BAP1_MOUSE Loading...

Ubiquitin carboxyl-terminal hydrolase BAP1

Deubiquitinating enzyme that plays a key role in chromatin by mediating deubiquitination of histone H2A and HCFC1 (By similarity)1. Catalytic component of the polycomb repressive deubiquitinase (PR-DUB) complex, a complex that specifically mediates deubiquitination of histone H2A monoubiquitinated at 'Lys-120' (H2AK119ub1) (By similarity)2,3. Does not deubiquitinate monoubiquitinated histone H2B (By similarity). The PR-DUB complex is an epigenetic regulator of gene expression and acts as a transcriptional coactivator, affecting genes involved in development, cell communication, signaling, cell proliferation and cell viability (By similarity)4,5. Antagonizes PRC1 mediated H2AK119ub1 monoubiquitination (By similarity). As part of the PR-DUB complex, associates with chromatin enriched in histone marks H3K4me1, H3K4me3, and H3K27Ac, but not in H3K27me3 (By similarity)6. Acts as a regulator of cell growth by mediating deubiquitination of HCFC1 N-terminal and C-terminal chains, with some specificity toward 'Lys-48'-linked polyubiquitin chains compared to 'Lys-63'-linked polyubiquitin chains. Deubiquitination of HCFC1 does not lead to increase stability of HCFC1. Interferes with the BRCA1 and BARD1 heterodimer activity by inhibiting their ability to mediate ubiquitination and autoubiquitination. It however does not mediate deubiquitination of BRCA1 and BARD1. Able to mediate autodeubiquitination via intramolecular interactions to counteract monoubiquitination at the nuclear localization signal (NLS), thereby protecting it from cytoplasmic sequestration (By similarity). Negatively regulates epithelial-mesenchymal transition (EMT) of trophoblast stem cells during placental development by regulating genes involved in epithelial cell integrity, cell adhesion and cytoskeletal organization7.

AlphaFold DB , UniProt , Accession Q99PU7, Species MOUSE (Mus musculus, Mouse), Gene Bap1, Length 728 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.3Very low80.4Confident238 Ų23882.3 Ų82.3100%1.17242%0.423SS*.  0145.10-63.9174-179.500108.9
2N53.6Low81.7Confident98 Ų9876.7 Ų76.752%0.52440%0.396SS..  trans-71.4138.3171.7-64.8-10.8000108.9G4N2-G4 PolarHBondContact O-N 3.28Å
3K63.3Low82.9Confident197 Ų19770.8 Ų70.886%0.85737%0.365SS*.  trans-7741.9-179-66-168.6174-1700113.1
4G85.2Confident83.9Confident41 Ų4165.7 Ų65.742%0.42334%0.339SS..  trans61.2-160.8-166.300000112.9N2 N142N2-G4 PolarHBondContact O-N 3.28Å; G4-N142 PolarHBondContact O-ND2 3.22Å
5W92.3Very high84.8Confident16 Ų1661.3 Ų61.36%0.06132%0.317CS..  trans-118133.5168.3-70.756.7000107.3I87 N89 S90 T93 I131 L137 A138 H141 N142W5-I87 HydrophobicContact CB-CG2 4.26Å; W5-I87 HydrophobicContact CD2-CG2 4.47Å; W5-I87 HydrophobicContact CG-CG2 3.85Å; W5-N89 WeakPolarHBondContact O-CB 3.27Å; W5-N89 PolarHBondContact O-ND2 3.43Å; W5-S90 VanDerWaalsContact CE3-CB 3.42Å; W5-T93 HydrophobicContact CH2-CG2 4.08Å; W5-T93 HydrophobicContact CZ3-CG2 3.87Å; W5-I131 HydrophobicContact CH2-CG2 4.24Å; W5-L137 HydrophobicContact CH2-CB 4.01Å; W5-A138 HydrophobicContact CD2-CB 4.35Å; W5-A138 HydrophobicContact CH2-CB 4.45Å; W5-A138 HydrophobicContact CZ2-CB 3.69Å; W5-H141 HydrophobicContact CE3-CB 3.83Å; W5-H141 AromaticContact CE3-CD2 3.51Å; W5-H141 AromaticContact CE3-CE1 3.74Å; W5-H141 AromaticContact CE3-CG 3.39Å; W5-H141 AromaticContact CE3-ND1 3.54Å; W5-H141 AromaticContact CE3-NE2 3.69Å; W5-H141 HydrophobicContact CZ3-CB 3.72Å; W5-H141 AromaticContact CZ3-CG 3.63Å; W5-H141 AromaticContact CZ3-ND1 3.61Å; W5-N142 WeakPolarHBondContact CA-OD1 3.35Å
6L92.2Very high85.7Confident42 Ų4257.5 Ų57.522%0.2230%0.297CS..PPolyproline II helixtrans-88.5163.9-177.3-62.7175000111.4N89 H141 N142 A145L6-N89 WeakPolarHBondContact O-CB 3.38Å; L6-H141 PolarHBondContact O-NE2 3.24Å; L6-N142 HydrophobicContact CD1-CB 4.38Å; L6-N142 PolarHBondContact N-OD1 2.99Å; L6-A145 HydrophobicContact CB-CB 3.43Å; L6-A145 VanDerWaalsContact CB-CB 3.43Å; L6-A145 HydrophobicContact CD1-CB 3.75Å; L6-A145 HydrophobicContact CG-CB 4.23Å
7E91Very high86.4Confident120 Ų12054.5 Ų54.556%0.56128%0.281SS*.PPolyproline II helixtrans-78.4131.7177.8-168.7173.2-170.400111
8L92.8Very high87Confident16 Ų1651.4 Ų51.48%0.08427%0.266CS..PPolyproline II helixtrans-103.3145.2177.3-70.5-174.1000112.4L14 L18 A92 H141 H144 A145L8-L14 HydrophobicContact CD1-CD2 4.02Å; L8-L14 HydrophobicContact CD2-CD1 4.27Å; L8-L14 HydrophobicContact CD2-CD2 4.27Å; L8-L18 HydrophobicContact CD1-CD2 4.09Å; L8-A92 HydrophobicContact CB-CB 4.24Å; L8-A92 HydrophobicContact CD1-CB 4.11Å; L8-H141 WeakPolarHBondContact CD1-CE1 3.31Å; L8-H141 VanDerWaalsContact CD1-ND1 3.35Å; L8-H141 WeakPolarHBondContact CD1-ND1 3.45Å; L8-H144 HydrophobicContact CD2-CB 4.09Å; L8-A145 HydrophobicContact CD2-CB 3.85Å
9E91.3Very high87.6Confident64 Ų6448.7 Ų48.730%0.29925%0.252SS..PPolyproline II helixtrans-77.5147.4174.6-63.2-177.3160.100111.9D11 L14 R146 R666E9-D11 VanDerWaalsContact C-N 3.32Å; E9-D11 PolarHBondContact O-N 2.73Å; E9-L14 HydrophobicContact CB-CD1 4.26Å; E9-R146 IonicContact OE1-CZ 3.3Å; E9-R146 IonicContact OE1-NE 2.72Å; E9-R146 PolarHBondContact OE1-NE 2.81Å; E9-R146 IonicContact OE1-NH2 3.34Å; E9-R146 PolarHBondContact OE1-NH2 2.91Å; E9-R666 VanDerWaalsContact OE2-CD 3.31Å; E9-R666 WeakPolarHBondContact OE2-CD 3.4Å; E9-R666 IonicContact OE2-CZ 2.74Å; E9-R666 IonicContact OE2-NE 2.88Å; E9-R666 IonicContact OE2-NH1 3.62Å; E9-R666 PolarHBondContact OE2-NH1 3.22Å
10S92.2Very high88Confident37 Ų3749 Ų4926%0.25925%0.252SS..  trans-7978.8173.3-171.70000111.1L49S10-L49 WeakPolarHBondContact OG-CD2 3.33Å
11D94.1Very high88.5Confident36 Ų3651.4 Ų51.419%0.19327%0.265CS..  trans-127.2124.7178.1165.435.2000110.7E9 G13 L14 F15 R666E9-D11 VanDerWaalsContact C-N 3.32Å; E9-D11 PolarHBondContact O-N 2.73Å; D11-G13 PolarHBondContact O-N 3.44Å; D11-G13 PolarHBondContact OD1-N 2.8Å; D11-L14 HydrophobicContact CB-CB 3.95Å; D11-L14 WeakPolarHBondContact O-CB 3.47Å; D11-L14 PolarHBondContact O-N 3.24Å; D11-L14 PolarHBondContact OD2-N 3.15Å; D11-F15 WeakPolarHBondContact O-CD2 3.35Å; D11-F15 PolarHBondContact O-N 2.92Å; D11-R666 IonicContact OD2-CZ 3.14Å; D11-R666 IonicContact OD2-NH1 2.68Å; D11-R666 PolarHBondContact OD2-NH1 3.23Å; D11-R666 IonicContact OD2-NH2 2.72Å; D11-R666 PolarHBondContact OD2-NH2 3.03Å
12P96.1Very high91.4Very high15 Ų1540.4 Ų40.410%0.09721%0.211CC..Hα-helixtrans-60.2-26.9175.728-38.7000112.8T16 V29 E31 M231P12-T16 VanDerWaalsContact O-CB 3.25Å; P12-T16 WeakPolarHBondContact O-CB 3.41Å; P12-T16 PolarHBondContact O-N 2.96Å; P12-T16 PolarHBondContact O-OG1 3.27Å; P12-V29 HydrophobicContact CB-CG1 4.38Å; P12-V29 WeakPolarHBondContact CB-O 3.36Å; P12-E31 HydrophobicContact CB-CB 4.39Å; P12-E31 HydrophobicContact CG-CB 3.94Å; P12-M231 HydrophobicContact CB-SD 4.16Å
13G96.8Very high93.4Very high0 Ų037.1 Ų37.10%020%0.2CC..Hα-helixtrans-65.1-55.6174.200000111.9D11 F15 T16 L17 F659D11-G13 PolarHBondContact O-N 3.44Å; D11-G13 PolarHBondContact OD1-N 2.8Å; G13-F15 PolarHBondContact O-N 3.18Å; G13-T16 WeakPolarHBondContact O-CB 3.32Å; G13-T16 PolarHBondContact O-N 3.02Å; G13-T16 VanDerWaalsContact O-N 3.15Å; G13-L17 WeakPolarHBondContact O-CG 3.22Å; G13-L17 PolarHBondContact O-N 3.4Å; G13-F659 VanDerWaalsContact CA-CG 3.49Å
14L97.2Very high95.1Very high0 Ų028 Ų280%016%0.161CC..Hα-helixtrans-50.8-53.2172.3-165.7167000111.5L8 E9 D11 T16 L17 L18 H144L8-L14 HydrophobicContact CD1-CD2 4.02Å; L8-L14 HydrophobicContact CD2-CD1 4.27Å; L8-L14 HydrophobicContact CD2-CD2 4.27Å; E9-L14 HydrophobicContact CB-CD1 4.26Å; D11-L14 HydrophobicContact CB-CB 3.95Å; D11-L14 WeakPolarHBondContact O-CB 3.47Å; D11-L14 PolarHBondContact O-N 3.24Å; D11-L14 PolarHBondContact OD2-N 3.15Å; L14-T16 VanDerWaalsContact C-N 3.28Å; L14-T16 PolarHBondContact O-N 3.02Å; L14-L17 PolarHBondContact O-N 3.19Å; L14-L17 VanDerWaalsContact O-N 3.1Å; L14-L18 WeakPolarHBondContact O-CB 3.46Å; L14-L18 PolarHBondContact O-N 2.88Å; L14-H144 HydrophobicContact CD1-CB 4.35Å; L14-H144 HydrophobicContact CD2-CB 3.74Å; L14-H144 HydrophobicContact CG-CB 3.88Å
15F98Very high95.6Very high0 Ų032.2 Ų32.20%017%0.167CC..Hα-helixtrans-61.4-36.3-179.6-85.5-118.1000112D11 G13 V19 V29 I47 A92 F170 M231D11-F15 WeakPolarHBondContact O-CD2 3.35Å; D11-F15 PolarHBondContact O-N 2.92Å; G13-F15 PolarHBondContact O-N 3.18Å; F15-V19 VanDerWaalsContact O-CG2 3.31Å; F15-V19 WeakPolarHBondContact O-CG2 3.4Å; F15-V19 PolarHBondContact O-N 3.48Å; F15-V19 VanDerWaalsContact O-N 3.14Å; F15-V29 HydrophobicContact CB-CB 3.98Å; F15-V29 HydrophobicContact CB-CG1 3.95Å; F15-V29 HydrophobicContact CB-CG2 4.01Å; F15-I47 HydrophobicContact CD1-CD1 4.15Å; F15-I47 HydrophobicContact CE1-CD1 4.15Å; F15-I47 HydrophobicContact CE1-CG2 4.35Å; F15-A92 HydrophobicContact CE1-CB 4.15Å; F15-A92 HydrophobicContact CE2-CB 4.12Å; F15-A92 HydrophobicContact CZ-CB 3.49Å; F15-A92 VanDerWaalsContact CZ-CB 3.49Å; F15-F170 HydrophobicContact CE1-CE1 4.44Å; F15-F170 HydrophobicContact CE2-CE1 4.41Å; F15-F170 HydrophobicContact CE2-CZ 4.18Å; F15-F170 HydrophobicContact CZ-CD1 4.32Å; F15-F170 AromaticContact CZ-CE1 3.69Å; F15-F170 HydrophobicContact CZ-CE1 3.69Å; F15-F170 HydrophobicContact CZ-CE2 4.31Å; F15-F170 AromaticContact CZ-CZ 3.69Å; F15-F170 HydrophobicContact CZ-CZ 3.69Å; F15-M231 HydrophobicContact CD1-CE 4.15Å; F15-M231 HydrophobicContact CD2-CE 4.19Å; F15-M231 HydrophobicContact CD2-SD 4.44Å; F15-M231 HydrophobicContact CE1-CE 3.98Å; F15-M231 HydrophobicContact CE2-CE 4.02Å; F15-M231 HydrophobicContact CG-CE 4.24Å; F15-M231 HydrophobicContact CG-SD 4.31Å; F15-M231 HydrophobicContact CZ-CE 3.89Å
16T98.1Very high95.7Very high0 Ų032.6 Ų32.60%018%0.176CC..Hα-helixtrans-65.5-37.8174.9-64.30000112.5P12 G13 L14 E20 Q28 V29 R656P12-T16 VanDerWaalsContact O-CB 3.25Å; P12-T16 WeakPolarHBondContact O-CB 3.41Å; P12-T16 PolarHBondContact O-N 2.96Å; P12-T16 PolarHBondContact O-OG1 3.27Å; G13-T16 WeakPolarHBondContact O-CB 3.32Å; G13-T16 PolarHBondContact O-N 3.02Å; G13-T16 VanDerWaalsContact O-N 3.15Å; L14-T16 VanDerWaalsContact C-N 3.28Å; L14-T16 PolarHBondContact O-N 3.02Å; T16-E20 PolarHBondContact O-N 3.3Å; T16-Q28 HydrophobicContact CG2-CB 3.84Å; T16-V29 PolarHBondContact OG1-N 2.77Å; T16-V29 PolarHBondContact OG1-O 3.38Å; T16-R656 VanDerWaalsContact CG2-NH1 3.29Å
17L97.8Very high96Very high6 Ų630.7 Ų30.73%0.03117%0.167CC..Hα-helixtrans-72.5-40.7176.3-62.4176.6000111.9G13 L14 V19 E20 D21 H144 F659 K660 D663G13-L17 WeakPolarHBondContact O-CG 3.22Å; G13-L17 PolarHBondContact O-N 3.4Å; L14-L17 PolarHBondContact O-N 3.19Å; L14-L17 VanDerWaalsContact O-N 3.1Å; L17-V19 PolarHBondContact O-N 3.02Å; L17-E20 WeakPolarHBondContact O-CA 3.36Å; L17-E20 WeakPolarHBondContact O-CB 3.45Å; L17-E20 PolarHBondContact O-N 3.41Å; L17-D21 PolarHBondContact O-N 3.05Å; L17-H144 VanDerWaalsContact CB-CE1 3.48Å; L17-H144 WeakPolarHBondContact CB-CE1 3.4Å; L17-F659 HydrophobicContact CD1-CB 4.37Å; L17-K660 HydrophobicContact CD1-CG 4.17Å; L17-K660 HydrophobicContact CD2-CD 4.18Å; L17-K660 HydrophobicContact CD2-CG 3.61Å; L17-D663 HydrophobicContact CD1-CB 3.59Å
18L97.9Very high96.2Very high0 Ų025.2 Ų25.20%014%0.141CC..Hα-helixtrans-58.7-32.6174.9-177.463.9000112.4L8 L14 F22 L96 A140 H144L8-L18 HydrophobicContact CD1-CD2 4.09Å; L14-L18 WeakPolarHBondContact O-CB 3.46Å; L14-L18 PolarHBondContact O-N 2.88Å; L18-F22 HydrophobicContact CD1-CD1 4.26Å; L18-F22 HydrophobicContact CD1-CE1 3.53Å; L18-F22 HydrophobicContact CD1-CE2 4.33Å; L18-F22 HydrophobicContact CD1-CZ 3.57Å; L18-F22 HydrophobicContact CD2-CE2 4.49Å; L18-F22 HydrophobicContact CD2-CZ 4.18Å; L18-F22 HydrophobicContact CG-CE1 4.1Å; L18-F22 HydrophobicContact CG-CE2 4Å; L18-F22 HydrophobicContact CG-CZ 3.71Å; L18-F22 WeakPolarHBondContact O-CG 3.3Å; L18-F22 PolarHBondContact O-N 3.35Å; L18-F22 VanDerWaalsContact O-N 3.08Å; L18-L96 HydrophobicContact CD2-CD2 3.97Å; L18-L96 HydrophobicContact CG-CD2 4.17Å; L18-A140 HydrophobicContact CD1-CB 4.23Å; L18-A140 WeakPolarHBondContact CD1-O 3.3Å; L18-H144 PolarHBondContact N-NE2 2.83Å
19V97.8Very high96.5Very high0 Ų024.5 Ų24.50%014%0.137CC..Hα-helixtrans-66.9-45.5170.6170.60000111.8F15 L17 D21 F22 V24 V27 V29 L96 L100F15-V19 VanDerWaalsContact O-CG2 3.31Å; F15-V19 WeakPolarHBondContact O-CG2 3.4Å; F15-V19 PolarHBondContact O-N 3.48Å; F15-V19 VanDerWaalsContact O-N 3.14Å; L17-V19 PolarHBondContact O-N 3.02Å; V19-D21 VanDerWaalsContact C-N 3.34Å; V19-D21 PolarHBondContact O-N 3.4Å; V19-F22 PolarHBondContact O-N 2.6Å; V19-V24 HydrophobicContact CG1-CB 3.74Å; V19-V24 HydrophobicContact CG1-CG1 3.85Å; V19-V24 WeakPolarHBondContact O-CB 3.28Å; V19-V24 PolarHBondContact O-N 2.75Å; V19-V27 HydrophobicContact CG1-CB 3.91Å; V19-V27 HydrophobicContact CG1-CG1 4.09Å; V19-V29 HydrophobicContact CG2-CG2 4.45Å; V19-L96 HydrophobicContact CG2-CD1 3.77Å; V19-L96 HydrophobicContact CG2-CD2 3.76Å; V19-L96 HydrophobicContact CG2-CG 4.2Å; V19-L100 HydrophobicContact CG2-CD1 4.47Å
20E97Very high96.6Very high54 Ų5422.7 Ų22.725%0.25213%0.129SC..Hα-helixtrans-59.7-43.5174.5-68.7-172.2164.700110.9T16 L17 F22 G23 R238 R656 K660T16-E20 PolarHBondContact O-N 3.3Å; L17-E20 WeakPolarHBondContact O-CA 3.36Å; L17-E20 WeakPolarHBondContact O-CB 3.45Å; L17-E20 PolarHBondContact O-N 3.41Å; E20-F22 PolarHBondContact O-N 2.65Å; E20-G23 WeakPolarHBondContact O-CA 3.2Å; E20-G23 PolarHBondContact O-N 3.46Å; E20-R238 IonicContact OE1-NH2 2.74Å; E20-R238 PolarHBondContact OE1-NH2 3.2Å; E20-R238 VanDerWaalsContact OE1-NH2 3.14Å; E20-R656 IonicContact OE1-CZ 2.6Å; E20-R656 IonicContact OE1-NH1 3.96Å; E20-R656 PolarHBondContact OE1-NH1 3.21Å; E20-K660 WeakPolarHBondContact OE2-CE 3.15Å; E20-K660 IonicContact OE2-NZ 3.82Å; E20-K660 PolarHBondContact OE2-NZ 2.92Å
21D97.2Very high96.7Very high100 Ų10023.6 Ų23.654%0.53513%0.129SC..Hα-helixtrans-72.8-24.1-177.9-96.534000114.1L17 V19 G23 A140L17-D21 PolarHBondContact O-N 3.05Å; V19-D21 VanDerWaalsContact C-N 3.34Å; V19-D21 PolarHBondContact O-N 3.4Å; D21-G23 PolarHBondContact O-N 3.22Å; D21-A140 HydrophobicContact CB-CB 4.03Å
22F97.2Very high96.6Very high6 Ų623.2 Ų23.23%0.02613%0.127CC..THydrogen-bonded Turntrans-72-6.5165.7-67.8-14.7000113.2L18 V19 E20 V24 T93 L96 L97 L112 L137 A140L18-F22 HydrophobicContact CD1-CD1 4.26Å; L18-F22 HydrophobicContact CD1-CE1 3.53Å; L18-F22 HydrophobicContact CD1-CE2 4.33Å; L18-F22 HydrophobicContact CD1-CZ 3.57Å; L18-F22 HydrophobicContact CD2-CE2 4.49Å; L18-F22 HydrophobicContact CD2-CZ 4.18Å; L18-F22 HydrophobicContact CG-CE1 4.1Å; L18-F22 HydrophobicContact CG-CE2 4Å; L18-F22 HydrophobicContact CG-CZ 3.71Å; L18-F22 WeakPolarHBondContact O-CG 3.3Å; L18-F22 PolarHBondContact O-N 3.35Å; L18-F22 VanDerWaalsContact O-N 3.08Å; V19-F22 PolarHBondContact O-N 2.6Å; E20-F22 PolarHBondContact O-N 2.65Å; F22-V24 HydrophobicContact CB-CG2 4.16Å; F22-T93 HydrophobicContact CE2-CG2 4.08Å; F22-T93 HydrophobicContact CZ-CG2 3.61Å; F22-L96 HydrophobicContact CE2-CD2 4.01Å; F22-L97 HydrophobicContact CD2-CD2 4.43Å; F22-L97 HydrophobicContact CE2-CD2 4.24Å; F22-L112 HydrophobicContact CB-CD1 4.35Å; F22-L112 HydrophobicContact CB-CG 4.39Å; F22-L112 HydrophobicContact CD2-CD1 4.35Å; F22-L137 HydrophobicContact CD1-CD2 3.6Å; F22-L137 HydrophobicContact CD2-CD2 4.48Å; F22-L137 HydrophobicContact CE1-CB 4.22Å; F22-L137 HydrophobicContact CE1-CD2 3.68Å; F22-L137 HydrophobicContact CG-CD2 4.03Å; F22-L137 HydrophobicContact CZ-CD2 4.18Å; F22-A140 HydrophobicContact CD1-CB 3.83Å; F22-A140 HydrophobicContact CE1-CB 3.79Å
23G96.7Very high96.2Very high29 Ų2930.4 Ų30.430%0.29915%0.153SC..THydrogen-bonded Turntrans83.210.2-179.200000114.7E20 D21 G109E20-G23 WeakPolarHBondContact O-CA 3.2Å; E20-G23 PolarHBondContact O-N 3.46Å; D21-G23 PolarHBondContact O-N 3.22Å; G23-G109 WeakPolarHBondContact O-CA 3.48Å
24V97.6Very high95.6Very high7 Ų734 Ų344%0.04217%0.172CC..  trans-76.2139.2177.9-178.80000109.4V19 F22 V27 L100 V106 D107 L112V19-V24 HydrophobicContact CG1-CB 3.74Å; V19-V24 HydrophobicContact CG1-CG1 3.85Å; V19-V24 WeakPolarHBondContact O-CB 3.28Å; V19-V24 PolarHBondContact O-N 2.75Å; F22-V24 HydrophobicContact CB-CG2 4.16Å; V24-V27 HydrophobicContact CG1-CB 4.29Å; V24-V27 HydrophobicContact CG1-CG2 4.04Å; V24-L100 HydrophobicContact CG1-CD2 4.25Å; V24-L100 HydrophobicContact CG2-CD1 4.31Å; V24-V106 HydrophobicContact CG1-CG1 3.73Å; V24-D107 WeakPolarHBondContact CA-O 3.46Å; V24-D107 WeakPolarHBondContact CG1-O 3.23Å; V24-L112 HydrophobicContact CG2-CD1 3.47Å; V24-L112 VanDerWaalsContact CG2-CD1 3.47Å; V24-L112 HydrophobicContact CG2-CG 4.21Å
25K95.3Very high94.9Very high128 Ų12835.5 Ų35.556%0.55718%0.18SC*.BIsolated β-bridgetrans-116.1148.7-178.2-50.8-164.6-156.5860112.9V27 D107K25-V27 VanDerWaalsContact C-N 3.3Å; K25-V27 PolarHBondContact O-N 3.13Å; K25-D107 HydrophobicContact CB-CB 4.2Å; K25-D107 WeakPolarHBondContact CD-OD2 3.43Å; K25-D107 WeakPolarHBondContact CG-OD2 3.24Å; K25-D107 PolarHBondContact N-O 3.12Å; K25-D107 IonicContact NZ-OD1 3.47Å; K25-D107 IonicContact NZ-OD2 3.42Å; K25-D107 PolarHBondContact NZ-OD2 3.43Å
26G95.5Very high94.1Very high24 Ų2441.5 Ų41.525%0.24721%0.208CC..SBendtrans7022.7172.400000114.9P235 D236G26-P235 CarbonylContact O-C 3.55Å; G26-P235 VanDerWaalsContact O-CA 3.27Å; G26-P235 WeakPolarHBondContact O-CA 3.48Å; G26-D236 PolarHBondContact O-N 2.92Å
27V97.4Very high93.2Very high3 Ų344 Ų442%0.01823%0.226CC..EExtended strand (participates in β ladder)trans-122.8143.8176.8177.90000109.7V19 V24 K25 Y44 L100 V106 V233 V234V19-V27 HydrophobicContact CG1-CB 3.91Å; V19-V27 HydrophobicContact CG1-CG1 4.09Å; V24-V27 HydrophobicContact CG1-CB 4.29Å; V24-V27 HydrophobicContact CG1-CG2 4.04Å; K25-V27 VanDerWaalsContact C-N 3.3Å; K25-V27 PolarHBondContact O-N 3.13Å; V27-Y44 HydrophobicContact CG2-CD2 4.45Å; V27-Y44 HydrophobicContact CG2-CE2 3.96Å; V27-L100 HydrophobicContact CG1-CD2 4.23Å; V27-V106 HydrophobicContact CG2-CG1 3.68Å; V27-V106 HydrophobicContact CG2-CG2 4.09Å; V27-V233 HydrophobicContact CG1-CG1 3.46Å; V27-V233 VanDerWaalsContact CG1-CG1 3.46Å; V27-V234 CarbonylContact C-O 3.59Å; V27-V234 WeakPolarHBondContact CA-O 3.31Å
28Q96.7Very high92.4Very high4 Ų448.9 Ų48.92%0.01925%0.247CC..EExtended strand (participates in β ladder)trans-138.4167.8167.671.8-173.740.100110.9T16 E30 V234 D236 E652T16-Q28 HydrophobicContact CG2-CB 3.84Å; Q28-E30 HydrophobicContact CG-CG 4.43Å; Q28-E30 PolarHBondContact NE2-OE1 3.17Å; Q28-V234 HydrophobicContact CG-CG2 3.81Å; Q28-V234 PolarHBondContact N-O 3.31Å; Q28-V234 PolarHBondContact O-N 3.23Å; Q28-V234 VanDerWaalsContact O-O 3.07Å; Q28-D236 PolarHBondContact OE1-OD1 3.34Å; Q28-E652 PolarHBondContact NE2-OE2 2.87Å; Q28-E652 VanDerWaalsContact NE2-OE2 3.08Å
29V97.6Very high91.5Very high1 Ų150 Ų501%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-117.9134.9180-178.50000109.4P12 F15 T16 V19 L96 M231 A232 V233P12-V29 HydrophobicContact CB-CG1 4.38Å; P12-V29 WeakPolarHBondContact CB-O 3.36Å; F15-V29 HydrophobicContact CB-CB 3.98Å; F15-V29 HydrophobicContact CB-CG1 3.95Å; F15-V29 HydrophobicContact CB-CG2 4.01Å; T16-V29 PolarHBondContact OG1-N 2.77Å; T16-V29 PolarHBondContact OG1-O 3.38Å; V19-V29 HydrophobicContact CG2-CG2 4.45Å; V29-L96 HydrophobicContact CG2-CD1 4.45Å; V29-M231 HydrophobicContact CG1-CB 3.7Å; V29-M231 HydrophobicContact CG1-CG 4.09Å; V29-M231 HydrophobicContact CG1-SD 3.74Å; V29-A232 WeakPolarHBondContact CA-O 3.47Å; V29-V233 HydrophobicContact CG2-CG2 4.38Å
30E95.2Very high90.4Very high27 Ų2757.5 Ų57.513%0.12629%0.289CS..EExtended strand (participates in β ladder)trans-131.1136.9-174.6-64.6-174.5174.100111.2Q28 M231 A232 V234 R237 K655Q28-E30 HydrophobicContact CG-CG 4.43Å; Q28-E30 PolarHBondContact NE2-OE1 3.17Å; E30-M231 CarbonylContact O-C 3.59Å; E30-M231 WeakPolarHBondContact O-CA 3.27Å; E30-A232 PolarHBondContact N-O 3.12Å; E30-A232 PolarHBondContact O-N 3.39Å; E30-V234 HydrophobicContact CG-CG2 3.83Å; E30-R237 WeakPolarHBondContact OE1-CD 3.48Å; E30-R237 IonicContact OE1-CZ 3.73Å; E30-R237 VanDerWaalsContact OE1-CZ 3.31Å; E30-R237 IonicContact OE1-NE 2.71Å; E30-R237 PolarHBondContact OE1-NE 2.68Å; E30-R237 IonicContact OE1-NH2 2.83Å; E30-R237 PolarHBondContact OE1-NH2 2.98Å; E30-R237 IonicContact OE2-CZ 2.91Å; E30-R237 IonicContact OE2-NE 3.75Å; E30-R237 PolarHBondContact OE2-NE 2.86Å; E30-R237 IonicContact OE2-NH2 3.8Å; E30-R237 PolarHBondContact OE2-NH2 2.94Å; E30-K655 IonicContact OE1-NZ 2.69Å
31E94.5Very high89.8Confident55 Ų5556.5 Ų56.526%0.25729%0.293SS..EExtended strand (participates in β ladder)trans-82.8135.8178-173.8174.1-163.200111.4P12 Y33 N229P12-E31 HydrophobicContact CB-CB 4.39Å; P12-E31 HydrophobicContact CG-CB 3.94Å; E31-Y33 HydrophobicContact CB-CE1 4.31Å; E31-Y33 HydrophobicContact CG-CD1 4.11Å; E31-Y33 HydrophobicContact CG-CE1 3.58Å; E31-Y33 WeakPolarHBondContact OE2-CE1 3.16Å; E31-Y33 PolarHBondContact OE2-OH 2.92Å; E31-N229 PolarHBondContact OE1-ND2 3.09Å
32I91.7Very high89.5Confident29 Ų2956.3 Ų56.315%0.14930%0.298CS..  trans-105.391.7-176-55.1-60.4000109.1F46 L230 A232I32-F46 HydrophobicContact CG1-CE1 4.39Å; I32-L230 HydrophobicContact CB-CB 4.29Å; I32-L230 HydrophobicContact CB-CD2 3.99Å; I32-L230 HydrophobicContact CB-CG 4.07Å; I32-L230 HydrophobicContact CG1-CD2 4.4Å; I32-L230 HydrophobicContact CG1-CG 4.31Å; I32-L230 HydrophobicContact CG2-CD2 4.01Å; I32-L230 PolarHBondContact N-O 3.33Å; I32-A232 HydrophobicContact CD1-CB 3.9Å; I32-A232 HydrophobicContact CG1-CB 4.02Å
33Y86.7Confident89.5Confident166 Ų16656.5 Ų56.565%0.65130%0.299SS*.SBendtrans-72.6-28.5178.7-56.3-64.4000114E31E31-Y33 HydrophobicContact CB-CE1 4.31Å; E31-Y33 HydrophobicContact CG-CD1 4.11Å; E31-Y33 HydrophobicContact CG-CE1 3.58Å; E31-Y33 WeakPolarHBondContact OE2-CE1 3.16Å; E31-Y33 PolarHBondContact OE2-OH 2.92Å
34D85Confident89.5Confident74 Ų7457 Ų5740%0.39629%0.293SS..  trans-124.5114.4179.317529.4000111.7Q36 S37D34-Q36 VanDerWaalsContact C-N 3.27Å; D34-Q36 PolarHBondContact O-N 2.9Å; D34-Q36 WeakPolarHBondContact OD1-CB 3.42Å; D34-Q36 PolarHBondContact OD1-N 3.2Å; D34-S37 PolarHBondContact O-OG 3.45Å; D34-S37 WeakPolarHBondContact OD2-CB 3.4Å; D34-S37 PolarHBondContact OD2-N 3.36Å
35L82.4Confident89.5Confident32 Ų3256.7 Ų56.717%0.16829%0.291CS..SBendtrans-70.7-18.7176.4-66170.5000113.5R207 I210 M211 I214 L230L35-R207 VanDerWaalsContact O-CD 3.32Å; L35-R207 WeakPolarHBondContact O-CD 3.33Å; L35-R207 PolarHBondContact O-NE 2.84Å; L35-I210 HydrophobicContact CD2-CG2 4.41Å; L35-M211 HydrophobicContact CB-CE 3.91Å; L35-I214 HydrophobicContact CD1-CD1 3.83Å; L35-L230 HydrophobicContact CD2-CD2 3.38Å
36Q80Confident89.6Confident126 Ų12650.6 Ų50.659%0.58926%0.264SS*.SBendtrans-80.3-36.6178.3-56-172.53.300110.9D34 Y223D34-Q36 VanDerWaalsContact C-N 3.27Å; D34-Q36 PolarHBondContact O-N 2.9Å; D34-Q36 WeakPolarHBondContact OD1-CB 3.42Å; D34-Q36 PolarHBondContact OD1-N 3.2Å; Q36-Y223 PolarHBondContact NE2-OH 3.22Å
37S79.3Confident89.7Confident53 Ų5349.5 Ų49.537%0.37125%0.252SS..SBendtrans-54.7141.3173.277.60000113.2D34 R207D34-S37 PolarHBondContact O-OG 3.45Å; D34-S37 WeakPolarHBondContact OD2-CB 3.4Å; D34-S37 PolarHBondContact OD2-N 3.36Å; S37-R207 PolarHBondContact O-NE 3.33Å; S37-R207 PolarHBondContact O-NH2 3.38Å
38K80.9Confident89.6Confident109 Ų10949.4 Ų49.447%0.47425%0.252SS..PPolyproline II helixtrans-82.5141.7168.2-81.1-167.4171.7-104.60110.3E201 D204K38-E201 IonicContact NZ-OE1 4Å; K38-E201 PolarHBondContact NZ-OE1 3.26Å; K38-D204 IonicContact NZ-OD1 3.85Å; K38-D204 IonicContact NZ-OD2 2.64Å; K38-D204 PolarHBondContact NZ-OD2 3.49Å
39C80Confident89.4Confident24 Ų2449.8 Ų49.816%0.16225%0.254CS..PPolyproline II helixtrans-67.8141176.8-65.10000111.2G41 V43C39-G41 VanDerWaalsContact C-N 3.3Å; C39-G41 PolarHBondContact O-N 3.37Å; C39-V43 HydrophobicContact CB-CG2 3.58Å
40Q75.6Confident88.9Confident156 Ų15651.2 Ų51.273%0.72926%0.26SS*.SBendtrans-88.356.6-171.2-66.4-170.41200114.2K240Q40-K240 PolarHBondContact O-NZ 2.95Å
41G83.2Confident88.4Confident33 Ų3351.8 Ų51.834%0.3426%0.262SS..SBendtrans134.7-169.9178.600000112.4C39 V43C39-G41 VanDerWaalsContact C-N 3.3Å; C39-G41 PolarHBondContact O-N 3.37Å; G41-V43 PolarHBondContact O-N 3.18Å
42P92.1Very high87.4Confident96 Ų9652.9 Ų52.962%0.62326%0.264SS*.  trans-63.7135.1179.527.9-35.2000111P235P42-P235 HydrophobicContact CG-CG 3.98Å; P42-P235 WeakPolarHBondContact O-CD 3.26Å
43V95.3Very high86.4Confident10 Ų1053.9 Ų53.96%0.06127%0.269CS..  trans-109.2139.7172-178.10000107.7C39 G41 G45 F46 W202 T203 A232 V234C39-V43 HydrophobicContact CB-CG2 3.58Å; G41-V43 PolarHBondContact O-N 3.18Å; V43-G45 WeakPolarHBondContact CG1-O 3.31Å; V43-F46 HydrophobicContact CG1-CE1 4.26Å; V43-F46 HydrophobicContact CG1-CE2 4.29Å; V43-F46 HydrophobicContact CG1-CZ 4.1Å; V43-W202 HydrophobicContact CB-CH2 4.43Å; V43-W202 HydrophobicContact CB-CZ2 3.75Å; V43-W202 HydrophobicContact CG1-CH2 3.99Å; V43-W202 HydrophobicContact CG1-CZ2 3.77Å; V43-W202 WeakPolarHBondContact O-CZ2 3.27Å; V43-T203 HydrophobicContact CB-CG2 4.15Å; V43-T203 HydrophobicContact CG2-CG2 4.15Å; V43-A232 HydrophobicContact CG1-CB 4.05Å; V43-V234 HydrophobicContact CB-CG1 4.5Å; V43-V234 HydrophobicContact CG1-CG1 4.42Å; V43-V234 HydrophobicContact CG2-CG1 4.1Å
44Y96.9Very high85.4Confident41 Ų4150.3 Ų50.316%0.16126%0.258CS..  trans-87.7-35.1177.6-69.4-62.1000112.5V27 C103 N105 V106 V233 P235V27-Y44 HydrophobicContact CG2-CD2 4.45Å; V27-Y44 HydrophobicContact CG2-CE2 3.96Å; Y44-C103 HydrophobicContact CD1-CB 4.46Å; Y44-N105 HydrophobicContact CE1-CB 4.42Å; Y44-N105 WeakPolarHBondContact CE1-O 3.49Å; Y44-N105 PolarHBondContact OH-O 3.46Å; Y44-V106 HydrophobicContact CD1-CG2 3.8Å; Y44-V106 HydrophobicContact CD2-CG2 4.37Å; Y44-V106 HydrophobicContact CE1-CG2 3.38Å; Y44-V106 HydrophobicContact CE2-CG2 4.01Å; Y44-V106 HydrophobicContact CG-CG2 4.27Å; Y44-V106 VanDerWaalsContact CZ-CG2 3.48Å; Y44-V233 WeakPolarHBondContact CB-O 3.43Å; Y44-V233 HydrophobicContact CD2-CG1 4.3Å; Y44-V233 PolarHBondContact N-O 3.4Å; Y44-P235 HydrophobicContact CE2-CB 4.32Å; Y44-P235 HydrophobicContact CE2-CG 3.7Å
45G97.4Very high84Confident0 Ų052 Ų520%026%0.264CS..EExtended strand (participates in β ladder)trans-179.3165.6177.200000110.4V43 Y173 V233V43-G45 WeakPolarHBondContact CG1-O 3.31Å; G45-Y173 CarbonylContact C-O 3.53Å; G45-Y173 VanDerWaalsContact CA-O 3.24Å; G45-Y173 WeakPolarHBondContact CA-O 3.32Å; G45-V233 PolarHBondContact O-N 2.99Å
46F97.5Very high82.8Confident0 Ų056 Ų560%028%0.277CS..EExtended strand (participates in β ladder)trans-106.8148.7168.7-61.3-84.1000111I32 V43 S172 Y173 W202 A206 I210 L230 M231 A232I32-F46 HydrophobicContact CG1-CE1 4.39Å; V43-F46 HydrophobicContact CG1-CE1 4.26Å; V43-F46 HydrophobicContact CG1-CE2 4.29Å; V43-F46 HydrophobicContact CG1-CZ 4.1Å; F46-S172 CarbonylContact O-C 3.59Å; F46-S172 VanDerWaalsContact O-CA 3.3Å; F46-S172 WeakPolarHBondContact O-CA 3.19Å; F46-Y173 PolarHBondContact N-O 3.41Å; F46-Y173 PolarHBondContact O-N 2.9Å; F46-W202 AromaticContact CD2-CH2 3.51Å; F46-W202 HydrophobicContact CD2-CH2 3.51Å; F46-W202 AromaticContact CD2-CZ3 3.62Å; F46-W202 HydrophobicContact CD2-CZ3 3.62Å; F46-W202 AromaticContact CE2-CH2 3.46Å; F46-W202 HydrophobicContact CE2-CH2 3.46Å; F46-W202 VanDerWaalsContact CE2-CH2 3.46Å; F46-W202 HydrophobicContact CE2-CZ2 4.3Å; F46-W202 AromaticContact CE2-CZ3 3.63Å; F46-W202 HydrophobicContact CE2-CZ3 3.63Å; F46-A206 HydrophobicContact CD2-CB 3.92Å; F46-A206 HydrophobicContact CE2-CB 3.84Å; F46-I210 HydrophobicContact CB-CD1 4.48Å; F46-L230 HydrophobicContact CB-CD1 3.87Å; F46-L230 HydrophobicContact CD1-CD1 4.19Å; F46-L230 HydrophobicContact CD1-CD2 4.34Å; F46-L230 HydrophobicContact CD1-CG 4.31Å; F46-L230 HydrophobicContact CG-CD1 4.33Å; F46-M231 CarbonylContact C-O 3.59Å; F46-M231 VanDerWaalsContact CA-O 3.27Å; F46-M231 WeakPolarHBondContact CA-O 3.25Å; F46-A232 HydrophobicContact CD1-CB 3.82Å; F46-A232 HydrophobicContact CE1-CB 3.81Å
47I97.5Very high81.6Confident0 Ų053.4 Ų53.40%026%0.261CS..EExtended strand (participates in β ladder)trans-116111.9171.2-64.8173.3000106.5F15 A95 L96 V99 F170 M231 V233F15-I47 HydrophobicContact CD1-CD1 4.15Å; F15-I47 HydrophobicContact CE1-CD1 4.15Å; F15-I47 HydrophobicContact CE1-CG2 4.35Å; I47-A95 HydrophobicContact CG2-CB 4.11Å; I47-L96 HydrophobicContact CD1-CB 4.19Å; I47-L96 HydrophobicContact CD1-CD1 3.98Å; I47-V99 HydrophobicContact CG1-CG2 4.04Å; I47-F170 HydrophobicContact CG2-CB 4.45Å; I47-F170 HydrophobicContact CG2-CD1 3.57Å; I47-F170 HydrophobicContact CG2-CE1 4.27Å; I47-F170 HydrophobicContact CG2-CG 4.4Å; I47-M231 HydrophobicContact CB-CB 4.43Å; I47-M231 HydrophobicContact CG2-CE 4.25Å; I47-M231 PolarHBondContact N-O 3.49Å; I47-M231 PolarHBondContact O-N 2.92Å; I47-V233 HydrophobicContact CD1-CG2 3.85Å; I47-V233 HydrophobicContact CG1-CG2 4.21Å
48F95.4Very high80.2Confident1 Ų152.7 Ų52.70%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-105.2122.7-179.2179.4-119.2000110.5F50 F170 V171 Y173 I210 R213 I214 F228 N229 L230F48-F50 AromaticContact CD1-CD1 3.7Å; F48-F50 HydrophobicContact CD1-CD1 3.7Å; F48-F50 HydrophobicContact CD1-CE1 4.33Å; F48-F50 HydrophobicContact CE1-CB 4.04Å; F48-F50 AromaticContact CE1-CD1 3.63Å; F48-F50 HydrophobicContact CE1-CD1 3.63Å; F48-F50 HydrophobicContact CE1-CG 4.18Å; F48-F50 HydrophobicContact CZ-CB 4.28Å; F48-F170 WeakPolarHBondContact O-CA 3.48Å; F48-V171 PolarHBondContact N-O 3.4Å; F48-V171 PolarHBondContact O-N 3.21Å; F48-Y173 HydrophobicContact CB-CD2 4.2Å; F48-Y173 HydrophobicContact CB-CE2 3.87Å; F48-Y173 HydrophobicContact CD1-CE2 4.38Å; F48-Y173 HydrophobicContact CG-CE2 4.42Å; F48-I210 HydrophobicContact CD2-CG2 3.95Å; F48-I210 HydrophobicContact CE2-CG2 3.96Å; F48-I210 HydrophobicContact CG-CG2 4.43Å; F48-I210 HydrophobicContact CZ-CG2 4.45Å; F48-R213 HydrophobicContact CE1-CG 4.38Å; F48-I214 HydrophobicContact CE2-CD1 3.92Å; F48-I214 HydrophobicContact CE2-CG1 4.06Å; F48-I214 HydrophobicContact CZ-CD1 4.16Å; F48-I214 HydrophobicContact CZ-CG1 3.78Å; F48-F228 HydrophobicContact CE1-CD1 4.4Å; F48-F228 HydrophobicContact CE2-CB 4.15Å; F48-F228 HydrophobicContact CE2-CD1 4.02Å; F48-F228 HydrophobicContact CE2-CG 4.4Å; F48-F228 HydrophobicContact CZ-CB 4.46Å; F48-F228 AromaticContact CZ-CD1 3.49Å; F48-F228 HydrophobicContact CZ-CD1 3.49Å; F48-F228 VanDerWaalsContact CZ-CD1 3.49Å; F48-F228 HydrophobicContact CZ-CE1 4.06Å; F48-F228 HydrophobicContact CZ-CG 4.23Å; F48-N229 VanDerWaalsContact CD2-O 3.32Å; F48-N229 WeakPolarHBondContact CD2-O 3.46Å; F48-L230 HydrophobicContact CB-CD1 4.04Å; F48-L230 HydrophobicContact CD2-CB 4.47Å; F48-L230 HydrophobicContact CD2-CD1 4.17Å
49L93.1Very high78.8Confident13 Ų1356.8 Ų56.87%0.06827%0.269CS..EExtended strand (participates in β ladder)trans-100.6136.5173.6-173.561.4000110.3S10 F168 H169 F170 F228 N229S10-L49 WeakPolarHBondContact OG-CD2 3.33Å; L49-F168 HydrophobicContact CD1-CB 3.58Å; L49-F168 HydrophobicContact CD2-CB 4.27Å; L49-F168 HydrophobicContact CD2-CD1 4.3Å; L49-F168 HydrophobicContact CG-CB 4.07Å; L49-F168 HydrophobicContact CG-CD1 4.18Å; L49-H169 VanDerWaalsContact CD1-C 3.48Å; L49-H169 WeakPolarHBondContact CD1-O 3.39Å; L49-F170 HydrophobicContact CB-CD1 3.93Å; L49-F170 HydrophobicContact CB-CE1 3.85Å; L49-F170 HydrophobicContact CD1-CD1 3.67Å; L49-F170 HydrophobicContact CD1-CD2 3.81Å; L49-F170 HydrophobicContact CD1-CE1 3.66Å; L49-F170 HydrophobicContact CD1-CE2 3.79Å; L49-F170 HydrophobicContact CD1-CG 3.76Å; L49-F170 HydrophobicContact CD1-CZ 3.71Å; L49-F170 HydrophobicContact CD2-CE1 3.93Å; L49-F170 HydrophobicContact CD2-CZ 3.92Å; L49-F170 HydrophobicContact CG-CD1 4.3Å; L49-F170 HydrophobicContact CG-CE1 4.02Å; L49-F170 HydrophobicContact CG-CZ 4.29Å; L49-F228 WeakPolarHBondContact O-CA 3.39Å; L49-N229 HydrophobicContact CB-CB 3.83Å; L49-N229 HydrophobicContact CD2-CB 4.19Å; L49-N229 PolarHBondContact N-O 3.18Å; L49-N229 PolarHBondContact O-N 3.14Å
50F88.1Confident77.4Confident30 Ų3064.6 Ų64.613%0.13230%0.295CS..EExtended strand (participates in β ladder)trans-140.3150.5169.554.7-82.4000111F48 W52 F168 H169 V171 R213 F228F48-F50 AromaticContact CD1-CD1 3.7Å; F48-F50 HydrophobicContact CD1-CD1 3.7Å; F48-F50 HydrophobicContact CD1-CE1 4.33Å; F48-F50 HydrophobicContact CE1-CB 4.04Å; F48-F50 AromaticContact CE1-CD1 3.63Å; F48-F50 HydrophobicContact CE1-CD1 3.63Å; F48-F50 HydrophobicContact CE1-CG 4.18Å; F48-F50 HydrophobicContact CZ-CB 4.28Å; F50-W52 PolarHBondContact O-N 3.13Å; F50-F168 WeakPolarHBondContact O-CA 3.18Å; F50-H169 HydrophobicContact CE2-CB 4.37Å; F50-H169 HydrophobicContact CZ-CB 4.28Å; F50-H169 AromaticContact CZ-CD2 3.88Å; F50-H169 PolarHBondContact N-O 3.25Å; F50-H169 VanDerWaalsContact N-O 3.13Å; F50-H169 PolarHBondContact O-N 3.43Å; F50-V171 HydrophobicContact CE1-CB 4.13Å; F50-V171 HydrophobicContact CE1-CG2 3.56Å; F50-V171 HydrophobicContact CZ-CG2 3.95Å; F50-R213 VanDerWaalsContact CZ-NH2 3.28Å; F50-F228 HydrophobicContact CB-CD1 3.58Å; F50-F228 HydrophobicContact CB-CE1 3.57Å
51K84Confident75.9Confident39 Ų3965.5 Ų65.517%0.1730%0.297CS..EExtended strand (participates in β ladder)trans-57.2122167.4179.3177.4173.7176.40110.2I53 E166 F168 R227K51-I53 HydrophobicContact CD-CD1 4.44Å; K51-I53 HydrophobicContact CD-CG1 4.33Å; K51-I53 HydrophobicContact CG-CD1 4.45Å; K51-I53 HydrophobicContact CG-CG1 4.03Å; K51-E166 HydrophobicContact CD-CB 4.43Å; K51-E166 WeakPolarHBondContact CD-OE2 3.27Å; K51-E166 VanDerWaalsContact CE-CD 3.45Å; K51-E166 WeakPolarHBondContact CE-OE2 3.39Å; K51-E166 IonicContact NZ-OE1 2.69Å; K51-E166 PolarHBondContact NZ-OE1 3.22Å; K51-E166 IonicContact NZ-OE2 3.51Å; K51-E166 PolarHBondContact NZ-OE2 3.35Å; K51-F168 HydrophobicContact CB-CD1 4.08Å; K51-F168 HydrophobicContact CB-CE1 3.85Å; K51-F168 HydrophobicContact CB-CZ 4.39Å; K51-R227 HydrophobicContact CB-CB 4.15Å; K51-R227 PolarHBondContact N-O 3.14Å
52W73.9Confident73.8Confident79 Ų7968.2 Ų68.230%0.29931%0.306SS..  trans-75.9126.4175.9-171.984.9000109.5F50 E54 A167 H169F50-W52 PolarHBondContact O-N 3.13Å; W52-E54 HydrophobicContact CE3-CB 4.37Å; W52-E54 HydrophobicContact CH2-CB 3.74Å; W52-E54 HydrophobicContact CH2-CG 4.05Å; W52-E54 WeakPolarHBondContact CH2-OE2 3.27Å; W52-E54 HydrophobicContact CZ2-CB 4.37Å; W52-E54 WeakPolarHBondContact CZ2-OE2 3.48Å; W52-E54 HydrophobicContact CZ3-CB 3.74Å; W52-E54 HydrophobicContact CZ3-CG 4.47Å; W52-A167 HydrophobicContact CB-CB 4.3Å; W52-A167 WeakPolarHBondContact CB-O 3.3Å; W52-A167 HydrophobicContact CE3-CB 4.18Å; W52-A167 PolarHBondContact N-O 2.78Å; W52-H169 HydrophobicContact CB-CB 4.16Å; W52-H169 HydrophobicContact CG-CB 4.43Å
53I70.4Confident71.6Confident50 Ų5068.2 Ų68.226%0.25631%0.309SS..  trans-129.796-173.6-60.9171.2000108.4K51 E55 R56K51-I53 HydrophobicContact CD-CD1 4.44Å; K51-I53 HydrophobicContact CD-CG1 4.33Å; K51-I53 HydrophobicContact CG-CD1 4.45Å; K51-I53 HydrophobicContact CG-CG1 4.03Å; I53-E55 HydrophobicContact CG2-CB 4.25Å; I53-E55 PolarHBondContact O-N 2.99Å; I53-R56 HydrophobicContact CB-CG 4.27Å; I53-R56 HydrophobicContact CG2-CB 4.37Å; I53-R56 HydrophobicContact CG2-CG 3.88Å; I53-R56 WeakPolarHBondContact O-CB 3.39Å; I53-R56 PolarHBondContact O-N 2.98Å
54E65.7Low69.3Low90 Ų9074 Ų7442%0.42134%0.344SS..Hα-helixtrans-61.7-25.7-177.5-17950.7-160.600113W52 R56 R57 S58W52-E54 HydrophobicContact CE3-CB 4.37Å; W52-E54 HydrophobicContact CH2-CB 3.74Å; W52-E54 HydrophobicContact CH2-CG 4.05Å; W52-E54 WeakPolarHBondContact CH2-OE2 3.27Å; W52-E54 HydrophobicContact CZ2-CB 4.37Å; W52-E54 WeakPolarHBondContact CZ2-OE2 3.48Å; W52-E54 HydrophobicContact CZ3-CB 3.74Å; W52-E54 HydrophobicContact CZ3-CG 4.47Å; E54-R56 PolarHBondContact O-N 2.97Å; E54-R57 PolarHBondContact O-N 3.02Å; E54-S58 VanDerWaalsContact O-CB 3.31Å; E54-S58 WeakPolarHBondContact O-CB 3.08Å; E54-S58 PolarHBondContact O-N 3.1Å; E54-S58 PolarHBondContact O-OG 3.42Å
55E55Low67.1Low109 Ų10978 Ų7851%0.50937%0.367SS..Hα-helixtrans-63-28.4172.2-153.2-164146.400112.4I53 S58 R59I53-E55 HydrophobicContact CG2-CB 4.25Å; I53-E55 PolarHBondContact O-N 2.99Å; E55-S58 WeakPolarHBondContact CA-OG 3.41Å; E55-R59 VanDerWaalsContact O-CB 3.29Å; E55-R59 WeakPolarHBondContact O-CB 3.3Å; E55-R59 VanDerWaalsContact O-CG 3.26Å; E55-R59 WeakPolarHBondContact O-CG 3.41Å; E55-R59 PolarHBondContact O-N 3.13Å; E55-R59 IonicContact OE1-CZ 2.68Å; E55-R59 IonicContact OE1-NE 3.27Å; E55-R59 PolarHBondContact OE1-NE 2.66Å; E55-R59 IonicContact OE1-NH2 3.32Å; E55-R59 PolarHBondContact OE1-NH2 3.13Å
56R57.9Low65.4Low118 Ų11880.4 Ų80.445%0.44538%0.382SS..Hα-helixtrans-76-40.3177.7-71.5177.9169172.7-8111.6I53 E54 R60 A217I53-R56 HydrophobicContact CB-CG 4.27Å; I53-R56 HydrophobicContact CG2-CB 4.37Å; I53-R56 HydrophobicContact CG2-CG 3.88Å; I53-R56 WeakPolarHBondContact O-CB 3.39Å; I53-R56 PolarHBondContact O-N 2.98Å; E54-R56 PolarHBondContact O-N 2.97Å; R56-R60 WeakPolarHBondContact O-CG 3.37Å; R56-R60 PolarHBondContact O-N 3.42Å; R56-A217 PolarHBondContact NH1-O 3.31Å; R56-A217 PolarHBondContact NH2-O 3.3Å
57R55.1Low64Low70 Ų7084.4 Ų84.426%0.26440%0.404SS..Hα-helixtrans-69.4-44.8172.3-76.4-174.6174.9174.8-1.8111.3E54 R59 R60 D184E54-R57 PolarHBondContact O-N 3.02Å; R57-R59 PolarHBondContact O-N 3.06Å; R57-R60 CarbonylContact O-C 3.03Å; R57-R60 VanDerWaalsContact O-CA 3.31Å; R57-R60 WeakPolarHBondContact O-CA 3.33Å; R57-R60 WeakPolarHBondContact O-CB 3.21Å; R57-R60 PolarHBondContact O-N 2.93Å; R57-D184 IonicContact NH2-OD1 3.86Å; R57-D184 IonicContact NH2-OD2 2.68Å; R57-D184 PolarHBondContact NH2-OD2 2.94Å
58S48.9Very low63Low39 Ų3992.9 Ų92.927%0.27345%0.449SS..Hα-helixtrans-74.8-15.7-179.662.70000115.5E54 E55 K61E54-S58 VanDerWaalsContact O-CB 3.31Å; E54-S58 WeakPolarHBondContact O-CB 3.08Å; E54-S58 PolarHBondContact O-N 3.1Å; E54-S58 PolarHBondContact O-OG 3.42Å; E55-S58 WeakPolarHBondContact CA-OG 3.41Å; S58-K61 WeakPolarHBondContact O-CB 3.47Å; S58-K61 VanDerWaalsContact O-CD 3.28Å; S58-K61 WeakPolarHBondContact O-CD 3.35Å; S58-K61 VanDerWaalsContact O-CG 3.23Å; S58-K61 WeakPolarHBondContact O-CG 3.07Å
59R51Low62.6Low195 Ų19596.1 Ų96.174%0.73647%0.469SS*.Hα-helixtrans-77.3-37.5161.2-78.1179.1-174.5-102.22.5112.1E55 R57 K61E55-R59 VanDerWaalsContact O-CB 3.29Å; E55-R59 WeakPolarHBondContact O-CB 3.3Å; E55-R59 VanDerWaalsContact O-CG 3.26Å; E55-R59 WeakPolarHBondContact O-CG 3.41Å; E55-R59 PolarHBondContact O-N 3.13Å; E55-R59 IonicContact OE1-CZ 2.68Å; E55-R59 IonicContact OE1-NE 3.27Å; E55-R59 PolarHBondContact OE1-NE 2.66Å; E55-R59 IonicContact OE1-NH2 3.32Å; E55-R59 PolarHBondContact OE1-NH2 3.13Å; R57-R59 PolarHBondContact O-N 3.06Å; R59-K61 PolarHBondContact O-N 3.27Å
60R52.2Low62.6Low188 Ų18896.5 Ų96.571%0.70947%0.473SS*.SBendtrans-7555.2164.2-62.9-177-165.6165.41.4110.5R56 R57 V62 S63R56-R60 WeakPolarHBondContact O-CG 3.37Å; R56-R60 PolarHBondContact O-N 3.42Å; R57-R60 CarbonylContact O-C 3.03Å; R57-R60 VanDerWaalsContact O-CA 3.31Å; R57-R60 WeakPolarHBondContact O-CA 3.33Å; R57-R60 WeakPolarHBondContact O-CB 3.21Å; R57-R60 PolarHBondContact O-N 2.93Å; R60-V62 CarbonylContact O-C 3.52Å; R60-V62 PolarHBondContact O-N 3.38Å; R60-S63 PolarHBondContact O-N 3.39Å
61K43.7Very low62.8Low175 Ų17596 Ų9676%0.76147%0.472SS*.  trans-72.628.9-177.2-121.2172.3-167.6174.50114.5S58 R59S58-K61 WeakPolarHBondContact O-CB 3.47Å; S58-K61 VanDerWaalsContact O-CD 3.28Å; S58-K61 WeakPolarHBondContact O-CD 3.35Å; S58-K61 VanDerWaalsContact O-CG 3.23Å; S58-K61 WeakPolarHBondContact O-CG 3.07Å; R59-K61 PolarHBondContact O-N 3.27Å
62V38.6Very low63.1Low89 Ų8998.5 Ų98.554%0.53949%0.486SS..  trans-121.745.9165.4-155.60000107.3R60 T64 L65R60-V62 CarbonylContact O-C 3.52Å; R60-V62 PolarHBondContact O-N 3.38Å; V62-T64 PolarHBondContact O-N 3.15Å; V62-L65 HydrophobicContact CB-CB 4.42Å; V62-L65 HydrophobicContact CG1-CB 3.84Å; V62-L65 HydrophobicContact CG1-CD1 4.01Å; V62-L65 HydrophobicContact CG1-CG 3.99Å; V62-L65 WeakPolarHBondContact O-CB 3.46Å; V62-L65 PolarHBondContact O-N 3.46Å
63S46.7Very low64Low96 Ų9698.6 Ų98.667%0.67149%0.493SS*.THydrogen-bonded Turntrans-72.116.1178.9-166.80000113.5R60R60-S63 PolarHBondContact O-N 3.39Å
64T46.8Very low65.1Low131 Ų131101 Ų10180%0.80451%0.506SS*.THydrogen-bonded Turntrans-117.90.3168.459.20000111.7V62 V66V62-T64 PolarHBondContact O-N 3.15Å; T64-V66 PolarHBondContact O-N 3.36Å
65L50.4Low66.4Low125 Ų125102.5 Ų102.565%0.65452%0.517SS*.SBendtrans-70.5117.1156.2-118.2174.6000105.6V62 D67V62-L65 HydrophobicContact CB-CB 4.42Å; V62-L65 HydrophobicContact CG1-CB 3.84Å; V62-L65 HydrophobicContact CG1-CD1 4.01Å; V62-L65 HydrophobicContact CG1-CG 3.99Å; V62-L65 WeakPolarHBondContact O-CB 3.46Å; V62-L65 PolarHBondContact O-N 3.46Å; L65-D67 PolarHBondContact O-N 3.03Å
66V61.4Low68.3Low51 Ų51101.2 Ų101.231%0.30951%0.513SS..PPolyproline II helixtrans-64.9121.7167-178.20000106.3T64 S70 I72 Y189T64-V66 PolarHBondContact O-N 3.36Å; V66-S70 VanDerWaalsContact CG1-CB 3.41Å; V66-I72 HydrophobicContact CG1-CD1 3.83Å; V66-I72 HydrophobicContact CG1-CG1 3.89Å; V66-Y189 HydrophobicContact CG2-CE2 4.3Å
67D67.8Low70Confident85 Ų8595.7 Ų95.746%0.45549%0.492SS..PPolyproline II helixtrans-60138.4171.6-69.5-42.5000107.5L65 T69 S70 I191L65-D67 PolarHBondContact O-N 3.03Å; D67-T69 PolarHBondContact O-N 3.28Å; D67-S70 PolarHBondContact N-OG 2.99Å; D67-S70 VanDerWaalsContact O-CB 3.28Å; D67-S70 WeakPolarHBondContact O-CB 3.18Å; D67-S70 PolarHBondContact O-N 2.81Å; D67-S70 PolarHBondContact O-OG 2.89Å; D67-I191 HydrophobicContact CB-CD1 4.42Å
68D77.4Confident71.9Confident177 Ų17793.8 Ų93.895%0.94749%0.487SS*.THydrogen-bonded Turntrans-57.7-14.8-174.8-62.3-46.4000114.2
69T87.5Confident74Confident69 Ų6998.1 Ų98.142%0.42351%0.507SS..THydrogen-bonded Turntrans-93.62.817651.80000114.1D67 I191 D192D67-T69 PolarHBondContact O-N 3.28Å; T69-I191 WeakPolarHBondContact O-CA 2.94Å; T69-I191 WeakPolarHBondContact OG1-CG2 3.42Å; T69-D192 WeakPolarHBondContact CB-O 3.48Å; T69-D192 PolarHBondContact O-N 2.96Å
70S91.2Very high76.1Confident22 Ų2289.5 Ų89.515%0.15448%0.475CS..BIsolated β-bridgetrans-81.7135.1-179.8-45.10000111.4V66 D67 I72V66-S70 VanDerWaalsContact CG1-CB 3.41Å; D67-S70 PolarHBondContact N-OG 2.99Å; D67-S70 VanDerWaalsContact O-CB 3.28Å; D67-S70 WeakPolarHBondContact O-CB 3.18Å; D67-S70 PolarHBondContact O-N 2.81Å; D67-S70 PolarHBondContact O-OG 2.89Å; S70-I72 PolarHBondContact O-N 3.47Å
71V92.3Very high78.3Confident18 Ų1881.1 Ų81.111%0.10944%0.444CS..  trans-86106.8172-176.30000109.7D73 I76 V77 F181 Y189 P190 D192V71-D73 HydrophobicContact CG1-CB 4.17Å; V71-I76 HydrophobicContact CG1-CB 3.87Å; V71-I76 HydrophobicContact CG1-CD1 4.37Å; V71-I76 HydrophobicContact CG1-CG2 3.83Å; V71-V77 HydrophobicContact CB-CG2 4.32Å; V71-V77 HydrophobicContact CG1-CG2 4.01Å; V71-V77 VanDerWaalsContact O-CG2 3.23Å; V71-V77 WeakPolarHBondContact O-CG2 3.43Å; V71-F181 HydrophobicContact CG2-CE1 3.88Å; V71-Y189 VanDerWaalsContact O-CD1 3.3Å; V71-Y189 WeakPolarHBondContact O-CD1 3.41Å; V71-P190 HydrophobicContact CB-CG 4.33Å; V71-P190 PolarHBondContact N-O 3.23Å; V71-D192 HydrophobicContact CG2-CB 3.85Å
72I92.1Very high80.9Confident92 Ų9272.8 Ų72.847%0.47241%0.408SS..  trans-85.1-21.2178-34.7178.6000111.7V66 S70 D74 Y189V66-I72 HydrophobicContact CG1-CD1 3.83Å; V66-I72 HydrophobicContact CG1-CG1 3.89Å; S70-I72 PolarHBondContact O-N 3.47Å; I72-D74 PolarHBondContact O-N 3.1Å; I72-D74 VanDerWaalsContact O-N 3.12Å; I72-Y189 HydrophobicContact CB-CE1 4.49Å; I72-Y189 HydrophobicContact CG2-CE1 3.91Å; I72-Y189 HydrophobicContact CG2-CE2 4.36Å
73D92.9Very high83.7Confident81 Ų8168.6 Ų68.643%0.43338%0.382SS..  trans-66.1107.7-175.3-173.4-42.8000111V71 D75 I76 V77V71-D73 HydrophobicContact CG1-CB 4.17Å; D73-D75 VanDerWaalsContact C-N 3.26Å; D73-D75 PolarHBondContact O-N 2.68Å; D73-D75 WeakPolarHBondContact OD1-CB 3.46Å; D73-D75 PolarHBondContact OD1-N 3.05Å; D73-I76 HydrophobicContact CB-CB 4.18Å; D73-I76 HydrophobicContact CB-CD1 3.88Å; D73-I76 HydrophobicContact CB-CG1 3.98Å; D73-I76 PolarHBondContact O-N 3.46Å; D73-I76 VanDerWaalsContact O-N 3.13Å; D73-I76 PolarHBondContact OD1-N 2.98Å; D73-V77 VanDerWaalsContact O-CG2 3.31Å; D73-V77 WeakPolarHBondContact O-CG2 3.32Å; D73-V77 PolarHBondContact O-N 3.25Å
74D93Very high86.1Confident100 Ų10065.9 Ų65.954%0.53536%0.359SS..Hα-helixtrans-58.5-33.6-178-82.5-43.1000112.5I72 V77 N78I72-D74 PolarHBondContact O-N 3.1Å; I72-D74 VanDerWaalsContact O-N 3.12Å; D74-V77 PolarHBondContact O-N 3.34Å; D74-N78 WeakPolarHBondContact O-CB 3.41Å; D74-N78 PolarHBondContact O-N 3.11Å; D74-N78 PolarHBondContact O-ND2 2.99Å
75D93.4Very high88.4Confident122 Ų12260.9 Ų60.965%0.65233%0.327SS*.Hα-helixtrans-68.7-40.6177.8-80.1-31000110.5D73 N79D73-D75 VanDerWaalsContact C-N 3.26Å; D73-D75 PolarHBondContact O-N 2.68Å; D73-D75 WeakPolarHBondContact OD1-CB 3.46Å; D73-D75 PolarHBondContact OD1-N 3.05Å; D75-N79 VanDerWaalsContact O-CB 3.32Å; D75-N79 WeakPolarHBondContact O-CB 3.38Å; D75-N79 PolarHBondContact O-N 3Å; D75-N79 VanDerWaalsContact O-N 3.14Å; D75-N79 PolarHBondContact O-ND2 3.22Å
76I93.4Very high90.4Very high83 Ų8357.9 Ų57.943%0.42631%0.311SS..Hα-helixtrans-67.6-43.7175.8-56.6178000110.7V71 D73 M80V71-I76 HydrophobicContact CG1-CB 3.87Å; V71-I76 HydrophobicContact CG1-CD1 4.37Å; V71-I76 HydrophobicContact CG1-CG2 3.83Å; D73-I76 HydrophobicContact CB-CB 4.18Å; D73-I76 HydrophobicContact CB-CD1 3.88Å; D73-I76 HydrophobicContact CB-CG1 3.98Å; D73-I76 PolarHBondContact O-N 3.46Å; D73-I76 VanDerWaalsContact O-N 3.13Å; D73-I76 PolarHBondContact OD1-N 2.98Å; I76-M80 HydrophobicContact CG2-CE 3.98Å; I76-M80 PolarHBondContact O-N 2.92Å
77V95.1Very high91.8Very high2 Ų257.6 Ų57.61%0.01231%0.307CS..Hα-helixtrans-67.4-38.1180174.30000112.3V71 D73 D74 M80 F82 P124 P190V71-V77 HydrophobicContact CB-CG2 4.32Å; V71-V77 HydrophobicContact CG1-CG2 4.01Å; V71-V77 VanDerWaalsContact O-CG2 3.23Å; V71-V77 WeakPolarHBondContact O-CG2 3.43Å; D73-V77 VanDerWaalsContact O-CG2 3.31Å; D73-V77 WeakPolarHBondContact O-CG2 3.32Å; D73-V77 PolarHBondContact O-N 3.25Å; D74-V77 PolarHBondContact O-N 3.34Å; V77-M80 VanDerWaalsContact O-CG 3.3Å; V77-M80 WeakPolarHBondContact O-CG 3.39Å; V77-M80 VanDerWaalsContact O-O 3.14Å; V77-F82 HydrophobicContact CG1-CD1 4.05Å; V77-P124 HydrophobicContact CG1-CG 3.45Å; V77-P124 VanDerWaalsContact CG1-CG 3.45Å; V77-P190 HydrophobicContact CG2-CG 3.88Å
78N94.4Very high92.8Very high29 Ų2957.9 Ų57.916%0.15531%0.314CS..Hα-helixtrans-79.1-26.6-177.6-66.2-30.4000112.7D74 G121 F122 S123 K127D74-N78 WeakPolarHBondContact O-CB 3.41Å; D74-N78 PolarHBondContact O-N 3.11Å; D74-N78 PolarHBondContact O-ND2 2.99Å; N78-G121 PolarHBondContact O-N 3.47Å; N78-F122 PolarHBondContact OD1-O 2.88Å; N78-F122 VanDerWaalsContact OD1-O 3.13Å; N78-S123 WeakPolarHBondContact OD1-CA 3.47Å; N78-K127 PolarHBondContact O-NZ 3.16Å
79N93.9Very high93.5Very high131 Ų13152.7 Ų52.770%0.70129%0.286SS*.Hα-helixtrans-72.2-31.6172.1-83.7-59.3000113.6D75D75-N79 VanDerWaalsContact O-CB 3.32Å; D75-N79 WeakPolarHBondContact O-CB 3.38Å; D75-N79 PolarHBondContact O-N 3Å; D75-N79 VanDerWaalsContact O-N 3.14Å; D75-N79 PolarHBondContact O-ND2 3.22Å
80M94.9Very high93.8Very high13 Ų1349.4 Ų49.46%0.06427%0.266CS..SBendtrans-84159.1171.871.2174.279.300112.4I76 V77 F82 K127 I176 F181 L183 P190I76-M80 HydrophobicContact CG2-CE 3.98Å; I76-M80 PolarHBondContact O-N 2.92Å; V77-M80 VanDerWaalsContact O-CG 3.3Å; V77-M80 WeakPolarHBondContact O-CG 3.39Å; V77-M80 VanDerWaalsContact O-O 3.14Å; M80-F82 HydrophobicContact CG-CB 4.05Å; M80-F82 PolarHBondContact O-N 3.21Å; M80-F82 VanDerWaalsContact O-N 3.16Å; M80-F82 HydrophobicContact SD-CB 4.13Å; M80-K127 PolarHBondContact O-NZ 3.38Å; M80-I176 HydrophobicContact CB-CD1 4.1Å; M80-I176 HydrophobicContact SD-CD1 4.41Å; M80-F181 HydrophobicContact CE-CD1 4.03Å; M80-F181 HydrophobicContact CE-CE1 3.73Å; M80-F181 HydrophobicContact CE-CZ 4.12Å; M80-L183 HydrophobicContact SD-CD2 4.11Å; M80-P190 HydrophobicContact CE-CG 4.14Å; M80-P190 HydrophobicContact SD-CB 4.01Å; M80-P190 HydrophobicContact SD-CG 3.78Å
81F97.2Very high93.9Very high12 Ų1249.3 Ų49.35%0.05327%0.265CS..  trans-84.484.4168-163.9-86.1000110.3A83 L97 L101 N102 T119 K127 I131F81-A83 HydrophobicContact CE1-CB 4.04Å; F81-A83 HydrophobicContact CZ-CB 4.29Å; F81-L97 HydrophobicContact CE1-CB 4.43Å; F81-L101 HydrophobicContact CB-CB 3.85Å; F81-L101 HydrophobicContact CD1-CB 3.8Å; F81-L101 HydrophobicContact CD1-CD1 3.86Å; F81-L101 HydrophobicContact CD1-CG 4.39Å; F81-L101 HydrophobicContact CD2-CB 3.99Å; F81-L101 HydrophobicContact CD2-CD1 3.78Å; F81-L101 HydrophobicContact CE1-CB 4.42Å; F81-L101 HydrophobicContact CE1-CD1 3.61Å; F81-L101 HydrophobicContact CE2-CD1 3.52Å; F81-L101 HydrophobicContact CG-CB 3.56Å; F81-L101 HydrophobicContact CG-CD1 3.95Å; F81-L101 HydrophobicContact CG-CG 4.4Å; F81-L101 HydrophobicContact CZ-CD1 3.44Å; F81-L101 VanDerWaalsContact CZ-CD1 3.44Å; F81-N102 PolarHBondContact N-OD1 3.06Å; F81-N102 PolarHBondContact O-ND2 3.01Å; F81-T119 WeakPolarHBondContact CE2-OG1 3.4Å; F81-K127 HydrophobicContact CE2-CG 4.3Å; F81-I131 HydrophobicContact CE1-CD1 4.14Å; F81-I131 HydrophobicContact CZ-CD1 3.98Å; F81-I131 HydrophobicContact CZ-CG1 4.35Å
82F97.9Very high94.1Very high1 Ų148.5 Ų48.50%0.00426%0.26CS..  trans-114.8131.3166.4175.6-117.9000109.2V77 M80 H84 P124 K127 L183 P190V77-F82 HydrophobicContact CG1-CD1 4.05Å; M80-F82 HydrophobicContact CG-CB 4.05Å; M80-F82 PolarHBondContact O-N 3.21Å; M80-F82 VanDerWaalsContact O-N 3.16Å; M80-F82 HydrophobicContact SD-CB 4.13Å; F82-H84 AromaticContact CE1-CD2 3.92Å; F82-H84 AromaticContact CE1-NE2 3.86Å; F82-P124 HydrophobicContact CD1-CB 3.73Å; F82-P124 HydrophobicContact CD1-CG 3.61Å; F82-P124 HydrophobicContact CE1-CB 3.97Å; F82-P124 HydrophobicContact CE1-CG 4.07Å; F82-P124 WeakPolarHBondContact O-CA 3.38Å; F82-K127 WeakPolarHBondContact O-CD 3.06Å; F82-L183 HydrophobicContact CB-CD2 4.29Å; F82-L183 HydrophobicContact CD2-CB 4.11Å; F82-L183 HydrophobicContact CD2-CD2 3.86Å; F82-L183 HydrophobicContact CD2-CG 4.5Å; F82-L183 HydrophobicContact CG-CD2 4.37Å; F82-P190 HydrophobicContact CD1-CB 4.27Å; F82-P190 HydrophobicContact CD1-CG 4.11Å; F82-P190 HydrophobicContact CD2-CB 4.15Å; F82-P190 HydrophobicContact CE2-CB 4.43Å; F82-P190 HydrophobicContact CG-CB 4.06Å; F82-P190 HydrophobicContact CG-CG 4.26Å
83A97.8Very high94.3Very high0 Ų044.1 Ų44.10%024%0.238CC..  trans-135.8135.8-173.200000111.2F81 P124 K127 I131F81-A83 HydrophobicContact CE1-CB 4.04Å; F81-A83 HydrophobicContact CZ-CB 4.29Å; A83-P124 WeakPolarHBondContact CA-O 3.49Å; A83-K127 HydrophobicContact CB-CB 3.69Å; A83-I131 HydrophobicContact CB-CD1 3.76Å
84H97.3Very high94.5Very high39 Ų3940.5 Ų40.518%0.18122%0.218CC..  trans-76.6135.9173.2-64.2157.9000110.5F82 L86 P124 E125 G128 K187 V188F82-H84 AromaticContact CE1-CD2 3.92Å; F82-H84 AromaticContact CE1-NE2 3.86Å; H84-L86 HydrophobicContact CB-CD2 3.92Å; H84-L86 HydrophobicContact CB-CG 4.47Å; H84-L86 PolarHBondContact O-N 3.12Å; H84-P124 PolarHBondContact N-O 2.85Å; H84-E125 PolarHBondContact ND1-N 3.38Å; H84-G128 WeakPolarHBondContact O-CA 3.12Å; H84-K187 PolarHBondContact CD2-O 3.48Å; H84-K187 VanDerWaalsContact CD2-O 3.27Å; H84-K187 PolarHBondContact NE2-O 3.49Å; H84-V188 PolarHBondContact NE2-O 3.41Å
85Q95.5Very high94.7Very high27 Ų2736 Ų3613%0.12620%0.195CC..  trans-82.184178.9-170.5-161.1-36.300110.4I87 C91 G185 L186Q85-I87 PolarHBondContact NE2-O 3.07Å; Q85-I87 VanDerWaalsContact NE2-O 3.14Å; Q85-C91 VanDerWaalsContact OE1-CB 3.22Å; Q85-G185 PolarHBondContact N-O 3.47Å; Q85-L186 HydrophobicContact CB-CD2 4.29Å
86L92.8Very high94.9Very high61 Ų6130.2 Ų30.232%0.31916%0.164SC..  trans-77.1-21.5-179.3-53.2-175.8000113.5H84 E125 Y129H84-L86 HydrophobicContact CB-CD2 3.92Å; H84-L86 HydrophobicContact CB-CG 4.47Å; H84-L86 PolarHBondContact O-N 3.12Å; L86-E125 HydrophobicContact CD1-CG 3.83Å; L86-E125 WeakPolarHBondContact CD1-O 3.29Å; L86-E125 HydrophobicContact CD2-CG 4.21Å; L86-Y129 HydrophobicContact CD1-CD1 3.65Å; L86-Y129 HydrophobicContact CD1-CD2 3.56Å; L86-Y129 HydrophobicContact CD1-CE1 3.6Å; L86-Y129 HydrophobicContact CD1-CE2 3.52Å; L86-Y129 HydrophobicContact CD1-CG 3.61Å
87I90.3Very high95.2Very high46 Ų4626.2 Ų26.224%0.23614%0.143CC..SBendtrans-102.9128.1-175.5-50.5-57.2000110.3W5 Q85 S90W5-I87 HydrophobicContact CB-CG2 4.26Å; W5-I87 HydrophobicContact CD2-CG2 4.47Å; W5-I87 HydrophobicContact CG-CG2 3.85Å; Q85-I87 PolarHBondContact NE2-O 3.07Å; Q85-I87 VanDerWaalsContact NE2-O 3.14Å; I87-S90 PolarHBondContact O-OG 3.26Å
88P89.8Confident95.3Very high91 Ų9126.4 Ų26.459%0.59115%0.145SC*.SBendtrans-59.4155.4174.526.1-34.9000111.5S90P88-S90 PolarHBondContact O-N 3.27Å
89N90.6Very high95.5Very high67 Ų6725 Ų2536%0.35814%0.137SC..SBendtrans62.2-23.7-179-51.2-20.4000116.7W5 L6 C91W5-N89 WeakPolarHBondContact O-CB 3.27Å; W5-N89 PolarHBondContact O-ND2 3.43Å; L6-N89 WeakPolarHBondContact O-CB 3.38Å; N89-C91 PolarHBondContact O-N 3.46Å; N89-C91 PolarHBondContact O-SG 2.9Å
90S94.3Very high95.7Very high0 Ų018.8 Ų18.80%010%0.104CC..THydrogen-bonded Turntrans-65.35.4-179.174.10000116.3W5 I87 P88 A92 T93 H94W5-S90 VanDerWaalsContact CE3-CB 3.42Å; I87-S90 PolarHBondContact O-OG 3.26Å; P88-S90 PolarHBondContact O-N 3.27Å; S90-A92 PolarHBondContact O-N 3.49Å; S90-T93 PolarHBondContact O-N 3.44Å; S90-H94 PolarHBondContact O-N 3.41Å; S90-H94 PolarHBondContact O-ND1 2.64Å; S90-H94 PolarHBondContact OG-CE1 3.35Å; S90-H94 PolarHBondContact OG-ND1 3.2Å
91C93.9Very high95.8Very high20 Ų2018.3 Ų18.314%0.13510%0.101CC..Hα-helixtrans-54.7-45.5-17755.20000114.1Q85 N89 T93 H94 A95 F170Q85-C91 VanDerWaalsContact OE1-CB 3.22Å; N89-C91 PolarHBondContact O-N 3.46Å; N89-C91 PolarHBondContact O-SG 2.9Å; C91-T93 VanDerWaalsContact C-N 3.34Å; C91-T93 PolarHBondContact O-N 2.88Å; C91-H94 PolarHBondContact O-N 2.92Å; C91-A95 WeakPolarHBondContact O-CB 3.29Å; C91-A95 PolarHBondContact O-N 3.43Å; C91-F170 HydrophobicContact CB-CD2 4.1Å
92A95.6Very high95.8Very high1 Ų119.5 Ų19.51%0.00811%0.108CC..Hα-helixtrans-56.4-46.9177.200000112L8 F15 S90 L96 F170L8-A92 HydrophobicContact CB-CB 4.24Å; L8-A92 HydrophobicContact CD1-CB 4.11Å; F15-A92 HydrophobicContact CE1-CB 4.15Å; F15-A92 HydrophobicContact CE2-CB 4.12Å; F15-A92 HydrophobicContact CZ-CB 3.49Å; F15-A92 VanDerWaalsContact CZ-CB 3.49Å; S90-A92 PolarHBondContact O-N 3.49Å; A92-L96 WeakPolarHBondContact O-CB 3.39Å; A92-L96 PolarHBondContact O-N 3.01Å; A92-L96 VanDerWaalsContact O-N 3.08Å; A92-F170 HydrophobicContact CB-CD2 4.21Å; A92-F170 HydrophobicContact CB-CE2 3.93Å; A92-F170 HydrophobicContact CB-CZ 4.46Å
93T97.2Very high95.5Very high0 Ų020.2 Ų20.20%011%0.114CC..Hα-helixtrans-70.4-41.4177.2-66.60000112.1W5 F22 S90 C91 A95 L96 L97 H141W5-T93 HydrophobicContact CH2-CG2 4.08Å; W5-T93 HydrophobicContact CZ3-CG2 3.87Å; F22-T93 HydrophobicContact CE2-CG2 4.08Å; F22-T93 HydrophobicContact CZ-CG2 3.61Å; S90-T93 PolarHBondContact O-N 3.44Å; C91-T93 VanDerWaalsContact C-N 3.34Å; C91-T93 PolarHBondContact O-N 2.88Å; T93-A95 VanDerWaalsContact C-N 3.33Å; T93-A95 PolarHBondContact O-N 2.94Å; T93-L96 PolarHBondContact O-N 3.37Å; T93-L97 HydrophobicContact CG2-CD1 3.61Å; T93-L97 HydrophobicContact CG2-CG 4.01Å; T93-L97 WeakPolarHBondContact O-CB 3.46Å; T93-L97 WeakPolarHBondContact O-CG 3.32Å; T93-L97 PolarHBondContact O-N 2.82Å; T93-H141 PolarHBondContact OG1-ND1 3.43Å
94H96.6Very high95Very high6 Ų625.2 Ų25.23%0.02815%0.148CC..Hα-helixtrans-58.5-44.9175.9-83.875.8000111.9S90 C91 S98S90-H94 PolarHBondContact O-N 3.41Å; S90-H94 PolarHBondContact O-ND1 2.64Å; S90-H94 PolarHBondContact OG-CE1 3.35Å; S90-H94 PolarHBondContact OG-ND1 3.2Å; C91-H94 PolarHBondContact O-N 2.92Å; H94-S98 VanDerWaalsContact O-CB 3.3Å; H94-S98 WeakPolarHBondContact O-CB 3.19Å; H94-S98 PolarHBondContact O-N 2.75Å; H94-S98 PolarHBondContact O-OG 3.37Å
95A97.7Very high94.5Very high5 Ų529.4 Ų29.44%0.04117%0.172CC..Hα-helixtrans-63.5-46.417700000112I47 C91 T93 L97 S98 V99 F170 S172I47-A95 HydrophobicContact CG2-CB 4.11Å; C91-A95 WeakPolarHBondContact O-CB 3.29Å; C91-A95 PolarHBondContact O-N 3.43Å; T93-A95 VanDerWaalsContact C-N 3.33Å; T93-A95 PolarHBondContact O-N 2.94Å; A95-L97 PolarHBondContact O-N 2.96Å; A95-S98 PolarHBondContact O-N 2.82Å; A95-V99 PolarHBondContact O-N 2.95Å; A95-V99 VanDerWaalsContact O-N 3.13Å; A95-F170 HydrophobicContact CB-CB 3.63Å; A95-S172 WeakPolarHBondContact CA-OG 3.45Å; A95-S172 WeakPolarHBondContact CB-OG 2.86Å; A95-S172 PolarHBondContact O-OG 2.95Å
96L97.8Very high94.4Very high0 Ų029.3 Ų29.30%017%0.173CC..Hα-helixtrans-61.7-44.4178.6-177.659.7000112.5L18 V19 F22 V29 I47 A92 T93 V99 L100 V233L18-L96 HydrophobicContact CD2-CD2 3.97Å; L18-L96 HydrophobicContact CG-CD2 4.17Å; V19-L96 HydrophobicContact CG2-CD1 3.77Å; V19-L96 HydrophobicContact CG2-CD2 3.76Å; V19-L96 HydrophobicContact CG2-CG 4.2Å; F22-L96 HydrophobicContact CE2-CD2 4.01Å; V29-L96 HydrophobicContact CG2-CD1 4.45Å; I47-L96 HydrophobicContact CD1-CB 4.19Å; I47-L96 HydrophobicContact CD1-CD1 3.98Å; A92-L96 WeakPolarHBondContact O-CB 3.39Å; A92-L96 PolarHBondContact O-N 3.01Å; A92-L96 VanDerWaalsContact O-N 3.08Å; T93-L96 PolarHBondContact O-N 3.37Å; L96-V99 PolarHBondContact O-N 3.43Å; L96-L100 HydrophobicContact CD1-CD1 4.08Å; L96-L100 HydrophobicContact CD1-CG 4.37Å; L96-L100 HydrophobicContact CG-CD1 3.91Å; L96-L100 WeakPolarHBondContact O-CG 3.39Å; L96-L100 PolarHBondContact O-N 3.22Å; L96-V233 HydrophobicContact CD1-CG2 4.38Å
97L98.1Very high94.6Very high0 Ų029.9 Ų29.90%018%0.177CC..Hα-helixtrans-65.2-39174.4-67.1173.6000112F22 F81 T93 A95 V99 L100 L101 L112 I131 L137F22-L97 HydrophobicContact CD2-CD2 4.43Å; F22-L97 HydrophobicContact CE2-CD2 4.24Å; F81-L97 HydrophobicContact CE1-CB 4.43Å; T93-L97 HydrophobicContact CG2-CD1 3.61Å; T93-L97 HydrophobicContact CG2-CG 4.01Å; T93-L97 WeakPolarHBondContact O-CB 3.46Å; T93-L97 WeakPolarHBondContact O-CG 3.32Å; T93-L97 PolarHBondContact O-N 2.82Å; A95-L97 PolarHBondContact O-N 2.96Å; L97-V99 PolarHBondContact O-N 3.05Å; L97-L100 PolarHBondContact O-N 3.27Å; L97-L101 HydrophobicContact CB-CD1 4.18Å; L97-L101 HydrophobicContact CD2-CD1 4.29Å; L97-L101 VanDerWaalsContact O-CB 3.28Å; L97-L101 WeakPolarHBondContact O-CB 3.47Å; L97-L101 WeakPolarHBondContact O-CG 3.47Å; L97-L101 PolarHBondContact O-N 2.77Å; L97-L112 HydrophobicContact CD2-CD1 3.81Å; L97-L112 HydrophobicContact CD2-CD2 3.47Å; L97-L112 VanDerWaalsContact CD2-CD2 3.47Å; L97-L112 HydrophobicContact CD2-CG 4.31Å; L97-I131 HydrophobicContact CD1-CD1 4.03Å; L97-I131 HydrophobicContact CD1-CG1 3.95Å; L97-I131 HydrophobicContact CD1-CG2 3.88Å; L97-L137 HydrophobicContact CD1-CD1 3.94Å
98S97.7Very high94.9Very high5 Ų528.3 Ų28.34%0.03517%0.169CC..Hα-helixtrans-63.2-23.9176.1-600000112.9H94 A95 N102H94-S98 VanDerWaalsContact O-CB 3.3Å; H94-S98 WeakPolarHBondContact O-CB 3.19Å; H94-S98 PolarHBondContact O-N 2.75Å; H94-S98 PolarHBondContact O-OG 3.37Å; A95-S98 PolarHBondContact O-N 2.82Å; S98-N102 PolarHBondContact O-ND2 3.38Å
99V98.2Very high95.2Very high0 Ų024.2 Ų24.20%014%0.143CC..Hα-helixtrans-79.3-61.3166.4178.40000110.8I47 A95 L96 L97 L101 N102 C103 V174 V233I47-V99 HydrophobicContact CG1-CG2 4.04Å; A95-V99 PolarHBondContact O-N 2.95Å; A95-V99 VanDerWaalsContact O-N 3.13Å; L96-V99 PolarHBondContact O-N 3.43Å; L97-V99 PolarHBondContact O-N 3.05Å; V99-L101 PolarHBondContact O-N 3.2Å; V99-N102 PolarHBondContact O-N 3Å; V99-C103 PolarHBondContact O-N 2.95Å; V99-C103 PolarHBondContact O-SG 3.34Å; V99-V174 HydrophobicContact CB-CG1 4.28Å; V99-V174 HydrophobicContact CG1-CG1 4.4Å; V99-V174 HydrophobicContact CG2-CG1 3.99Å; V99-V233 HydrophobicContact CB-CG2 4.21Å; V99-V233 HydrophobicContact CG1-CB 3.89Å; V99-V233 HydrophobicContact CG1-CG1 4.18Å; V99-V233 HydrophobicContact CG1-CG2 3.87Å; V99-V233 HydrophobicContact CG2-CG2 4.27Å
100L98Very high95.5Very high0 Ų025.1 Ų25.10%015%0.152CC..Hα-helixtrans-57.3-44.9-170.4-68.3169.5000112.8V19 V24 V27 L96 L97 N102 C103 V106 L108 L112 V233V19-L100 HydrophobicContact CG2-CD1 4.47Å; V24-L100 HydrophobicContact CG1-CD2 4.25Å; V24-L100 HydrophobicContact CG2-CD1 4.31Å; V27-L100 HydrophobicContact CG1-CD2 4.23Å; L96-L100 HydrophobicContact CD1-CD1 4.08Å; L96-L100 HydrophobicContact CD1-CG 4.37Å; L96-L100 HydrophobicContact CG-CD1 3.91Å; L96-L100 WeakPolarHBondContact O-CG 3.39Å; L96-L100 PolarHBondContact O-N 3.22Å; L97-L100 PolarHBondContact O-N 3.27Å; L100-N102 VanDerWaalsContact C-N 3.31Å; L100-N102 PolarHBondContact O-N 3.03Å; L100-C103 WeakPolarHBondContact O-CB 3.31Å; L100-C103 PolarHBondContact O-N 2.99Å; L100-C103 VanDerWaalsContact O-N 3.09Å; L100-V106 HydrophobicContact CD2-CG1 4.49Å; L100-L108 HydrophobicContact CB-CD2 4.06Å; L100-L112 HydrophobicContact CD1-CD1 3.96Å; L100-V233 HydrophobicContact CD2-CG1 4.35Å
101L97.7Very high95.5Very high3 Ų326.2 Ų26.22%0.01616%0.159CC..THydrogen-bonded Turntrans-76-17.9-173.7-62-178.2000113.3F81 L97 V99 L108 L112 K116F81-L101 HydrophobicContact CB-CB 3.85Å; F81-L101 HydrophobicContact CD1-CB 3.8Å; F81-L101 HydrophobicContact CD1-CD1 3.86Å; F81-L101 HydrophobicContact CD1-CG 4.39Å; F81-L101 HydrophobicContact CD2-CB 3.99Å; F81-L101 HydrophobicContact CD2-CD1 3.78Å; F81-L101 HydrophobicContact CE1-CB 4.42Å; F81-L101 HydrophobicContact CE1-CD1 3.61Å; F81-L101 HydrophobicContact CE2-CD1 3.52Å; F81-L101 HydrophobicContact CG-CB 3.56Å; F81-L101 HydrophobicContact CG-CD1 3.95Å; F81-L101 HydrophobicContact CG-CG 4.4Å; F81-L101 HydrophobicContact CZ-CD1 3.44Å; F81-L101 VanDerWaalsContact CZ-CD1 3.44Å; L97-L101 HydrophobicContact CB-CD1 4.18Å; L97-L101 HydrophobicContact CD2-CD1 4.29Å; L97-L101 VanDerWaalsContact O-CB 3.28Å; L97-L101 WeakPolarHBondContact O-CB 3.47Å; L97-L101 WeakPolarHBondContact O-CG 3.47Å; L97-L101 PolarHBondContact O-N 2.77Å; V99-L101 PolarHBondContact O-N 3.2Å; L101-L108 HydrophobicContact CD2-CD1 4.05Å; L101-L108 HydrophobicContact CD2-CD2 4.31Å; L101-L112 HydrophobicContact CD2-CB 3.95Å; L101-K116 HydrophobicContact CD2-CB 4.14Å; L101-K116 HydrophobicContact CD2-CD 4.34Å; L101-K116 WeakPolarHBondContact O-CE 3.35Å; L101-K116 PolarHBondContact O-NZ 2.73Å
102N97.2Very high95.7Very high37 Ų3725.2 Ų25.220%0.19815%0.153CC..THydrogen-bonded Turntrans-85.1-9.4168.8-72.4-58.7000113.3F81 S98 V99 L100 I176 L183F81-N102 PolarHBondContact N-OD1 3.06Å; F81-N102 PolarHBondContact O-ND2 3.01Å; S98-N102 PolarHBondContact O-ND2 3.38Å; V99-N102 PolarHBondContact O-N 3Å; L100-N102 VanDerWaalsContact C-N 3.31Å; L100-N102 PolarHBondContact O-N 3.03Å; N102-I176 HydrophobicContact CB-CD1 4.25Å; N102-I176 HydrophobicContact CB-CG1 4.49Å; N102-L183 WeakPolarHBondContact ND2-CD1 3.24Å
103C92.3Very high95.8Very high17 Ų1727.2 Ų27.212%0.11517%0.167CC..  trans-77.9151.1176-63.50000112.9Y44 V99 L100 V106 K116Y44-C103 HydrophobicContact CD1-CB 4.46Å; V99-C103 PolarHBondContact O-N 2.95Å; V99-C103 PolarHBondContact O-SG 3.34Å; L100-C103 WeakPolarHBondContact O-CB 3.31Å; L100-C103 PolarHBondContact O-N 2.99Å; L100-C103 VanDerWaalsContact O-N 3.09Å; C103-V106 HydrophobicContact CB-CB 4.47Å; C103-V106 HydrophobicContact CB-CG2 3.89Å; C103-K116 PolarHBondContact O-NZ 3.2Å
104S86.9Confident95.7Very high104 Ų10433.3 Ų33.373%0.72719%0.19SC*.SBendtrans-103.4-29.5169.655.90000113.5V106S104-V106 PolarHBondContact O-N 3.07Å
105N87.3Confident95.7Very high127 Ų12734 Ų3468%0.67919%0.193SC*.SBendtrans-104.246.4-165.9-59.13.2000111.9Y44Y44-N105 HydrophobicContact CE1-CB 4.42Å; Y44-N105 WeakPolarHBondContact CE1-O 3.49Å; Y44-N105 PolarHBondContact OH-O 3.46Å
106V93.3Very high95.6Very high25 Ų2537 Ų3715%0.15221%0.205CC..SBendtrans-141.7134.7-175.21740000109.7V24 V27 Y44 L100 C103 S104 L108V24-V106 HydrophobicContact CG1-CG1 3.73Å; V27-V106 HydrophobicContact CG2-CG1 3.68Å; V27-V106 HydrophobicContact CG2-CG2 4.09Å; Y44-V106 HydrophobicContact CD1-CG2 3.8Å; Y44-V106 HydrophobicContact CD2-CG2 4.37Å; Y44-V106 HydrophobicContact CE1-CG2 3.38Å; Y44-V106 HydrophobicContact CE2-CG2 4.01Å; Y44-V106 HydrophobicContact CG-CG2 4.27Å; Y44-V106 VanDerWaalsContact CZ-CG2 3.48Å; L100-V106 HydrophobicContact CD2-CG1 4.49Å; C103-V106 HydrophobicContact CB-CB 4.47Å; C103-V106 HydrophobicContact CB-CG2 3.89Å; S104-V106 PolarHBondContact O-N 3.07Å; V106-L108 HydrophobicContact CG1-CD2 4.03Å; V106-L108 HydrophobicContact CG1-CG 4.48Å; V106-L108 PolarHBondContact O-N 3.32Å; V106-L108 VanDerWaalsContact O-N 3.11Å
107D95.8Very high95.6Very high73 Ų7342.7 Ų42.739%0.3924%0.235SC..BIsolated β-bridgetrans-75.895164.4176.29.6000109V24 K25 G109V24-D107 WeakPolarHBondContact CA-O 3.46Å; V24-D107 WeakPolarHBondContact CG1-O 3.23Å; K25-D107 HydrophobicContact CB-CB 4.2Å; K25-D107 WeakPolarHBondContact CD-OD2 3.43Å; K25-D107 WeakPolarHBondContact CG-OD2 3.24Å; K25-D107 PolarHBondContact N-O 3.12Å; K25-D107 IonicContact NZ-OD1 3.47Å; K25-D107 IonicContact NZ-OD2 3.42Å; K25-D107 PolarHBondContact NZ-OD2 3.43Å; D107-G109 PolarHBondContact O-N 3.42Å; D107-G109 PolarHBondContact OD1-N 2.92Å
108L97Very high95.5Very high14 Ų1449.1 Ų49.17%0.07326%0.264CS..  trans-67-9.8179.3-70.8178.4000113.8L100 L101 V106 L112 K116L100-L108 HydrophobicContact CB-CD2 4.06Å; L101-L108 HydrophobicContact CD2-CD1 4.05Å; L101-L108 HydrophobicContact CD2-CD2 4.31Å; V106-L108 HydrophobicContact CG1-CD2 4.03Å; V106-L108 HydrophobicContact CG1-CG 4.48Å; V106-L108 PolarHBondContact O-N 3.32Å; V106-L108 VanDerWaalsContact O-N 3.11Å; L108-L112 HydrophobicContact CB-CB 4.08Å; L108-L112 HydrophobicContact CD2-CB 4.5Å; L108-L112 HydrophobicContact CD2-CD1 4.47Å; L108-L112 WeakPolarHBondContact O-CB 3.48Å; L108-K116 HydrophobicContact CD1-CD 3.71Å
109G95.8Very high95.4Very high5 Ų549 Ų495%0.05226%0.263CS..Hα-helixtrans65.3177.5-171.700000113.4G23 D107 S113G23-G109 WeakPolarHBondContact O-CA 3.48Å; D107-G109 PolarHBondContact O-N 3.42Å; D107-G109 PolarHBondContact OD1-N 2.92Å; G109-S113 VanDerWaalsContact O-CB 3.25Å; G109-S113 WeakPolarHBondContact O-CB 3.45Å; G109-S113 PolarHBondContact O-N 3.28Å; G109-S113 PolarHBondContact O-OG 2.9Å
110P96.5Very high95.3Very high85 Ų8556.8 Ų56.855%0.55230%0.297SS*.Hα-helixtrans-71.9-33.9-170.128.5-35.2000113.4R114P110-R114 VanDerWaalsContact O-CG 3.28Å; P110-R114 WeakPolarHBondContact O-CG 3.41Å; P110-R114 PolarHBondContact O-N 2.83Å
111T95.7Very high95.2Very high23 Ų2359 Ų5914%0.14132%0.319CS..Hα-helixtrans-71.7-51.8-177.2-74.50000112.1R114 M115 E136 L137T111-R114 PolarHBondContact O-N 3.49Å; T111-R114 PolarHBondContact OG1-NH2 2.87Å; T111-R114 VanDerWaalsContact OG1-NH2 3.1Å; T111-M115 PolarHBondContact O-N 2.93Å; T111-M115 VanDerWaalsContact O-N 3.11Å; T111-E136 WeakPolarHBondContact CB-OE2 3.39Å; T111-E136 HydrophobicContact CG2-CB 4.14Å; T111-E136 WeakPolarHBondContact CG2-OE2 3.37Å; T111-E136 PolarHBondContact OG1-OE2 3.44Å; T111-L137 HydrophobicContact CG2-CD2 3.99Å
112L97.2Very high95.1Very high0 Ų062.1 Ų62.10%033%0.332CS..Hα-helixtrans-71.7-30.7-179.4-61.7-164.1000112.6F22 V24 L97 L100 L101 L108 M115 K116 L137F22-L112 HydrophobicContact CB-CD1 4.35Å; F22-L112 HydrophobicContact CB-CG 4.39Å; F22-L112 HydrophobicContact CD2-CD1 4.35Å; V24-L112 HydrophobicContact CG2-CD1 3.47Å; V24-L112 VanDerWaalsContact CG2-CD1 3.47Å; V24-L112 HydrophobicContact CG2-CG 4.21Å; L97-L112 HydrophobicContact CD2-CD1 3.81Å; L97-L112 HydrophobicContact CD2-CD2 3.47Å; L97-L112 VanDerWaalsContact CD2-CD2 3.47Å; L97-L112 HydrophobicContact CD2-CG 4.31Å; L100-L112 HydrophobicContact CD1-CD1 3.96Å; L101-L112 HydrophobicContact CD2-CB 3.95Å; L108-L112 HydrophobicContact CB-CB 4.08Å; L108-L112 HydrophobicContact CD2-CB 4.5Å; L108-L112 HydrophobicContact CD2-CD1 4.47Å; L108-L112 WeakPolarHBondContact O-CB 3.48Å; L112-M115 PolarHBondContact O-N 2.91Å; L112-K116 WeakPolarHBondContact O-CB 3.36Å; L112-K116 PolarHBondContact O-N 3.16Å; L112-L137 HydrophobicContact CD2-CD2 3.76Å
113S96.9Very high95.1Very high43 Ų4362.5 Ų62.530%0.30134%0.338SS..Hα-helixtrans-62.1-50.1172.1-570000111.5G109 M115 K116 D117G109-S113 VanDerWaalsContact O-CB 3.25Å; G109-S113 WeakPolarHBondContact O-CB 3.45Å; G109-S113 PolarHBondContact O-N 3.28Å; G109-S113 PolarHBondContact O-OG 2.9Å; S113-M115 VanDerWaalsContact C-N 3.27Å; S113-M115 PolarHBondContact O-N 3.01Å; S113-K116 PolarHBondContact O-N 3.33Å; S113-K116 VanDerWaalsContact O-N 3.13Å; S113-D117 PolarHBondContact O-N 2.96Å
114R96.4Very high95.4Very high128 Ų12862.2 Ų62.248%0.48334%0.336SS..Hα-helixtrans-55-42.5174.2-75.4-173.4-49.5-106.39112.1P110 T111 F118 E136P110-R114 VanDerWaalsContact O-CG 3.28Å; P110-R114 WeakPolarHBondContact O-CG 3.41Å; P110-R114 PolarHBondContact O-N 2.83Å; T111-R114 PolarHBondContact O-N 3.49Å; T111-R114 PolarHBondContact OG1-NH2 2.87Å; T111-R114 VanDerWaalsContact OG1-NH2 3.1Å; R114-F118 WeakPolarHBondContact O-CB 3.33Å; R114-F118 PolarHBondContact O-N 3.31Å; R114-E136 VanDerWaalsContact NH2-CD 3.31Å; R114-E136 IonicContact NH2-OE1 2.98Å; R114-E136 PolarHBondContact NH2-OE1 2.98Å; R114-E136 IonicContact NH2-OE2 2.82Å; R114-E136 PolarHBondContact NH2-OE2 2.75Å
115M96.2Very high95.9Very high20 Ų2061.6 Ų61.610%0.09932%0.322CS..Hα-helixtrans-65.5-42.6178.1179.1167-7700112.2T111 L112 S113 F118 T119 A130 I131 A134 L137T111-M115 PolarHBondContact O-N 2.93Å; T111-M115 VanDerWaalsContact O-N 3.11Å; L112-M115 PolarHBondContact O-N 2.91Å; S113-M115 VanDerWaalsContact C-N 3.27Å; S113-M115 PolarHBondContact O-N 3.01Å; M115-F118 PolarHBondContact O-N 3.39Å; M115-T119 HydrophobicContact CG-CG2 4.33Å; M115-T119 WeakPolarHBondContact O-CB 3.33Å; M115-T119 WeakPolarHBondContact O-CG2 3.37Å; M115-T119 PolarHBondContact O-N 3.25Å; M115-T119 PolarHBondContact O-OG1 3.04Å; M115-A130 WeakPolarHBondContact CE-O 3.44Å; M115-I131 HydrophobicContact SD-CG1 4.06Å; M115-A134 HydrophobicContact CE-CB 3.6Å; M115-L137 HydrophobicContact CE-CD1 3.59Å; M115-L137 HydrophobicContact SD-CD1 3.85Å
116K96.3Very high96.3Very high68 Ų6857.8 Ų57.830%0.29631%0.305SS..Hα-helixtrans-61.5-43.5178.2-170.3165172.4161.80112L101 C103 L108 L112 S113 K120L101-K116 HydrophobicContact CD2-CB 4.14Å; L101-K116 HydrophobicContact CD2-CD 4.34Å; L101-K116 WeakPolarHBondContact O-CE 3.35Å; L101-K116 PolarHBondContact O-NZ 2.73Å; C103-K116 PolarHBondContact O-NZ 3.2Å; L108-K116 HydrophobicContact CD1-CD 3.71Å; L112-K116 WeakPolarHBondContact O-CB 3.36Å; L112-K116 PolarHBondContact O-N 3.16Å; S113-K116 PolarHBondContact O-N 3.33Å; S113-K116 VanDerWaalsContact O-N 3.13Å; K116-K120 PolarHBondContact O-N 2.98Å
117D96.3Very high96.6Very high119 Ų11956.8 Ų56.864%0.63630%0.299SS*.Hα-helixtrans-71.4-43.9178.1-67.4-32.9000111.9S113 T119 K120S113-D117 PolarHBondContact O-N 2.96Å; D117-T119 VanDerWaalsContact C-N 3.34Å; D117-T119 PolarHBondContact O-N 3.37Å; D117-K120 WeakPolarHBondContact O-CB 3.45Å; D117-K120 PolarHBondContact O-N 2.9Å
118F96.5Very high96.6Very high135 Ų13553.3 Ų53.359%0.59228%0.28SS*.Hα-helixtrans-63.3-36.4179.3175.6-109.3000113.2R114 M115 F122 A130R114-F118 WeakPolarHBondContact O-CB 3.33Å; R114-F118 PolarHBondContact O-N 3.31Å; M115-F118 PolarHBondContact O-N 3.39Å; F118-F122 HydrophobicContact CD1-CE2 4.28Å; F118-F122 AromaticContact CE1-CE2 3.85Å; F118-F122 HydrophobicContact CE1-CE2 3.85Å; F118-F122 HydrophobicContact CE1-CZ 4.2Å; F118-F122 HydrophobicContact CE2-CZ 4.31Å; F118-F122 HydrophobicContact CZ-CE2 4.1Å; F118-F122 HydrophobicContact CZ-CZ 4.08Å; F118-F122 VanDerWaalsContact O-CE1 3.24Å; F118-F122 WeakPolarHBondContact O-CE1 3.27Å; F118-F122 WeakPolarHBondContact O-CZ 3.49Å; F118-A130 HydrophobicContact CE1-CB 4.36Å
119T97Very high96.6Very high2 Ų258.3 Ų58.31%0.01230%0.299CS..THydrogen-bonded Turntrans-95.110.2-176.860.60000114.2F81 M115 D117 G121 F122 K127 A130F81-T119 WeakPolarHBondContact CE2-OG1 3.4Å; M115-T119 HydrophobicContact CG-CG2 4.33Å; M115-T119 WeakPolarHBondContact O-CB 3.33Å; M115-T119 WeakPolarHBondContact O-CG2 3.37Å; M115-T119 PolarHBondContact O-N 3.25Å; M115-T119 PolarHBondContact O-OG1 3.04Å; D117-T119 VanDerWaalsContact C-N 3.34Å; D117-T119 PolarHBondContact O-N 3.37Å; T119-G121 PolarHBondContact O-N 2.68Å; T119-F122 HydrophobicContact CG2-CD2 4.12Å; T119-F122 HydrophobicContact CG2-CE2 4.42Å; T119-F122 WeakPolarHBondContact O-CB 3.33Å; T119-F122 PolarHBondContact O-N 3.14Å; T119-F122 VanDerWaalsContact O-N 3.12Å; T119-K127 VanDerWaalsContact O-CE 3.25Å; T119-K127 WeakPolarHBondContact O-CE 3.46Å; T119-A130 HydrophobicContact CG2-CB 3.46Å; T119-A130 VanDerWaalsContact CG2-CB 3.46Å
120K95.7Very high96.6Very high165 Ų16558.8 Ų58.872%0.71730%0.303SS*.THydrogen-bonded Turntrans-64.5124179.5-172176.1-178.4178.50110.7K116 D117 F122K116-K120 PolarHBondContact O-N 2.98Å; D117-K120 WeakPolarHBondContact O-CB 3.45Å; D117-K120 PolarHBondContact O-N 2.9Å; K120-F122 PolarHBondContact O-N 3.5Å
121G94.7Very high96.6Very high45 Ų4554.8 Ų54.846%0.46428%0.276SS..THydrogen-bonded Turntrans75.53.6-176.400000115.1N78 T119N78-G121 PolarHBondContact O-N 3.47Å; T119-G121 PolarHBondContact O-N 2.68Å
122F97.2Very high96.6Very high69 Ų6954 Ų5430%0.30327%0.274SS..  trans-72.7149.2175.4-80.123.9000111.7N78 F118 T119 K120 K127N78-F122 PolarHBondContact OD1-O 2.88Å; N78-F122 VanDerWaalsContact OD1-O 3.13Å; F118-F122 HydrophobicContact CD1-CE2 4.28Å; F118-F122 AromaticContact CE1-CE2 3.85Å; F118-F122 HydrophobicContact CE1-CE2 3.85Å; F118-F122 HydrophobicContact CE1-CZ 4.2Å; F118-F122 HydrophobicContact CE2-CZ 4.31Å; F118-F122 HydrophobicContact CZ-CE2 4.1Å; F118-F122 HydrophobicContact CZ-CZ 4.08Å; F118-F122 VanDerWaalsContact O-CE1 3.24Å; F118-F122 WeakPolarHBondContact O-CE1 3.27Å; F118-F122 WeakPolarHBondContact O-CZ 3.49Å; T119-F122 HydrophobicContact CG2-CD2 4.12Å; T119-F122 HydrophobicContact CG2-CE2 4.42Å; T119-F122 WeakPolarHBondContact O-CB 3.33Å; T119-F122 PolarHBondContact O-N 3.14Å; T119-F122 VanDerWaalsContact O-N 3.12Å; K120-F122 PolarHBondContact O-N 3.5Å; F122-K127 HydrophobicContact CB-CG 3.88Å; F122-K127 WeakPolarHBondContact O-CD 3.36Å; F122-K127 WeakPolarHBondContact O-CE 3.35Å; F122-K127 PolarHBondContact O-NZ 2.97Å
123S97.2Very high96.4Very high45 Ų4559.8 Ų59.832%0.31530%0.304SS..  trans-60.9155.4169.371.40000111.9N78 E125 S126 K127N78-S123 WeakPolarHBondContact OD1-CA 3.47Å; S123-E125 VanDerWaalsContact C-N 3.26Å; S123-E125 PolarHBondContact O-N 3.41Å; S123-S126 WeakPolarHBondContact O-CB 3.43Å; S123-S126 PolarHBondContact O-N 3.14Å; S123-S126 WeakPolarHBondContact OG-CB 3.23Å; S123-S126 PolarHBondContact OG-N 2.78Å; S123-S126 PolarHBondContact OG-OG 3.39Å; S123-K127 PolarHBondContact O-N 3.18Å
124P97.4Very high96.3Very high11 Ų1158.4 Ų58.47%0.07130%0.295CS..Hα-helixtrans-58.8-34.4179.2-27.737.1000114V77 F82 A83 H84 K127 G128V77-P124 HydrophobicContact CG1-CG 3.45Å; V77-P124 VanDerWaalsContact CG1-CG 3.45Å; F82-P124 HydrophobicContact CD1-CB 3.73Å; F82-P124 HydrophobicContact CD1-CG 3.61Å; F82-P124 HydrophobicContact CE1-CB 3.97Å; F82-P124 HydrophobicContact CE1-CG 4.07Å; F82-P124 WeakPolarHBondContact O-CA 3.38Å; A83-P124 WeakPolarHBondContact CA-O 3.49Å; H84-P124 PolarHBondContact N-O 2.85Å; P124-K127 PolarHBondContact O-N 2.87Å; P124-G128 PolarHBondContact O-N 3.01Å
125E97.1Very high96.2Very high91 Ų9156 Ų5643%0.42530%0.296SS..Hα-helixtrans-64.7-46172.5-167.6-173.117400111.2H84 L86 S123 K127 G128 Y129H84-E125 PolarHBondContact ND1-N 3.38Å; L86-E125 HydrophobicContact CD1-CG 3.83Å; L86-E125 WeakPolarHBondContact CD1-O 3.29Å; L86-E125 HydrophobicContact CD2-CG 4.21Å; S123-E125 VanDerWaalsContact C-N 3.26Å; S123-E125 PolarHBondContact O-N 3.41Å; E125-K127 VanDerWaalsContact C-N 3.33Å; E125-K127 PolarHBondContact O-N 3.17Å; E125-G128 CarbonylContact O-C 3.59Å; E125-G128 WeakPolarHBondContact O-CA 3.2Å; E125-G128 PolarHBondContact O-N 2.92Å; E125-Y129 HydrophobicContact CG-CD2 4.11Å; E125-Y129 HydrophobicContact CG-CE2 3.63Å; E125-Y129 WeakPolarHBondContact O-CD2 3.41Å; E125-Y129 PolarHBondContact O-N 2.64Å; E125-Y129 VanDerWaalsContact OE1-CE2 3.29Å; E125-Y129 WeakPolarHBondContact OE1-CE2 3.35Å; E125-Y129 PolarHBondContact OE1-OH 3.13Å
126S97.4Very high96.1Very high48 Ų4859.6 Ų59.634%0.33631%0.313SS..Hα-helixtrans-63.6-37.1177.4-56.40000112.3S123 G128 Y129 A130S123-S126 WeakPolarHBondContact O-CB 3.43Å; S123-S126 PolarHBondContact O-N 3.14Å; S123-S126 WeakPolarHBondContact OG-CB 3.23Å; S123-S126 PolarHBondContact OG-N 2.78Å; S123-S126 PolarHBondContact OG-OG 3.39Å; S126-G128 VanDerWaalsContact C-N 3.35Å; S126-Y129 PolarHBondContact O-N 3.26Å; S126-A130 WeakPolarHBondContact O-CB 3.45Å; S126-A130 PolarHBondContact O-N 3.47Å
127K97.9Very high96.1Very high3 Ų356.4 Ų56.41%0.01330%0.299CS..Hα-helixtrans-62.6-40.8170.3-74.7163.3176.3155.80111.1N78 M80 F81 F82 A83 T119 F122 S123 P124 E125 A130 I131N78-K127 PolarHBondContact O-NZ 3.16Å; M80-K127 PolarHBondContact O-NZ 3.38Å; F81-K127 HydrophobicContact CE2-CG 4.3Å; F82-K127 WeakPolarHBondContact O-CD 3.06Å; A83-K127 HydrophobicContact CB-CB 3.69Å; T119-K127 VanDerWaalsContact O-CE 3.25Å; T119-K127 WeakPolarHBondContact O-CE 3.46Å; F122-K127 HydrophobicContact CB-CG 3.88Å; F122-K127 WeakPolarHBondContact O-CD 3.36Å; F122-K127 WeakPolarHBondContact O-CE 3.35Å; F122-K127 PolarHBondContact O-NZ 2.97Å; S123-K127 PolarHBondContact O-N 3.18Å; P124-K127 PolarHBondContact O-N 2.87Å; E125-K127 VanDerWaalsContact C-N 3.33Å; E125-K127 PolarHBondContact O-N 3.17Å; K127-A130 PolarHBondContact O-N 2.87Å; K127-I131 WeakPolarHBondContact O-CG1 3.23Å; K127-I131 PolarHBondContact O-N 3.02Å
128G96.7Very high96Very high0 Ų050.9 Ų50.90%027%0.27CS..Hα-helixtrans-59.5-48.1173.100000113.6H84 P124 E125 S126 A130 I131 G132H84-G128 WeakPolarHBondContact O-CA 3.12Å; P124-G128 PolarHBondContact O-N 3.01Å; E125-G128 CarbonylContact O-C 3.59Å; E125-G128 WeakPolarHBondContact O-CA 3.2Å; E125-G128 PolarHBondContact O-N 2.92Å; S126-G128 VanDerWaalsContact C-N 3.35Å; G128-A130 VanDerWaalsContact C-N 3.31Å; G128-A130 PolarHBondContact O-N 3.44Å; G128-I131 PolarHBondContact O-N 2.91Å; G128-G132 PolarHBondContact O-N 2.91Å
129Y96.5Very high96Very high119 Ų11952.1 Ų52.147%0.46728%0.275SS..Hα-helixtrans-62.6-36.3174.2-73.8-63.6000112.4L86 E125 S126 G132 N133L86-Y129 HydrophobicContact CD1-CD1 3.65Å; L86-Y129 HydrophobicContact CD1-CD2 3.56Å; L86-Y129 HydrophobicContact CD1-CE1 3.6Å; L86-Y129 HydrophobicContact CD1-CE2 3.52Å; L86-Y129 HydrophobicContact CD1-CG 3.61Å; E125-Y129 HydrophobicContact CG-CD2 4.11Å; E125-Y129 HydrophobicContact CG-CE2 3.63Å; E125-Y129 WeakPolarHBondContact O-CD2 3.41Å; E125-Y129 PolarHBondContact O-N 2.64Å; E125-Y129 VanDerWaalsContact OE1-CE2 3.29Å; E125-Y129 WeakPolarHBondContact OE1-CE2 3.35Å; E125-Y129 PolarHBondContact OE1-OH 3.13Å; S126-Y129 PolarHBondContact O-N 3.26Å; Y129-G132 PolarHBondContact O-N 3.37Å; Y129-N133 WeakPolarHBondContact O-CB 3.25Å; Y129-N133 PolarHBondContact O-N 3.23Å; Y129-N133 PolarHBondContact O-ND2 3.02Å
130A96.8Very high96Very high16 Ų1652.4 Ų52.413%0.13228%0.277CS..Hα-helixtrans-65.4-38.4176.900000112.6M115 F118 T119 S126 K127 G128 A134M115-A130 WeakPolarHBondContact CE-O 3.44Å; F118-A130 HydrophobicContact CE1-CB 4.36Å; T119-A130 HydrophobicContact CG2-CB 3.46Å; T119-A130 VanDerWaalsContact CG2-CB 3.46Å; S126-A130 WeakPolarHBondContact O-CB 3.45Å; S126-A130 PolarHBondContact O-N 3.47Å; K127-A130 PolarHBondContact O-N 2.87Å; G128-A130 VanDerWaalsContact C-N 3.31Å; G128-A130 PolarHBondContact O-N 3.44Å; A130-A134 PolarHBondContact O-N 3.45Å
131I96.6Very high96Very high0 Ų044.5 Ų44.50%024%0.243CC..Hα-helixtrans-66-49.7172.1-62.7165.3000110.3W5 F81 A83 L97 M115 K127 G128 N133 A134 L137W5-I131 HydrophobicContact CH2-CG2 4.24Å; F81-I131 HydrophobicContact CE1-CD1 4.14Å; F81-I131 HydrophobicContact CZ-CD1 3.98Å; F81-I131 HydrophobicContact CZ-CG1 4.35Å; A83-I131 HydrophobicContact CB-CD1 3.76Å; L97-I131 HydrophobicContact CD1-CD1 4.03Å; L97-I131 HydrophobicContact CD1-CG1 3.95Å; L97-I131 HydrophobicContact CD1-CG2 3.88Å; M115-I131 HydrophobicContact SD-CG1 4.06Å; K127-I131 WeakPolarHBondContact O-CG1 3.23Å; K127-I131 PolarHBondContact O-N 3.02Å; G128-I131 PolarHBondContact O-N 2.91Å; I131-N133 VanDerWaalsContact C-N 3.28Å; I131-N133 PolarHBondContact O-N 2.82Å; I131-A134 WeakPolarHBondContact O-CB 3.31Å; I131-A134 PolarHBondContact O-N 3.12Å; I131-A134 VanDerWaalsContact O-N 3.15Å; I131-L137 HydrophobicContact CG2-CD1 4.47Å
132G93.8Very high96Very high8 Ų844.2 Ų44.28%0.08223%0.231CC..Hα-helixtrans-62.3-32.3-175.800000114.5G128 Y129G128-G132 PolarHBondContact O-N 2.91Å; Y129-G132 PolarHBondContact O-N 3.37Å
133N93.4Very high95.8Very high121 Ų12143.7 Ų43.765%0.64724%0.235SC*.THydrogen-bonded Turntrans-914.9178.5-70.2-67.9000114.2Y129 I131 P135Y129-N133 WeakPolarHBondContact O-CB 3.25Å; Y129-N133 PolarHBondContact O-N 3.23Å; Y129-N133 PolarHBondContact O-ND2 3.02Å; I131-N133 VanDerWaalsContact C-N 3.28Å; I131-N133 PolarHBondContact O-N 2.82Å; N133-P135 WeakPolarHBondContact O-CD 3.38Å
134A94.8Very high95.8Very high13 Ų1341.9 Ų41.911%0.10722%0.222CC..  trans-87.1102.217700000111.3M115 A130 I131 E136 L137 A138M115-A134 HydrophobicContact CE-CB 3.6Å; A130-A134 PolarHBondContact O-N 3.45Å; I131-A134 WeakPolarHBondContact O-CB 3.31Å; I131-A134 PolarHBondContact O-N 3.12Å; I131-A134 VanDerWaalsContact O-N 3.15Å; A134-E136 VanDerWaalsContact C-N 3.25Å; A134-E136 PolarHBondContact O-N 2.91Å; A134-L137 HydrophobicContact CB-CB 4.22Å; A134-L137 HydrophobicContact CB-CD1 3.87Å; A134-L137 HydrophobicContact CB-CG 3.88Å; A134-L137 PolarHBondContact O-N 2.94Å; A134-A138 PolarHBondContact O-N 3.42Å; A134-A138 VanDerWaalsContact O-N 3.08Å
135P93.9Very high95.5Very high78 Ų7841.7 Ų41.751%0.50622%0.221SC..Hα-helixtrans-67.8-26.8-176.229.8-36.8000112.6N133 L137 K139N133-P135 WeakPolarHBondContact O-CD 3.38Å; P135-L137 VanDerWaalsContact C-N 3.35Å; P135-K139 WeakPolarHBondContact O-CB 3.42Å; P135-K139 PolarHBondContact O-N 2.82Å
136E94.9Very high95Very high96 Ų9644.7 Ų44.745%0.44923%0.229SC..Hα-helixtrans-58.9-46.9174.3-60.1-179.6146.400110.5T111 R114 A134 A140T111-E136 WeakPolarHBondContact CB-OE2 3.39Å; T111-E136 HydrophobicContact CG2-CB 4.14Å; T111-E136 WeakPolarHBondContact CG2-OE2 3.37Å; T111-E136 PolarHBondContact OG1-OE2 3.44Å; R114-E136 VanDerWaalsContact NH2-CD 3.31Å; R114-E136 IonicContact NH2-OE1 2.98Å; R114-E136 PolarHBondContact NH2-OE1 2.98Å; R114-E136 IonicContact NH2-OE2 2.82Å; R114-E136 PolarHBondContact NH2-OE2 2.75Å; A134-E136 VanDerWaalsContact C-N 3.25Å; A134-E136 PolarHBondContact O-N 2.91Å; E136-A140 PolarHBondContact O-N 2.92Å
137L96.5Very high94.1Very high0 Ų045.1 Ų45.10%023%0.23CC..Hα-helixtrans-73.3-44.3-179.9-54.7-176.6000112.1W5 F22 L97 T111 L112 M115 I131 A134 P135 K139 A140 H141W5-L137 HydrophobicContact CH2-CB 4.01Å; F22-L137 HydrophobicContact CD1-CD2 3.6Å; F22-L137 HydrophobicContact CD2-CD2 4.48Å; F22-L137 HydrophobicContact CE1-CB 4.22Å; F22-L137 HydrophobicContact CE1-CD2 3.68Å; F22-L137 HydrophobicContact CG-CD2 4.03Å; F22-L137 HydrophobicContact CZ-CD2 4.18Å; L97-L137 HydrophobicContact CD1-CD1 3.94Å; T111-L137 HydrophobicContact CG2-CD2 3.99Å; L112-L137 HydrophobicContact CD2-CD2 3.76Å; M115-L137 HydrophobicContact CE-CD1 3.59Å; M115-L137 HydrophobicContact SD-CD1 3.85Å; I131-L137 HydrophobicContact CG2-CD1 4.47Å; A134-L137 HydrophobicContact CB-CB 4.22Å; A134-L137 HydrophobicContact CB-CD1 3.87Å; A134-L137 HydrophobicContact CB-CG 3.88Å; A134-L137 PolarHBondContact O-N 2.94Å; P135-L137 VanDerWaalsContact C-N 3.35Å; L137-K139 VanDerWaalsContact C-N 3.25Å; L137-K139 PolarHBondContact O-N 3.34Å; L137-A140 PolarHBondContact O-N 3.37Å; L137-H141 VanDerWaalsContact O-CB 3.24Å; L137-H141 WeakPolarHBondContact O-CB 3.39Å; L137-H141 PolarHBondContact O-N 2.99Å
138A95.2Very high92.8Very high3 Ų351.8 Ų51.83%0.02526%0.261CS..Hα-helixtrans-61.4-35.1177.800000112W5 A134 N142W5-A138 HydrophobicContact CD2-CB 4.35Å; W5-A138 HydrophobicContact CH2-CB 4.45Å; W5-A138 HydrophobicContact CZ2-CB 3.69Å; A134-A138 PolarHBondContact O-N 3.42Å; A134-A138 VanDerWaalsContact O-N 3.08Å; A138-N142 VanDerWaalsContact O-CB 3.28Å; A138-N142 WeakPolarHBondContact O-CB 3.37Å; A138-N142 VanDerWaalsContact O-CG 3.23Å; A138-N142 PolarHBondContact O-N 3.34Å; A138-N142 PolarHBondContact O-ND2 2.89Å
139K95.1Very high91.1Very high162 Ų16255.2 Ų55.270%0.70428%0.284SS*.Hα-helixtrans-66.9-53.3174.9-176.2-171174.5-164.90111.5P135 L137 H141 N142 S143P135-K139 WeakPolarHBondContact O-CB 3.42Å; P135-K139 PolarHBondContact O-N 2.82Å; L137-K139 VanDerWaalsContact C-N 3.25Å; L137-K139 PolarHBondContact O-N 3.34Å; K139-H141 VanDerWaalsContact C-N 3.31Å; K139-H141 PolarHBondContact O-N 3.34Å; K139-N142 PolarHBondContact O-N 2.97Å; K139-S143 PolarHBondContact O-N 2.95Å; K139-S143 PolarHBondContact O-OG 3.2Å; K139-S143 VanDerWaalsContact O-OG 3.12Å
140A96.5Very high89.3Confident7 Ų757.7 Ų57.76%0.05829%0.292CS..Hα-helixtrans-62.8-36.4-179.600000112.6L18 D21 F22 E136 L137 S143 H144L18-A140 HydrophobicContact CD1-CB 4.23Å; L18-A140 WeakPolarHBondContact CD1-O 3.3Å; D21-A140 HydrophobicContact CB-CB 4.03Å; F22-A140 HydrophobicContact CD1-CB 3.83Å; F22-A140 HydrophobicContact CE1-CB 3.79Å; E136-A140 PolarHBondContact O-N 2.92Å; L137-A140 PolarHBondContact O-N 3.37Å; A140-S143 WeakPolarHBondContact CA-OG 3.36Å; A140-S143 PolarHBondContact O-OG 2.95Å; A140-H144 PolarHBondContact O-CD2 2.83Å; A140-H144 VanDerWaalsContact O-CD2 3.3Å
141H96.3Very high87Confident0 Ų065.6 Ų65.60%033%0.326CS..Hα-helixtrans-62.2-52.8171.2-177.2102.8000111.2W5 L6 L8 T93 L137 K139 S143 H144W5-H141 HydrophobicContact CE3-CB 3.83Å; W5-H141 AromaticContact CE3-CD2 3.51Å; W5-H141 AromaticContact CE3-CE1 3.74Å; W5-H141 AromaticContact CE3-CG 3.39Å; W5-H141 AromaticContact CE3-ND1 3.54Å; W5-H141 AromaticContact CE3-NE2 3.69Å; W5-H141 HydrophobicContact CZ3-CB 3.72Å; W5-H141 AromaticContact CZ3-CG 3.63Å; W5-H141 AromaticContact CZ3-ND1 3.61Å; L6-H141 PolarHBondContact O-NE2 3.24Å; L8-H141 WeakPolarHBondContact CD1-CE1 3.31Å; L8-H141 VanDerWaalsContact CD1-ND1 3.35Å; L8-H141 WeakPolarHBondContact CD1-ND1 3.45Å; T93-H141 PolarHBondContact OG1-ND1 3.43Å; L137-H141 VanDerWaalsContact O-CB 3.24Å; L137-H141 WeakPolarHBondContact O-CB 3.39Å; L137-H141 PolarHBondContact O-N 2.99Å; K139-H141 VanDerWaalsContact C-N 3.31Å; K139-H141 PolarHBondContact O-N 3.34Å; H141-S143 VanDerWaalsContact C-N 3.29Å; H141-S143 PolarHBondContact O-N 2.78Å; H141-H144 PolarHBondContact O-N 3.2Å
142N94.5Very high84.7Confident39 Ų3971.7 Ų71.721%0.20936%0.358CS..Hα-helixtrans-70-19.3-177-72.5-21000114.1G4 W5 L6 A138 K139 H144G4-N142 PolarHBondContact O-ND2 3.22Å; W5-N142 WeakPolarHBondContact CA-OD1 3.35Å; L6-N142 HydrophobicContact CD1-CB 4.38Å; L6-N142 PolarHBondContact N-OD1 2.99Å; A138-N142 VanDerWaalsContact O-CB 3.28Å; A138-N142 WeakPolarHBondContact O-CB 3.37Å; A138-N142 VanDerWaalsContact O-CG 3.23Å; A138-N142 PolarHBondContact O-N 3.34Å; A138-N142 PolarHBondContact O-ND2 2.89Å; K139-N142 PolarHBondContact O-N 2.97Å; N142-H144 VanDerWaalsContact C-N 3.32Å
143S94.5Very high82.2Confident57 Ų5776.2 Ų76.240%0.39939%0.386SS..Hα-helixtrans-73.1-21.1174.341.20000114.2K139 A140 H141 T667K139-S143 PolarHBondContact O-N 2.95Å; K139-S143 PolarHBondContact O-OG 3.2Å; K139-S143 VanDerWaalsContact O-OG 3.12Å; A140-S143 WeakPolarHBondContact CA-OG 3.36Å; A140-S143 PolarHBondContact O-OG 2.95Å; H141-S143 VanDerWaalsContact C-N 3.29Å; H141-S143 PolarHBondContact O-N 2.78Å; S143-T667 WeakPolarHBondContact O-CG2 3.39Å
144H95.1Very high80.5Confident8 Ų878.9 Ų78.94%0.03740%0.395CS..SBendtrans-95.3-4175.1-70.6-55.7000114L8 L14 L17 L18 A140 H141 N142 D663L8-H144 HydrophobicContact CD2-CB 4.09Å; L14-H144 HydrophobicContact CD1-CB 4.35Å; L14-H144 HydrophobicContact CD2-CB 3.74Å; L14-H144 HydrophobicContact CG-CB 3.88Å; L17-H144 VanDerWaalsContact CB-CE1 3.48Å; L17-H144 WeakPolarHBondContact CB-CE1 3.4Å; L18-H144 PolarHBondContact N-NE2 2.83Å; A140-H144 PolarHBondContact O-CD2 2.83Å; A140-H144 VanDerWaalsContact O-CD2 3.3Å; H141-H144 PolarHBondContact O-N 3.2Å; N142-H144 VanDerWaalsContact C-N 3.32Å; H144-D663 IonicContact CE1-OD2 3.64Å; H144-D663 PolarHBondContact CE1-OD2 3.37Å; H144-D663 IonicContact CG-OD1 3.17Å; H144-D663 IonicContact ND1-OD1 3.79Å; H144-D663 PolarHBondContact ND1-OD1 2.86Å; H144-D663 IonicContact ND1-OD2 3.67Å; H144-D663 PolarHBondContact ND1-OD2 3.35Å
145A92.8Very high77.8Confident6 Ų687.7 Ų87.75%0.0543%0.43CS..SBendtrans-80.2154.9177.700000111.9L6 L8L6-A145 HydrophobicContact CB-CB 3.43Å; L6-A145 VanDerWaalsContact CB-CB 3.43Å; L6-A145 HydrophobicContact CD1-CB 3.75Å; L6-A145 HydrophobicContact CG-CB 4.23Å; L8-A145 HydrophobicContact CD2-CB 3.85Å
146R86.2Confident75.2Confident155 Ų15590 Ų9059%0.58544%0.435SS*.PPolyproline II helixtrans-63.8140.5168.1-67.6-178.1179.6-1150.2109.5E9 E148 R666E9-R146 IonicContact OE1-CZ 3.3Å; E9-R146 IonicContact OE1-NE 2.72Å; E9-R146 PolarHBondContact OE1-NE 2.81Å; E9-R146 IonicContact OE1-NH2 3.34Å; E9-R146 PolarHBondContact OE1-NH2 2.91Å; R146-E148 PolarHBondContact O-N 2.78Å; R146-R666 HydrophobicContact CG-CG 4.16Å
147P77.8Confident72.3Confident57 Ų5793.4 Ų93.437%0.3746%0.456SS..PPolyproline II helixtrans-56.4132.6170.9-25.134.7000111.4T667 N669P147-T667 WeakPolarHBondContact CD-O 3.49Å; P147-T667 WeakPolarHBondContact CG-O 3.49Å; P147-N669 HydrophobicContact CG-CB 4.31Å
148E71.1Confident69.6Low142 Ų14296.6 Ų96.666%0.66449%0.488SS*.PPolyproline II helixtrans-67.5131.3171.4-172.6172-153.600109.7R146 R150R146-E148 PolarHBondContact O-N 2.78Å; E148-R150 PolarHBondContact O-N 3.14Å
149P60.4Low67Low72 Ų72102 Ų10247%0.46852%0.516SS..  trans-61.1110.2-177.5-24.734.6000111.8H151 L152P149-H151 PolarHBondContact O-N 2.91Å; P149-L152 HydrophobicContact CB-CD1 4.26Å; P149-L152 HydrophobicContact CB-CG 4.29Å; P149-L152 HydrophobicContact CG-CD1 4.33Å; P149-L152 PolarHBondContact O-N 3.43Å
150R58.7Low64.2Low171 Ų17198.8 Ų98.865%0.64551%0.514SS*.THydrogen-bonded Turntrans-59.4-18.7-170.5-60.8-177.4-172.8152.24.4114.4E148 N669 E672E148-R150 PolarHBondContact O-N 3.14Å; R150-N669 PolarHBondContact NH2-ND2 3.25Å; R150-E672 IonicContact CZ-OE1 3.2Å; R150-E672 IonicContact NH1-OE1 3.85Å; R150-E672 PolarHBondContact NH1-OE1 3.25Å; R150-E672 IonicContact NH2-OE1 2.72Å; R150-E672 PolarHBondContact NH2-OE1 2.94Å
151H48.8Very low61.4Low182 Ų182103.5 Ų103.584%0.84355%0.553SS**THydrogen-bonded Turntrans-129.142.3-172.7-87.2-112.8000113.3P149 P153P149-H151 PolarHBondContact O-N 2.91Å; H151-P153 VanDerWaalsContact O-CD 3.27Å; H151-P153 WeakPolarHBondContact O-CD 3.36Å
152L49.5Very low58.4Low129 Ų129110.1 Ų110.168%0.67559%0.594SS**  trans-71.6115161.4-93.1165.7000109.7P149 E154P149-L152 HydrophobicContact CB-CD1 4.26Å; P149-L152 HydrophobicContact CB-CG 4.29Å; P149-L152 HydrophobicContact CG-CD1 4.33Å; P149-L152 PolarHBondContact O-N 3.43Å; L152-E154 PolarHBondContact O-N 3.28Å
153P41.3Very low55.6Low103 Ų103118.4 Ų118.467%0.66962%0.622SS**  trans-69.2120.5179.127.7-33.6000110.1H151 K155H151-P153 VanDerWaalsContact O-CD 3.27Å; H151-P153 WeakPolarHBondContact O-CD 3.36Å; P153-K155 PolarHBondContact O-N 3.43Å
154E55.7Low53Low177 Ų177121.2 Ų121.283%0.82764%0.637SS**SBendtrans-57.52.7-172.5-150.4-167.9154.500116L152L152-E154 PolarHBondContact O-N 3.28Å
155K38.4Very low51Low197 Ų197128.8 Ų128.886%0.85767%0.674SS**  trans-126.356.5-171.5-70.1176.1-178.7163.50112.8P153P153-K155 PolarHBondContact O-N 3.43Å
156Q39.5Very low49.5Very low127 Ų127132.8 Ų132.859%0.59369%0.692SS**  trans-133.847.1161.4-155.7167.673.300114.7G158 L159Q156-G158 PolarHBondContact O-N 3.5Å; Q156-L159 HydrophobicContact CG-CD1 4.35Å; Q156-L159 HydrophobicContact CG-CG 4.47Å
157N34.8Very low49Very low168 Ų168127.2 Ų127.290%0.89868%0.679SS**THydrogen-bonded Turntrans-69.855.1171.6-63.73.9000112.5
158G38.7Very low49.5Very low66 Ų66128.5 Ų128.568%0.6868%0.679SS**THydrogen-bonded Turntrans-157.20.1-168.300000118.4Q156Q156-G158 PolarHBondContact O-N 3.5Å
159L40.5Very low50.5Low116 Ų116122 Ų12261%0.60765%0.648SS**SBendtrans-125-20-178.5-67.9-179000116.2Q156 A161Q156-L159 HydrophobicContact CG-CD1 4.35Å; Q156-L159 HydrophobicContact CG-CG 4.47Å; L159-A161 VanDerWaalsContact C-N 3.28Å; L159-A161 PolarHBondContact O-N 3.01Å
160S37.8Very low52.1Low96 Ų96119 Ų11967%0.67163%0.629SS**G310 helixtrans-77.92.4-171.1-58.70000116.4V162 R163S160-V162 PolarHBondContact O-N 3.45Å; S160-R163 CarbonylContact O-C 3.53Å; S160-R163 PolarHBondContact O-N 3.47Å
161A36.1Very low53.9Low106 Ų106110.9 Ų110.988%0.87660%0.598SS**G310 helixtrans-64-4.2178.100000115.1L159L159-A161 VanDerWaalsContact C-N 3.28Å; L159-A161 PolarHBondContact O-N 3.01Å
162V33.2Very low56.3Low139 Ų139102.2 Ų102.284%0.84256%0.558SS**G310 helixtrans-101.6-9.1176.5-177.30000112.2S160S160-V162 PolarHBondContact O-N 3.45Å
163R36.6Very low58.6Low212 Ų21296.1 Ų96.180%0.853%0.526SS*.  trans-115.893166.1-71.5-177.5-178.3145.6-2.2108.5S160 M165S160-R163 CarbonylContact O-C 3.53Å; S160-R163 PolarHBondContact O-N 3.47Å; R163-M165 VanDerWaalsContact C-N 3.31Å; R163-M165 PolarHBondContact O-N 2.85Å
164T39.6Very low61.3Low117 Ų11791.3 Ų91.372%0.71849%0.494SS*.  trans-56.8103.8152.444.70000106.5E166T164-E166 WeakPolarHBondContact O-CG 3.22Å; T164-E166 PolarHBondContact O-N 3.09Å; T164-E166 VanDerWaalsContact O-N 3.12Å
165M52.6Low63.2Low166 Ų16684.8 Ų84.882%0.81847%0.467SS*.  trans-61.1117.7-173.5-161.8156.817600108.1R163 A167R163-M165 VanDerWaalsContact C-N 3.31Å; R163-M165 PolarHBondContact O-N 2.85Å; M165-A167 VanDerWaalsContact C-N 3.27Å; M165-A167 PolarHBondContact O-N 2.89Å
166E61.5Low65.9Low90 Ų9076.9 Ų76.942%0.42143%0.434SS..  trans-8079.9-170.9-54-148.7153.800109K51 T164 F168K51-E166 HydrophobicContact CD-CB 4.43Å; K51-E166 WeakPolarHBondContact CD-OE2 3.27Å; K51-E166 VanDerWaalsContact CE-CD 3.45Å; K51-E166 WeakPolarHBondContact CE-OE2 3.39Å; K51-E166 IonicContact NZ-OE1 2.69Å; K51-E166 PolarHBondContact NZ-OE1 3.22Å; K51-E166 IonicContact NZ-OE2 3.51Å; K51-E166 PolarHBondContact NZ-OE2 3.35Å; T164-E166 WeakPolarHBondContact O-CG 3.22Å; T164-E166 PolarHBondContact O-N 3.09Å; T164-E166 VanDerWaalsContact O-N 3.12Å; E166-F168 HydrophobicContact CB-CE2 4.29Å; E166-F168 WeakPolarHBondContact O-CD2 3.32Å; E166-F168 WeakPolarHBondContact O-CE2 3.43Å
167A76.3Confident68.4Low39 Ų3977.1 Ų77.132%0.32244%0.444SS..  trans-58.4139.8173.900000110.1W52 M165W52-A167 HydrophobicContact CB-CB 4.3Å; W52-A167 WeakPolarHBondContact CB-O 3.3Å; W52-A167 HydrophobicContact CE3-CB 4.18Å; W52-A167 PolarHBondContact N-O 2.78Å; M165-A167 VanDerWaalsContact C-N 3.27Å; M165-A167 PolarHBondContact O-N 2.89Å
168F88.1Confident71.2Confident83 Ų8370.9 Ų70.936%0.36442%0.42SS..EExtended strand (participates in β ladder)trans-112.6152.7171.6-69.7-98.8000109.3L49 F50 K51 E166 R227L49-F168 HydrophobicContact CD1-CB 3.58Å; L49-F168 HydrophobicContact CD2-CB 4.27Å; L49-F168 HydrophobicContact CD2-CD1 4.3Å; L49-F168 HydrophobicContact CG-CB 4.07Å; L49-F168 HydrophobicContact CG-CD1 4.18Å; F50-F168 WeakPolarHBondContact O-CA 3.18Å; K51-F168 HydrophobicContact CB-CD1 4.08Å; K51-F168 HydrophobicContact CB-CE1 3.85Å; K51-F168 HydrophobicContact CB-CZ 4.39Å; E166-F168 HydrophobicContact CB-CE2 4.29Å; E166-F168 WeakPolarHBondContact O-CD2 3.32Å; E166-F168 WeakPolarHBondContact O-CE2 3.43Å; F168-R227 HydrophobicContact CE1-CB 4.15Å
169H92.2Very high73.9Confident5 Ų572.3 Ų72.32%0.02341%0.405CS..EExtended strand (participates in β ladder)trans-132.9135-179.6-172.346.3000112.5L49 F50 W52 D184L49-H169 VanDerWaalsContact CD1-C 3.48Å; L49-H169 WeakPolarHBondContact CD1-O 3.39Å; F50-H169 HydrophobicContact CE2-CB 4.37Å; F50-H169 HydrophobicContact CZ-CB 4.28Å; F50-H169 AromaticContact CZ-CD2 3.88Å; F50-H169 PolarHBondContact N-O 3.25Å; F50-H169 VanDerWaalsContact N-O 3.13Å; F50-H169 PolarHBondContact O-N 3.43Å; W52-H169 HydrophobicContact CB-CB 4.16Å; W52-H169 HydrophobicContact CG-CB 4.43Å; H169-D184 IonicContact CD2-OD1 3.46Å; H169-D184 IonicContact CE1-OD1 3.13Å; H169-D184 IonicContact NE2-OD1 2.69Å; H169-D184 PolarHBondContact NE2-OD1 3.07Å
170F95.1Very high76.6Confident11 Ų1166.8 Ų66.85%0.04838%0.376CS..EExtended strand (participates in β ladder)trans-96.2137179-67.1-83.8000111F15 I47 F48 L49 C91 A92 A95 M231F15-F170 HydrophobicContact CE1-CE1 4.44Å; F15-F170 HydrophobicContact CE2-CE1 4.41Å; F15-F170 HydrophobicContact CE2-CZ 4.18Å; F15-F170 HydrophobicContact CZ-CD1 4.32Å; F15-F170 AromaticContact CZ-CE1 3.69Å; F15-F170 HydrophobicContact CZ-CE1 3.69Å; F15-F170 HydrophobicContact CZ-CE2 4.31Å; F15-F170 AromaticContact CZ-CZ 3.69Å; F15-F170 HydrophobicContact CZ-CZ 3.69Å; I47-F170 HydrophobicContact CG2-CB 4.45Å; I47-F170 HydrophobicContact CG2-CD1 3.57Å; I47-F170 HydrophobicContact CG2-CE1 4.27Å; I47-F170 HydrophobicContact CG2-CG 4.4Å; F48-F170 WeakPolarHBondContact O-CA 3.48Å; L49-F170 HydrophobicContact CB-CD1 3.93Å; L49-F170 HydrophobicContact CB-CE1 3.85Å; L49-F170 HydrophobicContact CD1-CD1 3.67Å; L49-F170 HydrophobicContact CD1-CD2 3.81Å; L49-F170 HydrophobicContact CD1-CE1 3.66Å; L49-F170 HydrophobicContact CD1-CE2 3.79Å; L49-F170 HydrophobicContact CD1-CG 3.76Å; L49-F170 HydrophobicContact CD1-CZ 3.71Å; L49-F170 HydrophobicContact CD2-CE1 3.93Å; L49-F170 HydrophobicContact CD2-CZ 3.92Å; L49-F170 HydrophobicContact CG-CD1 4.3Å; L49-F170 HydrophobicContact CG-CE1 4.02Å; L49-F170 HydrophobicContact CG-CZ 4.29Å; C91-F170 HydrophobicContact CB-CD2 4.1Å; A92-F170 HydrophobicContact CB-CD2 4.21Å; A92-F170 HydrophobicContact CB-CE2 3.93Å; A92-F170 HydrophobicContact CB-CZ 4.46Å; A95-F170 HydrophobicContact CB-CB 3.63Å; F170-M231 HydrophobicContact CE1-CE 3.95Å
171V95.8Very high79.5Confident0 Ų062.5 Ų62.50%035%0.345CS..EExtended strand (participates in β ladder)trans-136138.3176.4170.40000109.1F48 F50 Y173 E182 D184F48-V171 PolarHBondContact N-O 3.4Å; F48-V171 PolarHBondContact O-N 3.21Å; F50-V171 HydrophobicContact CE1-CB 4.13Å; F50-V171 HydrophobicContact CE1-CG2 3.56Å; F50-V171 HydrophobicContact CZ-CG2 3.95Å; V171-Y173 HydrophobicContact CG1-CE2 4.34Å; V171-E182 HydrophobicContact CG1-CG 3.39Å; V171-D184 HydrophobicContact CB-CB 4.43Å; V171-D184 HydrophobicContact CG1-CB 4Å; V171-D184 HydrophobicContact CG2-CB 3.61Å
172S98.3Very high82.4Confident0 Ų057.6 Ų57.60%030%0.304CS..EExtended strand (participates in β ladder)trans-102.1142.9-176.3-59.60000112.4F46 A95 E182 L183F46-S172 CarbonylContact O-C 3.59Å; F46-S172 VanDerWaalsContact O-CA 3.3Å; F46-S172 WeakPolarHBondContact O-CA 3.19Å; A95-S172 WeakPolarHBondContact CA-OG 3.45Å; A95-S172 WeakPolarHBondContact CB-OG 2.86Å; A95-S172 PolarHBondContact O-OG 2.95Å; S172-E182 CarbonylContact O-C 3.45Å; S172-E182 WeakPolarHBondContact O-CA 3.12Å; S172-L183 PolarHBondContact N-O 3.2Å; S172-L183 PolarHBondContact O-N 3.48Å
173Y98Very high85.4Confident0 Ų051.1 Ų51.10%027%0.265CS..EExtended strand (participates in β ladder)trans-117.1121172.8-69.8-85000109.6G45 F46 F48 V171 L180 F181 E182 H193 V209 I210 R213G45-Y173 CarbonylContact C-O 3.53Å; G45-Y173 VanDerWaalsContact CA-O 3.24Å; G45-Y173 WeakPolarHBondContact CA-O 3.32Å; F46-Y173 PolarHBondContact N-O 3.41Å; F46-Y173 PolarHBondContact O-N 2.9Å; F48-Y173 HydrophobicContact CB-CD2 4.2Å; F48-Y173 HydrophobicContact CB-CE2 3.87Å; F48-Y173 HydrophobicContact CD1-CE2 4.38Å; F48-Y173 HydrophobicContact CG-CE2 4.42Å; V171-Y173 HydrophobicContact CG1-CE2 4.34Å; Y173-L180 HydrophobicContact CD1-CD1 4.47Å; Y173-F181 VanDerWaalsContact CA-O 3.31Å; Y173-F181 WeakPolarHBondContact CA-O 3.36Å; Y173-E182 HydrophobicContact CD1-CB 4Å; Y173-E182 HydrophobicContact CD1-CG 4.36Å; Y173-E182 HydrophobicContact CE1-CB 3.6Å; Y173-E182 HydrophobicContact CE1-CG 3.69Å; Y173-E182 WeakPolarHBondContact CE1-OE2 3.4Å; Y173-E182 VanDerWaalsContact OH-CD 3.28Å; Y173-E182 PolarHBondContact OH-OE2 3.35Å; Y173-H193 AromaticContact CE1-NE2 3.92Å; Y173-V209 HydrophobicContact CE1-CG1 3.88Å; Y173-I210 HydrophobicContact CD2-CD1 3.75Å; Y173-I210 HydrophobicContact CD2-CG1 3.94Å; Y173-I210 HydrophobicContact CE2-CD1 4.03Å; Y173-I210 HydrophobicContact CE2-CG1 3.7Å; Y173-I210 HydrophobicContact CG-CD1 4.23Å; Y173-I210 HydrophobicContact CG-CG1 4.46Å; Y173-R213 WeakPolarHBondContact OH-CD 3.44Å; Y173-R213 PolarHBondContact OH-NH1 3.44Å
174V97.5Very high88.2Confident2 Ų241.1 Ų41.11%0.01223%0.227CC..EExtended strand (participates in β ladder)trans-134.9143.8-173.1-67.80000112.8V99 I176 F181 L183V99-V174 HydrophobicContact CB-CG1 4.28Å; V99-V174 HydrophobicContact CG1-CG1 4.4Å; V99-V174 HydrophobicContact CG2-CG1 3.99Å; V174-I176 HydrophobicContact CG2-CD1 3.91Å; V174-I176 HydrophobicContact CG2-CG1 3.98Å; V174-F181 HydrophobicContact CG2-CB 4.1Å; V174-F181 PolarHBondContact N-O 2.94Å; V174-F181 PolarHBondContact O-N 3.34Å; V174-L183 HydrophobicContact CG2-CD1 3.67Å; V174-L183 HydrophobicContact CG2-CG 4.07Å
175P96.4Very high90.9Very high40 Ų4036.2 Ų36.226%0.2620%0.199SC..EExtended strand (participates in β ladder)trans-81.5121.4168.232.8-32.1000110.4W196 W202P175-W196 HydrophobicContact CB-CH2 3.73Å; P175-W196 HydrophobicContact CB-CZ3 4.01Å; P175-W202 HydrophobicContact CB-CB 4.26Å; P175-W202 HydrophobicContact CB-CD2 3.85Å; P175-W202 HydrophobicContact CB-CE3 4.26Å; P175-W202 HydrophobicContact CB-CG 3.84Å; P175-W202 HydrophobicContact CG-CD2 3.81Å; P175-W202 HydrophobicContact CG-CE3 4.28Å; P175-W202 HydrophobicContact CG-CG 4.14Å; P175-W202 HydrophobicContact CG-CZ2 4.08Å
176I95.2Very high92.7Very high32 Ų3231.6 Ų31.616%0.16418%0.178CC..EExtended strand (participates in β ladder)trans-129.7127.9171.7-52.2177.2000107.7M80 N102 V174 G178 R179 F181M80-I176 HydrophobicContact CB-CD1 4.1Å; M80-I176 HydrophobicContact SD-CD1 4.41Å; N102-I176 HydrophobicContact CB-CD1 4.25Å; N102-I176 HydrophobicContact CB-CG1 4.49Å; V174-I176 HydrophobicContact CG2-CD1 3.91Å; V174-I176 HydrophobicContact CG2-CG1 3.98Å; I176-G178 PolarHBondContact O-N 3.48Å; I176-R179 PolarHBondContact N-O 3.5Å; I176-R179 PolarHBondContact O-N 2.87Å; I176-R179 VanDerWaalsContact O-O 3.09Å; I176-F181 HydrophobicContact CB-CD2 3.68Å; I176-F181 HydrophobicContact CB-CE2 3.84Å; I176-F181 HydrophobicContact CD1-CB 4.48Å; I176-F181 HydrophobicContact CD1-CD2 4.06Å; I176-F181 HydrophobicContact CD1-CG 4.37Å; I176-F181 HydrophobicContact CG1-CD2 4.02Å
177T92.8Very high94.2Very high131 Ų13129.8 Ų29.880%0.80417%0.168SC*.THydrogen-bonded Turntrans45.939.1175.251.90000115.6
178G93Very high95Very high37 Ų3732.2 Ų32.238%0.38118%0.179SC..THydrogen-bonded Turntrans82.510.4179.100000115I176 P195 W196I176-G178 PolarHBondContact O-N 3.48Å; G178-P195 WeakPolarHBondContact O-CA 3.35Å; G178-P195 WeakPolarHBondContact O-CB 3.46Å; G178-W196 VanDerWaalsContact C-CH2 3.45Å; G178-W196 VanDerWaalsContact C-CZ3 3.43Å
179R95.7Very high95.3Very high97 Ų9731.5 Ų31.537%0.36617%0.174SC..EExtended strand (participates in β ladder)trans-127.4149.6-178.1-51.7178.77290.2-6.2110.8I176 F181 D192I176-R179 PolarHBondContact N-O 3.5Å; I176-R179 PolarHBondContact O-N 2.87Å; I176-R179 VanDerWaalsContact O-O 3.09Å; R179-F181 HydrophobicContact CB-CD2 4.41Å; R179-F181 HydrophobicContact CB-CE2 3.82Å; R179-F181 HydrophobicContact CB-CZ 4.47Å; R179-D192 IonicContact CZ-OD1 3.24Å; R179-D192 IonicContact CZ-OD2 2.75Å; R179-D192 IonicContact NE-OD1 3.39Å; R179-D192 PolarHBondContact NE-OD1 3.27Å; R179-D192 IonicContact NE-OD2 3.55Å; R179-D192 PolarHBondContact NE-OD2 3.43Å; R179-D192 IonicContact NH2-OD1 3.78Å; R179-D192 IonicContact NH2-OD2 3.13Å; R179-D192 PolarHBondContact NH2-OD2 2.84Å
180L97.4Very high95.5Very high0 Ų031.3 Ų31.30%017%0.173CC..EExtended strand (participates in β ladder)trans-93.5118.3178.917465.1000110.6Y173 H193 G194 W202 K205 A206 V209Y173-L180 HydrophobicContact CD1-CD1 4.47Å; L180-H193 HydrophobicContact CB-CB 4.2Å; L180-H193 HydrophobicContact CD2-CB 4.02Å; L180-H193 HydrophobicContact CG-CB 4.15Å; L180-H193 PolarHBondContact O-N 3.02Å; L180-G194 PolarHBondContact N-O 3.34Å; L180-W202 HydrophobicContact CD1-CE3 4.07Å; L180-W202 HydrophobicContact CD1-CZ3 4.24Å; L180-K205 HydrophobicContact CB-CG 4.26Å; L180-K205 HydrophobicContact CD2-CG 3.77Å; L180-A206 HydrophobicContact CD1-CB 4.03Å; L180-A206 HydrophobicContact CD2-CB 4.01Å; L180-V209 HydrophobicContact CD2-CB 4.44Å; L180-V209 HydrophobicContact CD2-CG2 4.05Å
181F97.5Very high95.6Very high6 Ų631.1 Ų31.13%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-105.4139.8176.1-72.7-89.2000112.6V71 M80 Y173 V174 I176 R179 L183 I191 D192V71-F181 HydrophobicContact CG2-CE1 3.88Å; M80-F181 HydrophobicContact CE-CD1 4.03Å; M80-F181 HydrophobicContact CE-CE1 3.73Å; M80-F181 HydrophobicContact CE-CZ 4.12Å; Y173-F181 VanDerWaalsContact CA-O 3.31Å; Y173-F181 WeakPolarHBondContact CA-O 3.36Å; V174-F181 HydrophobicContact CG2-CB 4.1Å; V174-F181 PolarHBondContact N-O 2.94Å; V174-F181 PolarHBondContact O-N 3.34Å; I176-F181 HydrophobicContact CB-CD2 3.68Å; I176-F181 HydrophobicContact CB-CE2 3.84Å; I176-F181 HydrophobicContact CD1-CB 4.48Å; I176-F181 HydrophobicContact CD1-CD2 4.06Å; I176-F181 HydrophobicContact CD1-CG 4.37Å; I176-F181 HydrophobicContact CG1-CD2 4.02Å; R179-F181 HydrophobicContact CB-CD2 4.41Å; R179-F181 HydrophobicContact CB-CE2 3.82Å; R179-F181 HydrophobicContact CB-CZ 4.47Å; F181-L183 HydrophobicContact CB-CD2 4.23Å; F181-I191 CarbonylContact C-O 3.58Å; F181-I191 VanDerWaalsContact CA-O 3.32Å; F181-I191 WeakPolarHBondContact CA-O 3.08Å; F181-D192 HydrophobicContact CD1-CB 4.14Å; F181-D192 HydrophobicContact CE1-CB 3.72Å; F181-D192 HydrophobicContact CZ-CB 4.32Å
182E97.5Very high95.6Very high3 Ų332.2 Ų32.21%0.01418%0.179CC..EExtended strand (participates in β ladder)trans-102.3118.6166.1178.6-176.7135.700109.7V171 S172 Y173 K187 I191 H193 R213V171-E182 HydrophobicContact CG1-CG 3.39Å; S172-E182 CarbonylContact O-C 3.45Å; S172-E182 WeakPolarHBondContact O-CA 3.12Å; Y173-E182 HydrophobicContact CD1-CB 4Å; Y173-E182 HydrophobicContact CD1-CG 4.36Å; Y173-E182 HydrophobicContact CE1-CB 3.6Å; Y173-E182 HydrophobicContact CE1-CG 3.69Å; Y173-E182 WeakPolarHBondContact CE1-OE2 3.4Å; Y173-E182 VanDerWaalsContact OH-CD 3.28Å; Y173-E182 PolarHBondContact OH-OE2 3.35Å; E182-K187 IonicContact OE1-NZ 2.75Å; E182-K187 PolarHBondContact OE1-NZ 2.69Å; E182-I191 HydrophobicContact CB-CB 4.19Å; E182-I191 PolarHBondContact N-O 3.41Å; E182-I191 PolarHBondContact O-N 2.8Å; E182-H193 WeakPolarHBondContact CB-NE2 3.24Å; E182-H193 IonicContact OE2-CE1 3.16Å; E182-H193 IonicContact OE2-NE2 2.77Å; E182-H193 PolarHBondContact OE2-NE2 2.75Å; E182-H193 VanDerWaalsContact OE2-NE2 3.17Å; E182-R213 IonicContact OE1-CZ 2.72Å; E182-R213 IonicContact OE1-NH1 3.24Å; E182-R213 PolarHBondContact OE1-NH1 2.91Å; E182-R213 IonicContact OE1-NH2 3.87Å; E182-R213 IonicContact OE2-NH1 2.93Å; E182-R213 PolarHBondContact OE2-NH1 3.24Å
183L97.2Very high95.4Very high3 Ų334.4 Ų34.42%0.01619%0.189CC..EExtended strand (participates in β ladder)trans-109.495.8-179.1-53.1-176.8000108.9M80 F82 N102 S172 V174 F181 P190M80-L183 HydrophobicContact SD-CD2 4.11Å; F82-L183 HydrophobicContact CB-CD2 4.29Å; F82-L183 HydrophobicContact CD2-CB 4.11Å; F82-L183 HydrophobicContact CD2-CD2 3.86Å; F82-L183 HydrophobicContact CD2-CG 4.5Å; F82-L183 HydrophobicContact CG-CD2 4.37Å; N102-L183 WeakPolarHBondContact ND2-CD1 3.24Å; S172-L183 PolarHBondContact N-O 3.2Å; S172-L183 PolarHBondContact O-N 3.48Å; V174-L183 HydrophobicContact CG2-CD1 3.67Å; V174-L183 HydrophobicContact CG2-CG 4.07Å; F181-L183 HydrophobicContact CB-CD2 4.23Å; L183-P190 HydrophobicContact CD2-CB 3.55Å
184D95.4Very high95.3Very high2 Ų235 Ų351%0.01119%0.194CC..  trans-104.3108.9175.1178.6-14.6000108.7R57 H169 V171 L186 K187R57-D184 IonicContact NH2-OD1 3.86Å; R57-D184 IonicContact NH2-OD2 2.68Å; R57-D184 PolarHBondContact NH2-OD2 2.94Å; H169-D184 IonicContact CD2-OD1 3.46Å; H169-D184 IonicContact CE1-OD1 3.13Å; H169-D184 IonicContact NE2-OD1 2.69Å; H169-D184 PolarHBondContact NE2-OD1 3.07Å; V171-D184 HydrophobicContact CB-CB 4.43Å; V171-D184 HydrophobicContact CG1-CB 4Å; V171-D184 HydrophobicContact CG2-CB 3.61Å; D184-L186 PolarHBondContact O-N 3.37Å; D184-L186 PolarHBondContact OD1-N 2.79Å; D184-K187 HydrophobicContact CB-CB 4.28Å; D184-K187 HydrophobicContact CB-CD 3.78Å; D184-K187 HydrophobicContact CB-CG 3.83Å; D184-K187 PolarHBondContact O-N 3.36Å; D184-K187 WeakPolarHBondContact OD2-CE 3.45Å
185G94.7Very high95.2Very high13 Ų1338.3 Ų38.313%0.13422%0.216CC..THydrogen-bonded Turntrans-63.7-7.9-178.200000115Q85Q85-G185 PolarHBondContact N-O 3.47Å
186L92.3Very high95.1Very high70 Ų7039.8 Ų39.837%0.36622%0.217SC..THydrogen-bonded Turntrans-103.913.8172.5-59.2178000112.9Q85 D184Q85-L186 HydrophobicContact CB-CD2 4.29Å; D184-L186 PolarHBondContact O-N 3.37Å; D184-L186 PolarHBondContact OD1-N 2.79Å
187K92.2Very high94.8Very high52 Ų5239.9 Ų39.923%0.22623%0.226CC..SBendtrans-105.7154.2166.8-69.6-178.2-172.8172.90110.4H84 E182 D184 I191H84-K187 PolarHBondContact CD2-O 3.48Å; H84-K187 VanDerWaalsContact CD2-O 3.27Å; H84-K187 PolarHBondContact NE2-O 3.49Å; E182-K187 IonicContact OE1-NZ 2.75Å; E182-K187 PolarHBondContact OE1-NZ 2.69Å; D184-K187 HydrophobicContact CB-CB 4.28Å; D184-K187 HydrophobicContact CB-CD 3.78Å; D184-K187 HydrophobicContact CB-CG 3.83Å; D184-K187 PolarHBondContact O-N 3.36Å; D184-K187 WeakPolarHBondContact OD2-CE 3.45Å; K187-I191 HydrophobicContact CD-CD1 4.17Å; K187-I191 HydrophobicContact CD-CG1 4.45Å
188V92.7Very high94.6Very high90 Ų9043.4 Ų43.455%0.54523%0.233SC..SBendtrans-69.4-37.5176.4-174.40000111.2H84H84-V188 PolarHBondContact NE2-O 3.41Å
189Y95.5Very high94.4Very high68 Ų6850.1 Ų50.127%0.26726%0.26SS..SBendtrans-127.1151.7-174.5-60.5-70.1000111.3V66 V71 I72V66-Y189 HydrophobicContact CG2-CE2 4.3Å; V71-Y189 VanDerWaalsContact O-CD1 3.3Å; V71-Y189 WeakPolarHBondContact O-CD1 3.41Å; I72-Y189 HydrophobicContact CB-CE1 4.49Å; I72-Y189 HydrophobicContact CG2-CE1 3.91Å; I72-Y189 HydrophobicContact CG2-CE2 4.36Å
190P96.2Very high94.1Very high0 Ų047.5 Ų47.50%025%0.252CS..  trans-72.9152168.333.1-32.3000110.1V71 V77 M80 F82 L183V71-P190 HydrophobicContact CB-CG 4.33Å; V71-P190 PolarHBondContact N-O 3.23Å; V77-P190 HydrophobicContact CG2-CG 3.88Å; M80-P190 HydrophobicContact CE-CG 4.14Å; M80-P190 HydrophobicContact SD-CB 4.01Å; M80-P190 HydrophobicContact SD-CG 3.78Å; F82-P190 HydrophobicContact CD1-CB 4.27Å; F82-P190 HydrophobicContact CD1-CG 4.11Å; F82-P190 HydrophobicContact CD2-CB 4.15Å; F82-P190 HydrophobicContact CE2-CB 4.43Å; F82-P190 HydrophobicContact CG-CB 4.06Å; F82-P190 HydrophobicContact CG-CG 4.26Å; L183-P190 HydrophobicContact CD2-CB 3.55Å
191I95.6Very high93.8Very high7 Ų751.4 Ų51.44%0.03627%0.27CS..EExtended strand (participates in β ladder)trans-106.4131.7179.2-70.8-169.6000110.5D67 T69 F181 E182 K187D67-I191 HydrophobicContact CB-CD1 4.42Å; T69-I191 WeakPolarHBondContact O-CA 2.94Å; T69-I191 WeakPolarHBondContact OG1-CG2 3.42Å; F181-I191 CarbonylContact C-O 3.58Å; F181-I191 VanDerWaalsContact CA-O 3.32Å; F181-I191 WeakPolarHBondContact CA-O 3.08Å; E182-I191 HydrophobicContact CB-CB 4.19Å; E182-I191 PolarHBondContact N-O 3.41Å; E182-I191 PolarHBondContact O-N 2.8Å; K187-I191 HydrophobicContact CD-CD1 4.17Å; K187-I191 HydrophobicContact CD-CG1 4.45Å
192D96.4Very high93.7Very high23 Ų2352.6 Ų52.612%0.12328%0.275CS..EExtended strand (participates in β ladder)trans-99.6112.5176.6-178.13.1000110T69 V71 R179 F181 G194T69-D192 WeakPolarHBondContact CB-O 3.48Å; T69-D192 PolarHBondContact O-N 2.96Å; V71-D192 HydrophobicContact CG2-CB 3.85Å; R179-D192 IonicContact CZ-OD1 3.24Å; R179-D192 IonicContact CZ-OD2 2.75Å; R179-D192 IonicContact NE-OD1 3.39Å; R179-D192 PolarHBondContact NE-OD1 3.27Å; R179-D192 IonicContact NE-OD2 3.55Å; R179-D192 PolarHBondContact NE-OD2 3.43Å; R179-D192 IonicContact NH2-OD1 3.78Å; R179-D192 IonicContact NH2-OD2 3.13Å; R179-D192 PolarHBondContact NH2-OD2 2.84Å; F181-D192 HydrophobicContact CD1-CB 4.14Å; F181-D192 HydrophobicContact CE1-CB 3.72Å; F181-D192 HydrophobicContact CZ-CB 4.32Å; D192-G194 PolarHBondContact O-N 3.43Å; D192-G194 VanDerWaalsContact OD1-CA 3.27Å; D192-G194 WeakPolarHBondContact OD1-CA 3.42Å; D192-G194 PolarHBondContact OD1-N 3.14Å
193H95.4Very high93.6Very high47 Ų4752.6 Ų52.622%0.21828%0.275CS..EExtended strand (participates in β ladder)trans-84.85.4175.4-69-82.7000112.4Y173 L180 E182 K205 V209Y173-H193 AromaticContact CE1-NE2 3.92Å; L180-H193 HydrophobicContact CB-CB 4.2Å; L180-H193 HydrophobicContact CD2-CB 4.02Å; L180-H193 HydrophobicContact CG-CB 4.15Å; L180-H193 PolarHBondContact O-N 3.02Å; E182-H193 WeakPolarHBondContact CB-NE2 3.24Å; E182-H193 IonicContact OE2-CE1 3.16Å; E182-H193 IonicContact OE2-NE2 2.77Å; E182-H193 PolarHBondContact OE2-NE2 2.75Å; E182-H193 VanDerWaalsContact OE2-NE2 3.17Å; H193-K205 WeakPolarHBondContact O-CE 3.43Å; H193-K205 PolarHBondContact O-NZ 2.76Å; H193-V209 HydrophobicContact CB-CG2 4.14Å; H193-V209 VanDerWaalsContact CE1-CG1 3.41Å; H193-V209 WeakPolarHBondContact CE1-CG1 3.32Å
194G94.3Very high93.4Very high11 Ų1153.7 Ų53.711%0.11328%0.281CS..EExtended strand (participates in β ladder)trans78-175.9-179.900000114L180 D192L180-G194 PolarHBondContact N-O 3.34Å; D192-G194 PolarHBondContact O-N 3.43Å; D192-G194 VanDerWaalsContact OD1-CA 3.27Å; D192-G194 WeakPolarHBondContact OD1-CA 3.42Å; D192-G194 PolarHBondContact OD1-N 3.14Å
195P95.6Very high93.3Very high72 Ų7255.4 Ų55.447%0.46829%0.288SS..EExtended strand (participates in β ladder)trans-70.3164.6177.431.2-35.8000112.7G178 K205G178-P195 WeakPolarHBondContact O-CA 3.35Å; G178-P195 WeakPolarHBondContact O-CB 3.46Å; P195-K205 WeakPolarHBondContact O-CE 3.3Å; P195-K205 PolarHBondContact O-NZ 2.64Å
196W94.1Very high93.3Very high72 Ų7254.8 Ų54.827%0.27328%0.282SS..PPolyproline II helixtrans-95.3169.5163.952.988.1000110.3P175 G178 E200 W202 K205P175-W196 HydrophobicContact CB-CH2 3.73Å; P175-W196 HydrophobicContact CB-CZ3 4.01Å; G178-W196 VanDerWaalsContact C-CH2 3.45Å; G178-W196 VanDerWaalsContact C-CZ3 3.43Å; W196-E200 HydrophobicContact CB-CB 4.41Å; W196-W202 HydrophobicContact CD2-CB 3.51Å; W196-W202 HydrophobicContact CE3-CB 3.36Å; W196-W202 HydrophobicContact CG-CB 4.26Å; W196-W202 HydrophobicContact CH2-CB 3.62Å; W196-W202 HydrophobicContact CH2-CG 4.43Å; W196-W202 HydrophobicContact CZ2-CB 3.77Å; W196-W202 HydrophobicContact CZ3-CB 3.41Å; W196-W202 VanDerWaalsContact CZ3-CB 3.41Å; W196-W202 HydrophobicContact CZ3-CG 4.45Å; W196-K205 HydrophobicContact CB-CB 3.78Å; W196-K205 HydrophobicContact CB-CG 4.16Å
197G90.3Very high93.3Very high34 Ų3452.3 Ų52.335%0.35127%0.267SS..PPolyproline II helixtrans-70.4159.4177.500000113.6D199 E200G197-D199 VanDerWaalsContact C-N 3.33Å; G197-D199 PolarHBondContact O-N 3.45Å; G197-E200 PolarHBondContact N-OE2 2.85Å; G197-E200 WeakPolarHBondContact O-CB 3.31Å; G197-E200 PolarHBondContact O-N 2.81Å
198E87.9Confident93.2Very high204 Ų20456.4 Ų56.495%0.95328%0.281SS*.THydrogen-bonded Turntrans-63-38.4179.2-63.8-179.2179.600112.3E200E198-E200 VanDerWaalsContact C-N 3.28Å; E198-E200 PolarHBondContact O-N 3.32Å
199D88.6Confident93.2Very high178 Ų17853 Ų5395%0.95226%0.261SS*.THydrogen-bonded Turntrans-84.89.4172.7-59-62.2000113.8G197G197-D199 VanDerWaalsContact C-N 3.33Å; G197-D199 PolarHBondContact O-N 3.45Å
200E89.7Confident93Very high43 Ų4349.8 Ų49.820%0.20125%0.248CC..SBendtrans-113.6143.4-172.3-159.3-167.3175.600112.3W196 G197 E198 D204 K205 R208W196-E200 HydrophobicContact CB-CB 4.41Å; G197-E200 PolarHBondContact N-OE2 2.85Å; G197-E200 WeakPolarHBondContact O-CB 3.31Å; G197-E200 PolarHBondContact O-N 2.81Å; E198-E200 VanDerWaalsContact C-N 3.28Å; E198-E200 PolarHBondContact O-N 3.32Å; E200-D204 HydrophobicContact CG-CB 3.94Å; E200-D204 WeakPolarHBondContact OE1-CB 3.18Å; E200-K205 WeakPolarHBondContact OE1-CA 3.2Å; E200-K205 PolarHBondContact OE1-N 2.92Å; E200-R208 IonicContact OE1-CZ 3.44Å; E200-R208 IonicContact OE1-NE 3.19Å; E200-R208 PolarHBondContact OE1-NE 2.98Å; E200-R208 IonicContact OE1-NH2 2.74Å; E200-R208 PolarHBondContact OE1-NH2 3.32Å; E200-R208 IonicContact OE2-CZ 3.31Å; E200-R208 IonicContact OE2-NH2 3.54Å; E200-R208 PolarHBondContact OE2-NH2 3.06Å
201E91.8Very high92.6Very high82 Ų8253 Ų5338%0.38326%0.264SS..  trans-79.6144.1164.3-70.2173.5-123.100111.1K38 T203 D204 K205K38-E201 IonicContact NZ-OE1 4Å; K38-E201 PolarHBondContact NZ-OE1 3.26Å; E201-T203 VanDerWaalsContact CB-OG1 3.26Å; E201-T203 WeakPolarHBondContact CB-OG1 3.44Å; E201-T203 PolarHBondContact O-N 2.85Å; E201-T203 PolarHBondContact OE2-OG1 2.76Å; E201-D204 PolarHBondContact O-N 3.2Å; E201-K205 PolarHBondContact O-N 2.74Å
202W95.1Very high92.2Very high31 Ų3158.9 Ų58.912%0.11729%0.291CS..Hα-helixtrans-53.5-28.4169.283.2-97000112.7V43 F46 P175 L180 W196 D204 K205 A206V43-W202 HydrophobicContact CB-CH2 4.43Å; V43-W202 HydrophobicContact CB-CZ2 3.75Å; V43-W202 HydrophobicContact CG1-CH2 3.99Å; V43-W202 HydrophobicContact CG1-CZ2 3.77Å; V43-W202 WeakPolarHBondContact O-CZ2 3.27Å; F46-W202 AromaticContact CD2-CH2 3.51Å; F46-W202 HydrophobicContact CD2-CH2 3.51Å; F46-W202 AromaticContact CD2-CZ3 3.62Å; F46-W202 HydrophobicContact CD2-CZ3 3.62Å; F46-W202 AromaticContact CE2-CH2 3.46Å; F46-W202 HydrophobicContact CE2-CH2 3.46Å; F46-W202 VanDerWaalsContact CE2-CH2 3.46Å; F46-W202 HydrophobicContact CE2-CZ2 4.3Å; F46-W202 AromaticContact CE2-CZ3 3.63Å; F46-W202 HydrophobicContact CE2-CZ3 3.63Å; P175-W202 HydrophobicContact CB-CB 4.26Å; P175-W202 HydrophobicContact CB-CD2 3.85Å; P175-W202 HydrophobicContact CB-CE3 4.26Å; P175-W202 HydrophobicContact CB-CG 3.84Å; P175-W202 HydrophobicContact CG-CD2 3.81Å; P175-W202 HydrophobicContact CG-CE3 4.28Å; P175-W202 HydrophobicContact CG-CG 4.14Å; P175-W202 HydrophobicContact CG-CZ2 4.08Å; L180-W202 HydrophobicContact CD1-CE3 4.07Å; L180-W202 HydrophobicContact CD1-CZ3 4.24Å; W196-W202 HydrophobicContact CD2-CB 3.51Å; W196-W202 HydrophobicContact CE3-CB 3.36Å; W196-W202 HydrophobicContact CG-CB 4.26Å; W196-W202 HydrophobicContact CH2-CB 3.62Å; W196-W202 HydrophobicContact CH2-CG 4.43Å; W196-W202 HydrophobicContact CZ2-CB 3.77Å; W196-W202 HydrophobicContact CZ3-CB 3.41Å; W196-W202 VanDerWaalsContact CZ3-CB 3.41Å; W196-W202 HydrophobicContact CZ3-CG 4.45Å; W202-D204 VanDerWaalsContact C-N 3.35Å; W202-K205 PolarHBondContact O-N 3.44Å; W202-A206 HydrophobicContact CE3-CB 4.01Å; W202-A206 HydrophobicContact CZ3-CB 3.84Å; W202-A206 WeakPolarHBondContact O-CB 3.44Å; W202-A206 PolarHBondContact O-N 2.9Å
203T94.8Very high91.6Very high2 Ų260.7 Ų60.71%0.01230%0.296CS..Hα-helixtrans-65.1-35.1177.665.60000112.1V43 E201 R207V43-T203 HydrophobicContact CB-CG2 4.15Å; V43-T203 HydrophobicContact CG2-CG2 4.15Å; E201-T203 VanDerWaalsContact CB-OG1 3.26Å; E201-T203 WeakPolarHBondContact CB-OG1 3.44Å; E201-T203 PolarHBondContact O-N 2.85Å; E201-T203 PolarHBondContact OE2-OG1 2.76Å; T203-R207 WeakPolarHBondContact O-CG 3.1Å; T203-R207 PolarHBondContact O-N 2.89Å; T203-R207 PolarHBondContact O-NH1 2.85Å
204D92.7Very high91Very high27 Ų2759.7 Ų59.714%0.14429%0.293CS..Hα-helixtrans-74-42.9178.3-65.6-32.7000110.3K38 E200 E201 W202 A206 R207 R208K38-D204 IonicContact NZ-OD1 3.85Å; K38-D204 IonicContact NZ-OD2 2.64Å; K38-D204 PolarHBondContact NZ-OD2 3.49Å; E200-D204 HydrophobicContact CG-CB 3.94Å; E200-D204 WeakPolarHBondContact OE1-CB 3.18Å; E201-D204 PolarHBondContact O-N 3.2Å; W202-D204 VanDerWaalsContact C-N 3.35Å; D204-A206 VanDerWaalsContact C-N 3.33Å; D204-A206 PolarHBondContact O-N 3.5Å; D204-R207 PolarHBondContact O-N 3.42Å; D204-R207 IonicContact OD1-CZ 3.01Å; D204-R207 IonicContact OD1-NH1 2.76Å; D204-R207 PolarHBondContact OD1-NH1 3.03Å; D204-R207 IonicContact OD1-NH2 2.68Å; D204-R207 PolarHBondContact OD1-NH2 2.79Å; D204-R208 WeakPolarHBondContact O-CG 3.37Å; D204-R208 PolarHBondContact O-N 3.39Å
205K94.3Very high90.2Very high38 Ų3860.2 Ų60.217%0.16530%0.297CS..Hα-helixtrans-55.9-46170.217679.8-178-146.50111.5L180 H193 P195 W196 E200 E201 W202 R208 V209L180-K205 HydrophobicContact CB-CG 4.26Å; L180-K205 HydrophobicContact CD2-CG 3.77Å; H193-K205 WeakPolarHBondContact O-CE 3.43Å; H193-K205 PolarHBondContact O-NZ 2.76Å; P195-K205 WeakPolarHBondContact O-CE 3.3Å; P195-K205 PolarHBondContact O-NZ 2.64Å; W196-K205 HydrophobicContact CB-CB 3.78Å; W196-K205 HydrophobicContact CB-CG 4.16Å; E200-K205 WeakPolarHBondContact OE1-CA 3.2Å; E200-K205 PolarHBondContact OE1-N 2.92Å; E201-K205 PolarHBondContact O-N 2.74Å; W202-K205 PolarHBondContact O-N 3.44Å; K205-R208 PolarHBondContact O-N 3.3Å; K205-V209 WeakPolarHBondContact O-CG2 3.45Å; K205-V209 PolarHBondContact O-N 3.34Å; K205-V209 VanDerWaalsContact O-N 3.13Å
206A95Very high89.2Confident0 Ų063 Ų630%031%0.308CS..Hα-helixtrans-64.1-45.1178.500000112.6F46 L180 W202 D204 R208 V209 I210F46-A206 HydrophobicContact CD2-CB 3.92Å; F46-A206 HydrophobicContact CE2-CB 3.84Å; L180-A206 HydrophobicContact CD1-CB 4.03Å; L180-A206 HydrophobicContact CD2-CB 4.01Å; W202-A206 HydrophobicContact CE3-CB 4.01Å; W202-A206 HydrophobicContact CZ3-CB 3.84Å; W202-A206 WeakPolarHBondContact O-CB 3.44Å; W202-A206 PolarHBondContact O-N 2.9Å; D204-A206 VanDerWaalsContact C-N 3.33Å; D204-A206 PolarHBondContact O-N 3.5Å; A206-R208 VanDerWaalsContact C-N 3.32Å; A206-R208 PolarHBondContact O-N 3.15Å; A206-V209 PolarHBondContact O-N 3.4Å; A206-I210 VanDerWaalsContact O-CG1 3.3Å; A206-I210 WeakPolarHBondContact O-CG1 3.34Å; A206-I210 PolarHBondContact O-N 3.49Å
207R91.7Very high87.9Confident17 Ų1760.5 Ų60.56%0.06430%0.303CS..Hα-helixtrans-64.3-35177-67.6-169.3-34.1-74.49.1112.1L35 S37 T203 D204 M211L35-R207 VanDerWaalsContact O-CD 3.32Å; L35-R207 WeakPolarHBondContact O-CD 3.33Å; L35-R207 PolarHBondContact O-NE 2.84Å; S37-R207 PolarHBondContact O-NE 3.33Å; S37-R207 PolarHBondContact O-NH2 3.38Å; T203-R207 WeakPolarHBondContact O-CG 3.1Å; T203-R207 PolarHBondContact O-N 2.89Å; T203-R207 PolarHBondContact O-NH1 2.85Å; D204-R207 PolarHBondContact O-N 3.42Å; D204-R207 IonicContact OD1-CZ 3.01Å; D204-R207 IonicContact OD1-NH1 2.76Å; D204-R207 PolarHBondContact OD1-NH1 3.03Å; D204-R207 IonicContact OD1-NH2 2.68Å; D204-R207 PolarHBondContact OD1-NH2 2.79Å; R207-M211 WeakPolarHBondContact O-CB 3.18Å; R207-M211 PolarHBondContact O-N 3.06Å
208R90.7Very high86.9Confident139 Ų13960.2 Ų60.253%0.52529%0.294SS..Hα-helixtrans-60.7-50.5172.3-71.3-173.8-66.4150.61.8112.2E200 D204 K205 A206 I210 M211 E212E200-R208 IonicContact OE1-CZ 3.44Å; E200-R208 IonicContact OE1-NE 3.19Å; E200-R208 PolarHBondContact OE1-NE 2.98Å; E200-R208 IonicContact OE1-NH2 2.74Å; E200-R208 PolarHBondContact OE1-NH2 3.32Å; E200-R208 IonicContact OE2-CZ 3.31Å; E200-R208 IonicContact OE2-NH2 3.54Å; E200-R208 PolarHBondContact OE2-NH2 3.06Å; D204-R208 WeakPolarHBondContact O-CG 3.37Å; D204-R208 PolarHBondContact O-N 3.39Å; K205-R208 PolarHBondContact O-N 3.3Å; A206-R208 VanDerWaalsContact C-N 3.32Å; A206-R208 PolarHBondContact O-N 3.15Å; R208-I210 PolarHBondContact O-N 3.44Å; R208-M211 PolarHBondContact O-N 3.06Å; R208-E212 PolarHBondContact O-N 2.72Å
209V92.6Very high85.8Confident19 Ų1955 Ų5512%0.11529%0.286CS..Hα-helixtrans-59.9-44.1178.1168.40000112.1Y173 L180 H193 K205 A206 E212 R213Y173-V209 HydrophobicContact CE1-CG1 3.88Å; L180-V209 HydrophobicContact CD2-CB 4.44Å; L180-V209 HydrophobicContact CD2-CG2 4.05Å; H193-V209 HydrophobicContact CB-CG2 4.14Å; H193-V209 VanDerWaalsContact CE1-CG1 3.41Å; H193-V209 WeakPolarHBondContact CE1-CG1 3.32Å; K205-V209 WeakPolarHBondContact O-CG2 3.45Å; K205-V209 PolarHBondContact O-N 3.34Å; K205-V209 VanDerWaalsContact O-N 3.13Å; A206-V209 PolarHBondContact O-N 3.4Å; V209-E212 PolarHBondContact O-N 3.31Å; V209-R213 WeakPolarHBondContact O-CB 3.26Å; V209-R213 PolarHBondContact O-N 2.99Å
210I91.1Very high84.4Confident0 Ų049.2 Ų49.20%027%0.268CS..Hα-helixtrans-67.8-40.5179.4-66.4164.9000110.9L35 F46 F48 Y173 A206 R208 R213 I214 L230L35-I210 HydrophobicContact CD2-CG2 4.41Å; F46-I210 HydrophobicContact CB-CD1 4.48Å; F48-I210 HydrophobicContact CD2-CG2 3.95Å; F48-I210 HydrophobicContact CE2-CG2 3.96Å; F48-I210 HydrophobicContact CG-CG2 4.43Å; F48-I210 HydrophobicContact CZ-CG2 4.45Å; Y173-I210 HydrophobicContact CD2-CD1 3.75Å; Y173-I210 HydrophobicContact CD2-CG1 3.94Å; Y173-I210 HydrophobicContact CE2-CD1 4.03Å; Y173-I210 HydrophobicContact CE2-CG1 3.7Å; Y173-I210 HydrophobicContact CG-CD1 4.23Å; Y173-I210 HydrophobicContact CG-CG1 4.46Å; A206-I210 VanDerWaalsContact O-CG1 3.3Å; A206-I210 WeakPolarHBondContact O-CG1 3.34Å; A206-I210 PolarHBondContact O-N 3.49Å; R208-I210 PolarHBondContact O-N 3.44Å; I210-R213 WeakPolarHBondContact O-CB 3.49Å; I210-R213 PolarHBondContact O-N 3.17Å; I210-I214 HydrophobicContact CG2-CD1 3.83Å; I210-I214 VanDerWaalsContact O-CG1 3.32Å; I210-I214 WeakPolarHBondContact O-CG1 3.39Å; I210-I214 PolarHBondContact O-N 2.99Å; I210-L230 HydrophobicContact CD1-CD1 3.86Å; I210-L230 HydrophobicContact CD1-CD2 4.34Å; I210-L230 HydrophobicContact CG2-CD2 4.5Å
211M87.4Confident82.9Confident68 Ų6853.4 Ų53.434%0.33529%0.288SS..Hα-helixtrans-64.1-40.9177.3-170.6-177.5-60.200112.1L35 R207 R208 I214 G215L35-M211 HydrophobicContact CB-CE 3.91Å; R207-M211 WeakPolarHBondContact O-CB 3.18Å; R207-M211 PolarHBondContact O-N 3.06Å; R208-M211 PolarHBondContact O-N 3.06Å; M211-I214 PolarHBondContact O-N 2.98Å; M211-G215 PolarHBondContact O-N 2.72Å
212E86.3Confident81.1Confident130 Ų13052.2 Ų52.261%0.60729%0.287SS*.Hα-helixtrans-60.6-48172.4-176.8177.8179.100111.4R208 V209 I214 G215 L216R208-E212 PolarHBondContact O-N 2.72Å; V209-E212 PolarHBondContact O-N 3.31Å; E212-I214 VanDerWaalsContact C-N 3.31Å; E212-I214 PolarHBondContact O-N 2.84Å; E212-G215 PolarHBondContact O-N 3.08Å; E212-L216 HydrophobicContact CG-CD1 4.06Å; E212-L216 HydrophobicContact CG-CG 4.47Å; E212-L216 WeakPolarHBondContact O-CB 3.47Å; E212-L216 WeakPolarHBondContact O-CG 3.36Å; E212-L216 PolarHBondContact O-N 3.41Å
213R84.3Confident79.2Confident60 Ų6058 Ų5823%0.22631%0.31CS..Hα-helixtrans-57.3-41.3177-172.5-178.9-177120-14112.4F48 F50 Y173 E182 V209 I210 A217F48-R213 HydrophobicContact CE1-CG 4.38Å; F50-R213 VanDerWaalsContact CZ-NH2 3.28Å; Y173-R213 WeakPolarHBondContact OH-CD 3.44Å; Y173-R213 PolarHBondContact OH-NH1 3.44Å; E182-R213 IonicContact OE1-CZ 2.72Å; E182-R213 IonicContact OE1-NH1 3.24Å; E182-R213 PolarHBondContact OE1-NH1 2.91Å; E182-R213 IonicContact OE1-NH2 3.87Å; E182-R213 IonicContact OE2-NH1 2.93Å; E182-R213 PolarHBondContact OE2-NH1 3.24Å; V209-R213 WeakPolarHBondContact O-CB 3.26Å; V209-R213 PolarHBondContact O-N 2.99Å; I210-R213 WeakPolarHBondContact O-CB 3.49Å; I210-R213 PolarHBondContact O-N 3.17Å; R213-A217 VanDerWaalsContact O-CB 3.24Å; R213-A217 WeakPolarHBondContact O-CB 3.46Å; R213-A217 PolarHBondContact O-N 2.94Å
214I82.6Confident77.3Confident27 Ų2765.7 Ų65.714%0.13835%0.346CS..Hα-helixtrans-68.7-44.6176.1-68.2164.5000111L35 F48 I210 M211 E212 L216 A217 T218 F228L35-I214 HydrophobicContact CD1-CD1 3.83Å; F48-I214 HydrophobicContact CE2-CD1 3.92Å; F48-I214 HydrophobicContact CE2-CG1 4.06Å; F48-I214 HydrophobicContact CZ-CD1 4.16Å; F48-I214 HydrophobicContact CZ-CG1 3.78Å; I210-I214 HydrophobicContact CG2-CD1 3.83Å; I210-I214 VanDerWaalsContact O-CG1 3.32Å; I210-I214 WeakPolarHBondContact O-CG1 3.39Å; I210-I214 PolarHBondContact O-N 2.99Å; M211-I214 PolarHBondContact O-N 2.98Å; E212-I214 VanDerWaalsContact C-N 3.31Å; E212-I214 PolarHBondContact O-N 2.84Å; I214-L216 PolarHBondContact O-N 2.87Å; I214-A217 PolarHBondContact O-N 2.59Å; I214-T218 WeakPolarHBondContact O-CB 3.41Å; I214-T218 PolarHBondContact O-N 3.01Å; I214-T218 PolarHBondContact O-OG1 2.74Å; I214-F228 HydrophobicContact CG1-CD1 4.46Å; I214-F228 HydrophobicContact CG1-CD2 4.38Å; I214-F228 HydrophobicContact CG1-CG 4.33Å; I214-F228 HydrophobicContact CG2-CD2 4.17Å; I214-F228 HydrophobicContact CG2-CE2 4.13Å
215G78.3Confident75.9Confident21 Ų2165.8 Ų65.822%0.21635%0.346CS..Hα-helixtrans-59.6-45.4177.600000112.7M211 E212 T218 A219 G220M211-G215 PolarHBondContact O-N 2.72Å; E212-G215 PolarHBondContact O-N 3.08Å; G215-T218 CarbonylContact O-C 3.54Å; G215-T218 PolarHBondContact O-N 3.41Å; G215-A219 PolarHBondContact O-N 3.42Å; G215-A219 VanDerWaalsContact O-N 3.14Å; G215-G220 PolarHBondContact O-N 3.24Å
216L74Confident74.3Confident130 Ų13071.9 Ų71.968%0.68138%0.379SS*.Hα-helixtrans-62.5-42.7173.6-69.7171.5000112.2E212 I214 T218 A219E212-L216 HydrophobicContact CG-CD1 4.06Å; E212-L216 HydrophobicContact CG-CG 4.47Å; E212-L216 WeakPolarHBondContact O-CB 3.47Å; E212-L216 WeakPolarHBondContact O-CG 3.36Å; E212-L216 PolarHBondContact O-N 3.41Å; I214-L216 PolarHBondContact O-N 2.87Å; L216-T218 VanDerWaalsContact C-N 3.26Å; L216-T218 PolarHBondContact O-N 2.71Å; L216-A219 PolarHBondContact O-N 3.36Å
217A66.5Low73.4Confident21 Ų2176.6 Ų76.617%0.17440%0.397CS..Hα-helixtrans-69.2-24.2179.800000113.5R56 R213 I214 F228R56-A217 PolarHBondContact NH1-O 3.31Å; R56-A217 PolarHBondContact NH2-O 3.3Å; R213-A217 VanDerWaalsContact O-CB 3.24Å; R213-A217 WeakPolarHBondContact O-CB 3.46Å; R213-A217 PolarHBondContact O-N 2.94Å; I214-A217 PolarHBondContact O-N 2.59Å; A217-F228 HydrophobicContact CB-CE1 4.33Å; A217-F228 HydrophobicContact CB-CZ 3.66Å
218T69.2Low73.2Confident27 Ų2778 Ų7817%0.16640%0.403CS..THydrogen-bonded Turntrans-10615.7-179.4-31.60000112.4I214 G215 L216 G220 E221 D225I214-T218 WeakPolarHBondContact O-CB 3.41Å; I214-T218 PolarHBondContact O-N 3.01Å; I214-T218 PolarHBondContact O-OG1 2.74Å; G215-T218 CarbonylContact O-C 3.54Å; G215-T218 PolarHBondContact O-N 3.41Å; L216-T218 VanDerWaalsContact C-N 3.26Å; L216-T218 PolarHBondContact O-N 2.71Å; T218-G220 PolarHBondContact O-N 3.46Å; T218-G220 VanDerWaalsContact O-N 3.16Å; T218-E221 VanDerWaalsContact CB-O 3.32Å; T218-E221 WeakPolarHBondContact CB-O 3.44Å; T218-E221 HydrophobicContact CG2-CB 4.36Å; T218-E221 WeakPolarHBondContact CG2-O 3.3Å; T218-E221 PolarHBondContact O-N 2.69Å; T218-E221 VanDerWaalsContact O-N 3.14Å; T218-D225 HydrophobicContact CG2-CB 3.92Å
219A64.4Low73.2Confident96 Ų9672.6 Ų72.679%0.79339%0.385SS*.THydrogen-bonded Turntrans55.828.9174.600000115.6G215 L216G215-A219 PolarHBondContact O-N 3.42Å; G215-A219 VanDerWaalsContact O-N 3.14Å; L216-A219 PolarHBondContact O-N 3.36Å
220G59.5Low73.3Confident55 Ų5572.2 Ų72.257%0.56738%0.382SS*.THydrogen-bonded Turntrans92.44-179.800000115.8G215 T218 P222G215-G220 PolarHBondContact O-N 3.24Å; T218-G220 PolarHBondContact O-N 3.46Å; T218-G220 VanDerWaalsContact O-N 3.16Å; G220-P222 WeakPolarHBondContact O-CD 3.48Å
221E59.4Low73.5Confident131 Ų13172.2 Ų72.261%0.61238%0.382SS*.  trans-97.489.8168.8-64.4-67.2168.300109.7T218T218-E221 VanDerWaalsContact CB-O 3.32Å; T218-E221 WeakPolarHBondContact CB-O 3.44Å; T218-E221 HydrophobicContact CG2-CB 4.36Å; T218-E221 WeakPolarHBondContact CG2-O 3.3Å; T218-E221 PolarHBondContact O-N 2.69Å; T218-E221 VanDerWaalsContact O-N 3.14Å
222P52.9Low74Confident57 Ų5769 Ų6937%0.3737%0.366SS..THydrogen-bonded Turntrans-71.3163.9179.331.8-37.6000112.4G220 H224G220-P222 WeakPolarHBondContact O-CD 3.48Å; P222-H224 PolarHBondContact O-N 3.42Å
223Y55.8Low74.5Confident154 Ų15462.9 Ų62.960%0.60434%0.338SS*.THydrogen-bonded Turntrans72.64.3166.6-41.6-63.9000119.2Q36Q36-Y223 PolarHBondContact NE2-OH 3.22Å
224H54.3Low75.1Confident163 Ų16360.7 Ų60.776%0.75533%0.331SS*.  trans-126-4-174.4-67.1-22.2000117.5P222 I226P222-H224 PolarHBondContact O-N 3.42Å; H224-I226 PolarHBondContact O-N 2.81Å
225D63.6Low75.8Confident29 Ų2961.4 Ų61.416%0.15534%0.337CS..  trans-88.6103.4176.2-166.7-11.5000112T218 R227 F228T218-D225 HydrophobicContact CG2-CB 3.92Å; D225-R227 PolarHBondContact O-N 2.98Å; D225-R227 VanDerWaalsContact OD1-CB 3.26Å; D225-R227 WeakPolarHBondContact OD1-CB 3.24Å; D225-R227 VanDerWaalsContact OD1-CG 3.31Å; D225-R227 WeakPolarHBondContact OD1-CG 3.48Å; D225-R227 IonicContact OD1-CZ 2.65Å; D225-R227 PolarHBondContact OD1-N 2.81Å; D225-R227 VanDerWaalsContact OD1-N 3.09Å; D225-R227 IonicContact OD1-NE 2.72Å; D225-R227 PolarHBondContact OD1-NE 3.16Å; D225-R227 IonicContact OD1-NH2 3.19Å; D225-R227 PolarHBondContact OD1-NH2 3.46Å; D225-R227 IonicContact OD2-CZ 3.86Å; D225-R227 IonicContact OD2-NE 3.44Å; D225-R227 PolarHBondContact OD2-NE 2.75Å; D225-R227 IonicContact OD2-NH2 2.78Å; D225-R227 PolarHBondContact OD2-NH2 3Å; D225-F228 HydrophobicContact CB-CD2 3.95Å; D225-F228 HydrophobicContact CB-CE2 3.72Å; D225-F228 WeakPolarHBondContact O-CD2 3.43Å
226I61.6Low76.6Confident165 Ų16560.7 Ų60.785%0.84633%0.328SS*.THydrogen-bonded Turntrans-69.15.8178.962.4169.6000114.7H224 F228H224-I226 PolarHBondContact O-N 2.81Å; I226-F228 VanDerWaalsContact C-N 3.34Å
227R76.1Confident77.6Confident100 Ų10057.4 Ų57.438%0.37731%0.307SS..THydrogen-bonded Turntrans-98.622.6-176.9-56.3172-62-165.43.1113.1K51 F168 D225K51-R227 HydrophobicContact CB-CB 4.15Å; K51-R227 PolarHBondContact N-O 3.14Å; F168-R227 HydrophobicContact CE1-CB 4.15Å; D225-R227 PolarHBondContact O-N 2.98Å; D225-R227 VanDerWaalsContact OD1-CB 3.26Å; D225-R227 WeakPolarHBondContact OD1-CB 3.24Å; D225-R227 VanDerWaalsContact OD1-CG 3.31Å; D225-R227 WeakPolarHBondContact OD1-CG 3.48Å; D225-R227 IonicContact OD1-CZ 2.65Å; D225-R227 PolarHBondContact OD1-N 2.81Å; D225-R227 VanDerWaalsContact OD1-N 3.09Å; D225-R227 IonicContact OD1-NE 2.72Å; D225-R227 PolarHBondContact OD1-NE 3.16Å; D225-R227 IonicContact OD1-NH2 3.19Å; D225-R227 PolarHBondContact OD1-NH2 3.46Å; D225-R227 IonicContact OD2-CZ 3.86Å; D225-R227 IonicContact OD2-NE 3.44Å; D225-R227 PolarHBondContact OD2-NE 2.75Å; D225-R227 IonicContact OD2-NH2 2.78Å; D225-R227 PolarHBondContact OD2-NH2 3Å
228F85.9Confident79Confident46 Ų4659 Ų5920%0.20231%0.309CS..EExtended strand (participates in β ladder)trans-122145172.9-61.7-66.4000109.7F48 L49 F50 I214 A217 D225 I226F48-F228 HydrophobicContact CE1-CD1 4.4Å; F48-F228 HydrophobicContact CE2-CB 4.15Å; F48-F228 HydrophobicContact CE2-CD1 4.02Å; F48-F228 HydrophobicContact CE2-CG 4.4Å; F48-F228 HydrophobicContact CZ-CB 4.46Å; F48-F228 AromaticContact CZ-CD1 3.49Å; F48-F228 HydrophobicContact CZ-CD1 3.49Å; F48-F228 VanDerWaalsContact CZ-CD1 3.49Å; F48-F228 HydrophobicContact CZ-CE1 4.06Å; F48-F228 HydrophobicContact CZ-CG 4.23Å; L49-F228 WeakPolarHBondContact O-CA 3.39Å; F50-F228 HydrophobicContact CB-CD1 3.58Å; F50-F228 HydrophobicContact CB-CE1 3.57Å; I214-F228 HydrophobicContact CG1-CD1 4.46Å; I214-F228 HydrophobicContact CG1-CD2 4.38Å; I214-F228 HydrophobicContact CG1-CG 4.33Å; I214-F228 HydrophobicContact CG2-CD2 4.17Å; I214-F228 HydrophobicContact CG2-CE2 4.13Å; A217-F228 HydrophobicContact CB-CE1 4.33Å; A217-F228 HydrophobicContact CB-CZ 3.66Å; D225-F228 HydrophobicContact CB-CD2 3.95Å; D225-F228 HydrophobicContact CB-CE2 3.72Å; D225-F228 WeakPolarHBondContact O-CD2 3.43Å; I226-F228 VanDerWaalsContact C-N 3.34Å
229N91.5Very high80.2Confident26 Ų2661.5 Ų61.514%0.13932%0.32CS..EExtended strand (participates in β ladder)trans-133.4145.1167.3-159.9-83.4000108.9E31 F48 L49E31-N229 PolarHBondContact OE1-ND2 3.09Å; F48-N229 VanDerWaalsContact CD2-O 3.32Å; F48-N229 WeakPolarHBondContact CD2-O 3.46Å; L49-N229 HydrophobicContact CB-CB 3.83Å; L49-N229 HydrophobicContact CD2-CB 4.19Å; L49-N229 PolarHBondContact N-O 3.18Å; L49-N229 PolarHBondContact O-N 3.14Å
230L94Very high81.5Confident11 Ų1161.7 Ų61.76%0.05830%0.303CS..EExtended strand (participates in β ladder)trans-130.3123.5173.1-178.565.1000108.8I32 L35 F46 F48 I210I32-L230 HydrophobicContact CB-CB 4.29Å; I32-L230 HydrophobicContact CB-CD2 3.99Å; I32-L230 HydrophobicContact CB-CG 4.07Å; I32-L230 HydrophobicContact CG1-CD2 4.4Å; I32-L230 HydrophobicContact CG1-CG 4.31Å; I32-L230 HydrophobicContact CG2-CD2 4.01Å; I32-L230 PolarHBondContact N-O 3.33Å; L35-L230 HydrophobicContact CD2-CD2 3.38Å; F46-L230 HydrophobicContact CB-CD1 3.87Å; F46-L230 HydrophobicContact CD1-CD1 4.19Å; F46-L230 HydrophobicContact CD1-CD2 4.34Å; F46-L230 HydrophobicContact CD1-CG 4.31Å; F46-L230 HydrophobicContact CG-CD1 4.33Å; F48-L230 HydrophobicContact CB-CD1 4.04Å; F48-L230 HydrophobicContact CD2-CB 4.47Å; F48-L230 HydrophobicContact CD2-CD1 4.17Å; I210-L230 HydrophobicContact CD1-CD1 3.86Å; I210-L230 HydrophobicContact CD1-CD2 4.34Å; I210-L230 HydrophobicContact CG2-CD2 4.5Å
231M96.1Very high83.2Confident0 Ų060.7 Ų60.70%028%0.282CS..EExtended strand (participates in β ladder)trans-115.7146.2172.4-69179-77.500110.5P12 F15 V29 E30 F46 I47 F170P12-M231 HydrophobicContact CB-SD 4.16Å; F15-M231 HydrophobicContact CD1-CE 4.15Å; F15-M231 HydrophobicContact CD2-CE 4.19Å; F15-M231 HydrophobicContact CD2-SD 4.44Å; F15-M231 HydrophobicContact CE1-CE 3.98Å; F15-M231 HydrophobicContact CE2-CE 4.02Å; F15-M231 HydrophobicContact CG-CE 4.24Å; F15-M231 HydrophobicContact CG-SD 4.31Å; F15-M231 HydrophobicContact CZ-CE 3.89Å; V29-M231 HydrophobicContact CG1-CB 3.7Å; V29-M231 HydrophobicContact CG1-CG 4.09Å; V29-M231 HydrophobicContact CG1-SD 3.74Å; E30-M231 CarbonylContact O-C 3.59Å; E30-M231 WeakPolarHBondContact O-CA 3.27Å; F46-M231 CarbonylContact C-O 3.59Å; F46-M231 VanDerWaalsContact CA-O 3.27Å; F46-M231 WeakPolarHBondContact CA-O 3.25Å; I47-M231 HydrophobicContact CB-CB 4.43Å; I47-M231 HydrophobicContact CG2-CE 4.25Å; I47-M231 PolarHBondContact N-O 3.49Å; I47-M231 PolarHBondContact O-N 2.92Å; F170-M231 HydrophobicContact CE1-CE 3.95Å
232A97.1Very high85Confident1 Ų158.9 Ų58.91%0.00827%0.274CS..EExtended strand (participates in β ladder)trans-107.2134169.900000109.5V29 E30 I32 V43 F46 V234V29-A232 WeakPolarHBondContact CA-O 3.47Å; E30-A232 PolarHBondContact N-O 3.12Å; E30-A232 PolarHBondContact O-N 3.39Å; I32-A232 HydrophobicContact CD1-CB 3.9Å; I32-A232 HydrophobicContact CG1-CB 4.02Å; V43-A232 HydrophobicContact CG1-CB 4.05Å; F46-A232 HydrophobicContact CD1-CB 3.82Å; F46-A232 HydrophobicContact CE1-CB 3.81Å; A232-V234 HydrophobicContact CB-CG1 3.97Å
233V97.8Very high86.9Confident0 Ų060.1 Ų60.10%028%0.28CS..EExtended strand (participates in β ladder)trans-89.2120.5169-173.50000107.2V27 V29 Y44 G45 I47 L96 V99 L100V27-V233 HydrophobicContact CG1-CG1 3.46Å; V27-V233 VanDerWaalsContact CG1-CG1 3.46Å; V29-V233 HydrophobicContact CG2-CG2 4.38Å; Y44-V233 WeakPolarHBondContact CB-O 3.43Å; Y44-V233 HydrophobicContact CD2-CG1 4.3Å; Y44-V233 PolarHBondContact N-O 3.4Å; G45-V233 PolarHBondContact O-N 2.99Å; I47-V233 HydrophobicContact CD1-CG2 3.85Å; I47-V233 HydrophobicContact CG1-CG2 4.21Å; L96-V233 HydrophobicContact CD1-CG2 4.38Å; V99-V233 HydrophobicContact CB-CG2 4.21Å; V99-V233 HydrophobicContact CG1-CB 3.89Å; V99-V233 HydrophobicContact CG1-CG1 4.18Å; V99-V233 HydrophobicContact CG1-CG2 3.87Å; V99-V233 HydrophobicContact CG2-CG2 4.27Å; L100-V233 HydrophobicContact CD2-CG1 4.35Å
234V96.6Very high88.7Confident15 Ų1556.6 Ų56.69%0.09127%0.266CS..EExtended strand (participates in β ladder)trans-138.6163.6-169.7-62.10000111.2V27 Q28 E30 V43 A232V27-V234 CarbonylContact C-O 3.59Å; V27-V234 WeakPolarHBondContact CA-O 3.31Å; Q28-V234 HydrophobicContact CG-CG2 3.81Å; Q28-V234 PolarHBondContact N-O 3.31Å; Q28-V234 PolarHBondContact O-N 3.23Å; Q28-V234 VanDerWaalsContact O-O 3.07Å; E30-V234 HydrophobicContact CG-CG2 3.83Å; V43-V234 HydrophobicContact CB-CG1 4.5Å; V43-V234 HydrophobicContact CG1-CG1 4.42Å; V43-V234 HydrophobicContact CG2-CG1 4.1Å; A232-V234 HydrophobicContact CB-CG1 3.97Å
235P96.3Very high90.7Very high41 Ų4149.3 Ų49.327%0.26623%0.232SC..EExtended strand (participates in β ladder)trans-62.7150.1172.1-21.332000112.8G26 P42 Y44 R237G26-P235 CarbonylContact O-C 3.55Å; G26-P235 VanDerWaalsContact O-CA 3.27Å; G26-P235 WeakPolarHBondContact O-CA 3.48Å; P42-P235 HydrophobicContact CG-CG 3.98Å; P42-P235 WeakPolarHBondContact O-CD 3.26Å; Y44-P235 HydrophobicContact CE2-CB 4.32Å; Y44-P235 HydrophobicContact CE2-CG 3.7Å; P235-R237 PolarHBondContact O-N 3.41Å
236D95.8Very high92.3Very high6 Ų654 Ų543%0.03225%0.253CS..  trans-63.3119.4177.9-164-55.9000111.2G26 Q28 R238 I239 K240 R656G26-D236 PolarHBondContact O-N 2.92Å; Q28-D236 PolarHBondContact OE1-OD1 3.34Å; D236-R238 PolarHBondContact O-N 3.32Å; D236-R238 WeakPolarHBondContact OD1-CB 3.2Å; D236-R238 VanDerWaalsContact OD1-CG 3.31Å; D236-R238 WeakPolarHBondContact OD1-CG 3.43Å; D236-R238 IonicContact OD1-CZ 3.94Å; D236-R238 PolarHBondContact OD1-N 3.04Å; D236-R238 IonicContact OD1-NE 3.22Å; D236-R238 PolarHBondContact OD1-NE 2.86Å; D236-R238 IonicContact OD1-NH2 3.46Å; D236-R238 IonicContact OD2-CZ 2.72Å; D236-R238 IonicContact OD2-NE 2.69Å; D236-R238 PolarHBondContact OD2-NE 3.1Å; D236-R238 IonicContact OD2-NH2 2.72Å; D236-R238 PolarHBondContact OD2-NH2 3.38Å; D236-I239 HydrophobicContact CB-CD1 4.18Å; D236-I239 HydrophobicContact CB-CG1 4.2Å; D236-I239 PolarHBondContact O-N 2.65Å; D236-K240 PolarHBondContact O-N 3.46Å; D236-R656 IonicContact OD1-NH2 2.9Å; D236-R656 IonicContact OD2-CZ 2.76Å; D236-R656 IonicContact OD2-NH1 3.71Å; D236-R656 PolarHBondContact OD2-NH1 3.41Å; D236-R656 IonicContact OD2-NH2 2.64Å; D236-R656 PolarHBondContact OD2-NH2 2.86Å
237R94.3Very high93.9Very high61 Ų6147.1 Ų47.123%0.2322%0.219CC..Hα-helixtrans-67.3-25.4-176-71.5-177.9-176.5-160.76112.6E30 P235 K240 Y241 E652E30-R237 WeakPolarHBondContact OE1-CD 3.48Å; E30-R237 IonicContact OE1-CZ 3.73Å; E30-R237 VanDerWaalsContact OE1-CZ 3.31Å; E30-R237 IonicContact OE1-NE 2.71Å; E30-R237 PolarHBondContact OE1-NE 2.68Å; E30-R237 IonicContact OE1-NH2 2.83Å; E30-R237 PolarHBondContact OE1-NH2 2.98Å; E30-R237 IonicContact OE2-CZ 2.91Å; E30-R237 IonicContact OE2-NE 3.75Å; E30-R237 PolarHBondContact OE2-NE 2.86Å; E30-R237 IonicContact OE2-NH2 3.8Å; E30-R237 PolarHBondContact OE2-NH2 2.94Å; P235-R237 PolarHBondContact O-N 3.41Å; R237-K240 WeakPolarHBondContact O-CB 3.27Å; R237-K240 PolarHBondContact O-N 3.37Å; R237-Y241 HydrophobicContact CB-CE2 4.09Å; R237-Y241 WeakPolarHBondContact O-CD2 3.35Å; R237-Y241 PolarHBondContact O-N 2.78Å; R237-E652 HydrophobicContact CB-CG 3.84Å; R237-E652 VanDerWaalsContact CD-OE1 3.3Å; R237-E652 WeakPolarHBondContact CD-OE1 3.3Å; R237-E652 IonicContact NE-OE1 3.87Å; R237-E652 IonicContact NH1-OE1 3.93Å
238R96.1Very high94.8Very high56 Ų5642.3 Ų42.321%0.21120%0.201CC..Hα-helixtrans-62.4-50.5178.2-56.3172.3-67.7167-4.2110E20 D236 K240 Y241 E242 L649 E652 V653 R656E20-R238 IonicContact OE1-NH2 2.74Å; E20-R238 PolarHBondContact OE1-NH2 3.2Å; E20-R238 VanDerWaalsContact OE1-NH2 3.14Å; D236-R238 PolarHBondContact O-N 3.32Å; D236-R238 WeakPolarHBondContact OD1-CB 3.2Å; D236-R238 VanDerWaalsContact OD1-CG 3.31Å; D236-R238 WeakPolarHBondContact OD1-CG 3.43Å; D236-R238 IonicContact OD1-CZ 3.94Å; D236-R238 PolarHBondContact OD1-N 3.04Å; D236-R238 IonicContact OD1-NE 3.22Å; D236-R238 PolarHBondContact OD1-NE 2.86Å; D236-R238 IonicContact OD1-NH2 3.46Å; D236-R238 IonicContact OD2-CZ 2.72Å; D236-R238 IonicContact OD2-NE 2.69Å; D236-R238 PolarHBondContact OD2-NE 3.1Å; D236-R238 IonicContact OD2-NH2 2.72Å; D236-R238 PolarHBondContact OD2-NH2 3.38Å; R238-K240 VanDerWaalsContact C-N 3.29Å; R238-K240 PolarHBondContact O-N 3.42Å; R238-Y241 CarbonylContact O-C 3.51Å; R238-Y241 PolarHBondContact O-N 2.95Å; R238-E242 WeakPolarHBondContact O-CB 3.32Å; R238-E242 VanDerWaalsContact O-CG 3.27Å; R238-E242 WeakPolarHBondContact O-CG 3.27Å; R238-E242 PolarHBondContact O-N 3.41Å; R238-L649 HydrophobicContact CB-CD1 3.88Å; R238-L649 HydrophobicContact CG-CD1 4.33Å; R238-E652 HydrophobicContact CG-CB 4.02Å; R238-V653 HydrophobicContact CG-CG2 4.31Å; R238-R656 VanDerWaalsContact NH2-CZ 3.3Å
239I94.7Very high95.3Very high78 Ų7844.7 Ų44.740%0.421%0.211SC..Hα-helixtrans-59.8-40.1178.6-55.4-177.9000111.3D236 T243D236-I239 HydrophobicContact CB-CD1 4.18Å; D236-I239 HydrophobicContact CB-CG1 4.2Å; D236-I239 PolarHBondContact O-N 2.65Å; I239-T243 VanDerWaalsContact O-CB 3.3Å; I239-T243 WeakPolarHBondContact O-CB 3.4Å; I239-T243 PolarHBondContact O-N 3.47Å; I239-T243 PolarHBondContact O-OG1 3.44Å
240K92.3Very high95.5Very high101 Ų10146 Ų4644%0.43922%0.219SC..Hα-helixtrans-58.6-46.1173.7178.6-177.5178.8-179.20111.2Q40 D236 R237 R238 R244Q40-K240 PolarHBondContact O-NZ 2.95Å; D236-K240 PolarHBondContact O-N 3.46Å; R237-K240 WeakPolarHBondContact O-CB 3.27Å; R237-K240 PolarHBondContact O-N 3.37Å; R238-K240 VanDerWaalsContact C-N 3.29Å; R238-K240 PolarHBondContact O-N 3.42Å; K240-R244 WeakPolarHBondContact O-CG 3.43Å; K240-R244 PolarHBondContact O-N 2.97Å
241Y95.1Very high95.5Very high34 Ų3445.4 Ų45.413%0.13322%0.217CC..Hα-helixtrans-74.3-40.4179.4-59.9-38.9000112.9R237 R238 T243 R244 L245 Y645 C648 E652R237-Y241 HydrophobicContact CB-CE2 4.09Å; R237-Y241 WeakPolarHBondContact O-CD2 3.35Å; R237-Y241 PolarHBondContact O-N 2.78Å; R238-Y241 CarbonylContact O-C 3.51Å; R238-Y241 PolarHBondContact O-N 2.95Å; Y241-T243 PolarHBondContact O-N 3.19Å; Y241-R244 PolarHBondContact O-N 3.49Å; Y241-L245 WeakPolarHBondContact O-CB 3.24Å; Y241-L245 VanDerWaalsContact O-CG 3.32Å; Y241-L245 WeakPolarHBondContact O-CG 3.32Å; Y241-L245 PolarHBondContact O-N 2.96Å; Y241-Y645 AromaticContact CD1-CD1 3.54Å; Y241-Y645 HydrophobicContact CD1-CD1 3.54Å; Y241-Y645 AromaticContact CD1-CE1 3.75Å; Y241-Y645 HydrophobicContact CD1-CE1 3.75Å; Y241-Y645 HydrophobicContact CE1-CD1 4.12Å; Y241-Y645 HydrophobicContact CE1-CE1 4.08Å; Y241-Y645 HydrophobicContact CG-CD1 4.34Å; Y241-C648 HydrophobicContact CD1-CB 4.31Å; Y241-C648 HydrophobicContact CD2-CB 3.93Å; Y241-C648 HydrophobicContact CE1-CB 4.05Å; Y241-C648 HydrophobicContact CE2-CB 3.67Å; Y241-C648 HydrophobicContact CG-CB 4.25Å; Y241-E652 HydrophobicContact CD2-CG 4.41Å; Y241-E652 HydrophobicContact CE2-CG 3.84Å
242E96.5Very high95.5Very high93 Ų9347.4 Ų47.444%0.43522%0.224SC..Hα-helixtrans-57.6-45.8175.1-72.5160.3-17400111.7R238 R244 L245 H246 L649R238-E242 WeakPolarHBondContact O-CB 3.32Å; R238-E242 VanDerWaalsContact O-CG 3.27Å; R238-E242 WeakPolarHBondContact O-CG 3.27Å; R238-E242 PolarHBondContact O-N 3.41Å; E242-R244 PolarHBondContact O-N 3.04Å; E242-L245 PolarHBondContact O-N 3.02Å; E242-H246 PolarHBondContact O-N 2.96Å; E242-L649 HydrophobicContact CG-CD1 3.9Å; E242-L649 HydrophobicContact CG-CD2 3.71Å; E242-L649 HydrophobicContact CG-CG 4.5Å
243T94.5Very high95.4Very high82 Ų8250 Ų5050%0.50324%0.236SC..Hα-helixtrans-65.5-40.1178.3-58.20000111.4I239 Y241 H246 V247I239-T243 VanDerWaalsContact O-CB 3.3Å; I239-T243 WeakPolarHBondContact O-CB 3.4Å; I239-T243 PolarHBondContact O-N 3.47Å; I239-T243 PolarHBondContact O-OG1 3.44Å; Y241-T243 PolarHBondContact O-N 3.19Å; T243-H246 PolarHBondContact O-N 3.49Å; T243-V247 PolarHBondContact O-N 3.45Å; T243-V247 VanDerWaalsContact O-N 3.14Å
244R93.6Very high95.1Very high80 Ų8050.8 Ų50.830%0.30224%0.241SC..Hα-helixtrans-67.9-39.3176.7-68.4-70.7174.9141.9-4.2112.1K240 Y241 E242 H246 V247 L248 S557 Y645K240-R244 WeakPolarHBondContact O-CG 3.43Å; K240-R244 PolarHBondContact O-N 2.97Å; Y241-R244 PolarHBondContact O-N 3.49Å; E242-R244 PolarHBondContact O-N 3.04Å; R244-H246 VanDerWaalsContact C-N 3.35Å; R244-V247 PolarHBondContact O-N 2.94Å; R244-L248 WeakPolarHBondContact O-CB 3.3Å; R244-L248 WeakPolarHBondContact O-CG 3.38Å; R244-L248 PolarHBondContact O-N 3.38Å; R244-S557 WeakPolarHBondContact CD-O 3.16Å; R244-S557 VanDerWaalsContact CZ-O 3.29Å; R244-S557 PolarHBondContact NE-O 2.88Å; R244-S557 PolarHBondContact NH1-O 3.05Å; R244-Y645 HydrophobicContact CB-CD1 4.28Å; R244-Y645 HydrophobicContact CB-CE1 4.1Å; R244-Y645 HydrophobicContact CB-CE2 4.35Å; R244-Y645 HydrophobicContact CB-CG 4.48Å; R244-Y645 HydrophobicContact CG-CE1 4.29Å
245L96.2Very high94.9Very high10 Ų1050 Ų505%0.05224%0.236CC..Hα-helixtrans-64.9-36.7173.4-74.7170.8000112.5Y241 E242 K249 I642 E646 L649Y241-L245 WeakPolarHBondContact O-CB 3.24Å; Y241-L245 VanDerWaalsContact O-CG 3.32Å; Y241-L245 WeakPolarHBondContact O-CG 3.32Å; Y241-L245 PolarHBondContact O-N 2.96Å; E242-L245 PolarHBondContact O-N 3.02Å; L245-K249 VanDerWaalsContact O-CB 3.25Å; L245-K249 WeakPolarHBondContact O-CB 3.49Å; L245-K249 WeakPolarHBondContact O-CG 3.34Å; L245-K249 PolarHBondContact O-N 3.34Å; L245-I642 HydrophobicContact CD2-CB 4.49Å; L245-I642 HydrophobicContact CD2-CG2 4.14Å; L245-E646 HydrophobicContact CD1-CG 3.84Å; L245-E646 HydrophobicContact CD2-CG 3.59Å; L245-E646 HydrophobicContact CG-CG 4.38Å; L245-L649 HydrophobicContact CD1-CB 4.34Å; L245-L649 HydrophobicContact CD1-CD2 3.75Å
246H96.3Very high94.7Very high127 Ų12748.1 Ų48.159%0.58822%0.224SC*.Hα-helixtrans-61.9-52.3173.8-177.970.8000111.2E242 T243 R244 L248 K249 V250E242-H246 PolarHBondContact O-N 2.96Å; T243-H246 PolarHBondContact O-N 3.49Å; R244-H246 VanDerWaalsContact C-N 3.35Å; H246-L248 PolarHBondContact O-N 2.92Å; H246-K249 PolarHBondContact O-N 3.05Å; H246-V250 WeakPolarHBondContact O-CG2 3.48Å; H246-V250 PolarHBondContact O-N 3.29Å
247V95.6Very high94.5Very high21 Ų2151.5 Ų51.513%0.12724%0.24CC..Hα-helixtrans-56.1-48.8176.6171.10000111.5T243 R244 K249 V250 N251 G559 L560T243-V247 PolarHBondContact O-N 3.45Å; T243-V247 VanDerWaalsContact O-N 3.14Å; R244-V247 PolarHBondContact O-N 2.94Å; V247-K249 PolarHBondContact O-N 3.45Å; V247-V250 PolarHBondContact O-N 2.92Å; V247-N251 WeakPolarHBondContact O-CB 3.48Å; V247-N251 PolarHBondContact O-N 3.46Å; V247-N251 PolarHBondContact O-ND2 3.48Å; V247-G559 WeakPolarHBondContact CG1-O 3.35Å; V247-L560 HydrophobicContact CG1-CD2 4.31Å
248L95.4Very high94.3Very high0 Ų048.9 Ų48.90%023%0.231CC..Hα-helixtrans-62.8-39.8178.8-78162.6000112.9R244 H246 N251 R252 I556 V638 E641 I642 Y645R244-L248 WeakPolarHBondContact O-CB 3.3Å; R244-L248 WeakPolarHBondContact O-CG 3.38Å; R244-L248 PolarHBondContact O-N 3.38Å; H246-L248 PolarHBondContact O-N 2.92Å; L248-N251 PolarHBondContact O-N 3.5Å; L248-R252 VanDerWaalsContact O-CB 3.31Å; L248-R252 WeakPolarHBondContact O-CB 3.48Å; L248-R252 PolarHBondContact O-N 3.07Å; L248-I556 HydrophobicContact CD2-CB 4.41Å; L248-I556 HydrophobicContact CD2-CG1 4.06Å; L248-I556 VanDerWaalsContact CD2-O 3.31Å; L248-I556 WeakPolarHBondContact CD2-O 3.48Å; L248-V638 HydrophobicContact CD2-CG1 4.17Å; L248-V638 WeakPolarHBondContact O-CG1 3.46Å; L248-E641 HydrophobicContact CD1-CB 3.92Å; L248-E641 HydrophobicContact CD2-CB 3.86Å; L248-I642 HydrophobicContact CB-CD1 4.2Å; L248-I642 HydrophobicContact CB-CG1 3.63Å; L248-I642 HydrophobicContact CD1-CG1 4.39Å; L248-I642 HydrophobicContact CG-CG1 4.48Å; L248-Y645 HydrophobicContact CD1-CD2 3.4Å; L248-Y645 HydrophobicContact CD1-CE2 3.83Å; L248-Y645 HydrophobicContact CD1-CG 4.38Å
249K95.9Very high93.9Very high96 Ų9646.2 Ų46.242%0.41722%0.221SC..Hα-helixtrans-71.8-31.7179.3-74.2173.8179.9-175.50112.9L245 H246 V247 Q253 I642 E646L245-K249 VanDerWaalsContact O-CB 3.25Å; L245-K249 WeakPolarHBondContact O-CB 3.49Å; L245-K249 WeakPolarHBondContact O-CG 3.34Å; L245-K249 PolarHBondContact O-N 3.34Å; H246-K249 PolarHBondContact O-N 3.05Å; V247-K249 PolarHBondContact O-N 3.45Å; K249-Q253 PolarHBondContact O-N 3.18Å; K249-I642 HydrophobicContact CG-CD1 3.96Å; K249-I642 HydrophobicContact CG-CG1 4.43Å; K249-E646 VanDerWaalsContact CE-OE1 3.23Å; K249-E646 WeakPolarHBondContact CE-OE1 3.38Å; K249-E646 IonicContact NZ-OE1 3.69Å; K249-E646 PolarHBondContact NZ-OE1 3.42Å
250V95.4Very high93.6Very high52 Ų5245 Ų4532%0.31521%0.213SC..Hα-helixtrans-67.1-48.2167.9176.30000110.1H246 V247 R252 Q253 T254 L560H246-V250 WeakPolarHBondContact O-CG2 3.48Å; H246-V250 PolarHBondContact O-N 3.29Å; V247-V250 PolarHBondContact O-N 2.92Å; V250-R252 VanDerWaalsContact C-N 3.33Å; V250-R252 PolarHBondContact O-N 2.88Å; V250-Q253 WeakPolarHBondContact O-CA 3.09Å; V250-Q253 WeakPolarHBondContact O-CB 3.46Å; V250-Q253 PolarHBondContact O-N 2.99Å; V250-T254 PolarHBondContact O-N 3.11Å; V250-T254 PolarHBondContact O-OG1 3.3Å; V250-L560 HydrophobicContact CB-CD2 3.95Å; V250-L560 HydrophobicContact CG1-CD2 3.79Å
251N94.9Very high93.3Very high0 Ų043.6 Ų43.60%021%0.208CC..Hα-helixtrans-62.1-37.2-179.8-72.8-13.5000113.3V247 L248 Q253 T254 V255 I556 G559 L560 L561V247-N251 WeakPolarHBondContact O-CB 3.48Å; V247-N251 PolarHBondContact O-N 3.46Å; V247-N251 PolarHBondContact O-ND2 3.48Å; L248-N251 PolarHBondContact O-N 3.5Å; N251-Q253 VanDerWaalsContact C-N 3.3Å; N251-Q253 PolarHBondContact O-N 3.48Å; N251-T254 PolarHBondContact O-N 2.95Å; N251-V255 WeakPolarHBondContact O-CG2 3.41Å; N251-V255 PolarHBondContact O-N 2.86Å; N251-I556 PolarHBondContact ND2-O 3.38Å; N251-G559 PolarHBondContact ND2-O 3.5Å; N251-L560 WeakPolarHBondContact OD1-CA 3.4Å; N251-L561 HydrophobicContact CB-CD1 3.81Å; N251-L561 HydrophobicContact CB-CG 4.17Å; N251-L561 PolarHBondContact OD1-N 3.29Å
252R95Very high92.7Very high42 Ų4243.7 Ų43.716%0.15821%0.211CC..Hα-helixtrans-54.2-45.9169.5-178.5-167.2-171.9-104.3-5.8111.4L248 V250 L256 L635 V638 E639 I642L248-R252 VanDerWaalsContact O-CB 3.31Å; L248-R252 WeakPolarHBondContact O-CB 3.48Å; L248-R252 PolarHBondContact O-N 3.07Å; V250-R252 VanDerWaalsContact C-N 3.33Å; V250-R252 PolarHBondContact O-N 2.88Å; R252-L256 HydrophobicContact CG-CD1 4.29Å; R252-L256 WeakPolarHBondContact O-CB 3.26Å; R252-L256 WeakPolarHBondContact O-CG 3.28Å; R252-L256 PolarHBondContact O-N 3.04Å; R252-L635 HydrophobicContact CG-CD1 4.04Å; R252-V638 HydrophobicContact CB-CG1 3.79Å; R252-E639 WeakPolarHBondContact CD-OE2 3.32Å; R252-E639 IonicContact CZ-OE1 3.46Å; R252-E639 VanDerWaalsContact CZ-OE1 3.24Å; R252-E639 IonicContact CZ-OE2 3.24Å; R252-E639 IonicContact NE-OE1 3.33Å; R252-E639 PolarHBondContact NE-OE1 2.85Å; R252-E639 IonicContact NE-OE2 2.74Å; R252-E639 PolarHBondContact NE-OE2 3.4Å; R252-E639 IonicContact NH2-OE1 3.74Å; R252-E639 PolarHBondContact NH2-OE1 2.91Å; R252-E639 IonicContact NH2-OE2 2.73Å; R252-I642 HydrophobicContact CB-CD1 4.14Å; R252-I642 HydrophobicContact CG-CD1 4.35Å
253Q94.4Very high92Very high55 Ų5540.9 Ų40.926%0.25720%0.198SC..Hα-helixtrans-67.2-46.1178.2-176.861.723.200111.3K249 V250 N251 V255 L256 E257K249-Q253 PolarHBondContact O-N 3.18Å; V250-Q253 WeakPolarHBondContact O-CA 3.09Å; V250-Q253 WeakPolarHBondContact O-CB 3.46Å; V250-Q253 PolarHBondContact O-N 2.99Å; N251-Q253 VanDerWaalsContact C-N 3.3Å; N251-Q253 PolarHBondContact O-N 3.48Å; Q253-V255 VanDerWaalsContact C-N 3.3Å; Q253-V255 PolarHBondContact O-N 2.86Å; Q253-L256 WeakPolarHBondContact O-CB 3.45Å; Q253-L256 PolarHBondContact O-N 3.41Å; Q253-L256 VanDerWaalsContact O-N 3.16Å; Q253-E257 WeakPolarHBondContact CG-OE1 3.43Å; Q253-E257 PolarHBondContact NE2-OE1 3.3Å; Q253-E257 WeakPolarHBondContact O-CG 3.45Å; Q253-E257 PolarHBondContact O-N 3.09Å
254T93.3Very high91.3Very high16 Ų1644 Ų4410%0.09820%0.201CC..Hα-helixtrans-57.3-41.6176.1-45.50000112.2V250 N251 E257 A258 L561 L563 L569V250-T254 PolarHBondContact O-N 3.11Å; V250-T254 PolarHBondContact O-OG1 3.3Å; N251-T254 PolarHBondContact O-N 2.95Å; T254-E257 PolarHBondContact O-N 2.92Å; T254-A258 PolarHBondContact O-N 3.01Å; T254-L561 HydrophobicContact CG2-CB 4.17Å; T254-L561 WeakPolarHBondContact CG2-O 3.4Å; T254-L561 PolarHBondContact OG1-O 3.15Å; T254-L563 HydrophobicContact CG2-CB 3.75Å; T254-L569 HydrophobicContact CG2-CD1 3.87Å
255V91.6Very high90.4Very high0 Ų045.7 Ų45.70%022%0.22CC..Hα-helixtrans-70.7-37.4178.3174.70000111.8N251 Q253 E257 A258 L259 L561 L569 L634 L635N251-V255 WeakPolarHBondContact O-CG2 3.41Å; N251-V255 PolarHBondContact O-N 2.86Å; Q253-V255 VanDerWaalsContact C-N 3.3Å; Q253-V255 PolarHBondContact O-N 2.86Å; V255-E257 VanDerWaalsContact C-N 3.35Å; V255-A258 PolarHBondContact O-N 3.39Å; V255-L259 WeakPolarHBondContact O-CB 3.32Å; V255-L259 PolarHBondContact O-N 3.41Å; V255-L561 HydrophobicContact CG2-CD1 3.82Å; V255-L569 HydrophobicContact CG2-CD1 4.09Å; V255-L634 HydrophobicContact CG1-CD2 4.39Å; V255-L634 HydrophobicContact CG2-CD2 3.65Å; V255-L634 HydrophobicContact CG2-CG 4.23Å; V255-L635 HydrophobicContact CG1-CB 3.89Å; V255-L635 HydrophobicContact CG1-CD1 4.31Å
256L92.4Very high89.2Confident1 Ų149.6 Ų49.61%0.00525%0.245CC..Hα-helixtrans-63.4-39.3171.7-79.6167.7000112R252 Q253 L259 Q260 T443 L447 L635R252-L256 HydrophobicContact CG-CD1 4.29Å; R252-L256 WeakPolarHBondContact O-CB 3.26Å; R252-L256 WeakPolarHBondContact O-CG 3.28Å; R252-L256 PolarHBondContact O-N 3.04Å; Q253-L256 WeakPolarHBondContact O-CB 3.45Å; Q253-L256 PolarHBondContact O-N 3.41Å; Q253-L256 VanDerWaalsContact O-N 3.16Å; L256-L259 PolarHBondContact O-N 2.72Å; L256-Q260 WeakPolarHBondContact O-CB 3.28Å; L256-Q260 WeakPolarHBondContact O-CG 3.48Å; L256-Q260 PolarHBondContact O-N 3.26Å; L256-T443 HydrophobicContact CD2-CG2 4.36Å; L256-L447 HydrophobicContact CD2-CD1 4.08Å; L256-L635 HydrophobicContact CD2-CD1 4.49Å; L256-L635 HydrophobicContact CD2-CD2 3.64Å; L256-L635 HydrophobicContact CG-CD1 4.11Å; L256-L635 HydrophobicContact CG-CD2 4.14Å
257E91Very high87.6Confident77 Ų7745.9 Ų45.936%0.3623%0.227SC..Hα-helixtrans-68.1-42.7176.7-74.9174.9-165.500112Q253 T254 V255 L259 Q260 Q261 L563Q253-E257 WeakPolarHBondContact CG-OE1 3.43Å; Q253-E257 PolarHBondContact NE2-OE1 3.3Å; Q253-E257 WeakPolarHBondContact O-CG 3.45Å; Q253-E257 PolarHBondContact O-N 3.09Å; T254-E257 PolarHBondContact O-N 2.92Å; V255-E257 VanDerWaalsContact C-N 3.35Å; E257-L259 VanDerWaalsContact C-N 3.33Å; E257-L259 PolarHBondContact O-N 2.71Å; E257-Q260 PolarHBondContact O-N 2.93Å; E257-Q261 WeakPolarHBondContact O-CG 3.44Å; E257-Q261 PolarHBondContact O-N 2.72Å; E257-L563 HydrophobicContact CB-CD2 3.88Å
258A90.2Very high85.8Confident5 Ų548.1 Ų48.14%0.04124%0.243CC..Hα-helixtrans-60.1-43.7173.900000111.6T254 V255 Q261 L262 L563 L569 L631T254-A258 PolarHBondContact O-N 3.01Å; V255-A258 PolarHBondContact O-N 3.39Å; A258-Q261 PolarHBondContact O-N 2.9Å; A258-L262 WeakPolarHBondContact O-CB 3.34Å; A258-L262 PolarHBondContact O-N 3.21Å; A258-L563 HydrophobicContact CB-CD1 3.79Å; A258-L563 HydrophobicContact CB-CD2 3.96Å; A258-L563 HydrophobicContact CB-CG 4.49Å; A258-L569 HydrophobicContact CB-CD1 3.68Å; A258-L631 HydrophobicContact CB-CD1 4.03Å; A258-L631 HydrophobicContact CB-CD2 4.43Å
259L88.8Confident83.7Confident0 Ų054.7 Ų54.70%027%0.273CS..Hα-helixtrans-65.1-38.9176.6-174.257.1000111.7V255 L256 E257 I263 L447 L451 P628 L631V255-L259 WeakPolarHBondContact O-CB 3.32Å; V255-L259 PolarHBondContact O-N 3.41Å; L256-L259 PolarHBondContact O-N 2.72Å; E257-L259 VanDerWaalsContact C-N 3.33Å; E257-L259 PolarHBondContact O-N 2.71Å; L259-I263 HydrophobicContact CD1-CD1 4.35Å; L259-I263 HydrophobicContact CG-CD1 4.2Å; L259-I263 WeakPolarHBondContact O-CD1 3.42Å; L259-I263 VanDerWaalsContact O-CG1 3.27Å; L259-I263 WeakPolarHBondContact O-CG1 3.15Å; L259-I263 PolarHBondContact O-N 3.23Å; L259-L447 HydrophobicContact CD2-CD1 3.98Å; L259-L451 HydrophobicContact CD1-CD1 4.37Å; L259-P628 HydrophobicContact CD1-CB 4.05Å; L259-L631 HydrophobicContact CB-CD1 4.35Å; L259-L631 HydrophobicContact CD1-CB 4.3Å; L259-L631 HydrophobicContact CD1-CD1 4.48Å
260Q87.3Confident81.5Confident53 Ų5354.2 Ų54.225%0.24828%0.275CS..Hα-helixtrans-66.1-43.4173.3-78.9-174.151.700113.1L256 E257 L262 I263 R264L256-Q260 WeakPolarHBondContact O-CB 3.28Å; L256-Q260 WeakPolarHBondContact O-CG 3.48Å; L256-Q260 PolarHBondContact O-N 3.26Å; E257-Q260 PolarHBondContact O-N 2.93Å; Q260-L262 VanDerWaalsContact C-N 3.33Å; Q260-I263 PolarHBondContact O-N 2.96Å; Q260-R264 WeakPolarHBondContact O-CB 3.22Å; Q260-R264 WeakPolarHBondContact O-CD 3.3Å; Q260-R264 WeakPolarHBondContact O-CG 3.39Å; Q260-R264 PolarHBondContact O-N 3.09Å; Q260-R264 VanDerWaalsContact OE1-NH2 3.12Å
261Q85.1Confident79.5Confident71 Ų7156.2 Ų56.233%0.33228%0.283SS..Hα-helixtrans-60.1-45.7175.5-73.9-177.16.100110.7E257 A258 I263 R264 V265E257-Q261 WeakPolarHBondContact O-CG 3.44Å; E257-Q261 PolarHBondContact O-N 2.72Å; A258-Q261 PolarHBondContact O-N 2.9Å; Q261-I263 VanDerWaalsContact C-N 3.34Å; Q261-I263 PolarHBondContact O-N 2.72Å; Q261-R264 PolarHBondContact O-N 3.05Å; Q261-V265 WeakPolarHBondContact O-CG2 3.43Å; Q261-V265 PolarHBondContact O-N 2.77Å
262L83.1Confident77.1Confident36 Ų3662.2 Ų62.219%0.18831%0.311CS..Hα-helixtrans-62.2-40.3179-170.757.2000112A258 Q260 T266 Y626 P628 L631A258-L262 WeakPolarHBondContact O-CB 3.34Å; A258-L262 PolarHBondContact O-N 3.21Å; Q260-L262 VanDerWaalsContact C-N 3.33Å; L262-T266 VanDerWaalsContact O-CB 3.28Å; L262-T266 WeakPolarHBondContact O-CB 3.44Å; L262-T266 PolarHBondContact O-N 2.94Å; L262-T266 PolarHBondContact O-OG1 2.93Å; L262-Y626 VanDerWaalsContact CD2-O 3.3Å; L262-Y626 WeakPolarHBondContact CD2-O 3.42Å; L262-P628 HydrophobicContact CD2-CB 4.42Å; L262-P628 HydrophobicContact CD2-CG 3.7Å; L262-P628 HydrophobicContact CG-CG 4.22Å; L262-L631 HydrophobicContact CD2-CD1 3.96Å
263I81.6Confident74.7Confident34 Ų3463.6 Ų63.617%0.17432%0.324CS..Hα-helixtrans-65.8-45173.3-68.9164.7000111.2L259 Q260 Q261 V265 T266 Q267 L447L259-I263 HydrophobicContact CD1-CD1 4.35Å; L259-I263 HydrophobicContact CG-CD1 4.2Å; L259-I263 WeakPolarHBondContact O-CD1 3.42Å; L259-I263 VanDerWaalsContact O-CG1 3.27Å; L259-I263 WeakPolarHBondContact O-CG1 3.15Å; L259-I263 PolarHBondContact O-N 3.23Å; Q260-I263 PolarHBondContact O-N 2.96Å; Q261-I263 VanDerWaalsContact C-N 3.34Å; Q261-I263 PolarHBondContact O-N 2.72Å; I263-V265 VanDerWaalsContact C-N 3.29Å; I263-V265 PolarHBondContact O-N 3.24Å; I263-T266 PolarHBondContact O-N 2.93Å; I263-Q267 PolarHBondContact O-N 2.83Å; I263-L447 HydrophobicContact CD1-CD2 3.79Å
264R79.4Confident72.3Confident147 Ų14767.1 Ų67.156%0.55534%0.34SS*.Hα-helixtrans-58.3-39.1177.9-71.4163.7-169-1257.6112.6Q260 Q261 I271Q260-R264 WeakPolarHBondContact O-CB 3.22Å; Q260-R264 WeakPolarHBondContact O-CD 3.3Å; Q260-R264 WeakPolarHBondContact O-CG 3.39Å; Q260-R264 PolarHBondContact O-N 3.09Å; Q260-R264 VanDerWaalsContact OE1-NH2 3.12Å; Q261-R264 PolarHBondContact O-N 3.05Å; R264-I271 HydrophobicContact CB-CD1 4.14Å; R264-I271 HydrophobicContact CG-CD1 3.67Å
265V76Confident69.9Low117 Ų11775 Ų7571%0.70937%0.373SS*.Hα-helixtrans-76.2-36.6177.9173.30000112Q261 I263Q261-V265 WeakPolarHBondContact O-CG2 3.43Å; Q261-V265 PolarHBondContact O-N 2.77Å; I263-V265 VanDerWaalsContact C-N 3.29Å; I263-V265 PolarHBondContact O-N 3.24Å
266T71.2Confident67.5Low92 Ų9278.3 Ų78.356%0.56440%0.397SS*.Hα-helixtrans-82.2-30.7-176.3-49.20000113L262 I263L262-T266 VanDerWaalsContact O-CB 3.28Å; L262-T266 WeakPolarHBondContact O-CB 3.44Å; L262-T266 PolarHBondContact O-N 2.94Å; L262-T266 PolarHBondContact O-OG1 2.93Å; I263-T266 PolarHBondContact O-N 2.93Å
267Q61.4Low65.1Low48 Ų4885.7 Ų85.722%0.22443%0.431CS..  trans-139.167.3-169.9-69.9172.1-21.500112I263 E269 L270I263-Q267 PolarHBondContact O-N 2.83Å; Q267-E269 PolarHBondContact O-N 2.85Å; Q267-L270 HydrophobicContact CB-CD1 4.06Å; Q267-L270 HydrophobicContact CB-CG 4.26Å; Q267-L270 HydrophobicContact CG-CD1 4.39Å; Q267-L270 PolarHBondContact O-N 3.32Å
268P58.8Low62.7Low69 Ų6990.7 Ų90.745%0.44845%0.454SS..THydrogen-bonded Turntrans-62.4-29.5178.526.1-35000113.5L270 I271P268-L270 VanDerWaalsContact C-N 3.34Å; P268-L270 PolarHBondContact O-N 2.75Å; P268-I271 PolarHBondContact O-N 3.2Å
269E50.4Low60.3Low138 Ų13895.2 Ų95.265%0.64549%0.486SS*.Hα-helixtrans-55.7-42.9178.1-61.6-62.4129.400112.8Q267 I271 Q272Q267-E269 PolarHBondContact O-N 2.85Å; E269-I271 PolarHBondContact O-N 2.69Å; E269-Q272 PolarHBondContact O-N 3.46Å
270L51.4Low57.8Low86 Ų86103 Ų10345%0.4552%0.522SS..Hα-helixtrans-70-5.7-173.5-66.8-176.8000114.5Q267 P268 T273Q267-L270 HydrophobicContact CB-CD1 4.06Å; Q267-L270 HydrophobicContact CB-CG 4.26Å; Q267-L270 HydrophobicContact CG-CD1 4.39Å; Q267-L270 PolarHBondContact O-N 3.32Å; P268-L270 VanDerWaalsContact C-N 3.34Å; P268-L270 PolarHBondContact O-N 2.75Å; L270-T273 PolarHBondContact O-OG1 2.83Å
271I52Low55.3Low93 Ų93108.8 Ų108.848%0.47755%0.554SS.*Hα-helixtrans-99-23.7-179.9-61.7167.6000110.9R264 P268 E269R264-I271 HydrophobicContact CB-CD1 4.14Å; R264-I271 HydrophobicContact CG-CD1 3.67Å; P268-I271 PolarHBondContact O-N 3.2Å; E269-I271 PolarHBondContact O-N 2.69Å
272Q45Very low53Low126 Ų126111.1 Ų111.159%0.58958%0.575SS**Hα-helixtrans-80-34.1-178.4-58.7-168.736.300112.3E269 H274 K275 S276E269-Q272 PolarHBondContact O-N 3.46Å; Q272-H274 PolarHBondContact O-N 2.8Å; Q272-K275 PolarHBondContact O-N 2.82Å; Q272-K275 VanDerWaalsContact O-N 3.12Å; Q272-S276 PolarHBondContact O-N 3.38Å; Q272-S276 PolarHBondContact O-OG 3.01Å
273T44.2Very low50.9Low72 Ų72118.6 Ų118.644%0.44261%0.609SS.*Hα-helixtrans-56.3-47.4-178.948.70000113.4L270 K275 S276 Q277L270-T273 PolarHBondContact O-OG1 2.83Å; T273-K275 VanDerWaalsContact C-N 3.29Å; T273-K275 PolarHBondContact O-N 2.87Å; T273-S276 PolarHBondContact O-N 3.35Å; T273-S276 VanDerWaalsContact O-N 3.13Å; T273-Q277 PolarHBondContact O-N 2.94Å; T273-Q277 VanDerWaalsContact O-N 3.12Å
274H44.2Very low49Very low128 Ų128126 Ų12659%0.59364%0.643SS**Hα-helixtrans-61.5-35.3177.8-88.4-76.8000113Q272 S276Q272-H274 PolarHBondContact O-N 2.8Å; H274-S276 VanDerWaalsContact C-N 3.27Å; H274-S276 PolarHBondContact O-N 2.89Å
275K42.2Very low46.9Very low181 Ų181124.3 Ų124.379%0.78765%0.654SS**Hα-helixtrans-80.1-8179.4-147.6176.7-174.2-179.60113.4Q272 T273Q272-K275 PolarHBondContact O-N 2.82Å; Q272-K275 VanDerWaalsContact O-N 3.12Å; T273-K275 VanDerWaalsContact C-N 3.29Å; T273-K275 PolarHBondContact O-N 2.87Å
276S42.1Very low45.1Very low71 Ų71128.1 Ų128.150%0.49766%0.661SS.*Hα-helixtrans-103-27.9178.3-57.90000113.5Q272 T273 H274Q272-S276 PolarHBondContact O-N 3.38Å; Q272-S276 PolarHBondContact O-OG 3.01Å; T273-S276 PolarHBondContact O-N 3.35Å; T273-S276 VanDerWaalsContact O-N 3.13Å; H274-S276 VanDerWaalsContact C-N 3.27Å; H274-S276 PolarHBondContact O-N 2.89Å
277Q42.7Very low43.5Very low156 Ų156129.3 Ų129.373%0.72967%0.67SS**Hα-helixtrans-75.9-28.6179.5-78.5-175.8-4400114T273 S279T273-Q277 PolarHBondContact O-N 2.94Å; T273-Q277 VanDerWaalsContact O-N 3.12Å; Q277-S279 PolarHBondContact O-N 2.76Å
278E39.6Very low42.2Very low181 Ų181131.7 Ų131.785%0.84670%0.698SS**THydrogen-bonded Turntrans-80.78.6-179-156.8168.3-166.400113.5
279S39.8Very low41.3Very low101 Ų101133.6 Ų133.671%0.70671%0.713SS**THydrogen-bonded Turntrans-130.916.1-176.3-620000114.5Q277Q277-S279 PolarHBondContact O-N 2.76Å
280Q36Very low40.7Very low162 Ų162131.5 Ų131.576%0.75771%0.714SS**  trans-135.280.4176.8-65.1-167.79.200112.6
281L34.9Very low40.2Very low175 Ų175137 Ų13792%0.91673%0.734SS**  trans-105114.4158.6-83.3167.8000108.6
282P37.5Very low39.5Very low121 Ų121137.8 Ų137.879%0.78675%0.748SS**  trans-92.3111.9-179.632.9-30.5000111.7
283E39.3Very low39.1Very low193 Ų193137.6 Ų137.690%0.90276%0.758SS**  trans-83.5140.2159.4-73-156.5128.200110.6
284E41.1Very low38.8Very low188 Ų188142.7 Ų142.788%0.87978%0.781SS**  trans-69.7148.6-179.6-74.9-166.99100112.7
285S34.3Very low38.5Very low113 Ų113139.7 Ų139.779%0.7979%0.785SS**  trans-113135.3172.657.20000111.7
286K38.7Very low38.4Very low196 Ų196138.6 Ų138.685%0.85279%0.787SS**  trans-149.3143161.9-112159.4-172158.40110.5
287P37.3Very low38.3Very low117 Ų117143.2 Ų143.276%0.7680%0.801SS**  trans-124.5155.8-144.538.3-23.6000116.7
288A35.2Very low38.2Very low98 Ų98139.5 Ų139.581%0.8180%0.797SS**  trans50.3121.3142.100000121.9
289S38.6Very low38.1Very low110 Ų110134.7 Ų134.777%0.76980%0.795SS**  -162.9112.9119.763.50000115.5
290S39.4Very low38Very low94 Ų94141.7 Ų141.766%0.65781%0.806SS**  trans55.3128.6137.269.30000124.3
291K39.4Very low37.9Very low200 Ų200139.9 Ų139.987%0.8781%0.807SS**  trans70.2146.2147.3-61.3162.1-176.4176.60117.5
292S38Very low38.3Very low110 Ų110136.6 Ų136.677%0.76980%0.796SS**  cis-163.1155.6-13.541.60000109.6
293P37.4Very low38.2Very low122 Ų122137.1 Ų137.179%0.79280%0.796SS**  trans-95.4165.8-166.738.1-37.4000115.1
294L37.8Very low38.1Very low180 Ų180131.8 Ų131.894%0.94279%0.785SS**  trans-177.4138.9144.1-105.9166.6000114
295G36.7Very low38Very low65 Ų65127.8 Ų127.867%0.6778%0.778SS**  trans80.7152.5157.700000118.6
296L41Very low38Very low158 Ų158131.4 Ų131.483%0.82778%0.782SS**  cis-159.4147-8.1-95.8169.9000109.3
297E39.3Very low37.8Very low168 Ų168127 Ų12779%0.78578%0.775SS**  trans51.6150.5148.5-57.4-62.585.500122.5
298A40.6Very low37.6Very low78 Ų78126.2 Ų126.265%0.64577%0.769SS**  cis-169.2136.6-23.800000112
299G37.5Very low37.7Very low79 Ų79129.6 Ų129.681%0.81477%0.767SS**  trans70162.3154.200000119.4
300R37.3Very low37.5Very low248 Ų248129.4 Ų129.494%0.93676%0.762SS**  cis-157.3155.3-20.8-151.6176.9-171.8175.42.4109.8
301T34Very low37.4Very low125 Ų125132.3 Ų132.377%0.76777%0.77SS**  trans-117.4-166.2-177.556.40000109.7
302P43.3Very low37.3Very low106 Ų106126.5 Ų126.569%0.68877%0.767SS**  cis-133.1-160.8-4525.4-2.2000113.8
303V36.8Very low37.3Very low132 Ų132125.3 Ų125.380%0.876%0.764SS**  trans88.7140.1149.1-1390000121.7
304A37Very low37.4Very low81 Ų81128.3 Ų128.367%0.66977%0.767SS**  trans102.299.2138.900000121.5
305S38.6Very low37.3Very low104 Ų104127.3 Ų127.373%0.72776%0.758SS**  67.9139.9117.7-54.70000124.2
306E35.2Very low37.3Very low188 Ų188130 Ų13088%0.87976%0.761SS**  trans67.6154.7148.2-73173.3175.700119.1
307C32.5Very low37Very low103 Ų103127.4 Ų127.470%0.69676%0.762SS**  cis-163.8163-30.7-158.90000110.5
308T34.3Very low36.8Very low102 Ų102122.3 Ų122.363%0.62676%0.755SS**  trans62.2136.5153.733.90000123.9
309Q36.3Very low36.5Very low168 Ų168124.8 Ų124.879%0.78577%0.767SS**  trans72.7152.9137.6-68.9168.718.400120.7
310T34.8Very low36.2Very low107 Ų107126.8 Ų126.866%0.65677%0.768SS**  cis-163.7171.4-24.827.80000111.9
311D37.5Very low36.4Very low154 Ų154120.1 Ų120.182%0.82476%0.756SS**  trans80.6135.9142.6-66.7-38.4000124.9
312G37.3Very low36.4Very low79 Ų79122.2 Ų122.281%0.81476%0.758SS**  trans100148.6143.900000118.8
313A39.1Very low35.8Very low84 Ų84122.5 Ų122.569%0.69476%0.758SS**  cis-169.8143.3-27.200000109.7
314E38Very low35.7Very low186 Ų186122.2 Ų122.287%0.86976%0.756SS**  trans55.2170.1151-76.2159.7153.800119
315E36.9Very low35.5Very low159 Ų159123.7 Ų123.774%0.74376%0.757SS**  cis-144.9139.1-12.5-122.9-160.6131.500107
316V35.6Very low35.6Very low120 Ų120127.6 Ų127.673%0.72776%0.763SS**  69.7131.497.9174.70000118
317A36Very low35.7Very low104 Ų104123.9 Ų123.986%0.8676%0.758SS**  trans64.8160.5170.300000117.9
318G33.7Very low36.4Very low62 Ų62124.7 Ų124.764%0.63976%0.762SS**  cis176.5162.4-9.300000113.6
319S35.7Very low36.9Very low129 Ų129125.3 Ų125.390%0.90277%0.768SS**  trans58.9130.216553.60000122.7
320C29.9Very low37Very low121 Ų121123 Ų12382%0.81877%0.77SS**  trans-74.5-175160.4-69.80000112.8
321P41.4Very low36.9Very low108 Ų108127.8 Ų127.870%0.70178%0.782SS**  cis-136.5-143.9-42.236.4-15.8000111.4
322Q35.6Very low36.7Very low170 Ų170126.9 Ų126.979%0.79479%0.786SS**  trans81.6151.9169.8-54.3-166.119.900116.5
323T30Very low36.5Very low112 Ų112132.4 Ų132.469%0.68779%0.788SS**  cis-157.8-166-16.627.50000109
324T35Very low36.3Very low125 Ų125135.9 Ų135.977%0.76779%0.794SS**  trans80.9104.6175.8710000115.5
325T33.3Very low36.1Very low112 Ų112133.1 Ų133.169%0.68779%0.79SS**  83117.459.560.70000115.4
326H40.6Very low36.3Very low186 Ų186132.3 Ų132.386%0.86180%0.795SS**  -178.7172.3120.3-90.4-56.2000111.8
327S36.4Very low36.2Very low111 Ų111135.4 Ų135.478%0.77680%0.799SS**  trans-125.6157.6-153.5-480000115
328P46.3Very low36.7Very low120 Ų120135.4 Ų135.478%0.77979%0.79SS**  trans-92.3169.1178.938.5-36.9000113.8
329P45Very low37.3Very low115 Ų115138.3 Ų138.375%0.74780%0.798SS**  -144.1166.2111.238.9-25000113.9
330S38.8Very low37.3Very low118 Ų118135.5 Ų135.583%0.82579%0.789SS**  -178.4161.896.1-710000112.7
331K33.1Very low37.6Very low208 Ų208136 Ų13690%0.90479%0.793SS**  trans-124154.6178-67.4177.5178.5174.40112
332C33.1Very low37.2Very low136 Ų136136.1 Ų136.192%0.91980%0.797SS**  trans-142.4164.6162.3-95.80000112.1
333K32.8Very low37.4Very low194 Ų194136.3 Ų136.384%0.84380%0.803SS**  trans-137.2151.8-169.8-61.1175.3177.6176.80112.5
334L35.4Very low37.7Very low158 Ų158138.7 Ų138.783%0.82781%0.811SS**  trans176.9132.8149-99.6168.2000107.7
335V34.5Very low37.7Very low128 Ų128136.4 Ų136.478%0.77681%0.812SS**  cis89.780.20.2-161.90000118
336V40.1Very low37.8Very low142 Ų142137.8 Ų137.886%0.86182%0.82SS**  trans-141.5151158.2-178.20000109.5
337K32.9Very low37.8Very low185 Ų185134.3 Ų134.380%0.80481%0.814SS**  trans-158.6-169.1-179.3-155.2-166178.3179.80109.7
338P48.2Very low37.8Very low104 Ų104134.3 Ų134.368%0.67581%0.811SS**  -81.8-149.7-112.543.6-26.3000112.4
339P45.5Very low37Very low123 Ų123136.1 Ų136.180%0.79982%0.815SS**  cis-138.2-176.2-8.242.9-24.8000116.7
340G35.1Very low36.7Very low69 Ų69136 Ų13671%0.71181%0.814SS**  120.2110.9126.300000119.9
341S36.6Very low36.3Very low131 Ų131134.4 Ų134.492%0.91681%0.808SS**  trans-179.4161.5133.637.40000110.7
342S33Very low36.5Very low112 Ų112130.3 Ų130.378%0.78380%0.802SS**  trans-143.3147.4-168.656.60000111.9
343L40.9Very low36.6Very low173 Ų173131.2 Ų131.291%0.90680%0.797SS**  trans-160161.5155-108.2164.9000110.7
344N35.2Very low36.9Very low163 Ų163128.1 Ų128.187%0.87279%0.793SS**  trans-98149.7-162.1-64.1-46.4000114.5
345G34.6Very low37Very low76 Ų76129.5 Ų129.578%0.78480%0.796SS**  trans-175.4118.516900000114
346V35Very low37.1Very low142 Ų142133.3 Ų133.386%0.86180%0.796SS**  trans-149.1145.3-179.6163.40000105.4
347P41.9Very low36.9Very low112 Ų112132 Ų13273%0.72778%0.784SS**  cis-128.6-149.917.843.1-23.6000111.7
348P35.9Very low37.3Very low111 Ų111126.5 Ų126.572%0.72177%0.767SS**  cis-126.3144.5-21.224.4-2.4000116.3
349N29.2Very low36.7Very low158 Ų158125 Ų12585%0.84576%0.763SS**  trans21.399139.5-149.143.3000120.6
350P38.7Very low36.9Very low114 Ų114126.1 Ų126.174%0.7476%0.755SS**PPolyproline II helixtrans-80.9154.115733.8-32.7000111.9
351A31.3Very low37.4Very low83 Ų83127.1 Ų127.169%0.68674%0.744SS**PPolyproline II helixtrans-65.5152.9179.700000113I353A351-I353 PolarHBondContact O-N 3.28Å
352P37Very low37.3Very low122 Ų122124.6 Ų124.679%0.79272%0.721SS**PPolyproline II helixtrans-64124.3-176.225.5-34.7000111.9V354P352-V354 PolarHBondContact O-N 3.21Å
353I34.8Very low37.9Very low156 Ų156124.9 Ų124.980%0.871%0.713SS**  trans-66.2105.2174.1-61172.7000108.3A351 Q355A351-I353 PolarHBondContact O-N 3.28Å; I353-Q355 PolarHBondContact O-N 3.4Å; I353-Q355 VanDerWaalsContact O-N 3.14Å
354V38.3Very low38.4Very low128 Ų128125.3 Ų125.378%0.77671%0.71SS**  trans-64.5113166.2177.70000107.2P352 R356P352-V354 PolarHBondContact O-N 3.21Å; V354-R356 PolarHBondContact O-N 3.47Å
355Q38.4Very low38.6Very low187 Ų187121.2 Ų121.287%0.87469%0.688SS**  trans-67.184.1172.9-72.9-177.5-41.500109.4I353 L357I353-Q355 PolarHBondContact O-N 3.4Å; I353-Q355 VanDerWaalsContact O-N 3.14Å; Q355-L357 PolarHBondContact O-N 3.03Å
356R35.7Very low38.9Very low209 Ų209126.5 Ų126.579%0.78969%0.686SS**PPolyproline II helixtrans-62.4130.2168.1-166.5173.7-170.4133.54107.6V354V354-R356 PolarHBondContact O-N 3.47Å
357L36.1Very low39.2Very low115 Ų115124.4 Ų124.460%0.60268%0.684SS**PPolyproline II helixtrans-53.7143.9172.7-72.5169.6000109.6Q355 A359 L361Q355-L357 PolarHBondContact O-N 3.03Å; L357-A359 PolarHBondContact O-N 2.91Å; L357-L361 HydrophobicContact CB-CB 4.19Å; L357-L361 HydrophobicContact CD1-CB 4.41Å; L357-L361 HydrophobicContact CD2-CD1 4.19Å
358P41.3Very low38.8Very low68 Ų68127 Ų12744%0.44268%0.683SS.*PPolyproline II helixtrans-50.2142.5170.3-27.135.5000110.8F360 L361P358-F360 HydrophobicContact CB-CD1 3.62Å; P358-F360 HydrophobicContact CB-CE1 3.27Å; P358-F360 HydrophobicContact CB-CE2 4.43Å; P358-F360 HydrophobicContact CB-CG 4.35Å; P358-F360 HydrophobicContact CB-CZ 3.72Å; P358-F360 HydrophobicContact CG-CE1 4.04Å; P358-F360 HydrophobicContact CG-CZ 4.09Å; P358-F360 PolarHBondContact O-N 3.34Å; P358-L361 PolarHBondContact O-N 2.96Å
359A36.7Very low38.8Very low72 Ų72125.3 Ų125.360%0.59567%0.674SS**G310 helixtrans-61.1-12.5-169.500000115.2L357 L361L357-A359 PolarHBondContact O-N 2.91Å; A359-L361 VanDerWaalsContact C-N 3.33Å
360F50Low39.2Very low147 Ų147124 Ų12465%0.64568%0.675SS**G310 helixtrans-80-7.8172.365.2-102.8000114.4P358P358-F360 HydrophobicContact CB-CD1 3.62Å; P358-F360 HydrophobicContact CB-CE1 3.27Å; P358-F360 HydrophobicContact CB-CE2 4.43Å; P358-F360 HydrophobicContact CB-CG 4.35Å; P358-F360 HydrophobicContact CB-CZ 3.72Å; P358-F360 HydrophobicContact CG-CE1 4.04Å; P358-F360 HydrophobicContact CG-CZ 4.09Å; P358-F360 PolarHBondContact O-N 3.34Å
361L43.6Very low39.1Very low90 Ų90126.4 Ų126.447%0.47168%0.678SS.*G310 helixtrans-109.812.1173.2-62.1179.6000112.6L357 P358 A359 N363L357-L361 HydrophobicContact CB-CB 4.19Å; L357-L361 HydrophobicContact CD1-CB 4.41Å; L357-L361 HydrophobicContact CD2-CD1 4.19Å; P358-L361 PolarHBondContact O-N 2.96Å; A359-L361 VanDerWaalsContact C-N 3.33Å; L361-N363 PolarHBondContact O-N 3.3Å
362D35.9Very low39.4Very low79 Ų79129.9 Ų129.942%0.42268%0.68SS.*  trans-79.7117.1172.3-154.6-28.8000109.1H364 N365D362-H364 PolarHBondContact O-N 3.06Å; D362-N365 PolarHBondContact O-N 2.99Å; D362-N365 VanDerWaalsContact O-N 3.07Å
363N45.9Very low39.3Very low118 Ų118133.6 Ų133.663%0.63169%0.687SS**THydrogen-bonded Turntrans-59.3-4.4-164-99.914.7000115.8L361L361-N363 PolarHBondContact O-N 3.3Å
364H49.9Very low39.7Very low181 Ų181133.3 Ų133.384%0.83868%0.682SS**THydrogen-bonded Turntrans-124.611.6-176.1-61.2-26.9000113.8D362D362-H364 PolarHBondContact O-N 3.06Å
365N40.3Very low39.8Very low78 Ų78136.2 Ų136.242%0.41769%0.687SS.*  trans-122.533.6-175.4-164.227.3000114.6D362 A367 K368D362-N365 PolarHBondContact O-N 2.99Å; D362-N365 VanDerWaalsContact O-N 3.07Å; N365-A367 PolarHBondContact O-N 3.31Å; N365-K368 PolarHBondContact O-N 3.13Å
366Y40.6Very low40Very low187 Ų187135.2 Ų135.273%0.73369%0.688SS**THydrogen-bonded Turntrans-60-8.9-175.6-87.5-85.6000116.4
367A41.1Very low40.3Very low98 Ų98133.2 Ų133.281%0.8169%0.692SS**THydrogen-bonded Turntrans-92.1-0.6-174.700000115.1N365N365-A367 PolarHBondContact O-N 3.31Å
368K34.8Very low40.2Very low165 Ų165132.5 Ų132.572%0.71770%0.703SS**  trans-134.764.9-173.6-68.6-168.3176.1-173.80114.4N365N365-K368 PolarHBondContact O-N 3.13Å
369S35.9Very low40.2Very low76 Ų76134.2 Ų134.253%0.53172%0.722SS.*  trans-89.5117.4154.7-64.40000108.9M371S369-M371 PolarHBondContact O-N 2.92Å; S369-M371 VanDerWaalsContact O-N 3.09Å
370P36.3Very low40.1Very low132 Ų132134.1 Ų134.186%0.85773%0.729SS**  trans-69105.4171-13.529000108.8
371M38.2Very low39.5Very low163 Ų163134.4 Ų134.480%0.80374%0.742SS**  trans-82.9128.9164.2-85.4-171.964.300108.9S369S369-M371 PolarHBondContact O-N 2.92Å; S369-M371 VanDerWaalsContact O-N 3.09Å
372Q36.7Very low38.9Very low157 Ų157133.7 Ų133.773%0.73476%0.756SS**  trans-71.2131.5179.1-170.2167.3-74.300109.7E374Q372-E374 PolarHBondContact NE2-OE2 3.47Å; Q372-E374 PolarHBondContact O-N 3.03Å
373E35.5Very low38.9Very low200 Ų200142 Ų14294%0.93578%0.782SS**  trans-75.2103.4174.8-65.9178147.700109.1
374E41.8Very low38.2Very low150 Ų150142.2 Ų142.270%0.70179%0.792SS**  trans-138.851.9-177.3-161167179.800111.9Q372Q372-E374 PolarHBondContact NE2-OE2 3.47Å; Q372-E374 PolarHBondContact O-N 3.03Å
375E41.1Very low37.5Very low188 Ų188145.1 Ų145.188%0.87980%0.796SS**SBendtrans-125.6-14.5171.1-87.2-172.9127.100114.9L377E375-L377 PolarHBondContact O-N 3.11Å
376D42.3Very low37.4Very low166 Ų166147.6 Ų147.689%0.88881%0.813SS**SBendtrans-87.45.4-177.2-99.4-24.2000115.1
377L41.5Very low37.1Very low168 Ų168144.3 Ų144.388%0.8882%0.815SS**  trans-105.744-178-66.5-179000113.8E375E375-L377 PolarHBondContact O-N 3.11Å
378A35Very low36.8Very low100 Ų100146.6 Ų146.683%0.82682%0.819SS**  trans-99.126.2177.700000114.4
379A41.9Very low36.8Very low103 Ų103148.2 Ų148.285%0.85182%0.82SS**SBendtrans-13371.5-174.200000114.3
380G34.5Very low36.5Very low71 Ų71148.3 Ų148.373%0.73283%0.826SS**SBendtrans110.1165.6160.100000117.4
381V37.8Very low36.8Very low153 Ų153148.2 Ų148.293%0.92783%0.825SS**  trans58.977.8176.3-164.50000115.3
382G30.8Very low36.6Very low75 Ų75147 Ų14777%0.77382%0.817SS**  trans-78.2154.3176.400000115.3
383R35.9Very low36.4Very low254 Ų254148.9 Ų148.996%0.95883%0.826SS**  trans-132.3132.3156.7-84.7-172.8166.6-175.3-3.3109.8
384S30.7Very low36.4Very low121 Ų121150 Ų15085%0.84682%0.823SS**  trans-81131.9-173-177.20000112.9
385R35.6Very low36Very low243 Ų243147.1 Ų147.192%0.91782%0.82SS**  trans-140.5148.9157.9-90.5-169.6172.4173.6-1.8111.3
386V36.9Very low36.1Very low129 Ų129147.8 Ų147.878%0.78282%0.823SS**PPolyproline II helixtrans-71.4140.1-164.1-178.80000112.6
387P35.3Very low36Very low119 Ų119146.4 Ų146.477%0.77382%0.816SS**PPolyproline II helixtrans-72.7137.9171.530.6-35.1000111.9
388V35.3Very low36Very low146 Ų146147 Ų14789%0.88581%0.814SS**PPolyproline II helixtrans-87.6137.3175.4178.40000110.3
389R32.9Very low36.5Very low199 Ų199149.3 Ų149.375%0.75181%0.813SS**PPolyproline II helixtrans-79.6140.1-175.9174.5174.9169.7168.8-4.5111.6
390A31.6Very low36.6Very low78 Ų78150.5 Ų150.565%0.64581%0.805SS**PPolyproline II helixtrans-63.5140.6174.600000112.1
391P41.4Very low37.1Very low130 Ų130158.2 Ų158.284%0.84481%0.813SS**PPolyproline II helixtrans-64.3140.7169.3-18.932.4000111.2
392Q34.5Very low37.2Very low137 Ų137159.2 Ų159.264%0.6481%0.808SS**PPolyproline II helixtrans-87150.5172-70.2168.4-122.100109.7
393Q32Very low37.8Very low196 Ų196163 Ų16392%0.91681%0.81SS**PPolyproline II helixtrans-60.8143.7170.3-65.2165.3-86.700110.2
394Y35.3Very low38.2Very low223 Ų223159 Ų15988%0.87580%0.803SS**  trans-122.6138158.2-87.4-89.8000107.8
395S33.4Very low38.6Very low91 Ų91160.7 Ų160.764%0.63680%0.802SS**  trans-88.4149.2170.248.70000110.1
396E43.5Very low38.8Very low201 Ų201159 Ų15994%0.93980%0.804SS**  trans-123.9131151.6-69.1-177.1134.100105.4
397D39.7Very low38.6Very low137 Ų137159.5 Ų159.573%0.73380%0.803SS**  trans-94.7156.9-173.3-53-80.5000111.1
398E42.3Very low38.8Very low181 Ų181160.3 Ų160.385%0.84681%0.806SS**  trans160.1159.3131.1-85.7-177.915600112
399D44.2Very low38.8Very low149 Ų149161.2 Ų161.280%0.79780%0.8SS**  trans55.393.4172.4-54.7-15.7000117.2
400D44.8Very low38.5Very low128 Ų128158.4 Ų158.468%0.68480%0.8SS**  75.2117.355.1-164.823.6000115
401Y46.1Very low38.7Very low232 Ų232160.9 Ų160.991%0.9181%0.807SS**  trans178134.3143.7-93.5-56.1000110.2
402E39.6Very low38.1Very low175 Ų175162.2 Ų162.282%0.81881%0.807SS**  trans-89.2156.4-174.8-55.9176125.200113.2
403D43.4Very low38.3Very low153 Ų153160.4 Ų160.482%0.81881%0.807SS**  trans-175.8117.8131.3-98.8-14.6000113.1
404E42.9Very low38.1Very low171 Ų171156 Ų15680%0.79980%0.804SS**  trans32.8109.8148.6-54.6-170.3154.500123.1
405D39.2Very low38Very low157 Ų157150.8 Ų150.884%0.8479%0.791SS**  49.3124.4119-57.6-16.2000123.9
406E40.3Very low37.7Very low206 Ų206157.5 Ų157.596%0.96380%0.802SS**  -157.2142116.6-125.7-175.3-173.100112.2
407D33.9Very low37.2Very low141 Ų141157.9 Ų157.975%0.75480%0.796SS**  trans-118.2119.9-157.9-158.2-10.2000112.8
408V38.5Very low36.6Very low136 Ų136161 Ų16182%0.82480%0.803SS**  trans-14482.5159.5-167.70000112.8
409Q34.3Very low36.1Very low165 Ų165163.7 Ų163.777%0.77181%0.806SS**  39.697.4129.2-60.6177.50.400119.9
410N28.7Very low35.3Very low140 Ų140166.3 Ų166.375%0.74981%0.81SS**  23.5128.6120.6-1451.2000117.9
411T34.8Very low34.6Very low130 Ų130163.3 Ų163.380%0.79881%0.81SS**  -164133.391.122.40000114.1
412N28.7Very low33.8Very low157 Ų157159 Ų15984%0.8481%0.807SS**  trans-108.7120168.7-102-58.5000111.3
413P38.4Very low33.3Very low100 Ų100154 Ų15465%0.64980%0.802SS**  trans-94.2105.3166.133-28.3000111.2I415P413-I415 HydrophobicContact CB-CG1 4.45Å; P413-I415 PolarHBondContact O-N 2.78Å
414A28.5Very low32.6Very low103 Ų103156.2 Ų156.285%0.85181%0.805SS**  trans-74.391175.300000111.9R416A414-R416 PolarHBondContact O-N 3.24Å
415I33.9Very low32Very low114 Ų114154.2 Ų154.259%0.58581%0.807SS**  trans-86.694.7-178.1-53.1-174.3000111.9P413 Y417P413-I415 HydrophobicContact CB-CG1 4.45Å; P413-I415 PolarHBondContact O-N 2.78Å; I415-Y417 HydrophobicContact CB-CE2 4.5Å; I415-Y417 HydrophobicContact CG2-CD2 3.66Å; I415-Y417 HydrophobicContact CG2-CE1 4.31Å; I415-Y417 HydrophobicContact CG2-CE2 3.32Å; I415-Y417 HydrophobicContact CG2-CG 4.28Å; I415-Y417 PolarHBondContact O-N 2.74Å; I415-Y417 VanDerWaalsContact O-N 3.16Å
416R27Very low31.5Very low232 Ų232150.4 Ų150.488%0.87580%0.804SS**  trans-81.277.5-179.3-168.8-168.6-147.4169.19112.7A414 K418A414-R416 PolarHBondContact O-N 3.24Å; R416-K418 PolarHBondContact O-N 3.08Å
417Y31.8Very low30.8Very low209 Ų209146.1 Ų146.182%0.8280%0.797SS**  trans-72.184.1176.9-80.4-59.1000114.1I415 R419I415-Y417 HydrophobicContact CB-CE2 4.5Å; I415-Y417 HydrophobicContact CG2-CD2 3.66Å; I415-Y417 HydrophobicContact CG2-CE1 4.31Å; I415-Y417 HydrophobicContact CG2-CE2 3.32Å; I415-Y417 HydrophobicContact CG2-CG 4.28Å; I415-Y417 PolarHBondContact O-N 2.74Å; I415-Y417 VanDerWaalsContact O-N 3.16Å; Y417-R419 PolarHBondContact O-N 2.96Å
418K28.1Very low30.7Very low202 Ų202146.9 Ų146.988%0.87880%0.8SS**  trans-76.892163.6-129.7-172.1-174.7-176.70109.3R416R416-K418 PolarHBondContact O-N 3.08Å
419R31.4Very low30.1Very low238 Ų238144.6 Ų144.690%0.89879%0.791SS**  trans-100.994.5170.7-159.5174.4-164176.75.7111.3Y417 G421Y417-R419 PolarHBondContact O-N 2.96Å; R419-G421 PolarHBondContact O-N 3.2Å
420K26.8Very low29.9Very low203 Ų203143.8 Ų143.888%0.88379%0.792SS**  trans-7488.1172.7-170.9-179.7-178.2-176.10109.2
421G31.5Very low29.8Very low66 Ų66142 Ų14268%0.6879%0.791SS**  trans-10796.8-17900000112.5R419 G423R419-G421 PolarHBondContact O-N 3.2Å; G421-G423 PolarHBondContact O-N 2.98Å
422T27.7Very low29.6Very low141 Ų141141.5 Ų141.587%0.86579%0.792SS**  trans-78.695.3174.647.30000110.9
423G29.9Very low29.5Very low69 Ų69142.5 Ų142.571%0.71180%0.797SS**  trans-111127.8170.900000111G421G421-G423 PolarHBondContact O-N 2.98Å
424K29.2Very low29Very low201 Ų201140.6 Ų140.687%0.87480%0.796SS**  trans-70.3144.1176.9-64177.8178.9179.20110.6G426K424-G426 PolarHBondContact O-N 3.28Å
425P29.2Very low29Very low128 Ų128145 Ų14583%0.83180%0.799SS**  trans-64.4122.2154.929-31.5000108.5S427P425-S427 PolarHBondContact O-N 3.22Å
426G28.7Very low28.8Very low77 Ų77146.5 Ų146.579%0.79481%0.807SS**  trans-78.2102.3-179.500000111.6K424 L428K424-G426 PolarHBondContact O-N 3.28Å; G426-L428 PolarHBondContact O-N 2.98Å
427S25.7Very low29.1Very low116 Ų116140.1 Ų140.181%0.81180%0.798SS**  trans-73.6101.5177.5167.20000112.4P425P425-S427 PolarHBondContact O-N 3.22Å
428L31.5Very low29.3Very low157 Ų157136.3 Ų136.382%0.82280%0.797SS**  trans-145.1103.5157.2-73-178.7000107G426G426-L428 PolarHBondContact O-N 2.98Å
429S27.3Very low29.8Very low89 Ų89129.5 Ų129.562%0.62277%0.769SS**  59.9116.195.470.30000112.9
430N28.8Very low30.4Very low147 Ų147124.5 Ų124.579%0.78676%0.756SS**  cis-136.8134.128.2-76.1-39.6000111.3
431S27.6Very low31.2Very low104 Ų104119.3 Ų119.373%0.72774%0.744SS**  80.482.772.5-50.90000115
432S30.2Very low32.3Very low118 Ų118121 Ų12183%0.82574%0.737SS**  trans-174.373.5146.337.90000112.3G434S432-G434 VanDerWaalsContact C-N 3.28Å; S432-G434 PolarHBondContact O-N 3.37Å
433D25.9Very low33.8Very low178 Ų178115.8 Ų115.895%0.95271%0.705SS**  trans-69.185.2166.7-80.7-62.2000110.5Q435D433-Q435 PolarHBondContact O-N 2.96Å
434G28.7Very low35.3Very low61 Ų61113.4 Ų113.463%0.62968%0.676SS**  trans-76.2107172.200000110.8S432 L436S432-G434 VanDerWaalsContact C-N 3.28Å; S432-G434 PolarHBondContact O-N 3.37Å; G434-L436 VanDerWaalsContact C-N 3.29Å; G434-L436 PolarHBondContact O-N 3.37Å
435Q27.4Very low36.8Very low194 Ų194108.6 Ų108.691%0.90766%0.659SS**  trans-68.879.8-178.5-166.8178.532.600111.8D433 S437D433-Q435 PolarHBondContact O-N 2.96Å; Q435-S437 PolarHBondContact O-N 2.93Å
436L30.1Very low38.6Very low146 Ų146105.7 Ų105.776%0.76464%0.639SS**  trans-68.286.6-179.8-84.7165.5000111.6G434 V438G434-L436 VanDerWaalsContact C-N 3.29Å; G434-L436 PolarHBondContact O-N 3.37Å; L436-V438 PolarHBondContact O-N 2.9Å
437S32.7Very low40.2Very low98 Ų98103 Ų10369%0.68561%0.607SS**  trans-67.8122.1176.1-165.90000110.9Q435 L439Q435-S437 PolarHBondContact O-N 2.93Å; S437-L439 PolarHBondContact O-N 3.48Å
438V37.4Very low41.9Very low129 Ų12998.6 Ų98.678%0.78258%0.575SS**  trans-7099.7-179.8177.90000109.5L436 Q440L436-V438 PolarHBondContact O-N 2.9Å; V438-Q440 PolarHBondContact O-N 3.47Å
439L38.9Very low43.4Very low59 Ų5996.9 Ų96.931%0.30956%0.563SS.*  trans-66115.3176.8-68.4177.6000110.6S437S437-L439 PolarHBondContact O-N 3.48Å
440Q42.7Very low45Very low133 Ų13397.4 Ų97.462%0.62155%0.554SS**  trans-65.9158.3-174.9-70.8-167.1-11.300112.7V438 N442 T443V438-Q440 PolarHBondContact O-N 3.47Å; Q440-N442 PolarHBondContact O-N 3.18Å; Q440-T443 WeakPolarHBondContact O-CB 3.21Å; Q440-T443 PolarHBondContact O-N 3.35Å; Q440-T443 PolarHBondContact O-OG1 2.87Å
441P44.8Very low46.5Very low95 Ų9591.6 Ų91.662%0.61752%0.523SS*.THydrogen-bonded Turntrans-52-32.4-178-29.736.4000115T443 I444P441-T443 PolarHBondContact O-N 3.35Å; P441-I444 PolarHBondContact O-N 2.99Å
442N53.7Low48Very low100 Ų10092.2 Ų92.254%0.53551%0.514SS..Hα-helixtrans-55.2-20.7177-61.7-10000113.8Q440 I444 N445 V446Q440-N442 PolarHBondContact O-N 3.18Å; N442-I444 PolarHBondContact O-N 3.49Å; N442-N445 PolarHBondContact O-N 3.32Å; N442-N445 VanDerWaalsContact O-N 3.1Å; N442-V446 WeakPolarHBondContact O-CG2 3.45Å; N442-V446 PolarHBondContact O-N 2.87Å
443T60.3Low49.1Very low32 Ų3292.8 Ų92.820%0.19650%0.504CS..Hα-helixtrans-56.7-34.9178.1-53.70000112.3L256 Q440 P441 L447L256-T443 HydrophobicContact CD2-CG2 4.36Å; Q440-T443 WeakPolarHBondContact O-CB 3.21Å; Q440-T443 PolarHBondContact O-N 3.35Å; Q440-T443 PolarHBondContact O-OG1 2.87Å; P441-T443 PolarHBondContact O-N 3.35Å; T443-L447 HydrophobicContact CG2-CD1 3.89Å; T443-L447 HydrophobicContact CG2-CG 4.26Å; T443-L447 WeakPolarHBondContact O-CB 3.31Å; T443-L447 VanDerWaalsContact O-CG 3.24Å; T443-L447 WeakPolarHBondContact O-CG 3.33Å; T443-L447 PolarHBondContact O-N 3.4Å
444I59.5Low50.3Low19 Ų1985.8 Ų85.810%0.09747%0.468CS..Hα-helixtrans-68.9-40177.5-67.4-177.5000111.4P441 N442 T448 L632 L635 E639P441-I444 PolarHBondContact O-N 2.99Å; N442-I444 PolarHBondContact O-N 3.49Å; I444-T448 VanDerWaalsContact O-CB 3.23Å; I444-T448 WeakPolarHBondContact O-CB 3.46Å; I444-T448 PolarHBondContact O-N 3.07Å; I444-T448 PolarHBondContact O-OG1 3.37Å; I444-L632 HydrophobicContact CG2-CD1 4.3Å; I444-L635 HydrophobicContact CD1-CD1 4.45Å; I444-L635 HydrophobicContact CD1-CD2 3.81Å; I444-L635 HydrophobicContact CD1-CG 3.8Å; I444-L635 HydrophobicContact CG1-CD2 3.79Å; I444-L635 HydrophobicContact CG1-CG 4.35Å; I444-E639 HydrophobicContact CD1-CG 3.54Å; I444-E639 WeakPolarHBondContact CD1-OE1 3.48Å
445N61.6Low51.2Low100 Ų10087.7 Ų87.754%0.53546%0.461SS..Hα-helixtrans-65.3-49.2176.1-67.6-8.8000110N442 L447 T448 E449N442-N445 PolarHBondContact O-N 3.32Å; N442-N445 VanDerWaalsContact O-N 3.1Å; N445-L447 VanDerWaalsContact C-N 3.34Å; N445-L447 PolarHBondContact O-N 2.97Å; N445-T448 CarbonylContact O-C 3.58Å; N445-T448 PolarHBondContact O-N 2.96Å; N445-T448 VanDerWaalsContact O-N 3.09Å; N445-E449 WeakPolarHBondContact O-CB 3.49Å; N445-E449 WeakPolarHBondContact O-CG 3.31Å; N445-E449 PolarHBondContact O-N 3.39Å
446V66.1Low52.1Low68 Ų6885.2 Ų85.241%0.41245%0.447SS..Hα-helixtrans-59.2-40.9178174.40000112.4N442 K450N442-V446 WeakPolarHBondContact O-CG2 3.45Å; N442-V446 PolarHBondContact O-N 2.87Å; V446-K450 HydrophobicContact CG1-CD 4.32Å; V446-K450 WeakPolarHBondContact O-CB 3.48Å; V446-K450 VanDerWaalsContact O-CG 3.32Å; V446-K450 WeakPolarHBondContact O-CG 3.44Å; V446-K450 PolarHBondContact O-N 2.68Å
447L62.5Low52.6Low21 Ų2184.8 Ų84.811%0.1145%0.446CS..Hα-helixtrans-71.8-35.6175.7-69.3176.2000112.2L256 L259 I263 T443 N445 L451L256-L447 HydrophobicContact CD2-CD1 4.08Å; L259-L447 HydrophobicContact CD2-CD1 3.98Å; I263-L447 HydrophobicContact CD1-CD2 3.79Å; T443-L447 HydrophobicContact CG2-CD1 3.89Å; T443-L447 HydrophobicContact CG2-CG 4.26Å; T443-L447 WeakPolarHBondContact O-CB 3.31Å; T443-L447 VanDerWaalsContact O-CG 3.24Å; T443-L447 WeakPolarHBondContact O-CG 3.33Å; T443-L447 PolarHBondContact O-N 3.4Å; N445-L447 VanDerWaalsContact C-N 3.34Å; N445-L447 PolarHBondContact O-N 2.97Å; L447-L451 VanDerWaalsContact O-CB 3.3Å; L447-L451 WeakPolarHBondContact O-CB 3.45Å; L447-L451 WeakPolarHBondContact O-CD1 3.19Å; L447-L451 WeakPolarHBondContact O-CG 3.44Å; L447-L451 PolarHBondContact O-N 2.74Å
448T62.3Low52.9Low23 Ų2387.2 Ų87.214%0.14145%0.45CS..Hα-helixtrans-67.2-43.2175.1-58.20000111.2I444 N445 L451 Q452 L632I444-T448 VanDerWaalsContact O-CB 3.23Å; I444-T448 WeakPolarHBondContact O-CB 3.46Å; I444-T448 PolarHBondContact O-N 3.07Å; I444-T448 PolarHBondContact O-OG1 3.37Å; N445-T448 CarbonylContact O-C 3.58Å; N445-T448 PolarHBondContact O-N 2.96Å; N445-T448 VanDerWaalsContact O-N 3.09Å; T448-L451 PolarHBondContact O-N 3.08Å; T448-Q452 HydrophobicContact CG2-CG 4.5Å; T448-Q452 WeakPolarHBondContact O-CB 3.39Å; T448-Q452 WeakPolarHBondContact O-CG 3.19Å; T448-Q452 PolarHBondContact O-N 2.95Å; T448-L632 HydrophobicContact CG2-CD2 4.28Å
449E62.9Low52.7Low121 Ų12185.6 Ų85.657%0.56545%0.445SS*.Hα-helixtrans-63.3-50.2176.7-73.7173.6153.400110.6N445 L451 Q452 E453N445-E449 WeakPolarHBondContact O-CB 3.49Å; N445-E449 WeakPolarHBondContact O-CG 3.31Å; N445-E449 PolarHBondContact O-N 3.39Å; E449-L451 VanDerWaalsContact C-N 3.27Å; E449-L451 PolarHBondContact O-N 3.48Å; E449-Q452 PolarHBondContact O-N 3.43Å; E449-E453 VanDerWaalsContact O-CB 3.31Å; E449-E453 WeakPolarHBondContact O-CB 3.03Å; E449-E453 PolarHBondContact O-N 3.33Å
450K60.7Low52.5Low99 Ų9988.7 Ų88.743%0.4347%0.466SS..Hα-helixtrans-58.6-36.5175.2-73.6-176.5176.3-166.50112.9V446 S454V446-K450 HydrophobicContact CG1-CD 4.32Å; V446-K450 WeakPolarHBondContact O-CB 3.48Å; V446-K450 VanDerWaalsContact O-CG 3.32Å; V446-K450 WeakPolarHBondContact O-CG 3.44Å; V446-K450 PolarHBondContact O-N 2.68Å; K450-S454 WeakPolarHBondContact O-CB 3.34Å; K450-S454 PolarHBondContact O-N 2.9Å; K450-S454 PolarHBondContact O-OG 2.77Å
451L59.5Low52.1Low26 Ų2687.6 Ų87.614%0.13647%0.47CS..Hα-helixtrans-74.7-25.8174.7-74.5170.6000114L259 L447 T448 E449 Q455 P628 L632L259-L451 HydrophobicContact CD1-CD1 4.37Å; L447-L451 VanDerWaalsContact O-CB 3.3Å; L447-L451 WeakPolarHBondContact O-CB 3.45Å; L447-L451 WeakPolarHBondContact O-CD1 3.19Å; L447-L451 WeakPolarHBondContact O-CG 3.44Å; L447-L451 PolarHBondContact O-N 2.74Å; T448-L451 PolarHBondContact O-N 3.08Å; E449-L451 VanDerWaalsContact C-N 3.27Å; E449-L451 PolarHBondContact O-N 3.48Å; L451-Q455 WeakPolarHBondContact O-CB 3.33Å; L451-P628 HydrophobicContact CD1-CB 4.07Å; L451-P628 HydrophobicContact CD2-CB 3.77Å; L451-P628 HydrophobicContact CD2-CG 4.4Å; L451-L632 HydrophobicContact CD1-CD2 4.33Å
452Q59Low51.6Low116 Ų11690.6 Ų90.654%0.54248%0.48SS..Hα-helixtrans-81.9-38.9173.8-77.4-174.49.100112.2T448 E449 Q455 K456T448-Q452 HydrophobicContact CG2-CG 4.5Å; T448-Q452 WeakPolarHBondContact O-CB 3.39Å; T448-Q452 WeakPolarHBondContact O-CG 3.19Å; T448-Q452 PolarHBondContact O-N 2.95Å; E449-Q452 PolarHBondContact O-N 3.43Å; Q452-Q455 PolarHBondContact O-N 2.77Å; Q452-K456 PolarHBondContact O-N 2.76Å
453E55.3Low50.6Low131 Ų13191.6 Ų91.661%0.61250%0.495SS*.Hα-helixtrans-62.4-54.6177.9-170.5162.8-124.500110.3E449 Q455 K456E449-E453 VanDerWaalsContact O-CB 3.31Å; E449-E453 WeakPolarHBondContact O-CB 3.03Å; E449-E453 PolarHBondContact O-N 3.33Å; E453-Q455 PolarHBondContact O-N 3.01Å; E453-K456 PolarHBondContact O-N 2.71Å
454S51.1Low49.4Very low30 Ų3097.5 Ų97.521%0.2152%0.524CS..THydrogen-bonded Turntrans-62.2-5.5174.659.80000115.6K450K450-S454 WeakPolarHBondContact O-CB 3.34Å; K450-S454 PolarHBondContact O-N 2.9Å; K450-S454 PolarHBondContact O-OG 2.77Å
455Q47.1Very low48.3Very low102 Ų102105.9 Ų105.948%0.47756%0.56SS.*THydrogen-bonded Turntrans-100.5-10.6175.5-154.4153.4121.200113.5L451 Q452 E453L451-Q455 WeakPolarHBondContact O-CB 3.33Å; Q452-Q455 PolarHBondContact O-N 2.77Å; E453-Q455 PolarHBondContact O-N 3.01Å
456K45.6Very low46.8Very low142 Ų142107.7 Ų107.762%0.61757%0.574SS**THydrogen-bonded Turntrans-80-37.9172.4-69.6172.3-177.1169.90111.4Q452 E453 L458 S459Q452-K456 PolarHBondContact O-N 2.76Å; E453-K456 PolarHBondContact O-N 2.71Å; K456-L458 PolarHBondContact O-N 3.14Å; K456-S459 PolarHBondContact O-N 3Å; K456-S459 VanDerWaalsContact O-N 3.15Å; K456-S459 PolarHBondContact O-OG 2.99Å
457D41.7Very low45.4Very low136 Ų136110.2 Ų110.273%0.72760%0.595SS**THydrogen-bonded Turntrans-69.6-2.8-174.4-60.7-30.8000115.1
458L38.4Very low44Very low150 Ų150115.5 Ų115.579%0.78563%0.633SS**THydrogen-bonded Turntrans-105.85.6176.6-78.2161.2000113.8K456 V460K456-L458 PolarHBondContact O-N 3.14Å; L458-V460 PolarHBondContact O-N 3.44Å
459S33.3Very low42.8Very low95 Ų95118.3 Ų118.366%0.66467%0.667SS**  trans-91.662.2-174.861.90000114.7K456 P461K456-S459 PolarHBondContact O-N 3Å; K456-S459 VanDerWaalsContact O-N 3.15Å; K456-S459 PolarHBondContact O-OG 2.99Å; S459-P461 WeakPolarHBondContact O-CD 3.46Å
460V34Very low41.6Very low124 Ų124118 Ų11875%0.75269%0.685SS**  trans-82.1119.8169.6-179.30000110.3L458 L462L458-V460 PolarHBondContact O-N 3.44Å; V460-L462 PolarHBondContact O-N 2.91Å
461P33.8Very low40.5Very low109 Ų109117.1 Ų117.171%0.70870%0.704SS**  trans-78107.2-177.229.9-34000112.2S459 S463S459-P461 WeakPolarHBondContact O-CD 3.46Å; P461-S463 PolarHBondContact O-N 3.27Å
462L34.2Very low39.5Very low158 Ų158121.5 Ų121.583%0.82774%0.737SS**  trans-68.696173-82.6169.2000111.6V460 I464V460-L462 PolarHBondContact O-N 2.91Å; L462-I464 PolarHBondContact O-N 3.1Å
463S32.7Very low38.6Very low121 Ų121122.1 Ų122.185%0.84675%0.751SS**  trans-72.5108.5171.5-66.10000110.8P461P461-S463 PolarHBondContact O-N 3.27Å
464I36.8Very low37.7Very low156 Ų156120.3 Ų120.380%0.876%0.759SS**  trans-109.6139.9169.8-63.7-176.9000110L462L462-I464 PolarHBondContact O-N 3.1Å
465K35.1Very low37.1Very low196 Ų196125.9 Ų125.985%0.85279%0.791SS**  trans-86.5134.6-160-171173.5-178.6176.30112.2
466T30.7Very low36.3Very low138 Ų138125.5 Ų125.585%0.84781%0.806SS**  trans-69.5137.917650.60000112.6
467S37Very low35.9Very low121 Ų121125.2 Ų125.285%0.84682%0.815SS**  trans-134.5148.4159.456.80000109.6
468S33.5Very low35.7Very low131 Ų131124.1 Ų124.192%0.91682%0.815SS**  trans-96.8135.9-169.645.50000113
469G36.1Very low35.5Very low82 Ų82123.9 Ų123.985%0.84582%0.82SS**  trans-152.7131.3168.600000109.5
470A37.6Very low35.7Very low114 Ų114127.9 Ų127.994%0.94283%0.828SS**  trans-100.5140.6-17100000112.7
471G36.9Very low35.8Very low81 Ų81126.4 Ų126.484%0.83582%0.824SS**  trans-172.1111174.400000111.8
472S38.5Very low35.9Very low119 Ų119129.7 Ų129.783%0.83283%0.83SS**  trans-90175.7177.6-56.80000111.7
473P41.4Very low36.1Very low129 Ų129127.6 Ų127.684%0.83883%0.825SS**  cis-126.5-177.1-3.627.3-4.3000114.2
474A35.5Very low36.1Very low93 Ų93127.2 Ų127.277%0.76982%0.822SS**  trans-92.6162.8-179.700000114.2
475V38.5Very low36.7Very low147 Ų147125.8 Ų125.889%0.89182%0.823SS**  trans-121135.7158.1176.30000107.4
476A31.9Very low37.2Very low94 Ų94122.5 Ų122.578%0.77782%0.82SS**  trans-138.5138.8-177.400000111.6
477V37Very low37.5Very low136 Ų136122 Ų12282%0.82482%0.819SS**  trans-138.5134.2169179.80000106.5
478P37.6Very low37.9Very low112 Ų112122.1 Ų122.173%0.72782%0.82SS**  trans-91.8156.4-156.835.1-37.2000114.8
479T32.4Very low38.1Very low145 Ų145123.2 Ų123.289%0.8982%0.815SS**  trans-76.5137.7156.2450000109.7
480H38.7Very low38.3Very low180 Ų180128.5 Ų128.583%0.83382%0.818SS**  trans-132.7135.4171.1-141.5-64.8000110.1
481S35.6Very low38.4Very low93 Ų93128.4 Ų128.465%0.6581%0.81SS**  trans-103151-168.945.70000113.2
482Q36.1Very low38.8Very low178 Ų178130.9 Ų130.983%0.83281%0.81SS**  trans-140.8122.4160-78-61.6-81.900109.1
483P37.6Very low38.8Very low113 Ų113132.4 Ų132.473%0.73481%0.808SS**PPolyproline II helixtrans-84.4163.2169.235.1-33.2000111.4
484S34.5Very low38.9Very low113 Ų113132.4 Ų132.479%0.7981%0.806SS**PPolyproline II helixtrans-77.3147.8178.337.30000113.4
485P48.7Very low38.9Very low126 Ų126132.2 Ų132.282%0.81881%0.805SS**PPolyproline II helixtrans-82.2148.5170.333.3-33.6000112.3
486T45.5Very low39.2Very low127 Ų127131.3 Ų131.378%0.77981%0.805SS**PPolyproline II helixtrans-78.2159.5175.937.70000113.1
487P37.2Very low39.6Very low128 Ų128135.5 Ų135.583%0.83181%0.809SS**PPolyproline II helixtrans-72.9147.4-179.530.8-36000112.5
488S45.2Very low39.7Very low123 Ų123137.5 Ų137.586%0.8681%0.813SS**  trans-104.7142.1174.8-58.40000111.3
489N36.9Very low39.5Very low154 Ų154135.1 Ų135.182%0.82481%0.809SS**  trans-108.3122.317659.4-58.5000110.4
490E41.8Very low39.7Very low194 Ų194134 Ų13491%0.90781%0.806SS**  trans-143.8146.9164.7-151.9165.3138.200110.6
491S38.2Very low39.6Very low111 Ų111129.6 Ų129.678%0.77680%0.801SS**  trans-113.9145.5-172.1-55.30000110.7
492T45.5Very low39.7Very low134 Ų134133.9 Ų133.982%0.82281%0.809SS**  trans-145.2124.7159.2-65.40000108.5
493D39.5Very low39.7Very low150 Ų150131.5 Ų131.580%0.80280%0.802SS**  trans-119.7124176.5173.524.5000108.2
494T43.4Very low39.4Very low129 Ų129131.7 Ų131.779%0.79181%0.806SS**  trans-152.4112.5167.450.80000109.8
495A35.5Very low39.7Very low90 Ų90132 Ų13274%0.74481%0.805SS**  trans-92.4149.5166.600000111.4
496S44.9Very low39.2Very low128 Ų128133.2 Ų133.290%0.89580%0.804SS**  trans-161.5153158.2-82.80000110.8
497E39.2Very low39Very low182 Ų182138 Ų13885%0.8581%0.808SS**  trans-96.3-167.9-173.5-58.9176.495.200112.7
498I40.3Very low39.1Very low177 Ų177137 Ų13791%0.90880%0.804SS**  trans67.5151.8175.580.5156000116
499G32.8Very low38.7Very low63 Ų63136.8 Ų136.865%0.64980%0.799SS**  cis146.8145.2-5.400000111.4
500S37.4Very low38.7Very low120 Ų120137 Ų13784%0.83980%0.799SS**  trans68.5125.1-168.8-162.70000113.4
501A36.2Very low38.5Very low88 Ų88138.3 Ų138.373%0.72780%0.796SS**  cis98.6144.526.500000115.4
502F37.1Very low38.6Very low183 Ų183138.8 Ų138.880%0.80380%0.799SS**  trans99128159.4-138.6-123.2000120.4
503N36.3Very low38.3Very low128 Ų128137 Ų13768%0.68480%0.798SS**  trans57.7124.6160.4-71.7-0.1000123.6
504S31.6Very low37.8Very low117 Ų117137.4 Ų137.482%0.81880%0.8SS**  trans-88.5156.4156.5-38.20000111.8
505P41Very low37.5Very low119 Ų119137.4 Ų137.477%0.77380%0.802SS**  trans-140129.6144.233.3-16.8000115.8
506L39Very low37.6Very low152 Ų152139.4 Ų139.480%0.79681%0.805SS**  trans22.7128.8138.5-56.3170.3000121.5
507R39.6Very low37.4Very low228 Ų228144.6 Ų144.686%0.8681%0.805SS**  trans50.7132.3133.2-65.7179.5173-109.41.1118.7
508S39.8Very low37.3Very low107 Ų107140.1 Ų140.175%0.74879%0.792SS**  cis-157.3170.421.4-37.50000110.2
509P37.5Very low37.1Very low118 Ų118137.2 Ų137.277%0.76679%0.787SS**  trans-94.7151-167.936.2-35.1000115.8
510I37.3Very low37.1Very low159 Ų159139.7 Ų139.782%0.81579%0.794SS**  trans-160.8134.2149-114.6165.4000112.2
511R37Very low37.2Very low222 Ų222139.6 Ų139.684%0.83879%0.791SS**  trans45.5120.5160.5-64.8-175.9175-129.8-3.2122
512S39.8Very low37Very low121 Ų121141 Ų14185%0.84679%0.79SS**  trans85.6156.1131.973.70000121.3
513A38.4Very low36.9Very low96 Ų96136.8 Ų136.879%0.79378%0.78SS**  trans77.6147.617900000118.2
514N29.2Very low36.8Very low158 Ų158135 Ų13585%0.84578%0.778SS**  trans-64.8148.6-174.1-62.7-19.1000114
515P37.8Very low36.9Very low129 Ų129137 Ų13784%0.83877%0.773SS**  trans-117.5134.8148.115.44.7000112.6
516T38.4Very low36.6Very low133 Ų133135.6 Ų135.682%0.81676%0.758SS**  trans-94.7120.1176.746.70000112.9
517R39.2Very low36.4Very low236 Ų236131.6 Ų131.689%0.89174%0.743SS**  trans60173.7155.6-104.5-169.3164.8-132.6-0.6117.3
518P38.3Very low36.2Very low89 Ų89128.3 Ų128.358%0.57874%0.735SS**  cis-129.9-178.6-23.131.1-11.4000114.5
519S35Very low36.1Very low116 Ų116127.5 Ų127.581%0.81173%0.726SS**  trans71.399.7150.439.20000120.6
520S34.1Very low36.1Very low114 Ų114127.9 Ų127.980%0.79772%0.72SS**  trans-126.1152.2140.8-161.20000106.5
521P38.6Very low35.9Very low118 Ų118129 Ų12977%0.76672%0.72SS**  trans-72.6146.5-16127.6-34.3000114.4T523P521-T523 PolarHBondContact O-N 3.04Å
522V31Very low35.7Very low118 Ų118120.5 Ų120.572%0.71570%0.702SS**  trans-67.1112.8178.91730000110.6I526V522-I526 HydrophobicContact CG1-CD1 4.42Å
523T36.3Very low35.5Very low95 Ų95121.1 Ų121.158%0.58369%0.691SS**  trans-72.8145.2153.752.30000109P521 H525P521-T523 PolarHBondContact O-N 3.04Å; T523-H525 PolarHBondContact O-N 3.31Å
524S33.8Very low35.3Very low91 Ų91123.1 Ų123.164%0.63669%0.688SS**  trans-80.592.8-155.453.40000114.9I526S524-I526 PolarHBondContact O-N 3.15Å
525H33.8Very low35.8Very low157 Ų157120 Ų12073%0.72767%0.671SS**  trans-76.99.9152.9-78-56.4000113.3T523 S527 K528T523-H525 PolarHBondContact O-N 3.31Å; H525-S527 VanDerWaalsContact C-N 3.31Å; H525-S527 PolarHBondContact O-N 3.14Å; H525-K528 PolarHBondContact O-N 3.32Å
526I35.7Very low35.9Very low90 Ų90117.6 Ų117.646%0.46266%0.658SS.*G310 helixtrans-71.1-21.8-170.4-66.3176.5000112.8V522 S524 K528 V529 L530V522-I526 HydrophobicContact CG1-CD1 4.42Å; S524-I526 PolarHBondContact O-N 3.15Å; I526-K528 PolarHBondContact O-N 2.97Å; I526-V529 PolarHBondContact O-N 2.72Å; I526-V529 VanDerWaalsContact O-N 3.11Å; I526-L530 HydrophobicContact CG2-CD1 3.46Å; I526-L530 VanDerWaalsContact CG2-CD1 3.46Å; I526-L530 HydrophobicContact CG2-CG 3.84Å; I526-L530 PolarHBondContact O-N 2.68Å
527S32.8Very low35.8Very low68 Ų68116.8 Ų116.848%0.47665%0.648SS.*G310 helixtrans-68.73.4171.151.10000114.6H525 E651H525-S527 VanDerWaalsContact C-N 3.31Å; H525-S527 PolarHBondContact O-N 3.14Å; S527-E651 WeakPolarHBondContact CB-OE1 3.43Å
528K37.1Very low36.1Very low159 Ų159110.6 Ų110.669%0.69163%0.632SS**G310 helixtrans-112.2-2.7168.2-73.3-168.8172.2-172.60115.6H525 I526H525-K528 PolarHBondContact O-N 3.32Å; I526-K528 PolarHBondContact O-N 2.97Å
529V37.3Very low36.7Very low90 Ų90111.8 Ų111.855%0.54563%0.625SS.*THydrogen-bonded Turntrans-127.9-6.6-169.7-170.30000113.1I526I526-V529 PolarHBondContact O-N 2.72Å; I526-V529 VanDerWaalsContact O-N 3.11Å
530L36.7Very low37.4Very low126 Ų126109.7 Ų109.766%0.6661%0.607SS**SBendtrans-106.7-7.5172.6-67.7-178.8000114.5I526I526-L530 HydrophobicContact CG2-CD1 3.46Å; I526-L530 VanDerWaalsContact CG2-CD1 3.46Å; I526-L530 HydrophobicContact CG2-CG 3.84Å; I526-L530 PolarHBondContact O-N 2.68Å
531F34.5Very low38.1Very low183 Ų183107.5 Ų107.580%0.80359%0.587SS**SBendtrans-146.4125.8171.3-60-77.7000109.9
532G32.1Very low38.8Very low44 Ų44104.3 Ų104.345%0.45457%0.567SS.*  trans101.39.7157.100000120.1D534 D535G532-D534 VanDerWaalsContact C-N 3.27Å; G532-D534 PolarHBondContact O-N 2.94Å; G532-D535 PolarHBondContact O-N 3.18Å
533E34.6Very low40.1Very low134 Ų134102.6 Ų102.663%0.62655%0.552SS**Hα-helixtrans-64.1-30.8174.5-71.1-162.1123.700112.8D535E533-D535 VanDerWaalsContact C-N 3.34Å; E533-D535 PolarHBondContact O-N 3.4Å
534D34.7Very low41.3Very low138 Ų138105.4 Ų105.474%0.73855%0.552SS**Hα-helixtrans-64.3-33172.6-66.6-63.4000113.6G532 S536 L537G532-D534 VanDerWaalsContact C-N 3.27Å; G532-D534 PolarHBondContact O-N 2.94Å; D534-S536 VanDerWaalsContact C-N 3.35Å; D534-S536 PolarHBondContact O-N 2.83Å; D534-L537 PolarHBondContact O-N 2.88Å
535D40.8Very low42.8Very low91 Ų91110.2 Ų110.249%0.48756%0.558SS.*Hα-helixtrans-77.1-24.3-173.8-137.7-29.5000112.2G532 E533 L537 L538 R539G532-D535 PolarHBondContact O-N 3.18Å; E533-D535 VanDerWaalsContact C-N 3.34Å; E533-D535 PolarHBondContact O-N 3.4Å; D535-L537 VanDerWaalsContact C-N 3.27Å; D535-L537 PolarHBondContact O-N 3.13Å; D535-L538 PolarHBondContact O-N 2.88Å; D535-R539 WeakPolarHBondContact O-CB 3.24Å; D535-R539 PolarHBondContact O-N 2.9Å
536S39.5Very low45.2Very low80 Ų80104 Ų10456%0.55953%0.53SS*.Hα-helixtrans-65.8-29.7174.9-670000112.5D534 V540D534-S536 VanDerWaalsContact C-N 3.35Å; D534-S536 PolarHBondContact O-N 2.83Å; S536-V540 WeakPolarHBondContact O-CG2 3.31Å; S536-V540 PolarHBondContact O-N 3.22Å
537L37.1Very low47.8Very low116 Ų116102.5 Ų102.561%0.60752%0.519SS*.Hα-helixtrans-72.4-46.1171.2-80.5164.9000111.5D534 D535 R539 V540 D541D534-L537 PolarHBondContact O-N 2.88Å; D535-L537 VanDerWaalsContact C-N 3.27Å; D535-L537 PolarHBondContact O-N 3.13Å; L537-R539 PolarHBondContact O-N 3.43Å; L537-V540 PolarHBondContact O-N 2.74Å; L537-V540 VanDerWaalsContact O-N 3.1Å; L537-D541 PolarHBondContact O-N 2.87Å
538L44.3Very low50.4Low105 Ų10599.2 Ų99.255%0.5550%0.496SS..Hα-helixtrans-56.9-39.4176.9-63.7179.1000112D535 D541 C542D535-L538 PolarHBondContact O-N 2.88Å; L538-D541 PolarHBondContact O-N 2.88Å; L538-C542 WeakPolarHBondContact O-CB 3.3Å; L538-C542 PolarHBondContact O-N 2.92Å; L538-C542 PolarHBondContact O-SG 2.84Å; L538-C542 VanDerWaalsContact O-SG 3.39Å
539R50.4Low52.8Low114 Ų11491.9 Ų91.943%0.4346%0.464SS..Hα-helixtrans-64.1-41.6177.1-150.1168.4175.5-164.2-4.1112.2D535 L537 I543 E641D535-R539 WeakPolarHBondContact O-CB 3.24Å; D535-R539 PolarHBondContact O-N 2.9Å; L537-R539 PolarHBondContact O-N 3.43Å; R539-I543 HydrophobicContact CG-CD1 4.41Å; R539-I543 WeakPolarHBondContact O-CB 3.48Å; R539-I543 VanDerWaalsContact O-CD1 3.31Å; R539-I543 WeakPolarHBondContact O-CD1 3.27Å; R539-I543 WeakPolarHBondContact O-CG1 3.39Å; R539-I543 PolarHBondContact O-N 2.83Å; R539-I543 VanDerWaalsContact O-N 3.13Å; R539-E641 IonicContact CZ-OE1 2.9Å; R539-E641 VanDerWaalsContact NH2-CG 3.33Å; R539-E641 IonicContact NH2-OE1 2.77Å; R539-E641 PolarHBondContact NH2-OE1 3Å
540V49.3Very low55.3Low73 Ų7394 Ų9444%0.44246%0.462SS..Hα-helixtrans-66.9-35.6177.1171.20000112.2S536 L537 R544S536-V540 WeakPolarHBondContact O-CG2 3.31Å; S536-V540 PolarHBondContact O-N 3.22Å; L537-V540 PolarHBondContact O-N 2.74Å; L537-V540 VanDerWaalsContact O-N 3.1Å; V540-R544 WeakPolarHBondContact O-CG 3.38Å; V540-R544 PolarHBondContact O-N 2.86Å
541D49.5Very low57.7Low68 Ų6889.8 Ų89.836%0.36444%0.441SS..Hα-helixtrans-78.2-38.7178.5-73.5-20.9000113L537 L538 I543 R544 Y545L537-D541 PolarHBondContact O-N 2.87Å; L538-D541 PolarHBondContact O-N 2.88Å; D541-I543 VanDerWaalsContact C-N 3.32Å; D541-I543 PolarHBondContact O-N 3.17Å; D541-R544 PolarHBondContact O-N 2.67Å; D541-R544 IonicContact OD1-CZ 3.44Å; D541-R544 IonicContact OD1-NE 2.68Å; D541-R544 PolarHBondContact OD1-NE 2.97Å; D541-R544 IonicContact OD1-NH2 2.65Å; D541-R544 PolarHBondContact OD1-NH2 3.02Å; D541-Y545 WeakPolarHBondContact O-CD2 3.5Å; D541-Y545 PolarHBondContact O-N 3.17Å
542C54.1Low60.3Low51 Ų5181.1 Ų81.135%0.34540%0.403SS..Hα-helixtrans-59-41.5171.3-76.50000112.3L538 R544 N546 V549L538-C542 WeakPolarHBondContact O-CB 3.3Å; L538-C542 PolarHBondContact O-N 2.92Å; L538-C542 PolarHBondContact O-SG 2.84Å; L538-C542 VanDerWaalsContact O-SG 3.39Å; C542-R544 VanDerWaalsContact C-N 3.33Å; C542-R544 PolarHBondContact O-N 2.93Å; C542-N546 WeakPolarHBondContact O-CB 3.44Å; C542-N546 PolarHBondContact O-N 3.02Å; C542-N546 VanDerWaalsContact O-N 3.15Å; C542-V549 HydrophobicContact CB-CG1 4.39Å
543I58Low62.8Low81 Ų8179.6 Ų79.642%0.41539%0.387SS..Hα-helixtrans-65.4-33.7177.3-70.5164.9000112.1R539 D541 V549R539-I543 HydrophobicContact CG-CD1 4.41Å; R539-I543 WeakPolarHBondContact O-CB 3.48Å; R539-I543 VanDerWaalsContact O-CD1 3.31Å; R539-I543 WeakPolarHBondContact O-CD1 3.27Å; R539-I543 WeakPolarHBondContact O-CG1 3.39Å; R539-I543 PolarHBondContact O-N 2.83Å; R539-I543 VanDerWaalsContact O-N 3.13Å; D541-I543 VanDerWaalsContact C-N 3.32Å; D541-I543 PolarHBondContact O-N 3.17Å; I543-V549 HydrophobicContact CG1-CG1 3.8Å
544R60.8Low65.4Low155 Ų15577.8 Ų77.859%0.58539%0.387SS*.Hα-helixtrans-77.2-31.9-178.2-77.4-170.3-71.8-168-0.5114.2V540 D541 C542V540-R544 WeakPolarHBondContact O-CG 3.38Å; V540-R544 PolarHBondContact O-N 2.86Å; D541-R544 PolarHBondContact O-N 2.67Å; D541-R544 IonicContact OD1-CZ 3.44Å; D541-R544 IonicContact OD1-NE 2.68Å; D541-R544 PolarHBondContact OD1-NE 2.97Å; D541-R544 IonicContact OD1-NH2 2.65Å; D541-R544 PolarHBondContact OD1-NH2 3.02Å; C542-R544 VanDerWaalsContact C-N 3.33Å; C542-R544 PolarHBondContact O-N 2.93Å
545Y65.4Low68Low191 Ų19173.1 Ų73.175%0.74936%0.363SS*.Hα-helixtrans-115.2-7.8-169-64.4-69.6000115.8D541D541-Y545 WeakPolarHBondContact O-CD2 3.5Å; D541-Y545 PolarHBondContact O-N 3.17Å
546N85.7Confident70.3Confident27 Ų2768.8 Ų68.814%0.14434%0.34CS..  trans-115.8122.3-178.3-162.3-79000112.5C542 A548 V549 R550 E630 A633C542-N546 WeakPolarHBondContact O-CB 3.44Å; C542-N546 PolarHBondContact O-N 3.02Å; C542-N546 VanDerWaalsContact O-N 3.15Å; N546-A548 PolarHBondContact O-N 3.24Å; N546-A548 PolarHBondContact OD1-N 2.79Å; N546-V549 HydrophobicContact CB-CB 4.08Å; N546-V549 HydrophobicContact CB-CG2 3.89Å; N546-V549 PolarHBondContact O-N 3.15Å; N546-R550 WeakPolarHBondContact O-CB 3.34Å; N546-R550 PolarHBondContact O-N 3.01Å; N546-E630 WeakPolarHBondContact OD1-CA 3.32Å; N546-A633 HydrophobicContact CB-CB 4.31Å; N546-A633 VanDerWaalsContact ND2-CB 3.27Å; N546-A633 WeakPolarHBondContact ND2-CB 3.4Å
547R89.2Confident72.4Confident58 Ų5865.7 Ų65.722%0.21932%0.318CS..Hα-helixtrans-58.1-51.3-176.3-173.2-170.2176.2165.35.4112.4V549 R550 D551 E624 Y626 E630R547-V549 VanDerWaalsContact C-N 3.34Å; R547-V549 PolarHBondContact O-N 3.32Å; R547-R550 PolarHBondContact O-N 3.15Å; R547-D551 WeakPolarHBondContact CG-OD2 3.37Å; R547-D551 IonicContact NE-OD2 2.68Å; R547-D551 PolarHBondContact NE-OD2 3.45Å; R547-D551 VanDerWaalsContact O-CB 3.29Å; R547-D551 WeakPolarHBondContact O-CB 3.09Å; R547-D551 PolarHBondContact O-N 3.22Å; R547-E624 IonicContact CZ-OE2 3.46Å; R547-E624 VanDerWaalsContact CZ-OE2 3.23Å; R547-E624 IonicContact NH1-OE2 2.89Å; R547-E624 PolarHBondContact NH1-OE2 2.7Å; R547-E624 IonicContact NH2-OE2 3.23Å; R547-E624 PolarHBondContact NH2-OE2 2.99Å; R547-Y626 HydrophobicContact CG-CD1 4.35Å; R547-Y626 HydrophobicContact CG-CE1 4Å; R547-E630 HydrophobicContact CB-CG 4.49Å; R547-E630 WeakPolarHBondContact CB-OE1 3.32Å
548A87.2Confident74.9Confident0 Ų064 Ų640%031%0.313CS..Hα-helixtrans-63.4-40.6-176.900000111.6N546 L552 Y626 E630 L634N546-A548 PolarHBondContact O-N 3.24Å; N546-A548 PolarHBondContact OD1-N 2.79Å; A548-L552 VanDerWaalsContact O-CB 3.27Å; A548-L552 WeakPolarHBondContact O-CB 3.29Å; A548-L552 PolarHBondContact O-N 2.72Å; A548-Y626 HydrophobicContact CB-CD1 3.69Å; A548-Y626 HydrophobicContact CB-CE1 3.97Å; A548-Y626 HydrophobicContact CB-CG 4.04Å; A548-E630 HydrophobicContact CB-CB 3.87Å; A548-L634 HydrophobicContact CB-CB 4.01Å; A548-L634 HydrophobicContact CB-CD2 4.26Å
549V88.4Confident77Confident4 Ų459.4 Ų59.42%0.02429%0.291CS..Hα-helixtrans-64.8-40.2175.9-1770000111.5C542 I543 N546 R547 G553 A633C542-V549 HydrophobicContact CB-CG1 4.39Å; I543-V549 HydrophobicContact CG1-CG1 3.8Å; N546-V549 HydrophobicContact CB-CB 4.08Å; N546-V549 HydrophobicContact CB-CG2 3.89Å; N546-V549 PolarHBondContact O-N 3.15Å; R547-V549 VanDerWaalsContact C-N 3.34Å; R547-V549 PolarHBondContact O-N 3.32Å; V549-G553 WeakPolarHBondContact O-CA 3.31Å; V549-G553 PolarHBondContact O-N 2.85Å; V549-A633 HydrophobicContact CG2-CB 3.95Å
550R88.2Confident79Confident134 Ų13457 Ų5751%0.50629%0.286SS..Hα-helixtrans-69.4-45.5178-172.9-166.266.7-151.5-6112.6N546 R547N546-R550 WeakPolarHBondContact O-CB 3.34Å; N546-R550 PolarHBondContact O-N 3.01Å; R547-R550 PolarHBondContact O-N 3.15Å
551D87.6Confident81Confident39 Ų3953.9 Ų53.921%0.20927%0.267CS..Hα-helixtrans-84.4-27.7-169.5-62.8-6.2000112.2R547R547-D551 WeakPolarHBondContact CG-OD2 3.37Å; R547-D551 IonicContact NE-OD2 2.68Å; R547-D551 PolarHBondContact NE-OD2 3.45Å; R547-D551 VanDerWaalsContact O-CB 3.29Å; R547-D551 WeakPolarHBondContact O-CB 3.09Å; R547-D551 PolarHBondContact O-N 3.22Å
552L89.2Confident82.9Confident0 Ų054.9 Ų54.90%027%0.27CS..Hα-helixtrans-115.9-25.6-178.3-58.5171.1000113.9A548 P554 V555 I556 L561 L569 P571 Y626 L634A548-L552 VanDerWaalsContact O-CB 3.27Å; A548-L552 WeakPolarHBondContact O-CB 3.29Å; A548-L552 PolarHBondContact O-N 2.72Å; L552-P554 VanDerWaalsContact C-CD 3.48Å; L552-V555 WeakPolarHBondContact O-CA 3.41Å; L552-V555 PolarHBondContact O-N 3.33Å; L552-I556 WeakPolarHBondContact O-CG2 3.49Å; L552-I556 PolarHBondContact O-N 2.77Å; L552-L561 HydrophobicContact CB-CD2 4.44Å; L552-L561 HydrophobicContact CD2-CD2 4.1Å; L552-L569 HydrophobicContact CD1-CD2 3.36Å; L552-P571 HydrophobicContact CD2-CG 3.75Å; L552-Y626 HydrophobicContact CD1-CD2 4.49Å; L552-Y626 HydrophobicContact CD1-CE2 3.66Å; L552-L634 HydrophobicContact CB-CD1 4.17Å; L552-L634 HydrophobicContact CB-CD2 4.35Å; L552-L634 HydrophobicContact CD1-CD2 3.66Å
553G85.5Confident84.6Confident12 Ų1253.8 Ų53.812%0.12426%0.26CS..THydrogen-bonded Turntrans-52.1-40-176.700000115.5V549 V555 I556V549-G553 WeakPolarHBondContact O-CA 3.31Å; V549-G553 PolarHBondContact O-N 2.85Å; G553-V555 PolarHBondContact O-N 3.21Å; G553-V555 VanDerWaalsContact O-N 3.14Å; G553-I556 WeakPolarHBondContact O-CG1 3.16Å
554P87.8Confident85.9Confident96 Ų9651.3 Ų51.362%0.62325%0.252SS*.THydrogen-bonded Turntrans-63.1-16.7174.1-2535.9000114.7L552L552-P554 VanDerWaalsContact C-CD 3.48Å
555V89.2Confident86.9Confident40 Ų4053.8 Ų53.824%0.24227%0.27CS..THydrogen-bonded Turntrans-106.1-21.8-174.5-166.20000113.3L552 G553 S557 T558 G559 P571L552-V555 WeakPolarHBondContact O-CA 3.41Å; L552-V555 PolarHBondContact O-N 3.33Å; G553-V555 PolarHBondContact O-N 3.21Å; G553-V555 VanDerWaalsContact O-N 3.14Å; V555-S557 PolarHBondContact O-N 3.18Å; V555-T558 WeakPolarHBondContact CA-OG1 3.38Å; V555-T558 PolarHBondContact O-N 3.26Å; V555-T558 PolarHBondContact O-OG1 3.24Å; V555-G559 PolarHBondContact O-N 2.81Å; V555-P571 HydrophobicContact CG1-CB 4.19Å
556I89.5Confident87.4Confident1 Ų148.9 Ų48.91%0.00526%0.257CS..THydrogen-bonded Turntrans-57.8-21.7-171.969.1-172.2000115.3L248 N251 L552 G553 L561 L634 C637 V638L248-I556 HydrophobicContact CD2-CB 4.41Å; L248-I556 HydrophobicContact CD2-CG1 4.06Å; L248-I556 VanDerWaalsContact CD2-O 3.31Å; L248-I556 WeakPolarHBondContact CD2-O 3.48Å; N251-I556 PolarHBondContact ND2-O 3.38Å; L552-I556 WeakPolarHBondContact O-CG2 3.49Å; L552-I556 PolarHBondContact O-N 2.77Å; G553-I556 WeakPolarHBondContact O-CG1 3.16Å; I556-L561 HydrophobicContact CG2-CD1 4.23Å; I556-L634 HydrophobicContact CG2-CD1 3.84Å; I556-C637 HydrophobicContact CD1-CB 4.42Å; I556-V638 HydrophobicContact CB-CG2 4.11Å; I556-V638 HydrophobicContact CD1-CG2 3.81Å; I556-V638 HydrophobicContact CG1-CG2 4.41Å; I556-V638 HydrophobicContact CG2-CG2 4.14Å
557S84.6Confident87Confident15 Ų1548.5 Ų48.511%0.10526%0.259CS..THydrogen-bonded Turntrans-108.2-6174.561.10000114.3R244 V555 E641R244-S557 WeakPolarHBondContact CD-O 3.16Å; R244-S557 VanDerWaalsContact CZ-O 3.29Å; R244-S557 PolarHBondContact NE-O 2.88Å; R244-S557 PolarHBondContact NH1-O 3.05Å; V555-S557 PolarHBondContact O-N 3.18Å; S557-E641 WeakPolarHBondContact CB-OE2 3.48Å; S557-E641 PolarHBondContact OG-OE2 2.78Å
558T88.3Confident86.7Confident79 Ų7946.8 Ų46.849%0.48526%0.255SS..THydrogen-bonded Turntrans-107-36.2-178.850.20000113.4V555V555-T558 WeakPolarHBondContact CA-OG1 3.38Å; V555-T558 PolarHBondContact O-N 3.26Å; V555-T558 PolarHBondContact O-OG1 3.24Å
559G88.9Confident86.7Confident9 Ų947 Ų479%0.09326%0.256CS..SBendtrans-133167-177.200000112.1V247 N251 V555V247-G559 WeakPolarHBondContact CG1-O 3.35Å; N251-G559 PolarHBondContact ND2-O 3.5Å; V555-G559 PolarHBondContact O-N 2.81Å
560L92.1Very high86.6Confident63 Ų6348.9 Ų48.933%0.3327%0.27SS..  trans-83.1145.8176.4-66175.7000111V247 V250 N251 L572V247-L560 HydrophobicContact CG1-CD2 4.31Å; V250-L560 HydrophobicContact CB-CD2 3.95Å; V250-L560 HydrophobicContact CG1-CD2 3.79Å; N251-L560 WeakPolarHBondContact OD1-CA 3.4Å; L560-L572 HydrophobicContact CB-CB 4.39Å; L560-L572 HydrophobicContact CB-CD2 4.39Å; L560-L572 VanDerWaalsContact O-CB 3.3Å; L560-L572 WeakPolarHBondContact O-CB 3.22Å; L560-L572 PolarHBondContact O-N 3.3Å
561L90.9Very high86.4Confident9 Ų944.7 Ų44.75%0.04726%0.26CS..EExtended strand (participates in β ladder)trans-91134.4170.1-60.6172.4000109N251 T254 V255 L552 I556 L569N251-L561 HydrophobicContact CB-CD1 3.81Å; N251-L561 HydrophobicContact CB-CG 4.17Å; N251-L561 PolarHBondContact OD1-N 3.29Å; T254-L561 HydrophobicContact CG2-CB 4.17Å; T254-L561 WeakPolarHBondContact CG2-O 3.4Å; T254-L561 PolarHBondContact OG1-O 3.15Å; V255-L561 HydrophobicContact CG2-CD1 3.82Å; L552-L561 HydrophobicContact CB-CD2 4.44Å; L552-L561 HydrophobicContact CD2-CD2 4.1Å; I556-L561 HydrophobicContact CG2-CD1 4.23Å; L561-L569 HydrophobicContact CB-CD2 4.18Å; L561-L569 HydrophobicContact CD1-CD2 4.15Å; L561-L569 HydrophobicContact CD2-CD2 4.15Å; L561-L569 HydrophobicContact CG-CD2 4.38Å
562H89.9Confident86.1Confident89 Ų8946.6 Ų46.641%0.41227%0.27SS..EExtended strand (participates in β ladder)trans-106.5137174.7-177.1-85.2000109.9L569 S570 L572H562-L569 WeakPolarHBondContact O-CA 3.35Å; H562-S570 PolarHBondContact N-O 3.21Å; H562-S570 PolarHBondContact O-N 2.95Å; H562-L572 HydrophobicContact CB-CB 4.26Å; H562-L572 HydrophobicContact CB-CD1 4.29Å
563L89.8Confident84.7Confident28 Ų2850.6 Ų50.615%0.14730%0.303CS..EExtended strand (participates in β ladder)trans-108.6112.2172.2178.156.7000108.3T254 E257 A258 L569T254-L563 HydrophobicContact CG2-CB 3.75Å; E257-L563 HydrophobicContact CB-CD2 3.88Å; A258-L563 HydrophobicContact CB-CD1 3.79Å; A258-L563 HydrophobicContact CB-CD2 3.96Å; A258-L563 HydrophobicContact CB-CG 4.49Å; L563-L569 HydrophobicContact CD1-CB 4.31Å
564A86.4Confident82.9Confident29 Ų2956.5 Ų56.524%0.2433%0.331CS..  trans-75.7160.3176.800000111.6D566 G567 V568A564-D566 VanDerWaalsContact CB-OD1 3.27Å; A564-D566 WeakPolarHBondContact CB-OD1 3.45Å; A564-D566 PolarHBondContact O-N 3Å; A564-G567 WeakPolarHBondContact O-CA 3.48Å; A564-G567 PolarHBondContact O-N 3.12Å; A564-V568 PolarHBondContact N-O 2.96Å
565E80.2Confident80.2Confident206 Ų20658 Ų5896%0.96334%0.338SS*.THydrogen-bonded Turntrans-62.8-22.2-177.2-61.1-173.915900113.6G567E565-G567 VanDerWaalsContact C-N 3.25Å; E565-G567 PolarHBondContact O-N 3.24Å
566D77.2Confident77.3Confident89 Ų8965 Ų6548%0.47637%0.368SS..THydrogen-bonded Turntrans-77.8-7.7172.865.9-2.8000113.2A564 V568 K625A564-D566 VanDerWaalsContact CB-OD1 3.27Å; A564-D566 WeakPolarHBondContact CB-OD1 3.45Å; A564-D566 PolarHBondContact O-N 3Å; D566-V568 WeakPolarHBondContact OD1-CB 3.4Å; D566-V568 WeakPolarHBondContact OD1-CG2 3.36Å; D566-V568 PolarHBondContact OD1-N 3.08Å; D566-V568 WeakPolarHBondContact OD2-CG2 3.44Å; D566-K625 WeakPolarHBondContact O-CE 3.4Å; D566-K625 PolarHBondContact O-NZ 2.74Å
567G76.9Confident74.5Confident19 Ų1968.9 Ų68.920%0.19641%0.408CS..SBendtrans84.811.5-175.800000114.6A564 E565A564-G567 WeakPolarHBondContact O-CA 3.48Å; A564-G567 PolarHBondContact O-N 3.12Å; E565-G567 VanDerWaalsContact C-N 3.25Å; E565-G567 PolarHBondContact O-N 3.24Å
568V83.9Confident71.8Confident21 Ų2171.5 Ų71.513%0.12744%0.437CS..  trans-79.1130.6169.2177.90000109.2A564 D566 G623 K625A564-V568 PolarHBondContact N-O 2.96Å; D566-V568 WeakPolarHBondContact OD1-CB 3.4Å; D566-V568 WeakPolarHBondContact OD1-CG2 3.36Å; D566-V568 PolarHBondContact OD1-N 3.08Å; D566-V568 WeakPolarHBondContact OD2-CG2 3.44Å; V568-G623 VanDerWaalsContact CG2-O 3.29Å; V568-G623 WeakPolarHBondContact CG2-O 3.49Å; V568-K625 HydrophobicContact CG2-CG 4.18Å
569L86.4Confident69.1Low4 Ų477.7 Ų77.72%0.02146%0.458CS..EExtended strand (participates in β ladder)trans-107.5125.1179.1-171.8147.9000109.8T254 V255 A258 L552 L561 H562 L563 Y626T254-L569 HydrophobicContact CG2-CD1 3.87Å; V255-L569 HydrophobicContact CG2-CD1 4.09Å; A258-L569 HydrophobicContact CB-CD1 3.68Å; L552-L569 HydrophobicContact CD1-CD2 3.36Å; L561-L569 HydrophobicContact CB-CD2 4.18Å; L561-L569 HydrophobicContact CD1-CD2 4.15Å; L561-L569 HydrophobicContact CD2-CD2 4.15Å; L561-L569 HydrophobicContact CG-CD2 4.38Å; H562-L569 WeakPolarHBondContact O-CA 3.35Å; L563-L569 HydrophobicContact CD1-CB 4.31Å; L569-Y626 HydrophobicContact CB-CE2 4.44Å; L569-Y626 WeakPolarHBondContact O-CE2 3.39Å
570S85.4Confident66.2Low45 Ų4581.2 Ų81.232%0.31549%0.494SS..EExtended strand (participates in β ladder)trans-138.1159.3-173590000111.9H562 L572H562-S570 PolarHBondContact N-O 3.21Å; H562-S570 PolarHBondContact O-N 2.95Å; S570-L572 PolarHBondContact O-N 2.96Å
571P85.4Confident63.2Low46 Ų4683.7 Ų83.730%0.29952%0.517SS..EExtended strand (participates in β ladder)trans-64.2129.5167.7-18.633000110.1L552 V555 A573L552-P571 HydrophobicContact CD2-CG 3.75Å; V555-P571 HydrophobicContact CG1-CB 4.19Å; P571-A573 PolarHBondContact O-N 2.88Å; P571-A573 VanDerWaalsContact O-N 3.14Å
572L81.2Confident60.5Low79 Ų7988.5 Ų88.541%0.41455%0.551SS.*  trans-68.8110.9169.9-175.365.2000108.5L560 H562 S570 L574L560-L572 HydrophobicContact CB-CB 4.39Å; L560-L572 HydrophobicContact CB-CD2 4.39Å; L560-L572 VanDerWaalsContact O-CB 3.3Å; L560-L572 WeakPolarHBondContact O-CB 3.22Å; L560-L572 PolarHBondContact O-N 3.3Å; H562-L572 HydrophobicContact CB-CB 4.26Å; H562-L572 HydrophobicContact CB-CD1 4.29Å; S570-L572 PolarHBondContact O-N 2.96Å; L572-L574 PolarHBondContact O-N 3.35Å
573A60.4Low57.6Low84 Ų8490.4 Ų90.469%0.69457%0.571SS**  trans-66.298.6177.100000110.1P571 T575P571-A573 PolarHBondContact O-N 2.88Å; P571-A573 VanDerWaalsContact O-N 3.14Å; A573-T575 VanDerWaalsContact C-N 3.27Å; A573-T575 PolarHBondContact O-N 3.49Å
574L45.9Very low54.9Low136 Ų13694.7 Ų94.771%0.71260%0.603SS**  trans-66.289.7165.7-74.3171.4000108.6L572 E576L572-L574 PolarHBondContact O-N 3.35Å; L574-E576 PolarHBondContact O-N 3.49Å; L574-E576 VanDerWaalsContact O-N 3.1Å
575T31.1Very low52.6Low128 Ų12899.9 Ų99.979%0.78563%0.632SS**  trans-61.7108.8162.252.90000107.6A573 G577A573-T575 VanDerWaalsContact C-N 3.27Å; A573-T575 PolarHBondContact O-N 3.49Å; T575-G577 PolarHBondContact O-N 3.44Å
576E29.7Very low50.2Low187 Ų187101.8 Ų101.887%0.87463%0.631SS**PPolyproline II helixtrans-54.1136.2174.5-70.2-161.2136.600110L574 G578L574-E576 PolarHBondContact O-N 3.49Å; L574-E576 VanDerWaalsContact O-N 3.1Å; E576-G578 PolarHBondContact O-N 3.25Å; E576-G578 VanDerWaalsContact O-N 3.11Å
577G29.4Very low48.2Very low81 Ų81103.2 Ų103.284%0.83565%0.648SS**PPolyproline II helixtrans-55.7117.4-170.100000111.9T575T575-G577 PolarHBondContact O-N 3.44Å
578G28.5Very low46.2Very low70 Ų70107.2 Ų107.272%0.72267%0.672SS**PPolyproline II helixtrans-57.8144.9-175.400000113E576 G580E576-G578 PolarHBondContact O-N 3.25Å; E576-G578 VanDerWaalsContact O-N 3.11Å; G578-G580 PolarHBondContact O-N 2.89Å
579K31Very low44Very low210 Ų210115.6 Ų115.691%0.91371%0.71SS**PPolyproline II helixtrans-51.5126.2171.4-67.5177.9179.2176.50109.4S581K579-S581 PolarHBondContact O-N 2.6Å
580G27.6Very low41.4Very low83 Ų83119.3 Ų119.386%0.85675%0.75SS**  trans-61.5106.1-173.300000113.3G578G578-G580 PolarHBondContact O-N 2.89Å
581S30.7Very low38.9Very low115 Ų115122.6 Ų122.680%0.80477%0.772SS**  trans-91.5105.8167.657.70000109.8K579K579-S581 PolarHBondContact O-N 2.6Å
582S32.7Very low36.5Very low110 Ų110129.5 Ų129.577%0.76980%0.801SS**  trans-59138.1-179.7-55.60000112.5S584S582-S584 PolarHBondContact O-N 2.8Å
583P30.7Very low34.2Very low129 Ų129129.2 Ų129.284%0.83882%0.817SS**  trans-76.5103.4176.730.5-33.3000110.8
584S32.7Very low32.9Very low117 Ų117130.9 Ų130.982%0.81882%0.823SS**PPolyproline II helixtrans-85.8131171.949.90000111.5S582S582-S584 PolarHBondContact O-N 2.8Å
585T38.2Very low32.4Very low138 Ų138130 Ų13085%0.84783%0.828SS**PPolyproline II helixtrans-70.2142.2-170.4-50.80000113.1S587T585-S587 PolarHBondContact O-N 3.41Å
586R28.5Very low32.6Very low247 Ų247126.9 Ų126.993%0.93282%0.822SS**PPolyproline II helixtrans-73.1117.3178.6-165.7-174.6-160.8179.76.2111.7
587S36.6Very low33Very low119 Ų119125.5 Ų125.583%0.83282%0.82SS**  trans-137.3161.3162.558.50000110.6T585T585-S587 PolarHBondContact O-N 3.41Å
588S35.2Very low33.4Very low102 Ų102129.2 Ų129.271%0.71382%0.816SS**  trans-128.3152-151.756.60000115.7
589Q35.8Very low33.7Very low198 Ų198132.2 Ų132.293%0.92581%0.811SS**  trans71.3139.9162.3-63.3171.8-1400117.8
590G33.1Very low34Very low82 Ų82129.7 Ų129.785%0.84580%0.8SS**  trans153.4135.5178.100000109.9
591S32.3Very low34.3Very low113 Ų113133.9 Ų133.979%0.7980%0.797SS**  trans-141.5156.3-165.9-155.70000114.2
592Q35.6Very low34.5Very low192 Ų192133.7 Ų133.790%0.89779%0.791SS**  trans77.2148.1162.6-62.4174.3-8.500120.9
593G32.3Very low34.9Very low73 Ų73134.8 Ų134.875%0.75379%0.793SS**  trans105.3106.2175.600000113.5
594S34.4Very low34.8Very low119 Ų119136.7 Ų136.783%0.83279%0.79SS**  71.1129.656.2-154.50000112.6
595S34.5Very low35.1Very low116 Ų116137.7 Ų137.781%0.81179%0.791SS**  cis-173.91632.830.30000112.1
596G36.2Very low34.8Very low64 Ų64136.3 Ų136.366%0.6678%0.783SS**  trans128.6117.6170.200000112.9
597L36.5Very low35.1Very low158 Ų158133.7 Ų133.783%0.82778%0.781SS**  70.3130.763.7-62.9173.5000111.7
598E37.6Very low35.1Very low159 Ų159133.1 Ų133.174%0.74378%0.777SS**  cis-162.7167.216.4-107.6152.7-131.600108.3
599E34.7Very low35.2Very low132 Ų132139.5 Ų139.562%0.61779%0.786SS**  cis-170.5173.5-8.7-160.3-154.1162.700108.7
600K39.2Very low35.1Very low158 Ų158136.4 Ų136.469%0.68778%0.775SS**  trans67.8125.1161.6-72.6166177.7131.30119.4
601E33.1Very low35.5Very low170 Ų170142.3 Ų142.379%0.79478%0.778SS**  cis75.8141.721-130-159.8171.900113.9
602V34.6Very low35.6Very low112 Ų112142.8 Ų142.868%0.67978%0.778SS**  cis-148.4162.413.3-154.10000110.4
603V40.5Very low35.2Very low133 Ų133137 Ų13781%0.80677%0.77SS**  154126.8127166.30000111.6
604E28.8Very low35.4Very low169 Ų169140.9 Ų140.979%0.7977%0.772SS**  trans-130.6139.3178.8171.3-175.4-137.100109
605V39.3Very low35.1Very low138 Ų138143.1 Ų143.184%0.83678%0.775SS**  trans-144.7132.1161.2-177.30000109.1
606T32.1Very low35Very low108 Ų108148.4 Ų148.466%0.66378%0.777SS**  trans-102.4149.3176.542.80000111.4
607E35.3Very low34.6Very low192 Ų192150 Ų15090%0.89778%0.778SS**  -174.5156.1120.5-102.9-171.9164.100113.8
608S35.6Very low34.4Very low108 Ų108148 Ų14876%0.75578%0.778SS**  trans-75.4153.6-167.246.40000116.6
609R37.5Very low33.9Very low236 Ų236148.1 Ų148.189%0.89178%0.778SS**  -160.9155.5124.4-144.5160.8179.2173.80.2116
610D35.2Very low33.9Very low132 Ų132147.6 Ų147.671%0.70679%0.786SS**  trans-68146.1-167.8-37.4-94.1000117.4
611K40.2Very low34.2Very low207 Ų207145.9 Ų145.990%0.978%0.784SS**  -166.8157.7114.4-105171-178.4179.50112.8
612P33.9Very low34.6Very low122 Ų122141.2 Ų141.279%0.79277%0.77SS**  trans-109.2153.5-156.639.4-34.6000116.9
613G28.5Very low35.7Very low70 Ų70138.6 Ų138.672%0.72277%0.766SS**  98.795.2123.100000119.6
614L35.8Very low37.1Very low155 Ų155137.3 Ų137.381%0.81275%0.751SS**  trans-153.651.7142.4-152.175.6000114.1R616L614-R616 PolarHBondContact O-N 3.31Å
615N27.4Very low39.7Very low167 Ų167134.8 Ų134.889%0.89374%0.737SS**  trans-68.396.7168.2-80.410.3000110S617N615-S617 PolarHBondContact O-N 3.28Å
616R32.2Very low41.9Very low227 Ų227129.2 Ų129.286%0.85770%0.702SS**  trans-74.8100.2160.1-80.6-171.8171-170.9-2.2108.4L614 S618L614-R616 PolarHBondContact O-N 3.31Å; R616-S618 PolarHBondContact O-N 3.41Å; R616-S618 VanDerWaalsContact O-N 3.17Å
617S29.2Very low44.6Very low96 Ų96126.2 Ų126.267%0.67169%0.685SS**  trans-61.4111.6169.445.50000110.2N615 E619N615-S617 PolarHBondContact O-N 3.28Å; S617-E619 PolarHBondContact O-N 2.95Å
618S31.1Very low47Very low118 Ų118119 Ų11983%0.82565%0.654SS**  trans-74.377.9161.556.50000108.5R616R616-S618 PolarHBondContact O-N 3.41Å; R616-S618 VanDerWaalsContact O-N 3.17Å
619E28.6Very low49.5Very low161 Ų161119.9 Ų119.975%0.75265%0.645SS**PPolyproline II helixtrans-60.6139.3166.9-69.7-170.6120.400109.1S617 L621S617-E619 PolarHBondContact O-N 2.95Å; E619-L621 PolarHBondContact O-N 3.23Å
620P34.3Very low52Low121 Ų121110.6 Ų110.679%0.78661%0.612SS**PPolyproline II helixtrans-62.9133.516928.5-33.1000108.4S622P620-S622 PolarHBondContact O-N 3.08Å
621L45.8Very low54.7Low121 Ų121104.6 Ų104.663%0.63458%0.579SS**PPolyproline II helixtrans-51.8117.3178-72.7166.1000109.7E619 G623E619-L621 PolarHBondContact O-N 3.23Å; L621-G623 PolarHBondContact O-N 3.22Å
622S40.2Very low57.1Low72 Ų7295.8 Ų95.850%0.50354%0.542SS..PPolyproline II helixtrans-58.3134.9174.548.40000109.4P620 E624P620-S622 PolarHBondContact O-N 3.08Å; S622-E624 PolarHBondContact O-N 2.98Å
623G59.2Low59.8Low57 Ų5790.8 Ų90.859%0.58851%0.511SS*.  trans-71.551.9-175.700000113.9V568 L621V568-G623 VanDerWaalsContact CG2-O 3.29Å; V568-G623 WeakPolarHBondContact CG2-O 3.49Å; L621-G623 PolarHBondContact O-N 3.22Å
624E69.3Low62.8Low106 Ų10687.4 Ų87.450%0.49548%0.476SS..PPolyproline II helixtrans-83.4133.8175.3-65.6179.6151.400110.1R547 S622R547-E624 IonicContact CZ-OE2 3.46Å; R547-E624 VanDerWaalsContact CZ-OE2 3.23Å; R547-E624 IonicContact NH1-OE2 2.89Å; R547-E624 PolarHBondContact NH1-OE2 2.7Å; R547-E624 IonicContact NH2-OE2 3.23Å; R547-E624 PolarHBondContact NH2-OE2 2.99Å; S622-E624 PolarHBondContact O-N 2.98Å
625K82.5Confident65.5Low117 Ų11780 Ų8051%0.50944%0.438SS..PPolyproline II helixtrans-75.9131.5178.7-49.8-174-164.6-1680109.6D566 V568D566-K625 WeakPolarHBondContact O-CE 3.4Å; D566-K625 PolarHBondContact O-NZ 2.74Å; V568-K625 HydrophobicContact CG2-CG 4.18Å
626Y87.1Confident68.5Low21 Ų2177.9 Ų77.98%0.08242%0.42CS..PPolyproline II helixtrans-63.9143.8171.8-58-73.4000110.9L262 R547 A548 L552 L569 L631L262-Y626 VanDerWaalsContact CD2-O 3.3Å; L262-Y626 WeakPolarHBondContact CD2-O 3.42Å; R547-Y626 HydrophobicContact CG-CD1 4.35Å; R547-Y626 HydrophobicContact CG-CE1 4Å; A548-Y626 HydrophobicContact CB-CD1 3.69Å; A548-Y626 HydrophobicContact CB-CE1 3.97Å; A548-Y626 HydrophobicContact CB-CG 4.04Å; L552-Y626 HydrophobicContact CD1-CD2 4.49Å; L552-Y626 HydrophobicContact CD1-CE2 3.66Å; L569-Y626 HydrophobicContact CB-CE2 4.44Å; L569-Y626 WeakPolarHBondContact O-CE2 3.39Å; Y626-L631 HydrophobicContact CD2-CD2 4.1Å; Y626-L631 HydrophobicContact CG-CD2 4.33Å
627S86.9Confident71.4Confident45 Ų4567.9 Ų67.932%0.31539%0.385SS..PPolyproline II helixtrans-69.4161.8174700000111.8K629 E630 L631S627-K629 PolarHBondContact O-N 3.5Å; S627-K629 VanDerWaalsContact O-N 3.13Å; S627-E630 WeakPolarHBondContact CB-OE2 3.38Å; S627-E630 PolarHBondContact N-OE2 2.69Å; S627-E630 PolarHBondContact O-N 2.99Å; S627-E630 VanDerWaalsContact OG-CD 3.32Å; S627-E630 WeakPolarHBondContact OG-CG 3.18Å; S627-E630 PolarHBondContact OG-N 3.13Å; S627-E630 PolarHBondContact OG-OE2 3.23Å; S627-L631 PolarHBondContact O-N 3.3Å
628P87.1Confident74.4Confident39 Ų3963.3 Ų63.325%0.25335%0.353SS..Hα-helixtrans-58.4-29.3176.2-22.833.1000113.1L259 L262 L451 L632L259-P628 HydrophobicContact CD1-CB 4.05Å; L262-P628 HydrophobicContact CD2-CB 4.42Å; L262-P628 HydrophobicContact CD2-CG 3.7Å; L262-P628 HydrophobicContact CG-CG 4.22Å; L451-P628 HydrophobicContact CD1-CB 4.07Å; L451-P628 HydrophobicContact CD2-CB 3.77Å; L451-P628 HydrophobicContact CD2-CG 4.4Å; P628-L632 WeakPolarHBondContact O-CB 3.29Å; P628-L632 PolarHBondContact O-N 3.25Å
629K87.9Confident77.3Confident128 Ų12859.7 Ų59.756%0.55732%0.323SS*.Hα-helixtrans-71.5-30.8176.7-66.5-174.2177.6-176.30112.7S627 A633S627-K629 PolarHBondContact O-N 3.5Å; S627-K629 VanDerWaalsContact O-N 3.13Å; K629-A633 WeakPolarHBondContact O-CB 3.34Å; K629-A633 PolarHBondContact O-N 2.85Å
630E90.2Very high80.4Confident41 Ų4154.2 Ų54.219%0.19231%0.305CS..Hα-helixtrans-79.9-44.2177.4-70.4159131.400111.2N546 R547 A548 S627 L632 A633 L634N546-E630 WeakPolarHBondContact OD1-CA 3.32Å; R547-E630 HydrophobicContact CB-CG 4.49Å; R547-E630 WeakPolarHBondContact CB-OE1 3.32Å; A548-E630 HydrophobicContact CB-CB 3.87Å; S627-E630 WeakPolarHBondContact CB-OE2 3.38Å; S627-E630 PolarHBondContact N-OE2 2.69Å; S627-E630 PolarHBondContact O-N 2.99Å; S627-E630 VanDerWaalsContact OG-CD 3.32Å; S627-E630 WeakPolarHBondContact OG-CG 3.18Å; S627-E630 PolarHBondContact OG-N 3.13Å; S627-E630 PolarHBondContact OG-OE2 3.23Å; E630-L632 VanDerWaalsContact C-N 3.33Å; E630-L632 PolarHBondContact O-N 3.26Å; E630-A633 PolarHBondContact O-N 3.29Å; E630-L634 WeakPolarHBondContact O-CB 3.26Å; E630-L634 PolarHBondContact O-N 3.11Å
631L90.6Very high83.2Confident5 Ų549.1 Ų49.13%0.02627%0.271CS..Hα-helixtrans-61.4-39.9172.5-66179.1000112.2A258 L259 L262 Y626 S627 L634 L635A258-L631 HydrophobicContact CB-CD1 4.03Å; A258-L631 HydrophobicContact CB-CD2 4.43Å; L259-L631 HydrophobicContact CB-CD1 4.35Å; L259-L631 HydrophobicContact CD1-CB 4.3Å; L259-L631 HydrophobicContact CD1-CD1 4.48Å; L262-L631 HydrophobicContact CD2-CD1 3.96Å; Y626-L631 HydrophobicContact CD2-CD2 4.1Å; Y626-L631 HydrophobicContact CG-CD2 4.33Å; S627-L631 PolarHBondContact O-N 3.3Å; L631-L634 PolarHBondContact O-N 2.69Å; L631-L635 WeakPolarHBondContact O-CB 3.34Å; L631-L635 PolarHBondContact O-N 2.98Å
632L90.7Very high85.6Confident22 Ų2243.8 Ų43.812%0.11524%0.243CC..Hα-helixtrans-67.9-34.3176.7-174.962.9000112.7I444 T448 L451 P628 E630 K636I444-L632 HydrophobicContact CG2-CD1 4.3Å; T448-L632 HydrophobicContact CG2-CD2 4.28Å; L451-L632 HydrophobicContact CD1-CD2 4.33Å; P628-L632 WeakPolarHBondContact O-CB 3.29Å; P628-L632 PolarHBondContact O-N 3.25Å; E630-L632 VanDerWaalsContact C-N 3.33Å; E630-L632 PolarHBondContact O-N 3.26Å; L632-K636 WeakPolarHBondContact O-CG 3.37Å; L632-K636 PolarHBondContact O-N 2.92Å; L632-K636 VanDerWaalsContact O-N 3.13Å
633A90.7Very high88.2Confident17 Ų1743.2 Ų43.214%0.1424%0.243CC..Hα-helixtrans-70.1-43.5173.700000111.7N546 V549 K629 E630 L635 K636 C637N546-A633 HydrophobicContact CB-CB 4.31Å; N546-A633 VanDerWaalsContact ND2-CB 3.27Å; N546-A633 WeakPolarHBondContact ND2-CB 3.4Å; V549-A633 HydrophobicContact CG2-CB 3.95Å; K629-A633 WeakPolarHBondContact O-CB 3.34Å; K629-A633 PolarHBondContact O-N 2.85Å; E630-A633 PolarHBondContact O-N 3.29Å; A633-L635 VanDerWaalsContact C-N 3.33Å; A633-L635 PolarHBondContact O-N 3.09Å; A633-K636 PolarHBondContact O-N 2.91Å; A633-C637 PolarHBondContact O-N 3.19Å; A633-C637 PolarHBondContact O-SG 3.39Å; A633-C637 VanDerWaalsContact O-SG 3.35Å
634L91.6Very high89.9Confident0 Ų044.4 Ų44.40%024%0.235CC..Hα-helixtrans-58.5-45173.1-177.766000111.4V255 A548 L552 I556 E630 L631 K636 C637 V638V255-L634 HydrophobicContact CG1-CD2 4.39Å; V255-L634 HydrophobicContact CG2-CD2 3.65Å; V255-L634 HydrophobicContact CG2-CG 4.23Å; A548-L634 HydrophobicContact CB-CB 4.01Å; A548-L634 HydrophobicContact CB-CD2 4.26Å; L552-L634 HydrophobicContact CB-CD1 4.17Å; L552-L634 HydrophobicContact CB-CD2 4.35Å; L552-L634 HydrophobicContact CD1-CD2 3.66Å; I556-L634 HydrophobicContact CG2-CD1 3.84Å; E630-L634 WeakPolarHBondContact O-CB 3.26Å; E630-L634 PolarHBondContact O-N 3.11Å; L631-L634 PolarHBondContact O-N 2.69Å; L634-K636 VanDerWaalsContact C-N 3.34Å; L634-K636 PolarHBondContact O-N 3.28Å; L634-C637 WeakPolarHBondContact O-CB 3.41Å; L634-C637 PolarHBondContact O-N 3.27Å; L634-C637 VanDerWaalsContact O-N 3.12Å; L634-V638 WeakPolarHBondContact O-CG2 3.4Å; L634-V638 PolarHBondContact O-N 2.77Å
635L92.4Very high91.2Very high0 Ų041.4 Ų41.40%022%0.22CC..Hα-helixtrans-60.3-42.1177.8-17559.2000112R252 V255 L256 I444 L631 A633 C637 V638 E639R252-L635 HydrophobicContact CG-CD1 4.04Å; V255-L635 HydrophobicContact CG1-CB 3.89Å; V255-L635 HydrophobicContact CG1-CD1 4.31Å; L256-L635 HydrophobicContact CD2-CD1 4.49Å; L256-L635 HydrophobicContact CD2-CD2 3.64Å; L256-L635 HydrophobicContact CG-CD1 4.11Å; L256-L635 HydrophobicContact CG-CD2 4.14Å; I444-L635 HydrophobicContact CD1-CD1 4.45Å; I444-L635 HydrophobicContact CD1-CD2 3.81Å; I444-L635 HydrophobicContact CD1-CG 3.8Å; I444-L635 HydrophobicContact CG1-CD2 3.79Å; I444-L635 HydrophobicContact CG1-CG 4.35Å; L631-L635 WeakPolarHBondContact O-CB 3.34Å; L631-L635 PolarHBondContact O-N 2.98Å; A633-L635 VanDerWaalsContact C-N 3.33Å; A633-L635 PolarHBondContact O-N 3.09Å; L635-C637 VanDerWaalsContact C-N 3.34Å; L635-C637 PolarHBondContact O-N 3.02Å; L635-V638 PolarHBondContact O-N 3.35Å; L635-E639 WeakPolarHBondContact O-CG 3.46Å; L635-E639 PolarHBondContact O-N 2.81Å
636K91.9Very high91.9Very high121 Ų12140 Ų4053%0.52622%0.215SC..Hα-helixtrans-61.4-40.2173.3-75-177.3177.1-168.20112.6L632 A633 L634 E639 A640L632-K636 WeakPolarHBondContact O-CG 3.37Å; L632-K636 PolarHBondContact O-N 2.92Å; L632-K636 VanDerWaalsContact O-N 3.13Å; A633-K636 PolarHBondContact O-N 2.91Å; L634-K636 VanDerWaalsContact C-N 3.34Å; L634-K636 PolarHBondContact O-N 3.28Å; K636-E639 PolarHBondContact O-N 2.79Å; K636-A640 WeakPolarHBondContact O-CB 3.48Å; K636-A640 PolarHBondContact O-N 3.22Å
637C91.6Very high92.3Very high17 Ų1741.4 Ų41.412%0.11523%0.232CC..Hα-helixtrans-64.8-40174.8-650000112.3I556 A633 L634 L635 E641I556-C637 HydrophobicContact CD1-CB 4.42Å; A633-C637 PolarHBondContact O-N 3.19Å; A633-C637 PolarHBondContact O-SG 3.39Å; A633-C637 VanDerWaalsContact O-SG 3.35Å; L634-C637 WeakPolarHBondContact O-CB 3.41Å; L634-C637 PolarHBondContact O-N 3.27Å; L634-C637 VanDerWaalsContact O-N 3.12Å; L635-C637 VanDerWaalsContact C-N 3.34Å; L635-C637 PolarHBondContact O-N 3.02Å; C637-E641 PolarHBondContact O-N 3.24Å
638V92.5Very high92.7Very high0 Ų040.8 Ų40.80%023%0.227CC..Hα-helixtrans-64.3-46.7175.6174.80000111.2L248 R252 I556 L634 L635 A640 E641 I642L248-V638 HydrophobicContact CD2-CG1 4.17Å; L248-V638 WeakPolarHBondContact O-CG1 3.46Å; R252-V638 HydrophobicContact CB-CG1 3.79Å; I556-V638 HydrophobicContact CB-CG2 4.11Å; I556-V638 HydrophobicContact CD1-CG2 3.81Å; I556-V638 HydrophobicContact CG1-CG2 4.41Å; I556-V638 HydrophobicContact CG2-CG2 4.14Å; L634-V638 WeakPolarHBondContact O-CG2 3.4Å; L634-V638 PolarHBondContact O-N 2.77Å; L635-V638 PolarHBondContact O-N 3.35Å; V638-A640 PolarHBondContact O-N 2.86Å; V638-E641 PolarHBondContact O-N 2.68Å; V638-I642 HydrophobicContact CG1-CD1 3.96Å; V638-I642 WeakPolarHBondContact O-CG1 3.47Å; V638-I642 PolarHBondContact O-N 2.8Å
639E93.1Very high93.2Very high43 Ų4340.3 Ų40.320%0.20122%0.222CC..Hα-helixtrans-63.6-39.4178.3-65.3-79.4-139.900112R252 I444 L635 K636 I642 A643R252-E639 WeakPolarHBondContact CD-OE2 3.32Å; R252-E639 IonicContact CZ-OE1 3.46Å; R252-E639 VanDerWaalsContact CZ-OE1 3.24Å; R252-E639 IonicContact CZ-OE2 3.24Å; R252-E639 IonicContact NE-OE1 3.33Å; R252-E639 PolarHBondContact NE-OE1 2.85Å; R252-E639 IonicContact NE-OE2 2.74Å; R252-E639 PolarHBondContact NE-OE2 3.4Å; R252-E639 IonicContact NH2-OE1 3.74Å; R252-E639 PolarHBondContact NH2-OE1 2.91Å; R252-E639 IonicContact NH2-OE2 2.73Å; I444-E639 HydrophobicContact CD1-CG 3.54Å; I444-E639 WeakPolarHBondContact CD1-OE1 3.48Å; L635-E639 WeakPolarHBondContact O-CG 3.46Å; L635-E639 PolarHBondContact O-N 2.81Å; K636-E639 PolarHBondContact O-N 2.79Å; E639-I642 PolarHBondContact O-N 3.17Å; E639-A643 PolarHBondContact O-N 2.87Å
640A93.1Very high93.7Very high45 Ų4541.1 Ų41.137%0.37223%0.225SC..Hα-helixtrans-64.4-38.4174.900000112.3K636 V638 N644K636-A640 WeakPolarHBondContact O-CB 3.48Å; K636-A640 PolarHBondContact O-N 3.22Å; V638-A640 PolarHBondContact O-N 2.86Å; A640-N644 WeakPolarHBondContact O-CB 3.44Å; A640-N644 PolarHBondContact O-N 2.75Å; A640-N644 VanDerWaalsContact O-N 3.07Å
641E93Very high94Very high15 Ų1544.1 Ų44.17%0.0724%0.239CC..Hα-helixtrans-67.7-39.5172.6-76.3-167.9-157.600112.4L248 R539 S557 C637 V638 N644 Y645L248-E641 HydrophobicContact CD1-CB 3.92Å; L248-E641 HydrophobicContact CD2-CB 3.86Å; R539-E641 IonicContact CZ-OE1 2.9Å; R539-E641 VanDerWaalsContact NH2-CG 3.33Å; R539-E641 IonicContact NH2-OE1 2.77Å; R539-E641 PolarHBondContact NH2-OE1 3Å; S557-E641 WeakPolarHBondContact CB-OE2 3.48Å; S557-E641 PolarHBondContact OG-OE2 2.78Å; C637-E641 PolarHBondContact O-N 3.24Å; V638-E641 PolarHBondContact O-N 2.68Å; E641-N644 PolarHBondContact O-N 3.24Å; E641-Y645 HydrophobicContact CB-CD2 4.5Å; E641-Y645 WeakPolarHBondContact O-CB 3.28Å; E641-Y645 VanDerWaalsContact O-CD2 3.23Å; E641-Y645 WeakPolarHBondContact O-CD2 3.48Å; E641-Y645 PolarHBondContact O-N 3.2Å
642I95.5Very high94.2Very high8 Ų844.7 Ų44.74%0.04124%0.242CC..Hα-helixtrans-58.1-53.5173.3-70.1168.4000110L245 L248 K249 R252 V638 E639 N644 Y645 E646L245-I642 HydrophobicContact CD2-CB 4.49Å; L245-I642 HydrophobicContact CD2-CG2 4.14Å; L248-I642 HydrophobicContact CB-CD1 4.2Å; L248-I642 HydrophobicContact CB-CG1 3.63Å; L248-I642 HydrophobicContact CD1-CG1 4.39Å; L248-I642 HydrophobicContact CG-CG1 4.48Å; K249-I642 HydrophobicContact CG-CD1 3.96Å; K249-I642 HydrophobicContact CG-CG1 4.43Å; R252-I642 HydrophobicContact CB-CD1 4.14Å; R252-I642 HydrophobicContact CG-CD1 4.35Å; V638-I642 HydrophobicContact CG1-CD1 3.96Å; V638-I642 WeakPolarHBondContact O-CG1 3.47Å; V638-I642 PolarHBondContact O-N 2.8Å; E639-I642 PolarHBondContact O-N 3.17Å; I642-N644 VanDerWaalsContact C-N 3.32Å; I642-N644 PolarHBondContact O-N 3.3Å; I642-Y645 PolarHBondContact O-N 2.72Å; I642-Y645 VanDerWaalsContact O-N 3.12Å; I642-E646 HydrophobicContact CG2-CG 4.16Å; I642-E646 WeakPolarHBondContact O-CB 3.33Å; I642-E646 WeakPolarHBondContact O-CG 3.24Å; I642-E646 PolarHBondContact O-N 2.86Å
643A96.1Very high94.5Very high60 Ų6046.3 Ų46.350%0.49625%0.252SS..Hα-helixtrans-57.2-43.5-179.700000112.4E639 E646 A647E639-A643 PolarHBondContact O-N 2.87Å; A643-E646 PolarHBondContact O-N 2.68Å; A643-A647 WeakPolarHBondContact O-CB 3.27Å; A643-A647 PolarHBondContact O-N 2.94Å
644N94.7Very high94.8Very high82 Ų8251.3 Ų51.344%0.43927%0.273SS..Hα-helixtrans-63.2-43.3175.6171.984.3000112.7A640 E641 I642 C648A640-N644 WeakPolarHBondContact O-CB 3.44Å; A640-N644 PolarHBondContact O-N 2.75Å; A640-N644 VanDerWaalsContact O-N 3.07Å; E641-N644 PolarHBondContact O-N 3.24Å; I642-N644 VanDerWaalsContact C-N 3.32Å; I642-N644 PolarHBondContact O-N 3.3Å; N644-C648 PolarHBondContact O-N 2.88Å; N644-C648 PolarHBondContact O-SG 2.96Å
645Y95.1Very high95Very high43 Ų4354.2 Ų54.217%0.16929%0.286CS..Hα-helixtrans-73.6-30.6178.7-83.1-66.5000113Y241 R244 L248 E641 I642 C648 L649Y241-Y645 AromaticContact CD1-CD1 3.54Å; Y241-Y645 HydrophobicContact CD1-CD1 3.54Å; Y241-Y645 AromaticContact CD1-CE1 3.75Å; Y241-Y645 HydrophobicContact CD1-CE1 3.75Å; Y241-Y645 HydrophobicContact CE1-CD1 4.12Å; Y241-Y645 HydrophobicContact CE1-CE1 4.08Å; Y241-Y645 HydrophobicContact CG-CD1 4.34Å; R244-Y645 HydrophobicContact CB-CD1 4.28Å; R244-Y645 HydrophobicContact CB-CE1 4.1Å; R244-Y645 HydrophobicContact CB-CE2 4.35Å; R244-Y645 HydrophobicContact CB-CG 4.48Å; R244-Y645 HydrophobicContact CG-CE1 4.29Å; L248-Y645 HydrophobicContact CD1-CD2 3.4Å; L248-Y645 HydrophobicContact CD1-CE2 3.83Å; L248-Y645 HydrophobicContact CD1-CG 4.38Å; E641-Y645 HydrophobicContact CB-CD2 4.5Å; E641-Y645 WeakPolarHBondContact O-CB 3.28Å; E641-Y645 VanDerWaalsContact O-CD2 3.23Å; E641-Y645 WeakPolarHBondContact O-CD2 3.48Å; E641-Y645 PolarHBondContact O-N 3.2Å; I642-Y645 PolarHBondContact O-N 2.72Å; I642-Y645 VanDerWaalsContact O-N 3.12Å; Y645-C648 PolarHBondContact O-N 3.31Å; Y645-L649 WeakPolarHBondContact O-CB 3.35Å; Y645-L649 PolarHBondContact O-N 3.4Å
646E97.4Very high95.2Very high87 Ų8754.6 Ų54.641%0.40729%0.287SS..Hα-helixtrans-68.1-40.1172.6-71.7-172.4152.100111.5L245 K249 I642 A643 L649 K650L245-E646 HydrophobicContact CD1-CG 3.84Å; L245-E646 HydrophobicContact CD2-CG 3.59Å; L245-E646 HydrophobicContact CG-CG 4.38Å; K249-E646 VanDerWaalsContact CE-OE1 3.23Å; K249-E646 WeakPolarHBondContact CE-OE1 3.38Å; K249-E646 IonicContact NZ-OE1 3.69Å; K249-E646 PolarHBondContact NZ-OE1 3.42Å; I642-E646 HydrophobicContact CG2-CG 4.16Å; I642-E646 WeakPolarHBondContact O-CB 3.33Å; I642-E646 WeakPolarHBondContact O-CG 3.24Å; I642-E646 PolarHBondContact O-N 2.86Å; A643-E646 PolarHBondContact O-N 2.68Å; E646-L649 PolarHBondContact O-N 2.86Å; E646-K650 WeakPolarHBondContact O-CB 3.44Å; E646-K650 PolarHBondContact O-N 3.2Å
647A96.9Very high95.4Very high52 Ų5255.4 Ų55.443%0.4329%0.291SS..Hα-helixtrans-61-49170.800000111.7A643 L649 K650 E651A643-A647 WeakPolarHBondContact O-CB 3.27Å; A643-A647 PolarHBondContact O-N 2.94Å; A647-L649 VanDerWaalsContact C-N 3.33Å; A647-L649 PolarHBondContact O-N 3.02Å; A647-K650 WeakPolarHBondContact O-CB 3.21Å; A647-K650 PolarHBondContact O-N 3.33Å; A647-K650 VanDerWaalsContact O-N 3.16Å; A647-E651 PolarHBondContact O-N 3.26Å
648C95.5Very high95.7Very high31 Ų3160.6 Ų60.621%0.20931%0.311CS..Hα-helixtrans-60.5-38.9177.6-68.10000112.8Y241 N644 Y645 E652Y241-C648 HydrophobicContact CD1-CB 4.31Å; Y241-C648 HydrophobicContact CD2-CB 3.93Å; Y241-C648 HydrophobicContact CE1-CB 4.05Å; Y241-C648 HydrophobicContact CE2-CB 3.67Å; Y241-C648 HydrophobicContact CG-CB 4.25Å; N644-C648 PolarHBondContact O-N 2.88Å; N644-C648 PolarHBondContact O-SG 2.96Å; Y645-C648 PolarHBondContact O-N 3.31Å; C648-E652 PolarHBondContact O-N 2.96Å
649L97.1Very high95.9Very high30 Ų3061.9 Ų61.916%0.15732%0.317CS..Hα-helixtrans-67.2-41.7175.1-179.958.2000111.4R238 E242 L245 Y645 E646 A647 E651 E652 V653R238-L649 HydrophobicContact CB-CD1 3.88Å; R238-L649 HydrophobicContact CG-CD1 4.33Å; E242-L649 HydrophobicContact CG-CD1 3.9Å; E242-L649 HydrophobicContact CG-CD2 3.71Å; E242-L649 HydrophobicContact CG-CG 4.5Å; L245-L649 HydrophobicContact CD1-CB 4.34Å; L245-L649 HydrophobicContact CD1-CD2 3.75Å; Y645-L649 WeakPolarHBondContact O-CB 3.35Å; Y645-L649 PolarHBondContact O-N 3.4Å; E646-L649 PolarHBondContact O-N 2.86Å; A647-L649 VanDerWaalsContact C-N 3.33Å; A647-L649 PolarHBondContact O-N 3.02Å; L649-E651 PolarHBondContact O-N 3.19Å; L649-E652 PolarHBondContact O-N 3.05Å; L649-V653 HydrophobicContact CD1-CG2 3.98Å; L649-V653 HydrophobicContact CG-CG2 4.35Å; L649-V653 WeakPolarHBondContact O-CB 3.42Å; L649-V653 VanDerWaalsContact O-CG2 3.27Å; L649-V653 WeakPolarHBondContact O-CG2 3.25Å; L649-V653 PolarHBondContact O-N 3.23Å
650K97.4Very high96.1Very high144 Ų14464.2 Ų64.263%0.62633%0.326SS*.Hα-helixtrans-58.7-46.2175.1-173.6-178.8176-177.20111.3E646 A647 V653 E654E646-K650 WeakPolarHBondContact O-CB 3.44Å; E646-K650 PolarHBondContact O-N 3.2Å; A647-K650 WeakPolarHBondContact O-CB 3.21Å; A647-K650 PolarHBondContact O-N 3.33Å; A647-K650 VanDerWaalsContact O-N 3.16Å; K650-V653 PolarHBondContact O-N 2.94Å; K650-E654 WeakPolarHBondContact O-CB 3.42Å; K650-E654 PolarHBondContact O-N 3.12Å
651E96.2Very high96.2Very high104 Ų10465.2 Ų65.249%0.48633%0.325SS..Hα-helixtrans-59.5-47.9177.7-72.1-170.6174.900112.4S527 A647 L649 V653 E654 K655S527-E651 WeakPolarHBondContact CB-OE1 3.43Å; A647-E651 PolarHBondContact O-N 3.26Å; L649-E651 PolarHBondContact O-N 3.19Å; E651-V653 PolarHBondContact O-N 3.34Å; E651-E654 PolarHBondContact O-N 3.44Å; E651-K655 WeakPolarHBondContact O-CB 3.33Å; E651-K655 PolarHBondContact O-N 2.86Å
652E95.9Very high96.3Very high17 Ų1766.8 Ų66.88%0.07933%0.334CS..Hα-helixtrans-70.1-30.4178.7-72.8-72.5147.100113.1Q28 R237 R238 Y241 C648 L649 K655 R656Q28-E652 PolarHBondContact NE2-OE2 2.87Å; Q28-E652 VanDerWaalsContact NE2-OE2 3.08Å; R237-E652 HydrophobicContact CB-CG 3.84Å; R237-E652 VanDerWaalsContact CD-OE1 3.3Å; R237-E652 WeakPolarHBondContact CD-OE1 3.3Å; R237-E652 IonicContact NE-OE1 3.87Å; R237-E652 IonicContact NH1-OE1 3.93Å; R238-E652 HydrophobicContact CG-CB 4.02Å; Y241-E652 HydrophobicContact CD2-CG 4.41Å; Y241-E652 HydrophobicContact CE2-CG 3.84Å; C648-E652 PolarHBondContact O-N 2.96Å; L649-E652 PolarHBondContact O-N 3.05Å; E652-K655 IonicContact OE1-NZ 3.62Å; E652-K655 PolarHBondContact OE1-NZ 2.83Å; E652-K655 IonicContact OE2-NZ 3.41Å; E652-K655 PolarHBondContact OE2-NZ 3.02Å; E652-R656 WeakPolarHBondContact O-CB 3.47Å; E652-R656 PolarHBondContact O-N 2.92Å
653V97.1Very high96.2Very high56 Ų5667.2 Ų67.234%0.33934%0.336SS..Hα-helixtrans-69.8-43172.7167.90000111.2R238 L649 K650 E651 R656 K657R238-V653 HydrophobicContact CG-CG2 4.31Å; L649-V653 HydrophobicContact CD1-CG2 3.98Å; L649-V653 HydrophobicContact CG-CG2 4.35Å; L649-V653 WeakPolarHBondContact O-CB 3.42Å; L649-V653 VanDerWaalsContact O-CG2 3.27Å; L649-V653 WeakPolarHBondContact O-CG2 3.25Å; L649-V653 PolarHBondContact O-N 3.23Å; K650-V653 PolarHBondContact O-N 2.94Å; E651-V653 PolarHBondContact O-N 3.34Å; V653-R656 PolarHBondContact O-N 3.3Å; V653-K657 PolarHBondContact O-N 2.67Å
654E97Very high96.1Very high122 Ų12270.5 Ų70.557%0.5734%0.341SS*.Hα-helixtrans-65.8-41.5176.4-171171.8166.500111.6K650 E651 R656 K657 K658K650-E654 WeakPolarHBondContact O-CB 3.42Å; K650-E654 PolarHBondContact O-N 3.12Å; E651-E654 PolarHBondContact O-N 3.44Å; E654-R656 PolarHBondContact O-N 2.86Å; E654-K657 WeakPolarHBondContact O-CB 3.4Å; E654-K657 PolarHBondContact O-N 3.14Å; E654-K658 PolarHBondContact O-N 2.72Å
655K95.8Very high96Very high62 Ų6272 Ų7227%0.2734%0.341SS..Hα-helixtrans-55.8-44.6169.2175.8-174169.8-1580112.1E30 E651 E652 K658 F659E30-K655 IonicContact OE1-NZ 2.69Å; E651-K655 WeakPolarHBondContact O-CB 3.33Å; E651-K655 PolarHBondContact O-N 2.86Å; E652-K655 IonicContact OE1-NZ 3.62Å; E652-K655 PolarHBondContact OE1-NZ 2.83Å; E652-K655 IonicContact OE2-NZ 3.41Å; E652-K655 PolarHBondContact OE2-NZ 3.02Å; K655-K658 WeakPolarHBondContact O-CB 3.31Å; K655-K658 PolarHBondContact O-N 2.9Å; K655-F659 HydrophobicContact CD-CZ 4.41Å; K655-F659 HydrophobicContact CG-CE1 4.17Å; K655-F659 HydrophobicContact CG-CE2 4.09Å; K655-F659 HydrophobicContact CG-CZ 3.78Å; K655-F659 WeakPolarHBondContact O-CG 3.28Å; K655-F659 PolarHBondContact O-N 3.02Å
656R96.2Very high95.9Very high8 Ų871.4 Ų71.43%0.0334%0.338CS..Hα-helixtrans-67.1-36.1175.5-167.36958.41192.4112.5T16 E20 D236 R238 E652 V653 E654 K660T16-R656 VanDerWaalsContact CG2-NH1 3.29Å; E20-R656 IonicContact OE1-CZ 2.6Å; E20-R656 IonicContact OE1-NH1 3.96Å; E20-R656 PolarHBondContact OE1-NH1 3.21Å; D236-R656 IonicContact OD1-NH2 2.9Å; D236-R656 IonicContact OD2-CZ 2.76Å; D236-R656 IonicContact OD2-NH1 3.71Å; D236-R656 PolarHBondContact OD2-NH1 3.41Å; D236-R656 IonicContact OD2-NH2 2.64Å; D236-R656 PolarHBondContact OD2-NH2 2.86Å; R238-R656 VanDerWaalsContact NH2-CZ 3.3Å; E652-R656 WeakPolarHBondContact O-CB 3.47Å; E652-R656 PolarHBondContact O-N 2.92Å; V653-R656 PolarHBondContact O-N 3.3Å; E654-R656 PolarHBondContact O-N 2.86Å; R656-K660 PolarHBondContact O-N 3.35Å
657K97.1Very high95.5Very high138 Ų13869 Ų6960%0.633%0.33SS*.Hα-helixtrans-61.8-47.4170.5-72.4-177.3176.7-171.60110.9V653 E654 F659 K660 I661V653-K657 PolarHBondContact O-N 2.67Å; E654-K657 WeakPolarHBondContact O-CB 3.4Å; E654-K657 PolarHBondContact O-N 3.14Å; K657-F659 PolarHBondContact O-N 3.23Å; K657-K660 PolarHBondContact O-N 2.7Å; K657-K660 VanDerWaalsContact O-N 3.15Å; K657-I661 WeakPolarHBondContact O-CG1 3.38Å; K657-I661 PolarHBondContact O-N 3.02Å; K657-I661 VanDerWaalsContact O-N 3.11Å
658K97Very high95.2Very high126 Ų12671.7 Ų71.755%0.54833%0.333SS..Hα-helixtrans-56.4-46.6177.2-177.2-171.1167.5-170.10111.6E654 K655 K660 I661 D662E654-K658 PolarHBondContact O-N 2.72Å; K655-K658 WeakPolarHBondContact O-CB 3.31Å; K655-K658 PolarHBondContact O-N 2.9Å; K658-K660 VanDerWaalsContact C-N 3.29Å; K658-K660 PolarHBondContact O-N 2.82Å; K658-I661 PolarHBondContact O-N 3.16Å; K658-I661 VanDerWaalsContact O-N 3.09Å; K658-D662 WeakPolarHBondContact CE-OD2 3.48Å; K658-D662 WeakPolarHBondContact CG-OD2 3.23Å; K658-D662 PolarHBondContact O-N 2.91Å
659F96.5Very high94.9Very high27 Ų2771.6 Ų71.612%0.11833%0.33CS..Hα-helixtrans-54.5-43.4177.1-66-20.6000112.3G13 L17 K655 K657 D662 D663G13-F659 VanDerWaalsContact CA-CG 3.49Å; L17-F659 HydrophobicContact CD1-CB 4.37Å; K655-F659 HydrophobicContact CD-CZ 4.41Å; K655-F659 HydrophobicContact CG-CE1 4.17Å; K655-F659 HydrophobicContact CG-CE2 4.09Å; K655-F659 HydrophobicContact CG-CZ 3.78Å; K655-F659 WeakPolarHBondContact O-CG 3.28Å; K655-F659 PolarHBondContact O-N 3.02Å; K657-F659 PolarHBondContact O-N 3.23Å; F659-D662 PolarHBondContact O-N 3.39Å; F659-D663 WeakPolarHBondContact O-CB 3.31Å; F659-D663 PolarHBondContact O-N 3.22Å
660K96.7Very high94.5Very high92 Ų9275.2 Ų75.240%0.434%0.342SS..Hα-helixtrans-68.2-34.8178-61.9-169.2-171.9-139.90112.6L17 E20 R656 K657 K658 Q664L17-K660 HydrophobicContact CD1-CG 4.17Å; L17-K660 HydrophobicContact CD2-CD 4.18Å; L17-K660 HydrophobicContact CD2-CG 3.61Å; E20-K660 WeakPolarHBondContact OE2-CE 3.15Å; E20-K660 IonicContact OE2-NZ 3.82Å; E20-K660 PolarHBondContact OE2-NZ 2.92Å; R656-K660 PolarHBondContact O-N 3.35Å; K657-K660 PolarHBondContact O-N 2.7Å; K657-K660 VanDerWaalsContact O-N 3.15Å; K658-K660 VanDerWaalsContact C-N 3.29Å; K658-K660 PolarHBondContact O-N 2.82Å; K660-Q664 WeakPolarHBondContact O-CB 3.28Å; K660-Q664 WeakPolarHBondContact O-CG 3.39Å; K660-Q664 PolarHBondContact O-N 2.93Å
661I96.3Very high94Very high66 Ų6671.6 Ų71.634%0.33833%0.33SS..Hα-helixtrans-69.4-44.9175.6-66.8166.6000111.3K657 K658 Q664 R665K657-I661 WeakPolarHBondContact O-CG1 3.38Å; K657-I661 PolarHBondContact O-N 3.02Å; K657-I661 VanDerWaalsContact O-N 3.11Å; K658-I661 PolarHBondContact O-N 3.16Å; K658-I661 VanDerWaalsContact O-N 3.09Å; I661-Q664 PolarHBondContact O-N 2.74Å; I661-R665 WeakPolarHBondContact O-CD 3.18Å; I661-R665 VanDerWaalsContact O-CG 3.24Å; I661-R665 WeakPolarHBondContact O-CG 3.42Å; I661-R665 PolarHBondContact O-N 2.74Å
662D94.8Very high93.7Very high48 Ų4871.9 Ų71.926%0.25733%0.332SS..Hα-helixtrans-71.8-32-179.9-71.9-23.4000111.8K658 F659 R665 R666K658-D662 WeakPolarHBondContact CE-OD2 3.48Å; K658-D662 WeakPolarHBondContact CG-OD2 3.23Å; K658-D662 PolarHBondContact O-N 2.91Å; F659-D662 PolarHBondContact O-N 3.39Å; D662-R665 PolarHBondContact O-N 2.8Å; D662-R665 IonicContact OD1-CZ 3.63Å; D662-R665 IonicContact OD1-NH1 2.75Å; D662-R665 PolarHBondContact OD1-NH1 3.48Å; D662-R666 WeakPolarHBondContact O-CB 3.28Å; D662-R666 PolarHBondContact O-N 2.77Å
663D94.6Very high93.5Very high17 Ų1777.4 Ų77.49%0.09136%0.356CS..Hα-helixtrans-66-45.1169.4-170.563.3000112.9L17 H144 F659 R665 R666 T667L17-D663 HydrophobicContact CD1-CB 3.59Å; H144-D663 IonicContact CE1-OD2 3.64Å; H144-D663 PolarHBondContact CE1-OD2 3.37Å; H144-D663 IonicContact CG-OD1 3.17Å; H144-D663 IonicContact ND1-OD1 3.79Å; H144-D663 PolarHBondContact ND1-OD1 2.86Å; H144-D663 IonicContact ND1-OD2 3.67Å; H144-D663 PolarHBondContact ND1-OD2 3.35Å; F659-D663 WeakPolarHBondContact O-CB 3.31Å; F659-D663 PolarHBondContact O-N 3.22Å; D663-R665 VanDerWaalsContact C-N 3.3Å; D663-R665 PolarHBondContact O-N 3.34Å; D663-R666 WeakPolarHBondContact O-CB 3.07Å; D663-R666 PolarHBondContact O-N 2.74Å; D663-R666 VanDerWaalsContact O-N 3.08Å; D663-R666 IonicContact OD1-NE 3.39Å; D663-R666 IonicContact OD1-NH2 3.23Å; D663-T667 WeakPolarHBondContact O-CB 3.3Å; D663-T667 VanDerWaalsContact O-CG2 3.3Å; D663-T667 WeakPolarHBondContact O-CG2 3.43Å; D663-T667 PolarHBondContact O-N 3.19Å; D663-T667 PolarHBondContact O-OG1 3.06Å
664Q93.5Very high93.2Very high128 Ų12878.4 Ų78.460%0.59836%0.358SS*.Hα-helixtrans-57.6-42171.5-77171.5-4.100111.9K660 I661 R666 T667 H668K660-Q664 WeakPolarHBondContact O-CB 3.28Å; K660-Q664 WeakPolarHBondContact O-CG 3.39Å; K660-Q664 PolarHBondContact O-N 2.93Å; I661-Q664 PolarHBondContact O-N 2.74Å; Q664-R666 VanDerWaalsContact C-N 3.3Å; Q664-R666 PolarHBondContact O-N 2.87Å; Q664-T667 PolarHBondContact O-N 2.94Å; Q664-T667 PolarHBondContact O-OG1 3.29Å; Q664-H668 WeakPolarHBondContact O-CB 3.28Å; Q664-H668 PolarHBondContact O-N 2.95Å
665R92.5Very high92.9Very high115 Ų11576.3 Ų76.343%0.43436%0.356SS..Hα-helixtrans-65.3-30.1175.2-71.1161.7172.9175.4-4.2113.3I661 D662 D663 Y670I661-R665 WeakPolarHBondContact O-CD 3.18Å; I661-R665 VanDerWaalsContact O-CG 3.24Å; I661-R665 WeakPolarHBondContact O-CG 3.42Å; I661-R665 PolarHBondContact O-N 2.74Å; D662-R665 PolarHBondContact O-N 2.8Å; D662-R665 IonicContact OD1-CZ 3.63Å; D662-R665 IonicContact OD1-NH1 2.75Å; D662-R665 PolarHBondContact OD1-NH1 3.48Å; D663-R665 VanDerWaalsContact C-N 3.3Å; D663-R665 PolarHBondContact O-N 3.34Å; R665-Y670 WeakPolarHBondContact O-CE2 3.37Å
666R91.6Very high92.8Very high30 Ų3077.3 Ų77.311%0.11337%0.367CS..Hα-helixtrans-77.4-37.3178.9-163-159.2-34.4-98.91.7112.2E9 D11 R146 D662 D663 Q664E9-R666 VanDerWaalsContact OE2-CD 3.31Å; E9-R666 WeakPolarHBondContact OE2-CD 3.4Å; E9-R666 IonicContact OE2-CZ 2.74Å; E9-R666 IonicContact OE2-NE 2.88Å; E9-R666 IonicContact OE2-NH1 3.62Å; E9-R666 PolarHBondContact OE2-NH1 3.22Å; D11-R666 IonicContact OD2-CZ 3.14Å; D11-R666 IonicContact OD2-NH1 2.68Å; D11-R666 PolarHBondContact OD2-NH1 3.23Å; D11-R666 IonicContact OD2-NH2 2.72Å; D11-R666 PolarHBondContact OD2-NH2 3.03Å; R146-R666 HydrophobicContact CG-CG 4.16Å; D662-R666 WeakPolarHBondContact O-CB 3.28Å; D662-R666 PolarHBondContact O-N 2.77Å; D663-R666 WeakPolarHBondContact O-CB 3.07Å; D663-R666 PolarHBondContact O-N 2.74Å; D663-R666 VanDerWaalsContact O-N 3.08Å; D663-R666 IonicContact OD1-NE 3.39Å; D663-R666 IonicContact OD1-NH2 3.23Å; Q664-R666 VanDerWaalsContact C-N 3.3Å; Q664-R666 PolarHBondContact O-N 2.87Å
667T91.1Very high92.7Very high37 Ų3782.1 Ų82.123%0.22739%0.389CS..Hα-helixtrans-95.4-17.8-171.856.50000113.4S143 P147 D663 Q664S143-T667 WeakPolarHBondContact O-CG2 3.39Å; P147-T667 WeakPolarHBondContact CD-O 3.49Å; P147-T667 WeakPolarHBondContact CG-O 3.49Å; D663-T667 WeakPolarHBondContact O-CB 3.3Å; D663-T667 VanDerWaalsContact O-CG2 3.3Å; D663-T667 WeakPolarHBondContact O-CG2 3.43Å; D663-T667 PolarHBondContact O-N 3.19Å; D663-T667 PolarHBondContact O-OG1 3.06Å; Q664-T667 PolarHBondContact O-N 2.94Å; Q664-T667 PolarHBondContact O-OG1 3.29Å
668H90.2Very high92.5Very high107 Ų10779.2 Ų79.250%0.49538%0.379SS..SBendtrans-67.8132.4178.8-176.281.7000112.9Q664 Y670Q664-H668 WeakPolarHBondContact O-CB 3.28Å; Q664-H668 PolarHBondContact O-N 2.95Å; H668-Y670 HydrophobicContact CB-CE2 4.25Å; H668-Y670 AromaticContact CD2-CD1 3.7Å; H668-Y670 AromaticContact CD2-CE1 3.65Å; H668-Y670 AromaticContact CD2-CG 3.94Å; H668-Y670 AromaticContact CD2-CZ 3.85Å; H668-Y670 WeakPolarHBondContact O-CD2 3.17Å; H668-Y670 PolarHBondContact O-N 3.48Å
669N88.4Confident92.3Very high29 Ų2976.3 Ų76.316%0.15537%0.374CS..  trans-82.496.4176.3-177.929000111.9P147 R150 D671 E672P147-N669 HydrophobicContact CG-CB 4.31Å; R150-N669 PolarHBondContact NH2-ND2 3.25Å; N669-D671 PolarHBondContact O-N 2.75Å; N669-D671 VanDerWaalsContact OD1-CB 3.31Å; N669-D671 WeakPolarHBondContact OD1-CB 3.44Å; N669-D671 PolarHBondContact OD1-N 2.86Å; N669-E672 PolarHBondContact ND2-OE1 3.34Å
670Y89.9Confident92.1Very high106 Ų10680.1 Ų80.142%0.41639%0.394SS..THydrogen-bonded Turntrans-71.2-11.6176.5-64.2-82.8000114.5R665 H668 E672 F673 I674R665-Y670 WeakPolarHBondContact O-CE2 3.37Å; H668-Y670 HydrophobicContact CB-CE2 4.25Å; H668-Y670 AromaticContact CD2-CD1 3.7Å; H668-Y670 AromaticContact CD2-CE1 3.65Å; H668-Y670 AromaticContact CD2-CG 3.94Å; H668-Y670 AromaticContact CD2-CZ 3.85Å; H668-Y670 WeakPolarHBondContact O-CD2 3.17Å; H668-Y670 PolarHBondContact O-N 3.48Å; Y670-E672 VanDerWaalsContact C-N 3.28Å; Y670-E672 PolarHBondContact O-N 2.99Å; Y670-F673 PolarHBondContact O-N 3.42Å; Y670-F673 VanDerWaalsContact O-N 3.15Å; Y670-I674 WeakPolarHBondContact O-CB 3.4Å; Y670-I674 VanDerWaalsContact O-CG1 3.28Å; Y670-I674 WeakPolarHBondContact O-CG1 3.4Å; Y670-I674 PolarHBondContact O-N 3.08Å
671D86.9Confident92Very high68 Ų6876.8 Ų76.836%0.36438%0.38SS..Hα-helixtrans-54.7-42.1-175.4-73.8-8.9000112.5N669 I674 C675N669-D671 PolarHBondContact O-N 2.75Å; N669-D671 VanDerWaalsContact OD1-CB 3.31Å; N669-D671 WeakPolarHBondContact OD1-CB 3.44Å; N669-D671 PolarHBondContact OD1-N 2.86Å; D671-I674 PolarHBondContact O-N 3.21Å; D671-C675 VanDerWaalsContact O-CB 3.29Å; D671-C675 WeakPolarHBondContact O-CB 3.15Å; D671-C675 PolarHBondContact O-N 2.82Å; D671-C675 PolarHBondContact O-SG 2.68Å
672E88.1Confident91.8Very high111 Ų11176.2 Ų76.252%0.51939%0.386SS..Hα-helixtrans-67.8-38.8-177.3-69.1163.8-145.400111.4R150 N669 Y670 T676R150-E672 IonicContact CZ-OE1 3.2Å; R150-E672 IonicContact NH1-OE1 3.85Å; R150-E672 PolarHBondContact NH1-OE1 3.25Å; R150-E672 IonicContact NH2-OE1 2.72Å; R150-E672 PolarHBondContact NH2-OE1 2.94Å; N669-E672 PolarHBondContact ND2-OE1 3.34Å; Y670-E672 VanDerWaalsContact C-N 3.28Å; Y670-E672 PolarHBondContact O-N 2.99Å; E672-T676 WeakPolarHBondContact O-CB 3.45Å; E672-T676 PolarHBondContact O-N 2.98Å; E672-T676 VanDerWaalsContact O-N 3.15Å; E672-T676 PolarHBondContact O-OG1 2.7Å
673F91.4Very high91.7Very high133 Ų13381.7 Ų81.758%0.58341%0.409SS*.Hα-helixtrans-67.1-45.4171.7170.6-100.2000111.9Y670 T676 F677Y670-F673 PolarHBondContact O-N 3.42Å; Y670-F673 VanDerWaalsContact O-N 3.15Å; F673-T676 PolarHBondContact O-N 2.79Å; F673-F677 WeakPolarHBondContact O-CB 3.07Å; F673-F677 PolarHBondContact O-N 3.11Å
674I91Very high91.6Very high77 Ų7787.5 Ų87.540%0.39544%0.436SS..Hα-helixtrans-63.8-46.8-178.5-69.7165.9000110.8Y670 D671 T676 F677 I678Y670-I674 WeakPolarHBondContact O-CB 3.4Å; Y670-I674 VanDerWaalsContact O-CG1 3.28Å; Y670-I674 WeakPolarHBondContact O-CG1 3.4Å; Y670-I674 PolarHBondContact O-N 3.08Å; D671-I674 PolarHBondContact O-N 3.21Å; I674-T676 PolarHBondContact O-N 3.3Å; I674-F677 PolarHBondContact O-N 3.39Å; I674-I678 HydrophobicContact CG2-CD1 3.68Å; I674-I678 HydrophobicContact CG2-CG1 4.44Å; I674-I678 WeakPolarHBondContact O-CB 3.01Å; I674-I678 VanDerWaalsContact O-CG1 3.28Å; I674-I678 WeakPolarHBondContact O-CG1 3.25Å; I674-I678 PolarHBondContact O-N 3.15Å
675C91.5Very high91.5Very high78 Ų7883.4 Ų83.453%0.52743%0.429SS..Hα-helixtrans-62.3-41.4176.7-73.80000111.9D671 S679D671-C675 VanDerWaalsContact O-CB 3.29Å; D671-C675 WeakPolarHBondContact O-CB 3.15Å; D671-C675 PolarHBondContact O-N 2.82Å; D671-C675 PolarHBondContact O-SG 2.68Å; C675-S679 WeakPolarHBondContact O-CB 3.46Å; C675-S679 PolarHBondContact O-N 3.11Å; C675-S679 PolarHBondContact O-OG 3.43Å
676T93.2Very high91.3Very high82 Ų8282.1 Ų82.150%0.50343%0.428SS..Hα-helixtrans-63-48.5175-570000111.1E672 F673 I674 I678 S679 M680E672-T676 WeakPolarHBondContact O-CB 3.45Å; E672-T676 PolarHBondContact O-N 2.98Å; E672-T676 VanDerWaalsContact O-N 3.15Å; E672-T676 PolarHBondContact O-OG1 2.7Å; F673-T676 PolarHBondContact O-N 2.79Å; I674-T676 PolarHBondContact O-N 3.3Å; T676-I678 PolarHBondContact O-N 3.29Å; T676-S679 WeakPolarHBondContact O-CB 3.43Å; T676-S679 PolarHBondContact O-N 3.1Å; T676-M680 HydrophobicContact CG2-SD 4.35Å; T676-M680 WeakPolarHBondContact O-CG 3.45Å; T676-M680 PolarHBondContact O-N 3.19Å
677F93.8Very high91.1Very high109 Ų10983 Ų8348%0.47844%0.435SS..Hα-helixtrans-62.2-43.8179.8179.3-110.5000112.7F673 I674 S679 M680 L681F673-F677 WeakPolarHBondContact O-CB 3.07Å; F673-F677 PolarHBondContact O-N 3.11Å; I674-F677 PolarHBondContact O-N 3.39Å; F677-S679 VanDerWaalsContact C-N 3.32Å; F677-S679 PolarHBondContact O-N 2.97Å; F677-M680 PolarHBondContact O-N 3.03Å; F677-L681 HydrophobicContact CD1-CD1 4.04Å; F677-L681 HydrophobicContact CE1-CD1 3.54Å; F677-L681 HydrophobicContact CE1-CG 4.3Å; F677-L681 HydrophobicContact CE2-CD1 4.48Å; F677-L681 HydrophobicContact CE2-CG 4.42Å; F677-L681 HydrophobicContact CZ-CD1 3.79Å; F677-L681 HydrophobicContact CZ-CD2 4.41Å; F677-L681 HydrophobicContact CZ-CG 4.19Å; F677-L681 WeakPolarHBondContact O-CG 3.3Å; F677-L681 PolarHBondContact O-N 2.82Å
678I93.3Very high90.8Very high78 Ų7884.5 Ų84.540%0.445%0.451SS..Hα-helixtrans-63.8-38.9175.1-68.8170.2000110.9I674 T676 L681 A682 L687I674-I678 HydrophobicContact CG2-CD1 3.68Å; I674-I678 HydrophobicContact CG2-CG1 4.44Å; I674-I678 WeakPolarHBondContact O-CB 3.01Å; I674-I678 VanDerWaalsContact O-CG1 3.28Å; I674-I678 WeakPolarHBondContact O-CG1 3.25Å; I674-I678 PolarHBondContact O-N 3.15Å; T676-I678 PolarHBondContact O-N 3.29Å; I678-L681 PolarHBondContact O-N 3.03Å; I678-A682 PolarHBondContact O-N 2.96Å; I678-L687 HydrophobicContact CG2-CD1 4.42Å; I678-L687 HydrophobicContact CG2-CD2 3.94Å
679S92.7Very high90.6Very high64 Ų6484 Ų8445%0.44845%0.453SS..Hα-helixtrans-64.5-42.5176.8-58.80000111.9C675 T676 F677 A682 Q683C675-S679 WeakPolarHBondContact O-CB 3.46Å; C675-S679 PolarHBondContact O-N 3.11Å; C675-S679 PolarHBondContact O-OG 3.43Å; T676-S679 WeakPolarHBondContact O-CB 3.43Å; T676-S679 PolarHBondContact O-N 3.1Å; F677-S679 VanDerWaalsContact C-N 3.32Å; F677-S679 PolarHBondContact O-N 2.97Å; S679-A682 WeakPolarHBondContact O-CB 3.31Å; S679-A682 PolarHBondContact O-N 3.07Å; S679-Q683 WeakPolarHBondContact O-CG 3.23Å; S679-Q683 PolarHBondContact O-N 3.27Å
680M93.6Very high90.5Very high108 Ų10886 Ų8653%0.53246%0.463SS..Hα-helixtrans-64.2-43.5174-68.117972.800111.9T676 F677 A682 Q683 E684T676-M680 HydrophobicContact CG2-SD 4.35Å; T676-M680 WeakPolarHBondContact O-CG 3.45Å; T676-M680 PolarHBondContact O-N 3.19Å; F677-M680 PolarHBondContact O-N 3.03Å; M680-A682 PolarHBondContact O-N 3.3Å; M680-Q683 PolarHBondContact O-N 3.13Å; M680-E684 WeakPolarHBondContact O-CG 3.32Å; M680-E684 PolarHBondContact O-N 2.68Å
681L93.8Very high90.3Very high22 Ų2284.5 Ų84.512%0.11546%0.464CS..Hα-helixtrans-60.8-31.1174.2-72.9178.4000112.7F677 I678 M686 L687 L690F677-L681 HydrophobicContact CD1-CD1 4.04Å; F677-L681 HydrophobicContact CE1-CD1 3.54Å; F677-L681 HydrophobicContact CE1-CG 4.3Å; F677-L681 HydrophobicContact CE2-CD1 4.48Å; F677-L681 HydrophobicContact CE2-CG 4.42Å; F677-L681 HydrophobicContact CZ-CD1 3.79Å; F677-L681 HydrophobicContact CZ-CD2 4.41Å; F677-L681 HydrophobicContact CZ-CG 4.19Å; F677-L681 WeakPolarHBondContact O-CG 3.3Å; F677-L681 PolarHBondContact O-N 2.82Å; I678-L681 PolarHBondContact O-N 3.03Å; L681-M686 HydrophobicContact CD2-CB 4.16Å; L681-M686 HydrophobicContact CD2-CE 4.02Å; L681-M686 PolarHBondContact O-N 3.01Å; L681-L687 HydrophobicContact CB-CB 4.02Å; L681-L687 HydrophobicContact CB-CD1 4.37Å; L681-L687 WeakPolarHBondContact O-CB 3.41Å; L681-L687 PolarHBondContact O-N 3.44Å; L681-L690 HydrophobicContact CD1-CD2 4.28Å
682A93Very high90.2Very high54 Ų5487.5 Ų87.545%0.44648%0.476SS..Hα-helixtrans-72.6-43.7174.600000111.9I678 S679 M680 G685 L687I678-A682 PolarHBondContact O-N 2.96Å; S679-A682 WeakPolarHBondContact O-CB 3.31Å; S679-A682 PolarHBondContact O-N 3.07Å; M680-A682 PolarHBondContact O-N 3.3Å; A682-G685 PolarHBondContact O-N 3.28Å; A682-G685 VanDerWaalsContact O-N 3.08Å; A682-L687 HydrophobicContact CB-CB 4.41Å; A682-L687 HydrophobicContact CB-CD2 3.87Å
683Q92.5Very high89.8Confident162 Ų16288 Ų8876%0.75748%0.478SS*.Hα-helixtrans-62.7-41.5178-72.1168.3-5.500112.3S679 M680 G685S679-Q683 WeakPolarHBondContact O-CG 3.23Å; S679-Q683 PolarHBondContact O-N 3.27Å; M680-Q683 PolarHBondContact O-N 3.13Å; Q683-G685 PolarHBondContact O-N 2.99Å
684E92.7Very high89.1Confident139 Ų13986.6 Ų86.665%0.6548%0.477SS*.THydrogen-bonded Turntrans-75.22.9174.3-66-65.7152.400113.5M680 M686M680-E684 WeakPolarHBondContact O-CG 3.32Å; M680-E684 PolarHBondContact O-N 2.68Å; E684-M686 HydrophobicContact CB-CE 3.57Å; E684-M686 HydrophobicContact CB-CG 4.22Å; E684-M686 HydrophobicContact CG-CE 3.98Å; E684-M686 PolarHBondContact O-N 3.47Å
685G89.9Confident88.6Confident43 Ų4386 Ų8644%0.44347%0.474SS..THydrogen-bonded Turntrans67-2.4-178.100000115.5A682 Q683 L687A682-G685 PolarHBondContact O-N 3.28Å; A682-G685 VanDerWaalsContact O-N 3.08Å; Q683-G685 PolarHBondContact O-N 2.99Å; G685-L687 PolarHBondContact O-N 3.27Å
686M89.1Confident87.5Confident87 Ų8784.3 Ų84.343%0.42946%0.463SS..Hα-helixtrans-69.5-31.4-176.8-69.7-167.6-83.900113.2L681 E684 A688 N689 L690L681-M686 HydrophobicContact CD2-CB 4.16Å; L681-M686 HydrophobicContact CD2-CE 4.02Å; L681-M686 PolarHBondContact O-N 3.01Å; E684-M686 HydrophobicContact CB-CE 3.57Å; E684-M686 HydrophobicContact CB-CG 4.22Å; E684-M686 HydrophobicContact CG-CE 3.98Å; E684-M686 PolarHBondContact O-N 3.47Å; M686-A688 VanDerWaalsContact C-N 3.33Å; M686-A688 PolarHBondContact O-N 2.93Å; M686-N689 PolarHBondContact O-N 2.91Å; M686-L690 HydrophobicContact CB-CD1 4.46Å; M686-L690 WeakPolarHBondContact O-CD1 3.14Å; M686-L690 PolarHBondContact O-N 3.43Å
687L88.1Confident86.1Confident49 Ų4983.9 Ų83.926%0.25746%0.46SS..Hα-helixtrans-57.1-42.5-173.1-176.262.5000112.9I678 L681 A682 G685 N689 L690 V691I678-L687 HydrophobicContact CG2-CD1 4.42Å; I678-L687 HydrophobicContact CG2-CD2 3.94Å; L681-L687 HydrophobicContact CB-CB 4.02Å; L681-L687 HydrophobicContact CB-CD1 4.37Å; L681-L687 WeakPolarHBondContact O-CB 3.41Å; L681-L687 PolarHBondContact O-N 3.44Å; A682-L687 HydrophobicContact CB-CB 4.41Å; A682-L687 HydrophobicContact CB-CD2 3.87Å; G685-L687 PolarHBondContact O-N 3.27Å; L687-N689 PolarHBondContact O-N 3.49Å; L687-L690 PolarHBondContact O-N 2.87Å; L687-V691 HydrophobicContact CD1-CG2 4.05Å; L687-V691 HydrophobicContact CG-CG2 4.3Å; L687-V691 WeakPolarHBondContact O-CB 3.37Å; L687-V691 VanDerWaalsContact O-CG2 3.26Å; L687-V691 WeakPolarHBondContact O-CG2 3.48Å; L687-V691 PolarHBondContact O-N 3.38Å
688A84.7Confident84.4Confident69 Ų6985.7 Ų85.757%0.5746%0.464SS*.Hα-helixtrans-60.4-46179.800000111.7M686 V691 E692M686-A688 VanDerWaalsContact C-N 3.33Å; M686-A688 PolarHBondContact O-N 2.93Å; A688-V691 PolarHBondContact O-N 2.83Å; A688-E692 PolarHBondContact O-N 2.84Å
689N85.4Confident82.6Confident97 Ų9791.5 Ų91.552%0.51948%0.481SS..Hα-helixtrans-64-44.4177.9-65.7-46000111.7M686 L687 V691 E692 Q693M686-N689 PolarHBondContact O-N 2.91Å; L687-N689 PolarHBondContact O-N 3.49Å; N689-V691 PolarHBondContact O-N 2.86Å; N689-E692 PolarHBondContact O-N 3.14Å; N689-Q693 WeakPolarHBondContact O-CB 3.48Å; N689-Q693 VanDerWaalsContact O-CG 3.24Å; N689-Q693 WeakPolarHBondContact O-CG 3.49Å; N689-Q693 PolarHBondContact O-N 3.47Å
690L86.2Confident80.9Confident71 Ų7199.2 Ų99.237%0.37250%0.5SS..Hα-helixtrans-63.4-39.9177.3-95.368.3000112.2L681 M686 L687 N694L681-L690 HydrophobicContact CD1-CD2 4.28Å; M686-L690 HydrophobicContact CB-CD1 4.46Å; M686-L690 WeakPolarHBondContact O-CD1 3.14Å; M686-L690 PolarHBondContact O-N 3.43Å; L687-L690 PolarHBondContact O-N 2.87Å; L690-N694 WeakPolarHBondContact O-CB 3.47Å; L690-N694 PolarHBondContact O-N 2.91Å; L690-N694 VanDerWaalsContact O-N 3.07Å; L690-N694 PolarHBondContact O-ND2 3.29Å
691V86.3Confident79.3Confident73 Ų73100.7 Ų100.744%0.44251%0.506SS..Hα-helixtrans-67.7-45.6177.6168.60000110.9L687 A688 N689 Q693 N694 I695L687-V691 HydrophobicContact CD1-CG2 4.05Å; L687-V691 HydrophobicContact CG-CG2 4.3Å; L687-V691 WeakPolarHBondContact O-CB 3.37Å; L687-V691 VanDerWaalsContact O-CG2 3.26Å; L687-V691 WeakPolarHBondContact O-CG2 3.48Å; L687-V691 PolarHBondContact O-N 3.38Å; A688-V691 PolarHBondContact O-N 2.83Å; N689-V691 PolarHBondContact O-N 2.86Å; V691-Q693 PolarHBondContact O-N 3.34Å; V691-N694 PolarHBondContact O-N 3.13Å; V691-I695 HydrophobicContact CG1-CD1 3.69Å; V691-I695 HydrophobicContact CG1-CG1 4.45Å; V691-I695 VanDerWaalsContact O-CG1 3.3Å; V691-I695 WeakPolarHBondContact O-CG1 3.45Å; V691-I695 PolarHBondContact O-N 2.8Å
692E83.7Confident77.2Confident131 Ų131102.7 Ų102.761%0.61253%0.532SS*.Hα-helixtrans-64.7-39.8177.8-177.6163.5-142.700112.4A688 N689 I695 S696A688-E692 PolarHBondContact O-N 2.84Å; N689-E692 PolarHBondContact O-N 3.14Å; E692-I695 PolarHBondContact O-N 3.47Å; E692-S696 VanDerWaalsContact O-CB 3.24Å; E692-S696 WeakPolarHBondContact O-CB 3.33Å; E692-S696 PolarHBondContact O-N 3.2Å; E692-S696 PolarHBondContact O-OG 3.02Å
693Q80.4Confident75.4Confident122 Ų122104.1 Ų104.157%0.5754%0.535SS*.Hα-helixtrans-58.8-48.6172.4-75.2175.813.200111.5N689 V691 S696 V697N689-Q693 WeakPolarHBondContact O-CB 3.48Å; N689-Q693 VanDerWaalsContact O-CG 3.24Å; N689-Q693 WeakPolarHBondContact O-CG 3.49Å; N689-Q693 PolarHBondContact O-N 3.47Å; V691-Q693 PolarHBondContact O-N 3.34Å; Q693-S696 CarbonylContact O-C 3.53Å; Q693-S696 WeakPolarHBondContact O-CB 3.24Å; Q693-S696 PolarHBondContact O-N 3.12Å; Q693-S696 VanDerWaalsContact O-N 3.15Å; Q693-V697 WeakPolarHBondContact O-CG2 3.17Å; Q693-V697 PolarHBondContact O-N 3.21Å
694N77Confident73.2Confident104 Ų104101.3 Ų101.356%0.55653%0.533SS*.Hα-helixtrans-66-39.7-179.3-86.2-84.4000113.2L690 V691 S696 V697 R698L690-N694 WeakPolarHBondContact O-CB 3.47Å; L690-N694 PolarHBondContact O-N 2.91Å; L690-N694 VanDerWaalsContact O-N 3.07Å; L690-N694 PolarHBondContact O-ND2 3.29Å; V691-N694 PolarHBondContact O-N 3.13Å; N694-S696 VanDerWaalsContact C-N 3.28Å; N694-S696 PolarHBondContact O-N 2.75Å; N694-V697 PolarHBondContact O-N 2.87Å; N694-R698 PolarHBondContact O-N 2.83Å
695I79.2Confident71.3Confident63 Ų6399.9 Ų99.932%0.32353%0.529SS..Hα-helixtrans-62.1-40172.5-68.1167.4000110.3V691 E692 R698 R699 I705V691-I695 HydrophobicContact CG1-CD1 3.69Å; V691-I695 HydrophobicContact CG1-CG1 4.45Å; V691-I695 VanDerWaalsContact O-CG1 3.3Å; V691-I695 WeakPolarHBondContact O-CG1 3.45Å; V691-I695 PolarHBondContact O-N 2.8Å; E692-I695 PolarHBondContact O-N 3.47Å; I695-R698 PolarHBondContact O-N 3.48Å; I695-R699 WeakPolarHBondContact O-CG 3.34Å; I695-R699 PolarHBondContact O-N 3.42Å; I695-I705 HydrophobicContact CG2-CD1 4.49Å
696S69.5Low69.1Low43 Ų43100.7 Ų100.730%0.30154%0.537SS..Hα-helixtrans-69.5-37.3178.7-63.10000113.2E692 Q693 N694 R699 R700E692-S696 VanDerWaalsContact O-CB 3.24Å; E692-S696 WeakPolarHBondContact O-CB 3.33Å; E692-S696 PolarHBondContact O-N 3.2Å; E692-S696 PolarHBondContact O-OG 3.02Å; Q693-S696 CarbonylContact O-C 3.53Å; Q693-S696 WeakPolarHBondContact O-CB 3.24Å; Q693-S696 PolarHBondContact O-N 3.12Å; Q693-S696 VanDerWaalsContact O-N 3.15Å; N694-S696 VanDerWaalsContact C-N 3.28Å; N694-S696 PolarHBondContact O-N 2.75Å; S696-R699 PolarHBondContact O-N 2.96Å; S696-R700 PolarHBondContact O-N 2.92Å
697V62.6Low66.8Low74 Ų74107.7 Ų107.745%0.44856%0.559SS.*Hα-helixtrans-64.5-46.3173170.90000110.8Q693 N694 R699 R700 Q701Q693-V697 WeakPolarHBondContact O-CG2 3.17Å; Q693-V697 PolarHBondContact O-N 3.21Å; N694-V697 PolarHBondContact O-N 2.87Å; V697-R699 VanDerWaalsContact C-N 3.29Å; V697-R699 PolarHBondContact O-N 3.01Å; V697-R700 WeakPolarHBondContact O-CB 3.07Å; V697-R700 PolarHBondContact O-N 3.04Å; V697-Q701 PolarHBondContact O-N 3Å
698R58.3Low64.7Low146 Ų146112.9 Ų112.955%0.55159%0.586SS**Hα-helixtrans-62-33176-84-174.9169.3167.5-1113.4N694 I695 R700 Q701 G702N694-R698 PolarHBondContact O-N 2.83Å; I695-R698 PolarHBondContact O-N 3.48Å; R698-R700 VanDerWaalsContact C-N 3.3Å; R698-R700 PolarHBondContact O-N 3.3Å; R698-Q701 PolarHBondContact O-N 2.91Å; R698-G702 PolarHBondContact O-N 3.45Å
699R56.8Low62.8Low200 Ų200117.1 Ų117.176%0.75559%0.593SS**Hα-helixtrans-62.4-32.8170.9-76.1178.6-178.1169.73.2113I695 S696 V697I695-R699 WeakPolarHBondContact O-CG 3.34Å; I695-R699 PolarHBondContact O-N 3.42Å; S696-R699 PolarHBondContact O-N 2.96Å; V697-R699 VanDerWaalsContact C-N 3.29Å; V697-R699 PolarHBondContact O-N 3.01Å
700R56.4Low60.8Low227 Ų227122.2 Ų122.286%0.85761%0.611SS**Hα-helixtrans-77.2-34175-62.2-174.8-167.2-157.84.9112.8S696 V697 R698 G702S696-R700 PolarHBondContact O-N 2.92Å; V697-R700 WeakPolarHBondContact O-CB 3.07Å; V697-R700 PolarHBondContact O-N 3.04Å; R698-R700 VanDerWaalsContact C-N 3.3Å; R698-R700 PolarHBondContact O-N 3.3Å; R700-G702 VanDerWaalsContact C-N 3.26Å; R700-G702 PolarHBondContact O-N 3.41Å
701Q60.9Low58.9Low138 Ų138126.6 Ų126.665%0.64563%0.63SS**THydrogen-bonded Turntrans-81.77.1-179.9-71.8-177.9-29.900114.6V697 R698 V703V697-Q701 PolarHBondContact O-N 3Å; R698-Q701 PolarHBondContact O-N 2.91Å; Q701-V703 PolarHBondContact O-N 3.26Å
702G49.3Very low56.9Low64 Ų64134.7 Ų134.766%0.6665%0.652SS**THydrogen-bonded Turntrans69-2.7176.400000115.7R698 R700 S704R698-G702 PolarHBondContact O-N 3.45Å; R700-G702 VanDerWaalsContact C-N 3.26Å; R700-G702 PolarHBondContact O-N 3.41Å; G702-S704 VanDerWaalsContact C-N 3.35Å; G702-S704 PolarHBondContact O-N 3.42Å
703V54.7Low55.3Low84 Ų84137.8 Ų137.851%0.50966%0.664SS.*  trans-71.191176.6-1770000108.7Q701 I705Q701-V703 PolarHBondContact O-N 3.26Å; V703-I705 PolarHBondContact O-N 2.88Å
704S46.3Very low54.3Low103 Ų103137.6 Ų137.672%0.7267%0.673SS**  trans-60112.3177.961.20000110G702 G706G702-S704 VanDerWaalsContact C-N 3.35Å; G702-S704 PolarHBondContact O-N 3.42Å; S704-G706 PolarHBondContact O-N 3.12Å
705I53.7Low52.9Low110 Ų110138.7 Ų138.756%0.56468%0.679SS**  trans-52.5114.1158.3-73.3174.2000106.1I695 V703 R707I695-I705 HydrophobicContact CG2-CD1 4.49Å; V703-I705 PolarHBondContact O-N 2.88Å; I705-R707 PolarHBondContact O-N 3.31Å
706G42.3Very low51.6Low60 Ų60147 Ų14762%0.61971%0.706SS**  trans-56.5117.9-177.800000108.8S704 L708S704-G706 PolarHBondContact O-N 3.12Å; G706-L708 PolarHBondContact O-N 3.13Å
707R41.5Very low50.8Low233 Ų233156 Ų15688%0.87973%0.733SS**  trans-59.1101.5-179.3-83.8-175.1171.5-179-2109I705 H709I705-R707 PolarHBondContact O-N 3.31Å; R707-H709 PolarHBondContact O-N 3.43Å
708L44.4Very low50.2Low159 Ų159161.7 Ų161.783%0.83275%0.752SS**SBendtrans-7454169.9-158.3110.1000109.9G706G706-L708 PolarHBondContact O-N 3.13Å
709H44Very low49.8Very low157 Ų157166.2 Ų166.273%0.72777%0.769SS**  trans-149.458.9-177.9-133.575.3000108.6R707 Q711R707-H709 PolarHBondContact O-N 3.43Å; H709-Q711 PolarHBondContact O-N 3.21Å
710K43.9Very low49.8Very low205 Ų205161.6 Ų161.689%0.89177%0.768SS**  trans-7379.8177.3-166.3171.5-1751750108.9R712K710-R712 PolarHBondContact O-N 3.39Å
711Q45.8Very low49.4Very low163 Ų163162.4 Ų162.476%0.76277%0.771SS**  trans-44.7125.9170.4-86.5-174.3-27.900109.3H709 K713H709-Q711 PolarHBondContact O-N 3.21Å; Q711-K713 PolarHBondContact O-N 3.16Å
712R43.7Very low49.6Very low243 Ų243161.9 Ų161.992%0.91778%0.779SS**  trans-64.592.4175.6-75.1178.9164.7-172.9-4.5109.4K710 P714K710-R712 PolarHBondContact O-N 3.39Å; R712-P714 WeakPolarHBondContact O-CD 3.29Å
713K49.9Very low49.7Very low195 Ų195168.9 Ų168.985%0.84879%0.787SS**PPolyproline II helixtrans-66.7123158.7-77.7-164.3173.5-175.10107.5Q711 D715Q711-K713 PolarHBondContact O-N 3.16Å; K713-D715 PolarHBondContact O-N 2.88Å
714P59.7Low49.7Very low118 Ų118174.7 Ų174.777%0.76681%0.806SS**PPolyproline II helixtrans-60.1137177.9-23.834.4000111R712 R716R712-P714 WeakPolarHBondContact O-CD 3.29Å; P714-R716 PolarHBondContact O-N 3.18Å
715D47.1Very low50.3Low127 Ų127173.5 Ų173.568%0.67980%0.802SS**PPolyproline II helixtrans-65.6121.1172.2179.614.9000109.7K713 R717K713-D715 PolarHBondContact O-N 2.88Å; D715-R717 WeakPolarHBondContact OD1-CB 3.36Å; D715-R717 PolarHBondContact OD1-N 2.82Å
716R53.6Low50Low238 Ų238177.8 Ų177.890%0.89882%0.817SS**  trans-974.8-179.2-145.3176.1-175.7-165.51112.8P714 K718P714-R716 PolarHBondContact O-N 3.18Å; R716-K718 PolarHBondContact O-N 3.03Å
717R51.6Low50.7Low231 Ų231186.6 Ų186.687%0.87283%0.831SS**  trans-92.835.2179.8-71.3-171.3168.1-174.6-2.6114.7D715D715-R717 WeakPolarHBondContact OD1-CB 3.36Å; D715-R717 PolarHBondContact OD1-N 2.82Å
718K49.8Very low51.3Low195 Ų195188 Ų18885%0.84885%0.848SS**  trans-118.285.5157.1-74-170.6178.2-179.10111.2R716R716-K718 PolarHBondContact O-N 3.03Å
719R51.1Low51.7Low240 Ų240189.5 Ų189.591%0.90685%0.849SS**  trans-114105.8157.1-100-168.6170.2-152-4.7109.9
720S55.2Low52.1Low103 Ų103191.2 Ų191.272%0.7286%0.855SS**  trans-4.9121.4157.752.60000117.2
721R49.8Very low52.5Low245 Ų245190.4 Ų190.493%0.92585%0.853SS**PPolyproline II helixtrans-62.5132.6150.3-80.7-179.4163.5-174.6-5.4108.7
722P63.8Low52.9Low127 Ų127192.1 Ų192.183%0.82586%0.858SS**PPolyproline II helixtrans-66.2139.4170.6-20.433.3000111.6
723Y52.7Low53.5Low210 Ų210188.9 Ų188.982%0.82486%0.855SS**PPolyproline II helixtrans-77.7121.6173.7179.8-93000110A725Y723-A725 HydrophobicContact CD1-CB 4.16Å; Y723-A725 HydrophobicContact CE1-CB 4.08Å; Y723-A725 PolarHBondContact O-N 3.16Å; Y723-A725 VanDerWaalsContact O-N 3.16Å
724K53.8Low53.8Low207 Ų207188.5 Ų188.590%0.986%0.855SS**  trans-76.996169.6-90.8-168.4171.7-173.60109.4
725A58.3Low53.3Low77 Ų77193.5 Ų193.564%0.63686%0.861SS**  trans-71.3138163.700000110.1Y723Y723-A725 HydrophobicContact CD1-CB 4.16Å; Y723-A725 HydrophobicContact CE1-CB 4.08Å; Y723-A725 PolarHBondContact O-N 3.16Å; Y723-A725 VanDerWaalsContact O-N 3.16Å
726K47.3Very low53.8Low201 Ų201198.6 Ų198.687%0.87488%0.875SS**  trans-69.1145.8166-78.8-173.9172.3-173.50110.1
727R56.9Low53.8Low244 Ų244195.3 Ų195.392%0.92187%0.874SS**  trans-154.3135.8157.9-130.3-178.1-176.9-142.4-1.4108.2
728Q55.8Low54Low264 Ų264192.1 Ų192.1100%1.23487%0.874SS**  trans67.30-153.5-56.7178.2-15.200111.8

Retrieved 728 of 728 residues in 1012 ms (Link to these results)