A0A061IRB6_CRIGR Loading...

Exosome complex component RRP45

AlphaFold DB , UniProt , Accession A0A061IRB6, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Exosc9, Length 437 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M65.7Low87.8Confident168 Ų168105.7 Ų105.783%0.82856%0.557SS**  0156.20-77.1178.8178.300108.5P88 E91M1-P88 CarbonylContact C-O 3.5Å; M1-P88 HydrophobicContact CB-CB 3.92Å; M1-E91 PolarHBondContact N-OE1 3.43Å
2K75.9Confident88.5Confident194 Ų194111 Ų11184%0.84356%0.564SS**PPolyproline II helixtrans-102141.9-171.8-163.6172.4-178176.30112.4
3E79.8Confident89Confident97 Ų97112.2 Ų112.245%0.45356%0.563SS.*PPolyproline II helixtrans-59.7143.8172.6-69-175.6170.200112.1A89E3-A89 HydrophobicContact CG-CB 3.33Å; E3-A89 WeakPolarHBondContact OE1-CB 3.37Å
4T84.7Confident89.5Confident104 Ų104104.4 Ų104.464%0.63852%0.524SS*.PPolyproline II helixtrans-67.4123.1170.447.30000109.4R215T4-R215 PolarHBondContact O-NH1 3.03Å
5P89.3Confident89.8Confident125 Ų125100.4 Ų100.481%0.81251%0.505SS*.PPolyproline II helixtrans-67.8144.6179.328.1-34.2000110.8
6L92.1Very high90.1Very high32 Ų32104.6 Ų104.617%0.16851%0.513CS..PPolyproline II helixtrans-78.1130.7177.5-170.772.2000110.9E10 R11 R215 V216L6-E10 HydrophobicContact CD1-CB 4.3Å; L6-E10 HydrophobicContact CD1-CG 3.94Å; L6-E10 WeakPolarHBondContact CD1-OE2 3.21Å; L6-R11 HydrophobicContact CD2-CB 4Å; L6-R215 HydrophobicContact CD2-CB 4.31Å; L6-V216 HydrophobicContact CD2-CG1 3.39Å
7S96.4Very high90.4Very high66 Ų6699.5 Ų99.546%0.46249%0.491SS..PPolyproline II helixtrans-69.1143.4176.8178.90000112.1C9 E10 R11S7-C9 PolarHBondContact O-N 3.15Å; S7-C9 PolarHBondContact OG-N 3.18Å; S7-E10 PolarHBondContact O-N 2.83Å; S7-R11 PolarHBondContact O-N 3.17Å
8N96.1Very high90.6Very high109 Ų10994.2 Ų94.258%0.58347%0.465SS*.Hα-helixtrans-60.2-33.9174-72-35.4000112.5R12N8-R12 WeakPolarHBondContact O-CB 3.4Å; N8-R12 VanDerWaalsContact O-CG 3.31Å; N8-R12 WeakPolarHBondContact O-CG 3.46Å; N8-R12 PolarHBondContact O-N 3.11Å; N8-R12 VanDerWaalsContact O-N 3.09Å
9C96.4Very high90.7Very high94 Ų9493.9 Ų93.964%0.63546%0.462SS*.Hα-helixtrans-64.5-47.7176.3-174.30000110.4S7 R12 F13S7-C9 PolarHBondContact O-N 3.15Å; S7-C9 PolarHBondContact OG-N 3.18Å; C9-R12 PolarHBondContact O-N 3.03Å; C9-F13 VanDerWaalsContact O-CB 3.28Å; C9-F13 WeakPolarHBondContact O-CB 3.44Å; C9-F13 PolarHBondContact O-N 2.98Å
10E94.4Very high90.9Very high55 Ų5595.6 Ų95.626%0.25747%0.469SS..Hα-helixtrans-63.7-44.9179.9-174.2167.7-157.700111.8L6 S7 R12 F13 L14 R212L6-E10 HydrophobicContact CD1-CB 4.3Å; L6-E10 HydrophobicContact CD1-CG 3.94Å; L6-E10 WeakPolarHBondContact CD1-OE2 3.21Å; S7-E10 PolarHBondContact O-N 2.83Å; E10-R12 PolarHBondContact O-N 3.21Å; E10-F13 PolarHBondContact O-N 2.7Å; E10-L14 HydrophobicContact CG-CD1 4.13Å; E10-L14 WeakPolarHBondContact O-CB 3.49Å; E10-L14 WeakPolarHBondContact O-CG 3.38Å; E10-L14 PolarHBondContact O-N 3.11Å; E10-R212 VanDerWaalsContact OE1-CD 3.25Å; E10-R212 WeakPolarHBondContact OE1-CD 3.41Å; E10-R212 IonicContact OE1-CZ 2.89Å; E10-R212 VanDerWaalsContact OE1-CZ 3.27Å; E10-R212 IonicContact OE1-NE 3.98Å; E10-R212 PolarHBondContact OE1-NE 3.15Å; E10-R212 IonicContact OE1-NH1 2.79Å; E10-R212 PolarHBondContact OE1-NH1 3.05Å
11R95.1Very high91Very high119 Ų11998.1 Ų98.145%0.44948%0.477SS..Hα-helixtrans-56.9-49.4174.9-177.7-177.6-65.6-160.9-1.5111.9L6 S7 L14 L15 V216L6-R11 HydrophobicContact CD2-CB 4Å; S7-R11 PolarHBondContact O-N 3.17Å; R11-L14 PolarHBondContact O-N 3.24Å; R11-L15 HydrophobicContact CG-CD1 4.27Å; R11-L15 WeakPolarHBondContact O-CG 3.41Å; R11-L15 PolarHBondContact O-N 3.26Å; R11-L15 VanDerWaalsContact O-N 3.09Å; R11-V216 HydrophobicContact CB-CG1 4.29Å; R11-V216 HydrophobicContact CG-CG1 3.89Å
12R95.5Very high92.3Very high169 Ų16996 Ų9664%0.63846%0.463SS*.Hα-helixtrans-66.4-38.5-179.6-72.4176.9-175.9165.11.9112N8 C9 E10 R16N8-R12 WeakPolarHBondContact O-CB 3.4Å; N8-R12 VanDerWaalsContact O-CG 3.31Å; N8-R12 WeakPolarHBondContact O-CG 3.46Å; N8-R12 PolarHBondContact O-N 3.11Å; N8-R12 VanDerWaalsContact O-N 3.09Å; C9-R12 PolarHBondContact O-N 3.03Å; E10-R12 PolarHBondContact O-N 3.21Å; R12-R16 WeakPolarHBondContact O-CG 3.45Å; R12-R16 PolarHBondContact O-N 3.04Å; R12-R16 VanDerWaalsContact O-N 3.09Å
13F96.2Very high93.1Very high127 Ų12787.5 Ų87.556%0.55743%0.426SS*.Hα-helixtrans-64.3-46.1177.2178.7-101.6000111.5C9 E10 L15 R16 A17 L24C9-F13 VanDerWaalsContact O-CB 3.28Å; C9-F13 WeakPolarHBondContact O-CB 3.44Å; C9-F13 PolarHBondContact O-N 2.98Å; E10-F13 PolarHBondContact O-N 2.7Å; F13-L15 PolarHBondContact O-N 3.04Å; F13-R16 PolarHBondContact O-N 3.15Å; F13-A17 PolarHBondContact O-N 3.04Å; F13-L24 HydrophobicContact CD1-CD2 4.28Å; F13-L24 HydrophobicContact CE1-CD2 3.69Å
14L95.1Very high93.6Very high3 Ų386.7 Ų86.72%0.01642%0.424CS..Hα-helixtrans-56.6-51.2175.2-80.4169.6000111.4E10 R11 R16 A17 I18 L24 R212 V216E10-L14 HydrophobicContact CG-CD1 4.13Å; E10-L14 WeakPolarHBondContact O-CB 3.49Å; E10-L14 WeakPolarHBondContact O-CG 3.38Å; E10-L14 PolarHBondContact O-N 3.11Å; R11-L14 PolarHBondContact O-N 3.24Å; L14-R16 VanDerWaalsContact C-N 3.33Å; L14-R16 PolarHBondContact O-N 3.45Å; L14-A17 WeakPolarHBondContact O-CB 3.36Å; L14-A17 PolarHBondContact O-N 3.43Å; L14-A17 VanDerWaalsContact O-N 3.12Å; L14-I18 WeakPolarHBondContact O-CG1 3.29Å; L14-I18 PolarHBondContact O-N 3.36Å; L14-L24 HydrophobicContact CD2-CD1 3.42Å; L14-L24 VanDerWaalsContact CD2-CD1 3.42Å; L14-L24 HydrophobicContact CD2-CD2 4.07Å; L14-L24 HydrophobicContact CD2-CG 3.64Å; L14-L24 HydrophobicContact CG-CD1 4.47Å; L14-R212 HydrophobicContact CD1-CB 4.08Å; L14-V216 HydrophobicContact CB-CG2 4.27Å; L14-V216 HydrophobicContact CD1-CG1 3.96Å; L14-V216 HydrophobicContact CD1-CG2 4.2Å
15L94.3Very high93.7Very high44 Ų4485 Ų8523%0.2341%0.412CS..Hα-helixtrans-59.9-41.8-179.7-68.7172.2000112.4R11 F13 I18 E19 F199R11-L15 HydrophobicContact CG-CD1 4.27Å; R11-L15 WeakPolarHBondContact O-CG 3.41Å; R11-L15 PolarHBondContact O-N 3.26Å; R11-L15 VanDerWaalsContact O-N 3.09Å; F13-L15 PolarHBondContact O-N 3.04Å; L15-I18 PolarHBondContact O-N 3.24Å; L15-E19 WeakPolarHBondContact O-CG 3.32Å; L15-E19 PolarHBondContact O-N 3.1Å; L15-F199 HydrophobicContact CD2-CD1 4.34Å
16R94.9Very high93.7Very high168 Ų16882.5 Ų82.563%0.63441%0.408SS*.Hα-helixtrans-64-39.5174.8-73.2178.4-177.7179.1-0.2112.7R12 F13 L14 I18 E19 E20R12-R16 WeakPolarHBondContact O-CG 3.45Å; R12-R16 PolarHBondContact O-N 3.04Å; R12-R16 VanDerWaalsContact O-N 3.09Å; F13-R16 PolarHBondContact O-N 3.15Å; L14-R16 VanDerWaalsContact C-N 3.33Å; L14-R16 PolarHBondContact O-N 3.45Å; R16-I18 VanDerWaalsContact C-N 3.31Å; R16-I18 PolarHBondContact O-N 2.85Å; R16-E19 WeakPolarHBondContact O-CB 3.49Å; R16-E19 PolarHBondContact O-N 3.08Å; R16-E20 PolarHBondContact O-N 3.07Å; R16-E20 VanDerWaalsContact O-N 3.16Å
17A94.7Very high93.7Very high17 Ų1782.9 Ų82.914%0.1441%0.407CS..Hα-helixtrans-64-39.2175.900000111.5F13 L14 E20 K21 K22F13-A17 PolarHBondContact O-N 3.04Å; L14-A17 WeakPolarHBondContact O-CB 3.36Å; L14-A17 PolarHBondContact O-N 3.43Å; L14-A17 VanDerWaalsContact O-N 3.12Å; A17-E20 CarbonylContact O-C 3.37Å; A17-E20 PolarHBondContact O-N 2.94Å; A17-K21 PolarHBondContact O-N 2.86Å; A17-K21 VanDerWaalsContact O-N 3.15Å; A17-K22 CarbonylContact C-O 3.58Å; A17-K22 PolarHBondContact O-N 3.11Å; A17-K22 VanDerWaalsContact O-O 3.11Å
18I94.2Very high93.6Very high5 Ų586.1 Ų86.13%0.02642%0.415CS..Hα-helixtrans-65.1-37.7174.8-62.7-46.3000111.8L14 L15 R16 E20 K21 F199 Y204 L206L14-I18 WeakPolarHBondContact O-CG1 3.29Å; L14-I18 PolarHBondContact O-N 3.36Å; L15-I18 PolarHBondContact O-N 3.24Å; R16-I18 VanDerWaalsContact C-N 3.31Å; R16-I18 PolarHBondContact O-N 2.85Å; I18-E20 VanDerWaalsContact C-N 3.28Å; I18-E20 PolarHBondContact O-N 3.49Å; I18-K21 WeakPolarHBondContact O-CA 3.4Å; I18-K21 PolarHBondContact O-N 3.36Å; I18-F199 HydrophobicContact CG2-CB 4.3Å; I18-F199 HydrophobicContact CG2-CD2 4.13Å; I18-F199 HydrophobicContact CG2-CG 4.21Å; I18-Y204 HydrophobicContact CG2-CD1 4.36Å; I18-Y204 HydrophobicContact CG2-CD2 4.31Å; I18-Y204 HydrophobicContact CG2-CG 3.86Å; I18-L206 HydrophobicContact CD1-CD1 3.91Å; I18-L206 HydrophobicContact CD1-CD2 3.57Å; I18-L206 HydrophobicContact CD1-CG 4.4Å; I18-L206 HydrophobicContact CG1-CD1 4.49Å; I18-L206 HydrophobicContact CG2-CD1 3.81Å
19E93.4Very high93.5Very high89 Ų8982.3 Ų82.342%0.41640%0.396SS..Hα-helixtrans-59.3-39.9173-72169-172.500111.9L15 R16 K21 Q200 Y204L15-E19 WeakPolarHBondContact O-CG 3.32Å; L15-E19 PolarHBondContact O-N 3.1Å; R16-E19 WeakPolarHBondContact O-CB 3.49Å; R16-E19 PolarHBondContact O-N 3.08Å; E19-K21 PolarHBondContact O-N 2.83Å; E19-Q200 PolarHBondContact OE1-NE2 2.76Å; E19-Y204 HydrophobicContact CG-CE2 3.96Å
20E93.5Very high93.4Very high126 Ų12682.1 Ų82.159%0.58938%0.382SS*.THydrogen-bonded Turntrans-77.60.7173.2-67.2-171.3-167.900114.1R16 A17 I18 K22R16-E20 PolarHBondContact O-N 3.07Å; R16-E20 VanDerWaalsContact O-N 3.16Å; A17-E20 CarbonylContact O-C 3.37Å; A17-E20 PolarHBondContact O-N 2.94Å; I18-E20 VanDerWaalsContact C-N 3.28Å; I18-E20 PolarHBondContact O-N 3.49Å; E20-K22 HydrophobicContact CB-CD 4.38Å; E20-K22 HydrophobicContact CB-CG 4.37Å; E20-K22 PolarHBondContact O-N 3.15Å; E20-K22 IonicContact OE2-NZ 3.32Å; E20-K22 PolarHBondContact OE2-NZ 3.03Å
21K92.3Very high93.3Very high149 Ų14982 Ų8265%0.64838%0.384SS*.THydrogen-bonded Turntrans5733.4-174.5-56179.7-179.81770113.8A17 I18 E19 T29A17-K21 PolarHBondContact O-N 2.86Å; A17-K21 VanDerWaalsContact O-N 3.15Å; I18-K21 WeakPolarHBondContact O-CA 3.4Å; I18-K21 PolarHBondContact O-N 3.36Å; E19-K21 PolarHBondContact O-N 2.83Å; K21-T29 HydrophobicContact CB-CG2 4.32Å
22K93.4Very high93.2Very high124 Ų12477.8 Ų77.854%0.53937%0.368SS..  trans-109.8136.8175.7-66.2177.4-172.3153.60110.3A17 E20A17-K22 CarbonylContact C-O 3.58Å; A17-K22 PolarHBondContact O-N 3.11Å; A17-K22 VanDerWaalsContact O-O 3.11Å; E20-K22 HydrophobicContact CB-CD 4.38Å; E20-K22 HydrophobicContact CB-CG 4.37Å; E20-K22 PolarHBondContact O-N 3.15Å; E20-K22 IonicContact OE2-NZ 3.32Å; E20-K22 PolarHBondContact OE2-NZ 3.03Å
23R93Very high93.2Very high15 Ų1570.6 Ų70.66%0.05734%0.341CS..  trans-100.7155.6174.5-61.5-173.572.2172.73111.1D25 G26 Q28 D31 L206 V207 D208 E213R23-D25 VanDerWaalsContact C-N 3.25Å; R23-D25 VanDerWaalsContact CB-OD1 3.28Å; R23-D25 WeakPolarHBondContact CB-OD1 3.46Å; R23-D25 IonicContact NE-OD1 3.8Å; R23-D25 PolarHBondContact O-N 2.9Å; R23-G26 PolarHBondContact O-N 3.49Å; R23-Q28 VanDerWaalsContact CD-O 3.29Å; R23-Q28 WeakPolarHBondContact CD-O 3.49Å; R23-D31 PolarHBondContact NH1-O 3.07Å; R23-L206 HydrophobicContact CG-CD2 4.12Å; R23-V207 PolarHBondContact NH1-O 2.9Å; R23-D208 PolarHBondContact NH2-O 2.81Å; R23-E213 IonicContact CZ-OE1 3.99Å; R23-E213 IonicContact CZ-OE2 3.51Å; R23-E213 IonicContact NE-OE1 2.79Å; R23-E213 PolarHBondContact NE-OE1 3.28Å; R23-E213 IonicContact NE-OE2 3.77Å; R23-E213 IonicContact NH2-OE1 3.63Å; R23-E213 IonicContact NH2-OE2 3.19Å; R23-E213 PolarHBondContact NH2-OE2 3.49Å
24L89.8Confident93Very high80 Ų8069.3 Ų69.342%0.41934%0.34SS..THydrogen-bonded Turntrans-63.9-30-179.5-69.2-171.6000113.7F13 L14F13-L24 HydrophobicContact CD1-CD2 4.28Å; F13-L24 HydrophobicContact CE1-CD2 3.69Å; L14-L24 HydrophobicContact CD2-CD1 3.42Å; L14-L24 VanDerWaalsContact CD2-CD1 3.42Å; L14-L24 HydrophobicContact CD2-CD2 4.07Å; L14-L24 HydrophobicContact CD2-CG 3.64Å; L14-L24 HydrophobicContact CG-CD1 4.47Å
25D87.9Confident92.9Very high70 Ų7070.4 Ų70.437%0.37435%0.345SS..THydrogen-bonded Turntrans-920.5-178.652.319.2000113.3R23 R27 N210R23-D25 VanDerWaalsContact C-N 3.25Å; R23-D25 VanDerWaalsContact CB-OD1 3.28Å; R23-D25 WeakPolarHBondContact CB-OD1 3.46Å; R23-D25 IonicContact NE-OD1 3.8Å; R23-D25 PolarHBondContact O-N 2.9Å; D25-R27 VanDerWaalsContact C-N 3.3Å; D25-R27 VanDerWaalsContact CG-NE 3.28Å; D25-R27 PolarHBondContact O-N 3.47Å; D25-R27 WeakPolarHBondContact OD1-CB 3.39Å; D25-R27 PolarHBondContact OD1-N 2.79Å; D25-R27 VanDerWaalsContact OD1-N 3.12Å; D25-R27 IonicContact OD1-NE 3.72Å; D25-R27 IonicContact OD2-CZ 2.7Å; D25-R27 IonicContact OD2-NE 3.21Å; D25-R27 PolarHBondContact OD2-NE 2.91Å; D25-R27 IonicContact OD2-NH2 3.78Å; D25-R27 PolarHBondContact OD2-NH2 3.17Å; D25-N210 PolarHBondContact OD2-ND2 2.77Å
26G89Confident92.9Very high71 Ų7173.6 Ų73.673%0.73235%0.354SS*.SBendtrans79.24.9-179.400000115.1R23R23-G26 PolarHBondContact O-N 3.49Å
27R92.3Very high92.8Very high41 Ų4166.9 Ų66.916%0.15533%0.33CS..  trans-74.8160.8174.9-66.4-174.3-68.9157.3-15.5112.1D25 D31 R33 D208 N210D25-R27 VanDerWaalsContact C-N 3.3Å; D25-R27 VanDerWaalsContact CG-NE 3.28Å; D25-R27 PolarHBondContact O-N 3.47Å; D25-R27 WeakPolarHBondContact OD1-CB 3.39Å; D25-R27 PolarHBondContact OD1-N 2.79Å; D25-R27 VanDerWaalsContact OD1-N 3.12Å; D25-R27 IonicContact OD1-NE 3.72Å; D25-R27 IonicContact OD2-CZ 2.7Å; D25-R27 IonicContact OD2-NE 3.21Å; D25-R27 PolarHBondContact OD2-NE 2.91Å; D25-R27 IonicContact OD2-NH2 3.78Å; D25-R27 PolarHBondContact OD2-NH2 3.17Å; R27-D31 HydrophobicContact CB-CB 4.37Å; R27-D31 PolarHBondContact NH1-O 2.71Å; R27-R33 VanDerWaalsContact NH1-CG 3.3Å; R27-R33 VanDerWaalsContact NH2-CG 3.27Å; R27-D208 IonicContact CZ-OD2 3.58Å; R27-D208 IonicContact NH1-OD2 3.17Å; R27-D208 PolarHBondContact NH1-OD2 3.16Å; R27-D208 IonicContact NH2-OD2 2.93Å; R27-N210 PolarHBondContact NH2-OD1 2.88Å
28Q94.1Very high92.7Very high134 Ų13467.2 Ų67.263%0.62633%0.332SS*.  trans-76.4171.1168.8-51.8-174.65.300111.3R23 Y30 D31R23-Q28 VanDerWaalsContact CD-O 3.29Å; R23-Q28 WeakPolarHBondContact CD-O 3.49Å; Q28-Y30 VanDerWaalsContact C-N 3.25Å; Q28-Y30 PolarHBondContact O-N 3.4Å; Q28-D31 WeakPolarHBondContact CB-OD2 3.43Å; Q28-D31 WeakPolarHBondContact CG-OD2 3.3Å; Q28-D31 PolarHBondContact N-OD2 2.95Å; Q28-D31 PolarHBondContact O-N 2.92Å
29T93Very high92.6Very high28 Ų2868 Ų6817%0.17234%0.335CS..THydrogen-bonded Turntrans-65.8-24.8-176.555.10000114K21 V207K21-T29 HydrophobicContact CB-CG2 4.32Å; T29-V207 PolarHBondContact O-N 3.31Å
30Y94.4Very high92.4Very high91 Ų9164.2 Ų64.236%0.35732%0.32SS..THydrogen-bonded Turntrans-110.58.5-174.3-53.6-35000113.7Q28 L205 V207 I253 K257Q28-Y30 VanDerWaalsContact C-N 3.25Å; Q28-Y30 PolarHBondContact O-N 3.4Å; Y30-L205 HydrophobicContact CD1-CD2 3.95Å; Y30-L205 HydrophobicContact CE1-CD2 3.45Å; Y30-L205 VanDerWaalsContact CE1-CD2 3.45Å; Y30-V207 HydrophobicContact CD1-CG2 4.07Å; Y30-I253 HydrophobicContact CD1-CD1 4.24Å; Y30-I253 HydrophobicContact CE1-CD1 4.09Å; Y30-I253 HydrophobicContact CE2-CD1 4.37Å; Y30-I253 HydrophobicContact CG-CD1 4.49Å; Y30-K257 WeakPolarHBondContact O-CE 3.47Å
31D92.8Very high92.2Very high53 Ų5362.6 Ų62.628%0.28332%0.318SS..PPolyproline II helixtrans-96.2134.4-175.5-67.1-22.5000112R23 R27 Q28R23-D31 PolarHBondContact NH1-O 3.07Å; R27-D31 HydrophobicContact CB-CB 4.37Å; R27-D31 PolarHBondContact NH1-O 2.71Å; Q28-D31 WeakPolarHBondContact CB-OD2 3.43Å; Q28-D31 WeakPolarHBondContact CG-OD2 3.3Å; Q28-D31 PolarHBondContact N-OD2 2.95Å; Q28-D31 PolarHBondContact O-N 2.92Å
32Y94.1Very high92.1Very high29 Ų2958.6 Ų58.611%0.11430%0.304CS..PPolyproline II helixtrans-76.7158.4170.8-90.6-86.2000112L50 D147 I194 V207 D208 K257 I261Y32-L50 HydrophobicContact CD1-CD1 4.18Å; Y32-D147 HydrophobicContact CE1-CB 4.4Å; Y32-D147 WeakPolarHBondContact CE1-OD2 3.34Å; Y32-D147 PolarHBondContact OH-OD2 3.39Å; Y32-I194 WeakPolarHBondContact OH-CA 3.47Å; Y32-I194 WeakPolarHBondContact OH-CG1 3.3Å; Y32-I194 WeakPolarHBondContact OH-CG2 3.26Å; Y32-V207 HydrophobicContact CD2-CG1 3.93Å; Y32-V207 HydrophobicContact CE2-CG1 3.45Å; Y32-V207 VanDerWaalsContact CE2-CG1 3.45Å; Y32-D208 HydrophobicContact CD1-CB 3.61Å; Y32-D208 HydrophobicContact CE1-CB 3.69Å; Y32-D208 HydrophobicContact CG-CB 4.23Å; Y32-K257 HydrophobicContact CD2-CB 4.41Å; Y32-K257 HydrophobicContact CD2-CD 4.29Å; Y32-K257 HydrophobicContact CD2-CG 4.22Å; Y32-K257 HydrophobicContact CE2-CB 3.98Å; Y32-K257 HydrophobicContact CE2-CG 4.05Å; Y32-I261 HydrophobicContact CE2-CD1 4.28Å
33R93.9Very high92Very high19 Ų1956.6 Ų56.67%0.07229%0.294CS..PPolyproline II helixtrans-64.6162.6164.1-73.1170.9-76179.61.3109.8R27 I35 L50 D142 G143 D208R27-R33 VanDerWaalsContact NH1-CG 3.3Å; R27-R33 VanDerWaalsContact NH2-CG 3.27Å; R33-I35 WeakPolarHBondContact O-CG1 3.45Å; R33-I35 PolarHBondContact O-N 3.41Å; R33-I35 VanDerWaalsContact O-N 3.17Å; R33-L50 HydrophobicContact CB-CG 4.42Å; R33-D142 PolarHBondContact NH1-O 3.5Å; R33-D142 IonicContact NH1-OD2 3.43Å; R33-G143 PolarHBondContact NH2-O 3.12Å; R33-D208 WeakPolarHBondContact CG-OD2 3.34Å; R33-D208 IonicContact CZ-OD1 3.62Å; R33-D208 IonicContact CZ-OD2 3.99Å; R33-D208 PolarHBondContact N-OD2 3.36Å; R33-D208 IonicContact NE-OD1 4Å; R33-D208 PolarHBondContact NE-OD1 2.79Å; R33-D208 IonicContact NE-OD2 2.69Å; R33-D208 PolarHBondContact NE-OD2 3.02Å; R33-D208 IonicContact NH2-OD1 3.94Å; R33-D208 PolarHBondContact NH2-OD1 3.39Å; R33-D208 IonicContact NH2-OD2 3.13Å
34N92.3Very high91.9Very high100 Ų10055.9 Ų55.954%0.53529%0.291SS..PPolyproline II helixtrans-60.5121.3170.859.2-16.7000109.8G51N34-G51 PolarHBondContact O-N 3.37Å; N34-G51 WeakPolarHBondContact OD1-CA 3.39Å
35I93.9Very high92.2Very high26 Ų2652.9 Ų52.913%0.13328%0.276CS..EExtended strand (participates in β ladder)trans-94.9124.8177.5-38.5-166.9000107.6R33 V48 E49 L50 I151 I261 L264R33-I35 WeakPolarHBondContact O-CG1 3.45Å; R33-I35 PolarHBondContact O-N 3.41Å; R33-I35 VanDerWaalsContact O-N 3.17Å; I35-V48 HydrophobicContact CG2-CG1 4.14Å; I35-E49 CarbonylContact C-O 3.54Å; I35-E49 WeakPolarHBondContact CA-O 3.47Å; I35-L50 HydrophobicContact CB-CD1 4.49Å; I35-L50 HydrophobicContact CD1-CD1 3.86Å; I35-L50 HydrophobicContact CG1-CD1 3.71Å; I35-L50 HydrophobicContact CG2-CD1 4.42Å; I35-I151 HydrophobicContact CD1-CD1 4.06Å; I35-I261 HydrophobicContact CD1-CD1 4.22Å; I35-I261 HydrophobicContact CD1-CG1 3.95Å; I35-I261 HydrophobicContact CD1-CG2 4.42Å; I35-L264 HydrophobicContact CB-CD1 4.22Å
36R93.1Very high92.6Very high111 Ų11149.5 Ų49.542%0.41926%0.259SS..EExtended strand (participates in β ladder)trans-118.3134.1171.4-60.8-179.9176.6-159.6-2.9108.7V48 E49R36-V48 WeakPolarHBondContact O-CA 3.24Å; R36-E49 HydrophobicContact CB-CB 4.19Å; R36-E49 PolarHBondContact N-O 3.33Å; R36-E49 PolarHBondContact O-N 3.19Å
37I93.6Very high92.9Very high26 Ų2647 Ų4713%0.13323%0.228CC..EExtended strand (participates in β ladder)trans-117.9120.7177.5-58174.6000106.5F39 V48 I151 V155 L264 I265 A268I37-F39 HydrophobicContact CG2-CE1 4.28Å; I37-F39 HydrophobicContact CG2-CE2 4.11Å; I37-F39 HydrophobicContact CG2-CZ 3.87Å; I37-V48 HydrophobicContact CG1-CG2 4.48Å; I37-I151 HydrophobicContact CD1-CG2 4.45Å; I37-V155 HydrophobicContact CD1-CG2 3.86Å; I37-V155 HydrophobicContact CG2-CG1 3.66Å; I37-V155 HydrophobicContact CG2-CG2 4.35Å; I37-L264 HydrophobicContact CD1-CD2 3.43Å; I37-L264 VanDerWaalsContact CD1-CD2 3.43Å; I37-L264 HydrophobicContact CG1-CD2 4.02Å; I37-I265 HydrophobicContact CD1-CG1 3.92Å; I37-A268 HydrophobicContact CB-CB 4.31Å; I37-A268 HydrophobicContact CD1-CB 4.24Å; I37-A268 HydrophobicContact CG2-CB 4.45Å
38S92.3Very high93Very high25 Ų2545 Ų4518%0.17522%0.221CC..EExtended strand (participates in β ladder)trans-116.5137.1173.8-65.40000109.1C46 I47S38-C46 CarbonylContact O-C 3.54Å; S38-C46 WeakPolarHBondContact O-CA 3.38Å; S38-I47 PolarHBondContact N-O 3.12Å; S38-I47 PolarHBondContact O-N 3.27Å
39F92.8Very high93Very high22 Ų2239.4 Ų39.410%0.09620%0.195CC..EExtended strand (participates in β ladder)trans-96.9149.6176.8-62.9-78.4000111.2I37 C46 V155 H159 A268 L269 D272I37-F39 HydrophobicContact CG2-CE1 4.28Å; I37-F39 HydrophobicContact CG2-CE2 4.11Å; I37-F39 HydrophobicContact CG2-CZ 3.87Å; F39-C46 HydrophobicContact CD1-CB 4.35Å; F39-V155 HydrophobicContact CD1-CG1 4.39Å; F39-V155 HydrophobicContact CE1-CG1 3.48Å; F39-V155 VanDerWaalsContact CE1-CG1 3.48Å; F39-V155 HydrophobicContact CZ-CG1 3.97Å; F39-H159 HydrophobicContact CD1-CB 4.15Å; F39-H159 AromaticContact CD1-CD2 3.79Å; F39-H159 AromaticContact CD1-CE1 3.97Å; F39-H159 AromaticContact CD1-CG 3.64Å; F39-H159 AromaticContact CD1-ND1 3.74Å; F39-H159 HydrophobicContact CE1-CB 3.96Å; F39-H159 AromaticContact CE1-CG 3.91Å; F39-A268 HydrophobicContact CE2-CB 4.06Å; F39-A268 WeakPolarHBondContact CE2-O 3.27Å; F39-A268 HydrophobicContact CZ-CB 4.25Å; F39-L269 HydrophobicContact CE1-CD2 3.86Å; F39-L269 HydrophobicContact CZ-CD2 3.76Å; F39-L269 HydrophobicContact CZ-CG 4.29Å; F39-D272 HydrophobicContact CD2-CB 3.61Å; F39-D272 HydrophobicContact CE2-CB 3.75Å; F39-D272 HydrophobicContact CG-CB 4.27Å
40G89.3Confident93.1Very high8 Ų838.1 Ų38.18%0.08219%0.186CC..  trans-77.5179.7171.600000112.6C45 R276G40-C45 PolarHBondContact N-O 3.42Å; G40-R276 PolarHBondContact O-NH2 3.34Å
41T88.6Confident92.9Very high92 Ų9234.9 Ų34.956%0.56418%0.181SC*.SBendtrans-70.2-44.5173.143.70000111R276T41-R276 PolarHBondContact O-NH1 3.22Å
42D90.4Very high92.9Very high66 Ų6638.8 Ų38.835%0.35320%0.195SC..SBendtrans-79.7150.4177.457.8-40.5000112.4C45 Q58 H159D42-C45 PolarHBondContact O-N 3.06Å; D42-C45 WeakPolarHBondContact OD1-CB 3.32Å; D42-Q58 PolarHBondContact OD2-NE2 2.96Å; D42-H159 PolarHBondContact O-CE1 2.88Å; D42-H159 VanDerWaalsContact O-CE1 3.3Å
43Y91.5Very high92.9Very high82 Ų8237.4 Ų37.432%0.32219%0.19SC..THydrogen-bonded Turntrans-71133.2174.6-68.7-73.8000110.1H159 R161Y43-H159 AromaticContact CD1-NE2 3.82Å; Y43-R161 HydrophobicContact CD1-CG 4.05Å; Y43-R161 HydrophobicContact CG-CB 4.37Å; Y43-R161 HydrophobicContact CG-CG 4.16Å
44G92.1Very high93Very high0 Ų039.8 Ų39.80%020%0.199CC..THydrogen-bonded Turntrans90.2-2.7-176.500000115.8Q58 V59 H159G44-Q58 WeakPolarHBondContact O-CA 3.1Å; G44-V59 PolarHBondContact O-N 3.29Å; G44-H159 PolarHBondContact N-ND1 3.38Å
45C95.1Very high93.2Very high16 Ų1635.1 Ų35.111%0.10817%0.174CC..  trans-91.8128.6169.8-178.40000111G40 D42 G57 H159G40-C45 PolarHBondContact N-O 3.42Å; D42-C45 PolarHBondContact O-N 3.06Å; D42-C45 WeakPolarHBondContact OD1-CB 3.32Å; C45-G57 WeakPolarHBondContact CA-O 3.33Å; C45-H159 PolarHBondContact O-ND1 2.99Å
46C95.3Very high93.3Very high0 Ų035.8 Ų35.80%018%0.178CC..EExtended strand (participates in β ladder)trans-147149.8174.271.70000112.5S38 F39 L56 G57 A152 V155S38-C46 CarbonylContact O-C 3.54Å; S38-C46 WeakPolarHBondContact O-CA 3.38Å; F39-C46 HydrophobicContact CD1-CB 4.35Å; C46-L56 CarbonylContact O-C 3.59Å; C46-L56 WeakPolarHBondContact O-CA 3.5Å; C46-G57 PolarHBondContact N-O 3.16Å; C46-G57 PolarHBondContact O-N 3.36Å; C46-A152 PolarHBondContact SG-O 3.47Å; C46-A152 VanDerWaalsContact SG-O 3.33Å; C46-V155 HydrophobicContact CB-CG1 3.76Å
47I95.4Very high93.5Very high18 Ų1830.5 Ų30.59%0.09216%0.158CC..EExtended strand (participates in β ladder)trans-122122.2171.6-66.1168.9000107.8S38 E49 V55 L56 F284S38-I47 PolarHBondContact N-O 3.12Å; S38-I47 PolarHBondContact O-N 3.27Å; I47-E49 HydrophobicContact CG2-CG 4.47Å; I47-V55 WeakPolarHBondContact CA-O 3.3Å; I47-L56 HydrophobicContact CD1-CD1 4.07Å; I47-L56 HydrophobicContact CG1-CB 4.45Å; I47-L56 HydrophobicContact CG1-CD1 3.52Å; I47-F284 HydrophobicContact CB-CE2 4.48Å; I47-F284 HydrophobicContact CD1-CD2 3.39Å; I47-F284 HydrophobicContact CD1-CE2 3.31Å; I47-F284 HydrophobicContact CD1-CG 4.08Å; I47-F284 HydrophobicContact CD1-CZ 3.96Å; I47-F284 HydrophobicContact CG1-CE2 4.46Å; I47-F284 HydrophobicContact CG2-CE2 4.29Å
48V95.7Very high93.7Very high0 Ų031.9 Ų31.90%016%0.164CC..EExtended strand (participates in β ladder)trans-106.4122.2176.21800000108.5I35 R36 I37 R54 V55 I151 A152I35-V48 HydrophobicContact CG2-CG1 4.14Å; R36-V48 WeakPolarHBondContact O-CA 3.24Å; I37-V48 HydrophobicContact CG1-CG2 4.48Å; V48-R54 WeakPolarHBondContact O-CA 3.48Å; V48-V55 PolarHBondContact N-O 2.86Å; V48-V55 PolarHBondContact O-N 2.95Å; V48-I151 HydrophobicContact CG1-CB 4.34Å; V48-I151 HydrophobicContact CG1-CG2 3.91Å; V48-I151 HydrophobicContact CG2-CG2 4.11Å; V48-A152 HydrophobicContact CB-CB 4.25Å; V48-A152 HydrophobicContact CG2-CB 3.82Å
49E94.5Very high93.9Very high16 Ų1630.9 Ų30.98%0.07516%0.157CC..EExtended strand (participates in β ladder)trans-103.1117.2170.9-45.9-170.1129.800109I35 R36 I47 T53 R54 R292I35-E49 CarbonylContact C-O 3.54Å; I35-E49 WeakPolarHBondContact CA-O 3.47Å; R36-E49 HydrophobicContact CB-CB 4.19Å; R36-E49 PolarHBondContact N-O 3.33Å; R36-E49 PolarHBondContact O-N 3.19Å; I47-E49 HydrophobicContact CG2-CG 4.47Å; E49-T53 CarbonylContact C-O 3.49Å; E49-T53 WeakPolarHBondContact CA-O 3.39Å; E49-R54 HydrophobicContact CB-CG 4.45Å; E49-R54 HydrophobicContact CG-CG 4.12Å; E49-R54 IonicContact OE1-CZ 3.64Å; E49-R54 IonicContact OE1-NE 3.51Å; E49-R54 PolarHBondContact OE1-NE 3.29Å; E49-R54 IonicContact OE1-NH2 2.74Å; E49-R54 PolarHBondContact OE1-NH2 2.91Å; E49-R54 VanDerWaalsContact OE1-NH2 3.17Å; E49-R292 IonicContact OE1-NH2 2.8Å
50L94.2Very high94Very high0 Ų031.8 Ų31.80%017%0.166CC..EExtended strand (participates in β ladder)trans-104.484.5170-16978.5000108Y32 R33 I35 K52 T53 N144 A148 D208Y32-L50 HydrophobicContact CD1-CD1 4.18Å; R33-L50 HydrophobicContact CB-CG 4.42Å; I35-L50 HydrophobicContact CB-CD1 4.49Å; I35-L50 HydrophobicContact CD1-CD1 3.86Å; I35-L50 HydrophobicContact CG1-CD1 3.71Å; I35-L50 HydrophobicContact CG2-CD1 4.42Å; L50-K52 PolarHBondContact O-N 3.36Å; L50-T53 PolarHBondContact N-O 3.2Å; L50-T53 PolarHBondContact O-N 3.49Å; L50-T53 VanDerWaalsContact O-N 3.08Å; L50-N144 HydrophobicContact CD2-CB 4.19Å; L50-A148 HydrophobicContact CB-CB 4.15Å; L50-A148 HydrophobicContact CD2-CB 4.3Å; L50-D208 WeakPolarHBondContact CD2-OD1 3.29Å
51G90.9Very high94.3Very high24 Ų2432.8 Ų32.825%0.24717%0.171CC..THydrogen-bonded Turntrans61.2-102.6-166.300000111.7N34N34-G51 PolarHBondContact O-N 3.37Å; N34-G51 WeakPolarHBondContact OD1-CA 3.39Å
52K91.8Very high94.6Very high134 Ų13434.1 Ų34.158%0.58317%0.171SC*.THydrogen-bonded Turntrans-100.7-19.5176.4-49.9-175.5-165.11580113.2L50 R54 N140 D142L50-K52 PolarHBondContact O-N 3.36Å; K52-R54 PolarHBondContact O-N 2.94Å; K52-N140 PolarHBondContact O-ND2 3.33Å; K52-D142 HydrophobicContact CB-CB 3.74Å; K52-D142 VanDerWaalsContact CB-OD2 3.32Å; K52-D142 WeakPolarHBondContact CB-OD2 3.07Å; K52-D142 VanDerWaalsContact CD-OD2 3.29Å; K52-D142 WeakPolarHBondContact CD-OD2 3.34Å; K52-D142 WeakPolarHBondContact CG-OD2 3.3Å
53T95.1Very high94.7Very high0 Ų033.2 Ų33.20%017%0.166CC..EExtended strand (participates in β ladder)trans-68.4129.2175.9-60.80000108.8E49 L50 L138 N140 D142 G143 A148E49-T53 CarbonylContact C-O 3.49Å; E49-T53 WeakPolarHBondContact CA-O 3.39Å; L50-T53 PolarHBondContact N-O 3.2Å; L50-T53 PolarHBondContact O-N 3.49Å; L50-T53 VanDerWaalsContact O-N 3.08Å; T53-L138 HydrophobicContact CG2-CD1 4.23Å; T53-N140 WeakPolarHBondContact CA-O 3.38Å; T53-D142 VanDerWaalsContact OG1-C 3.31Å; T53-D142 WeakPolarHBondContact OG1-CA 3.36Å; T53-D142 PolarHBondContact OG1-N 3.5Å; T53-D142 VanDerWaalsContact OG1-N 3.1Å; T53-G143 PolarHBondContact OG1-O 2.75Å; T53-A148 HydrophobicContact CG2-CB 4.2Å
54R95.4Very high94.9Very high69 Ų6931.3 Ų31.326%0.2616%0.163SC..EExtended strand (participates in β ladder)trans-126.8128.6-178.3-68-172.2175.9144.612.9110.5V48 E49 K52 L139 N140V48-R54 WeakPolarHBondContact O-CA 3.48Å; E49-R54 HydrophobicContact CB-CG 4.45Å; E49-R54 HydrophobicContact CG-CG 4.12Å; E49-R54 IonicContact OE1-CZ 3.64Å; E49-R54 IonicContact OE1-NE 3.51Å; E49-R54 PolarHBondContact OE1-NE 3.29Å; E49-R54 IonicContact OE1-NH2 2.74Å; E49-R54 PolarHBondContact OE1-NH2 2.91Å; E49-R54 VanDerWaalsContact OE1-NH2 3.17Å; K52-R54 PolarHBondContact O-N 2.94Å; R54-L139 HydrophobicContact CB-CB 4.01Å; R54-L139 PolarHBondContact O-N 3.03Å; R54-N140 HydrophobicContact CB-CB 4.1Å; R54-N140 HydrophobicContact CG-CB 4.37Å; R54-N140 PolarHBondContact N-O 3.48Å; R54-N140 PolarHBondContact O-N 3.39Å
55V96.7Very high94.9Very high2 Ų235 Ų351%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-125.5129.2175.8-176.30000108.6I47 V48 L136 L138 A148 A152I47-V55 WeakPolarHBondContact CA-O 3.3Å; V48-V55 PolarHBondContact N-O 2.86Å; V48-V55 PolarHBondContact O-N 2.95Å; V55-L136 HydrophobicContact CG1-CB 4.35Å; V55-L138 HydrophobicContact CG2-CD1 3.75Å; V55-A148 HydrophobicContact CG2-CB 3.8Å; V55-A152 HydrophobicContact CB-CB 4.17Å; V55-A152 HydrophobicContact CG1-CB 3.81Å
56L96.7Very high94.9Very high41 Ų4134.9 Ų34.922%0.21519%0.188CC..EExtended strand (participates in β ladder)trans-92.2132.7167.9174.270.8000108.1C46 I47 L136 H137 L139C46-L56 CarbonylContact O-C 3.59Å; C46-L56 WeakPolarHBondContact O-CA 3.5Å; I47-L56 HydrophobicContact CD1-CD1 4.07Å; I47-L56 HydrophobicContact CG1-CB 4.45Å; I47-L56 HydrophobicContact CG1-CD1 3.52Å; L56-L136 CarbonylContact O-C 3.59Å; L56-L136 VanDerWaalsContact O-CA 3.3Å; L56-L136 WeakPolarHBondContact O-CA 2.82Å; L56-H137 HydrophobicContact CB-CB 4.32Å; L56-H137 PolarHBondContact N-O 3.19Å; L56-H137 PolarHBondContact O-N 3.38Å; L56-L139 HydrophobicContact CB-CD1 4.07Å; L56-L139 HydrophobicContact CB-CG 4.2Å
57G96.6Very high94.8Very high0 Ų041.4 Ų41.40%022%0.216CC..EExtended strand (participates in β ladder)trans-120129.2170.500000110.5C45 C46 D135C45-G57 WeakPolarHBondContact CA-O 3.33Å; C46-G57 PolarHBondContact N-O 3.16Å; C46-G57 PolarHBondContact O-N 3.36Å; G57-D135 WeakPolarHBondContact CA-O 3.35Å
58Q96.7Very high94.6Very high54 Ų5448.8 Ų48.825%0.25226%0.255SS..EExtended strand (participates in β ladder)trans-124137.7175.6-171.365.619.300109.5D42 G44 V134 D135D42-Q58 PolarHBondContact OD2-NE2 2.96Å; G44-Q58 WeakPolarHBondContact O-CA 3.1Å; Q58-V134 WeakPolarHBondContact O-CA 3.3Å; Q58-D135 PolarHBondContact N-O 3.41Å; Q58-D135 PolarHBondContact O-N 2.8Å
59V97.1Very high94.4Very high4 Ų456.3 Ų56.32%0.02430%0.295CS..EExtended strand (participates in β ladder)trans-114.1129.6172.5-173.90000109.5G44 I132 R133 V134 A156 L157 F160G44-V59 PolarHBondContact O-N 3.29Å; V59-I132 HydrophobicContact CG1-CG2 3.63Å; V59-R133 CarbonylContact C-O 3.53Å; V59-R133 WeakPolarHBondContact CA-O 3.27Å; V59-V134 HydrophobicContact CG1-CG2 4.38Å; V59-V134 HydrophobicContact CG2-CG1 4.35Å; V59-V134 HydrophobicContact CG2-CG2 4.11Å; V59-A156 HydrophobicContact CG2-CB 3.64Å; V59-L157 HydrophobicContact CG2-CD2 4.42Å; V59-F160 HydrophobicContact CB-CB 3.92Å; V59-F160 HydrophobicContact CB-CD2 3.59Å; V59-F160 HydrophobicContact CB-CE2 4.25Å; V59-F160 HydrophobicContact CB-CG 3.74Å; V59-F160 HydrophobicContact CG1-CB 4Å; V59-F160 HydrophobicContact CG1-CD1 3.79Å; V59-F160 HydrophobicContact CG1-CD2 3.66Å; V59-F160 HydrophobicContact CG1-CE1 4.16Å; V59-F160 HydrophobicContact CG1-CE2 4.05Å; V59-F160 HydrophobicContact CG1-CG 3.51Å; V59-F160 HydrophobicContact CG1-CZ 4.3Å; V59-F160 HydrophobicContact CG2-CB 4.17Å; V59-F160 WeakPolarHBondContact O-CE2 3.45Å
60S95.7Very high94.2Very high41 Ų4162.5 Ų62.529%0.28732%0.318SS..EExtended strand (participates in β ladder)trans-119.2154.5172.353.50000110.2R133S60-R133 PolarHBondContact N-O 3.38Å; S60-R133 PolarHBondContact O-N 3.19Å; S60-R133 WeakPolarHBondContact OG-CB 3.45Å; S60-R133 PolarHBondContact OG-O 3.38Å
61C94.3Very high94.1Very high30 Ų3064.1 Ų64.120%0.20333%0.331CS..EExtended strand (participates in β ladder)trans-140.9133.9-178.1-168.20000110.9Q131 F160C61-Q131 WeakPolarHBondContact CA-O 3.34Å; C61-F160 HydrophobicContact CB-CE1 3.87Å; C61-F160 HydrophobicContact CB-CZ 3.44Å; C61-F160 VanDerWaalsContact CB-CZ 3.44Å
62E94.4Very high94.2Very high119 Ų11967.2 Ų67.256%0.55635%0.346SS*.EExtended strand (participates in β ladder)trans-137.7154-177.1-65.6178.4174.200110.2V64 Q131E62-V64 HydrophobicContact CB-CG2 4.23Å; E62-Q131 PolarHBondContact N-O 3Å; E62-Q131 PolarHBondContact O-N 3.23Å
63L93.4Very high94.3Very high47 Ų4763.3 Ų63.325%0.24633%0.329CS..EExtended strand (participates in β ladder)trans-92.8116.7171.3-83.5128.6000110.3V123 K128 W130 L174L63-V123 HydrophobicContact CD2-CG2 4.18Å; L63-K128 HydrophobicContact CD2-CB 4.1Å; L63-W130 HydrophobicContact CD1-CE3 4.12Å; L63-W130 HydrophobicContact CD1-CH2 3.46Å; L63-W130 VanDerWaalsContact CD1-CH2 3.46Å; L63-W130 HydrophobicContact CD1-CZ2 4.13Å; L63-W130 HydrophobicContact CD1-CZ3 3.46Å; L63-W130 VanDerWaalsContact CD1-CZ3 3.46Å; L63-W130 HydrophobicContact CG-CD2 4.23Å; L63-W130 HydrophobicContact CG-CE3 3.76Å; L63-W130 HydrophobicContact CG-CH2 3.99Å; L63-W130 HydrophobicContact CG-CZ2 4.42Å; L63-W130 HydrophobicContact CG-CZ3 3.63Å; L63-L174 HydrophobicContact CD1-CD1 3.71Å; L63-L174 HydrophobicContact CD1-CD2 3.3Å; L63-L174 HydrophobicContact CD1-CG 3.95Å
64V94.8Very high94.1Very high43 Ų4363.4 Ų63.426%0.26133%0.33SS..EExtended strand (participates in β ladder)trans-130.9156.4-176.5-175.30000109.2E62 V129 Q131E62-V64 HydrophobicContact CB-CG2 4.23Å; V64-V129 PolarHBondContact N-O 2.63Å; V64-V129 WeakPolarHBondContact O-CG2 3.02Å; V64-V129 PolarHBondContact O-N 3.32Å; V64-Q131 HydrophobicContact CB-CB 4.17Å; V64-Q131 HydrophobicContact CG2-CB 3.86Å
65S93.4Very high94Very high78 Ų7861.6 Ų61.655%0.54533%0.325SS..PPolyproline II helixtrans-69136.4171.251.50000110.8E127S65-E127 VanDerWaalsContact CA-O 3.3Å; S65-E127 WeakPolarHBondContact CA-O 3.32Å
66P94.8Very high93.9Very high13 Ų1362 Ų628%0.08433%0.327CS..PPolyproline II helixtrans-67.5163.3-179.426.9-32.7000111.4V129P66-V129 HydrophobicContact CB-CB 4.35Å; P66-V129 HydrophobicContact CB-CG1 3.7Å; P66-V129 HydrophobicContact CB-CG2 3.68Å; P66-V129 HydrophobicContact CG-CG1 3.89Å; P66-V129 HydrophobicContact CG-CG2 4.38Å
67K92.4Very high93.8Very high136 Ų13664.3 Ų64.359%0.59134%0.336SS*.PPolyproline II helixtrans-68.8138.9170.8-66.3-177.9-179.4179.40109.8N69 R70 I75K67-N69 PolarHBondContact O-N 3.45Å; K67-R70 CarbonylContact O-C 3.58Å; K67-R70 PolarHBondContact O-N 3.47Å; K67-I75 HydrophobicContact CG-CD1 4.14Å
68L91.1Very high93.6Very high173 Ų17365.3 Ų65.391%0.90634%0.34SS*.THydrogen-bonded Turntrans-53.4-34.7-179.3-61.3176.5000113.7R70L68-R70 VanDerWaalsContact C-N 3.28Å; L68-R70 PolarHBondContact O-N 2.85Å
69N93.4Very high93.5Very high158 Ų15864.9 Ų64.985%0.84534%0.34SS*.THydrogen-bonded Turntrans-69.8-25.4-179.6-66.3-19.1000113.3K67K67-N69 PolarHBondContact O-N 3.45Å
70R90.1Very high93.3Very high146 Ų14664.8 Ų64.855%0.55134%0.339SS*.  trans-145.781.2-176-58.5-176.7178.5-176.9-3.4109.6K67 L68 T72 E73K67-R70 CarbonylContact O-C 3.58Å; K67-R70 PolarHBondContact O-N 3.47Å; L68-R70 VanDerWaalsContact C-N 3.28Å; L68-R70 PolarHBondContact O-N 2.85Å; R70-T72 VanDerWaalsContact C-N 3.28Å; R70-T72 PolarHBondContact O-N 2.78Å; R70-E73 HydrophobicContact CB-CG 3.71Å; R70-E73 WeakPolarHBondContact CD-OE1 3.48Å; R70-E73 WeakPolarHBondContact CD-OE2 3.39Å; R70-E73 IonicContact CZ-OE1 3.03Å; R70-E73 IonicContact CZ-OE2 3.18Å; R70-E73 IonicContact NE-OE1 3.21Å; R70-E73 IonicContact NH1-OE1 2.88Å; R70-E73 PolarHBondContact NH1-OE1 3.04Å; R70-E73 IonicContact NH1-OE2 2.67Å; R70-E73 PolarHBondContact NH1-OE2 2.98Å; R70-E73 VanDerWaalsContact NH1-OE2 3.16Å
71A91.3Very high93.1Very high35 Ų3567.1 Ų67.129%0.28935%0.345SS..THydrogen-bonded Turntrans-73.8-15-17600000114.5G126A71-G126 PolarHBondContact O-N 3.47Å
72T93Very high93Very high89 Ų8966.6 Ų66.655%0.54634%0.34SS..THydrogen-bonded Turntrans-106.75.3-173.358.40000113.7R70 C122 A125R70-T72 VanDerWaalsContact C-N 3.28Å; R70-T72 PolarHBondContact O-N 2.78Å; T72-C122 WeakPolarHBondContact O-CB 3.13Å; T72-A125 HydrophobicContact CG2-CB 4.3Å
73E93.1Very high92.7Very high51 Ų5162.3 Ų62.324%0.23832%0.324CS..SBendtrans-123144.1178.876.8178.6-159.400111.1R70 T118R70-E73 HydrophobicContact CB-CG 3.71Å; R70-E73 WeakPolarHBondContact CD-OE1 3.48Å; R70-E73 WeakPolarHBondContact CD-OE2 3.39Å; R70-E73 IonicContact CZ-OE1 3.03Å; R70-E73 IonicContact CZ-OE2 3.18Å; R70-E73 IonicContact NE-OE1 3.21Å; R70-E73 IonicContact NH1-OE1 2.88Å; R70-E73 PolarHBondContact NH1-OE1 3.04Å; R70-E73 IonicContact NH1-OE2 2.67Å; R70-E73 PolarHBondContact NH1-OE2 2.98Å; R70-E73 VanDerWaalsContact NH1-OE2 3.16Å; E73-T118 CarbonylContact C-O 3.51Å; E73-T118 WeakPolarHBondContact CA-O 3.12Å
74G92.6Very high92.5Very high2 Ų263.7 Ų63.72%0.02133%0.329CS..  trans-71.2162.917000000112.7T118 W130G74-T118 PolarHBondContact N-O 3.3Å; G74-W130 VanDerWaalsContact CA-O 3.3Å; G74-W130 WeakPolarHBondContact CA-O 3.46Å
75I93.2Very high92.2Very high31 Ų3168.9 Ų68.916%0.15935%0.352CS..EExtended strand (participates in β ladder)trans-104.3131.3-176.1-57.2173.2000109K67 W130 Q131 I132K67-I75 HydrophobicContact CG-CD1 4.14Å; I75-W130 PolarHBondContact N-O 3.21Å; I75-Q131 HydrophobicContact CB-CB 4.41Å; I75-Q131 HydrophobicContact CB-CG 4.24Å; I75-Q131 HydrophobicContact CG2-CG 4.38Å; I75-Q131 CarbonylContact O-C 3.59Å; I75-Q131 VanDerWaalsContact O-CA 3.3Å; I75-Q131 WeakPolarHBondContact O-CA 3.41Å; I75-I132 PolarHBondContact O-N 2.81Å
76L93.2Very high92Very high10 Ų1065.5 Ų65.55%0.05233%0.329CS..EExtended strand (participates in β ladder)trans-113.9121175.2-176.164.5000110.3F78 R111 I116 I132 V134L76-F78 HydrophobicContact CD1-CE1 4.45Å; L76-F78 HydrophobicContact CD1-CE2 4.26Å; L76-F78 HydrophobicContact CD1-CZ 3.96Å; L76-F78 HydrophobicContact CD2-CD2 4.27Å; L76-F78 HydrophobicContact CD2-CE2 3.2Å; L76-F78 HydrophobicContact CD2-CZ 3.36Å; L76-F78 HydrophobicContact CG-CD2 4.15Å; L76-F78 HydrophobicContact CG-CE2 3.48Å; L76-F78 VanDerWaalsContact CG-CE2 3.48Å; L76-F78 HydrophobicContact CG-CZ 3.67Å; L76-R111 PolarHBondContact O-NH2 2.95Å; L76-I116 HydrophobicContact CB-CD1 4.17Å; L76-I116 HydrophobicContact CD1-CD1 3.55Å; L76-I116 HydrophobicContact CD2-CD1 3.38Å; L76-I116 HydrophobicContact CD2-CG1 3.79Å; L76-I116 HydrophobicContact CG-CD1 3.88Å; L76-I132 CarbonylContact C-O 3.16Å; L76-I132 WeakPolarHBondContact CA-O 3.47Å; L76-I132 HydrophobicContact CD1-CB 3.97Å; L76-I132 HydrophobicContact CD1-CG2 3.94Å; L76-V134 HydrophobicContact CD1-CG2 4.46Å
77F94.3Very high91.7Very high90 Ų9065.2 Ų65.240%0.39533%0.328SS..EExtended strand (participates in β ladder)trans-113.4132.8177.6-169.3-103.3000110.4N79 I132 R133 V134F77-N79 HydrophobicContact CD1-CB 4.42Å; F77-N79 HydrophobicContact CE1-CB 3.88Å; F77-I132 PolarHBondContact N-O 3Å; F77-R133 HydrophobicContact CB-CB 4.36Å; F77-R133 HydrophobicContact CD1-CG 4Å; F77-R133 CarbonylContact O-C 3.57Å; F77-R133 WeakPolarHBondContact O-CA 3.18Å; F77-V134 PolarHBondContact O-N 2.98Å
78F93.9Very high91.4Very high21 Ų2161.8 Ų61.89%0.09232%0.32CS..EExtended strand (participates in β ladder)trans-120.3134176.7-70.8-72.9000109.1L76 L110 V134 L157L76-F78 HydrophobicContact CD1-CE1 4.45Å; L76-F78 HydrophobicContact CD1-CE2 4.26Å; L76-F78 HydrophobicContact CD1-CZ 3.96Å; L76-F78 HydrophobicContact CD2-CD2 4.27Å; L76-F78 HydrophobicContact CD2-CE2 3.2Å; L76-F78 HydrophobicContact CD2-CZ 3.36Å; L76-F78 HydrophobicContact CG-CD2 4.15Å; L76-F78 HydrophobicContact CG-CE2 3.48Å; L76-F78 VanDerWaalsContact CG-CE2 3.48Å; L76-F78 HydrophobicContact CG-CZ 3.67Å; F78-L110 HydrophobicContact CD1-CD1 3.86Å; F78-L110 HydrophobicContact CD2-CB 4.44Å; F78-L110 HydrophobicContact CE1-CB 4.23Å; F78-L110 HydrophobicContact CE1-CD1 3.29Å; F78-L110 HydrophobicContact CE1-CG 4.35Å; F78-L110 HydrophobicContact CE2-CB 3.51Å; F78-L110 HydrophobicContact CE2-CD1 4.07Å; F78-L110 HydrophobicContact CE2-CG 4.42Å; F78-L110 HydrophobicContact CZ-CB 3.4Å; F78-L110 VanDerWaalsContact CZ-CB 3.4Å; F78-L110 HydrophobicContact CZ-CD1 3.4Å; F78-L110 HydrophobicContact CZ-CG 3.99Å; F78-V134 HydrophobicContact CD1-CB 3.67Å; F78-V134 HydrophobicContact CD1-CG1 4.24Å; F78-V134 HydrophobicContact CD1-CG2 4.06Å; F78-V134 HydrophobicContact CE1-CB 3.8Å; F78-V134 HydrophobicContact CE1-CG1 4.3Å; F78-V134 HydrophobicContact CE1-CG2 3.69Å; F78-L157 HydrophobicContact CE1-CD1 4.35Å; F78-L157 HydrophobicContact CZ-CD1 4.45Å
79N94.2Very high91.1Very high45 Ų4555 Ų5524%0.24129%0.288CS..EExtended strand (participates in β ladder)trans-139.3116.1176.3177.348.9000108.9F77 V134 D135 L136F77-N79 HydrophobicContact CD1-CB 4.42Å; F77-N79 HydrophobicContact CE1-CB 3.88Å; N79-V134 PolarHBondContact N-O 3.41Å; N79-D135 WeakPolarHBondContact CB-OD1 3.34Å; N79-D135 PolarHBondContact ND2-OD1 3.32Å; N79-D135 CarbonylContact O-C 3.57Å; N79-D135 WeakPolarHBondContact O-CA 3.5Å; N79-L136 PolarHBondContact O-N 3.13Å
80L93.4Very high90.8Very high3 Ų348.6 Ų48.62%0.01625%0.253CS..EExtended strand (participates in β ladder)trans-99.3127.4166.1-177.4151000107.6L82 L99 L102 N103 L106 L136 I145 A149L80-L82 HydrophobicContact CD2-CD2 3.86Å; L80-L82 HydrophobicContact CD2-CG 4.13Å; L80-L99 HydrophobicContact CD2-CD1 3.69Å; L80-L99 WeakPolarHBondContact O-CD1 3.33Å; L80-L102 HydrophobicContact CD2-CB 4.49Å; L80-L102 HydrophobicContact CD2-CD1 4.31Å; L80-N103 WeakPolarHBondContact CA-OD1 3.47Å; L80-N103 WeakPolarHBondContact CB-OD1 3.3Å; L80-N103 PolarHBondContact N-OD1 3.45Å; L80-N103 PolarHBondContact O-ND2 2.93Å; L80-L106 HydrophobicContact CB-CD1 4.31Å; L80-L106 HydrophobicContact CD1-CD1 3.44Å; L80-L106 VanDerWaalsContact CD1-CD1 3.44Å; L80-L136 CarbonylContact C-O 3.57Å; L80-L136 WeakPolarHBondContact CA-O 3.39Å; L80-L136 HydrophobicContact CB-CB 4.34Å; L80-L136 HydrophobicContact CD1-CD1 4.41Å; L80-L136 HydrophobicContact CG-CB 4.34Å; L80-I145 HydrophobicContact CD1-CG2 4.47Å; L80-A149 HydrophobicContact CD1-CB 3.78Å
81E91.7Very high90.5Very high89 Ų8946.5 Ų46.542%0.41625%0.249SC..EExtended strand (participates in β ladder)trans-114.5134.6174.3-170.4-173.4173.700109.9L136 H137 L138E81-L136 PolarHBondContact N-O 2.84Å; E81-H137 IonicContact OE2-CE1 3.32Å; E81-H137 PolarHBondContact OE2-CE1 3.44Å; E81-H137 IonicContact OE2-ND1 2.63Å; E81-H137 PolarHBondContact OE2-ND1 2.87Å; E81-L138 PolarHBondContact O-N 3.33Å
82L91.3Very high90Very high19 Ų1950 Ų5010%0.09927%0.269CS..EExtended strand (participates in β ladder)trans-92105.7172.5-62171.4000108.3L80 F90 L98 L99 L102 L138L80-L82 HydrophobicContact CD2-CD2 3.86Å; L80-L82 HydrophobicContact CD2-CG 4.13Å; L82-F90 HydrophobicContact CB-CB 4.41Å; L82-F90 HydrophobicContact CB-CD2 3.97Å; L82-F90 HydrophobicContact CB-CE2 4.42Å; L82-F90 HydrophobicContact CB-CG 4.13Å; L82-F90 HydrophobicContact CD1-CD1 4.29Å; L82-F90 HydrophobicContact CD1-CE1 4.21Å; L82-F90 HydrophobicContact CD1-CZ 4.36Å; L82-F90 HydrophobicContact CD2-CE2 4.22Å; L82-F90 HydrophobicContact CD2-CZ 4.49Å; L82-L98 HydrophobicContact CD1-CD2 4.32Å; L82-L99 HydrophobicContact CD1-CB 4.04Å; L82-L99 HydrophobicContact CD1-CD1 4.15Å; L82-L99 HydrophobicContact CG-CD1 3.96Å; L82-L102 HydrophobicContact CD2-CD1 4.47Å; L82-L138 HydrophobicContact CD2-CB 4.09Å; L82-L138 HydrophobicContact CD2-CD2 3.45Å; L82-L138 VanDerWaalsContact CD2-CD2 3.45Å; L82-L138 HydrophobicContact CD2-CG 4.43Å
83S88.6Confident89Confident29 Ų2949.5 Ų49.520%0.20328%0.282CS..  trans-67.5144.5175.5-172.10000110.6M85 A86 L138S83-M85 PolarHBondContact O-N 3.34Å; S83-M85 VanDerWaalsContact O-N 3.14Å; S83-M85 PolarHBondContact OG-N 3.47Å; S83-A86 WeakPolarHBondContact O-CB 3.37Å; S83-A86 PolarHBondContact O-N 3.35Å; S83-L138 WeakPolarHBondContact CB-O 3.42Å; S83-L138 PolarHBondContact N-O 3.44Å
84Q88.9Confident88.1Confident76 Ų7656.1 Ų56.136%0.35531%0.305SS..THydrogen-bonded Turntrans-58.3-24.2170.9-178.663.983.500112.4A86 A87 P88 F90Q84-A86 VanDerWaalsContact C-N 3.27Å; Q84-A86 PolarHBondContact O-N 2.99Å; Q84-A87 PolarHBondContact NE2-O 2.97Å; Q84-P88 PolarHBondContact NE2-O 2.97Å; Q84-F90 WeakPolarHBondContact CA-O 3.49Å; Q84-F90 PolarHBondContact NE2-O 3.25Å; Q84-F90 PolarHBondContact OE1-O 3.03Å
85M89.3Confident86.9Confident152 Ų15262.4 Ų62.475%0.74933%0.333SS*.THydrogen-bonded Turntrans-68.8-24.7174.9-64.9177.564.400113S83 L139S83-M85 PolarHBondContact O-N 3.34Å; S83-M85 VanDerWaalsContact O-N 3.14Å; S83-M85 PolarHBondContact OG-N 3.47Å; M85-L139 CarbonylContact C-O 3.52Å
86A89.1Confident86.4Confident7 Ų762.3 Ų62.36%0.05834%0.336CS..THydrogen-bonded Turntrans-73.7-41.3-174.200000112.7S83 Q84 F90 L138 L139 H141S83-A86 WeakPolarHBondContact O-CB 3.37Å; S83-A86 PolarHBondContact O-N 3.35Å; Q84-A86 VanDerWaalsContact C-N 3.27Å; Q84-A86 PolarHBondContact O-N 2.99Å; A86-F90 HydrophobicContact CB-CD2 3.99Å; A86-F90 HydrophobicContact CB-CE2 4.09Å; A86-L138 HydrophobicContact CB-CB 4.26Å; A86-L138 HydrophobicContact CB-CD2 3.81Å; A86-L138 HydrophobicContact CB-CG 3.67Å; A86-L138 WeakPolarHBondContact CB-O 3.43Å; A86-L139 WeakPolarHBondContact CA-O 3.18Å; A86-L139 PolarHBondContact N-O 3.5Å; A86-H141 HydrophobicContact CB-CB 4.23Å; A86-H141 WeakPolarHBondContact O-CB 3.38Å; A86-H141 PolarHBondContact O-N 2.9Å
87A87Confident86.1Confident8 Ų868.9 Ų68.97%0.06637%0.371CS..  trans-150.3145.7172.300000109.8Q84 A89 F90 H141Q84-A87 PolarHBondContact NE2-O 2.97Å; A87-A89 PolarHBondContact O-N 3.46Å; A87-F90 HydrophobicContact CB-CD2 3.65Å; A87-F90 HydrophobicContact CB-CE1 4.49Å; A87-F90 HydrophobicContact CB-CE2 3.59Å; A87-F90 HydrophobicContact CB-CG 4.13Å; A87-F90 HydrophobicContact CB-CZ 4.04Å; A87-F90 PolarHBondContact O-N 2.91Å; A87-F90 VanDerWaalsContact O-N 3.09Å; A87-H141 HydrophobicContact CB-CB 4.48Å
88P87.1Confident85.9Confident64 Ų6467.6 Ų67.642%0.41637%0.368SS..THydrogen-bonded Turntrans-61.7-19.2177.925.4-34.4000113.2M1 Q84 F90M1-P88 CarbonylContact C-O 3.5Å; M1-P88 HydrophobicContact CB-CB 3.92Å; Q84-P88 PolarHBondContact NE2-O 2.97Å; P88-F90 VanDerWaalsContact C-N 3.35Å
89A85.3Confident85.8Confident30 Ų3067.4 Ų67.425%0.24837%0.368CS..THydrogen-bonded Turntrans-73-23.1178.200000114.4E3 A87 E91E3-A89 HydrophobicContact CG-CB 3.33Å; E3-A89 WeakPolarHBondContact OE1-CB 3.37Å; A87-A89 PolarHBondContact O-N 3.46Å; A89-E91 PolarHBondContact O-N 3.22Å; A89-E91 VanDerWaalsContact O-N 3.12Å
90F86.8Confident85.7Confident24 Ų2469.3 Ų69.311%0.10538%0.381CS..  trans-87.284.8-171.2-62.5-27000110.5L82 Q84 A86 A87 P88 L98 L138 H141L82-F90 HydrophobicContact CB-CB 4.41Å; L82-F90 HydrophobicContact CB-CD2 3.97Å; L82-F90 HydrophobicContact CB-CE2 4.42Å; L82-F90 HydrophobicContact CB-CG 4.13Å; L82-F90 HydrophobicContact CD1-CD1 4.29Å; L82-F90 HydrophobicContact CD1-CE1 4.21Å; L82-F90 HydrophobicContact CD1-CZ 4.36Å; L82-F90 HydrophobicContact CD2-CE2 4.22Å; L82-F90 HydrophobicContact CD2-CZ 4.49Å; Q84-F90 WeakPolarHBondContact CA-O 3.49Å; Q84-F90 PolarHBondContact NE2-O 3.25Å; Q84-F90 PolarHBondContact OE1-O 3.03Å; A86-F90 HydrophobicContact CB-CD2 3.99Å; A86-F90 HydrophobicContact CB-CE2 4.09Å; A87-F90 HydrophobicContact CB-CD2 3.65Å; A87-F90 HydrophobicContact CB-CE1 4.49Å; A87-F90 HydrophobicContact CB-CE2 3.59Å; A87-F90 HydrophobicContact CB-CG 4.13Å; A87-F90 HydrophobicContact CB-CZ 4.04Å; A87-F90 PolarHBondContact O-N 2.91Å; A87-F90 VanDerWaalsContact O-N 3.09Å; P88-F90 VanDerWaalsContact C-N 3.35Å; F90-L98 HydrophobicContact CE1-CD2 4.03Å; F90-L98 HydrophobicContact CZ-CD2 4.03Å; F90-L138 HydrophobicContact CE2-CD2 4Å; F90-H141 HydrophobicContact CE2-CB 4.36Å
91E82.8Confident85.6Confident101 Ų10172 Ų7247%0.47239%0.392SS..  trans-78.3130.4174.9-67.7177.7171.600110.7M1 A89M1-E91 PolarHBondContact N-OE1 3.43Å; A89-E91 PolarHBondContact O-N 3.22Å; A89-E91 VanDerWaalsContact O-N 3.12Å
92P80.3Confident85.7Confident108 Ų10868 Ų6870%0.70137%0.374SS*.THydrogen-bonded Turntrans-64.6145.8179.927.4-34.2000110.9R94P92-R94 VanDerWaalsContact C-N 3.27Å; P92-R94 PolarHBondContact O-N 3Å
93G73Confident85.8Confident79 Ų7968.8 Ų68.881%0.81438%0.378SS*.THydrogen-bonded Turntrans85.9-18.1179.700000114.9Q95G93-Q95 PolarHBondContact O-N 3.43Å
94R74.5Confident86.1Confident190 Ų19075 Ų7572%0.71740%0.397SS*.  trans-85.9107.9170.3-171.2176.2178.6-164-1.4110.1P92 S96P92-R94 VanDerWaalsContact C-N 3.27Å; P92-R94 PolarHBondContact O-N 3Å; R94-S96 VanDerWaalsContact C-N 3.35Å; R94-S96 PolarHBondContact O-N 2.94Å
95Q68Low86.4Confident134 Ų13471.5 Ų71.563%0.62638%0.381SS*.  trans-66.395169.8-65.4-63-40.600109.1G93G93-Q95 PolarHBondContact O-N 3.43Å
96S80.9Confident86.6Confident30 Ų3064.5 Ų64.521%0.2135%0.346CS..  trans-72.1148.3178.962.30000110.9R94 L98 L99 V100R94-S96 VanDerWaalsContact C-N 3.35Å; R94-S96 PolarHBondContact O-N 2.94Å; S96-L98 PolarHBondContact O-N 3.16Å; S96-L98 VanDerWaalsContact O-N 3.14Å; S96-L99 WeakPolarHBondContact O-CB 3.23Å; S96-L99 PolarHBondContact O-N 3.49Å; S96-L99 WeakPolarHBondContact OG-CB 3.48Å; S96-L99 PolarHBondContact OG-N 3.44Å; S96-V100 PolarHBondContact O-N 2.86Å; S96-V100 VanDerWaalsContact O-N 3.13Å
97D88.8Confident86.7Confident148 Ų14866.3 Ų66.379%0.79135%0.354SS*.Hα-helixtrans-55.4-33.2174-62.4-39.1000111.5K101D97-K101 VanDerWaalsContact O-CB 3.24Å; D97-K101 WeakPolarHBondContact O-CB 3.46Å; D97-K101 PolarHBondContact O-N 3.44Å
98L89Confident87.1Confident63 Ų6370 Ų7033%0.3337%0.366SS..Hα-helixtrans-60.6-51.6173.3-177.663.2000110.9L82 F90 S96 V100 K101 L102 I145L82-L98 HydrophobicContact CD1-CD2 4.32Å; F90-L98 HydrophobicContact CE1-CD2 4.03Å; F90-L98 HydrophobicContact CZ-CD2 4.03Å; S96-L98 PolarHBondContact O-N 3.16Å; S96-L98 VanDerWaalsContact O-N 3.14Å; L98-V100 PolarHBondContact O-N 3.32Å; L98-K101 PolarHBondContact O-N 3.03Å; L98-L102 HydrophobicContact CD1-CD1 3.88Å; L98-L102 HydrophobicContact CD1-CD2 4.32Å; L98-L102 HydrophobicContact CD1-CG 3.93Å; L98-L102 HydrophobicContact CD2-CD1 4.44Å; L98-L102 HydrophobicContact CG-CD1 3.77Å; L98-L102 HydrophobicContact CG-CG 4.19Å; L98-L102 WeakPolarHBondContact O-CB 3.48Å; L98-L102 WeakPolarHBondContact O-CG 3.34Å; L98-L102 PolarHBondContact O-N 3.48Å; L98-I145 HydrophobicContact CD2-CD1 4.15Å
99L91.3Very high87.4Confident17 Ų1767 Ų679%0.08935%0.346CS..Hα-helixtrans-57.2-48.8-179.8-174.657.6000111.9L80 L82 S96 K101 L102 N103L80-L99 HydrophobicContact CD2-CD1 3.69Å; L80-L99 WeakPolarHBondContact O-CD1 3.33Å; L82-L99 HydrophobicContact CD1-CB 4.04Å; L82-L99 HydrophobicContact CD1-CD1 4.15Å; L82-L99 HydrophobicContact CG-CD1 3.96Å; S96-L99 WeakPolarHBondContact O-CB 3.23Å; S96-L99 PolarHBondContact O-N 3.49Å; S96-L99 WeakPolarHBondContact OG-CB 3.48Å; S96-L99 PolarHBondContact OG-N 3.44Å; L99-K101 VanDerWaalsContact C-N 3.35Å; L99-K101 PolarHBondContact O-N 3.34Å; L99-L102 PolarHBondContact O-N 2.96Å; L99-N103 WeakPolarHBondContact CD1-ND2 3.25Å; L99-N103 VanDerWaalsContact O-CB 3.29Å; L99-N103 WeakPolarHBondContact O-CB 3.35Å; L99-N103 PolarHBondContact O-N 3.28Å
100V92Very high87.7Confident84 Ų8465.7 Ų65.751%0.50934%0.335SS..Hα-helixtrans-61.9-44.4179.8178.40000110.8S96 L98 R104S96-V100 PolarHBondContact O-N 2.86Å; S96-V100 VanDerWaalsContact O-N 3.13Å; L98-V100 PolarHBondContact O-N 3.32Å; V100-R104 WeakPolarHBondContact O-CB 3.3Å; V100-R104 PolarHBondContact O-N 3.16Å
101K92.6Very high87.9Confident61 Ų6169.4 Ų69.427%0.26535%0.348SS..Hα-helixtrans-62.3-47.1177.8-177.9-170.7175.1-165.80111.7D97 L98 L99 L105 S237D97-K101 VanDerWaalsContact O-CB 3.24Å; D97-K101 WeakPolarHBondContact O-CB 3.46Å; D97-K101 PolarHBondContact O-N 3.44Å; L98-K101 PolarHBondContact O-N 3.03Å; L99-K101 VanDerWaalsContact C-N 3.35Å; L99-K101 PolarHBondContact O-N 3.34Å; K101-L105 VanDerWaalsContact O-CB 3.25Å; K101-L105 WeakPolarHBondContact O-CB 3.49Å; K101-L105 PolarHBondContact O-N 2.93Å; K101-S237 PolarHBondContact NZ-OG 3.33Å
102L93.4Very high88.2Confident5 Ų570 Ų703%0.02635%0.354CS..Hα-helixtrans-65.3-50.3-178.9-68.2179.8000111.3L80 L82 L98 L99 R104 L105 L106 I145 I146L80-L102 HydrophobicContact CD2-CB 4.49Å; L80-L102 HydrophobicContact CD2-CD1 4.31Å; L82-L102 HydrophobicContact CD2-CD1 4.47Å; L98-L102 HydrophobicContact CD1-CD1 3.88Å; L98-L102 HydrophobicContact CD1-CD2 4.32Å; L98-L102 HydrophobicContact CD1-CG 3.93Å; L98-L102 HydrophobicContact CD2-CD1 4.44Å; L98-L102 HydrophobicContact CG-CD1 3.77Å; L98-L102 HydrophobicContact CG-CG 4.19Å; L98-L102 WeakPolarHBondContact O-CB 3.48Å; L98-L102 WeakPolarHBondContact O-CG 3.34Å; L98-L102 PolarHBondContact O-N 3.48Å; L99-L102 PolarHBondContact O-N 2.96Å; L102-R104 PolarHBondContact O-N 3.12Å; L102-L105 PolarHBondContact O-N 2.96Å; L102-L106 WeakPolarHBondContact O-CG 2.86Å; L102-L106 PolarHBondContact O-N 3.23Å; L102-I145 HydrophobicContact CD1-CB 4.28Å; L102-I145 HydrophobicContact CD1-CD1 4.07Å; L102-I145 HydrophobicContact CD1-CG2 3.9Å; L102-I146 HydrophobicContact CD2-CB 4.45Å; L102-I146 HydrophobicContact CD2-CD1 3.71Å; L102-I146 HydrophobicContact CD2-CG1 3.12Å
103N93.8Very high88.6Confident35 Ų3565.7 Ų65.719%0.18733%0.327CS..Hα-helixtrans-57.7-49178.4-92.6-41.5000111.4L80 L99 L105 L106 E107L80-N103 WeakPolarHBondContact CA-OD1 3.47Å; L80-N103 WeakPolarHBondContact CB-OD1 3.3Å; L80-N103 PolarHBondContact N-OD1 3.45Å; L80-N103 PolarHBondContact O-ND2 2.93Å; L99-N103 WeakPolarHBondContact CD1-ND2 3.25Å; L99-N103 VanDerWaalsContact O-CB 3.29Å; L99-N103 WeakPolarHBondContact O-CB 3.35Å; L99-N103 PolarHBondContact O-N 3.28Å; N103-L105 VanDerWaalsContact C-N 3.31Å; N103-L105 PolarHBondContact O-N 3.18Å; N103-L106 PolarHBondContact O-N 3.41Å; N103-E107 VanDerWaalsContact O-CB 3.28Å; N103-E107 WeakPolarHBondContact O-CB 3.33Å; N103-E107 PolarHBondContact O-N 2.81Å
104R93.8Very high89.5Confident160 Ų16069.2 Ų69.260%0.60432%0.32SS*.Hα-helixtrans-65.2-36.6-179.2-169.259.2169.5167.3-3.1112.4V100 L102 E107 R108V100-R104 WeakPolarHBondContact O-CB 3.3Å; V100-R104 PolarHBondContact O-N 3.16Å; L102-R104 PolarHBondContact O-N 3.12Å; R104-E107 IonicContact CZ-OE2 3.43Å; R104-E107 IonicContact NH1-OE1 2.81Å; R104-E107 IonicContact NH1-OE2 3.76Å; R104-E107 PolarHBondContact NH1-OE2 3.39Å; R104-R108 WeakPolarHBondContact O-CB 3.2Å; R104-R108 PolarHBondContact O-N 3.14Å
105L94.8Very high90.3Very high2 Ų260.2 Ų60.21%0.0129%0.286CS..Hα-helixtrans-66.7-47.3176.4174.656.6000111.6K101 L102 N103 R108 C109 I146 V222 Q235K101-L105 VanDerWaalsContact O-CB 3.25Å; K101-L105 WeakPolarHBondContact O-CB 3.49Å; K101-L105 PolarHBondContact O-N 2.93Å; L102-L105 PolarHBondContact O-N 2.96Å; N103-L105 VanDerWaalsContact C-N 3.31Å; N103-L105 PolarHBondContact O-N 3.18Å; L105-R108 PolarHBondContact O-N 3.43Å; L105-C109 VanDerWaalsContact O-CB 3.28Å; L105-C109 WeakPolarHBondContact O-CB 3.08Å; L105-C109 PolarHBondContact O-N 3.47Å; L105-I146 HydrophobicContact CD2-CD1 3.9Å; L105-I146 HydrophobicContact CD2-CG1 4.31Å; L105-I146 HydrophobicContact CD2-CG2 3.74Å; L105-V222 HydrophobicContact CD2-CB 4.17Å; L105-V222 HydrophobicContact CD2-CG1 4.09Å; L105-V222 HydrophobicContact CD2-CG2 4.05Å; L105-Q235 HydrophobicContact CD1-CB 4.24Å; L105-Q235 VanDerWaalsContact CD1-OE1 3.31Å
106L93.9Very high91.5Very high5 Ų554.3 Ų54.33%0.02626%0.259CS..Hα-helixtrans-64.4-45.6178.5-73.3171.6000111.7L80 L102 N103 R108 C109 L110 L136 A149L80-L106 HydrophobicContact CB-CD1 4.31Å; L80-L106 HydrophobicContact CD1-CD1 3.44Å; L80-L106 VanDerWaalsContact CD1-CD1 3.44Å; L102-L106 WeakPolarHBondContact O-CG 2.86Å; L102-L106 PolarHBondContact O-N 3.23Å; N103-L106 PolarHBondContact O-N 3.41Å; L106-R108 VanDerWaalsContact C-N 3.32Å; L106-R108 PolarHBondContact O-N 3.26Å; L106-C109 WeakPolarHBondContact O-CB 3.48Å; L106-C109 PolarHBondContact O-N 3.4Å; L106-C109 VanDerWaalsContact O-N 3.15Å; L106-L110 PolarHBondContact O-N 3.08Å; L106-L136 HydrophobicContact CD1-CD1 3.95Å; L106-A149 HydrophobicContact CD1-CB 3.79Å; L106-A149 HydrophobicContact CD2-CB 4.34Å
107E92.8Very high92.1Very high45 Ų4554.7 Ų54.721%0.2126%0.259CS..Hα-helixtrans-57.9-46.9175.5-174.2-169.2-162.500110.6N103 R104 C109 R111N103-E107 VanDerWaalsContact O-CB 3.28Å; N103-E107 WeakPolarHBondContact O-CB 3.33Å; N103-E107 PolarHBondContact O-N 2.81Å; R104-E107 IonicContact CZ-OE2 3.43Å; R104-E107 IonicContact NH1-OE1 2.81Å; R104-E107 IonicContact NH1-OE2 3.76Å; R104-E107 PolarHBondContact NH1-OE2 3.39Å; E107-C109 VanDerWaalsContact C-N 3.33Å; E107-C109 PolarHBondContact O-N 3.36Å; E107-R111 WeakPolarHBondContact O-CA 3.4Å; E107-R111 WeakPolarHBondContact O-CB 3.38Å; E107-R111 PolarHBondContact O-N 2.86Å; E107-R111 IonicContact OE1-CZ 2.81Å; E107-R111 IonicContact OE1-NH1 3.69Å; E107-R111 PolarHBondContact OE1-NH1 3.27Å; E107-R111 IonicContact OE1-NH2 3.65Å; E107-R111 PolarHBondContact OE1-NH2 3.32Å
108R94.1Very high92.3Very high86 Ų8649.4 Ų49.433%0.32523%0.232SC..Hα-helixtrans-63.9-39.5177.3-169.8175.959.2177-1.1111.7R104 L105 L106 N112 T233R104-R108 WeakPolarHBondContact O-CB 3.2Å; R104-R108 PolarHBondContact O-N 3.14Å; L105-R108 PolarHBondContact O-N 3.43Å; L106-R108 VanDerWaalsContact C-N 3.32Å; L106-R108 PolarHBondContact O-N 3.26Å; R108-N112 WeakPolarHBondContact CG-ND2 3.24Å; R108-N112 WeakPolarHBondContact O-CB 3.41Å; R108-N112 PolarHBondContact O-N 3.5Å; R108-T233 HydrophobicContact CG-CG2 3.9Å
109C93.5Very high92.4Very high1 Ų153.1 Ų53.11%0.00725%0.247CC..Hα-helixtrans-63.2-51.6179.5-174.10000111.2L105 L106 E107 S113 A224L105-C109 VanDerWaalsContact O-CB 3.28Å; L105-C109 WeakPolarHBondContact O-CB 3.08Å; L105-C109 PolarHBondContact O-N 3.47Å; L106-C109 WeakPolarHBondContact O-CB 3.48Å; L106-C109 PolarHBondContact O-N 3.4Å; L106-C109 VanDerWaalsContact O-N 3.15Å; E107-C109 VanDerWaalsContact C-N 3.33Å; E107-C109 PolarHBondContact O-N 3.36Å; C109-S113 WeakPolarHBondContact O-CB 3.39Å; C109-S113 PolarHBondContact O-N 2.65Å; C109-A224 WeakPolarHBondContact SG-CB 3.37Å
110L92.1Very high92.5Very high2 Ų254 Ų541%0.0126%0.255CS..Hα-helixtrans-82.2-44.9-172.9-63169.5000112F78 L106 K114 C115 A153 I154 P191F78-L110 HydrophobicContact CD1-CD1 3.86Å; F78-L110 HydrophobicContact CD2-CB 4.44Å; F78-L110 HydrophobicContact CE1-CB 4.23Å; F78-L110 HydrophobicContact CE1-CD1 3.29Å; F78-L110 HydrophobicContact CE1-CG 4.35Å; F78-L110 HydrophobicContact CE2-CB 3.51Å; F78-L110 HydrophobicContact CE2-CD1 4.07Å; F78-L110 HydrophobicContact CE2-CG 4.42Å; F78-L110 HydrophobicContact CZ-CB 3.4Å; F78-L110 VanDerWaalsContact CZ-CB 3.4Å; F78-L110 HydrophobicContact CZ-CD1 3.4Å; F78-L110 HydrophobicContact CZ-CG 3.99Å; L106-L110 PolarHBondContact O-N 3.08Å; L110-K114 PolarHBondContact O-N 3.46Å; L110-C115 PolarHBondContact O-SG 2.93Å; L110-A153 HydrophobicContact CD1-CB 3.79Å; L110-I154 HydrophobicContact CD2-CD1 3.48Å; L110-I154 VanDerWaalsContact CD2-CD1 3.48Å; L110-I154 HydrophobicContact CD2-CG1 4.23Å; L110-P191 HydrophobicContact CD2-CG 3.89Å
111R90.8Very high92.5Very high102 Ų10250.1 Ų50.139%0.38523%0.232SC..Hα-helixtrans-72.1-47.6-177.5-169.6-178.3-75.2161.85.1112.6L76 E107 S113 K114L76-R111 PolarHBondContact O-NH2 2.95Å; E107-R111 WeakPolarHBondContact O-CA 3.4Å; E107-R111 WeakPolarHBondContact O-CB 3.38Å; E107-R111 PolarHBondContact O-N 2.86Å; E107-R111 IonicContact OE1-CZ 2.81Å; E107-R111 IonicContact OE1-NH1 3.69Å; E107-R111 PolarHBondContact OE1-NH1 3.27Å; E107-R111 IonicContact OE1-NH2 3.65Å; E107-R111 PolarHBondContact OE1-NH2 3.32Å; R111-S113 VanDerWaalsContact C-N 3.31Å; R111-S113 PolarHBondContact O-N 2.93Å; R111-K114 PolarHBondContact O-N 3.03Å
112N88.6Confident92.5Very high112 Ų11248.9 Ų48.960%0.59923%0.23SC*.Hα-helixtrans-74.8-26.3-177-642.1000112.3R108 K114R108-N112 WeakPolarHBondContact CG-ND2 3.24Å; R108-N112 WeakPolarHBondContact O-CB 3.41Å; R108-N112 PolarHBondContact O-N 3.5Å; N112-K114 PolarHBondContact O-N 3.3Å
113S89.4Confident92.4Very high19 Ų1950 Ų5013%0.13324%0.237CC..Hα-helixtrans-70.2-15.7173.8-1720000112.1C109 R111 C115 H189 C232C109-S113 WeakPolarHBondContact O-CB 3.39Å; C109-S113 PolarHBondContact O-N 2.65Å; R111-S113 VanDerWaalsContact C-N 3.31Å; R111-S113 PolarHBondContact O-N 2.93Å; S113-C115 PolarHBondContact O-N 2.93Å; S113-H189 PolarHBondContact O-CE1 2.82Å; S113-H189 PolarHBondContact O-NE2 2.88Å; S113-H189 PolarHBondContact OG-CD2 2.9Å; S113-H189 PolarHBondContact OG-NE2 3.29Å; S113-C232 PolarHBondContact OG-SG 3.06Å
114K91.2Very high92.3Very high153 Ų15349.7 Ų49.767%0.66524%0.236SC*.THydrogen-bonded Turntrans50.448.2-173.2-60-173.4174.5-167.10111.2L110 R111 N112 I116 H189L110-K114 PolarHBondContact O-N 3.46Å; R111-K114 PolarHBondContact O-N 3.03Å; N112-K114 PolarHBondContact O-N 3.3Å; K114-I116 VanDerWaalsContact C-N 3.25Å; K114-I116 PolarHBondContact O-N 3.01Å; K114-H189 PolarHBondContact O-CE1 3.05Å
115C91.4Very high92.2Very high1 Ų145.2 Ų45.21%0.00723%0.233CC..  trans-65.2-33.3-17860.60000112L110 S113 I187 H188 H189 P191L110-C115 PolarHBondContact O-SG 2.93Å; S113-C115 PolarHBondContact O-N 2.93Å; C115-I187 WeakPolarHBondContact O-CG2 3.3Å; C115-H188 PolarHBondContact O-N 2.82Å; C115-H189 WeakPolarHBondContact CB-O 3.33Å; C115-H189 PolarHBondContact O-N 2.6Å; C115-P191 HydrophobicContact CB-CG 3.89Å
116I93.1Very high92Very high10 Ų1047.4 Ų47.45%0.05126%0.256CS..BIsolated β-bridgetrans-105.3149174.764.5166.4000111.2L76 K114 T118 L121 L157 I187L76-I116 HydrophobicContact CB-CD1 4.17Å; L76-I116 HydrophobicContact CD1-CD1 3.55Å; L76-I116 HydrophobicContact CD2-CD1 3.38Å; L76-I116 HydrophobicContact CD2-CG1 3.79Å; L76-I116 HydrophobicContact CG-CD1 3.88Å; K114-I116 VanDerWaalsContact C-N 3.25Å; K114-I116 PolarHBondContact O-N 3.01Å; I116-T118 HydrophobicContact CG1-CG2 4.39Å; I116-T118 PolarHBondContact O-N 3.39Å; I116-L121 HydrophobicContact CD1-CD1 4.36Å; I116-L157 HydrophobicContact CG2-CD1 4.33Å; I116-I187 HydrophobicContact CG2-CG1 4.37Å
117D93.4Very high91.8Very high38 Ų3851.4 Ų51.420%0.20328%0.275CS..  trans-81100.9174.6-174.3-6.9000110.5E119 S120 S186 H188D117-E119 VanDerWaalsContact C-N 3.29Å; D117-E119 PolarHBondContact O-N 2.96Å; D117-E119 WeakPolarHBondContact OD1-CB 3.37Å; D117-E119 PolarHBondContact OD1-N 3.47Å; D117-S120 PolarHBondContact O-OG 2.84Å; D117-S120 PolarHBondContact OD1-N 2.85Å; D117-S120 WeakPolarHBondContact OD2-CB 3.26Å; D117-S186 PolarHBondContact N-O 2.84Å; D117-H188 WeakPolarHBondContact CB-NE2 3.42Å
118T92.5Very high91.8Very high37 Ų3753.1 Ų53.123%0.22728%0.282CS..SBendtrans-73.7-19177.251.40000113.2E73 G74 I116 L121E73-T118 CarbonylContact C-O 3.51Å; E73-T118 WeakPolarHBondContact CA-O 3.12Å; G74-T118 PolarHBondContact N-O 3.3Å; I116-T118 HydrophobicContact CG1-CG2 4.39Å; I116-T118 PolarHBondContact O-N 3.39Å; T118-L121 WeakPolarHBondContact O-CB 3.28Å; T118-L121 PolarHBondContact O-N 3.22Å
119E92.3Very high91.8Very high140 Ų14049 Ų4965%0.65427%0.266SS*.SBendtrans-76.3-37.1178.8-60.4175.5-171.800110D117 L121 C122D117-E119 VanDerWaalsContact C-N 3.29Å; D117-E119 PolarHBondContact O-N 2.96Å; D117-E119 WeakPolarHBondContact OD1-CB 3.37Å; D117-E119 PolarHBondContact OD1-N 3.47Å; E119-L121 PolarHBondContact O-N 3.46Å; E119-C122 WeakPolarHBondContact O-CB 3.41Å; E119-C122 PolarHBondContact O-N 2.88Å; E119-C122 VanDerWaalsContact O-N 3.11Å
120S92.7Very high91.9Very high36 Ų3649.2 Ų49.225%0.25227%0.267SS..THydrogen-bonded Turntrans-61.6-13.5173.576.70000114.8D117D117-S120 PolarHBondContact O-OG 2.84Å; D117-S120 PolarHBondContact OD1-N 2.85Å; D117-S120 WeakPolarHBondContact OD2-CB 3.26Å
121L92.6Very high92.1Very high3 Ų351.3 Ų51.32%0.01628%0.277CS..THydrogen-bonded Turntrans-91.9-5.2-179.7-65-179.7000113.3I116 T118 E119 W130 I132 L185I116-L121 HydrophobicContact CD1-CD1 4.36Å; T118-L121 WeakPolarHBondContact O-CB 3.28Å; T118-L121 PolarHBondContact O-N 3.22Å; E119-L121 PolarHBondContact O-N 3.46Å; L121-W130 HydrophobicContact CB-CB 4.06Å; L121-W130 HydrophobicContact CD2-CB 4.19Å; L121-W130 PolarHBondContact O-N 2.8Å; L121-I132 HydrophobicContact CD1-CD1 3.6Å; L121-I132 HydrophobicContact CD1-CG1 4.2Å; L121-I132 HydrophobicContact CD2-CD1 3.66Å; L121-I132 HydrophobicContact CD2-CG1 4.5Å; L121-I132 HydrophobicContact CG-CD1 4.3Å; L121-L185 HydrophobicContact CD2-CD2 4.11Å
122C92.6Very high92.3Very high35 Ų3546.4 Ų46.424%0.23626%0.258CS..EExtended strand (participates in β ladder)trans-79.6128.3175.4-176.50000110.6T72 E119 V129T72-C122 WeakPolarHBondContact O-CB 3.13Å; E119-C122 WeakPolarHBondContact O-CB 3.41Å; E119-C122 PolarHBondContact O-N 2.88Å; E119-C122 VanDerWaalsContact O-N 3.11Å; C122-V129 HydrophobicContact CB-CG1 4.26Å
123V91.9Very high92.7Very high29 Ų2945.6 Ų45.618%0.17625%0.247CC..EExtended strand (participates in β ladder)trans-99.7-60.7176.6-175.60000109.5L63 K128 W130 V165 V167 V172L63-V123 HydrophobicContact CD2-CG2 4.18Å; V123-K128 PolarHBondContact N-O 2.85Å; V123-W130 HydrophobicContact CG2-CG 4.44Å; V123-W130 VanDerWaalsContact CG2-NE1 3.31Å; V123-V165 HydrophobicContact CG1-CG2 4.37Å; V123-V165 HydrophobicContact CG2-CG2 4.2Å; V123-V167 HydrophobicContact CG1-CG2 3.31Å; V123-V172 HydrophobicContact CG1-CG1 4.12Å; V123-V172 HydrophobicContact CG1-CG2 4.15Å
124V92Very high93Very high27 Ų2744.7 Ų44.716%0.16424%0.241CC..EExtended strand (participates in β ladder)trans-124.7116.7173.6-178.60000108.3G126 E127 K128 V167 V172V124-G126 PolarHBondContact O-N 3.45Å; V124-E127 HydrophobicContact CB-CB 4.33Å; V124-E127 HydrophobicContact CG1-CB 3.99Å; V124-E127 PolarHBondContact O-N 2.84Å; V124-E127 VanDerWaalsContact O-N 3.15Å; V124-K128 HydrophobicContact CB-CB 4.48Å; V124-K128 PolarHBondContact N-O 2.92Å; V124-K128 PolarHBondContact O-N 2.76Å; V124-K128 VanDerWaalsContact O-O 3.09Å; V124-V167 HydrophobicContact CG2-CG1 4.02Å; V124-V172 HydrophobicContact CG2-CG2 3.82Å
125A91.5Very high93.3Very high66 Ų6638.3 Ų38.355%0.54521%0.214SC..THydrogen-bonded Turntrans-59.2125.8-176.400000111.1T72 E127T72-A125 HydrophobicContact CG2-CB 4.3Å; A125-E127 VanDerWaalsContact C-N 3.27Å; A125-E127 PolarHBondContact O-N 2.94Å
126G89Confident93.5Very high48 Ų4838.5 Ų38.550%0.49522%0.215SC..THydrogen-bonded Turntrans82.7-11.817900000115.9A71 V124A71-G126 PolarHBondContact O-N 3.47Å; V124-G126 PolarHBondContact O-N 3.45Å
127E91.1Very high93.6Very high89 Ų8940.5 Ų40.542%0.41622%0.223SC..THydrogen-bonded Turntrans-118.2-53.5-177.2-162.1-170.8161.400113.1S65 V124 A125S65-E127 VanDerWaalsContact CA-O 3.3Å; S65-E127 WeakPolarHBondContact CA-O 3.32Å; V124-E127 HydrophobicContact CB-CB 4.33Å; V124-E127 HydrophobicContact CG1-CB 3.99Å; V124-E127 PolarHBondContact O-N 2.84Å; V124-E127 VanDerWaalsContact O-N 3.15Å; A125-E127 VanDerWaalsContact C-N 3.27Å; A125-E127 PolarHBondContact O-N 2.94Å
128K91.9Very high93.7Very high81 Ų8138.7 Ų38.735%0.35221%0.214SC..EExtended strand (participates in β ladder)trans-136.6119.4-174.1-61.2-64.6179.7179.90111.2L63 V123 V124L63-K128 HydrophobicContact CD2-CB 4.1Å; V123-K128 PolarHBondContact N-O 2.85Å; V124-K128 HydrophobicContact CB-CB 4.48Å; V124-K128 PolarHBondContact N-O 2.92Å; V124-K128 PolarHBondContact O-N 2.76Å; V124-K128 VanDerWaalsContact O-O 3.09Å
129V94.6Very high93.7Very high0 Ų039.5 Ų39.50%022%0.216CC..EExtended strand (participates in β ladder)trans-129.9156.1172.2-58.90000110.4V64 P66 C122 Q131V64-V129 PolarHBondContact N-O 2.63Å; V64-V129 WeakPolarHBondContact O-CG2 3.02Å; V64-V129 PolarHBondContact O-N 3.32Å; P66-V129 HydrophobicContact CB-CB 4.35Å; P66-V129 HydrophobicContact CB-CG1 3.7Å; P66-V129 HydrophobicContact CB-CG2 3.68Å; P66-V129 HydrophobicContact CG-CG1 3.89Å; P66-V129 HydrophobicContact CG-CG2 4.38Å; C122-V129 HydrophobicContact CB-CG1 4.26Å; V129-Q131 PolarHBondContact O-N 3.44Å
130W95.5Very high93.9Very high6 Ų635.6 Ų35.62%0.02320%0.2CC..EExtended strand (participates in β ladder)trans-72.6128.8171.4-67.1110000110.5L63 G74 I75 L121 V123 P163 V165 L174L63-W130 HydrophobicContact CD1-CE3 4.12Å; L63-W130 HydrophobicContact CD1-CH2 3.46Å; L63-W130 VanDerWaalsContact CD1-CH2 3.46Å; L63-W130 HydrophobicContact CD1-CZ2 4.13Å; L63-W130 HydrophobicContact CD1-CZ3 3.46Å; L63-W130 VanDerWaalsContact CD1-CZ3 3.46Å; L63-W130 HydrophobicContact CG-CD2 4.23Å; L63-W130 HydrophobicContact CG-CE3 3.76Å; L63-W130 HydrophobicContact CG-CH2 3.99Å; L63-W130 HydrophobicContact CG-CZ2 4.42Å; L63-W130 HydrophobicContact CG-CZ3 3.63Å; G74-W130 VanDerWaalsContact CA-O 3.3Å; G74-W130 WeakPolarHBondContact CA-O 3.46Å; I75-W130 PolarHBondContact N-O 3.21Å; L121-W130 HydrophobicContact CB-CB 4.06Å; L121-W130 HydrophobicContact CD2-CB 4.19Å; L121-W130 PolarHBondContact O-N 2.8Å; V123-W130 HydrophobicContact CG2-CG 4.44Å; V123-W130 VanDerWaalsContact CG2-NE1 3.31Å; W130-P163 HydrophobicContact CH2-CG 3.75Å; W130-P163 HydrophobicContact CZ3-CG 4.34Å; W130-V165 HydrophobicContact CH2-CG1 4.04Å; W130-V165 HydrophobicContact CZ2-CB 4.39Å; W130-V165 HydrophobicContact CZ2-CG1 3.45Å; W130-V165 VanDerWaalsContact CZ2-CG1 3.45Å; W130-V165 HydrophobicContact CZ2-CG2 4.01Å; W130-L174 HydrophobicContact CH2-CD2 3.68Å; W130-L174 HydrophobicContact CZ2-CD2 4.25Å
131Q95.6Very high93.9Very high45 Ų4535.1 Ų35.121%0.2119%0.194CC..EExtended strand (participates in β ladder)trans-100.4116.8164179.7172.4-38.800108.2C61 E62 V64 I75 V129C61-Q131 WeakPolarHBondContact CA-O 3.34Å; E62-Q131 PolarHBondContact N-O 3Å; E62-Q131 PolarHBondContact O-N 3.23Å; V64-Q131 HydrophobicContact CB-CB 4.17Å; V64-Q131 HydrophobicContact CG2-CB 3.86Å; I75-Q131 HydrophobicContact CB-CB 4.41Å; I75-Q131 HydrophobicContact CB-CG 4.24Å; I75-Q131 HydrophobicContact CG2-CG 4.38Å; I75-Q131 CarbonylContact O-C 3.59Å; I75-Q131 VanDerWaalsContact O-CA 3.3Å; I75-Q131 WeakPolarHBondContact O-CA 3.41Å; V129-Q131 PolarHBondContact O-N 3.44Å
132I95.9Very high93.8Very high0 Ų036.3 Ų36.30%020%0.2CC..EExtended strand (participates in β ladder)trans-102126.7174.2-61.5178.6000107.9V59 I75 L76 F77 L121 V134 L157 L185V59-I132 HydrophobicContact CG1-CG2 3.63Å; I75-I132 PolarHBondContact O-N 2.81Å; L76-I132 CarbonylContact C-O 3.16Å; L76-I132 WeakPolarHBondContact CA-O 3.47Å; L76-I132 HydrophobicContact CD1-CB 3.97Å; L76-I132 HydrophobicContact CD1-CG2 3.94Å; F77-I132 PolarHBondContact N-O 3Å; L121-I132 HydrophobicContact CD1-CD1 3.6Å; L121-I132 HydrophobicContact CD1-CG1 4.2Å; L121-I132 HydrophobicContact CD2-CD1 3.66Å; L121-I132 HydrophobicContact CD2-CG1 4.5Å; L121-I132 HydrophobicContact CG-CD1 4.3Å; I132-V134 HydrophobicContact CG2-CG2 4.37Å; I132-L157 HydrophobicContact CG2-CD2 4.29Å; I132-L185 HydrophobicContact CD1-CD1 3.75Å; I132-L185 HydrophobicContact CD1-CD2 3.57Å; I132-L185 HydrophobicContact CD1-CG 4.33Å
133R96Very high93.7Very high95 Ų9534.7 Ų34.736%0.35819%0.189SC..EExtended strand (participates in β ladder)trans-115.8128.3175.6167.3169.7-176.2-177.70.2109.3V59 S60 F77 D135V59-R133 CarbonylContact C-O 3.53Å; V59-R133 WeakPolarHBondContact CA-O 3.27Å; S60-R133 PolarHBondContact N-O 3.38Å; S60-R133 PolarHBondContact O-N 3.19Å; S60-R133 WeakPolarHBondContact OG-CB 3.45Å; S60-R133 PolarHBondContact OG-O 3.38Å; F77-R133 HydrophobicContact CB-CB 4.36Å; F77-R133 HydrophobicContact CD1-CG 4Å; F77-R133 CarbonylContact O-C 3.57Å; F77-R133 WeakPolarHBondContact O-CA 3.18Å; R133-D135 WeakPolarHBondContact CG-OD2 3.32Å; R133-D135 IonicContact CZ-OD1 3.67Å; R133-D135 IonicContact CZ-OD2 3.89Å; R133-D135 VanDerWaalsContact NE-CG 3.31Å; R133-D135 IonicContact NE-OD1 3.68Å; R133-D135 PolarHBondContact NE-OD1 3.42Å; R133-D135 IonicContact NE-OD2 2.83Å; R133-D135 PolarHBondContact NE-OD2 3.23Å; R133-D135 IonicContact NH2-OD1 2.98Å; R133-D135 PolarHBondContact NH2-OD1 3.08Å; R133-D135 IonicContact NH2-OD2 3Å
134V96.4Very high93.8Very high0 Ų033.3 Ų33.30%018%0.181CC..EExtended strand (participates in β ladder)trans-113.2113.8175.2-175.40000107.9Q58 V59 L76 F77 F78 N79 I132 L136 A153 L157Q58-V134 WeakPolarHBondContact O-CA 3.3Å; V59-V134 HydrophobicContact CG1-CG2 4.38Å; V59-V134 HydrophobicContact CG2-CG1 4.35Å; V59-V134 HydrophobicContact CG2-CG2 4.11Å; L76-V134 HydrophobicContact CD1-CG2 4.46Å; F77-V134 PolarHBondContact O-N 2.98Å; F78-V134 HydrophobicContact CD1-CB 3.67Å; F78-V134 HydrophobicContact CD1-CG1 4.24Å; F78-V134 HydrophobicContact CD1-CG2 4.06Å; F78-V134 HydrophobicContact CE1-CB 3.8Å; F78-V134 HydrophobicContact CE1-CG1 4.3Å; F78-V134 HydrophobicContact CE1-CG2 3.69Å; N79-V134 PolarHBondContact N-O 3.41Å; I132-V134 HydrophobicContact CG2-CG2 4.37Å; V134-L136 HydrophobicContact CG1-CD2 4.21Å; V134-L136 HydrophobicContact CG1-CG 4.48Å; V134-A153 HydrophobicContact CG1-CB 4.46Å; V134-L157 HydrophobicContact CG2-CD1 4.47Å; V134-L157 HydrophobicContact CG2-CD2 3.65Å; V134-L157 HydrophobicContact CG2-CG 4.05Å
135D96.3Very high93.9Very high19 Ų1932.4 Ų32.410%0.10218%0.175CC..EExtended strand (participates in β ladder)trans-102.2126175.3-66.3-64.7000109.1G57 Q58 N79 R133G57-D135 WeakPolarHBondContact CA-O 3.35Å; Q58-D135 PolarHBondContact N-O 3.41Å; Q58-D135 PolarHBondContact O-N 2.8Å; N79-D135 WeakPolarHBondContact CB-OD1 3.34Å; N79-D135 PolarHBondContact ND2-OD1 3.32Å; N79-D135 CarbonylContact O-C 3.57Å; N79-D135 WeakPolarHBondContact O-CA 3.5Å; R133-D135 WeakPolarHBondContact CG-OD2 3.32Å; R133-D135 IonicContact CZ-OD1 3.67Å; R133-D135 IonicContact CZ-OD2 3.89Å; R133-D135 VanDerWaalsContact NE-CG 3.31Å; R133-D135 IonicContact NE-OD1 3.68Å; R133-D135 PolarHBondContact NE-OD1 3.42Å; R133-D135 IonicContact NE-OD2 2.83Å; R133-D135 PolarHBondContact NE-OD2 3.23Å; R133-D135 IonicContact NH2-OD1 2.98Å; R133-D135 PolarHBondContact NH2-OD1 3.08Å; R133-D135 IonicContact NH2-OD2 3Å
136L96.4Very high94.1Very high5 Ų529.7 Ų29.73%0.02615%0.151CC..EExtended strand (participates in β ladder)trans-113.5121.6175.5-57.7175.6000108.6V55 L56 N79 L80 E81 L106 V134 A149 A152 A153V55-L136 HydrophobicContact CG1-CB 4.35Å; L56-L136 CarbonylContact O-C 3.59Å; L56-L136 VanDerWaalsContact O-CA 3.3Å; L56-L136 WeakPolarHBondContact O-CA 2.82Å; N79-L136 PolarHBondContact O-N 3.13Å; L80-L136 CarbonylContact C-O 3.57Å; L80-L136 WeakPolarHBondContact CA-O 3.39Å; L80-L136 HydrophobicContact CB-CB 4.34Å; L80-L136 HydrophobicContact CD1-CD1 4.41Å; L80-L136 HydrophobicContact CG-CB 4.34Å; E81-L136 PolarHBondContact N-O 2.84Å; L106-L136 HydrophobicContact CD1-CD1 3.95Å; V134-L136 HydrophobicContact CG1-CD2 4.21Å; V134-L136 HydrophobicContact CG1-CG 4.48Å; L136-A149 HydrophobicContact CD1-CB 4.01Å; L136-A152 HydrophobicContact CD2-CB 4.07Å; L136-A153 HydrophobicContact CD1-CB 4.15Å; L136-A153 HydrophobicContact CD2-CB 4.2Å
137H95.3Very high94.4Very high51 Ų5127.4 Ų27.424%0.23613%0.128CC..EExtended strand (participates in β ladder)trans-109.2119.4174.8-57.9-80.3000109.5L56 E81 L139L56-H137 HydrophobicContact CB-CB 4.32Å; L56-H137 PolarHBondContact N-O 3.19Å; L56-H137 PolarHBondContact O-N 3.38Å; E81-H137 IonicContact OE2-CE1 3.32Å; E81-H137 PolarHBondContact OE2-CE1 3.44Å; E81-H137 IonicContact OE2-ND1 2.63Å; E81-H137 PolarHBondContact OE2-ND1 2.87Å; H137-L139 PolarHBondContact O-N 2.86Å
138L94.9Very high94.6Very high1 Ų123.2 Ų23.21%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-74.4116.4170.8-174.665.7000108.5T53 V55 E81 L82 S83 A86 F90 H141 I145T53-L138 HydrophobicContact CG2-CD1 4.23Å; V55-L138 HydrophobicContact CG2-CD1 3.75Å; E81-L138 PolarHBondContact O-N 3.33Å; L82-L138 HydrophobicContact CD2-CB 4.09Å; L82-L138 HydrophobicContact CD2-CD2 3.45Å; L82-L138 VanDerWaalsContact CD2-CD2 3.45Å; L82-L138 HydrophobicContact CD2-CG 4.43Å; S83-L138 WeakPolarHBondContact CB-O 3.42Å; S83-L138 PolarHBondContact N-O 3.44Å; A86-L138 HydrophobicContact CB-CB 4.26Å; A86-L138 HydrophobicContact CB-CD2 3.81Å; A86-L138 HydrophobicContact CB-CG 3.67Å; A86-L138 WeakPolarHBondContact CB-O 3.43Å; F90-L138 HydrophobicContact CE2-CD2 4Å; L138-H141 HydrophobicContact CD2-CB 4.14Å; L138-I145 HydrophobicContact CD1-CG1 4.36Å; L138-I145 HydrophobicContact CD1-CG2 4.11Å; L138-I145 HydrophobicContact CD2-CD1 3.83Å; L138-I145 HydrophobicContact CD2-CG1 3.97Å; L138-I145 HydrophobicContact CD2-CG2 4.23Å
139L94.1Very high94.8Very high53 Ų5319.3 Ų19.328%0.2779%0.091SC..EExtended strand (participates in β ladder)trans-93.2-40.9-178.8-62.1179.2000112.2R54 L56 M85 A86 H137R54-L139 HydrophobicContact CB-CB 4.01Å; R54-L139 PolarHBondContact O-N 3.03Å; L56-L139 HydrophobicContact CB-CD1 4.07Å; L56-L139 HydrophobicContact CB-CG 4.2Å; M85-L139 CarbonylContact C-O 3.52Å; A86-L139 WeakPolarHBondContact CA-O 3.18Å; A86-L139 PolarHBondContact N-O 3.5Å; H137-L139 PolarHBondContact O-N 2.86Å
140N94.6Very high94.9Very high59 Ų5919.4 Ų19.432%0.3169%0.092SC..EExtended strand (participates in β ladder)trans-140133179.2-168.922.2000110.1K52 T53 R54K52-N140 PolarHBondContact O-ND2 3.33Å; T53-N140 WeakPolarHBondContact CA-O 3.38Å; R54-N140 HydrophobicContact CB-CB 4.1Å; R54-N140 HydrophobicContact CG-CB 4.37Å; R54-N140 PolarHBondContact N-O 3.48Å; R54-N140 PolarHBondContact O-N 3.39Å
141H92.6Very high95Very high25 Ų2519.1 Ų19.112%0.1169%0.091CC..  trans-107.4112.7178.4-178.352.3000110.7A86 A87 F90 L138 I145 E214A86-H141 HydrophobicContact CB-CB 4.23Å; A86-H141 WeakPolarHBondContact O-CB 3.38Å; A86-H141 PolarHBondContact O-N 2.9Å; A87-H141 HydrophobicContact CB-CB 4.48Å; F90-H141 HydrophobicContact CE2-CB 4.36Å; L138-H141 HydrophobicContact CD2-CB 4.14Å; H141-I145 VanDerWaalsContact CE1-CD1 3.47Å; H141-I145 WeakPolarHBondContact CE1-CD1 3.43Å; H141-I145 WeakPolarHBondContact ND1-CD1 3.49Å; H141-I145 VanDerWaalsContact ND1-CG1 3.31Å; H141-I145 WeakPolarHBondContact ND1-CG1 3.46Å; H141-E214 IonicContact CE1-OE2 3.5Å; H141-E214 IonicContact NE2-OE2 2.69Å
142D92.1Very high95Very high29 Ų2917 Ų1716%0.1558%0.081CC..SBendtrans-132.636.5170.4-171.536.9000110.2R33 K52 T53 E211R33-D142 PolarHBondContact NH1-O 3.5Å; R33-D142 IonicContact NH1-OD2 3.43Å; K52-D142 HydrophobicContact CB-CB 3.74Å; K52-D142 VanDerWaalsContact CB-OD2 3.32Å; K52-D142 WeakPolarHBondContact CB-OD2 3.07Å; K52-D142 VanDerWaalsContact CD-OD2 3.29Å; K52-D142 WeakPolarHBondContact CD-OD2 3.34Å; K52-D142 WeakPolarHBondContact CG-OD2 3.3Å; T53-D142 VanDerWaalsContact OG1-C 3.31Å; T53-D142 WeakPolarHBondContact OG1-CA 3.36Å; T53-D142 PolarHBondContact OG1-N 3.5Å; T53-D142 VanDerWaalsContact OG1-N 3.1Å; D142-E211 PolarHBondContact O-N 2.79Å
143G89.8Confident95Very high0 Ų017 Ų170%08%0.081CC..SBendtrans89.2159.7-177.400000115.4R33 T53 E214R33-G143 PolarHBondContact NH2-O 3.12Å; T53-G143 PolarHBondContact OG1-O 2.75Å; G143-E214 WeakPolarHBondContact CA-OE2 3.33Å
144N93.3Very high95Very high1 Ų112.6 Ų12.61%0.0056%0.064CC..  trans52.160.9179.7-162.513.3000115.3L50 I146 D147 S195 D208 P209 E214L50-N144 HydrophobicContact CD2-CB 4.19Å; N144-I146 VanDerWaalsContact C-N 3.31Å; N144-I146 PolarHBondContact O-N 3.23Å; N144-D147 WeakPolarHBondContact ND2-CB 3.28Å; N144-D147 PolarHBondContact ND2-OD2 3.46Å; N144-D147 PolarHBondContact OD1-OD1 3.09Å; N144-D147 PolarHBondContact OD1-OD2 2.98Å; N144-S195 WeakPolarHBondContact OD1-CB 3.29Å; N144-S195 PolarHBondContact OD1-OG 2.91Å; N144-S195 VanDerWaalsContact OD1-OG 3.1Å; N144-D208 WeakPolarHBondContact CB-OD1 3.38Å; N144-D208 PolarHBondContact ND2-OD1 3.25Å; N144-P209 PolarHBondContact N-O 3.44Å; N144-E214 WeakPolarHBondContact CA-OE1 3.31Å; N144-E214 PolarHBondContact N-OE1 2.99Å
145I94.6Very high95Very high7 Ų712.6 Ų12.64%0.0366%0.064CC..Hα-helixtrans-64.6-37.5179.6-57.4162.5000111.5L80 L98 L102 L138 H141 D147 A148 A149L80-I145 HydrophobicContact CD1-CG2 4.47Å; L98-I145 HydrophobicContact CD2-CD1 4.15Å; L102-I145 HydrophobicContact CD1-CB 4.28Å; L102-I145 HydrophobicContact CD1-CD1 4.07Å; L102-I145 HydrophobicContact CD1-CG2 3.9Å; L138-I145 HydrophobicContact CD1-CG1 4.36Å; L138-I145 HydrophobicContact CD1-CG2 4.11Å; L138-I145 HydrophobicContact CD2-CD1 3.83Å; L138-I145 HydrophobicContact CD2-CG1 3.97Å; L138-I145 HydrophobicContact CD2-CG2 4.23Å; H141-I145 VanDerWaalsContact CE1-CD1 3.47Å; H141-I145 WeakPolarHBondContact CE1-CD1 3.43Å; H141-I145 WeakPolarHBondContact ND1-CD1 3.49Å; H141-I145 VanDerWaalsContact ND1-CG1 3.31Å; H141-I145 WeakPolarHBondContact ND1-CG1 3.46Å; I145-D147 PolarHBondContact O-N 3.41Å; I145-A148 PolarHBondContact O-N 3.18Å; I145-A149 WeakPolarHBondContact O-CB 3.42Å; I145-A149 PolarHBondContact O-N 3.47Å
146I95.4Very high95Very high10 Ų1011.7 Ų11.75%0.0516%0.06CC..Hα-helixtrans-64.5-46.4-169.4-61.8165.7000110.9L102 L105 N144 A149 S150 C193 L220 V222L102-I146 HydrophobicContact CD2-CB 4.45Å; L102-I146 HydrophobicContact CD2-CD1 3.71Å; L102-I146 HydrophobicContact CD2-CG1 3.12Å; L105-I146 HydrophobicContact CD2-CD1 3.9Å; L105-I146 HydrophobicContact CD2-CG1 4.31Å; L105-I146 HydrophobicContact CD2-CG2 3.74Å; N144-I146 VanDerWaalsContact C-N 3.31Å; N144-I146 PolarHBondContact O-N 3.23Å; I146-A149 PolarHBondContact O-N 3.4Å; I146-S150 WeakPolarHBondContact O-CB 3.43Å; I146-S150 PolarHBondContact O-N 2.85Å; I146-S150 PolarHBondContact O-OG 2.77Å; I146-C193 HydrophobicContact CG2-CB 3.73Å; I146-L220 HydrophobicContact CD1-CD2 3.97Å; I146-V222 HydrophobicContact CD1-CG2 3.62Å; I146-V222 HydrophobicContact CG2-CG1 3.94Å; I146-V222 HydrophobicContact CG2-CG2 4.46Å
147D95.8Very high95Very high0 Ų011.6 Ų11.60%06%0.059CC..Hα-helixtrans-68-47.8-177.8-62.87.3000109.5Y32 N144 I145 A149 S150 I151 C193 I194 S195Y32-D147 HydrophobicContact CE1-CB 4.4Å; Y32-D147 WeakPolarHBondContact CE1-OD2 3.34Å; Y32-D147 PolarHBondContact OH-OD2 3.39Å; N144-D147 WeakPolarHBondContact ND2-CB 3.28Å; N144-D147 PolarHBondContact ND2-OD2 3.46Å; N144-D147 PolarHBondContact OD1-OD1 3.09Å; N144-D147 PolarHBondContact OD1-OD2 2.98Å; I145-D147 PolarHBondContact O-N 3.41Å; D147-A149 VanDerWaalsContact C-N 3.34Å; D147-A149 PolarHBondContact O-N 2.93Å; D147-S150 PolarHBondContact O-N 3.11Å; D147-S150 PolarHBondContact O-OG 3.42Å; D147-I151 VanDerWaalsContact O-CG1 3.28Å; D147-I151 WeakPolarHBondContact O-CG1 3.18Å; D147-I151 PolarHBondContact O-N 3.07Å; D147-C193 VanDerWaalsContact OD1-C 3.31Å; D147-C193 VanDerWaalsContact OD1-O 3.11Å; D147-I194 WeakPolarHBondContact OD1-CA 3.41Å; D147-I194 WeakPolarHBondContact OD2-CA 3.25Å; D147-S195 WeakPolarHBondContact OD1-CB 3.43Å; D147-S195 PolarHBondContact OD1-N 2.95Å; D147-S195 PolarHBondContact OD1-OG 2.68Å; D147-S195 PolarHBondContact OD2-N 3.07Å
148A96.1Very high95Very high0 Ų010.4 Ų10.40%06%0.056CC..Hα-helixtrans-58.9-42.8176.600000112.4L50 T53 V55 I145 I151 A152L50-A148 HydrophobicContact CB-CB 4.15Å; L50-A148 HydrophobicContact CD2-CB 4.3Å; T53-A148 HydrophobicContact CG2-CB 4.2Å; V55-A148 HydrophobicContact CG2-CB 3.8Å; I145-A148 PolarHBondContact O-N 3.18Å; A148-I151 PolarHBondContact O-N 3.46Å; A148-A152 WeakPolarHBondContact O-CB 3.28Å; A148-A152 PolarHBondContact O-N 3.42Å
149A96.4Very high95Very high0 Ų010.9 Ų10.90%06%0.059CC..Hα-helixtrans-66.5-39.7177.200000112.4L80 L106 L136 I145 I146 D147 A152 A153L80-A149 HydrophobicContact CD1-CB 3.78Å; L106-A149 HydrophobicContact CD1-CB 3.79Å; L106-A149 HydrophobicContact CD2-CB 4.34Å; L136-A149 HydrophobicContact CD1-CB 4.01Å; I145-A149 WeakPolarHBondContact O-CB 3.42Å; I145-A149 PolarHBondContact O-N 3.47Å; I146-A149 PolarHBondContact O-N 3.4Å; D147-A149 VanDerWaalsContact C-N 3.34Å; D147-A149 PolarHBondContact O-N 2.93Å; A149-A152 PolarHBondContact O-N 2.9Å; A149-A153 WeakPolarHBondContact O-CB 3.43Å; A149-A153 PolarHBondContact O-N 2.87Å
150S95.8Very high95.1Very high1 Ų19.1 Ų9.11%0.0075%0.049CC..Hα-helixtrans-65.1-41.717673.30000111.9I146 D147 A153 I154 C193I146-S150 WeakPolarHBondContact O-CB 3.43Å; I146-S150 PolarHBondContact O-N 2.85Å; I146-S150 PolarHBondContact O-OG 2.77Å; D147-S150 PolarHBondContact O-N 3.11Å; D147-S150 PolarHBondContact O-OG 3.42Å; S150-A153 PolarHBondContact O-N 2.96Å; S150-I154 WeakPolarHBondContact O-CG1 3.48Å; S150-I154 PolarHBondContact O-N 3.43Å; S150-I154 VanDerWaalsContact O-N 3.07Å; S150-C193 WeakPolarHBondContact OG-CB 3.35Å; S150-C193 PolarHBondContact OG-N 3.38Å; S150-C193 VanDerWaalsContact OG-N 3.11Å
151I96.5Very high95Very high0 Ų010 Ų100%05%0.048CC..Hα-helixtrans-64.3-47.4176-64.5166000109.5I35 I37 V48 D147 A148 A153 I154 V155 I192 I261 I265I35-I151 HydrophobicContact CD1-CD1 4.06Å; I37-I151 HydrophobicContact CD1-CG2 4.45Å; V48-I151 HydrophobicContact CG1-CB 4.34Å; V48-I151 HydrophobicContact CG1-CG2 3.91Å; V48-I151 HydrophobicContact CG2-CG2 4.11Å; D147-I151 VanDerWaalsContact O-CG1 3.28Å; D147-I151 WeakPolarHBondContact O-CG1 3.18Å; D147-I151 PolarHBondContact O-N 3.07Å; A148-I151 PolarHBondContact O-N 3.46Å; I151-A153 PolarHBondContact O-N 3.47Å; I151-I154 PolarHBondContact O-N 2.92Å; I151-V155 HydrophobicContact CG2-CG2 4Å; I151-V155 VanDerWaalsContact O-CB 3.32Å; I151-V155 WeakPolarHBondContact O-CB 3.42Å; I151-V155 WeakPolarHBondContact O-CG2 3.41Å; I151-V155 PolarHBondContact O-N 3.48Å; I151-I192 HydrophobicContact CG1-CG2 4.08Å; I151-I261 HydrophobicContact CD1-CD1 4.44Å; I151-I261 HydrophobicContact CD1-CG2 3.84Å; I151-I261 HydrophobicContact CG1-CG2 3.98Å; I151-I265 HydrophobicContact CG2-CD1 4.24Å; I151-I265 HydrophobicContact CG2-CG1 4.47Å
152A96.8Very high95Very high0 Ų010.9 Ų10.90%05%0.05CC..Hα-helixtrans-58.7-45.8178.200000112C46 V48 V55 L136 A148 A149 I154 V155 A156C46-A152 PolarHBondContact SG-O 3.47Å; C46-A152 VanDerWaalsContact SG-O 3.33Å; V48-A152 HydrophobicContact CB-CB 4.25Å; V48-A152 HydrophobicContact CG2-CB 3.82Å; V55-A152 HydrophobicContact CB-CB 4.17Å; V55-A152 HydrophobicContact CG1-CB 3.81Å; L136-A152 HydrophobicContact CD2-CB 4.07Å; A148-A152 WeakPolarHBondContact O-CB 3.28Å; A148-A152 PolarHBondContact O-N 3.42Å; A149-A152 PolarHBondContact O-N 2.9Å; A152-I154 PolarHBondContact O-N 3.38Å; A152-V155 PolarHBondContact O-N 2.83Å; A152-A156 WeakPolarHBondContact O-CB 3.03Å; A152-A156 PolarHBondContact O-N 2.87Å
153A96.4Very high95.1Very high0 Ų011.5 Ų11.50%06%0.056CC..Hα-helixtrans-61-46.317800000112.6L110 V134 L136 A149 S150 I151 A156 L157L110-A153 HydrophobicContact CD1-CB 3.79Å; V134-A153 HydrophobicContact CG1-CB 4.46Å; L136-A153 HydrophobicContact CD1-CB 4.15Å; L136-A153 HydrophobicContact CD2-CB 4.2Å; A149-A153 WeakPolarHBondContact O-CB 3.43Å; A149-A153 PolarHBondContact O-N 2.87Å; S150-A153 PolarHBondContact O-N 2.96Å; I151-A153 PolarHBondContact O-N 3.47Å; A153-A156 PolarHBondContact O-N 2.93Å; A153-L157 WeakPolarHBondContact O-CB 3.46Å; A153-L157 VanDerWaalsContact O-CG 3.25Å; A153-L157 WeakPolarHBondContact O-CG 3.35Å; A153-L157 PolarHBondContact O-N 3.21Å
154I96.1Very high95.2Very high3 Ų313.2 Ų13.22%0.0157%0.065CC..Hα-helixtrans-66.6-44.7179.8-67.6-60.9000111.2L110 S150 I151 A152 L157 C158 M190 P191 I265L110-I154 HydrophobicContact CD2-CD1 3.48Å; L110-I154 VanDerWaalsContact CD2-CD1 3.48Å; L110-I154 HydrophobicContact CD2-CG1 4.23Å; S150-I154 WeakPolarHBondContact O-CG1 3.48Å; S150-I154 PolarHBondContact O-N 3.43Å; S150-I154 VanDerWaalsContact O-N 3.07Å; I151-I154 PolarHBondContact O-N 2.92Å; A152-I154 PolarHBondContact O-N 3.38Å; I154-L157 PolarHBondContact O-N 3.12Å; I154-C158 WeakPolarHBondContact O-CB 3.5Å; I154-C158 PolarHBondContact O-N 3.37Å; I154-C158 PolarHBondContact O-SG 3.15Å; I154-M190 HydrophobicContact CG2-CB 3.93Å; I154-M190 HydrophobicContact CG2-CG 3.89Å; I154-P191 HydrophobicContact CD1-CG 4.2Å; I154-P191 WeakPolarHBondContact CG1-O 3.16Å; I154-I265 HydrophobicContact CG2-CD1 4.38Å
155V96.4Very high95.1Very high1 Ų114.3 Ų14.31%0.0067%0.071CC..Hα-helixtrans-60.9-46.8177.6171.50000110.4I37 F39 C46 I151 A152 L157 C158 H159 I265I37-V155 HydrophobicContact CD1-CG2 3.86Å; I37-V155 HydrophobicContact CG2-CG1 3.66Å; I37-V155 HydrophobicContact CG2-CG2 4.35Å; F39-V155 HydrophobicContact CD1-CG1 4.39Å; F39-V155 HydrophobicContact CE1-CG1 3.48Å; F39-V155 VanDerWaalsContact CE1-CG1 3.48Å; F39-V155 HydrophobicContact CZ-CG1 3.97Å; C46-V155 HydrophobicContact CB-CG1 3.76Å; I151-V155 HydrophobicContact CG2-CG2 4Å; I151-V155 VanDerWaalsContact O-CB 3.32Å; I151-V155 WeakPolarHBondContact O-CB 3.42Å; I151-V155 WeakPolarHBondContact O-CG2 3.41Å; I151-V155 PolarHBondContact O-N 3.48Å; A152-V155 PolarHBondContact O-N 2.83Å; V155-L157 PolarHBondContact O-N 2.87Å; V155-C158 PolarHBondContact O-N 2.94Å; V155-H159 VanDerWaalsContact O-CB 3.23Å; V155-H159 WeakPolarHBondContact O-CB 3.44Å; V155-H159 PolarHBondContact O-N 2.84Å; V155-I265 HydrophobicContact CG2-CD1 4.15Å; V155-I265 HydrophobicContact CG2-CG1 3.85Å; V155-I265 HydrophobicContact CG2-CG2 3.98Å
156A96.2Very high94.9Very high0 Ų015.2 Ų15.20%08%0.078CC..Hα-helixtrans-60.8-46.3178.900000111.2V59 A152 A153 C158 H159 F160V59-A156 HydrophobicContact CG2-CB 3.64Å; A152-A156 WeakPolarHBondContact O-CB 3.03Å; A152-A156 PolarHBondContact O-N 2.87Å; A153-A156 PolarHBondContact O-N 2.93Å; A156-C158 PolarHBondContact O-N 3.45Å; A156-H159 PolarHBondContact O-N 3.41Å; A156-F160 VanDerWaalsContact O-CB 3.3Å; A156-F160 WeakPolarHBondContact O-CB 3.37Å; A156-F160 PolarHBondContact O-N 3.35Å
157L95.4Very high94.6Very high2 Ų217.7 Ų17.71%0.019%0.094CC..Hα-helixtrans-63.1-39.8177.4-76.1170.1000112.9V59 F78 I116 I132 V134 A153 I154 V155 H159 L185 I187V59-L157 HydrophobicContact CG2-CD2 4.42Å; F78-L157 HydrophobicContact CE1-CD1 4.35Å; F78-L157 HydrophobicContact CZ-CD1 4.45Å; I116-L157 HydrophobicContact CG2-CD1 4.33Å; I132-L157 HydrophobicContact CG2-CD2 4.29Å; V134-L157 HydrophobicContact CG2-CD1 4.47Å; V134-L157 HydrophobicContact CG2-CD2 3.65Å; V134-L157 HydrophobicContact CG2-CG 4.05Å; A153-L157 WeakPolarHBondContact O-CB 3.46Å; A153-L157 VanDerWaalsContact O-CG 3.25Å; A153-L157 WeakPolarHBondContact O-CG 3.35Å; A153-L157 PolarHBondContact O-N 3.21Å; I154-L157 PolarHBondContact O-N 3.12Å; V155-L157 PolarHBondContact O-N 2.87Å; L157-H159 VanDerWaalsContact C-N 3.34Å; L157-L185 HydrophobicContact CD2-CD1 4.07Å; L157-I187 HydrophobicContact CB-CD1 4.38Å
158C95.1Very high94.4Very high27 Ų2724.8 Ų24.818%0.18213%0.127CC..Hα-helixtrans-70.7-31.7177.1-64.40000112.8I154 V155 A156 I187 L269I154-C158 WeakPolarHBondContact O-CB 3.5Å; I154-C158 PolarHBondContact O-N 3.37Å; I154-C158 PolarHBondContact O-SG 3.15Å; V155-C158 PolarHBondContact O-N 2.94Å; A156-C158 PolarHBondContact O-N 3.45Å; C158-I187 HydrophobicContact CB-CD1 4.02Å; C158-I187 WeakPolarHBondContact SG-CD1 3.44Å; C158-L269 HydrophobicContact CB-CD1 3.53Å; C158-L269 HydrophobicContact CB-CD2 4.11Å; C158-L269 HydrophobicContact CB-CG 4.48Å
159H94.9Very high93.9Very high11 Ų1128 Ų285%0.05116%0.161CC..Hα-helixtrans-82.4-27.4179.9-177.8-124.6000112.5F39 D42 Y43 G44 C45 V155 A156 L157 L269 D272 R276F39-H159 HydrophobicContact CD1-CB 4.15Å; F39-H159 AromaticContact CD1-CD2 3.79Å; F39-H159 AromaticContact CD1-CE1 3.97Å; F39-H159 AromaticContact CD1-CG 3.64Å; F39-H159 AromaticContact CD1-ND1 3.74Å; F39-H159 HydrophobicContact CE1-CB 3.96Å; F39-H159 AromaticContact CE1-CG 3.91Å; D42-H159 PolarHBondContact O-CE1 2.88Å; D42-H159 VanDerWaalsContact O-CE1 3.3Å; Y43-H159 AromaticContact CD1-NE2 3.82Å; G44-H159 PolarHBondContact N-ND1 3.38Å; C45-H159 PolarHBondContact O-ND1 2.99Å; V155-H159 VanDerWaalsContact O-CB 3.23Å; V155-H159 WeakPolarHBondContact O-CB 3.44Å; V155-H159 PolarHBondContact O-N 2.84Å; A156-H159 PolarHBondContact O-N 3.41Å; L157-H159 VanDerWaalsContact C-N 3.34Å; H159-L269 HydrophobicContact CB-CD2 4.15Å; H159-D272 IonicContact CD2-OD2 2.83Å; H159-D272 IonicContact NE2-OD2 3.17Å; H159-D272 PolarHBondContact NE2-OD2 3.15Å; H159-R276 PolarHBondContact CE1-NH2 3.41Å; H159-R276 PolarHBondContact NE2-NH2 3.16Å
160F96Very high93.2Very high16 Ų1635.7 Ų35.77%0.0720%0.196CC..  trans-64.8141.9-178-177.6-103.1000112.5V59 C61 A156 R162 L185V59-F160 HydrophobicContact CB-CB 3.92Å; V59-F160 HydrophobicContact CB-CD2 3.59Å; V59-F160 HydrophobicContact CB-CE2 4.25Å; V59-F160 HydrophobicContact CB-CG 3.74Å; V59-F160 HydrophobicContact CG1-CB 4Å; V59-F160 HydrophobicContact CG1-CD1 3.79Å; V59-F160 HydrophobicContact CG1-CD2 3.66Å; V59-F160 HydrophobicContact CG1-CE1 4.16Å; V59-F160 HydrophobicContact CG1-CE2 4.05Å; V59-F160 HydrophobicContact CG1-CG 3.51Å; V59-F160 HydrophobicContact CG1-CZ 4.3Å; V59-F160 HydrophobicContact CG2-CB 4.17Å; V59-F160 WeakPolarHBondContact O-CE2 3.45Å; C61-F160 HydrophobicContact CB-CE1 3.87Å; C61-F160 HydrophobicContact CB-CZ 3.44Å; C61-F160 VanDerWaalsContact CB-CZ 3.44Å; A156-F160 VanDerWaalsContact O-CB 3.3Å; A156-F160 WeakPolarHBondContact O-CB 3.37Å; A156-F160 PolarHBondContact O-N 3.35Å; F160-R162 HydrophobicContact CE1-CB 4.01Å; F160-L185 HydrophobicContact CD1-CD1 3.73Å; F160-L185 HydrophobicContact CD1-CD2 4.26Å; F160-L185 HydrophobicContact CD1-CG 3.9Å; F160-L185 HydrophobicContact CE1-CD2 4.48Å
161R93.6Very high92.7Very high78 Ų7842.6 Ų42.629%0.29423%0.228SC..EExtended strand (participates in β ladder)trans-129.5132173.2-60.2-177.3174.4-131.96.2109Y43 P182 V183Y43-R161 HydrophobicContact CD1-CG 4.05Å; Y43-R161 HydrophobicContact CG-CB 4.37Å; Y43-R161 HydrophobicContact CG-CG 4.16Å; R161-P182 HydrophobicContact CB-CB 3.49Å; R161-P182 VanDerWaalsContact CB-CB 3.49Å; R161-P182 HydrophobicContact CG-CB 4.45Å; R161-P182 PolarHBondContact NH1-O 2.93Å; R161-V183 CarbonylContact C-O 3.51Å; R161-V183 VanDerWaalsContact CA-O 3.32Å; R161-V183 WeakPolarHBondContact CA-O 3.14Å
162R93Very high92.3Very high42 Ų4244.7 Ų44.716%0.15824%0.241CC..EExtended strand (participates in β ladder)trans-88.9149.8176.666.3-179.918090.5-6110.5F160 P182 V183F160-R162 HydrophobicContact CE1-CB 4.01Å; R162-P182 CarbonylContact O-C 3.58Å; R162-P182 WeakPolarHBondContact O-CA 3.35Å; R162-V183 HydrophobicContact CG-CB 4.34Å; R162-V183 WeakPolarHBondContact CG-O 3.48Å; R162-V183 PolarHBondContact N-O 3.17Å; R162-V183 PolarHBondContact O-N 2.86Å
163P92.8Very high92Very high43 Ų4347.5 Ų47.528%0.27926%0.259SS..PPolyproline II helixtrans-63.2149.5171.427.5-34000110.8W130W130-P163 HydrophobicContact CH2-CG 3.75Å; W130-P163 HydrophobicContact CZ3-CG 4.34Å
164D91.8Very high91.7Very high36 Ų3652.1 Ų52.119%0.19328%0.282CS..PPolyproline II helixtrans-76146.8178-167.227000110.7Y175 R180 V183D164-Y175 PolarHBondContact O-N 2.8Å; D164-Y175 VanDerWaalsContact O-N 3.15Å; D164-R180 HydrophobicContact CB-CB 4.27Å; D164-R180 WeakPolarHBondContact OD2-CD 3.43Å; D164-R180 IonicContact OD2-CZ 3.88Å; D164-R180 IonicContact OD2-NE 3.95Å; D164-R180 IonicContact OD2-NH1 2.68Å; D164-R180 PolarHBondContact OD2-NH1 2.89Å; D164-V183 HydrophobicContact CB-CG2 4.24Å
165V91.3Very high91.6Very high24 Ų2454.9 Ų54.915%0.14529%0.293CS..EExtended strand (participates in β ladder)trans-130.5132-179.9-81.10000109.9V123 W130 V172 T173 L174V123-V165 HydrophobicContact CG1-CG2 4.37Å; V123-V165 HydrophobicContact CG2-CG2 4.2Å; W130-V165 HydrophobicContact CH2-CG1 4.04Å; W130-V165 HydrophobicContact CZ2-CB 4.39Å; W130-V165 HydrophobicContact CZ2-CG1 3.45Å; W130-V165 VanDerWaalsContact CZ2-CG1 3.45Å; W130-V165 HydrophobicContact CZ2-CG2 4.01Å; V165-V172 HydrophobicContact CG1-CG1 4.31Å; V165-T173 WeakPolarHBondContact CA-O 3.35Å; V165-L174 HydrophobicContact CG1-CD2 3.21Å; V165-L174 HydrophobicContact CG1-CG 4.26Å
166S90.3Very high91.3Very high25 Ų2557.9 Ų57.918%0.17531%0.312CS..EExtended strand (participates in β ladder)trans-107.3137165.183.10000110.7T173 Y175S166-T173 PolarHBondContact N-O 2.67Å; S166-T173 VanDerWaalsContact N-O 3.11Å; S166-T173 PolarHBondContact O-N 2.79Å; S166-T173 PolarHBondContact O-OG1 3.23Å; S166-T173 PolarHBondContact OG-OG1 3.18Å; S166-Y175 PolarHBondContact OG-OH 3.4Å
167V90.3Very high90.8Very high63 Ų6362.3 Ų62.338%0.38234%0.34SS..EExtended strand (participates in β ladder)trans-114.2120-179.6-175.70000107.3V123 V124 G169V123-V167 HydrophobicContact CG1-CG2 3.31Å; V124-V167 HydrophobicContact CG2-CG1 4.02Å; V167-G169 WeakPolarHBondContact CG1-O 3.2Å
168Q90.5Very high90.4Very high148 Ų14871.2 Ų71.269%0.69238%0.382SS*.EExtended strand (participates in β ladder)trans-11996.3171.2-66.8-173.834.700108.2E170 E171Q168-E170 PolarHBondContact O-N 3.49Å; Q168-E171 PolarHBondContact N-O 3.29Å; Q168-E171 PolarHBondContact O-N 2.68Å; Q168-E171 VanDerWaalsContact O-N 3.15Å
169G86.6Confident90.2Very high69 Ų6975.8 Ų75.871%0.71140%0.401SS*.THydrogen-bonded Turntrans65.4-114.5-17200000111V167V167-G169 WeakPolarHBondContact CG1-O 3.2Å
170E80.8Confident90Very high161 Ų16180.7 Ų80.775%0.75242%0.419SS*.THydrogen-bonded Turntrans-96.5-13178-68.9175.717400112.7Q168 V172Q168-E170 PolarHBondContact O-N 3.49Å; E170-V172 PolarHBondContact O-N 3.45Å
171E86Confident89.6Confident145 Ų14586.7 Ų86.768%0.67845%0.451SS*.EExtended strand (participates in β ladder)trans-81120.4179.2-69-173.3173.900111Q168Q168-E171 PolarHBondContact N-O 3.29Å; Q168-E171 PolarHBondContact O-N 2.68Å; Q168-E171 VanDerWaalsContact O-N 3.15Å
172V89.3Confident89.5Confident45 Ų4584 Ų8427%0.27344%0.444SS..EExtended strand (participates in β ladder)trans-103.8115.8175.6-178.10000109V123 V124 V165 E170V123-V172 HydrophobicContact CG1-CG1 4.12Å; V123-V172 HydrophobicContact CG1-CG2 4.15Å; V124-V172 HydrophobicContact CG2-CG2 3.82Å; V165-V172 HydrophobicContact CG1-CG1 4.31Å; E170-V172 PolarHBondContact O-N 3.45Å
173T89.7Confident89.5Confident59 Ų5984.3 Ų84.336%0.36245%0.45SS..EExtended strand (participates in β ladder)trans-105.2126.8174.952.10000110.2V165 S166V165-T173 WeakPolarHBondContact CA-O 3.35Å; S166-T173 PolarHBondContact N-O 2.67Å; S166-T173 VanDerWaalsContact N-O 3.11Å; S166-T173 PolarHBondContact O-N 2.79Å; S166-T173 PolarHBondContact O-OG1 3.23Å; S166-T173 PolarHBondContact OG-OG1 3.18Å
174L90.8Very high89.6Confident96 Ų9685.8 Ų85.850%0.50346%0.46SS..EExtended strand (participates in β ladder)trans-96.3126.9177.5-70.8166000109.3L63 W130 V165L63-L174 HydrophobicContact CD1-CD1 3.71Å; L63-L174 HydrophobicContact CD1-CD2 3.3Å; L63-L174 HydrophobicContact CD1-CG 3.95Å; W130-L174 HydrophobicContact CH2-CD2 3.68Å; W130-L174 HydrophobicContact CZ2-CD2 4.25Å; V165-L174 HydrophobicContact CG1-CD2 3.21Å; V165-L174 HydrophobicContact CG1-CG 4.26Å
175Y92.4Very high89.6Confident61 Ų6185.1 Ų85.124%0.23946%0.457CS..PPolyproline II helixtrans-94.5140.6172.9-62.7-73.4000110.6D164 S166 E179 R180D164-Y175 PolarHBondContact O-N 2.8Å; D164-Y175 VanDerWaalsContact O-N 3.15Å; S166-Y175 PolarHBondContact OG-OH 3.4Å; Y175-E179 WeakPolarHBondContact CA-OE2 3.48Å; Y175-E179 HydrophobicContact CD1-CB 4.44Å; Y175-E179 WeakPolarHBondContact CD1-OE2 3.4Å; Y175-R180 HydrophobicContact CG-CG 4.19Å
176T90.3Very high89.7Confident65 Ų6586.9 Ų86.940%0.39947%0.47SS..PPolyproline II helixtrans-72.3156.7172.362.40000110.2E178 E179 R180T176-E178 PolarHBondContact O-N 3.23Å; T176-E178 VanDerWaalsContact O-N 3.08Å; T176-E179 PolarHBondContact N-OE2 3.2Å; T176-E179 VanDerWaalsContact N-OE2 3.11Å; T176-E179 PolarHBondContact O-N 3.34Å; T176-E179 VanDerWaalsContact O-N 3.07Å; T176-E179 VanDerWaalsContact OG1-CD 3.29Å; T176-E179 VanDerWaalsContact OG1-CG 3.29Å; T176-E179 WeakPolarHBondContact OG1-CG 3.49Å; T176-R180 PolarHBondContact O-N 3.3Å; T176-R180 VanDerWaalsContact O-N 3.1Å
177P85.3Confident89.9Confident92 Ų9288 Ų8860%0.59747%0.473SS*.THydrogen-bonded Turntrans-62-14.7177.325.5-36000114R180 P182P177-R180 CarbonylContact C-O 3.54Å; P177-R180 WeakPolarHBondContact CA-O 3.48Å; P177-P182 HydrophobicContact CB-CG 3.83Å
178E88.3Confident90Very high189 Ų18990.4 Ų90.488%0.88348%0.48SS*.THydrogen-bonded Turntrans-83.3-33.6174.9-62.8-179.1-178.400112.1T176T176-E178 PolarHBondContact O-N 3.23Å; T176-E178 VanDerWaalsContact O-N 3.08Å
179E90.8Very high90.1Very high124 Ų12485 Ų8558%0.57946%0.455SS*.THydrogen-bonded Turntrans-77.3-38.6178.1-71.4166.1178.500112Y175 T176Y175-E179 WeakPolarHBondContact CA-OE2 3.48Å; Y175-E179 HydrophobicContact CD1-CB 4.44Å; Y175-E179 WeakPolarHBondContact CD1-OE2 3.4Å; T176-E179 PolarHBondContact N-OE2 3.2Å; T176-E179 VanDerWaalsContact N-OE2 3.11Å; T176-E179 PolarHBondContact O-N 3.34Å; T176-E179 VanDerWaalsContact O-N 3.07Å; T176-E179 VanDerWaalsContact OG1-CD 3.29Å; T176-E179 VanDerWaalsContact OG1-CG 3.29Å; T176-E179 WeakPolarHBondContact OG1-CG 3.49Å
180R89.9Confident90.5Very high114 Ų11483.4 Ų83.443%0.4343%0.429SS..SBendtrans-142.4146.6179.9-73-157.5175.8174.64.8113.1D164 Y175 T176 P177 P182D164-R180 HydrophobicContact CB-CB 4.27Å; D164-R180 WeakPolarHBondContact OD2-CD 3.43Å; D164-R180 IonicContact OD2-CZ 3.88Å; D164-R180 IonicContact OD2-NE 3.95Å; D164-R180 IonicContact OD2-NH1 2.68Å; D164-R180 PolarHBondContact OD2-NH1 2.89Å; Y175-R180 HydrophobicContact CG-CG 4.19Å; T176-R180 PolarHBondContact O-N 3.3Å; T176-R180 VanDerWaalsContact O-N 3.1Å; P177-R180 CarbonylContact C-O 3.54Å; P177-R180 WeakPolarHBondContact CA-O 3.48Å; R180-P182 WeakPolarHBondContact O-CD 3.39Å
181D89.2Confident91.2Very high141 Ų14175.7 Ų75.775%0.75439%0.393SS*.PPolyproline II helixtrans-61.1125174.4-72.9-35.6000111.4
182P91.1Very high91.7Very high23 Ų2368.8 Ų68.815%0.14936%0.361CS..PPolyproline II helixtrans-61138.5175.7-27.437.1000113R161 R162 P177 R180R161-P182 HydrophobicContact CB-CB 3.49Å; R161-P182 VanDerWaalsContact CB-CB 3.49Å; R161-P182 HydrophobicContact CG-CB 4.45Å; R161-P182 PolarHBondContact NH1-O 2.93Å; R162-P182 CarbonylContact O-C 3.58Å; R162-P182 WeakPolarHBondContact O-CA 3.35Å; P177-P182 HydrophobicContact CB-CG 3.83Å; R180-P182 WeakPolarHBondContact O-CD 3.39Å
183V92.3Very high92Very high47 Ų4766.7 Ų66.729%0.28535%0.348SS..EExtended strand (participates in β ladder)trans-89.9132.7-175.1-174.90000110.1R161 R162 D164R161-V183 CarbonylContact C-O 3.51Å; R161-V183 VanDerWaalsContact CA-O 3.32Å; R161-V183 WeakPolarHBondContact CA-O 3.14Å; R162-V183 HydrophobicContact CG-CB 4.34Å; R162-V183 WeakPolarHBondContact CG-O 3.48Å; R162-V183 PolarHBondContact N-O 3.17Å; R162-V183 PolarHBondContact O-N 2.86Å; D164-V183 HydrophobicContact CB-CG2 4.24Å
184P94Very high92.3Very high74 Ų7463.9 Ų63.948%0.48133%0.331SS..EExtended strand (participates in β ladder)trans-69160.8175.530.3-35.8000112.2
185L93.4Very high92.6Very high23 Ų2359.3 Ų59.312%0.1231%0.307CS..PPolyproline II helixtrans-77.9147.9173.3-64.1-178.6000112.5L121 I132 L157 F160 I187L121-L185 HydrophobicContact CD2-CD2 4.11Å; I132-L185 HydrophobicContact CD1-CD1 3.75Å; I132-L185 HydrophobicContact CD1-CD2 3.57Å; I132-L185 HydrophobicContact CD1-CG 4.33Å; L157-L185 HydrophobicContact CD2-CD1 4.07Å; F160-L185 HydrophobicContact CD1-CD1 3.73Å; F160-L185 HydrophobicContact CD1-CD2 4.26Å; F160-L185 HydrophobicContact CD1-CG 3.9Å; F160-L185 HydrophobicContact CE1-CD2 4.48Å; L185-I187 HydrophobicContact CB-CG1 4.43Å; L185-I187 PolarHBondContact O-N 2.91Å
186S93.4Very high92.8Very high61 Ų6156.4 Ų56.443%0.42730%0.296SS..  trans-81.3104.7171.9-65.30000110.4D117D117-S186 PolarHBondContact N-O 2.84Å
187I93.3Very high93Very high47 Ų4753.3 Ų53.324%0.24128%0.277CS..BIsolated β-bridgetrans-108.6118.6179-54.4177.1000108.6C115 I116 L157 C158 L185 H189C115-I187 WeakPolarHBondContact O-CG2 3.3Å; I116-I187 HydrophobicContact CG2-CG1 4.37Å; L157-I187 HydrophobicContact CB-CD1 4.38Å; C158-I187 HydrophobicContact CB-CD1 4.02Å; C158-I187 WeakPolarHBondContact SG-CD1 3.44Å; L185-I187 HydrophobicContact CB-CG1 4.43Å; L185-I187 PolarHBondContact O-N 2.91Å; I187-H189 WeakPolarHBondContact CG2-O 3.38Å
188H92.9Very high93.5Very high114 Ų11449 Ų4953%0.52825%0.248SC..SBendtrans-72.5-44.3176.3-65-50.2000110.9C115 D117C115-H188 PolarHBondContact O-N 2.82Å; D117-H188 WeakPolarHBondContact CB-NE2 3.42Å
189H92.9Very high93.8Very high35 Ų3540 Ų4016%0.16221%0.207CC..  trans-162167.3-176.458.7-89.2000113.8S113 K114 C115 I187 P191 N226S113-H189 PolarHBondContact O-CE1 2.82Å; S113-H189 PolarHBondContact O-NE2 2.88Å; S113-H189 PolarHBondContact OG-CD2 2.9Å; S113-H189 PolarHBondContact OG-NE2 3.29Å; K114-H189 PolarHBondContact O-CE1 3.05Å; C115-H189 WeakPolarHBondContact CB-O 3.33Å; C115-H189 PolarHBondContact O-N 2.6Å; I187-H189 WeakPolarHBondContact CG2-O 3.38Å; H189-P191 VanDerWaalsContact O-CD 3.3Å; H189-P191 WeakPolarHBondContact O-CD 3.47Å; H189-N226 WeakPolarHBondContact CB-ND2 3.46Å; H189-N226 WeakPolarHBondContact CB-OD1 3.48Å; H189-N226 PolarHBondContact CD2-ND2 3.08Å
190M94.4Very high93.7Very high35 Ų3537 Ų3717%0.17219%0.193CC..  trans-118.388.2-169.6-63.6169.4-170.300109.9I154 N226 T262I154-M190 HydrophobicContact CG2-CB 3.93Å; I154-M190 HydrophobicContact CG2-CG 3.89Å; M190-N226 PolarHBondContact N-OD1 2.82Å; M190-N226 PolarHBondContact O-OD1 3Å; M190-T262 HydrophobicContact SD-CG2 3.98Å
191P95.3Very high93.4Very high0 Ų039.7 Ų39.70%021%0.21CC..  trans-74.2126.6174.731.6-36.1000110.6L110 C115 I154 H189 M225 C232L110-P191 HydrophobicContact CD2-CG 3.89Å; C115-P191 HydrophobicContact CB-CG 3.89Å; I154-P191 HydrophobicContact CD1-CG 4.2Å; I154-P191 WeakPolarHBondContact CG1-O 3.16Å; H189-P191 VanDerWaalsContact O-CD 3.3Å; H189-P191 WeakPolarHBondContact O-CD 3.47Å; P191-M225 WeakPolarHBondContact CA-O 3.14Å; P191-C232 HydrophobicContact CB-CB 4.38Å
192I95.9Very high93.1Very high0 Ų033.1 Ų33.10%018%0.175CC..EExtended strand (participates in β ladder)trans-118.3135.3178.3-58175.1000108.5I151 A224 M225 V258 I261 T262 I265I151-I192 HydrophobicContact CG1-CG2 4.08Å; I192-A224 VanDerWaalsContact O-CA 3.32Å; I192-A224 WeakPolarHBondContact O-CA 3.39Å; I192-M225 PolarHBondContact N-O 2.86Å; I192-M225 PolarHBondContact O-N 3.43Å; I192-V258 HydrophobicContact CB-CG1 4.34Å; I192-V258 HydrophobicContact CB-CG2 4.12Å; I192-V258 HydrophobicContact CD1-CG1 4.33Å; I192-I261 HydrophobicContact CD1-CB 4.02Å; I192-I261 HydrophobicContact CD1-CG2 3.74Å; I192-I261 HydrophobicContact CG2-CD1 4.31Å; I192-I261 HydrophobicContact CG2-CG2 4.4Å; I192-T262 WeakPolarHBondContact CD1-OG1 3.06Å; I192-I265 HydrophobicContact CD1-CD1 3.9Å
193C96.1Very high93.1Very high0 Ų036.3 Ų36.30%020%0.195CC..EExtended strand (participates in β ladder)trans-83.7139.8175.7-65.80000110.7I146 D147 S150 V222I146-C193 HydrophobicContact CG2-CB 3.73Å; D147-C193 VanDerWaalsContact OD1-C 3.31Å; D147-C193 VanDerWaalsContact OD1-O 3.11Å; S150-C193 WeakPolarHBondContact OG-CB 3.35Å; S150-C193 PolarHBondContact OG-N 3.38Å; S150-C193 VanDerWaalsContact OG-N 3.11Å; C193-V222 HydrophobicContact CB-CG1 3.95Å
194I97Very high93.1Very high0 Ų037.1 Ų37.10%019%0.193CC..EExtended strand (participates in β ladder)trans-127.5123.4174.3-65.4-177.7000108.9Y32 D147 F196 V222 I223 A254 K257 V258Y32-I194 WeakPolarHBondContact OH-CA 3.47Å; Y32-I194 WeakPolarHBondContact OH-CG1 3.3Å; Y32-I194 WeakPolarHBondContact OH-CG2 3.26Å; D147-I194 WeakPolarHBondContact OD1-CA 3.41Å; D147-I194 WeakPolarHBondContact OD2-CA 3.25Å; I194-F196 HydrophobicContact CB-CE2 4.32Å; I194-F196 HydrophobicContact CG2-CD2 4.21Å; I194-F196 HydrophobicContact CG2-CE1 4.21Å; I194-F196 HydrophobicContact CG2-CE2 3.49Å; I194-F196 VanDerWaalsContact CG2-CE2 3.49Å; I194-F196 HydrophobicContact CG2-CZ 3.5Å; I194-V222 WeakPolarHBondContact O-CA 3.36Å; I194-I223 PolarHBondContact N-O 2.83Å; I194-I223 PolarHBondContact O-N 3.08Å; I194-A254 HydrophobicContact CB-CB 4.26Å; I194-A254 VanDerWaalsContact CD1-CA 3.43Å; I194-A254 HydrophobicContact CD1-CB 3.78Å; I194-A254 WeakPolarHBondContact CD1-O 3.47Å; I194-A254 HydrophobicContact CG2-CB 4.23Å; I194-K257 HydrophobicContact CD1-CB 3.61Å; I194-V258 HydrophobicContact CD1-CB 4.37Å; I194-V258 HydrophobicContact CD1-CG2 3.37Å; I194-V258 HydrophobicContact CG1-CG2 3.99Å
195S96.6Very high93.1Very high0 Ų035 Ų350%018%0.177CC..EExtended strand (participates in β ladder)trans-101.1125.5-177-66.30000111.7N144 D147 D208N144-S195 WeakPolarHBondContact OD1-CB 3.29Å; N144-S195 PolarHBondContact OD1-OG 2.91Å; N144-S195 VanDerWaalsContact OD1-OG 3.1Å; D147-S195 WeakPolarHBondContact OD1-CB 3.43Å; D147-S195 PolarHBondContact OD1-N 2.95Å; D147-S195 PolarHBondContact OD1-OG 2.68Å; D147-S195 PolarHBondContact OD2-N 3.07Å; S195-D208 PolarHBondContact O-N 2.84Å
196F96.3Very high93.2Very high0 Ų034 Ų340%017%0.172CC..EExtended strand (participates in β ladder)trans-111.4121.5175.1-60.9-82.5000109.7I194 F198 L205 L206 V207 L220 L221 I223 C250 I253 A254I194-F196 HydrophobicContact CB-CE2 4.32Å; I194-F196 HydrophobicContact CG2-CD2 4.21Å; I194-F196 HydrophobicContact CG2-CE1 4.21Å; I194-F196 HydrophobicContact CG2-CE2 3.49Å; I194-F196 VanDerWaalsContact CG2-CE2 3.49Å; I194-F196 HydrophobicContact CG2-CZ 3.5Å; F196-F198 HydrophobicContact CB-CE2 4.35Å; F196-L205 HydrophobicContact CB-CD1 4.31Å; F196-L205 HydrophobicContact CD1-CD1 4Å; F196-L205 HydrophobicContact CD1-CD2 3.9Å; F196-L205 HydrophobicContact CD1-CG 4.19Å; F196-L205 HydrophobicContact CE1-CD2 4.45Å; F196-L205 HydrophobicContact CG-CD1 4.41Å; F196-L206 CarbonylContact C-O 3.59Å; F196-L206 WeakPolarHBondContact CA-O 3.38Å; F196-V207 HydrophobicContact CD1-CG2 3.69Å; F196-V207 HydrophobicContact CE1-CG2 3.55Å; F196-L220 CarbonylContact O-C 3.55Å; F196-L220 WeakPolarHBondContact O-CA 3.4Å; F196-L221 HydrophobicContact CB-CB 4.36Å; F196-L221 PolarHBondContact N-O 3.1Å; F196-L221 PolarHBondContact O-N 3.26Å; F196-I223 HydrophobicContact CD2-CD1 4.25Å; F196-I223 HydrophobicContact CD2-CG1 4.28Å; F196-I223 HydrophobicContact CE2-CB 4.39Å; F196-I223 HydrophobicContact CE2-CD1 3.84Å; F196-I223 HydrophobicContact CE2-CG1 4.07Å; F196-C250 HydrophobicContact CD1-CB 4.38Å; F196-C250 HydrophobicContact CD2-CB 3.96Å; F196-C250 HydrophobicContact CE1-CB 4.2Å; F196-C250 HydrophobicContact CE2-CB 3.79Å; F196-C250 HydrophobicContact CG-CB 4.25Å; F196-C250 HydrophobicContact CZ-CB 3.91Å; F196-C250 WeakPolarHBondContact CZ-O 3.29Å; F196-I253 HydrophobicContact CE1-CB 4.27Å; F196-I253 HydrophobicContact CE1-CG2 4.09Å; F196-I253 HydrophobicContact CZ-CB 4.37Å; F196-I253 HydrophobicContact CZ-CG2 4.42Å; F196-A254 HydrophobicContact CE2-CB 4.06Å; F196-A254 HydrophobicContact CZ-CB 3.93Å
197A95.6Very high93.3Very high0 Ų031.1 Ų31.10%015%0.152CC..EExtended strand (participates in β ladder)trans-93.2136.9172.700000110.5F199 L205 L206 P209 M217A197-F199 HydrophobicContact CB-CE2 3.81Å; A197-F199 HydrophobicContact CB-CZ 3.98Å; A197-L205 WeakPolarHBondContact O-CA 3.21Å; A197-L206 PolarHBondContact N-O 3.16Å; A197-L206 PolarHBondContact O-N 3.05Å; A197-P209 HydrophobicContact CB-CB 3.88Å; A197-P209 HydrophobicContact CB-CG 3.97Å; A197-M217 HydrophobicContact CB-CB 4.26Å; A197-M217 HydrophobicContact CB-SD 3.99Å
198F95.3Very high93.3Very high1 Ų128.9 Ų28.90%0.00414%0.14CC..EExtended strand (participates in β ladder)trans-113.1136.9177.5-71.3-81.3000110.9F196 Y204 L205 D218 G219 L221 I240 L242F196-F198 HydrophobicContact CB-CE2 4.35Å; F198-Y204 WeakPolarHBondContact CA-O 3.36Å; F198-L205 HydrophobicContact CD1-CB 4.41Å; F198-L205 HydrophobicContact CE1-CB 4.27Å; F198-L205 HydrophobicContact CE1-CD1 3.72Å; F198-L205 HydrophobicContact CE1-CG 4.38Å; F198-L205 HydrophobicContact CZ-CD1 3.83Å; F198-D218 PolarHBondContact O-N 3.36Å; F198-G219 PolarHBondContact N-O 2.89Å; F198-G219 PolarHBondContact O-N 2.72Å; F198-L221 HydrophobicContact CD2-CB 4.37Å; F198-L221 HydrophobicContact CE2-CB 3.59Å; F198-L221 HydrophobicContact CE2-CD2 4.17Å; F198-L221 HydrophobicContact CZ-CD2 4.33Å; F198-I240 HydrophobicContact CB-CD1 3.72Å; F198-I240 HydrophobicContact CD2-CD1 3.28Å; F198-I240 HydrophobicContact CE2-CD1 4.02Å; F198-I240 HydrophobicContact CG-CD1 3.66Å; F198-L242 HydrophobicContact CD1-CD2 3.84Å; F198-L242 HydrophobicContact CD2-CD2 3.94Å; F198-L242 HydrophobicContact CE1-CD2 3.5Å; F198-L242 HydrophobicContact CE2-CD1 4.02Å; F198-L242 HydrophobicContact CE2-CD2 3.62Å; F198-L242 HydrophobicContact CE2-CG 4.46Å; F198-L242 HydrophobicContact CG-CD2 4.03Å; F198-L242 HydrophobicContact CZ-CD1 4.3Å; F198-L242 HydrophobicContact CZ-CD2 3.38Å; F198-L242 HydrophobicContact CZ-CG 4.49Å
199F93.3Very high93.4Very high1 Ų123.4 Ų23.40%0.00412%0.115CC..EExtended strand (participates in β ladder)trans-124.2150.6178.5-55.5-90.7000110.6L15 I18 A197 G202 T203 Y204 L206 E213 V216 M217L15-F199 HydrophobicContact CD2-CD1 4.34Å; I18-F199 HydrophobicContact CG2-CB 4.3Å; I18-F199 HydrophobicContact CG2-CD2 4.13Å; I18-F199 HydrophobicContact CG2-CG 4.21Å; A197-F199 HydrophobicContact CB-CE2 3.81Å; A197-F199 HydrophobicContact CB-CZ 3.98Å; F199-G202 PolarHBondContact O-N 3.21Å; F199-G202 VanDerWaalsContact O-N 3.16Å; F199-T203 PolarHBondContact O-N 3.39Å; F199-T203 PolarHBondContact O-OG1 2.83Å; F199-Y204 PolarHBondContact N-O 2.83Å; F199-Y204 PolarHBondContact O-N 3.48Å; F199-L206 HydrophobicContact CD2-CD1 3.69Å; F199-L206 HydrophobicContact CE2-CB 4.02Å; F199-L206 HydrophobicContact CE2-CD1 3.52Å; F199-L206 HydrophobicContact CE2-CD2 4.22Å; F199-L206 HydrophobicContact CE2-CG 4.09Å; F199-E213 WeakPolarHBondContact CE1-O 3.37Å; F199-E213 HydrophobicContact CZ-CB 4.25Å; F199-V216 HydrophobicContact CD1-CG2 4.25Å; F199-V216 HydrophobicContact CE1-CG2 3.72Å; F199-M217 HydrophobicContact CD1-CB 4.25Å; F199-M217 HydrophobicContact CE1-CB 3.7Å; F199-M217 HydrophobicContact CZ-CB 3.98Å
200Q89.3Confident93.4Very high62 Ų6222.9 Ų22.929%0.2911%0.113SC..THydrogen-bonded Turntrans50.561.2176.9-61-177.60.200111.4E19 G202 T203 D218E19-Q200 PolarHBondContact OE1-NE2 2.76Å; Q200-G202 PolarHBondContact O-N 2.91Å; Q200-T203 WeakPolarHBondContact CB-OG1 3.1Å; Q200-T203 WeakPolarHBondContact O-CG2 3.2Å; Q200-T203 PolarHBondContact O-N 3.48Å; Q200-T203 PolarHBondContact O-OG1 3.46Å; Q200-D218 VanDerWaalsContact CA-OD2 3.28Å; Q200-D218 WeakPolarHBondContact CA-OD2 3.34Å; Q200-D218 PolarHBondContact N-OD2 3.17Å
201Q84.3Confident93.3Very high170 Ų17023.6 Ų23.679%0.79412%0.116SC*.THydrogen-bonded Turntrans58.229.6179.7-58.1176.3-1600114.1D218Q201-D218 PolarHBondContact N-OD2 3.31Å
202G83.3Confident93.2Very high2 Ų229.9 Ų29.92%0.02114%0.14CC..THydrogen-bonded Turntrans85.617.1175.200000115F199 Q200 Q246F199-G202 PolarHBondContact O-N 3.21Å; F199-G202 VanDerWaalsContact O-N 3.16Å; Q200-G202 PolarHBondContact O-N 2.91Å; G202-Q246 PolarHBondContact O-NE2 2.8Å
203T89.7Confident93.1Very high91 Ų9130 Ų3056%0.55814%0.141SC*.THydrogen-bonded Turntrans-71.1-40.4172.949.70000111.8F199 Q200F199-T203 PolarHBondContact O-N 3.39Å; F199-T203 PolarHBondContact O-OG1 2.83Å; Q200-T203 WeakPolarHBondContact CB-OG1 3.1Å; Q200-T203 WeakPolarHBondContact O-CG2 3.2Å; Q200-T203 PolarHBondContact O-N 3.48Å; Q200-T203 PolarHBondContact O-OG1 3.46Å
204Y93.1Very high92.9Very high63 Ų6332 Ų3225%0.24715%0.15CC..EExtended strand (participates in β ladder)trans-109.9142.5177.4-58.7-82.9000111.2I18 E19 F198 F199I18-Y204 HydrophobicContact CG2-CD1 4.36Å; I18-Y204 HydrophobicContact CG2-CD2 4.31Å; I18-Y204 HydrophobicContact CG2-CG 3.86Å; E19-Y204 HydrophobicContact CG-CE2 3.96Å; F198-Y204 WeakPolarHBondContact CA-O 3.36Å; F199-Y204 PolarHBondContact N-O 2.83Å; F199-Y204 PolarHBondContact O-N 3.48Å
205L94Very high92.7Very high29 Ų2935.6 Ų35.615%0.15216%0.164CC..EExtended strand (participates in β ladder)trans-127.3131.7179.8174149.6000109.8Y30 F196 A197 F198 C250Y30-L205 HydrophobicContact CD1-CD2 3.95Å; Y30-L205 HydrophobicContact CE1-CD2 3.45Å; Y30-L205 VanDerWaalsContact CE1-CD2 3.45Å; F196-L205 HydrophobicContact CB-CD1 4.31Å; F196-L205 HydrophobicContact CD1-CD1 4Å; F196-L205 HydrophobicContact CD1-CD2 3.9Å; F196-L205 HydrophobicContact CD1-CG 4.19Å; F196-L205 HydrophobicContact CE1-CD2 4.45Å; F196-L205 HydrophobicContact CG-CD1 4.41Å; A197-L205 WeakPolarHBondContact O-CA 3.21Å; F198-L205 HydrophobicContact CD1-CB 4.41Å; F198-L205 HydrophobicContact CE1-CB 4.27Å; F198-L205 HydrophobicContact CE1-CD1 3.72Å; F198-L205 HydrophobicContact CE1-CG 4.38Å; F198-L205 HydrophobicContact CZ-CD1 3.83Å; L205-C250 WeakPolarHBondContact CD1-SG 3.37Å
206L94.8Very high92.5Very high3 Ų336.1 Ų36.12%0.01617%0.167CC..EExtended strand (participates in β ladder)trans-125.3150.1172.9-80.377.5000110.5I18 R23 F196 A197 F199I18-L206 HydrophobicContact CD1-CD1 3.91Å; I18-L206 HydrophobicContact CD1-CD2 3.57Å; I18-L206 HydrophobicContact CD1-CG 4.4Å; I18-L206 HydrophobicContact CG1-CD1 4.49Å; I18-L206 HydrophobicContact CG2-CD1 3.81Å; R23-L206 HydrophobicContact CG-CD2 4.12Å; F196-L206 CarbonylContact C-O 3.59Å; F196-L206 WeakPolarHBondContact CA-O 3.38Å; A197-L206 PolarHBondContact N-O 3.16Å; A197-L206 PolarHBondContact O-N 3.05Å; F199-L206 HydrophobicContact CD2-CD1 3.69Å; F199-L206 HydrophobicContact CE2-CB 4.02Å; F199-L206 HydrophobicContact CE2-CD1 3.52Å; F199-L206 HydrophobicContact CE2-CD2 4.22Å; F199-L206 HydrophobicContact CE2-CG 4.09Å
207V95.4Very high92.4Very high0 Ų038.4 Ų38.40%018%0.178CC..EExtended strand (participates in β ladder)trans-102141.4170.8178.90000108.8R23 T29 Y30 Y32 F196 I253R23-V207 PolarHBondContact NH1-O 2.9Å; T29-V207 PolarHBondContact O-N 3.31Å; Y30-V207 HydrophobicContact CD1-CG2 4.07Å; Y32-V207 HydrophobicContact CD2-CG1 3.93Å; Y32-V207 HydrophobicContact CE2-CG1 3.45Å; Y32-V207 VanDerWaalsContact CE2-CG1 3.45Å; F196-V207 HydrophobicContact CD1-CG2 3.69Å; F196-V207 HydrophobicContact CE1-CG2 3.55Å; V207-I253 HydrophobicContact CG2-CG2 4.34Å
208D94.9Very high92.3Very high0 Ų041.9 Ų41.90%020%0.197CC..SBendtrans54.770.2176.1-179.740.3000112.9R23 R27 Y32 R33 L50 N144 S195R23-D208 PolarHBondContact NH2-O 2.81Å; R27-D208 IonicContact CZ-OD2 3.58Å; R27-D208 IonicContact NH1-OD2 3.17Å; R27-D208 PolarHBondContact NH1-OD2 3.16Å; R27-D208 IonicContact NH2-OD2 2.93Å; Y32-D208 HydrophobicContact CD1-CB 3.61Å; Y32-D208 HydrophobicContact CE1-CB 3.69Å; Y32-D208 HydrophobicContact CG-CB 4.23Å; R33-D208 WeakPolarHBondContact CG-OD2 3.34Å; R33-D208 IonicContact CZ-OD1 3.62Å; R33-D208 IonicContact CZ-OD2 3.99Å; R33-D208 PolarHBondContact N-OD2 3.36Å; R33-D208 IonicContact NE-OD1 4Å; R33-D208 PolarHBondContact NE-OD1 2.79Å; R33-D208 IonicContact NE-OD2 2.69Å; R33-D208 PolarHBondContact NE-OD2 3.02Å; R33-D208 IonicContact NH2-OD1 3.94Å; R33-D208 PolarHBondContact NH2-OD1 3.39Å; R33-D208 IonicContact NH2-OD2 3.13Å; L50-D208 WeakPolarHBondContact CD2-OD1 3.29Å; N144-D208 WeakPolarHBondContact CB-OD1 3.38Å; N144-D208 PolarHBondContact ND2-OD1 3.25Å; S195-D208 PolarHBondContact O-N 2.84Å
209P94.5Very high92.2Very high0 Ų042 Ų420%020%0.198CC..  trans-67140.3179.231.2-37.3000111.6N144 A197 E213 E214 L220N144-P209 PolarHBondContact N-O 3.44Å; A197-P209 HydrophobicContact CB-CB 3.88Å; A197-P209 HydrophobicContact CB-CG 3.97Å; P209-E213 VanDerWaalsContact CA-OE2 3.29Å; P209-E213 WeakPolarHBondContact CA-OE2 3.42Å; P209-E213 HydrophobicContact CB-CB 3.95Å; P209-E214 HydrophobicContact CB-CG 3.78Å; P209-E214 HydrophobicContact CG-CG 3.65Å; P209-L220 HydrophobicContact CG-CD1 4.45Å
210N93.1Very high92.3Very high23 Ų2342.4 Ų42.412%0.12320%0.2CC..  trans-76.6166168-63.5-27.3000110.4D25 R27 R212 E213 E214D25-N210 PolarHBondContact OD2-ND2 2.77Å; R27-N210 PolarHBondContact NH2-OD1 2.88Å; N210-R212 VanDerWaalsContact C-N 3.25Å; N210-R212 PolarHBondContact O-N 3.01Å; N210-R212 VanDerWaalsContact O-N 3.13Å; N210-E213 HydrophobicContact CB-CG 4.47Å; N210-E213 PolarHBondContact N-OE2 3.38Å; N210-E213 CarbonylContact O-C 3.59Å; N210-E213 WeakPolarHBondContact O-CA 3.4Å; N210-E213 WeakPolarHBondContact O-CB 3.21Å; N210-E213 PolarHBondContact O-N 2.88Å; N210-E214 PolarHBondContact O-N 2.76Å
211E92.5Very high92.6Very high50 Ų5039.8 Ų39.823%0.23419%0.188CC..Hα-helixtrans-50.8-43.7-179.5-170-164.7173.800112.9D142 E213 E214 R215D142-E211 PolarHBondContact O-N 2.79Å; E211-E213 VanDerWaalsContact C-N 3.34Å; E211-E213 PolarHBondContact O-N 3.41Å; E211-E214 PolarHBondContact O-N 2.95Å; E211-R215 WeakPolarHBondContact O-CG 3.36Å; E211-R215 PolarHBondContact O-N 3Å; E211-R215 VanDerWaalsContact O-N 3.08Å; E211-R215 IonicContact OE1-CZ 3.27Å; E211-R215 IonicContact OE1-NE 3.4Å; E211-R215 PolarHBondContact OE1-NE 3.06Å; E211-R215 IonicContact OE1-NH2 2.74Å; E211-R215 PolarHBondContact OE1-NH2 2.88Å
212R93Very high93.1Very high132 Ų13231.7 Ų31.750%0.49815%0.15SC..Hα-helixtrans-66.5-35.9178-61.7-179-175.1-168.110.1112.9E10 L14 N210 R215 V216E10-R212 VanDerWaalsContact OE1-CD 3.25Å; E10-R212 WeakPolarHBondContact OE1-CD 3.41Å; E10-R212 IonicContact OE1-CZ 2.89Å; E10-R212 VanDerWaalsContact OE1-CZ 3.27Å; E10-R212 IonicContact OE1-NE 3.98Å; E10-R212 PolarHBondContact OE1-NE 3.15Å; E10-R212 IonicContact OE1-NH1 2.79Å; E10-R212 PolarHBondContact OE1-NH1 3.05Å; L14-R212 HydrophobicContact CD1-CB 4.08Å; N210-R212 VanDerWaalsContact C-N 3.25Å; N210-R212 PolarHBondContact O-N 3.01Å; N210-R212 VanDerWaalsContact O-N 3.13Å; R212-R215 PolarHBondContact O-N 3.47Å; R212-V216 PolarHBondContact O-N 3.28Å
213E93.4Very high93.8Very high3 Ų331.7 Ų31.71%0.01415%0.15CC..Hα-helixtrans-71.8-38.2177.3-66.6171.916400110.3R23 F199 P209 N210 E211 R215 V216 M217R23-E213 IonicContact CZ-OE1 3.99Å; R23-E213 IonicContact CZ-OE2 3.51Å; R23-E213 IonicContact NE-OE1 2.79Å; R23-E213 PolarHBondContact NE-OE1 3.28Å; R23-E213 IonicContact NE-OE2 3.77Å; R23-E213 IonicContact NH2-OE1 3.63Å; R23-E213 IonicContact NH2-OE2 3.19Å; R23-E213 PolarHBondContact NH2-OE2 3.49Å; F199-E213 WeakPolarHBondContact CE1-O 3.37Å; F199-E213 HydrophobicContact CZ-CB 4.25Å; P209-E213 VanDerWaalsContact CA-OE2 3.29Å; P209-E213 WeakPolarHBondContact CA-OE2 3.42Å; P209-E213 HydrophobicContact CB-CB 3.95Å; N210-E213 HydrophobicContact CB-CG 4.47Å; N210-E213 PolarHBondContact N-OE2 3.38Å; N210-E213 CarbonylContact O-C 3.59Å; N210-E213 WeakPolarHBondContact O-CA 3.4Å; N210-E213 WeakPolarHBondContact O-CB 3.21Å; N210-E213 PolarHBondContact O-N 2.88Å; E211-E213 VanDerWaalsContact C-N 3.34Å; E211-E213 PolarHBondContact O-N 3.41Å; E213-R215 VanDerWaalsContact C-N 3.31Å; E213-R215 PolarHBondContact O-N 3.19Å; E213-V216 WeakPolarHBondContact O-CG2 3.21Å; E213-V216 PolarHBondContact O-N 3.34Å; E213-M217 PolarHBondContact O-N 3.18Å
214E92.3Very high94.1Very high42 Ų4227.3 Ų27.320%0.19612%0.123CC..Hα-helixtrans-62.7-35.4173.5-69.9-171.1158.500112.5H141 G143 N144 P209 N210 E211 V216 M217H141-E214 IonicContact CE1-OE2 3.5Å; H141-E214 IonicContact NE2-OE2 2.69Å; G143-E214 WeakPolarHBondContact CA-OE2 3.33Å; N144-E214 WeakPolarHBondContact CA-OE1 3.31Å; N144-E214 PolarHBondContact N-OE1 2.99Å; P209-E214 HydrophobicContact CB-CG 3.78Å; P209-E214 HydrophobicContact CG-CG 3.65Å; N210-E214 PolarHBondContact O-N 2.76Å; E211-E214 PolarHBondContact O-N 2.95Å; E214-V216 VanDerWaalsContact C-N 3.26Å; E214-V216 PolarHBondContact O-N 3.03Å; E214-M217 HydrophobicContact CB-CE 3.94Å; E214-M217 HydrophobicContact CB-SD 4.37Å; E214-M217 HydrophobicContact CG-CE 4.1Å; E214-M217 HydrophobicContact CG-SD 4.34Å; E214-M217 VanDerWaalsContact O-CG 3.32Å; E214-M217 WeakPolarHBondContact O-CG 3.4Å
215R91.8Very high94.2Very high75 Ų7524.6 Ų24.628%0.28311%0.112SC..THydrogen-bonded Turntrans-70.5-20.3176.9-70.2175.3-176.7-152.25.4114T4 L6 E211 R212 E213T4-R215 PolarHBondContact O-NH1 3.03Å; L6-R215 HydrophobicContact CD2-CB 4.31Å; E211-R215 WeakPolarHBondContact O-CG 3.36Å; E211-R215 PolarHBondContact O-N 3Å; E211-R215 VanDerWaalsContact O-N 3.08Å; E211-R215 IonicContact OE1-CZ 3.27Å; E211-R215 IonicContact OE1-NE 3.4Å; E211-R215 PolarHBondContact OE1-NE 3.06Å; E211-R215 IonicContact OE1-NH2 2.74Å; E211-R215 PolarHBondContact OE1-NH2 2.88Å; R212-R215 PolarHBondContact O-N 3.47Å; E213-R215 VanDerWaalsContact C-N 3.31Å; E213-R215 PolarHBondContact O-N 3.19Å
216V93.6Very high94.2Very high11 Ų1123.3 Ų23.37%0.06711%0.106CC..THydrogen-bonded Turntrans-110.3-2.6-179.6-53.60000113.4L6 R11 L14 F199 R212 E213 E214L6-V216 HydrophobicContact CD2-CG1 3.39Å; R11-V216 HydrophobicContact CB-CG1 4.29Å; R11-V216 HydrophobicContact CG-CG1 3.89Å; L14-V216 HydrophobicContact CB-CG2 4.27Å; L14-V216 HydrophobicContact CD1-CG1 3.96Å; L14-V216 HydrophobicContact CD1-CG2 4.2Å; F199-V216 HydrophobicContact CD1-CG2 4.25Å; F199-V216 HydrophobicContact CE1-CG2 3.72Å; R212-V216 PolarHBondContact O-N 3.28Å; E213-V216 WeakPolarHBondContact O-CG2 3.21Å; E213-V216 PolarHBondContact O-N 3.34Å; E214-V216 VanDerWaalsContact C-N 3.26Å; E214-V216 PolarHBondContact O-N 3.03Å
217M93.7Very high94Very high48 Ų4827.3 Ų27.324%0.23612%0.123CC..  trans-73.8145.3176.379.7-171.6164.400110.8A197 F199 E213 E214 L220A197-M217 HydrophobicContact CB-CB 4.26Å; A197-M217 HydrophobicContact CB-SD 3.99Å; F199-M217 HydrophobicContact CD1-CB 4.25Å; F199-M217 HydrophobicContact CE1-CB 3.7Å; F199-M217 HydrophobicContact CZ-CB 3.98Å; E213-M217 PolarHBondContact O-N 3.18Å; E214-M217 HydrophobicContact CB-CE 3.94Å; E214-M217 HydrophobicContact CB-SD 4.37Å; E214-M217 HydrophobicContact CG-CE 4.1Å; E214-M217 HydrophobicContact CG-SD 4.34Å; E214-M217 VanDerWaalsContact O-CG 3.32Å; E214-M217 WeakPolarHBondContact O-CG 3.4Å; M217-L220 HydrophobicContact CE-CB 4.12Å; M217-L220 HydrophobicContact CE-CD1 4.23Å; M217-L220 HydrophobicContact SD-CB 4.1Å; M217-L220 HydrophobicContact SD-CD1 3.94Å
218D92.5Very high93.8Very high74 Ų7433.4 Ų33.440%0.39615%0.151SC..SBendtrans-84.6-32.9174.4-61.7-33.5000110.1F198 Q200 Q201 G238 I240F198-D218 PolarHBondContact O-N 3.36Å; Q200-D218 VanDerWaalsContact CA-OD2 3.28Å; Q200-D218 WeakPolarHBondContact CA-OD2 3.34Å; Q200-D218 PolarHBondContact N-OD2 3.17Å; Q201-D218 PolarHBondContact N-OD2 3.31Å; D218-G238 CarbonylContact O-C 3.5Å; D218-G238 WeakPolarHBondContact O-CA 3.31Å; D218-I240 HydrophobicContact CB-CG2 3.86Å
219G93.5Very high93.6Very high2 Ų242.3 Ų42.32%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-161.5169.8176.300000115F198 S237F198-G219 PolarHBondContact N-O 2.89Å; F198-G219 PolarHBondContact O-N 2.72Å; G219-S237 CarbonylContact C-O 3.5Å; G219-S237 VanDerWaalsContact CA-O 3.25Å; G219-S237 WeakPolarHBondContact CA-O 3.18Å
220L94.9Very high93.6Very high10 Ų1047.9 Ų47.95%0.05221%0.211CC..EExtended strand (participates in β ladder)trans-136.4125.9-170.4-177.588.7000109.1I146 F196 P209 M217 V222 S237I146-L220 HydrophobicContact CD1-CD2 3.97Å; F196-L220 CarbonylContact O-C 3.55Å; F196-L220 WeakPolarHBondContact O-CA 3.4Å; P209-L220 HydrophobicContact CG-CD1 4.45Å; M217-L220 HydrophobicContact CE-CB 4.12Å; M217-L220 HydrophobicContact CE-CD1 4.23Å; M217-L220 HydrophobicContact SD-CB 4.1Å; M217-L220 HydrophobicContact SD-CD1 3.94Å; L220-V222 HydrophobicContact CD2-CG2 4.02Å; L220-V222 HydrophobicContact CG-CG2 4.38Å; L220-S237 PolarHBondContact N-O 2.77Å; L220-S237 PolarHBondContact O-N 2.87Å; L220-S237 PolarHBondContact O-OG 3.04Å
221L95.6Very high93.7Very high7 Ų751.1 Ų51.14%0.03723%0.227CC..EExtended strand (participates in β ladder)trans-111.2124.3170.8176.669.7000109.1F196 F198 I223 Q235 L242 V247 C250F196-L221 HydrophobicContact CB-CB 4.36Å; F196-L221 PolarHBondContact N-O 3.1Å; F196-L221 PolarHBondContact O-N 3.26Å; F198-L221 HydrophobicContact CD2-CB 4.37Å; F198-L221 HydrophobicContact CE2-CB 3.59Å; F198-L221 HydrophobicContact CE2-CD2 4.17Å; F198-L221 HydrophobicContact CZ-CD2 4.33Å; L221-I223 HydrophobicContact CD2-CD1 4.11Å; L221-I223 HydrophobicContact CD2-CG1 4.26Å; L221-I223 HydrophobicContact CG-CG1 4.11Å; L221-Q235 CarbonylContact C-O 3.58Å; L221-Q235 WeakPolarHBondContact CA-O 3.24Å; L221-L242 HydrophobicContact CD2-CD1 4.41Å; L221-V247 HydrophobicContact CD2-CG2 4.45Å; L221-C250 HydrophobicContact CD2-CB 4.19Å
222V96.4Very high93.8Very high1 Ų150.4 Ų50.41%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-104.6132.2171.9-173.30000108.9L105 I146 C193 I194 L220 I234 Q235L105-V222 HydrophobicContact CD2-CB 4.17Å; L105-V222 HydrophobicContact CD2-CG1 4.09Å; L105-V222 HydrophobicContact CD2-CG2 4.05Å; I146-V222 HydrophobicContact CD1-CG2 3.62Å; I146-V222 HydrophobicContact CG2-CG1 3.94Å; I146-V222 HydrophobicContact CG2-CG2 4.46Å; C193-V222 HydrophobicContact CB-CG1 3.95Å; I194-V222 WeakPolarHBondContact O-CA 3.36Å; L220-V222 HydrophobicContact CD2-CG2 4.02Å; L220-V222 HydrophobicContact CG-CG2 4.38Å; V222-I234 CarbonylContact O-C 3.6Å; V222-I234 WeakPolarHBondContact O-CA 3.08Å; V222-Q235 PolarHBondContact N-O 3.07Å; V222-Q235 PolarHBondContact O-N 3Å
223I96.8Very high93.9Very high1 Ų144.7 Ų44.71%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-122.7120.3172.3-53-176000107.5I194 F196 L221 M225 I231 I234 C250 A254I194-I223 PolarHBondContact N-O 2.83Å; I194-I223 PolarHBondContact O-N 3.08Å; F196-I223 HydrophobicContact CD2-CD1 4.25Å; F196-I223 HydrophobicContact CD2-CG1 4.28Å; F196-I223 HydrophobicContact CE2-CB 4.39Å; F196-I223 HydrophobicContact CE2-CD1 3.84Å; F196-I223 HydrophobicContact CE2-CG1 4.07Å; L221-I223 HydrophobicContact CD2-CD1 4.11Å; L221-I223 HydrophobicContact CD2-CG1 4.26Å; L221-I223 HydrophobicContact CG-CG1 4.11Å; I223-M225 HydrophobicContact CG2-CG 3.63Å; I223-M225 HydrophobicContact CG2-SD 4.05Å; I223-I231 HydrophobicContact CG2-CG2 4.38Å; I223-I234 HydrophobicContact CB-CG2 4.45Å; I223-I234 HydrophobicContact CG1-CG2 4.22Å; I223-I234 HydrophobicContact CG2-CG2 4.06Å; I223-C250 HydrophobicContact CD1-CB 3.67Å; I223-A254 HydrophobicContact CB-CB 4.44Å; I223-A254 HydrophobicContact CG2-CB 4.39Å
224A96.3Very high94Very high0 Ų049.2 Ų49.20%023%0.231CC..EExtended strand (participates in β ladder)trans-93.7122.4169.200000109.7C109 I192 C232 T233C109-A224 WeakPolarHBondContact SG-CB 3.37Å; I192-A224 VanDerWaalsContact O-CA 3.32Å; I192-A224 WeakPolarHBondContact O-CA 3.39Å; A224-C232 HydrophobicContact CB-CB 4.1Å; A224-C232 PolarHBondContact O-N 3.46Å; A224-T233 VanDerWaalsContact CB-OG1 3.31Å; A224-T233 WeakPolarHBondContact CB-OG1 3.38Å; A224-T233 PolarHBondContact N-O 3.25Å
225M95.6Very high94.1Very high5 Ų549.4 Ų49.43%0.02523%0.231CC..EExtended strand (participates in β ladder)trans-128.8158.1177.4-61.1-169.466.500111.3P191 I192 I223 R229 E230 I231 S251 A254 V258P191-M225 WeakPolarHBondContact CA-O 3.14Å; I192-M225 PolarHBondContact N-O 2.86Å; I192-M225 PolarHBondContact O-N 3.43Å; I223-M225 HydrophobicContact CG2-CG 3.63Å; I223-M225 HydrophobicContact CG2-SD 4.05Å; M225-R229 HydrophobicContact CE-CB 4.28Å; M225-R229 WeakPolarHBondContact CE-O 3.42Å; M225-E230 WeakPolarHBondContact CA-O 3.27Å; M225-I231 HydrophobicContact CE-CG1 3.96Å; M225-I231 HydrophobicContact CG-CG1 4.19Å; M225-I231 HydrophobicContact SD-CG1 4.3Å; M225-S251 VanDerWaalsContact SD-O 3.39Å; M225-A254 HydrophobicContact CG-CB 4.36Å; M225-A254 HydrophobicContact SD-CB 3.62Å; M225-V258 HydrophobicContact CB-CG2 3.87Å; M225-V258 WeakPolarHBondContact O-CG1 3.39Å
226N93.3Very high94.2Very high3 Ų348.9 Ų48.92%0.01624%0.239CC..  trans-103.8167.5176.7-169.610.6000111.3H189 M190 H228 R229 E230H189-N226 WeakPolarHBondContact CB-ND2 3.46Å; H189-N226 WeakPolarHBondContact CB-OD1 3.48Å; H189-N226 PolarHBondContact CD2-ND2 3.08Å; M190-N226 PolarHBondContact N-OD1 2.82Å; M190-N226 PolarHBondContact O-OD1 3Å; N226-H228 PolarHBondContact ND2-CD2 2.85Å; N226-H228 PolarHBondContact O-N 3.03Å; N226-R229 WeakPolarHBondContact O-CA 3.48Å; N226-R229 PolarHBondContact O-N 2.93Å; N226-E230 PolarHBondContact N-O 2.97Å
227K90.7Very high94Very high86 Ų8649.3 Ų49.337%0.37424%0.243SC..THydrogen-bonded Turntrans-55.6-32.3172.5-169.2171.2-167.6151.80112.4R229 T262 D263 Q266K227-R229 PolarHBondContact O-N 3.43Å; K227-T262 HydrophobicContact CB-CG2 4.41Å; K227-T262 HydrophobicContact CD-CG2 3.98Å; K227-D263 IonicContact NZ-OD1 3.05Å; K227-D263 PolarHBondContact NZ-OD1 2.89Å; K227-Q266 VanDerWaalsContact NZ-OE1 3.1Å
228H91.7Very high93.6Very high129 Ų12949.6 Ų49.660%0.59726%0.258SS*.THydrogen-bonded Turntrans-755.2175.6-58-58.5000114.4N226 E230N226-H228 PolarHBondContact ND2-CD2 2.85Å; N226-H228 PolarHBondContact O-N 3.03Å; H228-E230 HydrophobicContact CB-CG 4.2Å; H228-E230 PolarHBondContact O-N 2.8Å
229R91.6Very high93.2Very high186 Ų18650.1 Ų50.170%0.70228%0.281SS*.  trans62.122.6-176.3-54.4179.8176.2-178.3-0.9114.2M225 N226 K227M225-R229 HydrophobicContact CE-CB 4.28Å; M225-R229 WeakPolarHBondContact CE-O 3.42Å; N226-R229 WeakPolarHBondContact O-CA 3.48Å; N226-R229 PolarHBondContact O-N 2.93Å; K227-R229 PolarHBondContact O-N 3.43Å
230E94.1Very high93.1Very high117 Ų11751.1 Ų51.155%0.54729%0.286SS..  trans-85.1136.7172.1-63.4174.5155.500109.7M225 N226 H228M225-E230 WeakPolarHBondContact CA-O 3.27Å; N226-E230 PolarHBondContact N-O 2.97Å; H228-E230 HydrophobicContact CB-CG 4.2Å; H228-E230 PolarHBondContact O-N 2.8Å
231I95.3Very high92.8Very high91 Ų9158.8 Ų58.847%0.46732%0.323SS..EExtended strand (participates in β ladder)trans-87.9121.3178.7-59.7174000108.1I223 M225 I234I223-I231 HydrophobicContact CG2-CG2 4.38Å; M225-I231 HydrophobicContact CE-CG1 3.96Å; M225-I231 HydrophobicContact CG-CG1 4.19Å; M225-I231 HydrophobicContact SD-CG1 4.3Å; I231-I234 HydrophobicContact CG2-CG2 3.7Å
232C93.4Very high92.6Very high36 Ų3660.7 Ų60.724%0.24333%0.333CS..EExtended strand (participates in β ladder)trans-87-51.9178.3-61.50000110.6S113 P191 A224S113-C232 PolarHBondContact OG-SG 3.06Å; P191-C232 HydrophobicContact CB-CB 4.38Å; A224-C232 HydrophobicContact CB-CB 4.1Å; A224-C232 PolarHBondContact O-N 3.46Å
233T95.3Very high92.4Very high12 Ų1266.4 Ų66.47%0.07436%0.363CS..EExtended strand (participates in β ladder)trans-146150.8-179.866.40000111.2R108 A224R108-T233 HydrophobicContact CG-CG2 3.9Å; A224-T233 VanDerWaalsContact CB-OG1 3.31Å; A224-T233 WeakPolarHBondContact CB-OG1 3.38Å; A224-T233 PolarHBondContact N-O 3.25Å
234I95.2Very high92.3Very high98 Ų9875 Ų7550%0.50340%0.4SS..EExtended strand (participates in β ladder)trans-130.3139.8169.155.9174.4000109V222 I223 I231V222-I234 CarbonylContact O-C 3.6Å; V222-I234 WeakPolarHBondContact O-CA 3.08Å; I223-I234 HydrophobicContact CB-CG2 4.45Å; I223-I234 HydrophobicContact CG1-CG2 4.22Å; I223-I234 HydrophobicContact CG2-CG2 4.06Å; I231-I234 HydrophobicContact CG2-CG2 3.7Å
235Q94.6Very high92.2Very high45 Ų4579.3 Ų79.321%0.2142%0.423CS..EExtended strand (participates in β ladder)trans-142119.7174.9-173.2171.5-2.900110.4L105 L221 V222L105-Q235 HydrophobicContact CD1-CB 4.24Å; L105-Q235 VanDerWaalsContact CD1-OE1 3.31Å; L221-Q235 CarbonylContact C-O 3.58Å; L221-Q235 WeakPolarHBondContact CA-O 3.24Å; V222-Q235 PolarHBondContact N-O 3.07Å; V222-Q235 PolarHBondContact O-N 3Å
236S93.6Very high92.1Very high64 Ų6480.9 Ų80.945%0.44843%0.431SS..EExtended strand (participates in β ladder)trans-93.4141167.3-173.40000109.8
237S91.3Very high92.1Very high20 Ų2082.8 Ų82.814%0.1444%0.443CS..EExtended strand (participates in β ladder)trans-146.4158.4177.456.20000110.8K101 G219 L220K101-S237 PolarHBondContact NZ-OG 3.33Å; G219-S237 CarbonylContact C-O 3.5Å; G219-S237 VanDerWaalsContact CA-O 3.25Å; G219-S237 WeakPolarHBondContact CA-O 3.18Å; L220-S237 PolarHBondContact N-O 2.77Å; L220-S237 PolarHBondContact O-N 2.87Å; L220-S237 PolarHBondContact O-OG 3.04Å
238G84.8Confident92.4Very high55 Ų5583.8 Ų83.857%0.56745%0.451SS*.SBendtrans91.511.2-176.300000115.2D218 I240D218-G238 CarbonylContact O-C 3.5Å; D218-G238 WeakPolarHBondContact O-CA 3.31Å; G238-I240 PolarHBondContact O-N 2.89Å; G238-I240 VanDerWaalsContact O-N 3.11Å
239G84.3Confident92.5Very high84 Ų8483.9 Ų83.987%0.86645%0.446SS*.SBendtrans6422.5171.300000114.9
240I90.1Very high92.7Very high24 Ų2475 Ų7512%0.12341%0.413CS..  trans-81.4147.5-17956170.8000112.5F198 D218 G238 L242F198-I240 HydrophobicContact CB-CD1 3.72Å; F198-I240 HydrophobicContact CD2-CD1 3.28Å; F198-I240 HydrophobicContact CE2-CD1 4.02Å; F198-I240 HydrophobicContact CG-CD1 3.66Å; D218-I240 HydrophobicContact CB-CG2 3.86Å; G238-I240 PolarHBondContact O-N 2.89Å; G238-I240 VanDerWaalsContact O-N 3.11Å; I240-L242 HydrophobicContact CD1-CD1 3.87Å; I240-L242 HydrophobicContact CD1-CD2 3.69Å; I240-L242 HydrophobicContact CD1-CG 3.77Å; I240-L242 HydrophobicContact CG1-CD1 4.26Å; I240-L242 HydrophobicContact CG1-CD2 4.37Å; I240-L242 HydrophobicContact CG1-CG 4.01Å
241M89.5Confident92.8Very high170 Ų17070.7 Ų70.784%0.83740%0.396SS*.  trans-90.1113172.3-62.3178.47300109.1
242L90.5Very high92.8Very high48 Ų4874.2 Ų74.225%0.25141%0.408SS..  trans-108.2134.7-178.7-69.3173.9000111.4F198 L221 I240 V247F198-L242 HydrophobicContact CD1-CD2 3.84Å; F198-L242 HydrophobicContact CD2-CD2 3.94Å; F198-L242 HydrophobicContact CE1-CD2 3.5Å; F198-L242 HydrophobicContact CE2-CD1 4.02Å; F198-L242 HydrophobicContact CE2-CD2 3.62Å; F198-L242 HydrophobicContact CE2-CG 4.46Å; F198-L242 HydrophobicContact CG-CD2 4.03Å; F198-L242 HydrophobicContact CZ-CD1 4.3Å; F198-L242 HydrophobicContact CZ-CD2 3.38Å; F198-L242 HydrophobicContact CZ-CG 4.49Å; L221-L242 HydrophobicContact CD2-CD1 4.41Å; I240-L242 HydrophobicContact CD1-CD1 3.87Å; I240-L242 HydrophobicContact CD1-CD2 3.69Å; I240-L242 HydrophobicContact CD1-CG 3.77Å; I240-L242 HydrophobicContact CG1-CD1 4.26Å; I240-L242 HydrophobicContact CG1-CD2 4.37Å; I240-L242 HydrophobicContact CG1-CG 4.01Å; L242-V247 HydrophobicContact CB-CG2 4.3Å; L242-V247 HydrophobicContact CD1-CG2 4.47Å
243L92.9Very high92.9Very high121 Ų12173.8 Ų73.863%0.63440%0.403SS*.  trans-79.6144.6170.8-70.7164.5000110.2D245 Q246 V247L243-D245 PolarHBondContact O-N 2.85Å; L243-D245 VanDerWaalsContact O-N 3.16Å; L243-Q246 HydrophobicContact CB-CG 4.18Å; L243-Q246 WeakPolarHBondContact O-CB 3.43Å; L243-Q246 PolarHBondContact O-N 2.98Å; L243-V247 PolarHBondContact O-N 2.87Å
244K94.1Very high93Very high180 Ų18073.2 Ų73.278%0.78340%0.399SS*.Hα-helixtrans-54.2-36.8176.965.3179.3-178.3178.80113.4Q246 V247 L248K244-Q246 VanDerWaalsContact C-N 3.33Å; K244-Q246 PolarHBondContact O-N 2.8Å; K244-V247 PolarHBondContact O-N 2.85Å; K244-L248 WeakPolarHBondContact O-CG 3.28Å; K244-L248 PolarHBondContact O-N 3.35Å; K244-L248 VanDerWaalsContact O-N 3.12Å
245D94.6Very high93Very high91 Ų9169 Ų6949%0.48738%0.38SS..Hα-helixtrans-66.3-36.6-179.8-173.265.1000112L243 L248 R249L243-D245 PolarHBondContact O-N 2.85Å; L243-D245 VanDerWaalsContact O-N 3.16Å; D245-L248 PolarHBondContact O-N 3.05Å; D245-R249 PolarHBondContact O-N 3.26Å; D245-R249 IonicContact OD2-NH2 3.36Å; D245-R249 PolarHBondContact OD2-NH2 3.48Å
246Q92.9Very high93.1Very high39 Ų3970.6 Ų70.618%0.18239%0.392CS..Hα-helixtrans-64.5-46176.9-66.2175.9-30.700110.4G202 L243 K244 L248 R249 C250G202-Q246 PolarHBondContact O-NE2 2.8Å; L243-Q246 HydrophobicContact CB-CG 4.18Å; L243-Q246 WeakPolarHBondContact O-CB 3.43Å; L243-Q246 PolarHBondContact O-N 2.98Å; K244-Q246 VanDerWaalsContact C-N 3.33Å; K244-Q246 PolarHBondContact O-N 2.8Å; Q246-L248 VanDerWaalsContact C-N 3.32Å; Q246-L248 PolarHBondContact O-N 2.93Å; Q246-R249 WeakPolarHBondContact O-CB 3.41Å; Q246-R249 PolarHBondContact O-N 3.42Å; Q246-R249 VanDerWaalsContact O-N 3.09Å; Q246-C250 PolarHBondContact O-N 3.07Å; Q246-C250 PolarHBondContact O-SG 2.81Å
247V94.8Very high93.2Very high43 Ų4368.8 Ų68.826%0.26138%0.376SS..Hα-helixtrans-60.9-41178-178.70000111.6L221 L242 L243 K244 R249 C250 S251L221-V247 HydrophobicContact CD2-CG2 4.45Å; L242-V247 HydrophobicContact CB-CG2 4.3Å; L242-V247 HydrophobicContact CD1-CG2 4.47Å; L243-V247 PolarHBondContact O-N 2.87Å; K244-V247 PolarHBondContact O-N 2.85Å; V247-R249 VanDerWaalsContact C-N 3.32Å; V247-R249 PolarHBondContact O-N 3.45Å; V247-C250 WeakPolarHBondContact O-CB 3.32Å; V247-C250 PolarHBondContact O-N 3.42Å; V247-S251 PolarHBondContact O-N 3.14Å
248L95.5Very high93.5Very high107 Ų10767.8 Ų67.856%0.5637%0.37SS*.Hα-helixtrans-63.8-37.8175.3-70.4175.4000112.2K244 D245 Q246 S251 K252K244-L248 WeakPolarHBondContact O-CG 3.28Å; K244-L248 PolarHBondContact O-N 3.35Å; K244-L248 VanDerWaalsContact O-N 3.12Å; D245-L248 PolarHBondContact O-N 3.05Å; Q246-L248 VanDerWaalsContact C-N 3.32Å; Q246-L248 PolarHBondContact O-N 2.93Å; L248-S251 PolarHBondContact O-N 3.17Å; L248-K252 WeakPolarHBondContact O-CG 3.32Å; L248-K252 PolarHBondContact O-N 2.96Å
249R94.8Very high94Very high130 Ų13066.9 Ų66.949%0.49136%0.356SS..Hα-helixtrans-64.6-45.8173.6-168.5-177.2-54.9167.96.3111.4D245 Q246 V247 S251 K252 I253D245-R249 PolarHBondContact O-N 3.26Å; D245-R249 IonicContact OD2-NH2 3.36Å; D245-R249 PolarHBondContact OD2-NH2 3.48Å; Q246-R249 WeakPolarHBondContact O-CB 3.41Å; Q246-R249 PolarHBondContact O-N 3.42Å; Q246-R249 VanDerWaalsContact O-N 3.09Å; V247-R249 VanDerWaalsContact C-N 3.32Å; V247-R249 PolarHBondContact O-N 3.45Å; R249-S251 VanDerWaalsContact C-N 3.31Å; R249-S251 PolarHBondContact O-N 3.02Å; R249-K252 PolarHBondContact O-N 3.13Å; R249-I253 HydrophobicContact CG-CD1 4.22Å; R249-I253 WeakPolarHBondContact O-CG1 3.43Å; R249-I253 PolarHBondContact O-N 2.95Å; R249-I253 VanDerWaalsContact O-N 3.13Å
250C95.4Very high94.5Very high0 Ų067.3 Ų67.30%034%0.336CS..Hα-helixtrans-57.2-45175.5-57.70000111.2F196 L205 L221 I223 Q246 V247 K252 I253 A254F196-C250 HydrophobicContact CD1-CB 4.38Å; F196-C250 HydrophobicContact CD2-CB 3.96Å; F196-C250 HydrophobicContact CE1-CB 4.2Å; F196-C250 HydrophobicContact CE2-CB 3.79Å; F196-C250 HydrophobicContact CG-CB 4.25Å; F196-C250 HydrophobicContact CZ-CB 3.91Å; F196-C250 WeakPolarHBondContact CZ-O 3.29Å; L205-C250 WeakPolarHBondContact CD1-SG 3.37Å; L221-C250 HydrophobicContact CD2-CB 4.19Å; I223-C250 HydrophobicContact CD1-CB 3.67Å; Q246-C250 PolarHBondContact O-N 3.07Å; Q246-C250 PolarHBondContact O-SG 2.81Å; V247-C250 WeakPolarHBondContact O-CB 3.32Å; V247-C250 PolarHBondContact O-N 3.42Å; C250-K252 VanDerWaalsContact C-N 3.34Å; C250-K252 PolarHBondContact O-N 3.05Å; C250-I253 PolarHBondContact O-N 2.94Å; C250-A254 VanDerWaalsContact O-CB 3.3Å; C250-A254 WeakPolarHBondContact O-CB 3.47Å; C250-A254 PolarHBondContact O-N 3.12Å
251S96.3Very high94.8Very high26 Ų2666.5 Ų66.518%0.18233%0.332CS..Hα-helixtrans-61.2-40.1179.1174.40000112.7M225 V247 L248 R249 A254 G255M225-S251 VanDerWaalsContact SD-O 3.39Å; V247-S251 PolarHBondContact O-N 3.14Å; L248-S251 PolarHBondContact O-N 3.17Å; R249-S251 VanDerWaalsContact C-N 3.31Å; R249-S251 PolarHBondContact O-N 3.02Å; S251-A254 PolarHBondContact O-N 3.26Å; S251-G255 PolarHBondContact O-N 3.4Å
252K95.8Very high95.1Very high165 Ų16558.5 Ų58.572%0.71729%0.292SS*.Hα-helixtrans-63.8-43.9175.6-71.1176.7-177.91790112L248 R249 C250 G255 V256L248-K252 WeakPolarHBondContact O-CG 3.32Å; L248-K252 PolarHBondContact O-N 2.96Å; R249-K252 PolarHBondContact O-N 3.13Å; C250-K252 VanDerWaalsContact C-N 3.34Å; C250-K252 PolarHBondContact O-N 3.05Å; K252-G255 PolarHBondContact O-N 3.48Å; K252-V256 PolarHBondContact O-N 3.11Å
253I95.8Very high95.4Very high28 Ų2859.4 Ų59.414%0.14430%0.298CS..Hα-helixtrans-64.9-44177.7-63166.3000109.9Y30 F196 V207 R249 C250 G255 V256 K257Y30-I253 HydrophobicContact CD1-CD1 4.24Å; Y30-I253 HydrophobicContact CE1-CD1 4.09Å; Y30-I253 HydrophobicContact CE2-CD1 4.37Å; Y30-I253 HydrophobicContact CG-CD1 4.49Å; F196-I253 HydrophobicContact CE1-CB 4.27Å; F196-I253 HydrophobicContact CE1-CG2 4.09Å; F196-I253 HydrophobicContact CZ-CB 4.37Å; F196-I253 HydrophobicContact CZ-CG2 4.42Å; V207-I253 HydrophobicContact CG2-CG2 4.34Å; R249-I253 HydrophobicContact CG-CD1 4.22Å; R249-I253 WeakPolarHBondContact O-CG1 3.43Å; R249-I253 PolarHBondContact O-N 2.95Å; R249-I253 VanDerWaalsContact O-N 3.13Å; C250-I253 PolarHBondContact O-N 2.94Å; I253-G255 VanDerWaalsContact C-N 3.32Å; I253-G255 PolarHBondContact O-N 3.12Å; I253-V256 PolarHBondContact O-N 2.74Å; I253-V256 VanDerWaalsContact O-N 3.14Å; I253-K257 HydrophobicContact CG2-CG 4.44Å; I253-K257 PolarHBondContact O-N 3.35Å; I253-K257 VanDerWaalsContact O-N 3.08Å
254A96.4Very high95.5Very high0 Ų056.5 Ų56.50%028%0.283CS..Hα-helixtrans-57.8-44.4177.600000111.5I194 F196 I223 M225 C250 S251 V256 K257 V258I194-A254 HydrophobicContact CB-CB 4.26Å; I194-A254 VanDerWaalsContact CD1-CA 3.43Å; I194-A254 HydrophobicContact CD1-CB 3.78Å; I194-A254 WeakPolarHBondContact CD1-O 3.47Å; I194-A254 HydrophobicContact CG2-CB 4.23Å; F196-A254 HydrophobicContact CE2-CB 4.06Å; F196-A254 HydrophobicContact CZ-CB 3.93Å; I223-A254 HydrophobicContact CB-CB 4.44Å; I223-A254 HydrophobicContact CG2-CB 4.39Å; M225-A254 HydrophobicContact CG-CB 4.36Å; M225-A254 HydrophobicContact SD-CB 3.62Å; C250-A254 VanDerWaalsContact O-CB 3.3Å; C250-A254 WeakPolarHBondContact O-CB 3.47Å; C250-A254 PolarHBondContact O-N 3.12Å; S251-A254 PolarHBondContact O-N 3.26Å; A254-V256 VanDerWaalsContact C-N 3.27Å; A254-V256 PolarHBondContact O-N 3.06Å; A254-K257 PolarHBondContact O-N 3Å; A254-V258 WeakPolarHBondContact O-CG2 3.42Å; A254-V258 PolarHBondContact O-N 3Å
255G95.9Very high95.6Very high9 Ų948 Ų489%0.09325%0.245CC..Hα-helixtrans-59.6-34.1177.800000114.1S251 K252 I253 A259S251-G255 PolarHBondContact O-N 3.4Å; K252-G255 PolarHBondContact O-N 3.48Å; I253-G255 VanDerWaalsContact C-N 3.32Å; I253-G255 PolarHBondContact O-N 3.12Å; G255-A259 PolarHBondContact O-N 2.7Å
256V96.3Very high95.6Very high78 Ų7847.4 Ų47.447%0.47324%0.24SC..Hα-helixtrans-72.3-46.2175.6178.40000110.6K252 I253 A254 A259 E260K252-V256 PolarHBondContact O-N 3.11Å; I253-V256 PolarHBondContact O-N 2.74Å; I253-V256 VanDerWaalsContact O-N 3.14Å; A254-V256 VanDerWaalsContact C-N 3.27Å; A254-V256 PolarHBondContact O-N 3.06Å; V256-A259 WeakPolarHBondContact O-CB 3.35Å; V256-A259 PolarHBondContact O-N 2.69Å; V256-E260 PolarHBondContact O-N 2.72Å; V256-E260 VanDerWaalsContact O-N 3.16Å
257K95.4Very high95.8Very high26 Ų2652.8 Ų52.811%0.11326%0.262CS..Hα-helixtrans-68.9-37-178-67.5-46.6-170.7-171.50113.4Y30 Y32 I194 I253 A254 A259 E260 I261Y30-K257 WeakPolarHBondContact O-CE 3.47Å; Y32-K257 HydrophobicContact CD2-CB 4.41Å; Y32-K257 HydrophobicContact CD2-CD 4.29Å; Y32-K257 HydrophobicContact CD2-CG 4.22Å; Y32-K257 HydrophobicContact CE2-CB 3.98Å; Y32-K257 HydrophobicContact CE2-CG 4.05Å; I194-K257 HydrophobicContact CD1-CB 3.61Å; I253-K257 HydrophobicContact CG2-CG 4.44Å; I253-K257 PolarHBondContact O-N 3.35Å; I253-K257 VanDerWaalsContact O-N 3.08Å; A254-K257 PolarHBondContact O-N 3Å; K257-A259 VanDerWaalsContact C-N 3.28Å; K257-A259 PolarHBondContact O-N 2.89Å; K257-E260 VanDerWaalsContact CD-OE2 3.24Å; K257-E260 WeakPolarHBondContact CD-OE2 3.34Å; K257-E260 IonicContact NZ-OE1 3.9Å; K257-E260 PolarHBondContact NZ-OE1 2.75Å; K257-E260 IonicContact NZ-OE2 2.72Å; K257-E260 PolarHBondContact NZ-OE2 3.1Å; K257-E260 PolarHBondContact O-N 3.21Å; K257-I261 VanDerWaalsContact O-CG1 3.26Å; K257-I261 WeakPolarHBondContact O-CG1 3.42Å; K257-I261 PolarHBondContact O-N 2.76Å
258V96.4Very high95.7Very high0 Ų051.7 Ų51.70%026%0.258CS..Hα-helixtrans-60.8-40.3172.61690000110.7I192 I194 M225 A254 I261 T262I192-V258 HydrophobicContact CB-CG1 4.34Å; I192-V258 HydrophobicContact CB-CG2 4.12Å; I192-V258 HydrophobicContact CD1-CG1 4.33Å; I194-V258 HydrophobicContact CD1-CB 4.37Å; I194-V258 HydrophobicContact CD1-CG2 3.37Å; I194-V258 HydrophobicContact CG1-CG2 3.99Å; M225-V258 HydrophobicContact CB-CG2 3.87Å; M225-V258 WeakPolarHBondContact O-CG1 3.39Å; A254-V258 WeakPolarHBondContact O-CG2 3.42Å; A254-V258 PolarHBondContact O-N 3Å; V258-I261 PolarHBondContact O-N 2.92Å; V258-T262 VanDerWaalsContact O-CB 3.3Å; V258-T262 WeakPolarHBondContact O-CB 3.34Å; V258-T262 PolarHBondContact O-N 3.26Å; V258-T262 PolarHBondContact O-OG1 3.34Å
259A95.9Very high95.6Very high35 Ų3547.7 Ų47.729%0.28924%0.237SC..Hα-helixtrans-62.7-47.4177.800000111.6G255 V256 K257 I261 T262 D263G255-A259 PolarHBondContact O-N 2.7Å; V256-A259 WeakPolarHBondContact O-CB 3.35Å; V256-A259 PolarHBondContact O-N 2.69Å; K257-A259 VanDerWaalsContact C-N 3.28Å; K257-A259 PolarHBondContact O-N 2.89Å; A259-I261 PolarHBondContact O-N 3.19Å; A259-T262 PolarHBondContact O-N 3.04Å; A259-D263 PolarHBondContact O-N 2.74Å
260E95.3Very high95.6Very high94 Ų9446.4 Ų46.444%0.43924%0.237SC..Hα-helixtrans-56.9-47.4176.2-69.2172.5-165.700112.1V256 K257 D263 L264V256-E260 PolarHBondContact O-N 2.72Å; V256-E260 VanDerWaalsContact O-N 3.16Å; K257-E260 VanDerWaalsContact CD-OE2 3.24Å; K257-E260 WeakPolarHBondContact CD-OE2 3.34Å; K257-E260 IonicContact NZ-OE1 3.9Å; K257-E260 PolarHBondContact NZ-OE1 2.75Å; K257-E260 IonicContact NZ-OE2 2.72Å; K257-E260 PolarHBondContact NZ-OE2 3.1Å; K257-E260 PolarHBondContact O-N 3.21Å; E260-D263 PolarHBondContact O-N 3.13Å; E260-L264 PolarHBondContact O-N 3.48Å; E260-L264 VanDerWaalsContact O-N 3.12Å
261I96.2Very high95.5Very high7 Ų751.3 Ų51.34%0.03626%0.263CS..Hα-helixtrans-69.6-39.7-178.5-60.5167000110.8Y32 I35 I151 I192 K257 V258 A259 D263 L264 I265Y32-I261 HydrophobicContact CE2-CD1 4.28Å; I35-I261 HydrophobicContact CD1-CD1 4.22Å; I35-I261 HydrophobicContact CD1-CG1 3.95Å; I35-I261 HydrophobicContact CD1-CG2 4.42Å; I151-I261 HydrophobicContact CD1-CD1 4.44Å; I151-I261 HydrophobicContact CD1-CG2 3.84Å; I151-I261 HydrophobicContact CG1-CG2 3.98Å; I192-I261 HydrophobicContact CD1-CB 4.02Å; I192-I261 HydrophobicContact CD1-CG2 3.74Å; I192-I261 HydrophobicContact CG2-CD1 4.31Å; I192-I261 HydrophobicContact CG2-CG2 4.4Å; K257-I261 VanDerWaalsContact O-CG1 3.26Å; K257-I261 WeakPolarHBondContact O-CG1 3.42Å; K257-I261 PolarHBondContact O-N 2.76Å; V258-I261 PolarHBondContact O-N 2.92Å; A259-I261 PolarHBondContact O-N 3.19Å; I261-D263 VanDerWaalsContact C-N 3.32Å; I261-D263 PolarHBondContact O-N 2.86Å; I261-L264 WeakPolarHBondContact O-CB 3.41Å; I261-L264 PolarHBondContact O-N 3.18Å; I261-L264 VanDerWaalsContact O-N 3.16Å; I261-I265 HydrophobicContact CG2-CD1 4.12Å; I261-I265 HydrophobicContact CG2-CG1 4.47Å; I261-I265 WeakPolarHBondContact O-CG1 3.49Å; I261-I265 PolarHBondContact O-N 3.43Å
262T96Very high95.3Very high1 Ų150.9 Ų50.91%0.00626%0.259CS..Hα-helixtrans-62.5-41.9178.3-53.80000111M190 I192 K227 V258 A259 L264 I265 Q266M190-T262 HydrophobicContact SD-CG2 3.98Å; I192-T262 WeakPolarHBondContact CD1-OG1 3.06Å; K227-T262 HydrophobicContact CB-CG2 4.41Å; K227-T262 HydrophobicContact CD-CG2 3.98Å; V258-T262 VanDerWaalsContact O-CB 3.3Å; V258-T262 WeakPolarHBondContact O-CB 3.34Å; V258-T262 PolarHBondContact O-N 3.26Å; V258-T262 PolarHBondContact O-OG1 3.34Å; A259-T262 PolarHBondContact O-N 3.04Å; T262-L264 VanDerWaalsContact C-N 3.29Å; T262-L264 PolarHBondContact O-N 3.45Å; T262-I265 PolarHBondContact O-N 3.31Å; T262-Q266 WeakPolarHBondContact O-CG 3.32Å; T262-Q266 PolarHBondContact O-N 3.2Å
263D95.9Very high95Very high68 Ų6847.5 Ų47.536%0.36425%0.245SC..Hα-helixtrans-67-32.8177.2-68.4-14.1000111.5K227 A259 E260 I261 K267K227-D263 IonicContact NZ-OD1 3.05Å; K227-D263 PolarHBondContact NZ-OD1 2.89Å; A259-D263 PolarHBondContact O-N 2.74Å; E260-D263 PolarHBondContact O-N 3.13Å; I261-D263 VanDerWaalsContact C-N 3.32Å; I261-D263 PolarHBondContact O-N 2.86Å; D263-K267 WeakPolarHBondContact O-CB 3.41Å; D263-K267 VanDerWaalsContact O-CG 3.27Å; D263-K267 WeakPolarHBondContact O-CG 3.34Å; D263-K267 PolarHBondContact O-N 3.16Å
264L96.1Very high94.8Very high60 Ų6050.9 Ų50.931%0.31426%0.259SS..Hα-helixtrans-64.7-45.9172-169.7161000111.3I35 I37 E260 I261 T262 Q266 K267 A268I35-L264 HydrophobicContact CB-CD1 4.22Å; I37-L264 HydrophobicContact CD1-CD2 3.43Å; I37-L264 VanDerWaalsContact CD1-CD2 3.43Å; I37-L264 HydrophobicContact CG1-CD2 4.02Å; E260-L264 PolarHBondContact O-N 3.48Å; E260-L264 VanDerWaalsContact O-N 3.12Å; I261-L264 WeakPolarHBondContact O-CB 3.41Å; I261-L264 PolarHBondContact O-N 3.18Å; I261-L264 VanDerWaalsContact O-N 3.16Å; T262-L264 VanDerWaalsContact C-N 3.29Å; T262-L264 PolarHBondContact O-N 3.45Å; L264-Q266 PolarHBondContact O-N 3.19Å; L264-K267 PolarHBondContact O-N 3.03Å; L264-A268 WeakPolarHBondContact O-CB 3.25Å; L264-A268 PolarHBondContact O-N 3.4Å
265I95.8Very high94.5Very high0 Ų052.9 Ų52.90%027%0.271CS..Hα-helixtrans-59.8-46.6176.8-66.9168000110.6I37 I151 I154 V155 I192 I261 T262 K267 A268 L269I37-I265 HydrophobicContact CD1-CG1 3.92Å; I151-I265 HydrophobicContact CG2-CD1 4.24Å; I151-I265 HydrophobicContact CG2-CG1 4.47Å; I154-I265 HydrophobicContact CG2-CD1 4.38Å; V155-I265 HydrophobicContact CG2-CD1 4.15Å; V155-I265 HydrophobicContact CG2-CG1 3.85Å; V155-I265 HydrophobicContact CG2-CG2 3.98Å; I192-I265 HydrophobicContact CD1-CD1 3.9Å; I261-I265 HydrophobicContact CG2-CD1 4.12Å; I261-I265 HydrophobicContact CG2-CG1 4.47Å; I261-I265 WeakPolarHBondContact O-CG1 3.49Å; I261-I265 PolarHBondContact O-N 3.43Å; T262-I265 PolarHBondContact O-N 3.31Å; I265-K267 PolarHBondContact O-N 2.82Å; I265-A268 PolarHBondContact O-N 2.99Å; I265-L269 HydrophobicContact CG2-CD1 3.83Å; I265-L269 HydrophobicContact CG2-CG 4.36Å; I265-L269 WeakPolarHBondContact O-CG 3.11Å; I265-L269 PolarHBondContact O-N 2.87Å
266Q95.3Very high94.1Very high80 Ų8054.2 Ų54.237%0.37427%0.273SS..Hα-helixtrans-60.7-45.2178.5-72.4-179.5-11.800111.8K227 T262 L264 A268 L269 E270K227-Q266 VanDerWaalsContact NZ-OE1 3.1Å; T262-Q266 WeakPolarHBondContact O-CG 3.32Å; T262-Q266 PolarHBondContact O-N 3.2Å; L264-Q266 PolarHBondContact O-N 3.19Å; Q266-A268 VanDerWaalsContact C-N 3.34Å; Q266-A268 PolarHBondContact O-N 3.11Å; Q266-L269 PolarHBondContact O-N 3.42Å; Q266-E270 WeakPolarHBondContact O-CB 3.39Å; Q266-E270 PolarHBondContact O-N 3.34Å
267K96Very high93.8Very high151 Ų15158.8 Ų58.866%0.65729%0.287SS*.Hα-helixtrans-61.8-40.5175.3-75173-178.4176.60112.5D263 L264 I265 N271D263-K267 WeakPolarHBondContact O-CB 3.41Å; D263-K267 VanDerWaalsContact O-CG 3.27Å; D263-K267 WeakPolarHBondContact O-CG 3.34Å; D263-K267 PolarHBondContact O-N 3.16Å; L264-K267 PolarHBondContact O-N 3.03Å; I265-K267 PolarHBondContact O-N 2.82Å; K267-N271 WeakPolarHBondContact O-CB 3.15Å; K267-N271 PolarHBondContact O-N 3.4Å
268A93.9Very high93.6Very high20 Ų2065 Ų6517%0.16532%0.317CS..Hα-helixtrans-64.9-45.8178.300000111.5I37 F39 L264 I265 Q266 N271 D272I37-A268 HydrophobicContact CB-CB 4.31Å; I37-A268 HydrophobicContact CD1-CB 4.24Å; I37-A268 HydrophobicContact CG2-CB 4.45Å; F39-A268 HydrophobicContact CE2-CB 4.06Å; F39-A268 WeakPolarHBondContact CE2-O 3.27Å; F39-A268 HydrophobicContact CZ-CB 4.25Å; L264-A268 WeakPolarHBondContact O-CB 3.25Å; L264-A268 PolarHBondContact O-N 3.4Å; I265-A268 PolarHBondContact O-N 2.99Å; Q266-A268 VanDerWaalsContact C-N 3.34Å; Q266-A268 PolarHBondContact O-N 3.11Å; A268-N271 PolarHBondContact O-N 3.02Å; A268-D272 PolarHBondContact O-N 3.14Å
269L93.6Very high92.9Very high24 Ų2468.1 Ų68.113%0.12635%0.348CS..Hα-helixtrans-63.5-41.4177-69.7168.1000112.2F39 C158 H159 I265 Q266 D272 Q273F39-L269 HydrophobicContact CE1-CD2 3.86Å; F39-L269 HydrophobicContact CZ-CD2 3.76Å; F39-L269 HydrophobicContact CZ-CG 4.29Å; C158-L269 HydrophobicContact CB-CD1 3.53Å; C158-L269 HydrophobicContact CB-CD2 4.11Å; C158-L269 HydrophobicContact CB-CG 4.48Å; H159-L269 HydrophobicContact CB-CD2 4.15Å; I265-L269 HydrophobicContact CG2-CD1 3.83Å; I265-L269 HydrophobicContact CG2-CG 4.36Å; I265-L269 WeakPolarHBondContact O-CG 3.11Å; I265-L269 PolarHBondContact O-N 2.87Å; Q266-L269 PolarHBondContact O-N 3.42Å; L269-D272 PolarHBondContact O-N 3.42Å; L269-Q273 WeakPolarHBondContact O-CG 3.46Å; L269-Q273 PolarHBondContact O-N 2.84Å
270E94.6Very high91.8Very high103 Ų10367.8 Ų67.848%0.48135%0.348SS..Hα-helixtrans-67-38.9177.8-166.7-175.7159.200111.7Q266 Q273 K274Q266-E270 WeakPolarHBondContact O-CB 3.39Å; Q266-E270 PolarHBondContact O-N 3.34Å; E270-Q273 PolarHBondContact O-N 3.46Å; E270-K274 WeakPolarHBondContact O-CG 3.41Å; E270-K274 PolarHBondContact O-N 2.95Å; E270-K274 VanDerWaalsContact OE1-CE 3.26Å; E270-K274 WeakPolarHBondContact OE1-CE 3.29Å; E270-K274 IonicContact OE1-NZ 3.8Å; E270-K274 PolarHBondContact OE1-NZ 3.24Å
271N92.6Very high90.6Very high103 Ų10370.2 Ų70.255%0.55136%0.357SS*.Hα-helixtrans-63.5-46175-170.126.8000111.4K267 A268 Q273 K274 V275K267-N271 WeakPolarHBondContact O-CB 3.15Å; K267-N271 PolarHBondContact O-N 3.4Å; A268-N271 PolarHBondContact O-N 3.02Å; N271-Q273 VanDerWaalsContact C-N 3.35Å; N271-Q273 PolarHBondContact O-N 3.47Å; N271-K274 PolarHBondContact O-N 3.43Å; N271-K274 VanDerWaalsContact O-N 3.16Å; N271-V275 WeakPolarHBondContact O-CG2 3.45Å; N271-V275 PolarHBondContact O-N 3.35Å
272D91.3Very high89.5Confident17 Ų1774.1 Ų74.19%0.09137%0.374CS..Hα-helixtrans-60.5-43.4177-174.575000112F39 H159 A268 L269 K274 V275 R276F39-D272 HydrophobicContact CD2-CB 3.61Å; F39-D272 HydrophobicContact CE2-CB 3.75Å; F39-D272 HydrophobicContact CG-CB 4.27Å; H159-D272 IonicContact CD2-OD2 2.83Å; H159-D272 IonicContact NE2-OD2 3.17Å; H159-D272 PolarHBondContact NE2-OD2 3.15Å; A268-D272 PolarHBondContact O-N 3.14Å; L269-D272 PolarHBondContact O-N 3.42Å; D272-K274 VanDerWaalsContact C-N 3.31Å; D272-K274 PolarHBondContact O-N 2.99Å; D272-V275 PolarHBondContact O-N 2.9Å; D272-R276 WeakPolarHBondContact O-CG 3.44Å; D272-R276 PolarHBondContact O-N 2.92Å; D272-R276 IonicContact OD1-NE 2.86Å; D272-R276 IonicContact OD2-CZ 3.16Å; D272-R276 IonicContact OD2-NE 2.71Å; D272-R276 PolarHBondContact OD2-NE 3.33Å; D272-R276 IonicContact OD2-NH2 3.91Å
273Q90.5Very high88.3Confident93 Ų9374.7 Ų74.744%0.43538%0.38SS..Hα-helixtrans-61.8-36.6175.2-74.1-179.19.800113.1L269 E270 N271 K277L269-Q273 WeakPolarHBondContact O-CG 3.46Å; L269-Q273 PolarHBondContact O-N 2.84Å; E270-Q273 PolarHBondContact O-N 3.46Å; N271-Q273 VanDerWaalsContact C-N 3.35Å; N271-Q273 PolarHBondContact O-N 3.47Å; Q273-K277 WeakPolarHBondContact O-CB 3.35Å; Q273-K277 VanDerWaalsContact O-CG 3.24Å; Q273-K277 WeakPolarHBondContact O-CG 3.48Å; Q273-K277 PolarHBondContact O-N 3Å; Q273-K277 VanDerWaalsContact O-N 3.12Å
274K91.9Very high87.2Confident100 Ų10075.7 Ų75.744%0.43538%0.382SS..Hα-helixtrans-67.4-48.5175.9-74170.8-175.7167.20111.1E270 N271 D272 R276 K277 E278E270-K274 WeakPolarHBondContact O-CG 3.41Å; E270-K274 PolarHBondContact O-N 2.95Å; E270-K274 VanDerWaalsContact OE1-CE 3.26Å; E270-K274 WeakPolarHBondContact OE1-CE 3.29Å; E270-K274 IonicContact OE1-NZ 3.8Å; E270-K274 PolarHBondContact OE1-NZ 3.24Å; N271-K274 PolarHBondContact O-N 3.43Å; N271-K274 VanDerWaalsContact O-N 3.16Å; D272-K274 VanDerWaalsContact C-N 3.31Å; D272-K274 PolarHBondContact O-N 2.99Å; K274-R276 VanDerWaalsContact C-N 3.31Å; K274-R276 PolarHBondContact O-N 3.38Å; K274-K277 PolarHBondContact O-N 2.79Å; K274-K277 VanDerWaalsContact O-N 3.12Å; K274-E278 WeakPolarHBondContact O-CG 3.47Å; K274-E278 PolarHBondContact O-N 3.27Å
275V90.2Very high85.5Confident42 Ų4276.2 Ų76.226%0.25540%0.395SS..Hα-helixtrans-58.5-43.4178.3174.40000111.3N271 D272 E278 G279 G280 F282N271-V275 WeakPolarHBondContact O-CG2 3.45Å; N271-V275 PolarHBondContact O-N 3.35Å; D272-V275 PolarHBondContact O-N 2.9Å; V275-E278 PolarHBondContact O-N 3.28Å; V275-G279 PolarHBondContact O-N 2.95Å; V275-G280 PolarHBondContact O-N 3.15Å; V275-F282 HydrophobicContact CG1-CB 4.5Å
276R87.6Confident84.1Confident36 Ų3678.9 Ų78.914%0.13641%0.407CS..Hα-helixtrans-65.3-38176.8-70.5-178-170.4-108.9-11.7112.7G40 T41 H159 D272 K274 G279 F282G40-R276 PolarHBondContact O-NH2 3.34Å; T41-R276 PolarHBondContact O-NH1 3.22Å; H159-R276 PolarHBondContact CE1-NH2 3.41Å; H159-R276 PolarHBondContact NE2-NH2 3.16Å; D272-R276 WeakPolarHBondContact O-CG 3.44Å; D272-R276 PolarHBondContact O-N 2.92Å; D272-R276 IonicContact OD1-NE 2.86Å; D272-R276 IonicContact OD2-CZ 3.16Å; D272-R276 IonicContact OD2-NE 2.71Å; D272-R276 PolarHBondContact OD2-NE 3.33Å; D272-R276 IonicContact OD2-NH2 3.91Å; K274-R276 VanDerWaalsContact C-N 3.31Å; K274-R276 PolarHBondContact O-N 3.38Å; R276-G279 PolarHBondContact O-N 3.12Å; R276-F282 HydrophobicContact CG-CD1 4.12Å; R276-F282 HydrophobicContact CG-CE1 4.42Å
277K88.6Confident82.9Confident174 Ų17477.3 Ų77.376%0.75741%0.405SS*.Hα-helixtrans-68.6-35.1176.7-76.9174.6-179-178.90112.9Q273 K274 G279Q273-K277 WeakPolarHBondContact O-CB 3.35Å; Q273-K277 VanDerWaalsContact O-CG 3.24Å; Q273-K277 WeakPolarHBondContact O-CG 3.48Å; Q273-K277 PolarHBondContact O-N 3Å; Q273-K277 VanDerWaalsContact O-N 3.12Å; K274-K277 PolarHBondContact O-N 2.79Å; K274-K277 VanDerWaalsContact O-N 3.12Å; K277-G279 PolarHBondContact O-N 3.36Å
278E90.9Very high81.5Confident158 Ų15871.4 Ų71.474%0.73838%0.381SS*.THydrogen-bonded Turntrans-78.5-4.1178.1-69170.3-169.700112.6K274 V275 G280K274-E278 WeakPolarHBondContact O-CG 3.47Å; K274-E278 PolarHBondContact O-N 3.27Å; V275-E278 PolarHBondContact O-N 3.28Å; E278-G280 PolarHBondContact O-N 3.48Å
279G81.6Confident79.8Confident65 Ų6571.4 Ų71.467%0.6738%0.381SS*.THydrogen-bonded Turntrans6922.2-176.200000113.1V275 R276 K277V275-G279 PolarHBondContact O-N 2.95Å; R276-G279 PolarHBondContact O-N 3.12Å; K277-G279 PolarHBondContact O-N 3.36Å
280G74.9Confident78.3Confident28 Ų2875.4 Ų75.429%0.28940%0.402SS..  trans-66.6155.7179.600000112.2V275 E278 F282V275-G280 PolarHBondContact O-N 3.15Å; E278-G280 PolarHBondContact O-N 3.48Å; G280-F282 WeakPolarHBondContact O-CD1 3.36Å; G280-F282 PolarHBondContact O-N 2.73Å
281K69.4Low76.9Confident144 Ų14477 Ų7763%0.62641%0.409SS*.  trans-64.7120.4173.3-61.1-172-179.6-163.70109.1E286 E299K281-E286 HydrophobicContact CB-CG 4.21Å; K281-E299 IonicContact NZ-OE1 3.05Å; K281-E299 PolarHBondContact NZ-OE1 3.19Å
282F73.3Confident75.6Confident89 Ų8976.1 Ų76.139%0.3940%0.398SS..  trans-119.6153.8177.550-97.8000111.1V275 R276 G280V275-F282 HydrophobicContact CG1-CB 4.5Å; R276-F282 HydrophobicContact CG-CD1 4.12Å; R276-F282 HydrophobicContact CG-CE1 4.42Å; G280-F282 WeakPolarHBondContact O-CD1 3.36Å; G280-F282 PolarHBondContact O-N 2.73Å
283G70.1Confident75Confident13 Ų1384.1 Ų84.113%0.13444%0.439CS..SBendtrans125.7167.5177.800000114.4A285 E286 S287G283-A285 VanDerWaalsContact C-N 3.31Å; G283-A285 PolarHBondContact O-N 3.35Å; G283-E286 PolarHBondContact O-N 2.98Å; G283-S287 PolarHBondContact O-N 3.49Å
284F72.4Confident74.3Confident89 Ų8985.9 Ų85.939%0.3946%0.457SS..Hα-helixtrans-58.8-40.8-173.3-174.9-114.7000113.3I47 E286 S287 I288I47-F284 HydrophobicContact CB-CE2 4.48Å; I47-F284 HydrophobicContact CD1-CD2 3.39Å; I47-F284 HydrophobicContact CD1-CE2 3.31Å; I47-F284 HydrophobicContact CD1-CG 4.08Å; I47-F284 HydrophobicContact CD1-CZ 3.96Å; I47-F284 HydrophobicContact CG1-CE2 4.46Å; I47-F284 HydrophobicContact CG2-CE2 4.29Å; F284-E286 VanDerWaalsContact C-N 3.29Å; F284-E286 PolarHBondContact O-N 3.19Å; F284-S287 PolarHBondContact O-N 3.5Å; F284-S287 PolarHBondContact O-OG 3.08Å; F284-I288 HydrophobicContact CD1-CD1 3.91Å; F284-I288 HydrophobicContact CD2-CD1 3.74Å; F284-I288 HydrophobicContact CD2-CG1 4.47Å; F284-I288 HydrophobicContact CE1-CD1 3.35Å; F284-I288 HydrophobicContact CE2-CD1 3.17Å; F284-I288 HydrophobicContact CE2-CG1 4.23Å; F284-I288 HydrophobicContact CG-CD1 4.12Å; F284-I288 HydrophobicContact CZ-CD1 2.97Å; F284-I288 HydrophobicContact CZ-CG1 4.35Å; F284-I288 PolarHBondContact O-N 2.69Å
285A61.1Low73.5Confident72 Ų7282.7 Ų82.760%0.59545%0.449SS*.Hα-helixtrans-59.4-39.5-17900000112.2G283 A289G283-A285 VanDerWaalsContact C-N 3.31Å; G283-A285 PolarHBondContact O-N 3.35Å; A285-A289 WeakPolarHBondContact O-CB 3.28Å; A285-A289 PolarHBondContact O-N 3.5Å
286E67.2Low73Confident55 Ų5589 Ų8926%0.25747%0.473SS..Hα-helixtrans-71.1-37.8179.9-165.157.8-140.300111.5K281 G283 F284 I288 N290 K297K281-E286 HydrophobicContact CB-CG 4.21Å; G283-E286 PolarHBondContact O-N 2.98Å; F284-E286 VanDerWaalsContact C-N 3.29Å; F284-E286 PolarHBondContact O-N 3.19Å; E286-I288 PolarHBondContact O-N 3.42Å; E286-N290 PolarHBondContact O-ND2 2.95Å; E286-N290 PolarHBondContact OE1-ND2 3.14Å; E286-K297 IonicContact OE1-NZ 3.56Å; E286-K297 PolarHBondContact OE1-NZ 3.47Å; E286-K297 IonicContact OE2-NZ 3.73Å; E286-K297 PolarHBondContact OE2-NZ 3.05Å
287S68.5Low72.5Confident47 Ų4791.8 Ų91.833%0.32949%0.486SS..Hα-helixtrans-69.4-29.4-179.573.50000114G283 F284G283-S287 PolarHBondContact O-N 3.49Å; F284-S287 PolarHBondContact O-N 3.5Å; F284-S287 PolarHBondContact O-OG 3.08Å
288I68.3Low72.1Confident28 Ų2889.2 Ų89.214%0.14448%0.478CS..Hα-helixtrans-98.5-37.8-175.3-72.2178.6000113F284 E286 N290 Q291 A295F284-I288 HydrophobicContact CD1-CD1 3.91Å; F284-I288 HydrophobicContact CD2-CD1 3.74Å; F284-I288 HydrophobicContact CD2-CG1 4.47Å; F284-I288 HydrophobicContact CE1-CD1 3.35Å; F284-I288 HydrophobicContact CE2-CD1 3.17Å; F284-I288 HydrophobicContact CE2-CG1 4.23Å; F284-I288 HydrophobicContact CG-CD1 4.12Å; F284-I288 HydrophobicContact CZ-CD1 2.97Å; F284-I288 HydrophobicContact CZ-CG1 4.35Å; F284-I288 PolarHBondContact O-N 2.69Å; E286-I288 PolarHBondContact O-N 3.42Å; I288-N290 PolarHBondContact O-N 3.47Å; I288-N290 VanDerWaalsContact O-N 3.15Å; I288-Q291 PolarHBondContact O-N 3.37Å; I288-A295 HydrophobicContact CG2-CB 4.2Å
289A58.1Low71.5Confident20 Ų2089.5 Ų89.517%0.16548%0.48CS..Hα-helixtrans-61.4-26.8-17300000113.1A285 Q291 K297A285-A289 WeakPolarHBondContact O-CB 3.28Å; A285-A289 PolarHBondContact O-N 3.5Å; A289-Q291 PolarHBondContact O-N 2.82Å; A289-K297 HydrophobicContact CB-CB 4.26Å; A289-K297 HydrophobicContact CB-CD 3.64Å; A289-K297 HydrophobicContact CB-CG 3.94Å
290N62.3Low71.3Confident108 Ų10894.9 Ų94.958%0.57849%0.485SS*.THydrogen-bonded Turntrans-83-9.3-174.2-63.4-14000113.8E286 I288 K297E286-N290 PolarHBondContact O-ND2 2.95Å; E286-N290 PolarHBondContact OE1-ND2 3.14Å; I288-N290 PolarHBondContact O-N 3.47Å; I288-N290 VanDerWaalsContact O-N 3.15Å; N290-K297 PolarHBondContact OD1-NZ 2.8Å
291Q64Low71.6Confident136 Ų13697.8 Ų97.864%0.63651%0.506SS*.THydrogen-bonded Turntrans-121.9-14.9-170.7-65.3-175.17.300115.4I288 A289I288-Q291 PolarHBondContact O-N 3.37Å; A289-Q291 PolarHBondContact O-N 2.82Å
292R66.2Low72Confident85 Ų8596.4 Ų96.432%0.32152%0.515SS..  trans-118.8129.1-172.3-64.8-171.3-175.6149.712.2112.1E49 T294 A295E49-R292 IonicContact OE1-NH2 2.8Å; R292-T294 PolarHBondContact O-N 3.38Å; R292-T294 VanDerWaalsContact O-N 3.14Å; R292-A295 HydrophobicContact CB-CB 4.37Å; R292-A295 PolarHBondContact O-N 3.09Å; R292-A295 VanDerWaalsContact O-N 3.07Å
293I77.2Confident72.3Confident184 Ų18497.3 Ų97.394%0.94453%0.527SS*.THydrogen-bonded Turntrans-57-28.2171.9-56.3168.1000111.2A295I293-A295 VanDerWaalsContact C-N 3.29Å; I293-A295 PolarHBondContact O-N 3.27Å
294T77.4Confident72.4Confident131 Ų131102.5 Ų102.580%0.80455%0.552SS**THydrogen-bonded Turntrans-80-4.6-178.861.50000114.3R292R292-T294 PolarHBondContact O-N 3.38Å; R292-T294 VanDerWaalsContact O-N 3.14Å
295A74.7Confident72.4Confident33 Ų33101.7 Ų101.727%0.27355%0.554SS.*  trans-121.7126.6-177.600000109.8I288 R292 I293I288-A295 HydrophobicContact CG2-CB 4.2Å; R292-A295 HydrophobicContact CB-CB 4.37Å; R292-A295 PolarHBondContact O-N 3.09Å; R292-A295 VanDerWaalsContact O-N 3.07Å; I293-A295 VanDerWaalsContact C-N 3.29Å; I293-A295 PolarHBondContact O-N 3.27Å
296F78.6Confident72.9Confident174 Ų174101.2 Ų101.276%0.76355%0.547SS*.  trans-128.2131.8174.5-177.4-109.6000108.9M298F296-M298 HydrophobicContact CD1-CB 4.29Å; F296-M298 HydrophobicContact CE1-CB 3.51Å; F296-M298 HydrophobicContact CE1-CE 4.38Å; F296-M298 HydrophobicContact CE1-CG 4.33Å; F296-M298 HydrophobicContact CE1-SD 4.04Å; F296-M298 HydrophobicContact CZ-CB 3.93Å; F296-M298 HydrophobicContact CZ-SD 4.2Å
297K77Confident72.9Confident94 Ų94103 Ų10341%0.40956%0.558SS.*  trans-116.4134.4172.270179.2-177.9-161.90108.4E286 A289 N290E286-K297 IonicContact OE1-NZ 3.56Å; E286-K297 PolarHBondContact OE1-NZ 3.47Å; E286-K297 IonicContact OE2-NZ 3.73Å; E286-K297 PolarHBondContact OE2-NZ 3.05Å; A289-K297 HydrophobicContact CB-CB 4.26Å; A289-K297 HydrophobicContact CB-CD 3.64Å; A289-K297 HydrophobicContact CB-CG 3.94Å; N290-K297 PolarHBondContact OD1-NZ 2.8Å
298M80.9Confident72.8Confident120 Ų120105.7 Ų105.759%0.59157%0.568SS**  trans-145.9124.8173.9-178.5171.369.300108.3F296 K300F296-M298 HydrophobicContact CD1-CB 4.29Å; F296-M298 HydrophobicContact CE1-CB 3.51Å; F296-M298 HydrophobicContact CE1-CE 4.38Å; F296-M298 HydrophobicContact CE1-CG 4.33Å; F296-M298 HydrophobicContact CE1-SD 4.04Å; F296-M298 HydrophobicContact CZ-CB 3.93Å; F296-M298 HydrophobicContact CZ-SD 4.2Å; M298-K300 HydrophobicContact CE-CD 4.49Å; M298-K300 HydrophobicContact CE-CG 4.03Å; M298-K300 PolarHBondContact O-N 3.28Å
299E77.6Confident72.7Confident165 Ų165109.8 Ų109.877%0.77159%0.586SS**PPolyproline II helixtrans-74.1117.7168.9-72.8173.9-165.200107.2K281K281-E299 IonicContact NZ-OE1 3.05Å; K281-E299 PolarHBondContact NZ-OE1 3.19Å
300K78.8Confident73.3Confident178 Ų178114.6 Ų114.677%0.77461%0.605SS**PPolyproline II helixtrans-94.9130.9172.3-71.9-173.4177.2-178.20108.3M298M298-K300 HydrophobicContact CE-CD 4.49Å; M298-K300 HydrophobicContact CE-CG 4.03Å; M298-K300 PolarHBondContact O-N 3.28Å
301A80.7Confident73.7Confident89 Ų89115.5 Ų115.574%0.73660%0.604SS**PPolyproline II helixtrans-70.1137168.300000109.4V303A301-V303 PolarHBondContact O-N 3.12Å
302S78Confident73.8Confident115 Ų115111 Ų11180%0.80459%0.59SS**  trans-67.4111.616750.60000107.8
303V78.6Confident74.1Confident107 Ų107113.6 Ų113.665%0.64861%0.606SS**  trans-92.1116.5169.3-179.40000105.8A301 T305A301-V303 PolarHBondContact O-N 3.12Å; V303-T305 PolarHBondContact O-N 3.45Å
304D73.8Confident73.9Confident122 Ų122111.2 Ų111.265%0.65259%0.59SS**  trans-65.3105173.9-69.1-27.3000108.5S306D304-S306 VanDerWaalsContact C-N 3.34Å
305T71.7Confident73.8Confident73 Ų73110.4 Ų110.445%0.44858%0.58SS.*  trans-83.6-8.2-178.955.40000113.5V303 N307 I308 E309V303-T305 PolarHBondContact O-N 3.45Å; T305-N307 PolarHBondContact O-N 3.04Å; T305-I308 WeakPolarHBondContact O-CA 3.13Å; T305-I308 WeakPolarHBondContact O-CB 3.31Å; T305-I308 PolarHBondContact O-N 3.49Å; T305-E309 PolarHBondContact O-N 3.36Å; T305-E309 PolarHBondContact OG1-OE1 2.91Å; T305-E309 VanDerWaalsContact OG1-OE1 3.11Å
306S71.6Confident73.6Confident62 Ų62115 Ų11543%0.43460%0.599SS.*Hα-helixtrans-57.5-44.4-179.247.80000112.9D304 I308 E309 E310D304-S306 VanDerWaalsContact C-N 3.34Å; S306-I308 PolarHBondContact O-N 3.47Å; S306-E309 PolarHBondContact O-N 3.26Å; S306-E310 WeakPolarHBondContact O-CG 3.45Å; S306-E310 PolarHBondContact O-N 2.95Å; S306-E310 VanDerWaalsContact O-N 3.12Å
307N66.8Low73.2Confident92 Ų92110.9 Ų110.949%0.49260%0.597SS.*Hα-helixtrans-68.3-19176.2-73.7-50.6000113.7T305 K311T305-N307 PolarHBondContact O-N 3.04Å; N307-K311 WeakPolarHBondContact O-CB 3.32Å; N307-K311 VanDerWaalsContact O-CD 3.27Å; N307-K311 WeakPolarHBondContact O-CD 3.39Å; N307-K311 WeakPolarHBondContact O-CG 3.42Å
308I67.1Low73Confident104 Ų104114.4 Ų114.453%0.53362%0.615SS.*Hα-helixtrans-89.2-36.9-179.7-59174.1000109.5T305 S306 A312T305-I308 WeakPolarHBondContact O-CA 3.13Å; T305-I308 WeakPolarHBondContact O-CB 3.31Å; T305-I308 PolarHBondContact O-N 3.49Å; S306-I308 PolarHBondContact O-N 3.47Å; I308-A312 WeakPolarHBondContact O-CB 3.48Å; I308-A312 PolarHBondContact O-N 2.94Å
309E66.6Low72.2Confident114 Ų114111.8 Ų111.853%0.53361%0.612SS.*Hα-helixtrans-65-49.1175-71.6164.8-154.700110.9T305 S306 K311 A312 E313T305-E309 PolarHBondContact O-N 3.36Å; T305-E309 PolarHBondContact OG1-OE1 2.91Å; T305-E309 VanDerWaalsContact OG1-OE1 3.11Å; S306-E309 PolarHBondContact O-N 3.26Å; E309-K311 PolarHBondContact O-N 3.37Å; E309-A312 PolarHBondContact O-N 3.32Å; E309-A312 VanDerWaalsContact O-N 3.15Å; E309-E313 WeakPolarHBondContact O-CG 3.35Å; E309-E313 PolarHBondContact O-N 2.95Å
310E69.7Low71.5Confident120 Ų120112.6 Ų112.656%0.56162%0.616SS**Hα-helixtrans-61.8-43.1176.9-69.2175.5-178.800111.9S306 A312 E313 E314S306-E310 WeakPolarHBondContact O-CG 3.45Å; S306-E310 PolarHBondContact O-N 2.95Å; S306-E310 VanDerWaalsContact O-N 3.12Å; E310-A312 VanDerWaalsContact C-N 3.34Å; E310-A312 PolarHBondContact O-N 3.09Å; E310-E313 PolarHBondContact O-N 3.47Å; E310-E314 WeakPolarHBondContact O-CG 3.39Å; E310-E314 PolarHBondContact O-N 3.49Å
311K70Confident70.8Confident127 Ų127109.5 Ų109.555%0.55261%0.614SS**Hα-helixtrans-68.2-32.1175.4-74.5178.7-174.6177.40113N307 E309 I315N307-K311 WeakPolarHBondContact O-CB 3.32Å; N307-K311 VanDerWaalsContact O-CD 3.27Å; N307-K311 WeakPolarHBondContact O-CD 3.39Å; N307-K311 WeakPolarHBondContact O-CG 3.42Å; E309-K311 PolarHBondContact O-N 3.37Å; K311-I315 WeakPolarHBondContact O-CB 3.13Å; K311-I315 VanDerWaalsContact O-CD1 3.27Å; K311-I315 WeakPolarHBondContact O-CD1 3.35Å; K311-I315 WeakPolarHBondContact O-CG1 3.25Å; K311-I315 PolarHBondContact O-N 2.74Å
312A67.9Low69.9Low42 Ų42110.7 Ų110.735%0.34761%0.614SS.*Hα-helixtrans-69.5-40.5176.400000110.7I308 E309 E310 I315 I316I308-A312 WeakPolarHBondContact O-CB 3.48Å; I308-A312 PolarHBondContact O-N 2.94Å; E309-A312 PolarHBondContact O-N 3.32Å; E309-A312 VanDerWaalsContact O-N 3.15Å; E310-A312 VanDerWaalsContact C-N 3.34Å; E310-A312 PolarHBondContact O-N 3.09Å; A312-I315 PolarHBondContact O-N 3.4Å; A312-I316 WeakPolarHBondContact O-CB 3.28Å; A312-I316 WeakPolarHBondContact O-CD1 3.31Å; A312-I316 WeakPolarHBondContact O-CG1 3.34Å; A312-I316 PolarHBondContact O-N 2.86Å
313E71.7Confident68.7Low140 Ų140110.5 Ų110.565%0.65461%0.61SS**Hα-helixtrans-65.7-41.2175.2-70.7-179.2178.900112E309 E310 I316 A317E309-E313 WeakPolarHBondContact O-CG 3.35Å; E309-E313 PolarHBondContact O-N 2.95Å; E310-E313 PolarHBondContact O-N 3.47Å; E313-I316 PolarHBondContact O-N 2.87Å; E313-A317 WeakPolarHBondContact O-CB 3.37Å; E313-A317 PolarHBondContact O-N 2.88Å
314E74.1Confident67.6Low133 Ų133114 Ų11462%0.62162%0.62SS**Hα-helixtrans-62-44.3173.5-74.9179.4169.200112.1E310 I316 A317 E318E310-E314 WeakPolarHBondContact O-CG 3.39Å; E310-E314 PolarHBondContact O-N 3.49Å; E314-I316 VanDerWaalsContact C-N 3.35Å; E314-I316 PolarHBondContact O-N 3.31Å; E314-A317 PolarHBondContact O-N 3.44Å; E314-E318 WeakPolarHBondContact O-CB 3.46Å; E314-E318 PolarHBondContact O-N 3.33Å
315I73.5Confident66.6Low115 Ų115114.2 Ų114.259%0.5963%0.625SS**Hα-helixtrans-67.4-35.4178.4-68.7164.3000111.6K311 A312 E318 A319K311-I315 WeakPolarHBondContact O-CB 3.13Å; K311-I315 VanDerWaalsContact O-CD1 3.27Å; K311-I315 WeakPolarHBondContact O-CD1 3.35Å; K311-I315 WeakPolarHBondContact O-CG1 3.25Å; K311-I315 PolarHBondContact O-N 2.74Å; A312-I315 PolarHBondContact O-N 3.4Å; I315-E318 PolarHBondContact O-N 3.09Å; I315-A319 VanDerWaalsContact O-CB 3.31Å; I315-A319 WeakPolarHBondContact O-CB 3.36Å; I315-A319 PolarHBondContact O-N 2.75Å
316I71.5Confident65.5Low129 Ų129116.1 Ų116.166%0.66264%0.636SS**Hα-helixtrans-69.7-35.6175.8-69.3163.2000110.7A312 E313 E314A312-I316 WeakPolarHBondContact O-CB 3.28Å; A312-I316 WeakPolarHBondContact O-CD1 3.31Å; A312-I316 WeakPolarHBondContact O-CG1 3.34Å; A312-I316 PolarHBondContact O-N 2.86Å; E313-I316 PolarHBondContact O-N 2.87Å; E314-I316 VanDerWaalsContact C-N 3.35Å; E314-I316 PolarHBondContact O-N 3.31Å
317A70.4Confident64.4Low88 Ų88117.9 Ų117.973%0.72765%0.649SS**Hα-helixtrans-73.1-30.6175.800000113.1E313 E314E313-A317 WeakPolarHBondContact O-CB 3.37Å; E313-A317 PolarHBondContact O-N 2.88Å; E314-A317 PolarHBondContact O-N 3.44Å
318E72.3Confident63.4Low167 Ų167122.2 Ų122.278%0.7866%0.663SS**Hα-helixtrans-86.4-13.8179.2-157.1170.6-15800113E314 I315 E320E314-E318 WeakPolarHBondContact O-CB 3.46Å; E314-E318 PolarHBondContact O-N 3.33Å; I315-E318 PolarHBondContact O-N 3.09Å; E318-E320 PolarHBondContact O-N 3.09Å
319A64.4Low62.6Low65 Ų65122.9 Ų122.954%0.53767%0.674SS.*  trans-79.9108.417600000111.7I315I315-A319 VanDerWaalsContact O-CB 3.31Å; I315-A319 WeakPolarHBondContact O-CB 3.36Å; I315-A319 PolarHBondContact O-N 2.75Å
320E62.9Low61.7Low182 Ų182123 Ų12385%0.8568%0.682SS**PPolyproline II helixtrans-63139.3167.8-75.6-176.6163.800110.9E318E318-E320 PolarHBondContact O-N 3.09Å
321P64.6Low60.6Low114 Ų114124.8 Ų124.874%0.7470%0.695SS**PPolyproline II helixtrans-61.5136.1178.326.1-33.1000109.7
322P60.1Low59.2Low113 Ų113129.8 Ų129.873%0.73471%0.711SS**PPolyproline II helixtrans-60.8138.1179.924.5-32000109.6E324P322-E324 PolarHBondContact O-N 3.19Å
323P54Low58.3Low111 Ų111133.6 Ų133.672%0.72173%0.73SS**PPolyproline II helixtrans-60.8131.1178.724.5-32.4000109.2V325P323-V325 VanDerWaalsContact C-N 3.26Å; P323-V325 PolarHBondContact O-N 2.95Å
324E55.7Low56.7Low182 Ų182133.4 Ų133.485%0.8574%0.741SS**  trans-62.488.9171.7-71.4-173.1165.500109.3P322 V326P322-E324 PolarHBondContact O-N 3.19Å; E324-V326 PolarHBondContact O-N 3.35Å
325V51.1Low55.7Low125 Ų125130.2 Ų130.276%0.75874%0.743SS**  trans-74.886.9167.8-173.80000106.7P323 S327P323-V325 VanDerWaalsContact C-N 3.26Å; P323-V325 PolarHBondContact O-N 2.95Å; V325-S327 VanDerWaalsContact C-N 3.27Å; V325-S327 PolarHBondContact O-N 3.31Å
326V48.6Very low54.2Low113 Ų113131.7 Ų131.769%0.68576%0.758SS**  trans-66.490.5168.3-174.90000107.7E324 K328E324-V326 PolarHBondContact O-N 3.35Å; V326-K328 PolarHBondContact O-N 2.78Å
327S48.6Very low52.6Low99 Ų99129.5 Ų129.569%0.69276%0.759SS**  trans-69.399.5168.356.60000108.3V325 P329V325-S327 VanDerWaalsContact C-N 3.27Å; V325-S327 PolarHBondContact O-N 3.31Å; S327-P329 WeakPolarHBondContact O-CD 3.35Å; S327-P329 VanDerWaalsContact O-N 3.16Å
328K46.6Very low51.4Low183 Ų183134.8 Ų134.880%0.79677%0.769SS**  trans-53118.3168-69.3178.5-179.9176.50108.1V326 V330V326-K328 PolarHBondContact O-N 2.78Å; K328-V330 PolarHBondContact O-N 3.29Å; K328-V330 VanDerWaalsContact O-N 3.11Å
329P49.4Very low49.7Very low118 Ų118134.6 Ų134.677%0.76677%0.771SS**  trans-68.4115.2178.526.2-31.2000108.8S327 L331S327-P329 WeakPolarHBondContact O-CD 3.35Å; S327-P329 VanDerWaalsContact O-N 3.16Å; P329-L331 PolarHBondContact O-N 2.88Å; P329-L331 VanDerWaalsContact O-N 3.17Å
330V48.7Very low48.4Very low116 Ų116135.1 Ų135.170%0.70378%0.783SS**  trans-68.3110.5172.1179.60000107.4K328 W332K328-V330 PolarHBondContact O-N 3.29Å; K328-V330 VanDerWaalsContact O-N 3.11Å; V330-W332 PolarHBondContact O-N 2.92Å
331L46.2Very low47.3Very low158 Ų158135 Ų13583%0.82779%0.788SS**  trans-75.2112.2168.1-88.8153.8000108.5P329 T333P329-L331 PolarHBondContact O-N 2.88Å; P329-L331 VanDerWaalsContact O-N 3.17Å; L331-T333 PolarHBondContact O-N 3.01Å
332W40.2Very low45.9Very low233 Ų233132.6 Ų132.688%0.88378%0.784SS**  trans-83.4107173.6-72.156.3000108.7V330V330-W332 PolarHBondContact O-N 2.92Å
333T48.8Very low44.9Very low122 Ų122134.9 Ų134.975%0.74879%0.789SS**  trans-91.3144.916452.80000109.6L331 G335L331-T333 PolarHBondContact O-N 3.01Å; T333-G335 PolarHBondContact O-N 3.11Å
334P39.9Very low44.5Very low136 Ų136138.3 Ų138.388%0.88380%0.795SS**SBendtrans-76.6118.2-174.8-8.826000110.6
335G52.6Low43.9Very low66 Ų66137.3 Ų137.368%0.6880%0.796SS**  trans96.990.2165.400000114.2T333T333-G335 PolarHBondContact O-N 3.11Å
336T41.3Very low43.6Very low146 Ų146136 Ų13690%0.89679%0.792SS**  trans-168.5131.6131.4-720000108.2
337A37.4Very low42.9Very low83 Ų83142.8 Ų142.869%0.68681%0.806SS**  trans-73.1148.4-178.400000112.1
338Q46.4Very low42.3Very low199 Ų199141 Ų14193%0.9380%0.802SS**  trans-66.1124.2177.4-147.8175.79.400110.7
339I35.2Very low41.5Very low162 Ų162139 Ų13983%0.83180%0.801SS**  trans-141.3117.1169.7-61.5177.6000109.4
340G37.5Very low40.6Very low76 Ų76140.1 Ų140.178%0.78480%0.799SS**  trans81.3115.9142.800000118.7
341D39.7Very low39.9Very low179 Ų179142.6 Ų142.696%0.95780%0.803SS**  trans-60133.1159.7-72.4-45.4000110.9
342G34.9Very low39.2Very low64 Ų64142.2 Ų142.266%0.6680%0.802SS**  trans171.599170.800000116.3
343I39.8Very low38.7Very low161 Ų161136.3 Ų136.383%0.82680%0.797SS**  trans95.3118.6140.5-53.3157.6000116.8
344E44.9Very low37.8Very low183 Ų183139.2 Ų139.286%0.85580%0.801SS**  trans-67134.3163.6-71.517715100110.6
345N43.2Very low37.4Very low161 Ų161141.1 Ų141.186%0.86180%0.796SS**  trans-103.9116.1169.3-70.7-20.1000109.5
346S45.6Very low36.2Very low99 Ų99144.4 Ų144.469%0.69279%0.793SS**  trans-121.997.7174.954.50000109.4
347W34.7Very low35.7Very low255 Ų255145.4 Ų145.497%0.96679%0.788SS**  trans-159.9102.7162.1-90.486.1000104
348G34.7Very low35.3Very low60 Ų60150.6 Ų150.662%0.61980%0.798SS**  86.9134.367.700000107
349D29.9Very low34.6Very low143 Ų143150.6 Ų150.677%0.76580%0.798SS**  cis179-179.18.2-110.2-25.5000104.7
350L32.3Very low34.2Very low140 Ų140146.9 Ų146.973%0.73380%0.8SS**  trans88.297.3154.6-62.5125.9000115.9
351E32.6Very low33.7Very low168 Ų168146.7 Ų146.779%0.78580%0.798SS**  91.5106.978.1-88.4-174.4-177.200110.6
352D32.7Very low33.1Very low150 Ų150145.4 Ų145.480%0.80279%0.789SS**  trans24.6121.2132.7-64.3-22.8000117.8
353S28.7Very low32.8Very low110 Ų110149.9 Ų149.977%0.76980%0.798SS**  168.1155.8105.348.20000112.9
354E31.1Very low32.3Very low182 Ų182151.2 Ų151.285%0.8580%0.801SS**  trans95.696.5159.9-49.8-166.2164.600118.7
355K29.6Very low31.5Very low176 Ų176147.2 Ų147.277%0.76580%0.799SS**  -5.7148.1122.8-76.3167.5157.9-114.90114.8
356E29.1Very low30.8Very low135 Ų135146.2 Ų146.263%0.63180%0.798SS**  cis-170.6157.625.6-119.4158.5-148.500107.6
357E29.4Very low30.2Very low167 Ų167148.6 Ų148.678%0.7880%0.802SS**  trans61.1116.2152.7-59.9-178.9-178.200121.5
358E29.2Very low30Very low193 Ų193143.6 Ų143.690%0.90279%0.793SS**  -178.9158.797.7-99.6-169.2177.700112.1
359E32.3Very low29.6Very low199 Ų199147.2 Ų147.293%0.9380%0.798SS**  trans-71.8156.8-162.1-59.3-179.3142.500117.3
360G26.3Very low29.5Very low84 Ų84147 Ų14787%0.86680%0.797SS**  120.5110.9126.500000118.2
361G26.4Very low29.2Very low72 Ų72146.2 Ų146.274%0.74280%0.799SS**  trans14080.5149.900000118.8
362I28.6Very low29Very low151 Ų151146.5 Ų146.577%0.77480%0.797SS**  trans20.9123.9137.1-15-176.8000116.3
363D27.5Very low28.8Very low159 Ų159146.1 Ų146.185%0.8579%0.792SS**  -150142.969-79.9-30.3000115.4
364E29.9Very low28.6Very low189 Ų189147.6 Ų147.688%0.88379%0.791SS**  trans-75145.2-173.9-66.6177.3138.100115
365A28.2Very low28.5Very low98 Ų98145.4 Ų145.481%0.8179%0.791SS**  trans-156.4113.4133.600000109.1
366V28.5Very low28.3Very low140 Ų140141 Ų14185%0.84880%0.796SS**  trans-139.6135.1170.9174.50000110.7
367I33.2Very low28.1Very low149 Ų149138.5 Ų138.576%0.76481%0.806SS**  trans-82162.2169.2-62.7161.4000109.1
368L29.2Very low28.1Very low151 Ų151137.3 Ų137.379%0.79181%0.809SS**  trans130.3152.8153.5-73.3162.8000111.2
369D26.5Very low28Very low135 Ų135133.3 Ų133.372%0.72280%0.803SS**  cis-168.8174.2-23.8-149.6-5.1000105.2
370D27.8Very low27.8Very low138 Ų138131 Ų13174%0.73880%0.797SS**  trans-52155.6176.6-81.5-42.5000117.2
371T26.4Very low27.8Very low125 Ų125134.9 Ų134.977%0.76780%0.796SS**  169.6132.9116.533.50000116.4
372K28.9Very low27.8Very low174 Ų174134.6 Ų134.676%0.75779%0.794SS**  trans46.4150.3133.6-69.9177.9175.6176.20120.7
373M27.9Very low27.9Very low141 Ų141134.5 Ų134.570%0.69580%0.795SS**  cis-174.2168.316.5-122.5165.4178.700109.8
374D25.5Very low27.9Very low141 Ų141135.4 Ų135.475%0.75479%0.794SS**  trans74.5136.2154-68.1-9.5000119.1
375T28Very low27.8Very low137 Ų137130.2 Ų130.284%0.8479%0.791SS**  cis-155.815828.734.40000110.3
376G24.9Very low27.9Very low84 Ų84130.1 Ų130.187%0.86679%0.79SS**  trans-86.5174.9-178.100000116.6
377G26.3Very low28.2Very low82 Ų82129.2 Ų129.285%0.84579%0.787SS**  trans167.5121.717000000114
378V28.1Very low28.2Very low141 Ų141129.6 Ų129.686%0.85579%0.789SS**  trans-79146.1-173.9171.40000113
379S27.7Very low28.3Very low110 Ų110128.6 Ų128.677%0.76979%0.789SS**  161.6119.2125.548.80000115.4
380D27.3Very low28.5Very low149 Ų149130 Ų13080%0.79780%0.796SS**  trans24.7143.1131.5-94.9-23.2000125.4
381I27.8Very low28.4Very low166 Ų166128.2 Ų128.285%0.85179%0.794SS**  trans87.5124.3150.6-61.1153.1000119.3
382G26.5Very low28.6Very low67 Ų67130.5 Ų130.569%0.69180%0.801SS**  trans133.278.6131.600000119.2
383N28.8Very low28.7Very low149 Ų149126.8 Ų126.880%0.79780%0.798SS**  22.4122.8127.9-150.416.1000119.4
384Q29Very low29.1Very low178 Ų178129.4 Ų129.483%0.83281%0.808SS**  157.5125.9119.8-84.7-179.218.100114
385G26.4Very low29.5Very low80 Ų80131.4 Ų131.483%0.82581%0.813SS**  71107.2126.900000120.9
386A31.8Very low29.8Very low96 Ų96134.2 Ų134.279%0.79382%0.817SS**  171135.7108.200000111.3
387P34.9Very low30.1Very low120 Ų120139 Ų13978%0.77982%0.816SS**  trans-86.7141.1179.933.5-31.6000112.5V389P387-V389 PolarHBondContact O-N 3.42Å
388I33.2Very low30.3Very low158 Ų158143.5 Ų143.581%0.8182%0.817SS**  trans-76.8114.8173.5-64.1158000108.3L390I388-L390 HydrophobicContact CG2-CG 4.27Å
389V29.8Very low30.7Very low129 Ų129143.5 Ų143.578%0.78281%0.811SS**  trans-92.2119.2169.4177.40000107.4P387P387-V389 PolarHBondContact O-N 3.42Å
390L30.3Very low30.9Very low165 Ų165145.2 Ų145.286%0.86481%0.81SS**  trans-106.2130.5165.1-74.9171.2000108.9I388I388-L390 HydrophobicContact CG2-CG 4.27Å
391S27.8Very low31.2Very low101 Ų101145.7 Ų145.771%0.70681%0.812SS**  trans-85126.2-171.7169.80000110.8
392D29.5Very low31.5Very low172 Ų172146.1 Ų146.192%0.9281%0.81SS**  trans-111.8111.7159.6-95.2-16.5000108.2
393S31.7Very low31.9Very low97 Ų97148.9 Ų148.968%0.67882%0.816SS**  trans-130.596.8172.1-105.80000107.5
394E35.9Very low32.1Very low196 Ų196150 Ų15092%0.91682%0.822SS**  trans-128.7114.2155.8-71.2-170.9164.800106.9
395E33Very low32.2Very low183 Ų183150.6 Ų150.686%0.85582%0.822SS**  trans-88.8121.8-177-60.6177.8170.300109.1
396E34.6Very low32.5Very low196 Ų196153.4 Ų153.492%0.91682%0.818SS**  trans-109.2123.8161.9-74.9-167.8162.100109.8M398E396-M398 PolarHBondContact O-N 3.17Å
397E31.1Very low32.8Very low183 Ų183155.2 Ų155.286%0.85582%0.822SS**  trans-63.2120.9-178.8-67.3177.2143.800112.5
398M31.9Very low32.6Very low177 Ų177157.8 Ų157.887%0.87282%0.821SS**  trans-89.6103.5167.5-111.7-166.4-82.200110.3E396 I400E396-M398 PolarHBondContact O-N 3.17Å; M398-I400 PolarHBondContact O-N 3.4Å
399I34.9Very low32.5Very low142 Ų142159 Ų15973%0.72882%0.82SS**  trans-82.6106170.4-60.9171.9000108.8L401I399-L401 HydrophobicContact CG2-CG 4.43Å
400I32.4Very low32.5Very low145 Ų145161.2 Ų161.274%0.74483%0.826SS**  trans-85.6114.7171.1-61.4172000108.1M398M398-I400 PolarHBondContact O-N 3.4Å
401L33Very low32.4Very low160 Ų160164.7 Ų164.784%0.83883%0.827SS**  trans-90.3115.5171.7-74.6167000110I399I399-L401 HydrophobicContact CG2-CG 4.43Å
402E36Very low32.4Very low174 Ų174164 Ų16481%0.81383%0.828SS**PPolyproline II helixtrans-78.6146.7167.7-67.6-168.5161.500111.4D404E402-D404 PolarHBondContact O-N 3.28Å
403P34.7Very low32.5Very low126 Ų126164.3 Ų164.382%0.81882%0.824SS**PPolyproline II helixtrans-82.6117.9-177.830.8-32.3000112.6
404D32.1Very low32.4Very low172 Ų172165.2 Ų165.292%0.9283%0.825SS**PPolyproline II helixtrans-68.2133.7176.5-102.5-29.1000113.5E402E402-D404 PolarHBondContact O-N 3.28Å
405K31.5Very low32.1Very low190 Ų190161.8 Ų161.883%0.82682%0.818SS**PPolyproline II helixtrans-86.3132.4173.8-78.4173.4177.1166.60111.2
406N33Very low32Very low139 Ų139160.3 Ų160.374%0.74382%0.816SS**  trans63.8138.8155.5-66.3-27.8000119.2
407P37.4Very low31.8Very low135 Ų135155.3 Ų155.388%0.87781%0.808SS**  -121.6137.6126.933.5-27.2000112.8
408K31.5Very low31.8Very low173 Ų173156 Ų15675%0.75281%0.809SS**  trans-90.1138.1170.9-93.3177.1-179.9168.80110.6
409K29.9Very low31.8Very low185 Ų185155.1 Ų155.180%0.80480%0.802SS**  trans70.8122.8141-67.2177.6177.8-175.40119.9
410I30.2Very low31.6Very low174 Ų174156.4 Ų156.489%0.89280%0.802SS**  -162.6145.3119.7-78.4137.1000104
411R27.5Very low31.6Very low239 Ų239153.9 Ų153.990%0.90280%0.803SS**  cis-171.7154-26.8-179.7175.1-179.4175.40.5103.7
412A29.1Very low31.8Very low87 Ų87152.4 Ų152.472%0.71980%0.803SS**  trans-69.1161.3-166.500000116.9
413Q31.7Very low31.5Very low177 Ų177149.9 Ų149.983%0.82781%0.805SS**  trans-175.2103.4133.5-99.9168.417.600109.3
414T28.4Very low31.5Very low117 Ų117153.4 Ų153.472%0.71881%0.807SS**  82.8134.196.550.50000116.7
415T30.6Very low31.4Very low124 Ų124151.1 Ų151.176%0.76181%0.805SS**  trans102.1102.8153.870.80000120.7
416N30.6Very low31.5Very low152 Ų152150.5 Ų150.581%0.81381%0.805SS**  65107.7122-67.7-8.9000123
417A30.4Very low31.5Very low91 Ų91150 Ų15075%0.75281%0.807SS**  56.5116.3111.300000121.7
418K31.7Very low31.4Very low198 Ų198153.8 Ų153.886%0.86181%0.809SS**  152.6109.1124.1-86.6175.6177.3177.80109.4
419E30.6Very low31.4Very low157 Ų157155.9 Ų155.973%0.73481%0.812SS**  62.6123.587.7-93.2-158.7177.200117.3
420K30.5Very low31.6Very low169 Ų169159.1 Ų159.174%0.73582%0.82SS**  trans89.2100.5146.3-72.8176.2174.7120.60121.1
421A33.7Very low31.9Very low93 Ų93159.7 Ų159.777%0.76982%0.816SS**  61.4140.8113.700000121.7
422P35.9Very low32.5Very low129 Ų129157.8 Ų157.884%0.83881%0.814SS**PPolyproline II helixtrans-90.2144.9-176.736.3-32.8000113.2
423S31.2Very low32.8Very low121 Ų121163.1 Ų163.185%0.84682%0.821SS**PPolyproline II helixtrans-100.5145.1175.2590000112.7
424K33.1Very low33.2Very low199 Ų199166 Ų16687%0.86582%0.824SS**PPolyproline II helixtrans-65.7151.8-179.4-63167.5175.5173.80112.7
425S30.3Very low33.9Very low125 Ų125167.4 Ų167.487%0.87483%0.833SS**  trans-143.9137.7142.964.20000112
426Q33.1Very low34.9Very low177 Ų177165.8 Ų165.883%0.82783%0.832SS**  trans-95.1144.6-169.1-71.7173.3-4200112.7
427V33.5Very low35.8Very low128 Ų128170.1 Ų170.178%0.77686%0.855SS**  25.9120.7128.7-1720000118.4
428K34.8Very low36.1Very low214 Ų214174.1 Ų174.193%0.9386%0.86SS**  trans-137.4128.4143.2-95.5-176.4-178173.40112.5
429R32.9Very low36.3Very low217 Ų217172.8 Ų172.882%0.81986%0.86SS**  trans-60.3154.5174.7-71.2164.5150.9167.3-5.8113.5
430R34.4Very low36.6Very low254 Ų254173.7 Ų173.796%0.95887%0.867SS**  trans-145.7131135.4-116175.3173.1178.2-2.9112.3
431K35.7Very low37Very low186 Ų186174 Ų17481%0.80988%0.875SS**  trans-86.3145.7-177.7-92.2176.9170.4177.40111.7
432K39.4Very low37.2Very low198 Ų198179.1 Ų179.186%0.86188%0.882SS**  trans24.9133.9135.7-73.6-178.3172.2-179.70120.8
433K37Very low37.3Very low200 Ų200182.4 Ų182.487%0.8789%0.885SS**  -168.8118.2119.3-100.3174.7179.3-175.70107.8
434R40.3Very low37.7Very low238 Ų238186.8 Ų186.890%0.89889%0.888SS**  54.7115.788.7-96.5-172166.8-177.5-4.1113.4
435T41.9Very low38.1Very low146 Ų146185.8 Ų185.890%0.89689%0.889SS**  -170.9139.8105.532.20000110.9
436A51.2Low38.7Very low90 Ų90190.9 Ų190.974%0.74489%0.891SS**  trans-95.4139.5159.900000108.2
437N50.2Low39.2Very low243 Ų243192.2 Ų192.2100%1.29990%0.896SS**  trans-178.40135.3-100.94.8000108.6

Retrieved 437 of 437 residues in 601.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).