A0A087WQC5_MOUSE Loading...

Amyloid beta precursor protein binding family B member 1

AlphaFold DB , UniProt , Accession A0A087WQC5, Species MOUSE (Mus musculus, Mouse), Gene Apbb1, Length 235 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M42Very low62.9Low154 Ų154147 Ų14776%0.75974%0.738SS**  0115.50-99.5165.265.500109.6K3M1-K3 PolarHBondContact O-N 3.35Å
2L39.3Very low64.5Low168 Ų168141.4 Ų141.488%0.8872%0.72SS**  trans-77.3114.2167.8-71.2164.2000107.4C4L2-C4 PolarHBondContact O-N 3.49Å
3K50.9Low65.7Low179 Ų179136.7 Ų136.778%0.77872%0.715SS**  trans-71.9105.5170.5-77.1175.6178.3169.20107.3M1M1-K3 PolarHBondContact O-N 3.35Å
4C54.2Low66.5Low113 Ų113138.5 Ų138.576%0.76471%0.714SS**  trans-80.9118.4172.4-63.50000108.8L2L2-C4 PolarHBondContact O-N 3.49Å
5H66.6Low67.5Low140 Ų140135.1 Ų135.165%0.64870%0.698SS**  trans-91.5114.9166.7-69.8-89.5000107.9F7H5-F7 HydrophobicContact CB-CD2 4.16Å; H5-F7 HydrophobicContact CB-CE2 3.43Å; H5-F7 VanDerWaalsContact CB-CE2 3.43Å; H5-F7 HydrophobicContact CB-CZ 3.81Å
6V70Confident68.5Low135 Ų135130.7 Ų130.782%0.81868%0.675SS**  trans-90.6105.1175.8-178.50000107.8
7F68.6Low69.3Low172 Ų172126.5 Ų126.575%0.75466%0.664SS**  trans-91.1126.1172.3-62.4-83.5000108.9H5H5-F7 HydrophobicContact CB-CD2 4.16Å; H5-F7 HydrophobicContact CB-CE2 3.43Å; H5-F7 VanDerWaalsContact CB-CE2 3.43Å; H5-F7 HydrophobicContact CB-CZ 3.81Å
8R67.6Low69.8Low240 Ų240122.8 Ų122.891%0.90665%0.648SS**  trans-78.2125.2167-80.2-173.6159.9110.1-2.6108.1
9C73Confident70.6Confident80 Ų80119.5 Ų119.554%0.54164%0.635SS.*  trans-124.8131.8175.8-171.70000108.1A11 I16C9-A11 PolarHBondContact O-N 3.46Å; C9-A11 PolarHBondContact SG-N 2.98Å; C9-I16 HydrophobicContact CB-CD1 3.87Å
10E79.6Confident71.5Confident190 Ų190118.5 Ų118.589%0.88863%0.63SS**SBendtrans-78.3-6.4176.3-62.9-61.7145.200112.2
11A80.4Confident72.2Confident46 Ų46119.4 Ų119.438%0.3863%0.63SS.*SBendtrans-81143.4176.500000111.5C9 A13 I16C9-A11 PolarHBondContact O-N 3.46Å; C9-A11 PolarHBondContact SG-N 2.98Å; A11-A13 PolarHBondContact O-N 3.05Å; A11-I16 HydrophobicContact CB-CD1 4.35Å; A11-I16 HydrophobicContact CB-CG1 4.27Å
12P82.5Confident74.3Confident80 Ų80118.3 Ų118.352%0.51962%0.623SS.*  trans-56.2132.2176.2-24.833.4000112K14 N15 I16P12-K14 PolarHBondContact O-N 3.02Å; P12-N15 PolarHBondContact O-N 3.47Å; P12-I16 PolarHBondContact O-N 2.96Å
13A79.9Confident76.5Confident80 Ų80115 Ų11566%0.66161%0.605SS**Hα-helixtrans-53.9-32.4-177.800000113.4A11 N15 I16 A17A11-A13 PolarHBondContact O-N 3.05Å; A13-N15 PolarHBondContact O-N 3.41Å; A13-I16 PolarHBondContact O-N 2.92Å; A13-A17 WeakPolarHBondContact O-CB 3.41Å; A13-A17 PolarHBondContact O-N 3.38Å
14K76.7Confident77.9Confident162 Ų162109.2 Ų109.270%0.70459%0.587SS**Hα-helixtrans-59-44.2175.5-174.7179.7178.3-176.80112.1P12 A17 T18P12-K14 PolarHBondContact O-N 3.02Å; K14-A17 PolarHBondContact O-N 2.97Å; K14-T18 WeakPolarHBondContact O-CG2 3.35Å; K14-T18 PolarHBondContact O-N 3.46Å; K14-T18 PolarHBondContact O-OG1 3.15Å
15N81.1Confident79.2Confident87 Ų87106.5 Ų106.547%0.46557%0.569SS.*Hα-helixtrans-69.5-39.6-177.4-65.31.6000110.8P12 A13 A17 T18 S19P12-N15 PolarHBondContact O-N 3.47Å; A13-N15 PolarHBondContact O-N 3.41Å; N15-A17 VanDerWaalsContact C-N 3.34Å; N15-T18 WeakPolarHBondContact CA-OG1 3.27Å; N15-T18 PolarHBondContact O-N 3.33Å; N15-T18 PolarHBondContact O-OG1 2.96Å; N15-S19 WeakPolarHBondContact O-CB 3.37Å; N15-S19 PolarHBondContact O-N 3.43Å; N15-S19 PolarHBondContact O-OG 3.23Å
16I83.1Confident79.9Confident65 Ų65106 Ų10633%0.33357%0.565SS.*Hα-helixtrans-61.5-46.5174.9-56.6173.5000109.7C9 A11 P12 A13 L20C9-I16 HydrophobicContact CB-CD1 3.87Å; A11-I16 HydrophobicContact CB-CD1 4.35Å; A11-I16 HydrophobicContact CB-CG1 4.27Å; P12-I16 PolarHBondContact O-N 2.96Å; A13-I16 PolarHBondContact O-N 2.92Å; I16-L20 HydrophobicContact CG2-CD1 3.9Å; I16-L20 HydrophobicContact CG2-CG 4.44Å; I16-L20 WeakPolarHBondContact O-CB 3.34Å; I16-L20 VanDerWaalsContact O-CG 3.27Å; I16-L20 WeakPolarHBondContact O-CG 3.46Å; I16-L20 PolarHBondContact O-N 3.42Å
17A82.3Confident80.5Confident59 Ų59103 Ų10349%0.48854%0.544SS..Hα-helixtrans-64.1-43.5179.500000112.5A13 K14 N15 H21A13-A17 WeakPolarHBondContact O-CB 3.41Å; A13-A17 PolarHBondContact O-N 3.38Å; K14-A17 PolarHBondContact O-N 2.97Å; N15-A17 VanDerWaalsContact C-N 3.34Å; A17-H21 VanDerWaalsContact O-CB 3.26Å; A17-H21 WeakPolarHBondContact O-CB 3.41Å; A17-H21 PolarHBondContact O-N 2.92Å
18T79.1Confident80.9Confident61 Ų61100.7 Ų100.737%0.37454%0.537SS..Hα-helixtrans-65.7-45.7178.246.80000111.6K14 N15 L20 H21 E22K14-T18 WeakPolarHBondContact O-CG2 3.35Å; K14-T18 PolarHBondContact O-N 3.46Å; K14-T18 PolarHBondContact O-OG1 3.15Å; N15-T18 WeakPolarHBondContact CA-OG1 3.27Å; N15-T18 PolarHBondContact O-N 3.33Å; N15-T18 PolarHBondContact O-OG1 2.96Å; T18-L20 PolarHBondContact O-N 2.91Å; T18-H21 PolarHBondContact O-N 2.96Å; T18-E22 WeakPolarHBondContact O-CG 2.99Å; T18-E22 PolarHBondContact O-N 3.48Å
19S85.1Confident81.2Confident59 Ų5991.9 Ų91.941%0.41351%0.512SS..Hα-helixtrans-65-40.7178.6-64.60000112.2N15 E22 I23N15-S19 WeakPolarHBondContact O-CB 3.37Å; N15-S19 PolarHBondContact O-N 3.43Å; N15-S19 PolarHBondContact O-OG 3.23Å; S19-E22 PolarHBondContact O-N 3.01Å; S19-I23 WeakPolarHBondContact O-CB 3.43Å; S19-I23 WeakPolarHBondContact O-CD1 3.5Å; S19-I23 WeakPolarHBondContact O-CG1 3.22Å; S19-I23 PolarHBondContact O-N 2.9Å
20L87.9Confident81.2Confident100 Ų10093 Ų9352%0.52451%0.509SS..Hα-helixtrans-63.5-42.4173.7-74.7173.4000111.6I16 T18 E22 I23 C24I16-L20 HydrophobicContact CG2-CD1 3.9Å; I16-L20 HydrophobicContact CG2-CG 4.44Å; I16-L20 WeakPolarHBondContact O-CB 3.34Å; I16-L20 VanDerWaalsContact O-CG 3.27Å; I16-L20 WeakPolarHBondContact O-CG 3.46Å; I16-L20 PolarHBondContact O-N 3.42Å; T18-L20 PolarHBondContact O-N 2.91Å; L20-E22 PolarHBondContact O-N 3.48Å; L20-I23 PolarHBondContact O-N 3.49Å; L20-C24 VanDerWaalsContact O-CB 3.29Å; L20-C24 WeakPolarHBondContact O-CB 3.16Å; L20-C24 PolarHBondContact O-N 2.88Å; L20-C24 PolarHBondContact O-SG 3.32Å
21H85.9Confident80.7Confident138 Ų13892 Ų9264%0.63950%0.497SS*.Hα-helixtrans-60.9-44.9177.2-175.977000111.7A17 T18 C24 S25A17-H21 VanDerWaalsContact O-CB 3.26Å; A17-H21 WeakPolarHBondContact O-CB 3.41Å; A17-H21 PolarHBondContact O-N 2.92Å; T18-H21 PolarHBondContact O-N 2.96Å; H21-C24 PolarHBondContact O-N 3.49Å; H21-S25 WeakPolarHBondContact O-CB 3.48Å; H21-S25 PolarHBondContact O-N 2.83Å
22E85.4Confident80.2Confident130 Ų13098.8 Ų98.861%0.60751%0.513SS*.Hα-helixtrans-61.6-47.8177-75171.3-173.900112T18 S19 L20 S25 K26T18-E22 WeakPolarHBondContact O-CG 2.99Å; T18-E22 PolarHBondContact O-N 3.48Å; S19-E22 PolarHBondContact O-N 3.01Å; L20-E22 PolarHBondContact O-N 3.48Å; E22-S25 PolarHBondContact O-N 3.4Å; E22-K26 WeakPolarHBondContact O-CB 3.34Å; E22-K26 PolarHBondContact O-N 3.35Å
23I87.1Confident79.1Confident99 Ų99100.4 Ų100.451%0.50852%0.517SS..Hα-helixtrans-62.6-47.2178.7-66.7164.9000110.5S19 L20 S25 K26 I27S19-I23 WeakPolarHBondContact O-CB 3.43Å; S19-I23 WeakPolarHBondContact O-CD1 3.5Å; S19-I23 WeakPolarHBondContact O-CG1 3.22Å; S19-I23 PolarHBondContact O-N 2.9Å; L20-I23 PolarHBondContact O-N 3.49Å; I23-S25 PolarHBondContact O-N 2.94Å; I23-K26 PolarHBondContact O-N 3.36Å; I23-I27 HydrophobicContact CG2-CD1 3.84Å; I23-I27 VanDerWaalsContact O-CG1 3.32Å; I23-I27 WeakPolarHBondContact O-CG1 3.26Å; I23-I27 PolarHBondContact O-N 3.3Å
24C79.4Confident78Confident57 Ų5799.1 Ų99.139%0.38551%0.507SS..Hα-helixtrans-64.3-40.6178.4-72.30000111.9L20 H21 I27 M28L20-C24 VanDerWaalsContact O-CB 3.29Å; L20-C24 WeakPolarHBondContact O-CB 3.16Å; L20-C24 PolarHBondContact O-N 2.88Å; L20-C24 PolarHBondContact O-SG 3.32Å; H21-C24 PolarHBondContact O-N 3.49Å; C24-I27 PolarHBondContact O-N 2.99Å; C24-M28 HydrophobicContact CB-CE 4.44Å; C24-M28 WeakPolarHBondContact O-CB 3.29Å; C24-M28 VanDerWaalsContact O-CG 3.28Å; C24-M28 WeakPolarHBondContact O-CG 3.32Å; C24-M28 PolarHBondContact O-N 3.38Å
25S81.1Confident76.9Confident57 Ų5799.6 Ų99.640%0.39950%0.504SS..Hα-helixtrans-62.3-43.7177.4-171.70000111.3H21 E22 I23 M28 S29H21-S25 WeakPolarHBondContact O-CB 3.48Å; H21-S25 PolarHBondContact O-N 2.83Å; E22-S25 PolarHBondContact O-N 3.4Å; I23-S25 PolarHBondContact O-N 2.94Å; S25-M28 PolarHBondContact O-N 2.94Å; S25-S29 PolarHBondContact O-N 2.94Å; S25-S29 PolarHBondContact O-OG 2.94Å
26K81.4Confident75.3Confident128 Ų128100.8 Ų100.856%0.55752%0.518SS*.Hα-helixtrans-62.6-46.8175.4-174.1175.1177.3179.40112.5E22 I23 M28 S29 E30E22-K26 WeakPolarHBondContact O-CB 3.34Å; E22-K26 PolarHBondContact O-N 3.35Å; I23-K26 PolarHBondContact O-N 3.36Å; K26-M28 VanDerWaalsContact C-N 3.3Å; K26-M28 PolarHBondContact O-N 3.31Å; K26-S29 PolarHBondContact O-N 2.83Å; K26-S29 PolarHBondContact O-OG 3.49Å; K26-E30 WeakPolarHBondContact CE-OE1 3.38Å; K26-E30 WeakPolarHBondContact CG-OE1 3.28Å; K26-E30 WeakPolarHBondContact O-CB 3.42Å; K26-E30 WeakPolarHBondContact O-CG 3.4Å; K26-E30 PolarHBondContact O-N 3.18Å
27I83.6Confident73.6Confident74 Ų74104.8 Ų104.838%0.37954%0.539SS..Hα-helixtrans-62.5-40.1177.3-67.3167.4000110.9I23 C24 R31I23-I27 HydrophobicContact CG2-CD1 3.84Å; I23-I27 VanDerWaalsContact O-CG1 3.32Å; I23-I27 WeakPolarHBondContact O-CG1 3.26Å; I23-I27 PolarHBondContact O-N 3.3Å; C24-I27 PolarHBondContact O-N 2.99Å; I27-R31 WeakPolarHBondContact O-CB 3.36Å; I27-R31 VanDerWaalsContact O-CG 3.31Å; I27-R31 WeakPolarHBondContact O-CG 3.44Å; I27-R31 PolarHBondContact O-N 3.05Å
28M77.2Confident71.7Confident123 Ų123106.9 Ų106.961%0.60655%0.546SS*.Hα-helixtrans-67.4-39.7178.7-75.8-170.1-69.600112.4C24 S25 K26 R32C24-M28 HydrophobicContact CB-CE 4.44Å; C24-M28 WeakPolarHBondContact O-CB 3.29Å; C24-M28 VanDerWaalsContact O-CG 3.28Å; C24-M28 WeakPolarHBondContact O-CG 3.32Å; C24-M28 PolarHBondContact O-N 3.38Å; S25-M28 PolarHBondContact O-N 2.94Å; K26-M28 VanDerWaalsContact C-N 3.3Å; K26-M28 PolarHBondContact O-N 3.31Å; M28-R32 WeakPolarHBondContact O-CB 3.47Å; M28-R32 PolarHBondContact O-N 2.83Å
29S72.4Confident70.1Confident55 Ų55111.5 Ų111.539%0.38557%0.568SS.*Hα-helixtrans-70.5-40.4177.167.40000112S25 K26 R32 N33S25-S29 PolarHBondContact O-N 2.94Å; S25-S29 PolarHBondContact O-OG 2.94Å; K26-S29 PolarHBondContact O-N 2.83Å; K26-S29 PolarHBondContact O-OG 3.49Å; S29-R32 WeakPolarHBondContact O-CB 3.33Å; S29-R32 PolarHBondContact O-N 3.23Å; S29-R32 VanDerWaalsContact O-N 3.15Å; S29-N33 PolarHBondContact O-N 2.93Å
30E73.4Confident68.2Low102 Ų102111.6 Ų111.648%0.47758%0.578SS.*Hα-helixtrans-62.8-42.5173.8-73.8172.8-178.900111.7K26 R32 N33 A34K26-E30 WeakPolarHBondContact CE-OE1 3.38Å; K26-E30 WeakPolarHBondContact CG-OE1 3.28Å; K26-E30 WeakPolarHBondContact O-CB 3.42Å; K26-E30 WeakPolarHBondContact O-CG 3.4Å; K26-E30 PolarHBondContact O-N 3.18Å; E30-R32 VanDerWaalsContact C-N 3.28Å; E30-R32 PolarHBondContact O-N 3.05Å; E30-N33 PolarHBondContact O-N 3.15Å; E30-A34 WeakPolarHBondContact O-CB 3.31Å; E30-A34 PolarHBondContact O-N 3.37Å
31R69.9Low66Low169 Ų169113.9 Ų113.964%0.63859%0.59SS**Hα-helixtrans-66.7-25.7173.9-76.6-177.8177.2-174.7-0.3113.6I27 R35I27-R31 WeakPolarHBondContact O-CB 3.36Å; I27-R31 VanDerWaalsContact O-CG 3.31Å; I27-R31 WeakPolarHBondContact O-CG 3.44Å; I27-R31 PolarHBondContact O-N 3.05Å; R31-R35 WeakPolarHBondContact O-CG 3.46Å; R31-R35 PolarHBondContact O-N 3.41Å; R31-R35 PolarHBondContact O-NE 3.41Å
32R68.6Low64.4Low190 Ų190113.3 Ų113.372%0.71760%0.602SS**Hα-helixtrans-76.1-41.8174.2-174.4175.2-176.7138.90.6110.6M28 S29 E30 R35 C36M28-R32 WeakPolarHBondContact O-CB 3.47Å; M28-R32 PolarHBondContact O-N 2.83Å; S29-R32 WeakPolarHBondContact O-CB 3.33Å; S29-R32 PolarHBondContact O-N 3.23Å; S29-R32 VanDerWaalsContact O-N 3.15Å; E30-R32 VanDerWaalsContact C-N 3.28Å; E30-R32 PolarHBondContact O-N 3.05Å; R32-R35 PolarHBondContact O-N 2.97Å; R32-C36 PolarHBondContact O-N 2.93Å
33N59.3Low62.3Low113 Ų113115 Ų11560%0.60461%0.614SS**Hα-helixtrans-70.9-39.3178.3-69.3-4.2000112.2S29 E30 R35 C36 L37S29-N33 PolarHBondContact O-N 2.93Å; E30-N33 PolarHBondContact O-N 3.15Å; N33-R35 PolarHBondContact O-N 3.13Å; N33-C36 WeakPolarHBondContact O-CB 3.4Å; N33-C36 PolarHBondContact O-N 2.85Å; N33-C36 VanDerWaalsContact O-N 3.13Å; N33-L37 PolarHBondContact O-N 3.3Å
34A57.5Low60Low53 Ų53116.5 Ų116.544%0.43862%0.623SS.*Hα-helixtrans-63-39.1174.500000112.1E30 C36 L37 V38E30-A34 WeakPolarHBondContact O-CB 3.31Å; E30-A34 PolarHBondContact O-N 3.37Å; A34-C36 VanDerWaalsContact C-N 3.26Å; A34-C36 PolarHBondContact O-N 2.95Å; A34-L37 PolarHBondContact O-N 3.26Å; A34-L37 VanDerWaalsContact O-N 3.13Å; A34-V38 VanDerWaalsContact O-CG2 3.22Å; A34-V38 WeakPolarHBondContact O-CG2 3.22Å; A34-V38 PolarHBondContact O-N 3.4Å; A34-V38 VanDerWaalsContact O-N 3.17Å
35R53.4Low58.4Low172 Ų172122.8 Ų122.865%0.64965%0.647SS**Hα-helixtrans-65-27.9173.8-82.8-178.4-83.5173.9-8.3113.3R31 R32 N33 L37R31-R35 WeakPolarHBondContact O-CG 3.46Å; R31-R35 PolarHBondContact O-N 3.41Å; R31-R35 PolarHBondContact O-NE 3.41Å; R32-R35 PolarHBondContact O-N 2.97Å; N33-R35 PolarHBondContact O-N 3.13Å; R35-L37 VanDerWaalsContact C-N 3.34Å
36C49.1Very low56.5Low112 Ų112124.3 Ų124.376%0.75766%0.657SS**Hα-helixtrans-73.4-26.1174.2-132.10000112.6R32 N33 A34R32-C36 PolarHBondContact O-N 2.93Å; N33-C36 WeakPolarHBondContact O-CB 3.4Å; N33-C36 PolarHBondContact O-N 2.85Å; N33-C36 VanDerWaalsContact O-N 3.13Å; A34-C36 VanDerWaalsContact C-N 3.26Å; A34-C36 PolarHBondContact O-N 2.95Å
37L45.4Very low54.6Low149 Ų149127.6 Ų127.678%0.7867%0.671SS**Hα-helixtrans-85-25.9178.7-160.171.2000113.1N33 A34 R35N33-L37 PolarHBondContact O-N 3.3Å; A34-L37 PolarHBondContact O-N 3.26Å; A34-L37 VanDerWaalsContact O-N 3.13Å; R35-L37 VanDerWaalsContact C-N 3.34Å
38V43.9Very low52.6Low104 Ų104132.2 Ų132.263%0.6370%0.696SS**Hα-helixtrans-85-13.6-174.8179.50000113.5A34 G40A34-V38 VanDerWaalsContact O-CG2 3.22Å; A34-V38 WeakPolarHBondContact O-CG2 3.22Å; A34-V38 PolarHBondContact O-N 3.4Å; A34-V38 VanDerWaalsContact O-N 3.17Å; V38-G40 PolarHBondContact O-N 3.13Å
39N44Very low50.9Low157 Ų157132.8 Ų132.884%0.8471%0.706SS**THydrogen-bonded Turntrans-72.8-3.5173.2-86.521.4000114
40G45.7Very low49.6Very low61 Ų61137 Ų13763%0.62972%0.724SS**THydrogen-bonded Turntrans-101.9-21.9-177.600000116.3V38V38-G40 PolarHBondContact O-N 3.13Å
41L42.8Very low48.2Very low148 Ų148137 Ų13778%0.77573%0.732SS**  trans-145115.9-174.8-68172.9000111.1L43L41-L43 PolarHBondContact O-N 3.17Å
42S51.5Low47Very low126 Ų126134.2 Ų134.288%0.88174%0.735SS**  trans-51.6120.2162.41780000109.1
43L41.7Very low45.8Very low165 Ų165133.2 Ų133.286%0.86474%0.736SS**  trans-137.7128.9167.6-15481.4000112.2L41L41-L43 PolarHBondContact O-N 3.17Å
44D38.8Very low45.3Very low131 Ų131137 Ų13770%0.70175%0.75SS**  trans-41.8134.2178.7-157.5-20.2000115.4S46D44-S46 PolarHBondContact O-N 3.36Å; D44-S46 VanDerWaalsContact O-N 3.15Å; D44-S46 PolarHBondContact OD1-OG 3.25Å
45H45Very low44.8Very low190 Ų190139.7 Ų139.788%0.8876%0.761SS**SBendtrans-84.718-166.5-146.9-46.3000114
46S41.8Very low44.3Very low88 Ų88139.7 Ų139.762%0.61577%0.769SS**  trans-99.90.8-153.8-59.40000116.9D44D44-S46 PolarHBondContact O-N 3.36Å; D44-S46 VanDerWaalsContact O-N 3.15Å; D44-S46 PolarHBondContact OD1-OG 3.25Å
47K41.1Very low43.9Very low197 Ų197142.8 Ų142.886%0.85777%0.769SS**  trans-149.459.2-176.9-64.7-168.9-178.3-1780116.1
48L42.7Very low44Very low172 Ų172140.8 Ų140.890%0.90177%0.765SS**  trans-126.7117.5159.4-139.879.6000110.1D50L48-D50 PolarHBondContact O-N 3.42Å
49V41.6Very low44.4Very low135 Ų135139 Ų13982%0.81876%0.762SS**  trans-57.9127.8176.9177.60000109V51V49-V51 PolarHBondContact O-N 3.21Å
50D44.5Very low44.4Very low142 Ų142137.8 Ų137.876%0.75976%0.762SS**  trans-62110.5-176.2-17225.6000111.3L48L48-D50 PolarHBondContact O-N 3.42Å
51V44.8Very low44.8Very low104 Ų104143.2 Ų143.263%0.6377%0.768SS**  trans-104.3111.8167.3178.80000106.5V49 F53V49-V51 PolarHBondContact O-N 3.21Å; V51-F53 HydrophobicContact CG1-CB 4.36Å; V51-F53 HydrophobicContact CG1-CD2 3.88Å; V51-F53 PolarHBondContact O-N 2.86Å
52P43.3Very low45.2Very low110 Ų110143.4 Ų143.471%0.71477%0.77SS**  trans-8269-177.934.6-33.5000109.2
53F45Very low45.7Very low169 Ų169142.4 Ų142.474%0.74175%0.752SS**  trans-112.956.4165.9-93.3-88.3000109.4V51 V55V51-F53 HydrophobicContact CG1-CB 4.36Å; V51-F53 HydrophobicContact CG1-CD2 3.88Å; V51-F53 PolarHBondContact O-N 2.86Å; F53-V55 HydrophobicContact CD1-CG2 4.13Å; F53-V55 PolarHBondContact O-N 3.28Å
54Q47.7Very low47.1Very low192 Ų192141.4 Ų141.490%0.89775%0.747SS**  trans-7865.2157.9-73.4-173.5-22.200109.1E56Q54-E56 PolarHBondContact O-N 3.48Å
55V46.3Very low49.4Very low110 Ų110138.8 Ų138.867%0.66774%0.735SS**  trans-83.684.8153.5-167.30000104.3F53 F57F53-V55 HydrophobicContact CD1-CG2 4.13Å; F53-V55 PolarHBondContact O-N 3.28Å; V55-F57 VanDerWaalsContact C-N 3.31Å; V55-F57 PolarHBondContact O-N 3.47Å
56E43.3Very low51.7Low172 Ų172134.6 Ų134.680%0.80472%0.716SS**  trans-59.7100.8171.8-170.7173-173.200106.8Q54 P58Q54-E56 PolarHBondContact O-N 3.48Å; E56-P58 WeakPolarHBondContact O-CD 3.39Å; E56-P58 VanDerWaalsContact O-N 3.14Å
57F41.9Very low54.3Low177 Ų177136 Ų13678%0.77671%0.711SS**  trans-56.8120.9171.5-134.7-94.3000105.2V55 A59V55-F57 VanDerWaalsContact C-N 3.31Å; V55-F57 PolarHBondContact O-N 3.47Å; F57-A59 PolarHBondContact O-N 2.82Å
58P47Very low57Low106 Ų106128 Ų12869%0.68868%0.676SS**  trans-54.3110.9-177.3-22.430.6000107.1E56E56-P58 WeakPolarHBondContact O-CD 3.39Å; E56-P58 VanDerWaalsContact O-N 3.14Å
59A51Low59.7Low68 Ų68126.9 Ų126.956%0.56267%0.666SS**  trans-51.9140.617000000106.2F57 K61F57-A59 PolarHBondContact O-N 2.82Å; A59-K61 VanDerWaalsContact C-N 3.34Å; A59-K61 PolarHBondContact O-N 3.15Å
60P44.8Very low62.4Low131 Ų131120.8 Ų120.885%0.85163%0.629SS**  trans-48.9106.5175-22.130.4000106.8N62P60-N62 PolarHBondContact O-N 3.2Å
61K54.1Low65Low174 Ų174117.7 Ų117.776%0.75761%0.608SS**  trans-61.1121.4176.4-76-177177.1-179.20103.1A59 E63A59-K61 VanDerWaalsContact C-N 3.34Å; A59-K61 PolarHBondContact O-N 3.15Å; K61-E63 HydrophobicContact CB-CG 4.43Å; K61-E63 PolarHBondContact O-N 3.29Å
62N50.5Low67.5Low152 Ų152113.5 Ų113.581%0.81358%0.581SS**  trans-63.683.6172.1-169.47.7000105.9P60 L64P60-N62 PolarHBondContact O-N 3.2Å; N62-L64 PolarHBondContact O-N 2.94Å
63E63.1Low70.1Confident106 Ų106109.1 Ų109.150%0.49555%0.551SS.*  trans-67.4124.2179.2-69.7-163.7159.800105.8K61 V65 P112K61-E63 HydrophobicContact CB-CG 4.43Å; K61-E63 PolarHBondContact O-N 3.29Å; E63-V65 VanDerWaalsContact C-N 3.33Å; E63-V65 PolarHBondContact O-N 3.32Å; E63-P112 HydrophobicContact CB-CG 4.2Å; E63-P112 HydrophobicContact CG-CG 4.43Å
64L70.5Confident72.6Confident144 Ų144102 Ų10275%0.75453%0.525SS*.  trans-64.996.7-179.3-64.6170.6000108.2N62N62-L64 PolarHBondContact O-N 2.94Å
65V86.7Confident75Confident76 Ų7696.7 Ų96.746%0.46150%0.503SS..  trans-93.7117.6172.2178.50000107.5E63 S109 A111E63-V65 VanDerWaalsContact C-N 3.33Å; E63-V65 PolarHBondContact O-N 3.32Å; V65-S109 WeakPolarHBondContact CG1-OG 3.15Å; V65-A111 HydrophobicContact CG2-CB 4.1Å
66Q94.6Very high77.5Confident102 Ų10293.7 Ų93.748%0.47749%0.485SS..EExtended strand (participates in β ladder)trans-100.6134.6176.4-65.7179.770.100109.5F68 S109 V110Q66-F68 HydrophobicContact CB-CD2 4.48Å; Q66-F68 HydrophobicContact CB-CE2 3.53Å; Q66-F68 HydrophobicContact CB-CZ 3.84Å; Q66-S109 CarbonylContact O-C 3.59Å; Q66-S109 WeakPolarHBondContact O-CA 3.28Å; Q66-V110 PolarHBondContact N-O 3.43Å; Q66-V110 VanDerWaalsContact N-O 3.15Å; Q66-V110 PolarHBondContact O-N 3.09Å
67K96.4Very high80.1Confident116 Ų11691 Ų9150%0.50448%0.483SS..EExtended strand (participates in β ladder)trans-112.1129.4176.9-72.2-169.2170.7-153.90110.1H107 V108 E123K67-H107 PolarHBondContact NZ-NE2 3.48Å; K67-V108 WeakPolarHBondContact CA-O 3.37Å; K67-E123 IonicContact NZ-OE1 3.78Å; K67-E123 IonicContact NZ-OE2 3.96Å; K67-E123 PolarHBondContact NZ-OE2 2.78Å
68F98.1Very high82.8Confident30 Ų3083.7 Ų83.713%0.13245%0.452CS..EExtended strand (participates in β ladder)trans-119125-179.6-60.9-89.9000110.4Q66 H107 V108 V110 L171 A174Q66-F68 HydrophobicContact CB-CD2 4.48Å; Q66-F68 HydrophobicContact CB-CE2 3.53Å; Q66-F68 HydrophobicContact CB-CZ 3.84Å; F68-H107 CarbonylContact O-C 3.45Å; F68-H107 WeakPolarHBondContact O-CA 3.01Å; F68-H107 WeakPolarHBondContact O-CB 3.38Å; F68-V108 PolarHBondContact N-O 3.2Å; F68-V108 PolarHBondContact O-N 3.06Å; F68-V110 HydrophobicContact CD2-CG2 3.89Å; F68-V110 HydrophobicContact CE2-CB 4.28Å; F68-V110 HydrophobicContact CE2-CG2 3.75Å; F68-L171 HydrophobicContact CB-CD1 4.07Å; F68-L171 HydrophobicContact CD1-CB 4.41Å; F68-L171 HydrophobicContact CD2-CD1 3.76Å; F68-L171 HydrophobicContact CE2-CD1 4.43Å; F68-L171 HydrophobicContact CG-CB 4.37Å; F68-L171 HydrophobicContact CG-CD1 3.92Å; F68-A174 HydrophobicContact CE1-CB 4.31Å; F68-A174 HydrophobicContact CE2-CB 3.52Å; F68-A174 HydrophobicContact CZ-CB 3.33Å
69Q98.1Very high85.1Confident148 Ų14883.3 Ų83.369%0.69246%0.458SS*.EExtended strand (participates in β ladder)trans-76.3128.3173.5-68.1-176.86.700110.1
70V98.4Very high87.4Confident7 Ų785.5 Ų85.54%0.04246%0.455CS..EExtended strand (participates in β ladder)trans-151170.6-177.5-65.30000110.1S106 V108 F162 W163 C164 L171V70-S106 PolarHBondContact N-O 3.4Å; V70-S106 CarbonylContact O-C 3.44Å; V70-S106 WeakPolarHBondContact O-CA 3.4Å; V70-S106 PolarHBondContact O-N 3.16Å; V70-V108 HydrophobicContact CG2-CG2 3.76Å; V70-F162 HydrophobicContact CG2-CD1 3.86Å; V70-W163 WeakPolarHBondContact CA-O 3.38Å; V70-W163 WeakPolarHBondContact CB-O 3.42Å; V70-C164 HydrophobicContact CG1-CB 4.29Å; V70-C164 VanDerWaalsContact CG1-SG 3.6Å; V70-L171 HydrophobicContact CG1-CD2 3.85Å
71Y98.6Very high89.9Confident77 Ų7781.5 Ų81.530%0.30243%0.429SS..EExtended strand (participates in β ladder)trans-101128.2162.6-61.2-97.2000109.2W103 P105 F162 W163Y71-W103 HydrophobicContact CD1-CB 4.19Å; Y71-W103 HydrophobicContact CG-CB 4.4Å; Y71-W103 HydrophobicContact CG-CE3 4.43Å; Y71-P105 HydrophobicContact CD1-CB 4.37Å; Y71-P105 HydrophobicContact CD1-CG 4.25Å; Y71-P105 HydrophobicContact CE1-CB 4.24Å; Y71-P105 HydrophobicContact CE1-CG 4.06Å; Y71-F162 CarbonylContact O-C 3.58Å; Y71-F162 VanDerWaalsContact O-CA 3.31Å; Y71-F162 WeakPolarHBondContact O-CA 3.31Å; Y71-W163 PolarHBondContact N-O 3.14Å; Y71-W163 PolarHBondContact O-N 3.22Å
72Y98.5Very high92Very high16 Ų1676.8 Ų76.86%0.06341%0.414CS..EExtended strand (participates in β ladder)trans-84.2121.5174-174.5-131.9000109.4G74 N75 T104 S106 I117 L126 H160 M161 F162Y72-G74 VanDerWaalsContact C-N 3.33Å; Y72-G74 WeakPolarHBondContact CE2-O 3.43Å; Y72-G74 VanDerWaalsContact CZ-CA 3.45Å; Y72-G74 VanDerWaalsContact CZ-O 3.29Å; Y72-G74 PolarHBondContact OH-O 2.79Å; Y72-N75 WeakPolarHBondContact OH-CB 3.38Å; Y72-N75 PolarHBondContact OH-N 2.74Å; Y72-N75 PolarHBondContact OH-ND2 3.03Å; Y72-T104 PolarHBondContact N-O 2.98Å; Y72-T104 PolarHBondContact O-N 2.72Å; Y72-S106 WeakPolarHBondContact CB-OG 3.45Å; Y72-I117 HydrophobicContact CD1-CG2 4.28Å; Y72-I117 HydrophobicContact CD2-CD1 4.4Å; Y72-I117 HydrophobicContact CD2-CG2 4.18Å; Y72-I117 HydrophobicContact CE2-CD1 3.9Å; Y72-I117 HydrophobicContact CG-CG2 4.01Å; Y72-L126 HydrophobicContact CD1-CB 4.45Å; Y72-L126 HydrophobicContact CD1-CD1 4.19Å; Y72-H160 HydrophobicContact CE2-CB 4.33Å; Y72-H160 AromaticContact CZ-ND1 3.88Å; Y72-H160 PolarHBondContact OH-ND1 3.21Å; Y72-M161 VanDerWaalsContact CD2-O 3.32Å; Y72-M161 WeakPolarHBondContact CD2-O 3.31Å; Y72-F162 AromaticContact CD2-CD1 3.73Å; Y72-F162 HydrophobicContact CD2-CD1 3.73Å; Y72-F162 AromaticContact CD2-CE1 3.38Å; Y72-F162 HydrophobicContact CD2-CE1 3.38Å; Y72-F162 AromaticContact CD2-CZ 3.94Å; Y72-F162 HydrophobicContact CD2-CZ 3.94Å; Y72-F162 AromaticContact CE2-CE1 3.88Å; Y72-F162 HydrophobicContact CE2-CE1 3.88Å; Y72-F162 AromaticContact CE2-CZ 3.95Å; Y72-F162 HydrophobicContact CE2-CZ 3.95Å; Y72-F162 HydrophobicContact CG-CE1 4.34Å
73L98.3Very high94.2Very high18 Ų1870.2 Ų70.29%0.09438%0.383CS..EExtended strand (participates in β ladder)trans-89.1-7.2-179.3-51.5-177.8000111.8L91 V94 L95 W103 M161 W163L73-L91 HydrophobicContact CD1-CD2 4.21Å; L73-V94 HydrophobicContact CB-CG1 4.22Å; L73-V94 HydrophobicContact CB-CG2 4.23Å; L73-V94 HydrophobicContact CD1-CG1 4.18Å; L73-V94 WeakPolarHBondContact O-CG2 3.39Å; L73-L95 HydrophobicContact CD1-CD2 4.13Å; L73-W103 HydrophobicContact CD2-CB 3.99Å; L73-W103 HydrophobicContact CD2-CD2 3.29Å; L73-W103 HydrophobicContact CD2-CE3 3.78Å; L73-W103 HydrophobicContact CD2-CG 3.38Å; L73-W103 HydrophobicContact CD2-CZ2 4.26Å; L73-W103 HydrophobicContact CD2-CZ3 4.43Å; L73-M161 HydrophobicContact CB-CB 3.98Å; L73-M161 WeakPolarHBondContact CB-O 3.27Å; L73-M161 HydrophobicContact CD1-CB 4.22Å; L73-M161 PolarHBondContact N-O 2.95Å; L73-W163 HydrophobicContact CD2-CB 4.13Å
74G97.6Very high95.9Very high19 Ų1969 Ų6920%0.19638%0.382CS..EExtended strand (participates in β ladder)trans102.1-162.1-175.700000112.7Y72 M161Y72-G74 VanDerWaalsContact C-N 3.33Å; Y72-G74 WeakPolarHBondContact CE2-O 3.43Å; Y72-G74 VanDerWaalsContact CZ-CA 3.45Å; Y72-G74 VanDerWaalsContact CZ-O 3.29Å; Y72-G74 PolarHBondContact OH-O 2.79Å; G74-M161 PolarHBondContact O-N 3.2Å; G74-M161 VanDerWaalsContact O-N 3.11Å
75N97.8Very high97.2Very high81 Ų8167 Ų6743%0.43337%0.373SS..EExtended strand (participates in β ladder)trans-141.8152176.963.986000111.4Y72 C158 C159Y72-N75 WeakPolarHBondContact OH-CB 3.38Å; Y72-N75 PolarHBondContact OH-N 2.74Å; Y72-N75 PolarHBondContact OH-ND2 3.03Å; N75-C158 VanDerWaalsContact CB-SG 3.58Å; N75-C158 PolarHBondContact OD1-SG 2.86Å; N75-C159 CarbonylContact C-O 3.54Å; N75-C159 WeakPolarHBondContact CA-O 3.47Å; N75-C159 VanDerWaalsContact CB-O 3.3Å; N75-C159 WeakPolarHBondContact CB-O 3.48Å
76V97.8Very high97.8Very high47 Ų4764.6 Ų64.629%0.28536%0.358SS..EExtended strand (participates in β ladder)trans-135.9145.9178.7-63.40000110.7V78 A90 C158 C159 M161V76-V78 HydrophobicContact CG2-CG1 4.36Å; V76-A90 HydrophobicContact CG2-CB 3.69Å; V76-C158 WeakPolarHBondContact O-CA 3.43Å; V76-C159 HydrophobicContact CG2-CB 4.32Å; V76-C159 PolarHBondContact N-O 3.26Å; V76-C159 PolarHBondContact O-N 3.34Å; V76-M161 HydrophobicContact CB-CE 4.39Å; V76-M161 HydrophobicContact CG1-CE 3.95Å; V76-M161 HydrophobicContact CG2-CE 3.77Å; V76-M161 HydrophobicContact CG2-SD 4.48Å
77P97.9Very high97.9Very high117 Ų11759.7 Ų59.776%0.7634%0.335SS*.EExtended strand (participates in β ladder)trans-65.4142.2171.728.6-33.8000110.4F157P77-F157 WeakPolarHBondContact CA-O 3.41Å
78V98.3Very high98Very high23 Ų2354.6 Ų54.614%0.13931%0.313CS..EExtended strand (participates in β ladder)trans-130.3148.7177.7-64.40000111.3V76 V86 A90 I149 F157 C159V76-V78 HydrophobicContact CG2-CG1 4.36Å; V78-V86 HydrophobicContact CB-CG1 3.69Å; V78-V86 HydrophobicContact CG1-CG1 3.9Å; V78-V86 HydrophobicContact CG2-CG1 4.15Å; V78-A90 HydrophobicContact CG1-CB 4.48Å; V78-I149 HydrophobicContact CG2-CD1 4.18Å; V78-I149 HydrophobicContact CG2-CG1 4.34Å; V78-I149 HydrophobicContact CG2-CG2 3.8Å; V78-F157 HydrophobicContact CG2-CB 3.65Å; V78-F157 PolarHBondContact N-O 2.82Å; V78-F157 WeakPolarHBondContact O-CB 3.31Å; V78-C159 HydrophobicContact CG1-CB 3.59Å; V78-C159 HydrophobicContact CG2-CB 4.28Å
79A96.4Very high98Very high97 Ų9755 Ų5580%0.80233%0.326SS*.SBendtrans-77.5-22.9-173.200000114
80K98.1Very high98Very high114 Ų11448.5 Ų48.550%0.49630%0.297SS..  trans-125.3147.4-174.7-62.4177.9-173.6170.50110.8V82 V86K80-V82 VanDerWaalsContact C-N 3.29Å; K80-V82 PolarHBondContact O-N 3.29Å; K80-V86 HydrophobicContact CB-CG2 4.03Å; K80-V86 HydrophobicContact CD-CG2 4.07Å; K80-V86 HydrophobicContact CG-CG2 4.49Å
81P97.9Very high98Very high47 Ų4748.3 Ų48.331%0.30530%0.296SS..SBendtrans-73.4-20.7178.627.4-33.1000113.7S135 F136 F157P81-S135 WeakPolarHBondContact O-CB 3.34Å; P81-S135 PolarHBondContact O-OG 3.07Å; P81-F136 VanDerWaalsContact O-CB 3.29Å; P81-F136 WeakPolarHBondContact O-CB 3.47Å; P81-F157 HydrophobicContact CB-CD1 3.82Å; P81-F157 HydrophobicContact CB-CE1 3.56Å; P81-F157 HydrophobicContact CB-CE2 4.36Å; P81-F157 HydrophobicContact CB-CG 4.36Å; P81-F157 HydrophobicContact CB-CZ 3.85Å; P81-F157 HydrophobicContact CG-CE1 4.29Å; P81-F157 HydrophobicContact CG-CE2 4.44Å; P81-F157 HydrophobicContact CG-CZ 4.07Å
82V98.4Very high98Very high75 Ų7549 Ų4946%0.45530%0.302SS..  trans-142.4153.6-173.4-58.30000109.8K80 F136K80-V82 VanDerWaalsContact C-N 3.29Å; K80-V82 PolarHBondContact O-N 3.29Å; V82-F136 HydrophobicContact CB-CB 4.28Å; V82-F136 HydrophobicContact CB-CD2 4.04Å; V82-F136 HydrophobicContact CB-CG 4.14Å; V82-F136 HydrophobicContact CG1-CB 4.08Å; V82-F136 HydrophobicContact CG1-CD2 4.16Å; V82-F136 HydrophobicContact CG1-CG 4.34Å
83G97.9Very high97.9Very high15 Ų1551.8 Ų51.816%0.15532%0.324CS..  trans141.1122.8174.700000112D85 V86 I87 F136G83-D85 VanDerWaalsContact CA-OD1 3.27Å; G83-D85 WeakPolarHBondContact CA-OD1 3.35Å; G83-D85 PolarHBondContact O-N 3.14Å; G83-V86 WeakPolarHBondContact O-CB 3.49Å; G83-V86 PolarHBondContact O-N 2.8Å; G83-I87 PolarHBondContact O-N 3.24Å; G83-I87 VanDerWaalsContact O-N 3.13Å; G83-F136 WeakPolarHBondContact O-CE1 3.09Å
84V97.5Very high97.8Very high79 Ų7951.9 Ų51.948%0.47933%0.325SS..Hα-helixtrans-65-35173.8177.10000110.2V86 N88 F136V84-V86 VanDerWaalsContact C-N 3.34Å; V84-N88 WeakPolarHBondContact CG1-ND2 3.48Å; V84-N88 WeakPolarHBondContact O-CB 3.28Å; V84-N88 PolarHBondContact O-N 3.3Å; V84-N88 PolarHBondContact O-ND2 3.22Å; V84-F136 HydrophobicContact CG2-CE1 4.15Å; V84-F136 HydrophobicContact CG2-CZ 3.73Å
85D98Very high97.7Very high104 Ų10453.6 Ų53.656%0.55633%0.329SS*.Hα-helixtrans-60.2-41.8171.459.6-44.1000112.1G83 N88 G89G83-D85 VanDerWaalsContact CA-OD1 3.27Å; G83-D85 WeakPolarHBondContact CA-OD1 3.35Å; G83-D85 PolarHBondContact O-N 3.14Å; D85-N88 PolarHBondContact O-N 3.48Å; D85-G89 PolarHBondContact O-N 3.41Å
86V98.4Very high97.6Very high24 Ų2454.5 Ų54.515%0.14534%0.342CS..Hα-helixtrans-65-47.4179.1-178.90000111V78 K80 G83 V84 A90 I149V78-V86 HydrophobicContact CB-CG1 3.69Å; V78-V86 HydrophobicContact CG1-CG1 3.9Å; V78-V86 HydrophobicContact CG2-CG1 4.15Å; K80-V86 HydrophobicContact CB-CG2 4.03Å; K80-V86 HydrophobicContact CD-CG2 4.07Å; K80-V86 HydrophobicContact CG-CG2 4.49Å; G83-V86 WeakPolarHBondContact O-CB 3.49Å; G83-V86 PolarHBondContact O-N 2.8Å; V84-V86 VanDerWaalsContact C-N 3.34Å; V86-A90 PolarHBondContact O-N 3.01Å; V86-A90 VanDerWaalsContact O-N 3.14Å; V86-I149 HydrophobicContact CB-CD1 4.47Å; V86-I149 HydrophobicContact CG1-CD1 4.03Å
87I98.3Very high97.3Very high0 Ų056.5 Ų56.50%036%0.358CS..Hα-helixtrans-61.9-49.1176.6-80.4-179.1000111G83 G89 A90 L91 F136 A138 A147 I149G83-I87 PolarHBondContact O-N 3.24Å; G83-I87 VanDerWaalsContact O-N 3.13Å; I87-G89 VanDerWaalsContact C-N 3.33Å; I87-G89 PolarHBondContact O-N 3.33Å; I87-A90 PolarHBondContact O-N 3.15Å; I87-L91 HydrophobicContact CG2-CD1 3.67Å; I87-L91 HydrophobicContact CG2-CG 4.41Å; I87-L91 WeakPolarHBondContact O-CG 3.3Å; I87-L91 PolarHBondContact O-N 2.92Å; I87-F136 HydrophobicContact CD1-CD1 3.41Å; I87-F136 VanDerWaalsContact CD1-CD1 3.41Å; I87-F136 HydrophobicContact CD1-CE1 3.65Å; I87-F136 HydrophobicContact CG1-CD1 4.1Å; I87-F136 HydrophobicContact CG1-CE1 4.33Å; I87-A138 HydrophobicContact CD1-CB 3.76Å; I87-A147 HydrophobicContact CD1-CB 4.23Å; I87-A147 HydrophobicContact CG1-CB 4.23Å; I87-A147 HydrophobicContact CG2-CB 3.68Å; I87-I149 HydrophobicContact CD1-CG1 4.39Å; I87-I149 HydrophobicContact CG1-CD1 4.09Å; I87-I149 HydrophobicContact CG1-CG1 4.09Å
88N98.4Very high97Very high9 Ų952.1 Ų52.15%0.04833%0.33CS..Hα-helixtrans-66.5-36.6-177.4-77.2-65.4000111.9V84 D85 A90 L91 E92 G140 R141V84-N88 WeakPolarHBondContact CG1-ND2 3.48Å; V84-N88 WeakPolarHBondContact O-CB 3.28Å; V84-N88 PolarHBondContact O-N 3.3Å; V84-N88 PolarHBondContact O-ND2 3.22Å; D85-N88 PolarHBondContact O-N 3.48Å; N88-A90 VanDerWaalsContact C-N 3.34Å; N88-A90 PolarHBondContact O-N 3.28Å; N88-L91 PolarHBondContact O-N 2.78Å; N88-E92 WeakPolarHBondContact O-CB 3.39Å; N88-E92 VanDerWaalsContact O-CG 3.28Å; N88-E92 WeakPolarHBondContact O-CG 3.26Å; N88-E92 PolarHBondContact O-N 2.81Å; N88-G140 VanDerWaalsContact OD1-CA 3.3Å; N88-G140 WeakPolarHBondContact OD1-CA 3.47Å; N88-R141 PolarHBondContact OD1-N 3.05Å
89G98.2Very high96.7Very high39 Ų3953.2 Ų53.240%0.40234%0.339SS..Hα-helixtrans-61.5-41173.300000112.7D85 I87 S93D85-G89 PolarHBondContact O-N 3.41Å; I87-G89 VanDerWaalsContact C-N 3.33Å; I87-G89 PolarHBondContact O-N 3.33Å; G89-S93 WeakPolarHBondContact O-CB 3.37Å; G89-S93 PolarHBondContact O-N 2.8Å; G89-S93 VanDerWaalsContact O-N 3.14Å
90A98.2Very high96.4Very high10 Ų1054 Ų548%0.08332%0.321CS..Hα-helixtrans-65.3-44.917500000112.2V76 V78 V86 I87 N88 S93 V94 C159 M161V76-A90 HydrophobicContact CG2-CB 3.69Å; V78-A90 HydrophobicContact CG1-CB 4.48Å; V86-A90 PolarHBondContact O-N 3.01Å; V86-A90 VanDerWaalsContact O-N 3.14Å; I87-A90 PolarHBondContact O-N 3.15Å; N88-A90 VanDerWaalsContact C-N 3.34Å; N88-A90 PolarHBondContact O-N 3.28Å; A90-S93 PolarHBondContact O-N 3.2Å; A90-V94 PolarHBondContact O-N 3.16Å; A90-V94 VanDerWaalsContact O-N 3.09Å; A90-C159 HydrophobicContact CB-CB 4.44Å; A90-M161 HydrophobicContact CB-SD 3.73Å
91L98.3Very high96.1Very high3 Ų356.2 Ų56.22%0.01633%0.333CS..Hα-helixtrans-62-47177.6-77167000112L73 I87 N88 S93 V94 L95 T145 A147 M161L73-L91 HydrophobicContact CD1-CD2 4.21Å; I87-L91 HydrophobicContact CG2-CD1 3.67Å; I87-L91 HydrophobicContact CG2-CG 4.41Å; I87-L91 WeakPolarHBondContact O-CG 3.3Å; I87-L91 PolarHBondContact O-N 2.92Å; N88-L91 PolarHBondContact O-N 2.78Å; L91-S93 VanDerWaalsContact C-N 3.29Å; L91-S93 PolarHBondContact O-N 2.68Å; L91-V94 VanDerWaalsContact O-CG1 3.28Å; L91-V94 WeakPolarHBondContact O-CG1 3.49Å; L91-V94 PolarHBondContact O-N 3.47Å; L91-L95 WeakPolarHBondContact O-CB 3.46Å; L91-L95 WeakPolarHBondContact O-CG 3.42Å; L91-L95 PolarHBondContact O-N 3.03Å; L91-T145 HydrophobicContact CD2-CG2 4.39Å; L91-A147 HydrophobicContact CD1-CB 4.35Å; L91-A147 HydrophobicContact CG-CB 4.48Å; L91-M161 HydrophobicContact CD2-CB 3.77Å; L91-M161 HydrophobicContact CD2-CG 3.74Å; L91-M161 HydrophobicContact CD2-SD 4.06Å; L91-M161 HydrophobicContact CG-CG 4.17Å; L91-M161 HydrophobicContact CG-SD 4.23Å
92E97.1Very high95.8Very high93 Ų9360.1 Ų60.144%0.43535%0.347SS..Hα-helixtrans-61.7-38.4178.1-74.1169.4-168.400111.6N88 S96 R141N88-E92 WeakPolarHBondContact O-CB 3.39Å; N88-E92 VanDerWaalsContact O-CG 3.28Å; N88-E92 WeakPolarHBondContact O-CG 3.26Å; N88-E92 PolarHBondContact O-N 2.81Å; E92-S96 VanDerWaalsContact O-CB 3.23Å; E92-S96 WeakPolarHBondContact O-CB 3.4Å; E92-S96 PolarHBondContact O-N 3.25Å; E92-S96 PolarHBondContact O-OG 2.9Å; E92-R141 IonicContact OE1-CZ 3.63Å; E92-R141 IonicContact OE1-NE 2.69Å; E92-R141 IonicContact OE1-NH1 3.84Å; E92-R141 PolarHBondContact OE1-NH1 2.77Å; E92-R141 IonicContact OE2-NH1 3.71Å
93S96.6Very high95.7Very high74 Ų7457.6 Ų57.652%0.51733%0.33SS..Hα-helixtrans-64.2-42.6175.6-172.50000112.9G89 A90 L91 S96 S97G89-S93 WeakPolarHBondContact O-CB 3.37Å; G89-S93 PolarHBondContact O-N 2.8Å; G89-S93 VanDerWaalsContact O-N 3.14Å; A90-S93 PolarHBondContact O-N 3.2Å; L91-S93 VanDerWaalsContact C-N 3.29Å; L91-S93 PolarHBondContact O-N 2.68Å; S93-S96 PolarHBondContact O-OG 3.02Å; S93-S96 VanDerWaalsContact O-OG 3.11Å; S93-S97 WeakPolarHBondContact O-CB 3.37Å; S93-S97 PolarHBondContact O-N 3.37Å; S93-S97 PolarHBondContact O-OG 2.82Å
94V96.3Very high95.7Very high19 Ų1959.3 Ų59.312%0.11534%0.337CS..Hα-helixtrans-74.8-39179.771.40000111.6L73 A90 L91 S96 S97 S98 M161L73-V94 HydrophobicContact CB-CG1 4.22Å; L73-V94 HydrophobicContact CB-CG2 4.23Å; L73-V94 HydrophobicContact CD1-CG1 4.18Å; L73-V94 WeakPolarHBondContact O-CG2 3.39Å; A90-V94 PolarHBondContact O-N 3.16Å; A90-V94 VanDerWaalsContact O-N 3.09Å; L91-V94 VanDerWaalsContact O-CG1 3.28Å; L91-V94 WeakPolarHBondContact O-CG1 3.49Å; L91-V94 PolarHBondContact O-N 3.47Å; V94-S96 VanDerWaalsContact C-N 3.34Å; V94-S96 PolarHBondContact O-N 2.86Å; V94-S97 PolarHBondContact O-N 2.95Å; V94-S97 PolarHBondContact O-OG 2.91Å; V94-S98 WeakPolarHBondContact O-CB 3.5Å; V94-S98 PolarHBondContact O-N 3.01Å; V94-S98 PolarHBondContact O-OG 3.45Å; V94-M161 HydrophobicContact CB-CE 4.23Å; V94-M161 HydrophobicContact CB-SD 4.47Å; V94-M161 HydrophobicContact CG1-CE 4.08Å; V94-M161 HydrophobicContact CG1-SD 3.8Å
95L95.7Very high95.7Very high55 Ų5557.5 Ų57.529%0.28833%0.327SS..Hα-helixtrans-71.1-29.1-179.5-66.6173.1000112.9L73 L91 W103 T145 W163L73-L95 HydrophobicContact CD1-CD2 4.13Å; L91-L95 WeakPolarHBondContact O-CB 3.46Å; L91-L95 WeakPolarHBondContact O-CG 3.42Å; L91-L95 PolarHBondContact O-N 3.03Å; L95-W103 HydrophobicContact CD2-CH2 3.87Å; L95-W103 HydrophobicContact CD2-CZ2 3.41Å; L95-W103 VanDerWaalsContact CD2-CZ2 3.41Å; L95-T145 HydrophobicContact CD1-CG2 3.94Å; L95-W163 HydrophobicContact CD2-CE3 4.31Å; L95-W163 HydrophobicContact CD2-CZ3 4.45Å
96S95.3Very high95.8Very high101 Ų10152.6 Ų52.671%0.70630%0.301SS*.Hα-helixtrans-77.1-22.8174.7570000113.6E92 S93 V94E92-S96 VanDerWaalsContact O-CB 3.23Å; E92-S96 WeakPolarHBondContact O-CB 3.4Å; E92-S96 PolarHBondContact O-N 3.25Å; E92-S96 PolarHBondContact O-OG 2.9Å; S93-S96 PolarHBondContact O-OG 3.02Å; S93-S96 VanDerWaalsContact O-OG 3.11Å; V94-S96 VanDerWaalsContact C-N 3.34Å; V94-S96 PolarHBondContact O-N 2.86Å
97S92.5Very high95.7Very high89 Ų8951.9 Ų51.962%0.62230%0.296SS*.Hα-helixtrans-104.3-14.8-174.759.20000114.3S93 V94S93-S97 WeakPolarHBondContact O-CB 3.37Å; S93-S97 PolarHBondContact O-N 3.37Å; S93-S97 PolarHBondContact O-OG 2.82Å; V94-S97 PolarHBondContact O-N 2.95Å; V94-S97 PolarHBondContact O-OG 2.91Å
98S91.3Very high95.7Very high24 Ų2452 Ų5217%0.16830%0.296CS..  trans-125141.9-178660000111.6V94 W103V94-S98 WeakPolarHBondContact O-CB 3.5Å; V94-S98 PolarHBondContact O-N 3.01Å; V94-S98 PolarHBondContact O-OG 3.45Å; S98-W103 PolarHBondContact OG-NE1 2.91Å
99S92.2Very high95.7Very high46 Ų4652.2 Ų52.232%0.32230%0.299SS..  trans-92.2162.1170.575.20000110.8E101 Q102 W103S99-E101 WeakPolarHBondContact CB-OE2 3.4Å; S99-E101 PolarHBondContact O-N 3.42Å; S99-E101 VanDerWaalsContact O-N 3.16Å; S99-E101 PolarHBondContact OG-OE2 3.4Å; S99-Q102 WeakPolarHBondContact O-CB 3.46Å; S99-Q102 PolarHBondContact O-N 2.89Å; S99-Q102 PolarHBondContact OG-NE2 2.82Å; S99-W103 VanDerWaalsContact O-CD1 3.31Å; S99-W103 PolarHBondContact O-NE1 3.18Å
100R90.2Very high95.7Very high115 Ų11550.6 Ų50.643%0.43428%0.281SS..G310 helixtrans-60.4-28.6-174.8-170.6167.4-177.51645.9113.2Q102 W103 E165R100-Q102 PolarHBondContact O-N 2.93Å; R100-W103 HydrophobicContact CB-CD2 4.45Å; R100-W103 HydrophobicContact CB-CE3 4.3Å; R100-W103 HydrophobicContact CB-CH2 4.4Å; R100-W103 HydrophobicContact CB-CZ3 4.28Å; R100-W103 HydrophobicContact CG-CD2 4.33Å; R100-W103 HydrophobicContact CG-CE3 3.75Å; R100-W103 HydrophobicContact CG-CH2 4.32Å; R100-W103 HydrophobicContact CG-CZ3 3.74Å; R100-W103 PolarHBondContact O-N 2.79Å; R100-E165 IonicContact CZ-OE1 3.95Å; R100-E165 IonicContact NH1-OE1 3.49Å; R100-E165 IonicContact NH2-OE1 2.71Å; R100-E165 PolarHBondContact NH2-OE1 3.2Å
101E90.8Very high95.5Very high160 Ų16050.8 Ų50.875%0.74828%0.282SS*.G310 helixtrans-69.3-20.7177.9-56.671.9-153.100112.8S99S99-E101 WeakPolarHBondContact CB-OE2 3.4Å; S99-E101 PolarHBondContact O-N 3.42Å; S99-E101 VanDerWaalsContact O-N 3.16Å; S99-E101 PolarHBondContact OG-OE2 3.4Å
102Q92.7Very high95Very high128 Ų12851.8 Ų51.860%0.59829%0.289SS*.G310 helixtrans-89.4-13.1179.9-59.2173.334.300112.3S99 R100S99-Q102 WeakPolarHBondContact O-CB 3.46Å; S99-Q102 PolarHBondContact O-N 2.89Å; S99-Q102 PolarHBondContact OG-NE2 2.82Å; R100-Q102 PolarHBondContact O-N 2.93Å
103W96.5Very high94.8Very high23 Ų2349.1 Ų49.19%0.08728%0.283CS..SBendtrans-73.4138.8-178.6-55.7-14.3000110.7Y71 L73 L95 S98 S99 R100 P105 W163Y71-W103 HydrophobicContact CD1-CB 4.19Å; Y71-W103 HydrophobicContact CG-CB 4.4Å; Y71-W103 HydrophobicContact CG-CE3 4.43Å; L73-W103 HydrophobicContact CD2-CB 3.99Å; L73-W103 HydrophobicContact CD2-CD2 3.29Å; L73-W103 HydrophobicContact CD2-CE3 3.78Å; L73-W103 HydrophobicContact CD2-CG 3.38Å; L73-W103 HydrophobicContact CD2-CZ2 4.26Å; L73-W103 HydrophobicContact CD2-CZ3 4.43Å; L95-W103 HydrophobicContact CD2-CH2 3.87Å; L95-W103 HydrophobicContact CD2-CZ2 3.41Å; L95-W103 VanDerWaalsContact CD2-CZ2 3.41Å; S98-W103 PolarHBondContact OG-NE1 2.91Å; S99-W103 VanDerWaalsContact O-CD1 3.31Å; S99-W103 PolarHBondContact O-NE1 3.18Å; R100-W103 HydrophobicContact CB-CD2 4.45Å; R100-W103 HydrophobicContact CB-CE3 4.3Å; R100-W103 HydrophobicContact CB-CH2 4.4Å; R100-W103 HydrophobicContact CB-CZ3 4.28Å; R100-W103 HydrophobicContact CG-CD2 4.33Å; R100-W103 HydrophobicContact CG-CE3 3.75Å; R100-W103 HydrophobicContact CG-CH2 4.32Å; R100-W103 HydrophobicContact CG-CZ3 3.74Å; R100-W103 PolarHBondContact O-N 2.79Å; W103-P105 VanDerWaalsContact O-CD 3.27Å; W103-P105 WeakPolarHBondContact O-CD 3.3Å; W103-W163 HydrophobicContact CE3-CB 3.97Å; W103-W163 HydrophobicContact CE3-CD2 4.46Å; W103-W163 HydrophobicContact CE3-CG 4.06Å; W103-W163 AromaticContact CH2-CD2 3.78Å; W103-W163 HydrophobicContact CH2-CD2 3.78Å; W103-W163 AromaticContact CH2-CE3 3.58Å; W103-W163 HydrophobicContact CH2-CE3 3.58Å; W103-W163 HydrophobicContact CH2-CG 4.23Å; W103-W163 HydrophobicContact CH2-CZ3 4.06Å; W103-W163 HydrophobicContact CZ3-CB 3.78Å; W103-W163 AromaticContact CZ3-CD1 3.98Å; W103-W163 AromaticContact CZ3-CD2 3.43Å; W103-W163 HydrophobicContact CZ3-CD2 3.43Å; W103-W163 VanDerWaalsContact CZ3-CD2 3.43Å; W103-W163 AromaticContact CZ3-CE3 3.74Å; W103-W163 HydrophobicContact CZ3-CE3 3.74Å; W103-W163 AromaticContact CZ3-CG 3.44Å; W103-W163 HydrophobicContact CZ3-CG 3.44Å; W103-W163 VanDerWaalsContact CZ3-CG 3.44Å
104T97.8Very high94.8Very high50 Ų5047.5 Ų47.531%0.30727%0.27SS..EExtended strand (participates in β ladder)trans-84.7114.2-172.1-58.80000110.7Y72 S106 L126Y72-T104 PolarHBondContact N-O 2.98Å; Y72-T104 PolarHBondContact O-N 2.72Å; T104-S106 PolarHBondContact O-N 3.28Å; T104-S106 PolarHBondContact O-OG 2.92Å; T104-L126 HydrophobicContact CG2-CD1 3.79Å
105P98.1Very high94.9Very high42 Ų4246.6 Ų46.627%0.27327%0.265SS..EExtended strand (participates in β ladder)trans-62.3122.1176.8-17.631.6000110Y71 W103 Q120Y71-P105 HydrophobicContact CD1-CB 4.37Å; Y71-P105 HydrophobicContact CD1-CG 4.25Å; Y71-P105 HydrophobicContact CE1-CB 4.24Å; Y71-P105 HydrophobicContact CE1-CG 4.06Å; W103-P105 VanDerWaalsContact O-CD 3.27Å; W103-P105 WeakPolarHBondContact O-CD 3.3Å; P105-Q120 HydrophobicContact CB-CB 4.18Å; P105-Q120 WeakPolarHBondContact O-CB 3.44Å; P105-Q120 PolarHBondContact O-N 2.87Å
106S98.4Very high95Very high0 Ų045.2 Ų45.20%026%0.258CS..EExtended strand (participates in β ladder)trans-142.6169.3-166.8-59.30000111.8V70 Y72 T104 L118 L126V70-S106 PolarHBondContact N-O 3.4Å; V70-S106 CarbonylContact O-C 3.44Å; V70-S106 WeakPolarHBondContact O-CA 3.4Å; V70-S106 PolarHBondContact O-N 3.16Å; Y72-S106 WeakPolarHBondContact CB-OG 3.45Å; T104-S106 PolarHBondContact O-N 3.28Å; T104-S106 PolarHBondContact O-OG 2.92Å; S106-L118 CarbonylContact C-O 3.6Å; S106-L118 WeakPolarHBondContact CA-O 3.41Å; S106-L118 VanDerWaalsContact CB-O 3.28Å; S106-L118 WeakPolarHBondContact CB-O 3.31Å; S106-L126 VanDerWaalsContact OG-CD1 3.3Å; S106-L126 WeakPolarHBondContact OG-CD1 3.29Å
107H97Very high95.2Very high9 Ų940.4 Ų40.44%0.04223%0.225CC..EExtended strand (participates in β ladder)trans-128.3144.8160.961.7-85.7000111.4K67 F68 L118 E123K67-H107 PolarHBondContact NZ-NE2 3.48Å; F68-H107 CarbonylContact O-C 3.45Å; F68-H107 WeakPolarHBondContact O-CA 3.01Å; F68-H107 WeakPolarHBondContact O-CB 3.38Å; H107-L118 WeakPolarHBondContact CE1-CB 3.33Å; H107-L118 PolarHBondContact N-O 2.95Å; H107-L118 WeakPolarHBondContact NE2-CB 3.45Å; H107-L118 WeakPolarHBondContact NE2-CD1 3.47Å; H107-L118 PolarHBondContact O-N 3.32Å; H107-E123 IonicContact CE1-OE1 3.26Å; H107-E123 PolarHBondContact CE1-OE1 3.29Å; H107-E123 IonicContact CE1-OE2 2.96Å; H107-E123 PolarHBondContact CE1-OE2 3.15Å; H107-E123 VanDerWaalsContact CE1-OE2 3.29Å; H107-E123 IonicContact ND1-OE1 3.29Å; H107-E123 IonicContact NE2-OE1 2.95Å; H107-E123 IonicContact NE2-OE2 3.58Å; H107-E123 PolarHBondContact NE2-OE2 3.02Å
108V98.5Very high95.4Very high2 Ų237.1 Ų37.11%0.01220%0.2CC..EExtended strand (participates in β ladder)trans-101.2116.1172.3-179.60000108.3K67 F68 V70 V110 T116 F162 L171K67-V108 WeakPolarHBondContact CA-O 3.37Å; F68-V108 PolarHBondContact N-O 3.2Å; F68-V108 PolarHBondContact O-N 3.06Å; V70-V108 HydrophobicContact CG2-CG2 3.76Å; V108-V110 HydrophobicContact CG1-CG2 4.04Å; V108-T116 CarbonylContact C-O 3.54Å; V108-T116 WeakPolarHBondContact CA-O 3.5Å; V108-F162 HydrophobicContact CG2-CD1 3.86Å; V108-F162 HydrophobicContact CG2-CE1 3.53Å; V108-F162 HydrophobicContact CG2-CZ 4.2Å; V108-L171 HydrophobicContact CB-CD1 4Å; V108-L171 HydrophobicContact CG1-CD1 3.96Å; V108-L171 HydrophobicContact CG2-CD2 4.4Å
109S98.1Very high95.8Very high14 Ų1437.9 Ų37.910%0.09820%0.201CC..EExtended strand (participates in β ladder)trans-90.1112.8172.1-174.20000109.3V65 Q66 L115 T116V65-S109 WeakPolarHBondContact CG1-OG 3.15Å; Q66-S109 CarbonylContact O-C 3.59Å; Q66-S109 WeakPolarHBondContact O-CA 3.28Å; S109-L115 CarbonylContact O-C 3.44Å; S109-L115 WeakPolarHBondContact O-CA 3.43Å; S109-T116 PolarHBondContact N-O 3.45Å; S109-T116 PolarHBondContact O-N 2.98Å
110V98Very high95.9Very high6 Ų639.3 Ų39.34%0.03620%0.203CC..EExtended strand (participates in β ladder)trans-99.5105.9-179.4-176.90000108.6Q66 F68 V108 L115 L171 A174 V175 A178Q66-V110 PolarHBondContact N-O 3.43Å; Q66-V110 VanDerWaalsContact N-O 3.15Å; Q66-V110 PolarHBondContact O-N 3.09Å; F68-V110 HydrophobicContact CD2-CG2 3.89Å; F68-V110 HydrophobicContact CE2-CB 4.28Å; F68-V110 HydrophobicContact CE2-CG2 3.75Å; V108-V110 HydrophobicContact CG1-CG2 4.04Å; V110-L115 HydrophobicContact CB-CD2 4.22Å; V110-L115 HydrophobicContact CG1-CD2 3.76Å; V110-L115 HydrophobicContact CG2-CD2 4.14Å; V110-L171 HydrophobicContact CG2-CD1 4.2Å; V110-A174 HydrophobicContact CG1-CB 4.44Å; V110-A174 HydrophobicContact CG2-CB 4.4Å; V110-V175 HydrophobicContact CG2-CG2 4.08Å; V110-A178 HydrophobicContact CG1-CB 3.83Å
111A94.4Very high96.1Very high13 Ų1341.8 Ų41.811%0.10722%0.219CC..  trans-109165.4173.400000110.6V65 A113 T114V65-A111 HydrophobicContact CG2-CB 4.1Å; A111-A113 PolarHBondContact O-N 3.03Å; A111-T114 WeakPolarHBondContact CA-O 3.37Å; A111-T114 WeakPolarHBondContact CB-O 3.3Å; A111-T114 PolarHBondContact N-O 3.25Å; A111-T114 PolarHBondContact O-N 2.87Å
112P88.4Confident96.3Very high25 Ų2538.6 Ų38.616%0.16221%0.211CC..SBendtrans-59.1-21.8-172.1-28.236.3000116.5E63E63-P112 HydrophobicContact CB-CG 4.2Å; E63-P112 HydrophobicContact CG-CG 4.43Å
113A92.3Very high96.4Very high37 Ų3736.9 Ų36.931%0.30620%0.203SC..SBendtrans-129.4-7.3-178.200000114A111 R130 V131A111-A113 PolarHBondContact O-N 3.03Å; A113-R130 WeakPolarHBondContact O-CA 3.43Å; A113-V131 PolarHBondContact O-N 2.95Å
114T96.4Very high96.4Very high40 Ų4038 Ų3825%0.24522%0.217CC..EExtended strand (participates in β ladder)trans-145.3136.9-170.650.60000110.1A111 C129 R130A111-T114 WeakPolarHBondContact CA-O 3.37Å; A111-T114 WeakPolarHBondContact CB-O 3.3Å; A111-T114 PolarHBondContact N-O 3.25Å; A111-T114 PolarHBondContact O-N 2.87Å; T114-C129 CarbonylContact C-O 3.57Å; T114-C129 WeakPolarHBondContact CA-O 3.15Å; T114-R130 HydrophobicContact CG2-CG 4.27Å
115L98.2Very high96.4Very high0 Ų040 Ų400%023%0.229CC..EExtended strand (participates in β ladder)trans-104.6128.6164.8-44.3175.6000106.7S109 V110 C129 V131 L134 F148 V175S109-L115 CarbonylContact O-C 3.44Å; S109-L115 WeakPolarHBondContact O-CA 3.43Å; V110-L115 HydrophobicContact CB-CD2 4.22Å; V110-L115 HydrophobicContact CG1-CD2 3.76Å; V110-L115 HydrophobicContact CG2-CD2 4.14Å; L115-C129 HydrophobicContact CB-CB 4.16Å; L115-C129 PolarHBondContact N-O 3.32Å; L115-C129 PolarHBondContact O-N 2.82Å; L115-V131 HydrophobicContact CD2-CG2 4.23Å; L115-V131 HydrophobicContact CG-CG2 4.3Å; L115-L134 HydrophobicContact CD1-CD1 3.94Å; L115-F148 HydrophobicContact CD1-CD1 4.47Å; L115-F148 HydrophobicContact CD1-CE1 4.06Å; L115-F148 HydrophobicContact CD1-CZ 4.09Å; L115-V175 HydrophobicContact CD1-CG1 3.7Å; L115-V175 HydrophobicContact CD1-CG2 4.18Å; L115-V175 HydrophobicContact CD2-CG1 4.37Å; L115-V175 HydrophobicContact CD2-CG2 4.2Å
116T98.3Very high96.4Very high25 Ų2541.1 Ų41.115%0.15323%0.232CC..EExtended strand (participates in β ladder)trans-118.5127.5177.2-48.70000108.5V108 S109 L118 V125V108-T116 CarbonylContact C-O 3.54Å; V108-T116 WeakPolarHBondContact CA-O 3.5Å; S109-T116 PolarHBondContact N-O 3.45Å; S109-T116 PolarHBondContact O-N 2.98Å; T116-L118 HydrophobicContact CG2-CD1 3.64Å; T116-L118 HydrophobicContact CG2-CD2 4.43Å; T116-L118 HydrophobicContact CG2-CG 3.91Å; T116-L118 WeakPolarHBondContact O-CD1 3.29Å; T116-V125 HydrophobicContact CG2-CG1 3.99Å; T116-V125 HydrophobicContact CG2-CG2 4.33Å
117I98.6Very high96.3Very high0 Ų041.8 Ų41.80%024%0.239CC..EExtended strand (participates in β ladder)trans-99.4121.3176.5-48.9163.5000106.2Y72 L126 G127 F162Y72-I117 HydrophobicContact CD1-CG2 4.28Å; Y72-I117 HydrophobicContact CD2-CD1 4.4Å; Y72-I117 HydrophobicContact CD2-CG2 4.18Å; Y72-I117 HydrophobicContact CE2-CD1 3.9Å; Y72-I117 HydrophobicContact CG-CG2 4.01Å; I117-L126 HydrophobicContact CB-CB 4.34Å; I117-L126 HydrophobicContact CG2-CB 4.09Å; I117-L126 HydrophobicContact CG2-CD1 4.31Å; I117-L126 PolarHBondContact O-N 2.79Å; I117-G127 PolarHBondContact N-O 2.78Å; I117-G127 PolarHBondContact O-N 3.15Å; I117-F162 HydrophobicContact CD1-CE1 3.92Å; I117-F162 HydrophobicContact CD1-CZ 3.59Å; I117-F162 HydrophobicContact CG1-CE1 3.95Å; I117-F162 HydrophobicContact CG1-CZ 3.92Å; I117-F162 HydrophobicContact CG2-CE1 4.03Å
118L98.3Very high96.3Very high20 Ų2047 Ų4711%0.10526%0.263CS..EExtended strand (participates in β ladder)trans-126.6142.6-175.8-60.3101.4000110.3S106 H107 T116 A124 V125S106-L118 CarbonylContact C-O 3.6Å; S106-L118 WeakPolarHBondContact CA-O 3.41Å; S106-L118 VanDerWaalsContact CB-O 3.28Å; S106-L118 WeakPolarHBondContact CB-O 3.31Å; H107-L118 WeakPolarHBondContact CE1-CB 3.33Å; H107-L118 PolarHBondContact N-O 2.95Å; H107-L118 WeakPolarHBondContact NE2-CB 3.45Å; H107-L118 WeakPolarHBondContact NE2-CD1 3.47Å; H107-L118 PolarHBondContact O-N 3.32Å; T116-L118 HydrophobicContact CG2-CD1 3.64Å; T116-L118 HydrophobicContact CG2-CD2 4.43Å; T116-L118 HydrophobicContact CG2-CG 3.91Å; T116-L118 WeakPolarHBondContact O-CD1 3.29Å; L118-A124 CarbonylContact C-O 3.55Å; L118-A124 VanDerWaalsContact CA-O 3.31Å; L118-A124 WeakPolarHBondContact CA-O 3.36Å; L118-V125 HydrophobicContact CD2-CG2 4.35Å
119H97.9Very high96.3Very high41 Ų4147 Ų4719%0.1926%0.264CS..EExtended strand (participates in β ladder)trans-64.1135172-174.4-100.6000110.3Q121 T122 E123 A124 L126H119-Q121 PolarHBondContact ND1-N 3.42Å; H119-Q121 PolarHBondContact O-N 2.99Å; H119-T122 WeakPolarHBondContact CB-OG1 3.21Å; H119-T122 PolarHBondContact ND1-N 3.48Å; H119-T122 PolarHBondContact ND1-OG1 3.15Å; H119-E123 WeakPolarHBondContact O-CA 3.43Å; H119-E123 PolarHBondContact O-N 3.01Å; H119-A124 HydrophobicContact CB-CB 4.27Å; H119-A124 PolarHBondContact N-O 3Å; H119-L126 HydrophobicContact CB-CD1 4.19Å; H119-L126 HydrophobicContact CB-CD2 4.28Å; H119-L126 HydrophobicContact CB-CG 4.26Å
120Q94.9Very high96.2Very high75 Ų7552.8 Ų52.835%0.3528%0.283SS..THydrogen-bonded Turntrans-63.5-35.3-169.6-178.8176.6-13.200113.9P105P105-Q120 HydrophobicContact CB-CB 4.18Å; P105-Q120 WeakPolarHBondContact O-CB 3.44Å; P105-Q120 PolarHBondContact O-N 2.87Å
121Q93.8Very high96.1Very high167 Ų16752.9 Ų52.978%0.7828%0.284SS*.THydrogen-bonded Turntrans-95.3-34.5-174.7-64.4174.4-1.400113.4H119H119-Q121 PolarHBondContact ND1-N 3.42Å; H119-Q121 PolarHBondContact O-N 2.99Å
122T95.6Very high96.2Very high93 Ų9360.2 Ų60.257%0.57131%0.309SS*.THydrogen-bonded Turntrans-103-9.2-171.257.70000112.6H119 A124H119-T122 WeakPolarHBondContact CB-OG1 3.21Å; H119-T122 PolarHBondContact ND1-N 3.48Å; H119-T122 PolarHBondContact ND1-OG1 3.15Å; T122-A124 PolarHBondContact O-N 2.92Å; T122-A124 WeakPolarHBondContact OG1-CB 3.08Å; T122-A124 PolarHBondContact OG1-N 3.43Å
123E93.9Very high96.6Very high93 Ų9363.1 Ų63.144%0.43532%0.319SS..  trans52.720.7-170.4-60.1-83.214100112.6K67 H107 H119 V125K67-E123 IonicContact NZ-OE1 3.78Å; K67-E123 IonicContact NZ-OE2 3.96Å; K67-E123 PolarHBondContact NZ-OE2 2.78Å; H107-E123 IonicContact CE1-OE1 3.26Å; H107-E123 PolarHBondContact CE1-OE1 3.29Å; H107-E123 IonicContact CE1-OE2 2.96Å; H107-E123 PolarHBondContact CE1-OE2 3.15Å; H107-E123 VanDerWaalsContact CE1-OE2 3.29Å; H107-E123 IonicContact ND1-OE1 3.29Å; H107-E123 IonicContact NE2-OE1 2.95Å; H107-E123 IonicContact NE2-OE2 3.58Å; H107-E123 PolarHBondContact NE2-OE2 3.02Å; H119-E123 WeakPolarHBondContact O-CA 3.43Å; H119-E123 PolarHBondContact O-N 3.01Å; E123-V125 PolarHBondContact O-N 2.9Å
124A97Very high96.9Very high47 Ų4762.6 Ų62.639%0.38831%0.311SS..  trans-67.9132.6176.400000109.6L118 H119 T122 L126L118-A124 CarbonylContact C-O 3.55Å; L118-A124 VanDerWaalsContact CA-O 3.31Å; L118-A124 WeakPolarHBondContact CA-O 3.36Å; H119-A124 HydrophobicContact CB-CB 4.27Å; H119-A124 PolarHBondContact N-O 3Å; T122-A124 PolarHBondContact O-N 2.92Å; T122-A124 WeakPolarHBondContact OG1-CB 3.08Å; T122-A124 PolarHBondContact OG1-N 3.43Å; A124-L126 PolarHBondContact O-N 2.89Å
125V97.6Very high96.9Very high91 Ų9162.7 Ų62.755%0.55231%0.313SS*.EExtended strand (participates in β ladder)trans-73111.5-179.9-179.60000109.5T116 L118 E123T116-V125 HydrophobicContact CG2-CG1 3.99Å; T116-V125 HydrophobicContact CG2-CG2 4.33Å; L118-V125 HydrophobicContact CD2-CG2 4.35Å; E123-V125 PolarHBondContact O-N 2.9Å
126L97.8Very high96.9Very high65 Ų6565 Ų6534%0.3432%0.323SS..EExtended strand (participates in β ladder)trans-85.7-26176.3-57.8177.5000111.8Y72 T104 S106 I117 H119 A124Y72-L126 HydrophobicContact CD1-CB 4.45Å; Y72-L126 HydrophobicContact CD1-CD1 4.19Å; T104-L126 HydrophobicContact CG2-CD1 3.79Å; S106-L126 VanDerWaalsContact OG-CD1 3.3Å; S106-L126 WeakPolarHBondContact OG-CD1 3.29Å; I117-L126 HydrophobicContact CB-CB 4.34Å; I117-L126 HydrophobicContact CG2-CB 4.09Å; I117-L126 HydrophobicContact CG2-CD1 4.31Å; I117-L126 PolarHBondContact O-N 2.79Å; H119-L126 HydrophobicContact CB-CD1 4.19Å; H119-L126 HydrophobicContact CB-CD2 4.28Å; H119-L126 HydrophobicContact CB-CG 4.26Å; A124-L126 PolarHBondContact O-N 2.89Å
127G97Very high97Very high14 Ų1465.6 Ų65.614%0.14433%0.326CS..EExtended strand (participates in β ladder)trans-172.4149.2175.300000113I117I117-G127 PolarHBondContact N-O 2.78Å; I117-G127 PolarHBondContact O-N 3.15Å
128E97.3Very high97Very high119 Ų11966.3 Ų66.356%0.55633%0.331SS*.EExtended strand (participates in β ladder)trans-125.4119.6174.3-171-172.7130.900109.7
129C97.8Very high97Very high3 Ų368 Ų682%0.0234%0.342CS..EExtended strand (participates in β ladder)trans-119.4110.2-173-63.60000109.5T114 L115 V131 F148 M150T114-C129 CarbonylContact C-O 3.57Å; T114-C129 WeakPolarHBondContact CA-O 3.15Å; L115-C129 HydrophobicContact CB-CB 4.16Å; L115-C129 PolarHBondContact N-O 3.32Å; L115-C129 PolarHBondContact O-N 2.82Å; C129-V131 PolarHBondContact O-N 3.09Å; C129-F148 HydrophobicContact CB-CE2 3.94Å; C129-F148 HydrophobicContact CB-CZ 4.16Å; C129-M150 HydrophobicContact CB-CE 3.67Å; C129-M150 HydrophobicContact CB-CG 4.25Å; C129-M150 HydrophobicContact CB-SD 3.77Å
130R96.7Very high97Very high134 Ų13466.6 Ų66.651%0.50634%0.339SS..EExtended strand (participates in β ladder)trans-75.4126.9176.6-61-173.7173.6165.3-1.1110.4A113 T114 R132 F133 M150A113-R130 WeakPolarHBondContact O-CA 3.43Å; T114-R130 HydrophobicContact CG2-CG 4.27Å; R130-R132 HydrophobicContact CB-CG 4.05Å; R130-R132 PolarHBondContact O-N 2.8Å; R130-F133 HydrophobicContact CB-CD2 3.86Å; R130-F133 HydrophobicContact CB-CE2 4.35Å; R130-F133 PolarHBondContact O-N 3.26Å; R130-M150 WeakPolarHBondContact O-CE 3.38Å
131V96.7Very high97.1Very high9 Ų972.1 Ų72.16%0.05536%0.357CS..G310 helixtrans-52.1-33.4-178.5173.10000112.5A113 L115 C129 F133 L134 A178 C179 R182A113-V131 PolarHBondContact O-N 2.95Å; L115-V131 HydrophobicContact CD2-CG2 4.23Å; L115-V131 HydrophobicContact CG-CG2 4.3Å; C129-V131 PolarHBondContact O-N 3.09Å; V131-F133 PolarHBondContact O-N 2.96Å; V131-F133 VanDerWaalsContact O-N 3.16Å; V131-L134 WeakPolarHBondContact O-CB 3.31Å; V131-L134 PolarHBondContact O-N 3.47Å; V131-A178 HydrophobicContact CG2-CB 4.45Å; V131-C179 HydrophobicContact CG1-CB 4.3Å; V131-R182 HydrophobicContact CB-CG 4.48Å; V131-R182 HydrophobicContact CG1-CB 3.8Å; V131-R182 HydrophobicContact CG1-CG 4.02Å
132R95.3Very high97.3Very high167 Ų16767.2 Ų67.263%0.6334%0.336SS*.G310 helixtrans-63.7-17.6177.969.9176-66.6173.30.2115.3R130R130-R132 HydrophobicContact CB-CG 4.05Å; R130-R132 PolarHBondContact O-N 2.8Å
133F96.9Very high97.4Very high86 Ų8666.9 Ų66.938%0.37733%0.334SS..G310 helixtrans-110.4-0.1-179.8-59.4-53.2000111.9R130 V131 S135 M150 A151R130-F133 HydrophobicContact CB-CD2 3.86Å; R130-F133 HydrophobicContact CB-CE2 4.35Å; R130-F133 PolarHBondContact O-N 3.26Å; V131-F133 PolarHBondContact O-N 2.96Å; V131-F133 VanDerWaalsContact O-N 3.16Å; F133-S135 PolarHBondContact O-N 3.29Å; F133-M150 HydrophobicContact CB-CE 3.84Å; F133-M150 WeakPolarHBondContact O-CA 3.49Å; F133-A151 PolarHBondContact O-N 3.17Å
134L98.1Very high97.6Very high26 Ų2664.8 Ų64.814%0.13632%0.323CS..EExtended strand (participates in β ladder)trans-71.9114.9170.5-170.3157.9000107.7L115 V131 F136 L137 F148 I149 M150 V175L115-L134 HydrophobicContact CD1-CD1 3.94Å; V131-L134 WeakPolarHBondContact O-CB 3.31Å; V131-L134 PolarHBondContact O-N 3.47Å; L134-F136 WeakPolarHBondContact CD2-O 3.46Å; L134-L137 HydrophobicContact CD1-CD2 4.48Å; L134-L137 HydrophobicContact CD2-CB 4.23Å; L134-L137 HydrophobicContact CD2-CD2 3.93Å; L134-L137 HydrophobicContact CD2-CG 4.49Å; L134-F148 HydrophobicContact CD1-CB 3.91Å; L134-F148 HydrophobicContact CD1-CD2 4.06Å; L134-F148 HydrophobicContact CD1-CG 3.98Å; L134-F148 HydrophobicContact CG-CB 4.18Å; L134-F148 HydrophobicContact CG-CD2 4.38Å; L134-I149 WeakPolarHBondContact CA-O 3.4Å; L134-M150 HydrophobicContact CB-SD 3.82Å; L134-M150 HydrophobicContact CG-SD 4.24Å; L134-V175 HydrophobicContact CD1-CG1 3.77Å
135S97.8Very high97.7Very high42 Ų4262.6 Ų62.629%0.29431%0.306SS..EExtended strand (participates in β ladder)trans-95.1-28.3-178560000112.7P81 F133 I149P81-S135 WeakPolarHBondContact O-CB 3.34Å; P81-S135 PolarHBondContact O-OG 3.07Å; F133-S135 PolarHBondContact O-N 3.29Å; S135-I149 PolarHBondContact N-O 3.32Å; S135-I149 WeakPolarHBondContact OG-CG2 3.08Å; S135-I149 PolarHBondContact OG-O 2.92Å
136F98.6Very high97.7Very high48 Ų4858.3 Ų58.321%0.21128%0.28CS..EExtended strand (participates in β ladder)trans-155.4151.4-179-164.9-120.1000111.4P81 V82 G83 V84 I87 L134 A138 F148 I149P81-F136 VanDerWaalsContact O-CB 3.29Å; P81-F136 WeakPolarHBondContact O-CB 3.47Å; V82-F136 HydrophobicContact CB-CB 4.28Å; V82-F136 HydrophobicContact CB-CD2 4.04Å; V82-F136 HydrophobicContact CB-CG 4.14Å; V82-F136 HydrophobicContact CG1-CB 4.08Å; V82-F136 HydrophobicContact CG1-CD2 4.16Å; V82-F136 HydrophobicContact CG1-CG 4.34Å; G83-F136 WeakPolarHBondContact O-CE1 3.09Å; V84-F136 HydrophobicContact CG2-CE1 4.15Å; V84-F136 HydrophobicContact CG2-CZ 3.73Å; I87-F136 HydrophobicContact CD1-CD1 3.41Å; I87-F136 VanDerWaalsContact CD1-CD1 3.41Å; I87-F136 HydrophobicContact CD1-CE1 3.65Å; I87-F136 HydrophobicContact CG1-CD1 4.1Å; I87-F136 HydrophobicContact CG1-CE1 4.33Å; L134-F136 WeakPolarHBondContact CD2-O 3.46Å; F136-A138 HydrophobicContact CE1-CB 4.09Å; F136-A138 HydrophobicContact CZ-CB 4.42Å; F136-F148 CarbonylContact O-C 3.59Å; F136-F148 WeakPolarHBondContact O-CA 3.48Å; F136-F148 VanDerWaalsContact O-CB 3.31Å; F136-F148 WeakPolarHBondContact O-CB 3.32Å; F136-I149 HydrophobicContact CB-CB 4.19Å; F136-I149 HydrophobicContact CB-CD1 4.18Å; F136-I149 HydrophobicContact CB-CG1 4.32Å; F136-I149 HydrophobicContact CD1-CD1 4.2Å; F136-I149 PolarHBondContact O-N 3.31Å
137L98.6Very high97.8Very high38 Ų3855.2 Ų55.220%0.19926%0.263CS..EExtended strand (participates in β ladder)trans-145.5147.417165.494.6000109.3L134 F146 A147 F148 V175L134-L137 HydrophobicContact CD1-CD2 4.48Å; L134-L137 HydrophobicContact CD2-CB 4.23Å; L134-L137 HydrophobicContact CD2-CD2 3.93Å; L134-L137 HydrophobicContact CD2-CG 4.49Å; L137-F146 HydrophobicContact CB-CE2 4.28Å; L137-F146 HydrophobicContact CB-CZ 4.23Å; L137-F146 HydrophobicContact CD1-CE2 4.17Å; L137-A147 WeakPolarHBondContact CA-O 3.27Å; L137-F148 HydrophobicContact CB-CB 3.81Å; L137-V175 HydrophobicContact CD2-CG1 3.97Å
138A98.5Very high97.9Very high14 Ų1454.6 Ų54.612%0.11626%0.257CS..EExtended strand (participates in β ladder)trans-158.1151.6174.300000111.5I87 F136 F146 A147I87-A138 HydrophobicContact CD1-CB 3.76Å; F136-A138 HydrophobicContact CE1-CB 4.09Å; F136-A138 HydrophobicContact CZ-CB 4.42Å; A138-F146 VanDerWaalsContact O-CD2 3.31Å; A138-F146 WeakPolarHBondContact O-CD2 3.35Å; A138-A147 PolarHBondContact N-O 2.9Å; A138-A147 PolarHBondContact O-N 3.45Å
139V98.6Very high98Very high55 Ų5549 Ų4933%0.33323%0.23SC..EExtended strand (participates in β ladder)trans-75.2136.4156.5-179.70000107.3T145 F146 A168V139-T145 WeakPolarHBondContact CA-O 3.49Å; V139-T145 WeakPolarHBondContact CG1-O 3.42Å; V139-F146 HydrophobicContact CG2-CD2 4.37Å; V139-A168 HydrophobicContact CG1-CB 4.1Å; V139-A168 HydrophobicContact CG2-CB 3.94Å
140G97.8Very high98Very high12 Ų1249.6 Ų49.612%0.12423%0.233CC..  trans-72.1-174178.600000112.6N88 D142 T145N88-G140 VanDerWaalsContact OD1-CA 3.3Å; N88-G140 WeakPolarHBondContact OD1-CA 3.47Å; G140-D142 PolarHBondContact O-N 2.86Å; G140-T145 VanDerWaalsContact CA-OG1 3.27Å; G140-T145 WeakPolarHBondContact CA-OG1 3.34Å; G140-T145 PolarHBondContact N-O 2.66Å; G140-T145 PolarHBondContact N-OG1 3.2Å
141R97.7Very high98Very high191 Ų19144.7 Ų44.772%0.72122%0.221SC*.SBendtrans-59.4-36.5173.6-73.4171.5179.8168.9-2.7111.8N88 E92N88-R141 PolarHBondContact OD1-N 3.05Å; E92-R141 IonicContact OE1-CZ 3.63Å; E92-R141 IonicContact OE1-NE 2.69Å; E92-R141 IonicContact OE1-NH1 3.84Å; E92-R141 PolarHBondContact OE1-NH1 2.77Å; E92-R141 IonicContact OE2-NH1 3.71Å
142D97.5Very high97.8Very high64 Ų6448 Ų4834%0.34225%0.25SC..SBendtrans-84.8127.8169.2-171.3-30.8000109.5G140 H144 T145G140-D142 PolarHBondContact O-N 2.86Å; D142-H144 PolarHBondContact O-N 2.94Å; D142-H144 VanDerWaalsContact O-N 3.13Å; D142-H144 IonicContact OD1-CE1 3.83Å; D142-H144 IonicContact OD1-CG 3.85Å; D142-H144 PolarHBondContact OD1-N 3Å; D142-H144 IonicContact OD1-ND1 3.9Å; D142-H144 PolarHBondContact OD1-ND1 3.05Å; D142-H144 IonicContact OD2-ND1 2.64Å; D142-T145 HydrophobicContact CB-CG2 3.97Å; D142-T145 PolarHBondContact O-N 3.31Å; D142-T145 PolarHBondContact O-OG1 2.99Å
143V98.3Very high97.5Very high87 Ų8741.3 Ų41.353%0.52723%0.232SC..THydrogen-bonded Turntrans-61.2-19.7-178.9-60.20000113.9N167 A168V143-N167 HydrophobicContact CB-CB 4.36Å; V143-N167 HydrophobicContact CG2-CB 4.31Å; V143-N167 WeakPolarHBondContact O-CB 3.4Å; V143-A168 WeakPolarHBondContact O-CB 3.19Å; V143-A168 PolarHBondContact O-N 2.87Å
144H98.5Very high97.1Very high48 Ų4844.1 Ų44.122%0.22226%0.259CS..THydrogen-bonded Turntrans-81.7-18.5176.1-52.188.7000112.2D142 W163 C164 E165 P166D142-H144 PolarHBondContact O-N 2.94Å; D142-H144 VanDerWaalsContact O-N 3.13Å; D142-H144 IonicContact OD1-CE1 3.83Å; D142-H144 IonicContact OD1-CG 3.85Å; D142-H144 PolarHBondContact OD1-N 3Å; D142-H144 IonicContact OD1-ND1 3.9Å; D142-H144 PolarHBondContact OD1-ND1 3.05Å; D142-H144 IonicContact OD2-ND1 2.64Å; H144-W163 HydrophobicContact CB-CD2 3.9Å; H144-W163 HydrophobicContact CB-CE3 4.18Å; H144-W163 HydrophobicContact CB-CH2 3.79Å; H144-W163 HydrophobicContact CB-CZ2 3.49Å; H144-W163 VanDerWaalsContact CB-CZ2 3.49Å; H144-W163 HydrophobicContact CB-CZ3 4.14Å; H144-W163 AromaticContact CG-CZ2 3.66Å; H144-C164 WeakPolarHBondContact CB-O 3.28Å; H144-C164 PolarHBondContact O-N 3.13Å; H144-E165 IonicContact CD2-OE2 3.53Å; H144-P166 PolarHBondContact CD2-O 2.81Å; H144-P166 PolarHBondContact NE2-O 3.18Å; H144-P166 VanDerWaalsContact NE2-O 3.12Å
145T98.6Very high96.9Very high2 Ų247.1 Ų47.11%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-91132.4-175.362.30000111.7L91 L95 V139 G140 D142 W163L91-T145 HydrophobicContact CD2-CG2 4.39Å; L95-T145 HydrophobicContact CD1-CG2 3.94Å; V139-T145 WeakPolarHBondContact CA-O 3.49Å; V139-T145 WeakPolarHBondContact CG1-O 3.42Å; G140-T145 VanDerWaalsContact CA-OG1 3.27Å; G140-T145 WeakPolarHBondContact CA-OG1 3.34Å; G140-T145 PolarHBondContact N-O 2.66Å; G140-T145 PolarHBondContact N-OG1 3.2Å; D142-T145 HydrophobicContact CB-CG2 3.97Å; D142-T145 PolarHBondContact O-N 3.31Å; D142-T145 PolarHBondContact O-OG1 2.99Å; T145-W163 HydrophobicContact CG2-CE3 3.83Å; T145-W163 HydrophobicContact CG2-CZ3 3.86Å
146F98.8Very high96.9Very high1 Ų148.2 Ų48.20%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-131.3141.7174.8179.6-116.6000109.7L137 A138 V139 F148 F162 A168 L171 S172 V175L137-F146 HydrophobicContact CB-CE2 4.28Å; L137-F146 HydrophobicContact CB-CZ 4.23Å; L137-F146 HydrophobicContact CD1-CE2 4.17Å; A138-F146 VanDerWaalsContact O-CD2 3.31Å; A138-F146 WeakPolarHBondContact O-CD2 3.35Å; V139-F146 HydrophobicContact CG2-CD2 4.37Å; F146-F148 AromaticContact CE1-CD1 3.88Å; F146-F148 HydrophobicContact CE1-CD1 3.88Å; F146-F148 HydrophobicContact CZ-CD1 4.38Å; F146-F162 AromaticContact CD1-CD2 3.99Å; F146-F162 HydrophobicContact CD1-CD2 3.99Å; F146-F162 PolarHBondContact N-O 3.47Å; F146-F162 PolarHBondContact O-N 2.84Å; F146-A168 HydrophobicContact CB-CB 3.79Å; F146-L171 HydrophobicContact CD1-CD2 3.58Å; F146-L171 HydrophobicContact CD1-CG 3.87Å; F146-L171 HydrophobicContact CE1-CD2 4.08Å; F146-L171 HydrophobicContact CE1-CG 3.96Å; F146-L171 HydrophobicContact CG-CD2 4.4Å; F146-S172 VanDerWaalsContact CE2-CB 3.5Å; F146-V175 HydrophobicContact CE1-CG2 4.15Å; F146-V175 HydrophobicContact CZ-CB 4.17Å; F146-V175 HydrophobicContact CZ-CG1 4.43Å; F146-V175 HydrophobicContact CZ-CG2 4.22Å
147A98.8Very high96.9Very high0 Ų047.3 Ų47.30%029%0.292CS..EExtended strand (participates in β ladder)trans-147.1156.9172.700000112.2I87 L91 L137 A138 H160 M161I87-A147 HydrophobicContact CD1-CB 4.23Å; I87-A147 HydrophobicContact CG1-CB 4.23Å; I87-A147 HydrophobicContact CG2-CB 3.68Å; L91-A147 HydrophobicContact CD1-CB 4.35Å; L91-A147 HydrophobicContact CG-CB 4.48Å; L137-A147 WeakPolarHBondContact CA-O 3.27Å; A138-A147 PolarHBondContact N-O 2.9Å; A138-A147 PolarHBondContact O-N 3.45Å; A147-H160 WeakPolarHBondContact CA-O 3.48Å; A147-H160 VanDerWaalsContact CB-O 3.29Å; A147-H160 WeakPolarHBondContact CB-O 3.37Å; A147-M161 HydrophobicContact CB-CG 3.93Å
148F98.8Very high96.8Very high1 Ų146.5 Ų46.50%0.00429%0.289CS..EExtended strand (participates in β ladder)trans-139.1153.1168.761.3-99.9000111.1L115 C129 L134 F136 L137 F146 M150 C159 H160 F162L115-F148 HydrophobicContact CD1-CD1 4.47Å; L115-F148 HydrophobicContact CD1-CE1 4.06Å; L115-F148 HydrophobicContact CD1-CZ 4.09Å; C129-F148 HydrophobicContact CB-CE2 3.94Å; C129-F148 HydrophobicContact CB-CZ 4.16Å; L134-F148 HydrophobicContact CD1-CB 3.91Å; L134-F148 HydrophobicContact CD1-CD2 4.06Å; L134-F148 HydrophobicContact CD1-CG 3.98Å; L134-F148 HydrophobicContact CG-CB 4.18Å; L134-F148 HydrophobicContact CG-CD2 4.38Å; F136-F148 CarbonylContact O-C 3.59Å; F136-F148 WeakPolarHBondContact O-CA 3.48Å; F136-F148 VanDerWaalsContact O-CB 3.31Å; F136-F148 WeakPolarHBondContact O-CB 3.32Å; L137-F148 HydrophobicContact CB-CB 3.81Å; F146-F148 AromaticContact CE1-CD1 3.88Å; F146-F148 HydrophobicContact CE1-CD1 3.88Å; F146-F148 HydrophobicContact CZ-CD1 4.38Å; F148-M150 HydrophobicContact CD2-CG 3.76Å; F148-M150 HydrophobicContact CD2-SD 3.79Å; F148-M150 HydrophobicContact CE2-CG 3.59Å; F148-M150 HydrophobicContact CE2-SD 3.74Å; F148-C159 CarbonylContact O-C 3.57Å; F148-C159 WeakPolarHBondContact O-CA 3.4Å; F148-H160 HydrophobicContact CD2-CB 4.25Å; F148-H160 HydrophobicContact CE1-CB 4.19Å; F148-H160 HydrophobicContact CE2-CB 3.74Å; F148-H160 AromaticContact CE2-CD2 3.8Å; F148-H160 AromaticContact CE2-CG 3.85Å; F148-H160 HydrophobicContact CZ-CB 3.71Å; F148-H160 PolarHBondContact N-O 2.94Å; F148-H160 PolarHBondContact O-N 2.83Å; F148-F162 AromaticContact CD1-CE2 3.83Å; F148-F162 HydrophobicContact CD1-CE2 3.83Å; F148-F162 HydrophobicContact CE1-CD2 4.36Å; F148-F162 AromaticContact CE1-CE2 3.28Å; F148-F162 HydrophobicContact CE1-CE2 3.28Å; F148-F162 AromaticContact CE1-CZ 3.65Å; F148-F162 HydrophobicContact CE1-CZ 3.65Å; F148-F162 AromaticContact CZ-CE2 3.98Å; F148-F162 HydrophobicContact CZ-CE2 3.98Å; F148-F162 HydrophobicContact CZ-CZ 4.03Å
149I98.8Very high96.8Very high0 Ų045.9 Ų45.90%028%0.284CS..EExtended strand (participates in β ladder)trans-105.4128.1179-56.3177.6000108.6V78 V86 I87 L134 S135 F136 F157 C158 C159V78-I149 HydrophobicContact CG2-CD1 4.18Å; V78-I149 HydrophobicContact CG2-CG1 4.34Å; V78-I149 HydrophobicContact CG2-CG2 3.8Å; V86-I149 HydrophobicContact CB-CD1 4.47Å; V86-I149 HydrophobicContact CG1-CD1 4.03Å; I87-I149 HydrophobicContact CD1-CG1 4.39Å; I87-I149 HydrophobicContact CG1-CD1 4.09Å; I87-I149 HydrophobicContact CG1-CG1 4.09Å; L134-I149 WeakPolarHBondContact CA-O 3.4Å; S135-I149 PolarHBondContact N-O 3.32Å; S135-I149 WeakPolarHBondContact OG-CG2 3.08Å; S135-I149 PolarHBondContact OG-O 2.92Å; F136-I149 HydrophobicContact CB-CB 4.19Å; F136-I149 HydrophobicContact CB-CD1 4.18Å; F136-I149 HydrophobicContact CB-CG1 4.32Å; F136-I149 HydrophobicContact CD1-CD1 4.2Å; F136-I149 PolarHBondContact O-N 3.31Å; I149-F157 HydrophobicContact CG2-CB 3.82Å; I149-C158 CarbonylContact C-O 3.47Å; I149-C158 WeakPolarHBondContact CA-O 3.34Å; I149-C159 HydrophobicContact CG1-CB 4.29Å
150M98.4Very high96.8Very high16 Ų1644.1 Ų44.18%0.07927%0.272CS..EExtended strand (participates in β ladder)trans-105.2132.6174.7-65-60.6-63.600109.8C129 R130 F133 L134 F148 A152 F157 C158C129-M150 HydrophobicContact CB-CE 3.67Å; C129-M150 HydrophobicContact CB-CG 4.25Å; C129-M150 HydrophobicContact CB-SD 3.77Å; R130-M150 WeakPolarHBondContact O-CE 3.38Å; F133-M150 HydrophobicContact CB-CE 3.84Å; F133-M150 WeakPolarHBondContact O-CA 3.49Å; L134-M150 HydrophobicContact CB-SD 3.82Å; L134-M150 HydrophobicContact CG-SD 4.24Å; F148-M150 HydrophobicContact CD2-CG 3.76Å; F148-M150 HydrophobicContact CD2-SD 3.79Å; F148-M150 HydrophobicContact CE2-CG 3.59Å; F148-M150 HydrophobicContact CE2-SD 3.74Å; M150-A152 PolarHBondContact O-N 2.96Å; M150-F157 CarbonylContact O-C 3.59Å; M150-F157 VanDerWaalsContact O-CA 3.28Å; M150-F157 WeakPolarHBondContact O-CA 3.27Å; M150-C158 PolarHBondContact N-O 3.46Å; M150-C158 PolarHBondContact O-N 2.91Å
151A97.5Very high96.9Very high32 Ų3243.6 Ų43.626%0.26427%0.266SS..EExtended strand (participates in β ladder)trans-76.7103.1164.500000109.5F133 F157F133-A151 PolarHBondContact O-N 3.17Å; A151-F157 HydrophobicContact CB-CD1 4.13Å; A151-F157 HydrophobicContact CB-CE1 4.18Å
152A91.6Very high96.9Very high78 Ų7834.5 Ų34.565%0.64523%0.232SC*.EExtended strand (participates in β ladder)trans-81.4-20.5175.200000112.4M150 S156M150-A152 PolarHBondContact O-N 2.96Å; A152-S156 PolarHBondContact N-O 3.06Å
153G90.4Very high97Very high26 Ų2632.7 Ų32.727%0.26822%0.22SC..EExtended strand (participates in β ladder)trans-167.1-177.5176.200000111.7A155 S156G153-A155 PolarHBondContact O-N 3.42Å; G153-S156 PolarHBondContact N-O 3.11Å; G153-S156 VanDerWaalsContact N-O 3.14Å; G153-S156 PolarHBondContact O-N 2.96Å
154P88.5Confident97Very high145 Ų14528.8 Ų28.894%0.94220%0.197SC*.THydrogen-bonded Turntrans-54.9-30.2-174.1-28.435.7000115.5
155A92.7Very high96.9Very high90 Ų9030.8 Ų30.874%0.74421%0.206SC*.THydrogen-bonded Turntrans-140.827.9176.100000111.6G153G153-A155 PolarHBondContact O-N 3.42Å
156S97.3Very high96.9Very high65 Ų6535.5 Ų35.546%0.45524%0.237SC..EExtended strand (participates in β ladder)trans-122.5119.7-179.5-176.70000108.9A152 G153A152-S156 PolarHBondContact N-O 3.06Å; G153-S156 PolarHBondContact N-O 3.11Å; G153-S156 VanDerWaalsContact N-O 3.14Å; G153-S156 PolarHBondContact O-N 2.96Å
157F98.4Very high96.8Very high28 Ų2838.3 Ų38.312%0.12325%0.252CS..EExtended strand (participates in β ladder)trans-125.3144.2-176.7-47.8-72000110.5P77 V78 P81 I149 M150 A151P77-F157 WeakPolarHBondContact CA-O 3.41Å; V78-F157 HydrophobicContact CG2-CB 3.65Å; V78-F157 PolarHBondContact N-O 2.82Å; V78-F157 WeakPolarHBondContact O-CB 3.31Å; P81-F157 HydrophobicContact CB-CD1 3.82Å; P81-F157 HydrophobicContact CB-CE1 3.56Å; P81-F157 HydrophobicContact CB-CE2 4.36Å; P81-F157 HydrophobicContact CB-CG 4.36Å; P81-F157 HydrophobicContact CB-CZ 3.85Å; P81-F157 HydrophobicContact CG-CE1 4.29Å; P81-F157 HydrophobicContact CG-CE2 4.44Å; P81-F157 HydrophobicContact CG-CZ 4.07Å; I149-F157 HydrophobicContact CG2-CB 3.82Å; M150-F157 CarbonylContact O-C 3.59Å; M150-F157 VanDerWaalsContact O-CA 3.28Å; M150-F157 WeakPolarHBondContact O-CA 3.27Å; A151-F157 HydrophobicContact CB-CD1 4.13Å; A151-F157 HydrophobicContact CB-CE1 4.18Å
158C98.1Very high96.8Very high22 Ų2238.3 Ų38.315%0.14925%0.252CS..EExtended strand (participates in β ladder)trans-131.6126.3-178.3-174.40000109.1N75 V76 I149 M150N75-C158 VanDerWaalsContact CB-SG 3.58Å; N75-C158 PolarHBondContact OD1-SG 2.86Å; V76-C158 WeakPolarHBondContact O-CA 3.43Å; I149-C158 CarbonylContact C-O 3.47Å; I149-C158 WeakPolarHBondContact CA-O 3.34Å; M150-C158 PolarHBondContact N-O 3.46Å; M150-C158 PolarHBondContact O-N 2.91Å
159C98.6Very high96.8Very high0 Ų040.2 Ų40.20%027%0.268CS..EExtended strand (participates in β ladder)trans-97.1119.1178.2-174.60000109.5N75 V76 V78 A90 F148 I149N75-C159 CarbonylContact C-O 3.54Å; N75-C159 WeakPolarHBondContact CA-O 3.47Å; N75-C159 VanDerWaalsContact CB-O 3.3Å; N75-C159 WeakPolarHBondContact CB-O 3.48Å; V76-C159 HydrophobicContact CG2-CB 4.32Å; V76-C159 PolarHBondContact N-O 3.26Å; V76-C159 PolarHBondContact O-N 3.34Å; V78-C159 HydrophobicContact CG1-CB 3.59Å; V78-C159 HydrophobicContact CG2-CB 4.28Å; A90-C159 HydrophobicContact CB-CB 4.44Å; F148-C159 CarbonylContact O-C 3.57Å; F148-C159 WeakPolarHBondContact O-CA 3.4Å; I149-C159 HydrophobicContact CG1-CB 4.29Å
160H98.7Very high96.8Very high19 Ų1943.4 Ų43.49%0.08829%0.29CS..EExtended strand (participates in β ladder)trans-95.5134.7172.4-68.1-103.1000109.4Y72 A147 F148 F162Y72-H160 HydrophobicContact CE2-CB 4.33Å; Y72-H160 AromaticContact CZ-ND1 3.88Å; Y72-H160 PolarHBondContact OH-ND1 3.21Å; A147-H160 WeakPolarHBondContact CA-O 3.48Å; A147-H160 VanDerWaalsContact CB-O 3.29Å; A147-H160 WeakPolarHBondContact CB-O 3.37Å; F148-H160 HydrophobicContact CD2-CB 4.25Å; F148-H160 HydrophobicContact CE1-CB 4.19Å; F148-H160 HydrophobicContact CE2-CB 3.74Å; F148-H160 AromaticContact CE2-CD2 3.8Å; F148-H160 AromaticContact CE2-CG 3.85Å; F148-H160 HydrophobicContact CZ-CB 3.71Å; F148-H160 PolarHBondContact N-O 2.94Å; F148-H160 PolarHBondContact O-N 2.83Å; H160-F162 HydrophobicContact CB-CE2 3.82Å; H160-F162 HydrophobicContact CB-CZ 4.05Å
161M98.7Very high96.8Very high0 Ų042.7 Ų42.70%029%0.286CS..EExtended strand (participates in β ladder)trans-128.4142.2-170.1-65.4167.2-68.600111.6Y72 L73 G74 V76 A90 L91 V94 A147Y72-M161 VanDerWaalsContact CD2-O 3.32Å; Y72-M161 WeakPolarHBondContact CD2-O 3.31Å; L73-M161 HydrophobicContact CB-CB 3.98Å; L73-M161 WeakPolarHBondContact CB-O 3.27Å; L73-M161 HydrophobicContact CD1-CB 4.22Å; L73-M161 PolarHBondContact N-O 2.95Å; G74-M161 PolarHBondContact O-N 3.2Å; G74-M161 VanDerWaalsContact O-N 3.11Å; V76-M161 HydrophobicContact CB-CE 4.39Å; V76-M161 HydrophobicContact CG1-CE 3.95Å; V76-M161 HydrophobicContact CG2-CE 3.77Å; V76-M161 HydrophobicContact CG2-SD 4.48Å; A90-M161 HydrophobicContact CB-SD 3.73Å; L91-M161 HydrophobicContact CD2-CB 3.77Å; L91-M161 HydrophobicContact CD2-CG 3.74Å; L91-M161 HydrophobicContact CD2-SD 4.06Å; L91-M161 HydrophobicContact CG-CG 4.17Å; L91-M161 HydrophobicContact CG-SD 4.23Å; V94-M161 HydrophobicContact CB-CE 4.23Å; V94-M161 HydrophobicContact CB-SD 4.47Å; V94-M161 HydrophobicContact CG1-CE 4.08Å; V94-M161 HydrophobicContact CG1-SD 3.8Å; A147-M161 HydrophobicContact CB-CG 3.93Å
162F98.8Very high96.8Very high0 Ų041.9 Ų41.90%028%0.279CS..EExtended strand (participates in β ladder)trans-140.2147.4-173-52.1-92.7000110.9V70 Y71 Y72 V108 I117 F146 F148 H160V70-F162 HydrophobicContact CG2-CD1 3.86Å; Y71-F162 CarbonylContact O-C 3.58Å; Y71-F162 VanDerWaalsContact O-CA 3.31Å; Y71-F162 WeakPolarHBondContact O-CA 3.31Å; Y72-F162 AromaticContact CD2-CD1 3.73Å; Y72-F162 HydrophobicContact CD2-CD1 3.73Å; Y72-F162 AromaticContact CD2-CE1 3.38Å; Y72-F162 HydrophobicContact CD2-CE1 3.38Å; Y72-F162 AromaticContact CD2-CZ 3.94Å; Y72-F162 HydrophobicContact CD2-CZ 3.94Å; Y72-F162 AromaticContact CE2-CE1 3.88Å; Y72-F162 HydrophobicContact CE2-CE1 3.88Å; Y72-F162 AromaticContact CE2-CZ 3.95Å; Y72-F162 HydrophobicContact CE2-CZ 3.95Å; Y72-F162 HydrophobicContact CG-CE1 4.34Å; V108-F162 HydrophobicContact CG2-CD1 3.86Å; V108-F162 HydrophobicContact CG2-CE1 3.53Å; V108-F162 HydrophobicContact CG2-CZ 4.2Å; I117-F162 HydrophobicContact CD1-CE1 3.92Å; I117-F162 HydrophobicContact CD1-CZ 3.59Å; I117-F162 HydrophobicContact CG1-CE1 3.95Å; I117-F162 HydrophobicContact CG1-CZ 3.92Å; I117-F162 HydrophobicContact CG2-CE1 4.03Å; F146-F162 AromaticContact CD1-CD2 3.99Å; F146-F162 HydrophobicContact CD1-CD2 3.99Å; F146-F162 PolarHBondContact N-O 3.47Å; F146-F162 PolarHBondContact O-N 2.84Å; F148-F162 AromaticContact CD1-CE2 3.83Å; F148-F162 HydrophobicContact CD1-CE2 3.83Å; F148-F162 HydrophobicContact CE1-CD2 4.36Å; F148-F162 AromaticContact CE1-CE2 3.28Å; F148-F162 HydrophobicContact CE1-CE2 3.28Å; F148-F162 AromaticContact CE1-CZ 3.65Å; F148-F162 HydrophobicContact CE1-CZ 3.65Å; F148-F162 AromaticContact CZ-CE2 3.98Å; F148-F162 HydrophobicContact CZ-CE2 3.98Å; F148-F162 HydrophobicContact CZ-CZ 4.03Å; H160-F162 HydrophobicContact CB-CE2 3.82Å; H160-F162 HydrophobicContact CB-CZ 4.05Å
163W98.6Very high97.1Very high27 Ų2744.3 Ų44.310%0.10228%0.277CS..EExtended strand (participates in β ladder)trans-108.1128.5165.2-176.1-80000109.8V70 Y71 L73 L95 W103 H144 T145 E165V70-W163 WeakPolarHBondContact CA-O 3.38Å; V70-W163 WeakPolarHBondContact CB-O 3.42Å; Y71-W163 PolarHBondContact N-O 3.14Å; Y71-W163 PolarHBondContact O-N 3.22Å; L73-W163 HydrophobicContact CD2-CB 4.13Å; L95-W163 HydrophobicContact CD2-CE3 4.31Å; L95-W163 HydrophobicContact CD2-CZ3 4.45Å; W103-W163 HydrophobicContact CE3-CB 3.97Å; W103-W163 HydrophobicContact CE3-CD2 4.46Å; W103-W163 HydrophobicContact CE3-CG 4.06Å; W103-W163 AromaticContact CH2-CD2 3.78Å; W103-W163 HydrophobicContact CH2-CD2 3.78Å; W103-W163 AromaticContact CH2-CE3 3.58Å; W103-W163 HydrophobicContact CH2-CE3 3.58Å; W103-W163 HydrophobicContact CH2-CG 4.23Å; W103-W163 HydrophobicContact CH2-CZ3 4.06Å; W103-W163 HydrophobicContact CZ3-CB 3.78Å; W103-W163 AromaticContact CZ3-CD1 3.98Å; W103-W163 AromaticContact CZ3-CD2 3.43Å; W103-W163 HydrophobicContact CZ3-CD2 3.43Å; W103-W163 VanDerWaalsContact CZ3-CD2 3.43Å; W103-W163 AromaticContact CZ3-CE3 3.74Å; W103-W163 HydrophobicContact CZ3-CE3 3.74Å; W103-W163 AromaticContact CZ3-CG 3.44Å; W103-W163 HydrophobicContact CZ3-CG 3.44Å; W103-W163 VanDerWaalsContact CZ3-CG 3.44Å; H144-W163 HydrophobicContact CB-CD2 3.9Å; H144-W163 HydrophobicContact CB-CE3 4.18Å; H144-W163 HydrophobicContact CB-CH2 3.79Å; H144-W163 HydrophobicContact CB-CZ2 3.49Å; H144-W163 VanDerWaalsContact CB-CZ2 3.49Å; H144-W163 HydrophobicContact CB-CZ3 4.14Å; H144-W163 AromaticContact CG-CZ2 3.66Å; T145-W163 HydrophobicContact CG2-CE3 3.83Å; T145-W163 HydrophobicContact CG2-CZ3 3.86Å; W163-E165 PolarHBondContact NE1-OE1 3.48Å
164C98.4Very high97.5Very high4 Ų443.5 Ų43.53%0.02727%0.267CS..  trans-120.3138.5-173.1-52.50000110.4V70 H144 N167 A168V70-C164 HydrophobicContact CG1-CB 4.29Å; V70-C164 VanDerWaalsContact CG1-SG 3.6Å; H144-C164 WeakPolarHBondContact CB-O 3.28Å; H144-C164 PolarHBondContact O-N 3.13Å; C164-N167 VanDerWaalsContact CB-O 3.26Å; C164-N167 WeakPolarHBondContact CB-O 3.42Å; C164-A168 HydrophobicContact CB-CB 4.21Å
165E96.8Very high97.9Very high90 Ų9036.6 Ų36.642%0.42122%0.223SC..SBendtrans-118.2135.4175.4-68.6-69.5176.200109.5R100 H144 W163 N167R100-E165 IonicContact CZ-OE1 3.95Å; R100-E165 IonicContact NH1-OE1 3.49Å; R100-E165 IonicContact NH2-OE1 2.71Å; R100-E165 PolarHBondContact NH2-OE1 3.2Å; H144-E165 IonicContact CD2-OE2 3.53Å; W163-E165 PolarHBondContact NE1-OE1 3.48Å; E165-N167 VanDerWaalsContact C-N 3.33Å
166P97.4Very high98.1Very high101 Ų10137 Ų3766%0.65621%0.209SC*.SBendcis-79.3-8.1-2.133.8-37000114H144H144-P166 PolarHBondContact CD2-O 2.81Å; H144-P166 PolarHBondContact NE2-O 3.18Å; H144-P166 VanDerWaalsContact NE2-O 3.12Å
167N98.4Very high98.1Very high61 Ų6135.7 Ų35.733%0.32620%0.202SC..  trans-167.2176.4172.557.162.5000109.6V143 C164 E165 A169V143-N167 HydrophobicContact CB-CB 4.36Å; V143-N167 HydrophobicContact CG2-CB 4.31Å; V143-N167 WeakPolarHBondContact O-CB 3.4Å; C164-N167 VanDerWaalsContact CB-O 3.26Å; C164-N167 WeakPolarHBondContact CB-O 3.42Å; E165-N167 VanDerWaalsContact C-N 3.33Å; N167-A169 PolarHBondContact O-N 3.38Å; N167-A169 WeakPolarHBondContact OD1-CB 3.33Å; N167-A169 PolarHBondContact OD1-N 3.33Å
168A98.5Very high97.9Very high0 Ų034.7 Ų34.70%020%0.199CC..SBendtrans-82.6-0.9-177.800000115.7V139 V143 F146 C164 S170 L171 S172V139-A168 HydrophobicContact CG1-CB 4.1Å; V139-A168 HydrophobicContact CG2-CB 3.94Å; V143-A168 WeakPolarHBondContact O-CB 3.19Å; V143-A168 PolarHBondContact O-N 2.87Å; F146-A168 HydrophobicContact CB-CB 3.79Å; C164-A168 HydrophobicContact CB-CB 4.21Å; A168-S170 PolarHBondContact O-N 3.35Å; A168-L171 PolarHBondContact O-N 3.14Å; A168-S172 VanDerWaalsContact O-CB 3.29Å; A168-S172 WeakPolarHBondContact O-CB 3.27Å; A168-S172 PolarHBondContact O-N 3.09Å; A168-S172 PolarHBondContact O-OG 2.98Å; A168-S172 VanDerWaalsContact O-OG 3.08Å
169A98Very high97.8Very high41 Ų4135.1 Ų35.134%0.33920%0.202SC..Hα-helixtrans-57.8-54.4-169.100000112N167 L171 S172 E173N167-A169 PolarHBondContact O-N 3.38Å; N167-A169 WeakPolarHBondContact OD1-CB 3.33Å; N167-A169 PolarHBondContact OD1-N 3.33Å; A169-L171 PolarHBondContact O-N 2.94Å; A169-S172 PolarHBondContact O-N 2.93Å; A169-S172 PolarHBondContact O-OG 3.38Å; A169-E173 WeakPolarHBondContact O-CB 3.31Å; A169-E173 WeakPolarHBondContact O-CG 3.46Å; A169-E173 PolarHBondContact O-N 2.89Å
170S98.1Very high97.6Very high66 Ų6640.4 Ų40.446%0.46223%0.228SC..Hα-helixtrans-61-43.3-176.260.70000113.2A168 A174A168-S170 PolarHBondContact O-N 3.35Å; S170-A174 WeakPolarHBondContact O-CB 3.37Å; S170-A174 PolarHBondContact O-N 2.73Å; S170-A174 VanDerWaalsContact O-N 3.09Å
171L98.4Very high97.2Very high1 Ų144.5 Ų44.51%0.00525%0.25CC..Hα-helixtrans-66.7-46.7177.3176.859.7000111.2F68 V70 V108 V110 F146 A168 A169 E173 A174 V175F68-L171 HydrophobicContact CB-CD1 4.07Å; F68-L171 HydrophobicContact CD1-CB 4.41Å; F68-L171 HydrophobicContact CD2-CD1 3.76Å; F68-L171 HydrophobicContact CE2-CD1 4.43Å; F68-L171 HydrophobicContact CG-CB 4.37Å; F68-L171 HydrophobicContact CG-CD1 3.92Å; V70-L171 HydrophobicContact CG1-CD2 3.85Å; V108-L171 HydrophobicContact CB-CD1 4Å; V108-L171 HydrophobicContact CG1-CD1 3.96Å; V108-L171 HydrophobicContact CG2-CD2 4.4Å; V110-L171 HydrophobicContact CG2-CD1 4.2Å; F146-L171 HydrophobicContact CD1-CD2 3.58Å; F146-L171 HydrophobicContact CD1-CG 3.87Å; F146-L171 HydrophobicContact CE1-CD2 4.08Å; F146-L171 HydrophobicContact CE1-CG 3.96Å; F146-L171 HydrophobicContact CG-CD2 4.4Å; A168-L171 PolarHBondContact O-N 3.14Å; A169-L171 PolarHBondContact O-N 2.94Å; L171-E173 VanDerWaalsContact C-N 3.34Å; L171-E173 PolarHBondContact O-N 3.44Å; L171-A174 PolarHBondContact O-N 3.3Å; L171-V175 HydrophobicContact CD1-CG2 3.97Å; L171-V175 HydrophobicContact CG-CG2 4.48Å; L171-V175 WeakPolarHBondContact O-CG2 3.24Å; L171-V175 PolarHBondContact O-N 2.65Å
172S98.4Very high96.9Very high15 Ų1548.5 Ų48.511%0.10527%0.265CS..Hα-helixtrans-61.7-42.4-178.870.20000112.1F146 A168 A169 V175 Q176F146-S172 VanDerWaalsContact CE2-CB 3.5Å; A168-S172 VanDerWaalsContact O-CB 3.29Å; A168-S172 WeakPolarHBondContact O-CB 3.27Å; A168-S172 PolarHBondContact O-N 3.09Å; A168-S172 PolarHBondContact O-OG 2.98Å; A168-S172 VanDerWaalsContact O-OG 3.08Å; A169-S172 PolarHBondContact O-N 2.93Å; A169-S172 PolarHBondContact O-OG 3.38Å; S172-V175 PolarHBondContact O-N 2.99Å; S172-Q176 VanDerWaalsContact O-CB 3.27Å; S172-Q176 WeakPolarHBondContact O-CB 3.41Å; S172-Q176 PolarHBondContact O-N 2.95Å
173E98.1Very high96.5Very high130 Ų13055.8 Ų55.861%0.60729%0.294SS*.Hα-helixtrans-63.7-43.5176.2-75178.2176.600111.8A169 L171 Q176 A177A169-E173 WeakPolarHBondContact O-CB 3.31Å; A169-E173 WeakPolarHBondContact O-CG 3.46Å; A169-E173 PolarHBondContact O-N 2.89Å; L171-E173 VanDerWaalsContact C-N 3.34Å; L171-E173 PolarHBondContact O-N 3.44Å; E173-Q176 PolarHBondContact O-N 2.81Å; E173-A177 VanDerWaalsContact O-CB 3.27Å; E173-A177 WeakPolarHBondContact O-CB 3.41Å; E173-A177 PolarHBondContact O-N 3.21Å
174A97.7Very high96.1Very high8 Ų859 Ų597%0.06631%0.31CS..Hα-helixtrans-64-43.6178.500000112.1F68 V110 S170 L171 A177 A178F68-A174 HydrophobicContact CE1-CB 4.31Å; F68-A174 HydrophobicContact CE2-CB 3.52Å; F68-A174 HydrophobicContact CZ-CB 3.33Å; V110-A174 HydrophobicContact CG1-CB 4.44Å; V110-A174 HydrophobicContact CG2-CB 4.4Å; S170-A174 WeakPolarHBondContact O-CB 3.37Å; S170-A174 PolarHBondContact O-N 2.73Å; S170-A174 VanDerWaalsContact O-N 3.09Å; L171-A174 PolarHBondContact O-N 3.3Å; A174-A177 PolarHBondContact O-N 3.45Å; A174-A178 WeakPolarHBondContact O-CB 3.13Å; A174-A178 PolarHBondContact O-N 3.47Å
175V98.2Very high95.7Very high1 Ų163.9 Ų63.91%0.00633%0.331CS..Hα-helixtrans-67.1-41.6177179.60000110.8V110 L115 L134 L137 F146 L171 S172 A178 C179V110-V175 HydrophobicContact CG2-CG2 4.08Å; L115-V175 HydrophobicContact CD1-CG1 3.7Å; L115-V175 HydrophobicContact CD1-CG2 4.18Å; L115-V175 HydrophobicContact CD2-CG1 4.37Å; L115-V175 HydrophobicContact CD2-CG2 4.2Å; L134-V175 HydrophobicContact CD1-CG1 3.77Å; L137-V175 HydrophobicContact CD2-CG1 3.97Å; F146-V175 HydrophobicContact CE1-CG2 4.15Å; F146-V175 HydrophobicContact CZ-CB 4.17Å; F146-V175 HydrophobicContact CZ-CG1 4.43Å; F146-V175 HydrophobicContact CZ-CG2 4.22Å; L171-V175 HydrophobicContact CD1-CG2 3.97Å; L171-V175 HydrophobicContact CG-CG2 4.48Å; L171-V175 WeakPolarHBondContact O-CG2 3.24Å; L171-V175 PolarHBondContact O-N 2.65Å; S172-V175 PolarHBondContact O-N 2.99Å; V175-A178 PolarHBondContact O-N 2.9Å; V175-C179 PolarHBondContact O-N 3.25Å; V175-C179 PolarHBondContact O-SG 2.99Å
176Q97.4Very high95.3Very high98 Ų9862.2 Ų62.246%0.45833%0.328SS..Hα-helixtrans-60.6-46.2174.9-176.8179.3-37.500111.2S172 E173 A178 C179 M180S172-Q176 VanDerWaalsContact O-CB 3.27Å; S172-Q176 WeakPolarHBondContact O-CB 3.41Å; S172-Q176 PolarHBondContact O-N 2.95Å; E173-Q176 PolarHBondContact O-N 2.81Å; Q176-A178 VanDerWaalsContact C-N 3.34Å; Q176-A178 PolarHBondContact O-N 2.92Å; Q176-C179 WeakPolarHBondContact O-CB 3.38Å; Q176-C179 PolarHBondContact O-N 3.24Å; Q176-M180 HydrophobicContact CG-CE 4.17Å; Q176-M180 HydrophobicContact CG-SD 4.43Å; Q176-M180 WeakPolarHBondContact O-CG 3.3Å; Q176-M180 PolarHBondContact O-N 3.29Å
177A95.8Very high94.8Very high37 Ų3760 Ų6031%0.30631%0.311SS..Hα-helixtrans-60.5-42.1176.700000111.9E173 A174 C179 M180 L181E173-A177 VanDerWaalsContact O-CB 3.27Å; E173-A177 WeakPolarHBondContact O-CB 3.41Å; E173-A177 PolarHBondContact O-N 3.21Å; A174-A177 PolarHBondContact O-N 3.45Å; A177-C179 VanDerWaalsContact C-N 3.34Å; A177-C179 PolarHBondContact O-N 3.44Å; A177-M180 HydrophobicContact CB-CE 4.45Å; A177-M180 PolarHBondContact O-N 3.09Å; A177-L181 WeakPolarHBondContact O-CB 3.23Å; A177-L181 VanDerWaalsContact O-CG 3.31Å; A177-L181 WeakPolarHBondContact O-CG 3.28Å; A177-L181 PolarHBondContact O-N 2.81Å
178A95.4Very high94.4Very high7 Ų760.5 Ų60.56%0.05831%0.313CS..Hα-helixtrans-60.4-43.1174.500000111.8V110 V131 A174 V175 Q176 R182V110-A178 HydrophobicContact CG1-CB 3.83Å; V131-A178 HydrophobicContact CG2-CB 4.45Å; A174-A178 WeakPolarHBondContact O-CB 3.13Å; A174-A178 PolarHBondContact O-N 3.47Å; V175-A178 PolarHBondContact O-N 2.9Å; Q176-A178 VanDerWaalsContact C-N 3.34Å; Q176-A178 PolarHBondContact O-N 2.92Å; A178-R182 VanDerWaalsContact O-CB 3.26Å; A178-R182 WeakPolarHBondContact O-CB 3.27Å; A178-R182 PolarHBondContact O-N 3.44Å
179C95.8Very high93.6Very high31 Ų3163.1 Ų63.121%0.20934%0.335CS..Hα-helixtrans-61-47.9175.3-64.10000112V131 V175 Q176 A177 R182 Y183V131-C179 HydrophobicContact CG1-CB 4.3Å; V175-C179 PolarHBondContact O-N 3.25Å; V175-C179 PolarHBondContact O-SG 2.99Å; Q176-C179 WeakPolarHBondContact O-CB 3.38Å; Q176-C179 PolarHBondContact O-N 3.24Å; A177-C179 VanDerWaalsContact C-N 3.34Å; A177-C179 PolarHBondContact O-N 3.44Å; C179-R182 PolarHBondContact O-N 2.93Å; C179-Y183 WeakPolarHBondContact O-CB 3.39Å; C179-Y183 PolarHBondContact O-N 2.88Å
180M93.5Very high92.8Very high111 Ų11169.4 Ų69.455%0.54735%0.35SS..Hα-helixtrans-62.3-46.8179.3-68.8-172.3-61.200112Q176 A177 R182 Y183 Q184Q176-M180 HydrophobicContact CG-CE 4.17Å; Q176-M180 HydrophobicContact CG-SD 4.43Å; Q176-M180 WeakPolarHBondContact O-CG 3.3Å; Q176-M180 PolarHBondContact O-N 3.29Å; A177-M180 HydrophobicContact CB-CE 4.45Å; A177-M180 PolarHBondContact O-N 3.09Å; M180-R182 VanDerWaalsContact C-N 3.31Å; M180-R182 PolarHBondContact O-N 3.24Å; M180-Y183 PolarHBondContact O-N 2.85Å; M180-Q184 PolarHBondContact O-N 2.98Å
181L91.4Very high91.6Very high105 Ų10569 Ų6955%0.5535%0.347SS..Hα-helixtrans-62.5-39.6177.4-73.4174.3000111.8A177 K185A177-L181 WeakPolarHBondContact O-CB 3.23Å; A177-L181 VanDerWaalsContact O-CG 3.31Å; A177-L181 WeakPolarHBondContact O-CG 3.28Å; A177-L181 PolarHBondContact O-N 2.81Å; L181-K185 WeakPolarHBondContact O-CB 3.33Å; L181-K185 WeakPolarHBondContact O-CG 3.4Å; L181-K185 PolarHBondContact O-N 2.67Å
182R90.9Very high89.8Confident85 Ų8574.6 Ų74.632%0.32137%0.373SS..Hα-helixtrans-66.1-43177.8-176.558.7-179.8162.31.2111.3V131 A178 C179 M180 K185 C186V131-R182 HydrophobicContact CB-CG 4.48Å; V131-R182 HydrophobicContact CG1-CB 3.8Å; V131-R182 HydrophobicContact CG1-CG 4.02Å; A178-R182 VanDerWaalsContact O-CB 3.26Å; A178-R182 WeakPolarHBondContact O-CB 3.27Å; A178-R182 PolarHBondContact O-N 3.44Å; C179-R182 PolarHBondContact O-N 2.93Å; M180-R182 VanDerWaalsContact C-N 3.31Å; M180-R182 PolarHBondContact O-N 3.24Å; R182-K185 PolarHBondContact O-N 3.03Å; R182-C186 PolarHBondContact O-N 3.33Å; R182-C186 VanDerWaalsContact O-N 3.15Å; R182-C186 PolarHBondContact O-SG 2.81Å; R182-C186 VanDerWaalsContact O-SG 3.4Å
183Y91.9Very high88Confident153 Ų15378 Ų7860%0.639%0.393SS*.Hα-helixtrans-59.9-49.1175.6178.5-109.3000111.5C179 M180 K185 C186 L187C179-Y183 WeakPolarHBondContact O-CB 3.39Å; C179-Y183 PolarHBondContact O-N 2.88Å; M180-Y183 PolarHBondContact O-N 2.85Å; Y183-K185 PolarHBondContact O-N 3.16Å; Y183-C186 WeakPolarHBondContact O-CB 3.29Å; Y183-C186 PolarHBondContact O-N 3.44Å; Y183-C186 VanDerWaalsContact O-N 3.09Å; Y183-L187 HydrophobicContact CD1-CD1 4.06Å; Y183-L187 HydrophobicContact CE1-CD1 3.47Å; Y183-L187 VanDerWaalsContact CE1-CD1 3.47Å; Y183-L187 HydrophobicContact CE1-CG 4.17Å; Y183-L187 HydrophobicContact CE2-CD1 4.5Å; Y183-L187 HydrophobicContact CE2-CD2 4.35Å; Y183-L187 HydrophobicContact CE2-CG 4.41Å; Y183-L187 PolarHBondContact O-N 3.5Å
184Q90Very high86Confident94 Ų9476 Ų7644%0.43939%0.394SS..Hα-helixtrans-58.5-47.7178.3-172.66047.600111.9M180 C186 L187 D188M180-Q184 PolarHBondContact O-N 2.98Å; Q184-C186 PolarHBondContact O-N 2.89Å; Q184-L187 WeakPolarHBondContact O-CB 3.34Å; Q184-L187 PolarHBondContact O-N 2.97Å; Q184-D188 PolarHBondContact NE2-OD1 3.11Å; Q184-D188 PolarHBondContact O-N 3.37Å
185K88.8Confident83.8Confident107 Ų10781 Ų8147%0.46542%0.423SS..Hα-helixtrans-57.8-34.2176.7-76.4179.2177.7178.30112.8L181 R182 Y183 A189L181-K185 WeakPolarHBondContact O-CB 3.33Å; L181-K185 WeakPolarHBondContact O-CG 3.4Å; L181-K185 PolarHBondContact O-N 2.67Å; R182-K185 PolarHBondContact O-N 3.03Å; Y183-K185 PolarHBondContact O-N 3.16Å; K185-A189 WeakPolarHBondContact O-CB 3.43Å; K185-A189 PolarHBondContact O-N 2.99Å; K185-A189 VanDerWaalsContact O-N 3.16Å
186C88.1Confident81.3Confident55 Ų5583.9 Ų83.937%0.37244%0.444SS..Hα-helixtrans-72.3-35.3176.2-74.20000112.6R182 Y183 Q184 R190R182-C186 PolarHBondContact O-N 3.33Å; R182-C186 VanDerWaalsContact O-N 3.15Å; R182-C186 PolarHBondContact O-SG 2.81Å; R182-C186 VanDerWaalsContact O-SG 3.4Å; Y183-C186 WeakPolarHBondContact O-CB 3.29Å; Y183-C186 PolarHBondContact O-N 3.44Å; Y183-C186 VanDerWaalsContact O-N 3.09Å; Q184-C186 PolarHBondContact O-N 2.89Å; C186-R190 VanDerWaalsContact O-CG 3.31Å; C186-R190 WeakPolarHBondContact O-CG 3.49Å; C186-R190 PolarHBondContact O-N 2.87Å
187L88.8Confident78.8Confident55 Ų5584.5 Ų84.529%0.28846%0.458SS..Hα-helixtrans-67.3-45.5173.6-66.2-177.8000111.6Y183 Q184 A189 R190 S191Y183-L187 HydrophobicContact CD1-CD1 4.06Å; Y183-L187 HydrophobicContact CE1-CD1 3.47Å; Y183-L187 VanDerWaalsContact CE1-CD1 3.47Å; Y183-L187 HydrophobicContact CE1-CG 4.17Å; Y183-L187 HydrophobicContact CE2-CD1 4.5Å; Y183-L187 HydrophobicContact CE2-CD2 4.35Å; Y183-L187 HydrophobicContact CE2-CG 4.41Å; Y183-L187 PolarHBondContact O-N 3.5Å; Q184-L187 WeakPolarHBondContact O-CB 3.34Å; Q184-L187 PolarHBondContact O-N 2.97Å; L187-A189 VanDerWaalsContact C-N 3.33Å; L187-A189 PolarHBondContact O-N 2.73Å; L187-R190 WeakPolarHBondContact O-CB 3.26Å; L187-R190 PolarHBondContact O-N 2.85Å; L187-S191 PolarHBondContact O-N 3.49Å
188D88.6Confident76.3Confident70 Ų7090.3 Ų90.337%0.37448%0.483SS..Hα-helixtrans-63.9-38-179.4-62.7-21.5000112.1Q184 R190 S191 Q192Q184-D188 PolarHBondContact NE2-OD1 3.11Å; Q184-D188 PolarHBondContact O-N 3.37Å; D188-R190 VanDerWaalsContact C-N 3.27Å; D188-R190 PolarHBondContact O-N 2.91Å; D188-S191 PolarHBondContact O-N 2.69Å; D188-S191 PolarHBondContact O-OG 2.95Å; D188-Q192 WeakPolarHBondContact O-CG 3.43Å; D188-Q192 PolarHBondContact O-N 3.08Å; D188-Q192 VanDerWaalsContact O-N 3.15Å
189A83.1Confident73.8Confident55 Ų5595.8 Ų95.846%0.45552%0.518SS..Hα-helixtrans-65.1-32.2174.400000112.6K185 L187 T193K185-A189 WeakPolarHBondContact O-CB 3.43Å; K185-A189 PolarHBondContact O-N 2.99Å; K185-A189 VanDerWaalsContact O-N 3.16Å; L187-A189 VanDerWaalsContact C-N 3.33Å; L187-A189 PolarHBondContact O-N 2.73Å; A189-T193 PolarHBondContact O-N 2.85Å; A189-T193 PolarHBondContact O-OG1 3.37Å
190R81Confident71.5Confident174 Ų17498.4 Ų98.466%0.65754%0.542SS*.Hα-helixtrans-77-36.5176.5-72.5172.765.3-164.6-0.3112.3C186 L187 D188 T193 S194C186-R190 VanDerWaalsContact O-CG 3.31Å; C186-R190 WeakPolarHBondContact O-CG 3.49Å; C186-R190 PolarHBondContact O-N 2.87Å; L187-R190 WeakPolarHBondContact O-CB 3.26Å; L187-R190 PolarHBondContact O-N 2.85Å; D188-R190 VanDerWaalsContact C-N 3.27Å; D188-R190 PolarHBondContact O-N 2.91Å; R190-T193 WeakPolarHBondContact CA-OG1 3.12Å; R190-T193 PolarHBondContact O-N 3.44Å; R190-T193 PolarHBondContact O-OG1 2.79Å; R190-S194 PolarHBondContact O-N 2.84Å
191S72.1Confident69.2Low57 Ų5798.6 Ų98.640%0.39955%0.551SS.*Hα-helixtrans-65.4-42.8176.265.70000111.1L187 D188 T193 S194 T195L187-S191 PolarHBondContact O-N 3.49Å; D188-S191 PolarHBondContact O-N 2.69Å; D188-S191 PolarHBondContact O-OG 2.95Å; S191-T193 PolarHBondContact O-N 3.42Å; S191-S194 PolarHBondContact O-N 3.5Å; S191-S194 PolarHBondContact O-OG 3.01Å; S191-T195 PolarHBondContact O-N 2.86Å; S191-T195 PolarHBondContact O-OG1 2.69Å
192Q61.7Low67Low118 Ų11898.9 Ų98.955%0.55156%0.559SS**Hα-helixtrans-62.2-25.5176.1-71.7-176.310.700114.3D188D188-Q192 WeakPolarHBondContact O-CG 3.43Å; D188-Q192 PolarHBondContact O-N 3.08Å; D188-Q192 VanDerWaalsContact O-N 3.15Å
193T58.9Low65Low87 Ų8799.9 Ų99.953%0.53459%0.586SS.*Hα-helixtrans-79.4-30.5174.340.90000111.8A189 R190 S191 S196A189-T193 PolarHBondContact O-N 2.85Å; A189-T193 PolarHBondContact O-OG1 3.37Å; R190-T193 WeakPolarHBondContact CA-OG1 3.12Å; R190-T193 PolarHBondContact O-N 3.44Å; R190-T193 PolarHBondContact O-OG1 2.79Å; S191-T193 PolarHBondContact O-N 3.42Å; T193-S196 PolarHBondContact O-OG 3.38Å
194S57.3Low62.8Low88 Ų88101.1 Ų101.162%0.61560%0.597SS**Hα-helixtrans-79.4-27.4-179.664.60000115.9R190 S191 S196R190-S194 PolarHBondContact O-N 2.84Å; S191-S194 PolarHBondContact O-N 3.5Å; S191-S194 PolarHBondContact O-OG 3.01Å; S194-S196 VanDerWaalsContact C-N 3.33Å
195T51.1Low60.4Low112 Ų112101.8 Ų101.869%0.68761%0.612SS**THydrogen-bonded Turntrans-87.53.7176.221.40000114.2S191 C197S191-T195 PolarHBondContact O-N 2.86Å; S191-T195 PolarHBondContact O-OG1 2.69Å; T195-C197 PolarHBondContact O-N 3.13Å
196S45.5Very low58.4Low63 Ų63104.4 Ų104.444%0.44164%0.637SS.*  trans-81.951175.171.30000112.6T193 S194 L198T193-S196 PolarHBondContact O-OG 3.38Å; S194-S196 VanDerWaalsContact C-N 3.33Å; S196-L198 PolarHBondContact O-N 2.64Å
197C44.7Very low56.2Low111 Ų111106 Ų10675%0.7565%0.654SS**  trans-67119.7157.4-50.30000106.5T195T195-C197 PolarHBondContact O-N 3.13Å
198L43.9Very low54.2Low158 Ų158115 Ų11583%0.82768%0.684SS**  trans-35.3131.9180-59.5164.5000112.6S196 A200S196-L198 PolarHBondContact O-N 2.64Å; L198-A200 PolarHBondContact O-N 2.71Å
199P42Very low52.1Low123 Ų123123.1 Ų123.180%0.79971%0.71SS**PPolyproline II helixtrans-59.1128.615424.7-27.9000106.9
200A47.1Very low50.1Low86 Ų86127.5 Ų127.571%0.71173%0.73SS**PPolyproline II helixtrans-49.9133170.800000108.2L198L198-A200 PolarHBondContact O-N 2.71Å
201P46.1Very low48.1Very low115 Ų115122 Ų12275%0.74773%0.728SS**PPolyproline II helixtrans-58.4138.8176.624.6-31.4000108.5A203P201-A203 PolarHBondContact O-N 3.12Å
202P45.3Very low46.1Very low110 Ų110131.5 Ų131.571%0.71476%0.755SS**PPolyproline II helixtrans-56.4142.1173.422.6-30.6000109.4E204P202-E204 PolarHBondContact O-N 2.94Å
203A47.9Very low45Very low107 Ų107131.6 Ų131.688%0.88476%0.764SS**SBendtrans-67.113.5-166.300000116.1P201P201-A203 PolarHBondContact O-N 3.12Å
204E47.3Very low44Very low178 Ų178133 Ų13383%0.83277%0.772SS**  trans-134.488.2177.6-68.3-165.3159.100110.9P202P202-E204 PolarHBondContact O-N 2.94Å
205S38.5Very low43.3Very low108 Ų108138.2 Ų138.276%0.75578%0.778SS**  trans-146.994.7159.8-82.20000109.3A207S205-A207 PolarHBondContact O-N 3.06Å
206V47.9Very low42.6Very low162 Ų162142.4 Ų142.498%0.98278%0.781SS**  trans-73.879168.8-173.10000107.7
207A41.3Very low41.9Very low88 Ų88142.9 Ų142.973%0.72780%0.796SS**  trans-130.6101.317000000110S205S205-A207 PolarHBondContact O-N 3.06Å
208R47.7Very low41.7Very low244 Ų244143 Ų14392%0.92179%0.793SS**  trans-0.6123.2170.8-65.6-178-177.297.61.1118.9
209R43.7Very low41.4Very low242 Ų242144.8 Ų144.891%0.91380%0.797SS**  trans-62.6116.9159.6-174.3-171.8-63.6-165.60.9111.4
210V40.8Very low41.2Very low147 Ų147144.4 Ų144.489%0.89180%0.798SS**  trans-132.4111.4145.1-177.40000102.5
211G38.2Very low40.8Very low58 Ų58147.9 Ų147.960%0.59880%0.803SS**  cis129.273.738.300000105.6
212W31.5Very low40.2Very low256 Ų256154.4 Ų154.497%0.9781%0.813SS**  trans-151.985.3160.4-135.7-56.1000109.8
213T37.1Very low39.5Very low120 Ų120152.8 Ų152.874%0.73682%0.816SS**  trans-86.9139.8151.937.20000106.2
214V39.3Very low39Very low117 Ų117153 Ų15371%0.70981%0.811SS**  -164.3121.666.5167.20000104.8
215R41.8Very low38.2Very low197 Ų197152.5 Ų152.574%0.74381%0.813SS**  52.1143.694.8-71.9-176.2175.2-169.50.3112.5
216R36.4Very low38.2Very low201 Ų201156.6 Ų156.676%0.75882%0.817SS**  cis-176.6160.122.7-131.3177-164.5-175.61.9107.6V218R216-V218 HydrophobicContact CG-CG2 4.35Å
217G31.4Very low37.8Very low72 Ų72154.7 Ų154.774%0.74281%0.808SS**  trans163.55916000000111.3
218V39.8Very low37.3Very low115 Ų115160.3 Ų160.370%0.69782%0.817SS**  52.794.5101.9-1760000112.9R216R216-V218 HydrophobicContact CG-CG2 4.35Å
219Q38.8Very low36.8Very low194 Ų194159.8 Ų159.891%0.90781%0.814SS**  trans-64.4133.3150.6-71.1170.7-24.500109
220S37.3Very low36.3Very low116 Ų116156.8 Ų156.881%0.81182%0.816SS**  trans-115.7133.9163.645.30000109.9
221L37.6Very low35.9Very low158 Ų158152.8 Ų152.883%0.82780%0.804SS**  trans-73.1154.3-177.8-82.7129.1000113.4
222W35.5Very low35.7Very low253 Ų253155.6 Ų155.696%0.95882%0.815SS**  trans12137.5150.8-80.5-21.7000121.8
223G30.1Very low35.9Very low75 Ų75151.8 Ų151.877%0.77381%0.808SS**  trans174.4108152.400000113.4
224S37.2Very low35.7Very low112 Ų112151.5 Ų151.578%0.78381%0.806SS**  trans-56.1150.1172.3-177.40000113.3
225L31.2Very low36.2Very low167 Ų167155.6 Ų155.687%0.87484%0.835SS**  trans166115.2132.7-84.9160000111.3
226K37.2Very low36Very low194 Ų194153.5 Ų153.584%0.84384%0.839SS**  trans-70.5160.5148.6-74.3-172178.3-179.40107.7
227P40.8Very low35.9Very low122 Ų122151 Ų15179%0.79284%0.844SS**  cis-150.3-177.134.138.8-15.8000117.5
228K28.8Very low36.2Very low207 Ų207155.4 Ų155.490%0.985%0.849SS**  trans119.4135.5137.6-138.5172.6-173.3-179.10117.1
229R38.4Very low36Very low232 Ų232157.8 Ų157.888%0.87586%0.858SS**  trans-72.8154.8-172-60174.7-176.8177.4-0.5114.2
230L33.3Very low35.8Very low179 Ų179155.5 Ų155.594%0.93786%0.855SS**  168134.2128.7-110.879.8000104.7
231G32.5Very low35.7Very low63 Ų63158.1 Ų158.165%0.64986%0.858SS**  cis121.5130.13300000108.5
232S33Very low35.6Very low118 Ų118158.1 Ų158.183%0.82586%0.86SS**  trans78.7114168.473.80000118.6
233Q36.3Very low35.6Very low176 Ų176150.8 Ų150.882%0.82285%0.853SS**  105.6106.677-84.7-152.31.700109.5
234T32.7Very low36Very low114 Ų114157.2 Ų157.270%0.69986%0.86SS**  57.4143102.151.80000114.9
235P50.9Low35.9Very low202 Ų202161.3 Ų161.3100%1.31287%0.866SS**  -101.4063.5-8.427.7000115.2

Retrieved 235 of 235 residues in 749.5 ms (Link to these results)