A0A5K4FD17_SCHMA Loading...

Deoxyribonuclease TATDN3

AlphaFold DB , UniProt , Accession A0A5K4FD17, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 277 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.8Very low70.7Confident241 Ų24186.4 Ų86.4100%1.18744%0.436SS*.  097.60-76.4-172.8-110.100107.4A3M1-A3 PolarHBondContact O-N 3.45Å
2T43.2Very low73Confident102 Ų10279.2 Ų79.263%0.62640%0.4SS*.  trans-64.5103.4165.54.90000105.7L4T2-L4 PolarHBondContact O-N 3.06Å
3A45.2Very low75Confident67 Ų6773.2 Ų73.255%0.55437%0.369SS*.  trans-58.6113.6171.200000106.5M1 H5M1-A3 PolarHBondContact O-N 3.45Å; A3-H5 VanDerWaalsContact C-N 3.27Å; A3-H5 PolarHBondContact O-N 2.83Å; A3-H5 PolarHBondContact O-ND1 2.81Å
4L54.7Low76.7Confident36 Ų3667.9 Ų67.919%0.18834%0.343CS..  trans-60.297.9169.8-84.9163000107T2 N6 S9 T263 F267 V275T2-L4 PolarHBondContact O-N 3.06Å; L4-N6 PolarHBondContact O-N 2.68Å; L4-S9 VanDerWaalsContact CD2-OG 3.31Å; L4-S9 WeakPolarHBondContact CD2-OG 3.17Å; L4-T263 HydrophobicContact CD1-CG2 3.36Å; L4-F267 HydrophobicContact CD1-CE2 3.56Å; L4-F267 HydrophobicContact CD1-CZ 4.13Å; L4-V275 HydrophobicContact CD2-CG2 4.42Å
5H57.5Low78.2Confident181 Ų18163.4 Ų63.484%0.83832%0.32SS*.  trans-67.6-14179.8-82.955.4000111.4A3A3-H5 VanDerWaalsContact C-N 3.27Å; A3-H5 PolarHBondContact O-N 2.83Å; A3-H5 PolarHBondContact O-ND1 2.81Å
6N76.9Confident79.4Confident57 Ų5760.1 Ų60.131%0.30530%0.303SS..  trans-95.6106.7176.6-170.8-8.3000111L4 R8 S9 N37L4-N6 PolarHBondContact O-N 2.68Å; N6-R8 PolarHBondContact O-N 2.88Å; N6-R8 VanDerWaalsContact O-N 3.08Å; N6-R8 WeakPolarHBondContact OD1-CB 3.43Å; N6-R8 PolarHBondContact OD1-N 2.58Å; N6-S9 VanDerWaalsContact O-CB 3.26Å; N6-S9 WeakPolarHBondContact O-CB 3.32Å; N6-S9 PolarHBondContact O-N 3.02Å; N6-N37 PolarHBondContact ND2-OD1 3.26Å
7K81.1Confident80.5Confident135 Ų13557 Ų5759%0.58729%0.288SS*.THydrogen-bonded Turntrans-61.1-13.5175.1-66.6-174178.4-177.10114E256 C259K7-E256 HydrophobicContact CB-CB 4.34Å; K7-C259 WeakPolarHBondContact O-CB 3.11Å
8R89.9Confident81.4Confident123 Ų12354.3 Ų54.346%0.46428%0.275SS..THydrogen-bonded Turntrans-99.16.5176.9-58.1-178.8-178.2-171.1-0.2113.4N6 F255 E256N6-R8 PolarHBondContact O-N 2.88Å; N6-R8 VanDerWaalsContact O-N 3.08Å; N6-R8 WeakPolarHBondContact OD1-CB 3.43Å; N6-R8 PolarHBondContact OD1-N 2.58Å; R8-F255 HydrophobicContact CB-CE1 4.34Å; R8-F255 HydrophobicContact CG-CE1 4.02Å; R8-E256 HydrophobicContact CG-CG 4.04Å; R8-E256 IonicContact CZ-OE1 3.66Å; R8-E256 VanDerWaalsContact CZ-OE1 3.27Å; R8-E256 IonicContact NE-OE1 3.63Å; R8-E256 PolarHBondContact NE-OE1 3.09Å; R8-E256 IonicContact NH2-OE1 2.69Å; R8-E256 PolarHBondContact NH2-OE1 3.12Å
9S93.1Very high82.1Confident3 Ų353.2 Ų53.22%0.02127%0.269CS..  trans-60.4137.2172-177.60000110.4L4 N6 H39 T263L4-S9 VanDerWaalsContact CD2-OG 3.31Å; L4-S9 WeakPolarHBondContact CD2-OG 3.17Å; N6-S9 VanDerWaalsContact O-CB 3.26Å; N6-S9 WeakPolarHBondContact O-CB 3.32Å; N6-S9 PolarHBondContact O-N 3.02Å; S9-H39 VanDerWaalsContact CB-ND1 3.29Å; S9-H39 WeakPolarHBondContact CB-ND1 3.22Å; S9-H39 PolarHBondContact OG-ND1 3.48Å; S9-T263 PolarHBondContact O-OG1 2.96Å
10V97.4Very high82.7Confident0 Ų054.3 Ų54.30%028%0.281CS..EExtended strand (participates in β ladder)trans-129.1148173.5178.60000109.9N37 V38 H39 V219 A240 I241 C259V10-N37 PolarHBondContact N-O 3.49Å; V10-V38 CarbonylContact O-C 3.01Å; V10-V38 WeakPolarHBondContact O-CA 3.44Å; V10-H39 PolarHBondContact O-N 2.88Å; V10-V219 HydrophobicContact CG1-CG1 4.1Å; V10-A240 HydrophobicContact CG1-CB 3.76Å; V10-I241 HydrophobicContact CB-CD1 3.96Å; V10-I241 HydrophobicContact CG2-CD1 3.61Å; V10-C259 HydrophobicContact CG2-CB 3.97Å
11I98.1Very high83.3Confident5 Ų555.7 Ų55.73%0.02629%0.288CS..EExtended strand (participates in β ladder)trans-115.4125.7169.3-61179.5000107.5T13 G40 T263 A266 F267 L273 V275I11-T13 HydrophobicContact CG2-CG2 4.11Å; I11-T13 PolarHBondContact O-N 3.34Å; I11-G40 WeakPolarHBondContact CA-O 3.26Å; I11-T263 HydrophobicContact CD1-CG2 3.95Å; I11-T263 HydrophobicContact CG1-CG2 4.07Å; I11-A266 HydrophobicContact CB-CB 4.3Å; I11-A266 HydrophobicContact CD1-CB 4.1Å; I11-A266 HydrophobicContact CG2-CB 4.38Å; I11-F267 HydrophobicContact CD1-CD2 4.22Å; I11-F267 HydrophobicContact CD1-CE2 3.66Å; I11-F267 HydrophobicContact CD1-CZ 4Å; I11-L273 HydrophobicContact CD1-CD1 3.65Å; I11-L273 HydrophobicContact CG2-CD1 4.37Å; I11-V275 HydrophobicContact CD1-CG1 3.81Å; I11-V275 HydrophobicContact CG1-CG1 4.24Å
12D98.6Very high86Confident0 Ų044.2 Ų44.20%023%0.232CC..EExtended strand (participates in β ladder)trans-79.1104.6169.1-177.6-1.9000108.8H14 V38 G40 A41 I42 E220 T221 P237 A240D12-H14 VanDerWaalsContact C-N 3.27Å; D12-H14 PolarHBondContact O-N 3.19Å; D12-H14 PolarHBondContact OD1-N 3.08Å; D12-H14 VanDerWaalsContact OD1-N 3.15Å; D12-H14 VanDerWaalsContact OD1-O 3.06Å; D12-V38 HydrophobicContact CB-CG1 4.24Å; D12-G40 PolarHBondContact N-O 3.33Å; D12-A41 HydrophobicContact CB-CB 4.15Å; D12-A41 CarbonylContact O-C 3.26Å; D12-A41 VanDerWaalsContact O-CA 3.25Å; D12-A41 WeakPolarHBondContact O-CA 3.48Å; D12-I42 PolarHBondContact O-N 2.94Å; D12-E220 VanDerWaalsContact OD1-CA 3.25Å; D12-E220 WeakPolarHBondContact OD1-CA 3.35Å; D12-T221 PolarHBondContact OD1-N 2.89Å; D12-T221 WeakPolarHBondContact OD2-CB 3.29Å; D12-T221 WeakPolarHBondContact OD2-CG2 3.36Å; D12-T221 PolarHBondContact OD2-OG1 2.84Å; D12-P237 HydrophobicContact CB-CB 4.4Å; D12-A240 HydrophobicContact CB-CB 4.43Å
13T98.8Very high88.5Confident1 Ų144.7 Ų44.71%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-84.51.7-174.666.70000113.7I11 I42 N149 Q172 L218 V219 A266I11-T13 HydrophobicContact CG2-CG2 4.11Å; I11-T13 PolarHBondContact O-N 3.34Å; T13-I42 HydrophobicContact CG2-CD1 4.36Å; T13-N149 PolarHBondContact O-ND2 2.93Å; T13-Q172 PolarHBondContact O-NE2 3.43Å; T13-Q172 PolarHBondContact OG1-NE2 3.07Å; T13-Q172 VanDerWaalsContact OG1-NE2 3.1Å; T13-Q172 PolarHBondContact OG1-OE1 3.22Å; T13-L218 HydrophobicContact CG2-CB 4.27Å; T13-L218 HydrophobicContact CG2-CD1 4.49Å; T13-L218 HydrophobicContact CG2-CD2 4.23Å; T13-V219 PolarHBondContact N-O 3.42Å; T13-V219 PolarHBondContact OG1-O 2.81Å; T13-A266 HydrophobicContact CG2-CB 3.79Å
14H98.8Very high90.9Very high0 Ų051.6 Ų51.60%025%0.248CC..EExtended strand (participates in β ladder)trans-156.1112.5173.3-158.6116.7000113.4D12 H16 L44 E111 N149 H174 E220 D222D12-H14 VanDerWaalsContact C-N 3.27Å; D12-H14 PolarHBondContact O-N 3.19Å; D12-H14 PolarHBondContact OD1-N 3.08Å; D12-H14 VanDerWaalsContact OD1-N 3.15Å; D12-H14 VanDerWaalsContact OD1-O 3.06Å; H14-H16 AromaticContact CD2-NE2 3.53Å; H14-H16 AromaticContact NE2-CE1 3.61Å; H14-H16 AromaticContact NE2-NE2 3.19Å; H14-H16 PolarHBondContact NE2-NE2 2.94Å; H14-H16 VanDerWaalsContact NE2-NE2 3.19Å; H14-L44 HydrophobicContact CB-CD2 3.98Å; H14-L44 VanDerWaalsContact CD2-CD2 3.49Å; H14-L44 WeakPolarHBondContact CD2-CD2 3.49Å; H14-E111 IonicContact CE1-OE1 2.68Å; H14-E111 IonicContact CE1-OE2 3.74Å; H14-E111 IonicContact NE2-OE1 3.26Å; H14-E111 IonicContact NE2-OE2 3.86Å; H14-N149 PolarHBondContact CE1-OD1 3.29Å; H14-N149 PolarHBondContact ND1-ND2 3.31Å; H14-N149 PolarHBondContact ND1-OD1 2.94Å; H14-H174 AromaticContact CD2-ND1 3.61Å; H14-H174 AromaticContact CE1-CE1 3.85Å; H14-H174 AromaticContact CE1-CG 3.41Å; H14-H174 VanDerWaalsContact CE1-CG 3.41Å; H14-H174 AromaticContact CE1-ND1 3.24Å; H14-H174 PolarHBondContact CE1-ND1 3.36Å; H14-H174 AromaticContact CG-ND1 3.7Å; H14-H174 WeakPolarHBondContact ND1-CB 3.17Å; H14-H174 AromaticContact ND1-CG 3.54Å; H14-H174 AromaticContact ND1-ND1 3.48Å; H14-H174 PolarHBondContact ND1-ND1 3.23Å; H14-H174 AromaticContact NE2-CE1 3.74Å; H14-H174 AromaticContact NE2-ND1 3.36Å; H14-H174 PolarHBondContact NE2-ND1 3.24Å; H14-E220 HydrophobicContact CB-CB 3.57Å; H14-E220 HydrophobicContact CB-CG 4.22Å; H14-E220 WeakPolarHBondContact CB-OE2 3.48Å; H14-E220 IonicContact CG-OE2 2.71Å; H14-D222 IonicContact CD2-OD1 3.23Å; H14-D222 PolarHBondContact CD2-OD1 2.79Å; H14-D222 VanDerWaalsContact CD2-OD1 3.32Å; H14-D222 IonicContact NE2-OD1 3.54Å; H14-D222 WeakPolarHBondContact O-CA 3.34Å; H14-D222 PolarHBondContact O-N 3.22Å
15C98.6Very high93Very high0 Ų051.4 Ų51.40%025%0.247CC..EExtended strand (participates in β ladder)trans-154.6161.3171.8640000113.1L17 I42 V43 L44 A223C15-L17 HydrophobicContact CB-CG 4.48Å; C15-I42 PolarHBondContact N-O 2.99Å; C15-I42 PolarHBondContact SG-O 2.86Å; C15-V43 WeakPolarHBondContact O-CA 3.47Å; C15-L44 WeakPolarHBondContact O-CD2 3.17Å; C15-L44 PolarHBondContact O-N 3.03Å; C15-A223 HydrophobicContact CB-CB 4.15Å
16H98.3Very high94.9Very high11 Ų1143.9 Ų43.95%0.05121%0.213CC..  trans-117.460.6-177.1-55.6-84.2000111.6H14 C18 E19 E46 E111 D222 A223H14-H16 AromaticContact CD2-NE2 3.53Å; H14-H16 AromaticContact NE2-CE1 3.61Å; H14-H16 AromaticContact NE2-NE2 3.19Å; H14-H16 PolarHBondContact NE2-NE2 2.94Å; H14-H16 VanDerWaalsContact NE2-NE2 3.19Å; H16-C18 PolarHBondContact O-N 2.72Å; H16-E19 HydrophobicContact CB-CG 4.09Å; H16-E19 WeakPolarHBondContact O-CB 3.27Å; H16-E19 PolarHBondContact O-N 2.71Å; H16-E46 IonicContact ND1-OE2 3.99Å; H16-E111 IonicContact CE1-OE2 3.73Å; H16-E111 PolarHBondContact CE1-OE2 2.82Å; H16-E111 IonicContact NE2-OE2 3.3Å; H16-D222 IonicContact CD2-OD1 2.74Å; H16-D222 IonicContact NE2-OD1 2.85Å; H16-A223 WeakPolarHBondContact CA-O 3.3Å; H16-A223 WeakPolarHBondContact CB-O 3.45Å; H16-A223 PolarHBondContact N-O 2.92Å
17L98.2Very high95.9Very high7 Ų743.9 Ų43.94%0.03721%0.213CC..THydrogen-bonded Turntrans-67.3-2.3-178.4-62.8-177.6000114.9C15 F22 I26 V29 I30 V43 L57 W64 I65 P237C15-L17 HydrophobicContact CB-CG 4.48Å; L17-F22 HydrophobicContact CD2-CD2 4.2Å; L17-F22 HydrophobicContact CD2-CE2 3.95Å; L17-F22 HydrophobicContact CD2-CZ 4.18Å; L17-I26 HydrophobicContact CB-CD1 3.95Å; L17-I26 HydrophobicContact CD1-CD1 4.32Å; L17-I26 HydrophobicContact CD2-CD1 4.05Å; L17-I26 HydrophobicContact CG-CD1 4.32Å; L17-V29 HydrophobicContact CD2-CG1 4.39Å; L17-I30 HydrophobicContact CD1-CG1 4.44Å; L17-V43 HydrophobicContact CB-CG1 4.16Å; L17-V43 HydrophobicContact CB-CG2 4.23Å; L17-V43 HydrophobicContact CD1-CG2 3.94Å; L17-V43 HydrophobicContact CG-CG2 4.22Å; L17-L57 HydrophobicContact CB-CD2 3.62Å; L17-L57 HydrophobicContact CD1-CD2 4.37Å; L17-W64 HydrophobicContact CD1-CH2 4.3Å; L17-W64 HydrophobicContact CD1-CZ3 3.76Å; L17-I65 HydrophobicContact CD1-CD1 4.06Å; L17-P237 HydrophobicContact CD1-CG 4.26Å; L17-P237 HydrophobicContact CD2-CG 3.86Å
18C96.3Very high96.7Very high8 Ų841.8 Ų41.85%0.05421%0.208CC..THydrogen-bonded Turntrans-92.4-3.4173.3-650000113.6H16 D50 K53 V54H16-C18 PolarHBondContact O-N 2.72Å; C18-D50 HydrophobicContact CB-CB 4.38Å; C18-K53 HydrophobicContact CB-CB 3.89Å; C18-K53 HydrophobicContact CB-CD 4.07Å; C18-K53 WeakPolarHBondContact O-CD 3.39Å; C18-K53 PolarHBondContact O-NZ 3.11Å; C18-K53 VanDerWaalsContact O-NZ 3.12Å; C18-V54 WeakPolarHBondContact SG-CA 3.25Å; C18-V54 PolarHBondContact SG-N 3.49Å; C18-V54 VanDerWaalsContact SG-N 3.4Å
19E95.6Very high97.1Very high34 Ų3436 Ų3616%0.15919%0.186CC..SBendtrans-64.9142.1173.1-89-67.8174.500111.6H16 I21 F22 K76 P224H16-E19 HydrophobicContact CB-CG 4.09Å; H16-E19 WeakPolarHBondContact O-CB 3.27Å; H16-E19 PolarHBondContact O-N 2.71Å; E19-I21 HydrophobicContact CB-CG2 4.18Å; E19-I21 PolarHBondContact O-N 3.01Å; E19-F22 HydrophobicContact CB-CD2 4.44Å; E19-F22 PolarHBondContact O-N 2.89Å; E19-K76 IonicContact OE1-NZ 3.63Å; E19-K76 PolarHBondContact OE1-NZ 2.9Å; E19-K76 IonicContact OE2-NZ 3.46Å; E19-K76 PolarHBondContact OE2-NZ 3.42Å; E19-P224 HydrophobicContact CB-CG 4.41Å
20S93.9Very high97.4Very high74 Ų7435.8 Ų35.852%0.51719%0.185SC..G310 helixtrans-61.7-20.2-172.358.70000114F22 D23S20-F22 PolarHBondContact O-N 2.87Å; S20-F22 VanDerWaalsContact O-N 3.16Å; S20-D23 WeakPolarHBondContact CA-OD2 3.29Å; S20-D23 WeakPolarHBondContact O-CB 3.32Å; S20-D23 PolarHBondContact O-N 2.84Å; S20-D23 VanDerWaalsContact O-N 3.15Å
21I95.2Very high97.3Very high84 Ų8439.5 Ų39.543%0.43121%0.205SC..G310 helixtrans-62.7-18.3176.4-161.1171.7000113.2E19 P224 R234E19-I21 HydrophobicContact CB-CG2 4.18Å; E19-I21 PolarHBondContact O-N 3.01Å; I21-P224 HydrophobicContact CG2-CB 3.69Å; I21-P224 HydrophobicContact CG2-CG 3.85Å; I21-R234 HydrophobicContact CD1-CB 4.23Å; I21-R234 HydrophobicContact CD1-CG 4.07Å; I21-R234 PolarHBondContact O-NH1 3.43Å; I21-R234 VanDerWaalsContact O-NH1 3.08Å
22F97.3Very high97.3Very high1 Ų143.6 Ų43.60%0.00422%0.22CC..G310 helixtrans-99.7-5.6178-61.8-60.4000113.9L17 E19 S20 K24 D25 I26 V29 A223 P224 R234 E236L17-F22 HydrophobicContact CD2-CD2 4.2Å; L17-F22 HydrophobicContact CD2-CE2 3.95Å; L17-F22 HydrophobicContact CD2-CZ 4.18Å; E19-F22 HydrophobicContact CB-CD2 4.44Å; E19-F22 PolarHBondContact O-N 2.89Å; S20-F22 PolarHBondContact O-N 2.87Å; S20-F22 VanDerWaalsContact O-N 3.16Å; F22-K24 PolarHBondContact O-N 3.01Å; F22-D25 PolarHBondContact O-N 3.2Å; F22-D25 VanDerWaalsContact O-N 3.1Å; F22-I26 HydrophobicContact CB-CB 4.29Å; F22-I26 HydrophobicContact CB-CD1 4.07Å; F22-I26 HydrophobicContact CG-CD1 4.44Å; F22-I26 WeakPolarHBondContact O-CB 3.37Å; F22-I26 PolarHBondContact O-N 3.29Å; F22-V29 HydrophobicContact CD1-CG1 4.42Å; F22-V29 HydrophobicContact CD1-CG2 3.86Å; F22-V29 HydrophobicContact CE1-CG1 4.24Å; F22-V29 HydrophobicContact CE1-CG2 4.17Å; F22-A223 HydrophobicContact CZ-CB 4.19Å; F22-P224 HydrophobicContact CE2-CB 3.86Å; F22-P224 HydrophobicContact CE2-CG 4.27Å; F22-P224 HydrophobicContact CZ-CB 3.7Å; F22-R234 HydrophobicContact CE1-CG 4.05Å; F22-R234 HydrophobicContact CZ-CG 4.29Å; F22-E236 HydrophobicContact CE1-CG 4.23Å
23D95.2Very high97.3Very high112 Ų11243.6 Ų43.660%0.59922%0.22SC*.THydrogen-bonded Turntrans-56.1-29.8-170.7-77.2-19000113.7S20S20-D23 WeakPolarHBondContact CA-OD2 3.29Å; S20-D23 WeakPolarHBondContact O-CB 3.32Å; S20-D23 PolarHBondContact O-N 2.84Å; S20-D23 VanDerWaalsContact O-N 3.15Å
24K96.6Very high97.1Very high211 Ų21145.1 Ų45.192%0.91723%0.228SC*.THydrogen-bonded Turntrans-91.5-20.1-175.8-64.8-176.6-178.8176.70114.2F22F22-K24 PolarHBondContact O-N 3.01Å
25D97.7Very high97Very high32 Ų3250 Ų5017%0.17126%0.262CS..THydrogen-bonded Turntrans-144.613.8-167.477.6-41.7000115.3F22 D27 N28 V29 R32 R234F22-D25 PolarHBondContact O-N 3.2Å; F22-D25 VanDerWaalsContact O-N 3.1Å; D25-D27 PolarHBondContact O-N 3.04Å; D25-N28 WeakPolarHBondContact O-CA 3.1Å; D25-N28 WeakPolarHBondContact O-CB 3.47Å; D25-N28 PolarHBondContact O-N 3.45Å; D25-V29 WeakPolarHBondContact O-CG2 3.29Å; D25-V29 PolarHBondContact O-N 2.69Å; D25-R32 IonicContact OD2-NH2 3.92Å; D25-R234 IonicContact OD1-CZ 3.64Å; D25-R234 IonicContact OD1-NH1 3.82Å; D25-R234 PolarHBondContact OD1-NH1 3.11Å; D25-R234 IonicContact OD1-NH2 3.13Å; D25-R234 IonicContact OD2-CZ 3.83Å; D25-R234 IonicContact OD2-NH1 3.64Å; D25-R234 PolarHBondContact OD2-NH1 3.5Å; D25-R234 IonicContact OD2-NH2 3.16Å; D25-R234 PolarHBondContact OD2-NH2 3.04Å
26I97.8Very high96.8Very high24 Ų2451.4 Ų51.412%0.12327%0.274CS..Hα-helixtrans-50.2-35.1180-172.958.8000113.5L17 F22 N28 V29 I30 L57L17-I26 HydrophobicContact CB-CD1 3.95Å; L17-I26 HydrophobicContact CD1-CD1 4.32Å; L17-I26 HydrophobicContact CD2-CD1 4.05Å; L17-I26 HydrophobicContact CG-CD1 4.32Å; F22-I26 HydrophobicContact CB-CB 4.29Å; F22-I26 HydrophobicContact CB-CD1 4.07Å; F22-I26 HydrophobicContact CG-CD1 4.44Å; F22-I26 WeakPolarHBondContact O-CB 3.37Å; F22-I26 PolarHBondContact O-N 3.29Å; I26-N28 VanDerWaalsContact C-N 3.33Å; I26-N28 PolarHBondContact O-N 2.95Å; I26-V29 HydrophobicContact CD1-CB 4.49Å; I26-V29 WeakPolarHBondContact O-CB 3.5Å; I26-V29 PolarHBondContact O-N 3.46Å; I26-I30 HydrophobicContact CD1-CD1 4.05Å; I26-I30 HydrophobicContact CD1-CG1 4.15Å; I26-I30 HydrophobicContact CG1-CD1 3.97Å; I26-I30 HydrophobicContact CG1-CG1 4.44Å; I26-I30 WeakPolarHBondContact O-CG1 3.4Å; I26-I30 PolarHBondContact O-N 3.4Å; I26-L57 HydrophobicContact CD1-CD1 4.49Å; I26-L57 HydrophobicContact CG1-CD1 3.77Å
27D98Very high96.7Very high57 Ų5753.6 Ų53.631%0.30529%0.285SS..Hα-helixtrans-65.3-40178.7-62-5.5000111.6D25 N31 K60 Y61D25-D27 PolarHBondContact O-N 3.04Å; D27-N31 WeakPolarHBondContact O-CB 3.42Å; D27-N31 PolarHBondContact O-N 3.27Å; D27-N31 PolarHBondContact O-ND2 3.27Å; D27-N31 VanDerWaalsContact O-ND2 3.09Å; D27-K60 WeakPolarHBondContact OD1-CE 3.49Å; D27-K60 IonicContact OD1-NZ 2.58Å; D27-K60 PolarHBondContact OD1-NZ 2.91Å; D27-K60 IonicContact OD2-NZ 2.68Å; D27-K60 PolarHBondContact OD2-NZ 2.85Å; D27-Y61 WeakPolarHBondContact CA-OH 3.14Å; D27-Y61 WeakPolarHBondContact CB-OH 3.41Å; D27-Y61 VanDerWaalsContact CG-OH 3.23Å; D27-Y61 PolarHBondContact OD1-OH 3.27Å
28N98.3Very high96.7Very high91 Ų9153.2 Ų53.249%0.48728%0.284SS..Hα-helixtrans-71.6-37.8176.9-64.7-31.3000111.1D25 I26 N31 R32D25-N28 WeakPolarHBondContact O-CA 3.1Å; D25-N28 WeakPolarHBondContact O-CB 3.47Å; D25-N28 PolarHBondContact O-N 3.45Å; I26-N28 VanDerWaalsContact C-N 3.33Å; I26-N28 PolarHBondContact O-N 2.95Å; N28-N31 PolarHBondContact O-N 2.92Å; N28-R32 WeakPolarHBondContact O-CG 3.31Å; N28-R32 PolarHBondContact O-N 2.94Å
29V98.2Very high96.7Very high0 Ų053.4 Ų53.40%028%0.284CS..Hα-helixtrans-59.5-51.3175.7174.10000110.6L17 F22 D25 I26 N31 R32 A33 E236 P237L17-V29 HydrophobicContact CD2-CG1 4.39Å; F22-V29 HydrophobicContact CD1-CG1 4.42Å; F22-V29 HydrophobicContact CD1-CG2 3.86Å; F22-V29 HydrophobicContact CE1-CG1 4.24Å; F22-V29 HydrophobicContact CE1-CG2 4.17Å; D25-V29 WeakPolarHBondContact O-CG2 3.29Å; D25-V29 PolarHBondContact O-N 2.69Å; I26-V29 HydrophobicContact CD1-CB 4.49Å; I26-V29 WeakPolarHBondContact O-CB 3.5Å; I26-V29 PolarHBondContact O-N 3.46Å; V29-N31 VanDerWaalsContact C-N 3.35Å; V29-N31 PolarHBondContact O-N 3.47Å; V29-R32 PolarHBondContact O-N 3.5Å; V29-A33 PolarHBondContact O-N 2.94Å; V29-A33 VanDerWaalsContact O-N 3.08Å; V29-E236 HydrophobicContact CG1-CB 4.16Å; V29-E236 HydrophobicContact CG1-CG 3.95Å; V29-E236 HydrophobicContact CG2-CG 4.35Å; V29-P237 HydrophobicContact CG1-CG 4.47Å
30I97.6Very high96.8Very high0 Ų051.8 Ų51.80%028%0.276CS..Hα-helixtrans-65.1-40179.4-68.7173.6000110.9L17 I26 R32 A33 I34 L57 Y61 W64 I65L17-I30 HydrophobicContact CD1-CG1 4.44Å; I26-I30 HydrophobicContact CD1-CD1 4.05Å; I26-I30 HydrophobicContact CD1-CG1 4.15Å; I26-I30 HydrophobicContact CG1-CD1 3.97Å; I26-I30 HydrophobicContact CG1-CG1 4.44Å; I26-I30 WeakPolarHBondContact O-CG1 3.4Å; I26-I30 PolarHBondContact O-N 3.4Å; I30-R32 PolarHBondContact O-N 2.96Å; I30-A33 PolarHBondContact O-N 2.92Å; I30-I34 HydrophobicContact CG2-CD1 3.75Å; I30-I34 HydrophobicContact CG2-CG1 4.36Å; I30-I34 WeakPolarHBondContact O-CG1 3.4Å; I30-I34 PolarHBondContact O-N 2.88Å; I30-L57 HydrophobicContact CD1-CD1 4.04Å; I30-Y61 HydrophobicContact CB-CE1 4.42Å; I30-Y61 HydrophobicContact CD1-CD1 4.39Å; I30-Y61 HydrophobicContact CD1-CD2 3.46Å; I30-Y61 VanDerWaalsContact CD1-CD2 3.46Å; I30-Y61 HydrophobicContact CD1-CE1 4.4Å; I30-Y61 HydrophobicContact CD1-CE2 3.48Å; I30-Y61 VanDerWaalsContact CD1-CE2 3.48Å; I30-Y61 HydrophobicContact CD1-CG 3.94Å; I30-Y61 HydrophobicContact CG2-CD1 3.89Å; I30-Y61 HydrophobicContact CG2-CE1 3.87Å; I30-Y61 HydrophobicContact CG2-CG 4.38Å; I30-W64 HydrophobicContact CD1-CE3 4.37Å; I30-W64 HydrophobicContact CD1-CZ3 4.26Å; I30-W64 HydrophobicContact CG1-CE3 4.24Å; I30-W64 HydrophobicContact CG1-CH2 4.36Å; I30-W64 HydrophobicContact CG1-CZ3 3.85Å; I30-W64 HydrophobicContact CG2-CD2 4.06Å; I30-W64 HydrophobicContact CG2-CE3 3.96Å; I30-W64 HydrophobicContact CG2-CZ3 4.25Å; I30-I65 HydrophobicContact CD1-CD1 4.3Å
31N97.1Very high97Very high77 Ų7748.3 Ų48.341%0.41225%0.252SS..Hα-helixtrans-63.2-40.3176.9-74.3-24.3000112.3D27 N28 V29 I34 S35D27-N31 WeakPolarHBondContact O-CB 3.42Å; D27-N31 PolarHBondContact O-N 3.27Å; D27-N31 PolarHBondContact O-ND2 3.27Å; D27-N31 VanDerWaalsContact O-ND2 3.09Å; N28-N31 PolarHBondContact O-N 2.92Å; V29-N31 VanDerWaalsContact C-N 3.35Å; V29-N31 PolarHBondContact O-N 3.47Å; N31-I34 PolarHBondContact O-N 3.08Å; N31-S35 WeakPolarHBondContact O-CB 3.5Å; N31-S35 PolarHBondContact O-N 3.21Å; N31-S35 PolarHBondContact O-OG 3.16Å; N31-S35 VanDerWaalsContact O-OG 3.12Å
32R97.5Very high97.2Very high91 Ų9144.3 Ų44.334%0.34323%0.231SC..Hα-helixtrans-60.5-45.4173.5-76.8-172.9-68.2-89.76.7111.6D25 N28 V29 I30 I34 S35 A36 E236D25-R32 IonicContact OD2-NH2 3.92Å; N28-R32 WeakPolarHBondContact O-CG 3.31Å; N28-R32 PolarHBondContact O-N 2.94Å; V29-R32 PolarHBondContact O-N 3.5Å; I30-R32 PolarHBondContact O-N 2.96Å; R32-I34 PolarHBondContact O-N 3.29Å; R32-S35 PolarHBondContact O-N 2.8Å; R32-A36 WeakPolarHBondContact O-CB 3.47Å; R32-A36 PolarHBondContact O-N 3.47Å; R32-E236 IonicContact CZ-OE1 3.27Å; R32-E236 IonicContact CZ-OE2 2.8Å; R32-E236 IonicContact NE-OE1 3.98Å; R32-E236 IonicContact NE-OE2 3.77Å; R32-E236 PolarHBondContact NE-OE2 3.38Å; R32-E236 IonicContact NH2-OE1 2.84Å; R32-E236 PolarHBondContact NH2-OE1 3.41Å; R32-E236 IonicContact NH2-OE2 3.32Å; R32-E236 PolarHBondContact NH2-OE2 2.79Å
33A97.4Very high97.2Very high0 Ų044.2 Ų44.20%023%0.231CC..Hα-helixtrans-59.5-47.417700000112.2V29 I30 S35 A36 N37 V38 W64 P237 D238V29-A33 PolarHBondContact O-N 2.94Å; V29-A33 VanDerWaalsContact O-N 3.08Å; I30-A33 PolarHBondContact O-N 2.92Å; A33-S35 PolarHBondContact O-N 2.84Å; A33-A36 PolarHBondContact O-N 3.39Å; A33-A36 VanDerWaalsContact O-N 3.11Å; A33-N37 PolarHBondContact O-N 3.11Å; A33-V38 HydrophobicContact CB-CB 4.09Å; A33-V38 WeakPolarHBondContact O-CB 3.33Å; A33-V38 PolarHBondContact O-N 3.03Å; A33-W64 HydrophobicContact CB-CH2 4.11Å; A33-W64 HydrophobicContact CB-CZ2 3.62Å; A33-P237 HydrophobicContact CB-CB 3.85Å; A33-D238 HydrophobicContact CB-CB 4.43Å
34I95.9Very high97.4Very high33 Ų3339 Ų3917%0.16920%0.203CC..Hα-helixtrans-59.9-47.4175.8-67.3164.7000110.7I30 N31 R32 A36 N37 W64 K276I30-I34 HydrophobicContact CG2-CD1 3.75Å; I30-I34 HydrophobicContact CG2-CG1 4.36Å; I30-I34 WeakPolarHBondContact O-CG1 3.4Å; I30-I34 PolarHBondContact O-N 2.88Å; N31-I34 PolarHBondContact O-N 3.08Å; R32-I34 PolarHBondContact O-N 3.29Å; I34-A36 PolarHBondContact O-N 3.42Å; I34-N37 PolarHBondContact O-N 2.85Å; I34-W64 HydrophobicContact CG1-CG 4.47Å; I34-K276 HydrophobicContact CD1-CD 3.95Å; I34-K276 HydrophobicContact CG1-CD 4.49Å; I34-K276 HydrophobicContact CG2-CD 4.5Å
35S95.5Very high97.5Very high104 Ų10428.9 Ų28.973%0.72716%0.159SC*.Hα-helixtrans-62.3-24.3177.7-66.20000113.4N31 R32 A33 N37N31-S35 WeakPolarHBondContact O-CB 3.5Å; N31-S35 PolarHBondContact O-N 3.21Å; N31-S35 PolarHBondContact O-OG 3.16Å; N31-S35 VanDerWaalsContact O-OG 3.12Å; R32-S35 PolarHBondContact O-N 2.8Å; A33-S35 PolarHBondContact O-N 2.84Å; S35-N37 VanDerWaalsContact C-N 3.34Å
36A95.8Very high97.5Very high29 Ų2929.2 Ų29.224%0.2416%0.159CC..THydrogen-bonded Turntrans-84.1-2.1175.700000114R32 A33 I34 D238 I241R32-A36 WeakPolarHBondContact O-CB 3.47Å; R32-A36 PolarHBondContact O-N 3.47Å; A33-A36 PolarHBondContact O-N 3.39Å; A33-A36 VanDerWaalsContact O-N 3.11Å; I34-A36 PolarHBondContact O-N 3.42Å; A36-D238 HydrophobicContact CB-CB 3.86Å; A36-I241 HydrophobicContact CB-CG1 4.03Å; A36-I241 VanDerWaalsContact O-CD1 3.22Å; A36-I241 WeakPolarHBondContact O-CD1 3.43Å; A36-I241 VanDerWaalsContact O-CG1 3.26Å; A36-I241 WeakPolarHBondContact O-CG1 3.47Å
37N95.9Very high97.5Very high56 Ų5629.1 Ų29.130%0.29916%0.159SC..THydrogen-bonded Turntrans76.921.4-171.1-49.6-87000115.4N6 V10 A33 I34 S35 H39N6-N37 PolarHBondContact ND2-OD1 3.26Å; V10-N37 PolarHBondContact N-O 3.49Å; A33-N37 PolarHBondContact O-N 3.11Å; I34-N37 PolarHBondContact O-N 2.85Å; S35-N37 VanDerWaalsContact C-N 3.34Å; N37-H39 PolarHBondContact O-N 3.21Å
38V97.5Very high97.3Very high0 Ų031 Ų310%016%0.162CC..EExtended strand (participates in β ladder)trans-84.7102.5164.9-175.20000107.4V10 D12 A33 W64 P237 A240 I241V10-V38 CarbonylContact O-C 3.01Å; V10-V38 WeakPolarHBondContact O-CA 3.44Å; D12-V38 HydrophobicContact CB-CG1 4.24Å; A33-V38 HydrophobicContact CB-CB 4.09Å; A33-V38 WeakPolarHBondContact O-CB 3.33Å; A33-V38 PolarHBondContact O-N 3.03Å; V38-W64 HydrophobicContact CG1-CZ2 4.03Å; V38-W64 PolarHBondContact O-NE1 3.05Å; V38-P237 WeakPolarHBondContact CG2-O 3.33Å; V38-A240 HydrophobicContact CG2-CB 4.12Å; V38-I241 HydrophobicContact CG2-CD1 4Å; V38-I241 HydrophobicContact CG2-CG1 3.99Å
39H96.3Very high97.1Very high12 Ų1232.6 Ų32.66%0.05617%0.17CC..EExtended strand (participates in β ladder)trans-93.5-5.1-169.9-65.5135.6000114.1S9 V10 N37 W64 V275 K276S9-H39 VanDerWaalsContact CB-ND1 3.29Å; S9-H39 WeakPolarHBondContact CB-ND1 3.22Å; S9-H39 PolarHBondContact OG-ND1 3.48Å; V10-H39 PolarHBondContact O-N 2.88Å; N37-H39 PolarHBondContact O-N 3.21Å; H39-W64 VanDerWaalsContact C-NE1 3.32Å; H39-V275 HydrophobicContact CB-CB 4.35Å; H39-V275 CarbonylContact O-C 3Å; H39-V275 VanDerWaalsContact O-CA 3.29Å; H39-V275 WeakPolarHBondContact O-CA 3.36Å; H39-K276 VanDerWaalsContact CB-O 3.32Å; H39-K276 WeakPolarHBondContact CB-O 3.48Å; H39-K276 PolarHBondContact CD2-O 2.85Å; H39-K276 PolarHBondContact O-N 3.19Å
40G97.5Very high97.1Very high0 Ų033 Ų330%017%0.172CC..EExtended strand (participates in β ladder)trans-164.8161.3169.700000111.5I11 D12 W64I11-G40 WeakPolarHBondContact CA-O 3.26Å; D12-G40 PolarHBondContact N-O 3.33Å; G40-W64 VanDerWaalsContact CA-O 3.26Å; G40-W64 WeakPolarHBondContact CA-O 3.49Å
41A98.5Very high97.1Very high0 Ų033.3 Ų33.30%017%0.174CC..EExtended strand (participates in β ladder)trans-134.9144.8172.400000111D12 W64 N66D12-A41 HydrophobicContact CB-CB 4.15Å; D12-A41 CarbonylContact O-C 3.26Å; D12-A41 VanDerWaalsContact O-CA 3.25Å; D12-A41 WeakPolarHBondContact O-CA 3.48Å; A41-W64 HydrophobicContact CB-CE3 4.16Å; A41-W64 HydrophobicContact CB-CH2 3.46Å; A41-W64 VanDerWaalsContact CB-CH2 3.46Å; A41-W64 HydrophobicContact CB-CZ2 4.11Å; A41-W64 HydrophobicContact CB-CZ3 3.49Å; A41-W64 VanDerWaalsContact CB-CZ3 3.49Å; A41-W64 PolarHBondContact N-O 3.17Å; A41-N66 PolarHBondContact O-N 3.39Å
42I98.8Very high97Very high0 Ų033.8 Ų33.80%018%0.183CC..EExtended strand (participates in β ladder)trans-94.4112.5166.2-57.8-179.3000106.7D12 T13 C15 L44 N66 C68 V107 Y270 L273D12-I42 PolarHBondContact O-N 2.94Å; T13-I42 HydrophobicContact CG2-CD1 4.36Å; C15-I42 PolarHBondContact N-O 2.99Å; C15-I42 PolarHBondContact SG-O 2.86Å; I42-L44 HydrophobicContact CG2-CD1 4.25Å; I42-L44 WeakPolarHBondContact O-CD2 3.45Å; I42-N66 CarbonylContact C-O 3.56Å; I42-N66 WeakPolarHBondContact CA-O 3.25Å; I42-N66 HydrophobicContact CG1-CB 4.23Å; I42-C68 HydrophobicContact CG2-CB 4.43Å; I42-C68 WeakPolarHBondContact CG2-SG 3.43Å; I42-V107 HydrophobicContact CG2-CG2 4.36Å; I42-Y270 HydrophobicContact CD1-CD1 3.87Å; I42-Y270 HydrophobicContact CD1-CD2 3.36Å; I42-Y270 HydrophobicContact CD1-CE1 3.86Å; I42-Y270 HydrophobicContact CD1-CE2 3.3Å; I42-Y270 HydrophobicContact CD1-CG 3.65Å; I42-L273 HydrophobicContact CD1-CD2 4.24Å; I42-L273 HydrophobicContact CG1-CD2 4.39Å
43V98.8Very high97Very high0 Ų033.2 Ų33.20%018%0.183CC..EExtended strand (participates in β ladder)trans-97125.4179.9-174.70000109.1C15 L17 V54 L57 I65 N66 C68C15-V43 WeakPolarHBondContact O-CA 3.47Å; L17-V43 HydrophobicContact CB-CG1 4.16Å; L17-V43 HydrophobicContact CB-CG2 4.23Å; L17-V43 HydrophobicContact CD1-CG2 3.94Å; L17-V43 HydrophobicContact CG-CG2 4.22Å; V43-V54 HydrophobicContact CB-CG2 3.92Å; V43-V54 HydrophobicContact CG1-CG2 3.72Å; V43-L57 HydrophobicContact CG2-CD2 4.48Å; V43-I65 HydrophobicContact CG2-CD1 3.71Å; V43-I65 HydrophobicContact CG2-CG2 4.12Å; V43-N66 PolarHBondContact N-O 3.37Å; V43-C68 PolarHBondContact O-N 2.87Å
44L98.7Very high97.1Very high1 Ų133.2 Ų33.21%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-96.8149.7-178.6-62.5-46.3000110.3H14 C15 I42 C68 E111 N149H14-L44 HydrophobicContact CB-CD2 3.98Å; H14-L44 VanDerWaalsContact CD2-CD2 3.49Å; H14-L44 WeakPolarHBondContact CD2-CD2 3.49Å; C15-L44 WeakPolarHBondContact O-CD2 3.17Å; C15-L44 PolarHBondContact O-N 3.03Å; I42-L44 HydrophobicContact CG2-CD1 4.25Å; I42-L44 WeakPolarHBondContact O-CD2 3.45Å; L44-C68 HydrophobicContact CD1-CB 3.38Å; L44-E111 HydrophobicContact CB-CB 4.1Å; L44-E111 HydrophobicContact CG-CB 4.25Å; L44-N149 HydrophobicContact CD1-CB 3.91Å
45T98.5Very high97.2Very high0 Ų033.1 Ų33.10%018%0.182CC..PPolyproline II helixtrans-101.3141.2164.860.20000109.8D50 F51 V54 C68 L69 G70 E111T45-D50 HydrophobicContact CG2-CB 3.75Å; T45-F51 HydrophobicContact CG2-CD1 3.75Å; T45-F51 HydrophobicContact CG2-CE1 4.14Å; T45-F51 WeakPolarHBondContact OG1-CE1 3.5Å; T45-V54 HydrophobicContact CG2-CB 4.24Å; T45-V54 HydrophobicContact CG2-CG1 3.87Å; T45-C68 PolarHBondContact N-O 3.4Å; T45-L69 HydrophobicContact CG2-CD2 3.5Å; T45-L69 WeakPolarHBondContact OG1-CA 3.26Å; T45-G70 PolarHBondContact OG1-N 3.03Å; T45-G70 PolarHBondContact OG1-O 3.38Å; T45-E111 PolarHBondContact O-N 2.79Å
46E97.8Very high97.3Very high39 Ų3936.2 Ų36.218%0.18218%0.182CC..SBendtrans-101.4-28.7174.4-66172.491.700111.4H16 D50 H72 Q75H16-E46 IonicContact ND1-OE2 3.99Å; E46-D50 PolarHBondContact N-OD2 3.35Å; E46-H72 HydrophobicContact CB-CB 3.84Å; E46-H72 HydrophobicContact CG-CB 4.22Å; E46-H72 WeakPolarHBondContact O-CB 3.45Å; E46-H72 PolarHBondContact O-N 3.44Å; E46-Q75 PolarHBondContact O-NE2 2.95Å
47N97Very high97.3Very high22 Ų2235.5 Ų35.512%0.11817%0.174CC..SBendtrans-147169.3-177.57084.5000111.7N49 D50 F51N47-N49 PolarHBondContact O-N 3.08Å; N47-N49 VanDerWaalsContact O-N 3.15Å; N47-N49 WeakPolarHBondContact OD1-CA 3.02Å; N47-N49 WeakPolarHBondContact OD1-CB 3.2Å; N47-N49 PolarHBondContact OD1-N 2.83Å; N47-D50 PolarHBondContact N-OD2 3.31Å; N47-D50 PolarHBondContact ND2-OD1 3.47Å; N47-D50 PolarHBondContact ND2-OD2 3.06Å; N47-D50 WeakPolarHBondContact O-CB 3.29Å; N47-D50 PolarHBondContact O-N 2.83Å; N47-F51 WeakPolarHBondContact O-CD1 3.48Å
48R95.3Very high97.4Very high97 Ų9734.2 Ų34.237%0.36617%0.166SC..Hα-helixtrans-61.2-25.9-176-66.2-174.6-64.7146.59.1114.3D50 F51 I71 D91 K93R48-D50 PolarHBondContact O-N 3.44Å; R48-F51 PolarHBondContact O-N 3.31Å; R48-I71 HydrophobicContact CG-CD1 3.63Å; R48-D91 VanDerWaalsContact CD-O 3.23Å; R48-D91 WeakPolarHBondContact CD-O 3.39Å; R48-D91 WeakPolarHBondContact CG-O 3.39Å; R48-D91 PolarHBondContact NE-O 2.99Å; R48-K93 WeakPolarHBondContact CD-O 3.26Å; R48-K93 PolarHBondContact NH1-O 3.01Å
49N93.8Very high97.4Very high123 Ų12343.1 Ų43.166%0.65821%0.205SC*.Hα-helixtrans-70.6-22.7179.1-59.2-33.9000111.7N47 F51N47-N49 PolarHBondContact O-N 3.08Å; N47-N49 VanDerWaalsContact O-N 3.15Å; N47-N49 WeakPolarHBondContact OD1-CA 3.02Å; N47-N49 WeakPolarHBondContact OD1-CB 3.2Å; N47-N49 PolarHBondContact OD1-N 2.83Å; N49-F51 VanDerWaalsContact C-N 3.29Å; N49-F51 PolarHBondContact O-N 2.84Å
50D97.1Very high97.4Very high8 Ų848 Ų484%0.04323%0.226CC..Hα-helixtrans-75.1-21.1-179.7-53-28.6000112C18 T45 E46 N47 R48 S52 K53 V54C18-D50 HydrophobicContact CB-CB 4.38Å; T45-D50 HydrophobicContact CG2-CB 3.75Å; E46-D50 PolarHBondContact N-OD2 3.35Å; N47-D50 PolarHBondContact N-OD2 3.31Å; N47-D50 PolarHBondContact ND2-OD1 3.47Å; N47-D50 PolarHBondContact ND2-OD2 3.06Å; N47-D50 WeakPolarHBondContact O-CB 3.29Å; N47-D50 PolarHBondContact O-N 2.83Å; R48-D50 PolarHBondContact O-N 3.44Å; D50-S52 PolarHBondContact O-N 2.88Å; D50-K53 WeakPolarHBondContact O-CB 3.35Å; D50-K53 PolarHBondContact O-N 2.79Å; D50-V54 PolarHBondContact O-N 2.88Å
51F97.4Very high97.4Very high7 Ų749.7 Ų49.73%0.03123%0.232CC..Hα-helixtrans-60.4-48.1-173.2-71.919.2000110.8T45 N47 R48 N49 K53 V54 F55 L69 I71 T95 I98T45-F51 HydrophobicContact CG2-CD1 3.75Å; T45-F51 HydrophobicContact CG2-CE1 4.14Å; T45-F51 WeakPolarHBondContact OG1-CE1 3.5Å; N47-F51 WeakPolarHBondContact O-CD1 3.48Å; R48-F51 PolarHBondContact O-N 3.31Å; N49-F51 VanDerWaalsContact C-N 3.29Å; N49-F51 PolarHBondContact O-N 2.84Å; F51-K53 VanDerWaalsContact C-N 3.3Å; F51-K53 PolarHBondContact O-N 3.32Å; F51-V54 WeakPolarHBondContact O-CG1 3.43Å; F51-V54 PolarHBondContact O-N 2.88Å; F51-F55 WeakPolarHBondContact O-CD2 3.29Å; F51-F55 PolarHBondContact O-N 3.41Å; F51-L69 HydrophobicContact CD1-CD2 3.98Å; F51-L69 HydrophobicContact CE1-CD2 4.25Å; F51-L69 HydrophobicContact CG-CD2 4.19Å; F51-L69 HydrophobicContact CZ-CB 4.47Å; F51-I71 HydrophobicContact CE1-CD1 4.11Å; F51-I71 HydrophobicContact CZ-CD1 3.98Å; F51-T95 HydrophobicContact CE2-CG2 4.18Å; F51-T95 HydrophobicContact CZ-CG2 3.96Å; F51-I98 HydrophobicContact CD2-CB 4.15Å; F51-I98 HydrophobicContact CD2-CD1 3.97Å; F51-I98 HydrophobicContact CD2-CG2 3.73Å; F51-I98 HydrophobicContact CE2-CB 4.33Å; F51-I98 HydrophobicContact CE2-CD1 4.38Å; F51-I98 HydrophobicContact CE2-CG2 4.31Å
52S96.4Very high97.3Very high88 Ų8852.6 Ų52.662%0.61525%0.251SS*.Hα-helixtrans-64.7-34.8177.368.50000112.8D50 K56D50-S52 PolarHBondContact O-N 2.88Å; S52-K56 WeakPolarHBondContact O-CB 3.4Å; S52-K56 PolarHBondContact O-N 2.95Å; S52-K56 VanDerWaalsContact O-N 3.16Å
53K97.4Very high97.1Very high78 Ų7857.3 Ų57.334%0.33928%0.277SS..Hα-helixtrans-69.5-43.9-179.5-63.1-178.8177.5-177.80111.2C18 D50 F51 F55 K56 L57C18-K53 HydrophobicContact CB-CB 3.89Å; C18-K53 HydrophobicContact CB-CD 4.07Å; C18-K53 WeakPolarHBondContact O-CD 3.39Å; C18-K53 PolarHBondContact O-NZ 3.11Å; C18-K53 VanDerWaalsContact O-NZ 3.12Å; D50-K53 WeakPolarHBondContact O-CB 3.35Å; D50-K53 PolarHBondContact O-N 2.79Å; F51-K53 VanDerWaalsContact C-N 3.3Å; F51-K53 PolarHBondContact O-N 3.32Å; K53-F55 PolarHBondContact O-N 2.88Å; K53-K56 WeakPolarHBondContact O-CB 3.35Å; K53-K56 PolarHBondContact O-N 3.1Å; K53-L57 WeakPolarHBondContact O-CB 3.42Å; K53-L57 PolarHBondContact O-N 3.35Å
54V98.1Very high97.1Very high0 Ų057.5 Ų57.50%028%0.277CS..Hα-helixtrans-67.9-38.2-176.6810000111.4C18 V43 T45 D50 F51 L57 K58 I67 L69C18-V54 WeakPolarHBondContact SG-CA 3.25Å; C18-V54 PolarHBondContact SG-N 3.49Å; C18-V54 VanDerWaalsContact SG-N 3.4Å; V43-V54 HydrophobicContact CB-CG2 3.92Å; V43-V54 HydrophobicContact CG1-CG2 3.72Å; T45-V54 HydrophobicContact CG2-CB 4.24Å; T45-V54 HydrophobicContact CG2-CG1 3.87Å; D50-V54 PolarHBondContact O-N 2.88Å; F51-V54 WeakPolarHBondContact O-CG1 3.43Å; F51-V54 PolarHBondContact O-N 2.88Å; V54-L57 PolarHBondContact O-N 3.48Å; V54-K58 WeakPolarHBondContact O-CB 3.44Å; V54-K58 PolarHBondContact O-N 3Å; V54-I67 HydrophobicContact CG1-CD1 4.15Å; V54-I67 HydrophobicContact CG1-CG1 4.43Å; V54-I67 HydrophobicContact CG1-CG2 3.67Å; V54-I67 HydrophobicContact CG2-CB 4.46Å; V54-I67 HydrophobicContact CG2-CD1 4.32Å; V54-I67 HydrophobicContact CG2-CG1 3.91Å; V54-I67 HydrophobicContact CG2-CG2 4.01Å; V54-L69 HydrophobicContact CG1-CD2 3.81Å
55F98Very high97Very high32 Ų3257.4 Ų57.414%0.1428%0.277CS..Hα-helixtrans-66.5-37.9173.1-70.5-58.4000112.7F51 K53 L57 K58 K59 I67 L69 H102 E105 I106F51-F55 WeakPolarHBondContact O-CD2 3.29Å; F51-F55 PolarHBondContact O-N 3.41Å; K53-F55 PolarHBondContact O-N 2.88Å; F55-L57 VanDerWaalsContact C-N 3.32Å; F55-L57 PolarHBondContact O-N 2.94Å; F55-K58 PolarHBondContact O-N 2.85Å; F55-K59 WeakPolarHBondContact O-CB 3.42Å; F55-K59 PolarHBondContact O-N 3.31Å; F55-I67 HydrophobicContact CD1-CD1 3.54Å; F55-I67 HydrophobicContact CE1-CD1 3.68Å; F55-I67 HydrophobicContact CG-CD1 4.43Å; F55-L69 HydrophobicContact CE2-CD1 4.1Å; F55-L69 HydrophobicContact CZ-CD1 3.78Å; F55-H102 HydrophobicContact CE1-CB 3.87Å; F55-H102 AromaticContact CE1-CG 3.87Å; F55-H102 AromaticContact CE1-ND1 3.82Å; F55-H102 HydrophobicContact CE2-CB 4.21Å; F55-H102 AromaticContact CE2-CD2 3.71Å; F55-H102 AromaticContact CE2-CG 3.74Å; F55-H102 HydrophobicContact CZ-CB 3.34Å; F55-H102 AromaticContact CZ-CD2 3.75Å; F55-H102 AromaticContact CZ-CG 3.29Å; F55-H102 AromaticContact CZ-ND1 3.65Å; F55-E105 HydrophobicContact CE1-CB 4.01Å; F55-I106 HydrophobicContact CZ-CG2 4.45Å
56K97.6Very high97Very high168 Ų16857.5 Ų57.573%0.7328%0.277SS*.Hα-helixtrans-62.4-41.5173-174.7-179.1177.3-174.80111.2S52 K53 K59 K60S52-K56 WeakPolarHBondContact O-CB 3.4Å; S52-K56 PolarHBondContact O-N 2.95Å; S52-K56 VanDerWaalsContact O-N 3.16Å; K53-K56 WeakPolarHBondContact O-CB 3.35Å; K53-K56 PolarHBondContact O-N 3.1Å; K56-K59 PolarHBondContact O-N 2.99Å; K56-K60 PolarHBondContact O-N 2.71Å
57L97.6Very high97.1Very high15 Ų1555.6 Ų55.68%0.07927%0.268CS..Hα-helixtrans-65.6-44.7177.5-169.762.8000111.4L17 I26 I30 V43 K53 V54 F55 K59 K60 Y61 I65L17-L57 HydrophobicContact CB-CD2 3.62Å; L17-L57 HydrophobicContact CD1-CD2 4.37Å; I26-L57 HydrophobicContact CD1-CD1 4.49Å; I26-L57 HydrophobicContact CG1-CD1 3.77Å; I30-L57 HydrophobicContact CD1-CD1 4.04Å; V43-L57 HydrophobicContact CG2-CD2 4.48Å; K53-L57 WeakPolarHBondContact O-CB 3.42Å; K53-L57 PolarHBondContact O-N 3.35Å; V54-L57 PolarHBondContact O-N 3.48Å; F55-L57 VanDerWaalsContact C-N 3.32Å; F55-L57 PolarHBondContact O-N 2.94Å; L57-K59 VanDerWaalsContact C-N 3.35Å; L57-K59 PolarHBondContact O-N 3.1Å; L57-K60 WeakPolarHBondContact O-CB 3.4Å; L57-K60 PolarHBondContact O-N 3.3Å; L57-K60 VanDerWaalsContact O-N 3.08Å; L57-Y61 HydrophobicContact CD1-CD2 3.96Å; L57-Y61 HydrophobicContact CD1-CE2 4.22Å; L57-Y61 PolarHBondContact O-N 3.04Å; L57-I65 HydrophobicContact CD2-CD1 3.7Å; L57-I65 HydrophobicContact CD2-CG1 4.42Å; L57-I65 HydrophobicContact CG-CD1 3.84Å; L57-I65 HydrophobicContact CG-CG1 4.04Å
58K97.7Very high97.1Very high29 Ų2954.6 Ų54.613%0.12626%0.263CS..Hα-helixtrans-58.8-42.3173.617564.1172.9177.20112.8V54 F55 K60 Y61 P62 I65 I67 N274V54-K58 WeakPolarHBondContact O-CB 3.44Å; V54-K58 PolarHBondContact O-N 3Å; F55-K58 PolarHBondContact O-N 2.85Å; K58-K60 PolarHBondContact O-N 3.15Å; K58-Y61 CarbonylContact O-C 3.51Å; K58-Y61 PolarHBondContact O-N 2.74Å; K58-P62 PolarHBondContact NZ-O 3.12Å; K58-P62 WeakPolarHBondContact O-CA 3.21Å; K58-I65 HydrophobicContact CB-CB 4.45Å; K58-I65 HydrophobicContact CB-CG2 3.98Å; K58-I65 HydrophobicContact CD-CB 4.13Å; K58-I65 HydrophobicContact CD-CG2 4.19Å; K58-I65 WeakPolarHBondContact CD-O 3.43Å; K58-I65 WeakPolarHBondContact CE-O 3.18Å; K58-I65 PolarHBondContact NZ-O 3.47Å; K58-I67 HydrophobicContact CB-CD1 3.66Å; K58-I67 HydrophobicContact CB-CG1 4.26Å; K58-I67 HydrophobicContact CG-CD1 3.92Å; K58-N274 VanDerWaalsContact NZ-CG 3.34Å; K58-N274 PolarHBondContact NZ-ND2 3.24Å
59K97.3Very high97.3Very high186 Ų18650 Ų5081%0.80925%0.245SC*.Hα-helixtrans-61.7-34.1175.4-174.9175.8-179.8177.30112.3F55 K56 L57F55-K59 WeakPolarHBondContact O-CB 3.42Å; F55-K59 PolarHBondContact O-N 3.31Å; K56-K59 PolarHBondContact O-N 2.99Å; L57-K59 VanDerWaalsContact C-N 3.35Å; L57-K59 PolarHBondContact O-N 3.1Å
60K97Very high97.5Very high115 Ų11544.1 Ų44.150%0.521%0.214SC..Hα-helixtrans-77.2-34.1178.8-168.1172.4-179.3177.10112.6D27 K56 L57 K58D27-K60 WeakPolarHBondContact OD1-CE 3.49Å; D27-K60 IonicContact OD1-NZ 2.58Å; D27-K60 PolarHBondContact OD1-NZ 2.91Å; D27-K60 IonicContact OD2-NZ 2.68Å; D27-K60 PolarHBondContact OD2-NZ 2.85Å; K56-K60 PolarHBondContact O-N 2.71Å; L57-K60 WeakPolarHBondContact O-CB 3.4Å; L57-K60 PolarHBondContact O-N 3.3Å; L57-K60 VanDerWaalsContact O-N 3.08Å; K58-K60 PolarHBondContact O-N 3.15Å
61Y97Very high97.6Very high35 Ų3543.8 Ų43.814%0.13721%0.212CC..SBendtrans-129.665-177.9-62.1-80.1000111.5D27 I30 L57 K58 D63 W64 I65D27-Y61 WeakPolarHBondContact CA-OH 3.14Å; D27-Y61 WeakPolarHBondContact CB-OH 3.41Å; D27-Y61 VanDerWaalsContact CG-OH 3.23Å; D27-Y61 PolarHBondContact OD1-OH 3.27Å; I30-Y61 HydrophobicContact CB-CE1 4.42Å; I30-Y61 HydrophobicContact CD1-CD1 4.39Å; I30-Y61 HydrophobicContact CD1-CD2 3.46Å; I30-Y61 VanDerWaalsContact CD1-CD2 3.46Å; I30-Y61 HydrophobicContact CD1-CE1 4.4Å; I30-Y61 HydrophobicContact CD1-CE2 3.48Å; I30-Y61 VanDerWaalsContact CD1-CE2 3.48Å; I30-Y61 HydrophobicContact CD1-CG 3.94Å; I30-Y61 HydrophobicContact CG2-CD1 3.89Å; I30-Y61 HydrophobicContact CG2-CE1 3.87Å; I30-Y61 HydrophobicContact CG2-CG 4.38Å; L57-Y61 HydrophobicContact CD1-CD2 3.96Å; L57-Y61 HydrophobicContact CD1-CE2 4.22Å; L57-Y61 PolarHBondContact O-N 3.04Å; K58-Y61 CarbonylContact O-C 3.51Å; K58-Y61 PolarHBondContact O-N 2.74Å; Y61-D63 PolarHBondContact O-N 2.73Å; Y61-W64 PolarHBondContact O-N 2.87Å; Y61-I65 PolarHBondContact O-N 3.1Å
62P96.3Very high97.7Very high61 Ų6144 Ų4440%0.39621%0.214SC..THydrogen-bonded Turntrans-61.8-31.9-17124.3-34.5000113.1K58 N274K58-P62 PolarHBondContact NZ-O 3.12Å; K58-P62 WeakPolarHBondContact O-CA 3.21Å; P62-N274 WeakPolarHBondContact O-CB 3.46Å
63D95.1Very high97.8Very high100 Ų10039.9 Ų39.954%0.53519%0.185SC..THydrogen-bonded Turntrans-94.58.7-175.5-52.8-46.8000113.7Y61 N274 V275 K276Y61-D63 PolarHBondContact O-N 2.73Å; D63-N274 CarbonylContact O-C 3.22Å; D63-V275 CarbonylContact O-C 3.42Å; D63-V275 VanDerWaalsContact O-CA 3.27Å; D63-V275 WeakPolarHBondContact O-CA 3.43Å; D63-V275 PolarHBondContact O-N 3.26Å; D63-K276 PolarHBondContact O-N 3.17Å
64W97Very high97.8Very high3 Ų336.7 Ų36.71%0.01117%0.172CC..THydrogen-bonded Turntrans-133.4-36.4-175.7-16587.3000113L17 I30 A33 I34 V38 H39 G40 A41 Y61 P237L17-W64 HydrophobicContact CD1-CH2 4.3Å; L17-W64 HydrophobicContact CD1-CZ3 3.76Å; I30-W64 HydrophobicContact CD1-CE3 4.37Å; I30-W64 HydrophobicContact CD1-CZ3 4.26Å; I30-W64 HydrophobicContact CG1-CE3 4.24Å; I30-W64 HydrophobicContact CG1-CH2 4.36Å; I30-W64 HydrophobicContact CG1-CZ3 3.85Å; I30-W64 HydrophobicContact CG2-CD2 4.06Å; I30-W64 HydrophobicContact CG2-CE3 3.96Å; I30-W64 HydrophobicContact CG2-CZ3 4.25Å; A33-W64 HydrophobicContact CB-CH2 4.11Å; A33-W64 HydrophobicContact CB-CZ2 3.62Å; I34-W64 HydrophobicContact CG1-CG 4.47Å; V38-W64 HydrophobicContact CG1-CZ2 4.03Å; V38-W64 PolarHBondContact O-NE1 3.05Å; H39-W64 VanDerWaalsContact C-NE1 3.32Å; G40-W64 VanDerWaalsContact CA-O 3.26Å; G40-W64 WeakPolarHBondContact CA-O 3.49Å; A41-W64 HydrophobicContact CB-CE3 4.16Å; A41-W64 HydrophobicContact CB-CH2 3.46Å; A41-W64 VanDerWaalsContact CB-CH2 3.46Å; A41-W64 HydrophobicContact CB-CZ2 4.11Å; A41-W64 HydrophobicContact CB-CZ3 3.49Å; A41-W64 VanDerWaalsContact CB-CZ3 3.49Å; A41-W64 PolarHBondContact N-O 3.17Å; Y61-W64 PolarHBondContact O-N 2.87Å; W64-P237 HydrophobicContact CH2-CB 3.94Å; W64-P237 HydrophobicContact CH2-CG 4.07Å; W64-P237 HydrophobicContact CZ2-CB 4.4Å
65I98.1Very high97.7Very high0 Ų037.3 Ų37.30%018%0.175CC..EExtended strand (participates in β ladder)trans-85.7130.5180-62.2-72.8000109.9L17 I30 V43 L57 K58 Y61 I67L17-I65 HydrophobicContact CD1-CD1 4.06Å; I30-I65 HydrophobicContact CD1-CD1 4.3Å; V43-I65 HydrophobicContact CG2-CD1 3.71Å; V43-I65 HydrophobicContact CG2-CG2 4.12Å; L57-I65 HydrophobicContact CD2-CD1 3.7Å; L57-I65 HydrophobicContact CD2-CG1 4.42Å; L57-I65 HydrophobicContact CG-CD1 3.84Å; L57-I65 HydrophobicContact CG-CG1 4.04Å; K58-I65 HydrophobicContact CB-CB 4.45Å; K58-I65 HydrophobicContact CB-CG2 3.98Å; K58-I65 HydrophobicContact CD-CB 4.13Å; K58-I65 HydrophobicContact CD-CG2 4.19Å; K58-I65 WeakPolarHBondContact CD-O 3.43Å; K58-I65 WeakPolarHBondContact CE-O 3.18Å; K58-I65 PolarHBondContact NZ-O 3.47Å; Y61-I65 PolarHBondContact O-N 3.1Å; I65-I67 HydrophobicContact CG2-CG1 4.25Å
66N98.6Very high97.6Very high1 Ų141.9 Ų41.91%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-121.2141.6168.2-61.3-78.2000108.1A41 I42 V43 V107 L273 N274A41-N66 PolarHBondContact O-N 3.39Å; I42-N66 CarbonylContact C-O 3.56Å; I42-N66 WeakPolarHBondContact CA-O 3.25Å; I42-N66 HydrophobicContact CG1-CB 4.23Å; V43-N66 PolarHBondContact N-O 3.37Å; N66-V107 HydrophobicContact CB-CG1 4.03Å; N66-V107 HydrophobicContact CB-CG2 3.9Å; N66-L273 HydrophobicContact CB-CD2 4.08Å; N66-N274 PolarHBondContact ND2-O 3.46Å; N66-N274 WeakPolarHBondContact OD1-CB 3.32Å; N66-N274 PolarHBondContact OD1-N 3.44Å; N66-N274 PolarHBondContact OD1-ND2 2.86Å
67I98.6Very high97.3Very high0 Ų037.5 Ų37.50%018%0.177CC..EExtended strand (participates in β ladder)trans-111130.4-167.8-56.5174.8000110.2V54 F55 K58 I65 L69 I106 V107V54-I67 HydrophobicContact CG1-CD1 4.15Å; V54-I67 HydrophobicContact CG1-CG1 4.43Å; V54-I67 HydrophobicContact CG1-CG2 3.67Å; V54-I67 HydrophobicContact CG2-CB 4.46Å; V54-I67 HydrophobicContact CG2-CD1 4.32Å; V54-I67 HydrophobicContact CG2-CG1 3.91Å; V54-I67 HydrophobicContact CG2-CG2 4.01Å; F55-I67 HydrophobicContact CD1-CD1 3.54Å; F55-I67 HydrophobicContact CE1-CD1 3.68Å; F55-I67 HydrophobicContact CG-CD1 4.43Å; K58-I67 HydrophobicContact CB-CD1 3.66Å; K58-I67 HydrophobicContact CB-CG1 4.26Å; K58-I67 HydrophobicContact CG-CD1 3.92Å; I65-I67 HydrophobicContact CG2-CG1 4.25Å; I67-L69 HydrophobicContact CG2-CD2 3.7Å; I67-L69 HydrophobicContact CG2-CG 3.91Å; I67-I106 HydrophobicContact CB-CG2 4.19Å; I67-I106 HydrophobicContact CG2-CG2 3.94Å; I67-I106 CarbonylContact O-C 3.55Å; I67-I106 WeakPolarHBondContact O-CA 3.49Å; I67-I106 WeakPolarHBondContact O-CB 3.45Å; I67-V107 WeakPolarHBondContact O-CG2 3.28Å; I67-V107 PolarHBondContact O-N 3.33Å
68C98.8Very high96.9Very high0 Ų045.8 Ų45.80%022%0.215CC..EExtended strand (participates in β ladder)trans-106.9140.6152.6-66.90000109.2I42 V43 L44 T45 G108 G110I42-C68 HydrophobicContact CG2-CB 4.43Å; I42-C68 WeakPolarHBondContact CG2-SG 3.43Å; V43-C68 PolarHBondContact O-N 2.87Å; L44-C68 HydrophobicContact CD1-CB 3.38Å; T45-C68 PolarHBondContact N-O 3.4Å; C68-G108 VanDerWaalsContact CA-O 3.29Å; C68-G108 WeakPolarHBondContact CA-O 3.49Å; C68-G108 VanDerWaalsContact SG-CA 3.57Å; C68-G110 CarbonylContact C-O 3.47Å; C68-G110 WeakPolarHBondContact CB-O 3.38Å; C68-G110 VanDerWaalsContact O-O 3.12Å
69L98.7Very high96.4Very high0 Ų048.7 Ų48.70%025%0.253CS..EExtended strand (participates in β ladder)trans-113.4138.1173.1-67.2-174.9000110.7T45 F51 V54 F55 I67 I99 I106 G108 I109 G110T45-L69 HydrophobicContact CG2-CD2 3.5Å; T45-L69 WeakPolarHBondContact OG1-CA 3.26Å; F51-L69 HydrophobicContact CD1-CD2 3.98Å; F51-L69 HydrophobicContact CE1-CD2 4.25Å; F51-L69 HydrophobicContact CG-CD2 4.19Å; F51-L69 HydrophobicContact CZ-CB 4.47Å; V54-L69 HydrophobicContact CG1-CD2 3.81Å; F55-L69 HydrophobicContact CE2-CD1 4.1Å; F55-L69 HydrophobicContact CZ-CD1 3.78Å; I67-L69 HydrophobicContact CG2-CD2 3.7Å; I67-L69 HydrophobicContact CG2-CG 3.91Å; L69-I99 HydrophobicContact CB-CD1 4.2Å; L69-I99 HydrophobicContact CB-CG1 3.81Å; L69-I99 HydrophobicContact CD1-CG1 3.99Å; L69-I106 HydrophobicContact CD1-CG2 3.85Å; L69-I106 HydrophobicContact CG-CG2 3.79Å; L69-G108 PolarHBondContact N-O 3.47Å; L69-I109 CarbonylContact O-C 3.57Å; L69-I109 VanDerWaalsContact O-CA 3.26Å; L69-I109 WeakPolarHBondContact O-CA 3.41Å; L69-I109 WeakPolarHBondContact O-CG2 3.38Å; L69-G110 CarbonylContact C-O 3.59Å; L69-G110 WeakPolarHBondContact CA-O 3.35Å; L69-G110 PolarHBondContact N-O 3.43Å; L69-G110 PolarHBondContact O-N 3.26Å
70G98.5Very high95.8Very high0 Ų042 Ų420%023%0.227CC..  trans-177.1170-175.300000111.5T45 G110T45-G70 PolarHBondContact OG1-N 3.03Å; T45-G70 PolarHBondContact OG1-O 3.38Å; G70-G110 PolarHBondContact N-O 3.36Å; G70-G110 VanDerWaalsContact N-O 3.07Å
71I98.7Very high94.9Very high1 Ų142.1 Ų42.11%0.00523%0.229CC..  trans-120.4117.8173.7-56.4-63.5000107.8R48 F51 V87 D91 L92 T95 E111 Q137R48-I71 HydrophobicContact CG-CD1 3.63Å; F51-I71 HydrophobicContact CE1-CD1 4.11Å; F51-I71 HydrophobicContact CZ-CD1 3.98Å; I71-V87 HydrophobicContact CG2-CG2 3.72Å; I71-D91 HydrophobicContact CG2-CB 3.97Å; I71-L92 HydrophobicContact CB-CD2 3.98Å; I71-L92 HydrophobicContact CG1-CD2 3.88Å; I71-T95 HydrophobicContact CD1-CG2 4.41Å; I71-T95 HydrophobicContact CG1-CG2 3.83Å; I71-E111 CarbonylContact C-O 3.49Å; I71-E111 VanDerWaalsContact C-O 3.22Å; I71-E111 PolarHBondContact N-O 3.04Å; I71-Q137 PolarHBondContact O-NE2 3.17Å
72H98.7Very high94.3Very high12 Ų1246.1 Ų46.16%0.05625%0.254CS..  trans-68.8146.2-176.7-175.3-100.6000111.5E46 V74 Q75 E111 H151E46-H72 HydrophobicContact CB-CB 3.84Å; E46-H72 HydrophobicContact CG-CB 4.22Å; E46-H72 WeakPolarHBondContact O-CB 3.45Å; E46-H72 PolarHBondContact O-N 3.44Å; H72-V74 WeakPolarHBondContact ND1-CB 3.23Å; H72-V74 PolarHBondContact ND1-N 3.46Å; H72-V74 PolarHBondContact ND1-O 3.03Å; H72-V74 VanDerWaalsContact ND1-O 3.1Å; H72-V74 PolarHBondContact O-N 3.39Å; H72-V74 VanDerWaalsContact O-N 3.13Å; H72-Q75 PolarHBondContact O-NE2 3.34Å; H72-E111 WeakPolarHBondContact CA-O 3.48Å; H72-E111 IonicContact CD2-OE1 3.64Å; H72-E111 IonicContact CD2-OE2 3.65Å; H72-E111 PolarHBondContact CD2-OE2 3.03Å; H72-E111 PolarHBondContact N-O 3.25Å; H72-E111 IonicContact NE2-OE1 3.99Å; H72-E111 IonicContact NE2-OE2 3.57Å; H72-H151 AromaticContact CD2-CG 3.98Å; H72-H151 AromaticContact NE2-CD2 3.71Å; H72-H151 AromaticContact NE2-CE1 3.43Å; H72-H151 PolarHBondContact NE2-CE1 3.15Å; H72-H151 AromaticContact NE2-CG 3.28Å; H72-H151 VanDerWaalsContact NE2-CG 3.28Å; H72-H151 AromaticContact NE2-ND1 3.11Å; H72-H151 PolarHBondContact NE2-ND1 3.26Å; H72-H151 VanDerWaalsContact NE2-ND1 3.11Å; H72-H151 AromaticContact NE2-NE2 3.81Å
73P98.5Very high94.1Very high1 Ų144.6 Ų44.61%0.00625%0.249CC..SBendtrans-58.4-23.6177.321.5-35.1000114.5S86 V87 D115 Q130 H151P73-S86 CarbonylContact O-C 3.45Å; P73-S86 WeakPolarHBondContact O-CA 3.35Å; P73-V87 WeakPolarHBondContact O-CB 3.26Å; P73-V87 PolarHBondContact O-N 3.01Å; P73-D115 HydrophobicContact CB-CB 4.12Å; P73-D115 HydrophobicContact CG-CB 3.99Å; P73-Q130 HydrophobicContact CB-CG 4.45Å; P73-H151 HydrophobicContact CG-CB 4.17Å
74V97.6Very high94.2Very high11 Ų1143.8 Ų43.87%0.06724%0.242CC..EExtended strand (participates in β ladder)trans-105.1128.3175.5-167.70000110.2H72 Q84 R85 D115 I120H72-V74 WeakPolarHBondContact ND1-CB 3.23Å; H72-V74 PolarHBondContact ND1-N 3.46Å; H72-V74 PolarHBondContact ND1-O 3.03Å; H72-V74 VanDerWaalsContact ND1-O 3.1Å; H72-V74 PolarHBondContact O-N 3.39Å; H72-V74 VanDerWaalsContact O-N 3.13Å; V74-Q84 HydrophobicContact CG1-CB 3.78Å; V74-Q84 HydrophobicContact CG1-CG 4.02Å; V74-R85 WeakPolarHBondContact CA-O 3.23Å; V74-D115 HydrophobicContact CG2-CB 3.68Å; V74-D115 WeakPolarHBondContact CG2-OD2 3.14Å; V74-I120 HydrophobicContact CG1-CD1 3.88Å; V74-I120 HydrophobicContact CG1-CG1 4.28Å; V74-I120 HydrophobicContact CG1-CG2 4.29Å; V74-I120 HydrophobicContact CG2-CG1 4.42Å; V74-I120 HydrophobicContact CG2-CG2 3.94Å
75Q97.3Very high94.1Very high14 Ų1445.4 Ų45.47%0.06525%0.248CC..EExtended strand (participates in β ladder)trans-122.5145.7-180-63.5-65-62.200110.8E46 H72 Q84 R85 V87 D91E46-Q75 PolarHBondContact O-NE2 2.95Å; H72-Q75 PolarHBondContact O-NE2 3.34Å; Q75-Q84 CarbonylContact O-C 3.13Å; Q75-Q84 WeakPolarHBondContact O-CA 3.35Å; Q75-R85 HydrophobicContact CB-CG 4.34Å; Q75-R85 PolarHBondContact N-O 2.8Å; Q75-R85 WeakPolarHBondContact O-CG 3.33Å; Q75-R85 PolarHBondContact O-N 2.79Å; Q75-V87 HydrophobicContact CG-CB 3.96Å; Q75-V87 HydrophobicContact CG-CG2 3.95Å; Q75-D91 HydrophobicContact CG-CB 4.41Å
76K94.1Very high94.1Very high127 Ų12745.8 Ų45.855%0.55225%0.251SS*.EExtended strand (participates in β ladder)trans-70.6132.3176.3-63.5176.4-176.3169.80110.2E19 G83E19-K76 IonicContact OE1-NZ 3.63Å; E19-K76 PolarHBondContact OE1-NZ 2.9Å; E19-K76 IonicContact OE2-NZ 3.46Å; E19-K76 PolarHBondContact OE2-NZ 3.42Å; K76-G83 CarbonylContact C-O 3.56Å; K76-G83 WeakPolarHBondContact CA-O 3.29Å
77Q92.1Very high94.1Very high77 Ų7745.9 Ų45.936%0.3625%0.251SS..  trans-149.9120.4172.1-179.1169.8-52.800110.4T80 G83 R85Q77-T80 HydrophobicContact CB-CG2 4.09Å; Q77-T80 HydrophobicContact CG-CG2 3.93Å; Q77-T80 PolarHBondContact O-OG1 2.69Å; Q77-G83 PolarHBondContact N-O 3.38Å; Q77-G83 CarbonylContact O-C 3.21Å; Q77-G83 VanDerWaalsContact O-CA 3.26Å; Q77-G83 WeakPolarHBondContact O-CA 3.29Å; Q77-R85 HydrophobicContact CB-CB 4.47Å; Q77-R85 HydrophobicContact CB-CG 3.79Å
78E89.6Confident94Very high189 Ų18947.6 Ų47.688%0.88326%0.26SS*.THydrogen-bonded Turntrans-62.2146.5172.8-68.1-177.1177.300111.6T80E78-T80 VanDerWaalsContact C-N 3.33Å; E78-T80 PolarHBondContact O-N 3.06Å
79G88Confident94Very high89 Ų8952.1 Ų52.192%0.91828%0.282SS*.THydrogen-bonded Turntrans81.72.9179.300000115.4
80T84.1Confident93.9Very high45 Ų4557.7 Ų57.728%0.27631%0.307SS..SBendtrans-99.4169169.765.60000111.8Q77 E78 N82 G83 Q84 R85Q77-T80 HydrophobicContact CB-CG2 4.09Å; Q77-T80 HydrophobicContact CG-CG2 3.93Å; Q77-T80 PolarHBondContact O-OG1 2.69Å; E78-T80 VanDerWaalsContact C-N 3.33Å; E78-T80 PolarHBondContact O-N 3.06Å; T80-N82 PolarHBondContact O-N 3.26Å; T80-G83 PolarHBondContact O-N 3.42Å; T80-Q84 VanDerWaalsContact CB-O 3.26Å; T80-Q84 WeakPolarHBondContact CB-O 3.31Å; T80-Q84 VanDerWaalsContact OG1-C 3.31Å; T80-Q84 PolarHBondContact OG1-N 2.61Å; T80-Q84 PolarHBondContact OG1-O 2.9Å; T80-R85 HydrophobicContact CG2-CB 4.48Å
81H78.2Confident93.9Very high118 Ų11858.3 Ų58.355%0.54631%0.31SS..G310 helixtrans-59.3124.7173.6-172-79.2000110G83 Q84H81-G83 PolarHBondContact O-N 3.27Å; H81-G83 VanDerWaalsContact O-N 3.12Å; H81-Q84 PolarHBondContact O-N 2.95Å
82N83.7Confident93.8Very high120 Ų12059.4 Ų59.464%0.64232%0.316SS*.G310 helixtrans57.914.5-174-57.5-21.9000115.6T80 Q84T80-N82 PolarHBondContact O-N 3.26Å; N82-Q84 VanDerWaalsContact C-N 3.26Å; N82-Q84 PolarHBondContact O-N 2.94Å
83G92.8Very high93.7Very high29 Ų2964.8 Ų64.830%0.29934%0.339SS..G310 helixtrans68.722.1-179.200000114.4K76 Q77 T80 H81K76-G83 CarbonylContact C-O 3.56Å; K76-G83 WeakPolarHBondContact CA-O 3.29Å; Q77-G83 PolarHBondContact N-O 3.38Å; Q77-G83 CarbonylContact O-C 3.21Å; Q77-G83 VanDerWaalsContact O-CA 3.26Å; Q77-G83 WeakPolarHBondContact O-CA 3.29Å; T80-G83 PolarHBondContact O-N 3.42Å; H81-G83 PolarHBondContact O-N 3.27Å; H81-G83 VanDerWaalsContact O-N 3.12Å
84Q95.8Very high93.5Very high83 Ų8369.5 Ų69.539%0.38836%0.361SS..EExtended strand (participates in β ladder)trans-126156.3-178.8-68.1176.9-40.900112.1V74 Q75 T80 H81 N82 I120V74-Q84 HydrophobicContact CG1-CB 3.78Å; V74-Q84 HydrophobicContact CG1-CG 4.02Å; Q75-Q84 CarbonylContact O-C 3.13Å; Q75-Q84 WeakPolarHBondContact O-CA 3.35Å; T80-Q84 VanDerWaalsContact CB-O 3.26Å; T80-Q84 WeakPolarHBondContact CB-O 3.31Å; T80-Q84 VanDerWaalsContact OG1-C 3.31Å; T80-Q84 PolarHBondContact OG1-N 2.61Å; T80-Q84 PolarHBondContact OG1-O 2.9Å; H81-Q84 PolarHBondContact O-N 2.95Å; N82-Q84 VanDerWaalsContact C-N 3.26Å; N82-Q84 PolarHBondContact O-N 2.94Å; Q84-I120 HydrophobicContact CB-CD1 3.55Å
85R96Very high93.5Very high37 Ų3769.1 Ų69.114%0.1436%0.359CS..EExtended strand (participates in β ladder)trans-149.1166.3173.260.6155.1171.685.52.7111.5V74 Q75 Q77 T80 N88 D91V74-R85 WeakPolarHBondContact CA-O 3.23Å; Q75-R85 HydrophobicContact CB-CG 4.34Å; Q75-R85 PolarHBondContact N-O 2.8Å; Q75-R85 WeakPolarHBondContact O-CG 3.33Å; Q75-R85 PolarHBondContact O-N 2.79Å; Q77-R85 HydrophobicContact CB-CB 4.47Å; Q77-R85 HydrophobicContact CB-CG 3.79Å; T80-R85 HydrophobicContact CG2-CB 4.48Å; R85-N88 PolarHBondContact NH1-ND2 3.29Å; R85-D91 IonicContact CZ-OD1 3.74Å; R85-D91 IonicContact CZ-OD2 2.7Å; R85-D91 IonicContact NH1-OD1 3.73Å; R85-D91 IonicContact NH1-OD2 3.36Å; R85-D91 PolarHBondContact NH1-OD2 2.75Å; R85-D91 IonicContact NH2-OD1 2.71Å; R85-D91 PolarHBondContact NH2-OD1 3.28Å; R85-D91 IonicContact NH2-OD2 3.74Å; R85-D91 PolarHBondContact NH2-OD2 3.07Å
86S97.7Very high93.5Very high8 Ų874.2 Ų74.26%0.05638%0.377CS..EExtended strand (participates in β ladder)trans-62.7147.2165.9-167.80000112.1P73 I120 Q130P73-S86 CarbonylContact O-C 3.45Å; P73-S86 WeakPolarHBondContact O-CA 3.35Å; S86-I120 WeakPolarHBondContact CB-O 3.41Å; S86-I120 PolarHBondContact N-O 3.45Å; S86-Q130 WeakPolarHBondContact OG-CG 3.44Å; S86-Q130 PolarHBondContact OG-NE2 3.48Å
87V98.4Very high93.6Very high2 Ų272.8 Ų72.81%0.01238%0.376CS..  trans-63.1150.4172.6690000111.2I71 P73 Q75 D91 Q130 I133I71-V87 HydrophobicContact CG2-CG2 3.72Å; P73-V87 WeakPolarHBondContact O-CB 3.26Å; P73-V87 PolarHBondContact O-N 3.01Å; Q75-V87 HydrophobicContact CG-CB 3.96Å; Q75-V87 HydrophobicContact CG-CG2 3.95Å; V87-D91 HydrophobicContact CG2-CB 3.74Å; V87-Q130 HydrophobicContact CG1-CG 4.11Å; V87-I133 HydrophobicContact CB-CD1 4.44Å; V87-I133 HydrophobicContact CG1-CB 4.38Å; V87-I133 HydrophobicContact CG1-CD1 3.83Å; V87-I133 HydrophobicContact CG1-CG2 4.03Å; V87-I133 HydrophobicContact CG2-CD1 4.11Å; V87-I133 HydrophobicContact CG2-CG2 4.21Å
88N97.6Very high93.9Very high36 Ų3671.5 Ų71.519%0.19337%0.371CS..  trans-140174.2171.666.676.6000110.8R85 K90 D91 L129R85-N88 PolarHBondContact NH1-ND2 3.29Å; N88-K90 WeakPolarHBondContact ND2-CE 3.36Å; N88-K90 PolarHBondContact O-N 3.33Å; N88-K90 WeakPolarHBondContact OD1-CB 3.44Å; N88-K90 WeakPolarHBondContact OD1-CD 3.46Å; N88-K90 WeakPolarHBondContact OD1-CG 3.46Å; N88-K90 PolarHBondContact OD1-N 3.4Å; N88-D91 PolarHBondContact N-OD2 3.32Å; N88-D91 PolarHBondContact ND2-OD2 2.94Å; N88-D91 WeakPolarHBondContact O-CB 3.42Å; N88-D91 PolarHBondContact O-N 3.22Å; N88-L129 HydrophobicContact CB-CD2 3.77Å
89M97.5Very high94.3Very high95 Ų9562.5 Ų62.547%0.46833%0.329SS..G310 helixtrans-58.2-26.8-173.7-69.2-59.8-176.700114.5D91 L92 L129 I133 I136M89-D91 PolarHBondContact O-N 3.01Å; M89-L92 PolarHBondContact O-N 3.4Å; M89-L92 HydrophobicContact SD-CD1 4.32Å; M89-L129 HydrophobicContact CE-CD1 4.04Å; M89-L129 HydrophobicContact CG-CD1 4.13Å; M89-I133 HydrophobicContact CE-CG1 4.16Å; M89-I133 HydrophobicContact SD-CD1 4.31Å; M89-I133 HydrophobicContact SD-CG1 3.84Å; M89-I136 HydrophobicContact CE-CD1 3.92Å; M89-I136 HydrophobicContact SD-CD1 4.15Å
90K97.3Very high94.8Very high118 Ų11860.8 Ų60.851%0.51330%0.298SS..G310 helixtrans-68.3-24178.890.1-156.4169.9-178.40112.3N88 L92 K93N88-K90 WeakPolarHBondContact ND2-CE 3.36Å; N88-K90 PolarHBondContact O-N 3.33Å; N88-K90 WeakPolarHBondContact OD1-CB 3.44Å; N88-K90 WeakPolarHBondContact OD1-CD 3.46Å; N88-K90 WeakPolarHBondContact OD1-CG 3.46Å; N88-K90 PolarHBondContact OD1-N 3.4Å; K90-L92 VanDerWaalsContact C-N 3.28Å; K90-K93 VanDerWaalsContact O-CB 3.23Å; K90-K93 WeakPolarHBondContact O-CB 3.41Å; K90-K93 PolarHBondContact O-N 3.05Å
91D98Very high95.4Very high12 Ų1265.6 Ų65.66%0.06432%0.318CS..G310 helixtrans-73.6-24.7179.1-56.2-50.1000111.5R48 I71 Q75 R85 V87 N88 M89 K93 T95R48-D91 VanDerWaalsContact CD-O 3.23Å; R48-D91 WeakPolarHBondContact CD-O 3.39Å; R48-D91 WeakPolarHBondContact CG-O 3.39Å; R48-D91 PolarHBondContact NE-O 2.99Å; I71-D91 HydrophobicContact CG2-CB 3.97Å; Q75-D91 HydrophobicContact CG-CB 4.41Å; R85-D91 IonicContact CZ-OD1 3.74Å; R85-D91 IonicContact CZ-OD2 2.7Å; R85-D91 IonicContact NH1-OD1 3.73Å; R85-D91 IonicContact NH1-OD2 3.36Å; R85-D91 PolarHBondContact NH1-OD2 2.75Å; R85-D91 IonicContact NH2-OD1 2.71Å; R85-D91 PolarHBondContact NH2-OD1 3.28Å; R85-D91 IonicContact NH2-OD2 3.74Å; R85-D91 PolarHBondContact NH2-OD2 3.07Å; V87-D91 HydrophobicContact CG2-CB 3.74Å; N88-D91 PolarHBondContact N-OD2 3.32Å; N88-D91 PolarHBondContact ND2-OD2 2.94Å; N88-D91 WeakPolarHBondContact O-CB 3.42Å; N88-D91 PolarHBondContact O-N 3.22Å; M89-D91 PolarHBondContact O-N 3.01Å; D91-K93 VanDerWaalsContact C-N 3.27Å; D91-K93 PolarHBondContact O-N 3.41Å; D91-T95 PolarHBondContact O-OG1 2.92Å
92L97.1Very high96.3Very high25 Ų2561.8 Ų61.813%0.13130%0.3CS..G310 helixtrans-80.3-2.7173-67.7-174.1000113.9I71 M89 K90 H94 T95 I133 I136 Q137I71-L92 HydrophobicContact CB-CD2 3.98Å; I71-L92 HydrophobicContact CG1-CD2 3.88Å; M89-L92 PolarHBondContact O-N 3.4Å; M89-L92 HydrophobicContact SD-CD1 4.32Å; K90-L92 VanDerWaalsContact C-N 3.28Å; L92-H94 PolarHBondContact O-N 2.89Å; L92-H94 VanDerWaalsContact O-N 3.12Å; L92-T95 WeakPolarHBondContact CA-OG1 3.18Å; L92-T95 HydrophobicContact CD2-CG2 4.47Å; L92-T95 VanDerWaalsContact O-CB 3.27Å; L92-T95 WeakPolarHBondContact O-CB 3.5Å; L92-T95 PolarHBondContact O-N 2.8Å; L92-T95 PolarHBondContact O-OG1 3Å; L92-I133 HydrophobicContact CD1-CB 4.36Å; L92-I133 HydrophobicContact CD1-CG1 4Å; L92-I133 HydrophobicContact CD1-CG2 4.01Å; L92-I133 HydrophobicContact CD2-CG2 4.11Å; L92-I133 HydrophobicContact CG-CG2 4.15Å; L92-I136 HydrophobicContact CD1-CB 4.46Å; L92-I136 HydrophobicContact CD1-CD1 4.18Å; L92-I136 HydrophobicContact CD1-CG2 4.11Å; L92-Q137 HydrophobicContact CD2-CG 4.19Å
93K96Very high96.9Very high124 Ų12460 Ų6054%0.53929%0.287SS..THydrogen-bonded Turntrans-60.6119.6-173.9-172.2-174.3-176-177.90111.1R48 K90 D91 T95R48-K93 WeakPolarHBondContact CD-O 3.26Å; R48-K93 PolarHBondContact NH1-O 3.01Å; K90-K93 VanDerWaalsContact O-CB 3.23Å; K90-K93 WeakPolarHBondContact O-CB 3.41Å; K90-K93 PolarHBondContact O-N 3.05Å; D91-K93 VanDerWaalsContact C-N 3.27Å; D91-K93 PolarHBondContact O-N 3.41Å; K93-T95 PolarHBondContact O-N 3.28Å
94H94.3Very high97.1Very high100 Ų10068.3 Ų68.346%0.46331%0.31SS..THydrogen-bonded Turntrans66.70.6-173.8-43.5123.3000115.7L92 R96 D97 I98L92-H94 PolarHBondContact O-N 2.89Å; L92-H94 VanDerWaalsContact O-N 3.12Å; H94-R96 VanDerWaalsContact C-N 3.34Å; H94-R96 PolarHBondContact O-N 3.24Å; H94-D97 PolarHBondContact O-N 2.85Å; H94-I98 HydrophobicContact CB-CD1 4.38Å; H94-I98 WeakPolarHBondContact O-CG1 3.23Å; H94-I98 PolarHBondContact O-N 3.25Å; H94-I98 VanDerWaalsContact O-N 3.07Å
95T97.2Very high97.1Very high4 Ų469 Ų693%0.02531%0.314CS..Hα-helixtrans-58.4-46.7-179.2-64.80000111.4F51 I71 D91 L92 K93 D97 I98 I99F51-T95 HydrophobicContact CE2-CG2 4.18Å; F51-T95 HydrophobicContact CZ-CG2 3.96Å; I71-T95 HydrophobicContact CD1-CG2 4.41Å; I71-T95 HydrophobicContact CG1-CG2 3.83Å; D91-T95 PolarHBondContact O-OG1 2.92Å; L92-T95 WeakPolarHBondContact CA-OG1 3.18Å; L92-T95 HydrophobicContact CD2-CG2 4.47Å; L92-T95 VanDerWaalsContact O-CB 3.27Å; L92-T95 WeakPolarHBondContact O-CB 3.5Å; L92-T95 PolarHBondContact O-N 2.8Å; L92-T95 PolarHBondContact O-OG1 3Å; K93-T95 PolarHBondContact O-N 3.28Å; T95-D97 PolarHBondContact O-N 3.33Å; T95-I98 PolarHBondContact O-N 3.06Å; T95-I99 HydrophobicContact CG2-CD1 3.68Å; T95-I99 HydrophobicContact CG2-CG1 4.49Å; T95-I99 WeakPolarHBondContact O-CB 3.28Å; T95-I99 VanDerWaalsContact O-CG1 3.29Å; T95-I99 WeakPolarHBondContact O-CG1 3.48Å; T95-I99 PolarHBondContact O-N 2.96Å
96R97.4Very high97.2Very high120 Ų12067.8 Ų67.845%0.45331%0.31SS..Hα-helixtrans-58.5-47.3177.5178.1179.717290.22.6111.8H94 I98 I99 L100 L140H94-R96 VanDerWaalsContact C-N 3.34Å; H94-R96 PolarHBondContact O-N 3.24Å; R96-I98 PolarHBondContact O-N 3.25Å; R96-I99 PolarHBondContact O-N 3.44Å; R96-L100 HydrophobicContact CG-CD1 3.94Å; R96-L100 HydrophobicContact CG-CG 4.35Å; R96-L100 WeakPolarHBondContact O-CB 3.46Å; R96-L100 VanDerWaalsContact O-CG 3.28Å; R96-L100 WeakPolarHBondContact O-CG 3.17Å; R96-L100 PolarHBondContact O-N 3.22Å; R96-L140 HydrophobicContact CB-CD2 4.46Å; R96-L140 HydrophobicContact CG-CD1 4.4Å; R96-L140 HydrophobicContact CG-CD2 4.34Å
97D97.6Very high97.2Very high98 Ų9868.1 Ų68.152%0.52431%0.311SS..Hα-helixtrans-64.5-42.8-175.7-57.7-33.2000111.2H94 T95 L100 Q101H94-D97 PolarHBondContact O-N 2.85Å; T95-D97 PolarHBondContact O-N 3.33Å; D97-L100 PolarHBondContact O-N 3.34Å; D97-Q101 WeakPolarHBondContact O-CB 3.39Å; D97-Q101 PolarHBondContact O-N 2.91Å
98I97.4Very high97.3Very high49 Ų4968 Ų6825%0.25131%0.311SS..Hα-helixtrans-64.8-44.7177.1-60.2164.7000110.7F51 H94 T95 R96 L100 Q101 H102F51-I98 HydrophobicContact CD2-CB 4.15Å; F51-I98 HydrophobicContact CD2-CD1 3.97Å; F51-I98 HydrophobicContact CD2-CG2 3.73Å; F51-I98 HydrophobicContact CE2-CB 4.33Å; F51-I98 HydrophobicContact CE2-CD1 4.38Å; F51-I98 HydrophobicContact CE2-CG2 4.31Å; H94-I98 HydrophobicContact CB-CD1 4.38Å; H94-I98 WeakPolarHBondContact O-CG1 3.23Å; H94-I98 PolarHBondContact O-N 3.25Å; H94-I98 VanDerWaalsContact O-N 3.07Å; T95-I98 PolarHBondContact O-N 3.06Å; R96-I98 PolarHBondContact O-N 3.25Å; I98-L100 VanDerWaalsContact C-N 3.32Å; I98-L100 PolarHBondContact O-N 3.16Å; I98-Q101 WeakPolarHBondContact O-CB 3.3Å; I98-Q101 PolarHBondContact O-N 3.26Å; I98-H102 PolarHBondContact O-CD2 3.16Å; I98-H102 VanDerWaalsContact O-CD2 3.31Å; I98-H102 PolarHBondContact O-N 2.89Å
99I98.1Very high97.3Very high1 Ų166.3 Ų66.31%0.00530%0.302CS..Hα-helixtrans-59.8-43.5176.8-71.4169.3000110.9L69 T95 R96 Q101 H102 K103 I106 I109 L140 L144L69-I99 HydrophobicContact CB-CD1 4.2Å; L69-I99 HydrophobicContact CB-CG1 3.81Å; L69-I99 HydrophobicContact CD1-CG1 3.99Å; T95-I99 HydrophobicContact CG2-CD1 3.68Å; T95-I99 HydrophobicContact CG2-CG1 4.49Å; T95-I99 WeakPolarHBondContact O-CB 3.28Å; T95-I99 VanDerWaalsContact O-CG1 3.29Å; T95-I99 WeakPolarHBondContact O-CG1 3.48Å; T95-I99 PolarHBondContact O-N 2.96Å; R96-I99 PolarHBondContact O-N 3.44Å; I99-Q101 VanDerWaalsContact C-N 3.34Å; I99-Q101 PolarHBondContact O-N 3.09Å; I99-H102 CarbonylContact O-C 3.56Å; I99-H102 PolarHBondContact O-N 2.7Å; I99-K103 WeakPolarHBondContact O-CA 3.44Å; I99-K103 PolarHBondContact O-N 2.93Å; I99-I106 HydrophobicContact CG2-CD1 3.89Å; I99-I109 HydrophobicContact CD1-CD1 4.3Å; I99-I109 HydrophobicContact CG2-CD1 3.73Å; I99-L140 HydrophobicContact CB-CD2 3.99Å; I99-L140 HydrophobicContact CD1-CD2 3.75Å; I99-L140 HydrophobicContact CG1-CD2 4.48Å; I99-L140 HydrophobicContact CG2-CD2 3.71Å; I99-L140 HydrophobicContact CG2-CG 4.21Å; I99-L144 HydrophobicContact CG2-CD1 3.72Å
100L98.1Very high97.4Very high52 Ų5261.8 Ų61.827%0.27228%0.279SS..Hα-helixtrans-65.7-36.8178.2-70.4176.8000112.5R96 D97 I98 H102 K103 L140 L144R96-L100 HydrophobicContact CG-CD1 3.94Å; R96-L100 HydrophobicContact CG-CG 4.35Å; R96-L100 WeakPolarHBondContact O-CB 3.46Å; R96-L100 VanDerWaalsContact O-CG 3.28Å; R96-L100 WeakPolarHBondContact O-CG 3.17Å; R96-L100 PolarHBondContact O-N 3.22Å; D97-L100 PolarHBondContact O-N 3.34Å; I98-L100 VanDerWaalsContact C-N 3.32Å; I98-L100 PolarHBondContact O-N 3.16Å; L100-H102 VanDerWaalsContact C-N 3.32Å; L100-K103 WeakPolarHBondContact O-CG 3.49Å; L100-L140 HydrophobicContact CD2-CD1 3.99Å; L100-L140 HydrophobicContact CG-CD1 4.43Å; L100-L144 HydrophobicContact CD2-CD1 4.5Å; L100-L144 HydrophobicContact CD2-CD2 3.97Å
101Q97.7Very high97.4Very high147 Ų14756.3 Ų56.369%0.68726%0.256SS*.Hα-helixtrans-63.5-37.9175.9-179.4177.9-8.700111.9D97 I98 I99D97-Q101 WeakPolarHBondContact O-CB 3.39Å; D97-Q101 PolarHBondContact O-N 2.91Å; I98-Q101 WeakPolarHBondContact O-CB 3.3Å; I98-Q101 PolarHBondContact O-N 3.26Å; I99-Q101 VanDerWaalsContact C-N 3.34Å; I99-Q101 PolarHBondContact O-N 3.09Å
102H97Very high97.5Very high38 Ų3855.8 Ų55.818%0.17625%0.253CS..THydrogen-bonded Turntrans-105.919.7-176-66.3-79.3000113.9F55 I98 I99 L100 Y104 E105F55-H102 HydrophobicContact CE1-CB 3.87Å; F55-H102 AromaticContact CE1-CG 3.87Å; F55-H102 AromaticContact CE1-ND1 3.82Å; F55-H102 HydrophobicContact CE2-CB 4.21Å; F55-H102 AromaticContact CE2-CD2 3.71Å; F55-H102 AromaticContact CE2-CG 3.74Å; F55-H102 HydrophobicContact CZ-CB 3.34Å; F55-H102 AromaticContact CZ-CD2 3.75Å; F55-H102 AromaticContact CZ-CG 3.29Å; F55-H102 AromaticContact CZ-ND1 3.65Å; I98-H102 PolarHBondContact O-CD2 3.16Å; I98-H102 VanDerWaalsContact O-CD2 3.31Å; I98-H102 PolarHBondContact O-N 2.89Å; I99-H102 CarbonylContact O-C 3.56Å; I99-H102 PolarHBondContact O-N 2.7Å; L100-H102 VanDerWaalsContact C-N 3.32Å; H102-Y104 PolarHBondContact O-N 3.02Å; H102-E105 IonicContact CE1-OE1 2.69Å; H102-E105 IonicContact CG-OE1 3.68Å; H102-E105 IonicContact ND1-OE1 3.84Å; H102-E105 PolarHBondContact ND1-OE1 3.05Å; H102-E105 PolarHBondContact O-N 3.08Å
103K96.5Very high97.5Very high83 Ų8354.8 Ų54.836%0.36125%0.248SC..THydrogen-bonded Turntrans-58.3-18.5-172.668.4-176.5179.3177.40115.6I99 L100 L144I99-K103 WeakPolarHBondContact O-CA 3.44Å; I99-K103 PolarHBondContact O-N 2.93Å; L100-K103 WeakPolarHBondContact O-CG 3.49Å; K103-L144 HydrophobicContact CB-CD1 4.43Å; K103-L144 HydrophobicContact CB-CD2 4.08Å; K103-L144 HydrophobicContact CD-CD2 4.11Å
104Y96.1Very high97.7Very high202 Ų20248.9 Ų48.979%0.79222%0.223SC*.THydrogen-bonded Turntrans-96.3-5.1177.3-59-65.8000113.6H102H102-Y104 PolarHBondContact O-N 3.02Å
105E96.3Very high97.8Very high99 Ų9944.7 Ų44.746%0.46320%0.204SC..THydrogen-bonded Turntrans-105.6-4.5179.8-65.4177.4-82.400112.5F55 H102F55-E105 HydrophobicContact CE1-CB 4.01Å; H102-E105 IonicContact CE1-OE1 2.69Å; H102-E105 IonicContact CG-OE1 3.68Å; H102-E105 IonicContact ND1-OE1 3.84Å; H102-E105 PolarHBondContact ND1-OE1 3.05Å; H102-E105 PolarHBondContact O-N 3.08Å
106I98Very high97.8Very high11 Ų1145.5 Ų45.56%0.05621%0.207CC..  trans-112.4150-178.966.5174.3000110.8F55 I67 L69 I99 I109 L146F55-I106 HydrophobicContact CZ-CG2 4.45Å; I67-I106 HydrophobicContact CB-CG2 4.19Å; I67-I106 HydrophobicContact CG2-CG2 3.94Å; I67-I106 CarbonylContact O-C 3.55Å; I67-I106 WeakPolarHBondContact O-CA 3.49Å; I67-I106 WeakPolarHBondContact O-CB 3.45Å; L69-I106 HydrophobicContact CD1-CG2 3.85Å; L69-I106 HydrophobicContact CG-CG2 3.79Å; I99-I106 HydrophobicContact CG2-CD1 3.89Å; I106-I109 HydrophobicContact CD1-CD1 3.99Å; I106-L146 HydrophobicContact CD1-CD1 3.64Å; I106-L146 HydrophobicContact CG1-CD1 3.83Å
107V98.5Very high97.7Very high15 Ų1541.2 Ų41.29%0.09119%0.194CC..SBendtrans-105.8-12.3178.4-58.60000112.6I42 N66 I67 P147 Y270 L273I42-V107 HydrophobicContact CG2-CG2 4.36Å; N66-V107 HydrophobicContact CB-CG1 4.03Å; N66-V107 HydrophobicContact CB-CG2 3.9Å; I67-V107 WeakPolarHBondContact O-CG2 3.28Å; I67-V107 PolarHBondContact O-N 3.33Å; V107-P147 WeakPolarHBondContact O-CD 3.27Å; V107-P147 WeakPolarHBondContact O-CG 3.45Å; V107-Y270 HydrophobicContact CB-CD1 4.15Å; V107-Y270 HydrophobicContact CG2-CD1 3.83Å; V107-Y270 HydrophobicContact CG2-CE1 4.37Å; V107-Y270 WeakPolarHBondContact O-CD1 3.38Å; V107-L273 HydrophobicContact CB-CD2 4.24Å; V107-L273 HydrophobicContact CG1-CD2 4.07Å; V107-L273 HydrophobicContact CG2-CD2 4.19Å
108G98.6Very high97.5Very high0 Ų041.3 Ų41.30%020%0.2CC..EExtended strand (participates in β ladder)trans-167174.3-17800000113.6C68 L69 P147C68-G108 VanDerWaalsContact CA-O 3.29Å; C68-G108 WeakPolarHBondContact CA-O 3.49Å; C68-G108 VanDerWaalsContact SG-CA 3.57Å; L69-G108 PolarHBondContact N-O 3.47Å; G108-P147 CarbonylContact C-O 3.22Å; G108-P147 VanDerWaalsContact CA-O 3.31Å; G108-P147 WeakPolarHBondContact CA-O 3.44Å
109I98.8Very high97.3Very high0 Ų042.6 Ų42.60%021%0.211CC..EExtended strand (participates in β ladder)trans-105.9120.8169.7-56.7-57.9000108.5L69 I99 I106 I112 Q137 A141 L144 L146 P147 V148 N149L69-I109 CarbonylContact O-C 3.57Å; L69-I109 VanDerWaalsContact O-CA 3.26Å; L69-I109 WeakPolarHBondContact O-CA 3.41Å; L69-I109 WeakPolarHBondContact O-CG2 3.38Å; I99-I109 HydrophobicContact CD1-CD1 4.3Å; I99-I109 HydrophobicContact CG2-CD1 3.73Å; I106-I109 HydrophobicContact CD1-CD1 3.99Å; I109-I112 HydrophobicContact CG2-CD1 4.14Å; I109-I112 HydrophobicContact CG2-CG2 4.07Å; I109-Q137 HydrophobicContact CG2-CB 4.24Å; I109-A141 HydrophobicContact CB-CB 3.91Å; I109-A141 HydrophobicContact CG1-CB 3.57Å; I109-L144 HydrophobicContact CD1-CD1 4.46Å; I109-L146 HydrophobicContact CD1-CD1 4.18Å; I109-L146 HydrophobicContact CG1-CB 4.48Å; I109-L146 HydrophobicContact CG1-CD1 4.44Å; I109-P147 PolarHBondContact N-O 3.25Å; I109-V148 HydrophobicContact CB-CG1 4.36Å; I109-V148 CarbonylContact O-C 3.49Å; I109-V148 VanDerWaalsContact O-CA 3.27Å; I109-V148 WeakPolarHBondContact O-CA 3.41Å; I109-N149 PolarHBondContact O-N 3.12Å
110G98.7Very high97.1Very high0 Ų043 Ų430%021%0.213CC..EExtended strand (participates in β ladder)trans170.4155.2-172.700000112.5C68 L69 G70C68-G110 CarbonylContact C-O 3.47Å; C68-G110 WeakPolarHBondContact CB-O 3.38Å; C68-G110 VanDerWaalsContact O-O 3.12Å; L69-G110 CarbonylContact C-O 3.59Å; L69-G110 WeakPolarHBondContact CA-O 3.35Å; L69-G110 PolarHBondContact N-O 3.43Å; L69-G110 PolarHBondContact O-N 3.26Å; G70-G110 PolarHBondContact N-O 3.36Å; G70-G110 VanDerWaalsContact N-O 3.07Å
111E98.7Very high96.9Very high3 Ų340.7 Ų40.71%0.01420%0.201CC..EExtended strand (participates in β ladder)cis-83.8133.11.8-166.1-178.3179.100111.1H14 H16 L44 T45 I71 H72 H151 H174H14-E111 IonicContact CE1-OE1 2.68Å; H14-E111 IonicContact CE1-OE2 3.74Å; H14-E111 IonicContact NE2-OE1 3.26Å; H14-E111 IonicContact NE2-OE2 3.86Å; H16-E111 IonicContact CE1-OE2 3.73Å; H16-E111 PolarHBondContact CE1-OE2 2.82Å; H16-E111 IonicContact NE2-OE2 3.3Å; L44-E111 HydrophobicContact CB-CB 4.1Å; L44-E111 HydrophobicContact CG-CB 4.25Å; T45-E111 PolarHBondContact O-N 2.79Å; I71-E111 CarbonylContact C-O 3.49Å; I71-E111 VanDerWaalsContact C-O 3.22Å; I71-E111 PolarHBondContact N-O 3.04Å; H72-E111 WeakPolarHBondContact CA-O 3.48Å; H72-E111 IonicContact CD2-OE1 3.64Å; H72-E111 IonicContact CD2-OE2 3.65Å; H72-E111 PolarHBondContact CD2-OE2 3.03Å; H72-E111 PolarHBondContact N-O 3.25Å; H72-E111 IonicContact NE2-OE1 3.99Å; H72-E111 IonicContact NE2-OE2 3.57Å; E111-H151 HydrophobicContact CG-CB 3.94Å; E111-H151 WeakPolarHBondContact OE1-CB 3.5Å; E111-H151 IonicContact OE1-CG 3.95Å; E111-H151 IonicContact OE1-ND1 3.84Å; E111-H151 PolarHBondContact OE1-ND1 2.99Å; E111-H174 IonicContact OE1-CD2 3.41Å; E111-H174 IonicContact OE1-CE1 3.67Å; E111-H174 IonicContact OE1-NE2 2.72Å; E111-H174 PolarHBondContact OE1-NE2 2.76Å
112I98.8Very high96.7Very high0 Ų037.9 Ų37.90%020%0.197CC..EExtended strand (participates in β ladder)trans-137156.9-179.563.2166.6000109.1I109 F134 Q137 I138 V148 N149 V150 H151I109-I112 HydrophobicContact CG2-CD1 4.14Å; I109-I112 HydrophobicContact CG2-CG2 4.07Å; I112-F134 HydrophobicContact CB-CD2 4.13Å; I112-F134 HydrophobicContact CB-CE2 4.38Å; I112-F134 HydrophobicContact CD1-CD2 3.82Å; I112-F134 HydrophobicContact CD1-CE2 3.66Å; I112-F134 HydrophobicContact CG1-CD2 3.97Å; I112-F134 HydrophobicContact CG1-CE2 3.75Å; I112-Q137 HydrophobicContact CB-CB 4.36Å; I112-Q137 HydrophobicContact CD1-CB 3.92Å; I112-Q137 HydrophobicContact CG2-CB 3.87Å; I112-Q137 HydrophobicContact CG2-CG 4.19Å; I112-I138 HydrophobicContact CD1-CG1 4.14Å; I112-V148 HydrophobicContact CD1-CB 4.05Å; I112-V148 HydrophobicContact CD1-CG1 3.71Å; I112-N149 PolarHBondContact N-O 2.91Å; I112-V150 CarbonylContact O-C 3.6Å; I112-V150 WeakPolarHBondContact O-CA 3.49Å; I112-H151 PolarHBondContact O-N 3.09Å
113G98.6Very high96.7Very high4 Ų439 Ų394%0.04121%0.207CC..EExtended strand (participates in β ladder)trans151.4-148.417600000114.3H151G113-H151 VanDerWaalsContact CA-O 3.31Å; G113-H151 WeakPolarHBondContact CA-O 3.34Å
114L98.6Very high96.7Very high0 Ų039.5 Ų39.50%022%0.217CC..EExtended strand (participates in β ladder)trans-129.6132.5-175.9-58.5-179.9000111.2F116 Q130 K131 F134 H151 S152 H153 A155 E158 I162L114-F116 HydrophobicContact CB-CD1 4.43Å; L114-F116 HydrophobicContact CB-CE1 4.02Å; L114-F116 HydrophobicContact CB-CZ 4.39Å; L114-F116 HydrophobicContact CD1-CE1 4.29Å; L114-F116 HydrophobicContact CD1-CZ 3.89Å; L114-F116 HydrophobicContact CD2-CE1 4.12Å; L114-F116 HydrophobicContact CD2-CZ 4.36Å; L114-F116 HydrophobicContact CG-CE1 4.38Å; L114-F116 HydrophobicContact CG-CZ 4.46Å; L114-Q130 HydrophobicContact CD2-CB 3.84Å; L114-K131 HydrophobicContact CD1-CG 4.33Å; L114-K131 HydrophobicContact CD2-CB 4.44Å; L114-K131 HydrophobicContact CD2-CG 3.92Å; L114-F134 HydrophobicContact CD2-CB 4.27Å; L114-F134 HydrophobicContact CD2-CD1 4.15Å; L114-F134 HydrophobicContact CG-CD1 4.01Å; L114-F134 HydrophobicContact CG-CE1 4.48Å; L114-H151 PolarHBondContact N-O 2.87Å; L114-H151 VanDerWaalsContact N-O 3.14Å; L114-H151 PolarHBondContact O-CD2 3.11Å; L114-S152 WeakPolarHBondContact O-CA 3.49Å; L114-H153 PolarHBondContact O-N 2.94Å; L114-A155 HydrophobicContact CB-CB 3.57Å; L114-A155 HydrophobicContact CD1-CB 4.21Å; L114-E158 HydrophobicContact CD1-CB 3.79Å; L114-I162 HydrophobicContact CD1-CD1 4.14Å
115D97.7Very high96.8Very high13 Ų1337.5 Ų37.57%0.0722%0.215CC..EExtended strand (participates in β ladder)trans-127.9105.4169.5-173.8-25000109P73 V74 T117 C121 Q130 H151 H153P73-D115 HydrophobicContact CB-CB 4.12Å; P73-D115 HydrophobicContact CG-CB 3.99Å; V74-D115 HydrophobicContact CG2-CB 3.68Å; V74-D115 WeakPolarHBondContact CG2-OD2 3.14Å; D115-T117 VanDerWaalsContact C-N 3.34Å; D115-T117 WeakPolarHBondContact OD1-CB 3.34Å; D115-T117 PolarHBondContact OD1-N 2.73Å; D115-T117 PolarHBondContact OD1-OG1 3.03Å; D115-C121 WeakPolarHBondContact O-CB 3.49Å; D115-Q130 PolarHBondContact O-NE2 3.48Å; D115-Q130 PolarHBondContact O-OE1 3.25Å; D115-H151 IonicContact OD2-NE2 3.33Å; D115-H153 HydrophobicContact CB-CB 4.42Å
116F96.8Very high96.8Very high20 Ų2035.2 Ų35.29%0.08821%0.205CC..  trans-97.422.8-179.9-67.4-3000113L114 P118 C121 Q127 K131 H153 A155 E158L114-F116 HydrophobicContact CB-CD1 4.43Å; L114-F116 HydrophobicContact CB-CE1 4.02Å; L114-F116 HydrophobicContact CB-CZ 4.39Å; L114-F116 HydrophobicContact CD1-CE1 4.29Å; L114-F116 HydrophobicContact CD1-CZ 3.89Å; L114-F116 HydrophobicContact CD2-CE1 4.12Å; L114-F116 HydrophobicContact CD2-CZ 4.36Å; L114-F116 HydrophobicContact CG-CE1 4.38Å; L114-F116 HydrophobicContact CG-CZ 4.46Å; F116-P118 WeakPolarHBondContact O-CD 3.19Å; F116-C121 HydrophobicContact CD1-CB 4.5Å; F116-Q127 HydrophobicContact CD1-CB 4.49Å; F116-Q127 HydrophobicContact CD1-CG 3.9Å; F116-Q127 HydrophobicContact CD2-CG 4.39Å; F116-Q127 HydrophobicContact CE1-CB 3.9Å; F116-Q127 HydrophobicContact CE1-CG 3.8Å; F116-Q127 HydrophobicContact CE2-CG 4.28Å; F116-Q127 HydrophobicContact CG-CG 4.22Å; F116-Q127 HydrophobicContact CZ-CB 3.93Å; F116-Q127 HydrophobicContact CZ-CG 4.01Å; F116-K131 HydrophobicContact CZ-CG 4.41Å; F116-H153 PolarHBondContact N-O 3.29Å; F116-A155 HydrophobicContact CB-CB 4.2Å; F116-A155 HydrophobicContact CD1-CB 4.18Å; F116-A155 HydrophobicContact CD2-CB 3.64Å; F116-A155 HydrophobicContact CE1-CB 4.47Å; F116-A155 HydrophobicContact CE2-CB 3.98Å; F116-A155 HydrophobicContact CG-CB 3.74Å; F116-A155 HydrophobicContact CZ-CB 4.37Å; F116-E158 HydrophobicContact CE2-CB 4.13Å; F116-E158 HydrophobicContact CE2-CG 3.91Å
117T95.1Very high96.8Very high31 Ų3137.2 Ų37.219%0.1922%0.215CC..  trans-55.2127.1169.8-57.10000109.4D115 T119 I120 C121 H153D115-T117 VanDerWaalsContact C-N 3.34Å; D115-T117 WeakPolarHBondContact OD1-CB 3.34Å; D115-T117 PolarHBondContact OD1-N 2.73Å; D115-T117 PolarHBondContact OD1-OG1 3.03Å; T117-T119 WeakPolarHBondContact CG2-OG1 3.49Å; T117-T119 PolarHBondContact O-N 3.49Å; T117-I120 PolarHBondContact O-N 3.06Å; T117-C121 PolarHBondContact O-N 3.4Å; T117-H153 PolarHBondContact OG1-CD2 3.46Å
118P93.6Very high96.8Very high99 Ų9940 Ų4064%0.64323%0.229SC*.THydrogen-bonded Turntrans-56.5-29.3-175.5-29.736000114.9F116 I120 S122F116-P118 WeakPolarHBondContact O-CD 3.19Å; P118-I120 VanDerWaalsContact C-N 3.3Å; P118-I120 PolarHBondContact O-N 3.15Å; P118-S122 WeakPolarHBondContact O-CB 3.49Å
119T92.6Very high96.8Very high77 Ų7742.3 Ų42.347%0.47224%0.241SC..THydrogen-bonded Turntrans-75-17.8176.952.60000113.7T117T117-T119 WeakPolarHBondContact CG2-OG1 3.49Å; T117-T119 PolarHBondContact O-N 3.49Å
120I94Very high96.8Very high10 Ų1042.3 Ų42.35%0.05124%0.241CC..THydrogen-bonded Turntrans-103-46.1-179.7-60.7-52.8000110.9V74 Q84 S86 T117 P118V74-I120 HydrophobicContact CG1-CD1 3.88Å; V74-I120 HydrophobicContact CG1-CG1 4.28Å; V74-I120 HydrophobicContact CG1-CG2 4.29Å; V74-I120 HydrophobicContact CG2-CG1 4.42Å; V74-I120 HydrophobicContact CG2-CG2 3.94Å; Q84-I120 HydrophobicContact CB-CD1 3.55Å; S86-I120 WeakPolarHBondContact CB-O 3.41Å; S86-I120 PolarHBondContact N-O 3.45Å; T117-I120 PolarHBondContact O-N 3.06Å; P118-I120 VanDerWaalsContact C-N 3.3Å; P118-I120 PolarHBondContact O-N 3.15Å
121C94.8Very high96.8Very high3 Ų344.7 Ų44.72%0.0225%0.251CS..  trans-132.574.4-168-163.90000109.9D115 F116 T117 L126 Q127D115-C121 WeakPolarHBondContact O-CB 3.49Å; F116-C121 HydrophobicContact CD1-CB 4.5Å; T117-C121 PolarHBondContact O-N 3.4Å; C121-L126 VanDerWaalsContact SG-C 3.52Å; C121-Q127 VanDerWaalsContact SG-CA 3.58Å; C121-Q127 WeakPolarHBondContact SG-CG 3.35Å; C121-Q127 PolarHBondContact SG-N 3.38Å; C121-Q127 VanDerWaalsContact SG-N 3.35Å
122S92.8Very high96.8Very high87 Ų8747.3 Ų47.361%0.60827%0.27SS*.  trans-87-12.2-169.756.60000115.1P118P118-S122 WeakPolarHBondContact O-CB 3.49Å
123T96.3Very high96.8Very high62 Ų6247.4 Ų47.438%0.3827%0.27SS..SBendtrans-128.6154.1-174.670.90000111.4E125 L126 Q127T123-E125 PolarHBondContact O-N 3.05Å; T123-L126 PolarHBondContact O-N 3.46Å; T123-L126 VanDerWaalsContact O-N 3.14Å; T123-L126 WeakPolarHBondContact OG1-CG 3.34Å; T123-L126 PolarHBondContact OG1-N 3.15Å; T123-Q127 PolarHBondContact O-N 2.91Å
124T96.8Very high96.9Very high93 Ų9347.3 Ų47.357%0.57127%0.269SS*.Hα-helixtrans-57.6-37.1173.8-49.30000111.8L126 Q127 D128T124-L126 VanDerWaalsContact C-N 3.35Å; T124-L126 PolarHBondContact O-N 2.91Å; T124-Q127 WeakPolarHBondContact O-CB 3.32Å; T124-Q127 PolarHBondContact O-N 2.93Å; T124-D128 VanDerWaalsContact O-CG 3.31Å; T124-D128 PolarHBondContact O-N 3.3Å
125E98Very high96.9Very high160 Ų16049 Ų4975%0.74828%0.279SS*.Hα-helixtrans-60.6-42.5176.2-174.2-178.5177.800112.1T123 D128 L129T123-E125 PolarHBondContact O-N 3.05Å; E125-D128 PolarHBondContact O-N 3Å; E125-L129 WeakPolarHBondContact O-CB 3.33Å; E125-L129 PolarHBondContact O-N 3.22Å
126L97.7Very high96.9Very high51 Ų5152.4 Ų52.427%0.26730%0.296SS..Hα-helixtrans-66.6-39.3175.3-70.6175.3000111.7C121 T123 T124 L129 Q130C121-L126 VanDerWaalsContact SG-C 3.52Å; T123-L126 PolarHBondContact O-N 3.46Å; T123-L126 VanDerWaalsContact O-N 3.14Å; T123-L126 WeakPolarHBondContact OG1-CG 3.34Å; T123-L126 PolarHBondContact OG1-N 3.15Å; T124-L126 VanDerWaalsContact C-N 3.35Å; T124-L126 PolarHBondContact O-N 2.91Å; L126-L129 PolarHBondContact O-N 2.86Å; L126-Q130 PolarHBondContact O-N 3.15Å
127Q98.4Very high97Very high54 Ų5451.7 Ų51.725%0.25229%0.294SS..Hα-helixtrans-62.3-47.1176-67.8178.16.600110.8F116 C121 T123 T124 L129 Q130 K131F116-Q127 HydrophobicContact CD1-CB 4.49Å; F116-Q127 HydrophobicContact CD1-CG 3.9Å; F116-Q127 HydrophobicContact CD2-CG 4.39Å; F116-Q127 HydrophobicContact CE1-CB 3.9Å; F116-Q127 HydrophobicContact CE1-CG 3.8Å; F116-Q127 HydrophobicContact CE2-CG 4.28Å; F116-Q127 HydrophobicContact CG-CG 4.22Å; F116-Q127 HydrophobicContact CZ-CB 3.93Å; F116-Q127 HydrophobicContact CZ-CG 4.01Å; C121-Q127 VanDerWaalsContact SG-CA 3.58Å; C121-Q127 WeakPolarHBondContact SG-CG 3.35Å; C121-Q127 PolarHBondContact SG-N 3.38Å; C121-Q127 VanDerWaalsContact SG-N 3.35Å; T123-Q127 PolarHBondContact O-N 2.91Å; T124-Q127 WeakPolarHBondContact O-CB 3.32Å; T124-Q127 PolarHBondContact O-N 2.93Å; Q127-L129 VanDerWaalsContact C-N 3.28Å; Q127-L129 PolarHBondContact O-N 2.58Å; Q127-Q130 PolarHBondContact O-N 3.26Å; Q127-K131 VanDerWaalsContact O-CG 3.25Å; Q127-K131 WeakPolarHBondContact O-CG 3.25Å; Q127-K131 PolarHBondContact O-N 3.41Å
128D98.5Very high97.2Very high73 Ų7350.2 Ų50.239%0.3929%0.285SS..Hα-helixtrans-66.8-32.2-179.3-67.4-19.5000112.2T124 E125 K131 S132T124-D128 VanDerWaalsContact O-CG 3.31Å; T124-D128 PolarHBondContact O-N 3.3Å; E125-D128 PolarHBondContact O-N 3Å; D128-K131 IonicContact OD1-NZ 2.85Å; D128-K131 PolarHBondContact OD1-NZ 3.13Å; D128-S132 WeakPolarHBondContact O-CB 3.41Å; D128-S132 PolarHBondContact O-N 2.95Å; D128-S132 PolarHBondContact O-OG 3.34Å
129L98.6Very high97.4Very high48 Ų4849.4 Ų49.425%0.25127%0.272SS..Hα-helixtrans-67.4-44.5171.5-174.958.2000112.3N88 M89 E125 L126 Q127 K131 S132 I133N88-L129 HydrophobicContact CB-CD2 3.77Å; M89-L129 HydrophobicContact CE-CD1 4.04Å; M89-L129 HydrophobicContact CG-CD1 4.13Å; E125-L129 WeakPolarHBondContact O-CB 3.33Å; E125-L129 PolarHBondContact O-N 3.22Å; L126-L129 PolarHBondContact O-N 2.86Å; Q127-L129 VanDerWaalsContact C-N 3.28Å; Q127-L129 PolarHBondContact O-N 2.58Å; L129-K131 PolarHBondContact O-N 2.93Å; L129-S132 PolarHBondContact O-N 3.49Å; L129-I133 HydrophobicContact CD1-CD1 3.98Å; L129-I133 HydrophobicContact CD1-CG1 4.45Å; L129-I133 HydrophobicContact CG-CD1 3.97Å; L129-I133 WeakPolarHBondContact O-CG1 3.28Å; L129-I133 PolarHBondContact O-N 2.92Å
130Q98.6Very high97.7Very high0 Ų046.1 Ų46.10%025%0.252CS..Hα-helixtrans-59-47173.9-74.5-165.74.500111.3P73 S86 V87 L114 D115 L126 Q127 S132 I133 F134P73-Q130 HydrophobicContact CB-CG 4.45Å; S86-Q130 WeakPolarHBondContact OG-CG 3.44Å; S86-Q130 PolarHBondContact OG-NE2 3.48Å; V87-Q130 HydrophobicContact CG1-CG 4.11Å; L114-Q130 HydrophobicContact CD2-CB 3.84Å; D115-Q130 PolarHBondContact O-NE2 3.48Å; D115-Q130 PolarHBondContact O-OE1 3.25Å; L126-Q130 PolarHBondContact O-N 3.15Å; Q127-Q130 PolarHBondContact O-N 3.26Å; Q130-S132 VanDerWaalsContact C-N 3.33Å; Q130-S132 PolarHBondContact O-N 3.12Å; Q130-I133 PolarHBondContact O-N 2.93Å; Q130-F134 WeakPolarHBondContact O-CB 3.45Å; Q130-F134 PolarHBondContact O-N 2.9Å
131K98.8Very high97.9Very high51 Ų5145.7 Ų45.722%0.22225%0.249CC..Hα-helixtrans-57-46.4176.7-65.3172-159.7155.10111.4L114 F116 Q127 D128 L129 I133 F134 T135 I162L114-K131 HydrophobicContact CD1-CG 4.33Å; L114-K131 HydrophobicContact CD2-CB 4.44Å; L114-K131 HydrophobicContact CD2-CG 3.92Å; F116-K131 HydrophobicContact CZ-CG 4.41Å; Q127-K131 VanDerWaalsContact O-CG 3.25Å; Q127-K131 WeakPolarHBondContact O-CG 3.25Å; Q127-K131 PolarHBondContact O-N 3.41Å; D128-K131 IonicContact OD1-NZ 2.85Å; D128-K131 PolarHBondContact OD1-NZ 3.13Å; L129-K131 PolarHBondContact O-N 2.93Å; K131-I133 PolarHBondContact O-N 3.31Å; K131-F134 PolarHBondContact O-N 2.95Å; K131-T135 WeakPolarHBondContact O-CB 3.39Å; K131-T135 PolarHBondContact O-N 3.02Å; K131-T135 PolarHBondContact O-OG1 3.01Å; K131-T135 VanDerWaalsContact O-OG1 3.12Å; K131-I162 HydrophobicContact CB-CD1 3.76Å; K131-I162 HydrophobicContact CD-CD1 4.19Å; K131-I162 HydrophobicContact CG-CD1 3.61Å
132S98.7Very high98.1Very high57 Ų5749.5 Ų49.540%0.39927%0.266SS..Hα-helixtrans-60.9-43.4178.5-59.90000112.2D128 L129 Q130 T135 I136D128-S132 WeakPolarHBondContact O-CB 3.41Å; D128-S132 PolarHBondContact O-N 2.95Å; D128-S132 PolarHBondContact O-OG 3.34Å; L129-S132 PolarHBondContact O-N 3.49Å; Q130-S132 VanDerWaalsContact C-N 3.33Å; Q130-S132 PolarHBondContact O-N 3.12Å; S132-T135 PolarHBondContact O-N 3.37Å; S132-I136 VanDerWaalsContact O-CG1 3.29Å; S132-I136 WeakPolarHBondContact O-CG1 3.49Å; S132-I136 PolarHBondContact O-N 3.15Å
133I98.8Very high98.3Very high3 Ų350.6 Ų50.62%0.01526%0.261CS..Hα-helixtrans-68.3-40.5178.3-74.2166000111.4V87 M89 L92 L129 Q130 K131 I136 Q137V87-I133 HydrophobicContact CB-CD1 4.44Å; V87-I133 HydrophobicContact CG1-CB 4.38Å; V87-I133 HydrophobicContact CG1-CD1 3.83Å; V87-I133 HydrophobicContact CG1-CG2 4.03Å; V87-I133 HydrophobicContact CG2-CD1 4.11Å; V87-I133 HydrophobicContact CG2-CG2 4.21Å; M89-I133 HydrophobicContact CE-CG1 4.16Å; M89-I133 HydrophobicContact SD-CD1 4.31Å; M89-I133 HydrophobicContact SD-CG1 3.84Å; L92-I133 HydrophobicContact CD1-CB 4.36Å; L92-I133 HydrophobicContact CD1-CG1 4Å; L92-I133 HydrophobicContact CD1-CG2 4.01Å; L92-I133 HydrophobicContact CD2-CG2 4.11Å; L92-I133 HydrophobicContact CG-CG2 4.15Å; L129-I133 HydrophobicContact CD1-CD1 3.98Å; L129-I133 HydrophobicContact CD1-CG1 4.45Å; L129-I133 HydrophobicContact CG-CD1 3.97Å; L129-I133 WeakPolarHBondContact O-CG1 3.28Å; L129-I133 PolarHBondContact O-N 2.92Å; Q130-I133 PolarHBondContact O-N 2.93Å; K131-I133 PolarHBondContact O-N 3.31Å; I133-I136 PolarHBondContact O-N 2.98Å; I133-Q137 WeakPolarHBondContact O-CG 3.23Å; I133-Q137 PolarHBondContact O-N 3.02Å
134F98.9Very high98.4Very high1 Ų149.4 Ų49.40%0.00425%0.252CS..Hα-helixtrans-60.6-48.9174.3-179.5-146.9000111I112 L114 Q130 K131 I136 Q137 I138 V150 T159 I162 L163I112-F134 HydrophobicContact CB-CD2 4.13Å; I112-F134 HydrophobicContact CB-CE2 4.38Å; I112-F134 HydrophobicContact CD1-CD2 3.82Å; I112-F134 HydrophobicContact CD1-CE2 3.66Å; I112-F134 HydrophobicContact CG1-CD2 3.97Å; I112-F134 HydrophobicContact CG1-CE2 3.75Å; L114-F134 HydrophobicContact CD2-CB 4.27Å; L114-F134 HydrophobicContact CD2-CD1 4.15Å; L114-F134 HydrophobicContact CG-CD1 4.01Å; L114-F134 HydrophobicContact CG-CE1 4.48Å; Q130-F134 WeakPolarHBondContact O-CB 3.45Å; Q130-F134 PolarHBondContact O-N 2.9Å; K131-F134 PolarHBondContact O-N 2.95Å; F134-I136 PolarHBondContact O-N 2.95Å; F134-Q137 PolarHBondContact O-N 3.36Å; F134-Q137 VanDerWaalsContact O-N 3.1Å; F134-I138 HydrophobicContact CD1-CD1 4.03Å; F134-I138 HydrophobicContact CD2-CD1 3.8Å; F134-I138 HydrophobicContact CD2-CG1 3.93Å; F134-I138 HydrophobicContact CE1-CD1 3.83Å; F134-I138 HydrophobicContact CE2-CD1 3.58Å; F134-I138 HydrophobicContact CE2-CG1 3.71Å; F134-I138 HydrophobicContact CG-CD1 4.02Å; F134-I138 HydrophobicContact CZ-CD1 3.62Å; F134-I138 HydrophobicContact CZ-CG1 4.21Å; F134-I138 WeakPolarHBondContact O-CG1 3.48Å; F134-I138 PolarHBondContact O-N 3.04Å; F134-V150 HydrophobicContact CE2-CG1 4.01Å; F134-V150 HydrophobicContact CE2-CG2 4.3Å; F134-V150 HydrophobicContact CZ-CG1 3.6Å; F134-V150 HydrophobicContact CZ-CG2 4.29Å; F134-T159 HydrophobicContact CE1-CG2 4.05Å; F134-T159 HydrophobicContact CZ-CG2 4.15Å; F134-I162 HydrophobicContact CD1-CB 4.39Å; F134-I162 HydrophobicContact CD1-CD1 4.32Å; F134-I162 HydrophobicContact CD1-CG2 3.85Å; F134-I162 HydrophobicContact CE1-CB 4.26Å; F134-I162 HydrophobicContact CE1-CG2 3.96Å; F134-L163 HydrophobicContact CE1-CG 4.44Å; F134-L163 HydrophobicContact CE2-CD2 4.42Å; F134-L163 HydrophobicContact CZ-CD2 3.75Å; F134-L163 HydrophobicContact CZ-CG 4.01Å
135T98.8Very high98.4Very high37 Ų3750.4 Ų50.423%0.22725%0.254CS..Hα-helixtrans-56-44.8175.8-68.70000112.6K131 S132 Q137 I138 Q139 E166K131-T135 WeakPolarHBondContact O-CB 3.39Å; K131-T135 PolarHBondContact O-N 3.02Å; K131-T135 PolarHBondContact O-OG1 3.01Å; K131-T135 VanDerWaalsContact O-OG1 3.12Å; S132-T135 PolarHBondContact O-N 3.37Å; T135-Q137 VanDerWaalsContact C-N 3.27Å; T135-Q137 PolarHBondContact O-N 3.1Å; T135-I138 PolarHBondContact O-N 3.31Å; T135-Q139 HydrophobicContact CG2-CG 4.47Å; T135-Q139 WeakPolarHBondContact O-CG 3.34Å; T135-Q139 PolarHBondContact O-N 2.93Å; T135-E166 HydrophobicContact CG2-CG 4.42Å; T135-E166 WeakPolarHBondContact CG2-OE2 3.47Å
136I98.7Very high98.4Very high83 Ų8344 Ų4443%0.42623%0.225SC..Hα-helixtrans-57.2-42.4176.9-71.7163.9000111.3M89 L92 S132 I133 F134 Q139 L140M89-I136 HydrophobicContact CE-CD1 3.92Å; M89-I136 HydrophobicContact SD-CD1 4.15Å; L92-I136 HydrophobicContact CD1-CB 4.46Å; L92-I136 HydrophobicContact CD1-CD1 4.18Å; L92-I136 HydrophobicContact CD1-CG2 4.11Å; S132-I136 VanDerWaalsContact O-CG1 3.29Å; S132-I136 WeakPolarHBondContact O-CG1 3.49Å; S132-I136 PolarHBondContact O-N 3.15Å; I133-I136 PolarHBondContact O-N 2.98Å; F134-I136 PolarHBondContact O-N 2.95Å; I136-Q139 PolarHBondContact O-N 3.24Å; I136-L140 PolarHBondContact O-N 3.12Å; I136-L140 VanDerWaalsContact O-N 3.15Å
137Q98.8Very high98.5Very high6 Ų641.8 Ų41.83%0.02821%0.214CC..Hα-helixtrans-73.9-37.3-178.8-63.4-175.597.500112.2I71 L92 I109 I112 I133 F134 T135 Q139 L140 A141I71-Q137 PolarHBondContact O-NE2 3.17Å; L92-Q137 HydrophobicContact CD2-CG 4.19Å; I109-Q137 HydrophobicContact CG2-CB 4.24Å; I112-Q137 HydrophobicContact CB-CB 4.36Å; I112-Q137 HydrophobicContact CD1-CB 3.92Å; I112-Q137 HydrophobicContact CG2-CB 3.87Å; I112-Q137 HydrophobicContact CG2-CG 4.19Å; I133-Q137 WeakPolarHBondContact O-CG 3.23Å; I133-Q137 PolarHBondContact O-N 3.02Å; F134-Q137 PolarHBondContact O-N 3.36Å; F134-Q137 VanDerWaalsContact O-N 3.1Å; T135-Q137 VanDerWaalsContact C-N 3.27Å; T135-Q137 PolarHBondContact O-N 3.1Å; Q137-Q139 VanDerWaalsContact C-N 3.32Å; Q137-Q139 PolarHBondContact O-N 3Å; Q137-L140 PolarHBondContact O-N 3.43Å; Q137-A141 PolarHBondContact O-N 2.9Å
138I98.9Very high98.5Very high0 Ų039.2 Ų39.20%020%0.202CC..Hα-helixtrans-58.8-44.4170.9-67.1164.5000110.7I112 F134 T135 L140 A141 K142 I162 L163 E166 I168I112-I138 HydrophobicContact CD1-CG1 4.14Å; F134-I138 HydrophobicContact CD1-CD1 4.03Å; F134-I138 HydrophobicContact CD2-CD1 3.8Å; F134-I138 HydrophobicContact CD2-CG1 3.93Å; F134-I138 HydrophobicContact CE1-CD1 3.83Å; F134-I138 HydrophobicContact CE2-CD1 3.58Å; F134-I138 HydrophobicContact CE2-CG1 3.71Å; F134-I138 HydrophobicContact CG-CD1 4.02Å; F134-I138 HydrophobicContact CZ-CD1 3.62Å; F134-I138 HydrophobicContact CZ-CG1 4.21Å; F134-I138 WeakPolarHBondContact O-CG1 3.48Å; F134-I138 PolarHBondContact O-N 3.04Å; T135-I138 PolarHBondContact O-N 3.31Å; I138-L140 VanDerWaalsContact C-N 3.29Å; I138-L140 PolarHBondContact O-N 3.28Å; I138-A141 WeakPolarHBondContact O-CB 3.5Å; I138-A141 PolarHBondContact O-N 3.45Å; I138-A141 VanDerWaalsContact O-N 3.13Å; I138-K142 HydrophobicContact CG2-CD 4.19Å; I138-K142 WeakPolarHBondContact O-CG 3.12Å; I138-K142 PolarHBondContact O-N 3.07Å; I138-I162 HydrophobicContact CD1-CG2 3.73Å; I138-L163 HydrophobicContact CD1-CD2 3.95Å; I138-L163 HydrophobicContact CG1-CD2 4.31Å; I138-E166 HydrophobicContact CD1-CG 4.15Å; I138-E166 HydrophobicContact CG2-CB 3.66Å; I138-E166 HydrophobicContact CG2-CG 4.08Å; I138-I168 HydrophobicContact CG2-CB 4Å; I138-I168 HydrophobicContact CG2-CD1 3.94Å; I138-I168 HydrophobicContact CG2-CG2 4.08Å
139Q98.7Very high98.5Very high82 Ų8235.8 Ų35.838%0.38318%0.183SC..Hα-helixtrans-65.9-33.8-179.9-71.1-700.400112.2T135 I136 Q137 K142 Q143 E166T135-Q139 HydrophobicContact CG2-CG 4.47Å; T135-Q139 WeakPolarHBondContact O-CG 3.34Å; T135-Q139 PolarHBondContact O-N 2.93Å; I136-Q139 PolarHBondContact O-N 3.24Å; Q137-Q139 VanDerWaalsContact C-N 3.32Å; Q137-Q139 PolarHBondContact O-N 3Å; Q139-K142 PolarHBondContact O-N 3.39Å; Q139-Q143 WeakPolarHBondContact O-CB 3.44Å; Q139-Q143 PolarHBondContact O-N 2.9Å; Q139-E166 VanDerWaalsContact CD-OE2 3.31Å; Q139-E166 WeakPolarHBondContact CG-OE2 3.35Å; Q139-E166 PolarHBondContact NE2-OE2 3.42Å
140L98.5Very high98.5Very high8 Ų833.5 Ų33.54%0.04217%0.171CC..Hα-helixtrans-65.8-42.3170.7-177.757.2000111.9R96 I99 L100 I136 Q137 I138 K142 Q143 L144R96-L140 HydrophobicContact CB-CD2 4.46Å; R96-L140 HydrophobicContact CG-CD1 4.4Å; R96-L140 HydrophobicContact CG-CD2 4.34Å; I99-L140 HydrophobicContact CB-CD2 3.99Å; I99-L140 HydrophobicContact CD1-CD2 3.75Å; I99-L140 HydrophobicContact CG1-CD2 4.48Å; I99-L140 HydrophobicContact CG2-CD2 3.71Å; I99-L140 HydrophobicContact CG2-CG 4.21Å; L100-L140 HydrophobicContact CD2-CD1 3.99Å; L100-L140 HydrophobicContact CG-CD1 4.43Å; I136-L140 PolarHBondContact O-N 3.12Å; I136-L140 VanDerWaalsContact O-N 3.15Å; Q137-L140 PolarHBondContact O-N 3.43Å; I138-L140 VanDerWaalsContact C-N 3.29Å; I138-L140 PolarHBondContact O-N 3.28Å; L140-K142 VanDerWaalsContact C-N 3.33Å; L140-K142 PolarHBondContact O-N 3.48Å; L140-Q143 WeakPolarHBondContact O-CB 3.49Å; L140-Q143 PolarHBondContact O-N 3.2Å; L140-L144 HydrophobicContact CD1-CD1 4.02Å; L140-L144 HydrophobicContact CD1-CG 4.29Å; L140-L144 HydrophobicContact CG-CD1 4.2Å; L140-L144 WeakPolarHBondContact O-CG 3.1Å; L140-L144 PolarHBondContact O-N 2.98Å
141A98.6Very high98.5Very high0 Ų034.4 Ų34.40%018%0.175CC..Hα-helixtrans-57.8-45.7174.400000111.6I109 Q137 I138 L144 N145 L146 V148 I168I109-A141 HydrophobicContact CB-CB 3.91Å; I109-A141 HydrophobicContact CG1-CB 3.57Å; Q137-A141 PolarHBondContact O-N 2.9Å; I138-A141 WeakPolarHBondContact O-CB 3.5Å; I138-A141 PolarHBondContact O-N 3.45Å; I138-A141 VanDerWaalsContact O-N 3.13Å; A141-L144 CarbonylContact O-C 3.59Å; A141-L144 PolarHBondContact O-N 3.17Å; A141-L144 VanDerWaalsContact O-N 3.16Å; A141-N145 PolarHBondContact O-N 2.98Å; A141-L146 PolarHBondContact O-N 2.98Å; A141-V148 HydrophobicContact CB-CG1 3.48Å; A141-V148 VanDerWaalsContact CB-CG1 3.48Å; A141-I168 HydrophobicContact CB-CD1 4Å
142K98.2Very high98.5Very high84 Ų8432.2 Ų32.237%0.36517%0.166SC..Hα-helixtrans-61-45.1175.5-71.7173.462.8-164.90112.4I138 Q139 L140 L144 N145 E166 I168I138-K142 HydrophobicContact CG2-CD 4.19Å; I138-K142 WeakPolarHBondContact O-CG 3.12Å; I138-K142 PolarHBondContact O-N 3.07Å; Q139-K142 PolarHBondContact O-N 3.39Å; L140-K142 VanDerWaalsContact C-N 3.33Å; L140-K142 PolarHBondContact O-N 3.48Å; K142-L144 PolarHBondContact O-N 2.91Å; K142-N145 PolarHBondContact O-N 3.17Å; K142-N145 VanDerWaalsContact O-N 3.09Å; K142-E166 WeakPolarHBondContact CD-O 3.32Å; K142-E166 VanDerWaalsContact CE-O 3.25Å; K142-E166 WeakPolarHBondContact CE-O 3.49Å; K142-E166 PolarHBondContact NZ-O 2.89Å; K142-I168 HydrophobicContact CG-CB 4.41Å; K142-I168 HydrophobicContact CG-CD1 4.25Å; K142-I168 HydrophobicContact CG-CG1 4.39Å
143Q97.9Very high98.3Very high109 Ų10933.2 Ų33.251%0.50916%0.164SC..Hα-helixtrans-57.2-35.4176.3-173.9-170.3-31.800111.7Q139 L140Q139-Q143 WeakPolarHBondContact O-CB 3.44Å; Q139-Q143 PolarHBondContact O-N 2.9Å; L140-Q143 WeakPolarHBondContact O-CB 3.49Å; L140-Q143 PolarHBondContact O-N 3.2Å
144L97.5Very high98.1Very high37 Ų3736.5 Ų36.519%0.19419%0.188CC..Hα-helixtrans-92.8-2.4-179.5-63.7176.1000113.9I99 L100 K103 I109 L140 A141 K142 L146I99-L144 HydrophobicContact CG2-CD1 3.72Å; L100-L144 HydrophobicContact CD2-CD1 4.5Å; L100-L144 HydrophobicContact CD2-CD2 3.97Å; K103-L144 HydrophobicContact CB-CD1 4.43Å; K103-L144 HydrophobicContact CB-CD2 4.08Å; K103-L144 HydrophobicContact CD-CD2 4.11Å; I109-L144 HydrophobicContact CD1-CD1 4.46Å; L140-L144 HydrophobicContact CD1-CD1 4.02Å; L140-L144 HydrophobicContact CD1-CG 4.29Å; L140-L144 HydrophobicContact CG-CD1 4.2Å; L140-L144 WeakPolarHBondContact O-CG 3.1Å; L140-L144 PolarHBondContact O-N 2.98Å; A141-L144 CarbonylContact O-C 3.59Å; A141-L144 PolarHBondContact O-N 3.17Å; A141-L144 VanDerWaalsContact O-N 3.16Å; K142-L144 PolarHBondContact O-N 2.91Å; L144-L146 HydrophobicContact CB-CB 4.39Å; L144-L146 HydrophobicContact CB-CD1 3.77Å; L144-L146 HydrophobicContact CB-CG 3.8Å; L144-L146 HydrophobicContact CD1-CD1 3.98Å; L144-L146 PolarHBondContact O-N 3.27Å
145N97.3Very high98Very high114 Ų11436.4 Ų36.461%0.6119%0.187SC*.THydrogen-bonded Turntrans53.535-171.6-171.723.7000113.5A141 K142 K170A141-N145 PolarHBondContact O-N 2.98Å; K142-N145 PolarHBondContact O-N 3.17Å; K142-N145 VanDerWaalsContact O-N 3.09Å; N145-K170 PolarHBondContact O-NZ 3.45Å; N145-K170 PolarHBondContact OD1-NZ 2.89Å
146L98.3Very high97.9Very high27 Ų2735 Ų3514%0.14118%0.181CC..  trans-98.7149.2179.7-69.5176.9000111.4I106 I109 A141 L144I106-L146 HydrophobicContact CD1-CD1 3.64Å; I106-L146 HydrophobicContact CG1-CD1 3.83Å; I109-L146 HydrophobicContact CD1-CD1 4.18Å; I109-L146 HydrophobicContact CG1-CB 4.48Å; I109-L146 HydrophobicContact CG1-CD1 4.44Å; A141-L146 PolarHBondContact O-N 2.98Å; L144-L146 HydrophobicContact CB-CB 4.39Å; L144-L146 HydrophobicContact CB-CD1 3.77Å; L144-L146 HydrophobicContact CB-CG 3.8Å; L144-L146 HydrophobicContact CD1-CD1 3.98Å; L144-L146 PolarHBondContact O-N 3.27Å
147P98.7Very high97.8Very high4 Ų436.8 Ų36.83%0.02619%0.185CC..  trans-65.8159167.830.6-36.7000112V107 G108 I109 K170 L269 Y270V107-P147 WeakPolarHBondContact O-CD 3.27Å; V107-P147 WeakPolarHBondContact O-CG 3.45Å; G108-P147 CarbonylContact C-O 3.22Å; G108-P147 VanDerWaalsContact CA-O 3.31Å; G108-P147 WeakPolarHBondContact CA-O 3.44Å; I109-P147 PolarHBondContact N-O 3.25Å; P147-K170 CarbonylContact C-O 3.54Å; P147-K170 VanDerWaalsContact CA-O 3.23Å; P147-K170 WeakPolarHBondContact CA-O 3.09Å; P147-K170 HydrophobicContact CB-CB 3.87Å; P147-L269 HydrophobicContact CB-CD1 3.83Å; P147-L269 HydrophobicContact CB-CG 4.03Å; P147-Y270 HydrophobicContact CB-CD1 4.26Å; P147-Y270 HydrophobicContact CB-CE1 4.12Å; P147-Y270 HydrophobicContact CG-CD1 3.32Å; P147-Y270 HydrophobicContact CG-CE1 3.51Å; P147-Y270 HydrophobicContact CG-CG 4.1Å
148V98.9Very high97.7Very high0 Ų039.9 Ų39.90%020%0.199CC..EExtended strand (participates in β ladder)trans-106.3139.1168.4-69.20000111.6I109 I112 A141 V150 L163 I168 K170 A171 Q172I109-V148 HydrophobicContact CB-CG1 4.36Å; I109-V148 CarbonylContact O-C 3.49Å; I109-V148 VanDerWaalsContact O-CA 3.27Å; I109-V148 WeakPolarHBondContact O-CA 3.41Å; I112-V148 HydrophobicContact CD1-CB 4.05Å; I112-V148 HydrophobicContact CD1-CG1 3.71Å; A141-V148 HydrophobicContact CB-CG1 3.48Å; A141-V148 VanDerWaalsContact CB-CG1 3.48Å; V148-V150 HydrophobicContact CB-CG2 3.85Å; V148-V150 HydrophobicContact CG2-CG2 3.56Å; V148-L163 HydrophobicContact CG2-CD2 3.93Å; V148-I168 HydrophobicContact CB-CD1 4.21Å; V148-I168 HydrophobicContact CG1-CD1 3.46Å; V148-I168 VanDerWaalsContact CG1-CD1 3.46Å; V148-I168 HydrophobicContact CG2-CD1 3.74Å; V148-I168 HydrophobicContact CG2-CG1 4.39Å; V148-I168 HydrophobicContact CG2-CG2 4.43Å; V148-K170 PolarHBondContact N-O 3.34Å; V148-A171 HydrophobicContact CG2-CB 3.64Å; V148-A171 WeakPolarHBondContact O-CA 3.25Å; V148-Q172 PolarHBondContact O-N 3.27Å
149N98.9Very high97.7Very high0 Ų039.9 Ų39.90%020%0.199CC..EExtended strand (participates in β ladder)trans-108115168.7-163.8-36.5000108.7T13 H14 L44 I109 I112 Q172 Y270T13-N149 PolarHBondContact O-ND2 2.93Å; H14-N149 PolarHBondContact CE1-OD1 3.29Å; H14-N149 PolarHBondContact ND1-ND2 3.31Å; H14-N149 PolarHBondContact ND1-OD1 2.94Å; L44-N149 HydrophobicContact CD1-CB 3.91Å; I109-N149 PolarHBondContact O-N 3.12Å; I112-N149 PolarHBondContact N-O 2.91Å; N149-Q172 PolarHBondContact ND2-NE2 2.87Å; N149-Q172 VanDerWaalsContact ND2-NE2 3.17Å; N149-Y270 WeakPolarHBondContact CB-OH 3.46Å; N149-Y270 PolarHBondContact ND2-OH 3.06Å
150V98.9Very high97.6Very high0 Ų036 Ų360%018%0.181CC..EExtended strand (participates in β ladder)trans-116.5121.5-156.1-176.90000112.3I112 F134 V148 T159 L163 Q172 H174I112-V150 CarbonylContact O-C 3.6Å; I112-V150 WeakPolarHBondContact O-CA 3.49Å; F134-V150 HydrophobicContact CE2-CG1 4.01Å; F134-V150 HydrophobicContact CE2-CG2 4.3Å; F134-V150 HydrophobicContact CZ-CG1 3.6Å; F134-V150 HydrophobicContact CZ-CG2 4.29Å; V148-V150 HydrophobicContact CB-CG2 3.85Å; V148-V150 HydrophobicContact CG2-CG2 3.56Å; V150-T159 HydrophobicContact CG1-CG2 3.46Å; V150-T159 VanDerWaalsContact CG1-CG2 3.46Å; V150-L163 HydrophobicContact CG1-CD1 4.45Å; V150-L163 HydrophobicContact CG2-CD1 4.35Å; V150-L163 HydrophobicContact CG2-CD2 4.14Å; V150-Q172 WeakPolarHBondContact CB-O 3.44Å; V150-Q172 PolarHBondContact N-O 2.88Å; V150-H174 PolarHBondContact O-CD2 2.82Å; V150-H174 PolarHBondContact O-N 2.92Å
151H98.6Very high97.6Very high20 Ų2038.6 Ų38.69%0.09320%0.195CC..EExtended strand (participates in β ladder)trans-72.4134.2163.8-166.878.4000111.7H72 P73 E111 I112 G113 L114 D115 H153 H174H72-H151 AromaticContact CD2-CG 3.98Å; H72-H151 AromaticContact NE2-CD2 3.71Å; H72-H151 AromaticContact NE2-CE1 3.43Å; H72-H151 PolarHBondContact NE2-CE1 3.15Å; H72-H151 AromaticContact NE2-CG 3.28Å; H72-H151 VanDerWaalsContact NE2-CG 3.28Å; H72-H151 AromaticContact NE2-ND1 3.11Å; H72-H151 PolarHBondContact NE2-ND1 3.26Å; H72-H151 VanDerWaalsContact NE2-ND1 3.11Å; H72-H151 AromaticContact NE2-NE2 3.81Å; P73-H151 HydrophobicContact CG-CB 4.17Å; E111-H151 HydrophobicContact CG-CB 3.94Å; E111-H151 WeakPolarHBondContact OE1-CB 3.5Å; E111-H151 IonicContact OE1-CG 3.95Å; E111-H151 IonicContact OE1-ND1 3.84Å; E111-H151 PolarHBondContact OE1-ND1 2.99Å; I112-H151 PolarHBondContact O-N 3.09Å; G113-H151 VanDerWaalsContact CA-O 3.31Å; G113-H151 WeakPolarHBondContact CA-O 3.34Å; L114-H151 PolarHBondContact N-O 2.87Å; L114-H151 VanDerWaalsContact N-O 3.14Å; L114-H151 PolarHBondContact O-CD2 3.11Å; D115-H151 IonicContact OD2-NE2 3.33Å; H151-H153 WeakPolarHBondContact NE2-CB 3.48Å; H151-H174 AromaticContact ND1-NE2 3.3Å; H151-H174 PolarHBondContact ND1-NE2 3.13Å
152S97.2Very high97.6Very high4 Ų439.6 Ų39.63%0.02820%0.2CC..EExtended strand (participates in β ladder)trans-146.8110.3168.4164.30000109.6L114 G156L114-S152 WeakPolarHBondContact O-CA 3.49Å; S152-G156 VanDerWaalsContact OG-CA 3.23Å; S152-G156 WeakPolarHBondContact OG-CA 3.27Å; S152-G156 PolarHBondContact OG-N 3.39Å
153H95.6Very high97.6Very high78 Ų7835.6 Ų35.636%0.36118%0.183SC..EExtended strand (participates in β ladder)trans-127.1123.4173.5-160.481.1000111.2L114 D115 F116 T117 H151 A155 D177L114-H153 PolarHBondContact O-N 2.94Å; D115-H153 HydrophobicContact CB-CB 4.42Å; F116-H153 PolarHBondContact N-O 3.29Å; T117-H153 PolarHBondContact OG1-CD2 3.46Å; H151-H153 WeakPolarHBondContact NE2-CB 3.48Å; H153-A155 PolarHBondContact O-N 2.92Å; H153-D177 WeakPolarHBondContact CA-OD2 3.23Å; H153-D177 IonicContact CE1-OD2 3.71Å; H153-D177 IonicContact CG-OD2 2.71Å; H153-D177 IonicContact ND1-OD2 3.85Å; H153-D177 PolarHBondContact ND1-OD2 2.8Å
154S94.7Very high97.6Very high72 Ų7235 Ų3550%0.50318%0.179SC..SBendtrans53.520-172.9-60.90000114.6D177S154-D177 PolarHBondContact N-OD2 3.38Å
155A96.3Very high97.6Very high0 Ų037.4 Ų37.40%020%0.198CC..  trans-139.822.9-171.100000112.8L114 F116 H153 K157 E158 T159L114-A155 HydrophobicContact CB-CB 3.57Å; L114-A155 HydrophobicContact CD1-CB 4.21Å; F116-A155 HydrophobicContact CB-CB 4.2Å; F116-A155 HydrophobicContact CD1-CB 4.18Å; F116-A155 HydrophobicContact CD2-CB 3.64Å; F116-A155 HydrophobicContact CE1-CB 4.47Å; F116-A155 HydrophobicContact CE2-CB 3.98Å; F116-A155 HydrophobicContact CG-CB 3.74Å; F116-A155 HydrophobicContact CZ-CB 4.37Å; H153-A155 PolarHBondContact O-N 2.92Å; A155-K157 VanDerWaalsContact C-N 3.31Å; A155-K157 PolarHBondContact O-N 2.71Å; A155-E158 PolarHBondContact O-N 3.45Å; A155-T159 WeakPolarHBondContact O-CB 3.43Å; A155-T159 PolarHBondContact O-N 2.88Å; A155-T159 PolarHBondContact O-OG1 3.2Å
156G96.2Very high97.7Very high8 Ų833.5 Ų33.58%0.08218%0.177CC..Hα-helixtrans-61.7-33.6-17000000114.8S152 I160S152-G156 VanDerWaalsContact OG-CA 3.23Å; S152-G156 WeakPolarHBondContact OG-CA 3.27Å; S152-G156 PolarHBondContact OG-N 3.39Å; G156-I160 WeakPolarHBondContact O-CG1 3.36Å; G156-I160 PolarHBondContact O-N 3.5Å
157K96.4Very high97.7Very high120 Ų12034.6 Ų34.652%0.52219%0.194SC..Hα-helixtrans-72-50.8177.4-177.7-171.9175-61.50110.3A155 T159 I160 D161A155-K157 VanDerWaalsContact C-N 3.31Å; A155-K157 PolarHBondContact O-N 2.71Å; K157-T159 VanDerWaalsContact C-N 3.29Å; K157-T159 PolarHBondContact O-N 2.76Å; K157-I160 PolarHBondContact O-N 2.85Å; K157-D161 IonicContact NZ-OD2 2.61Å; K157-D161 PolarHBondContact NZ-OD2 2.69Å; K157-D161 WeakPolarHBondContact O-CB 3.48Å; K157-D161 VanDerWaalsContact O-CG 3.29Å; K157-D161 PolarHBondContact O-N 2.77Å
158E97.6Very high97.6Very high70 Ų7034.8 Ų34.833%0.32720%0.195SC..Hα-helixtrans-62-38.6-178.2-67.777.1-169.600111.5L114 F116 A155 D161 I162L114-E158 HydrophobicContact CD1-CB 3.79Å; F116-E158 HydrophobicContact CE2-CB 4.13Å; F116-E158 HydrophobicContact CE2-CG 3.91Å; A155-E158 PolarHBondContact O-N 3.45Å; E158-D161 PolarHBondContact O-N 3.4Å; E158-I162 WeakPolarHBondContact O-CG1 3.46Å; E158-I162 PolarHBondContact O-N 3.25Å
159T98.3Very high97.5Very high0 Ų039.6 Ų39.60%022%0.224CC..Hα-helixtrans-60.7-50.4176.1-59.10000111F134 V150 A155 K157 I162 L163F134-T159 HydrophobicContact CE1-CG2 4.05Å; F134-T159 HydrophobicContact CZ-CG2 4.15Å; V150-T159 HydrophobicContact CG1-CG2 3.46Å; V150-T159 VanDerWaalsContact CG1-CG2 3.46Å; A155-T159 WeakPolarHBondContact O-CB 3.43Å; A155-T159 PolarHBondContact O-N 2.88Å; A155-T159 PolarHBondContact O-OG1 3.2Å; K157-T159 VanDerWaalsContact C-N 3.29Å; K157-T159 PolarHBondContact O-N 2.76Å; T159-I162 PolarHBondContact O-N 2.58Å; T159-L163 HydrophobicContact CG2-CD1 4.09Å; T159-L163 VanDerWaalsContact O-CG 3.3Å; T159-L163 WeakPolarHBondContact O-CG 3.46Å; T159-L163 PolarHBondContact O-N 3.29Å
160I97.8Very high97.5Very high1 Ų142.9 Ų42.91%0.00524%0.239CC..Hα-helixtrans-66.1-41.4179.9-68.1179.9000111.2G156 K157 I162 L163 K164 I173 F176 T182 I185G156-I160 WeakPolarHBondContact O-CG1 3.36Å; G156-I160 PolarHBondContact O-N 3.5Å; K157-I160 PolarHBondContact O-N 2.85Å; I160-I162 VanDerWaalsContact C-N 3.32Å; I160-I162 PolarHBondContact O-N 2.83Å; I160-L163 PolarHBondContact O-N 3.19Å; I160-K164 VanDerWaalsContact O-CB 3.29Å; I160-K164 WeakPolarHBondContact O-CB 3.26Å; I160-K164 PolarHBondContact O-N 2.94Å; I160-I173 HydrophobicContact CD1-CD1 4.28Å; I160-I173 HydrophobicContact CG1-CD1 3.9Å; I160-F176 HydrophobicContact CD1-CE2 4.46Å; I160-T182 HydrophobicContact CD1-CG2 3.71Å; I160-T182 WeakPolarHBondContact CD1-O 3.27Å; I160-I185 HydrophobicContact CG2-CB 4.18Å; I160-I185 HydrophobicContact CG2-CG2 3.75Å
161D97.7Very high97.5Very high63 Ų6342.9 Ų42.934%0.33724%0.239SC..Hα-helixtrans-60.4-42.2178.5-73.1-18.1000111.6K157 E158 S165K157-D161 IonicContact NZ-OD2 2.61Å; K157-D161 PolarHBondContact NZ-OD2 2.69Å; K157-D161 WeakPolarHBondContact O-CB 3.48Å; K157-D161 VanDerWaalsContact O-CG 3.29Å; K157-D161 PolarHBondContact O-N 2.77Å; E158-D161 PolarHBondContact O-N 3.4Å; D161-S165 WeakPolarHBondContact O-CB 3.27Å; D161-S165 PolarHBondContact O-N 3Å; D161-S165 PolarHBondContact O-OG 2.99Å
162I98.6Very high97.5Very high20 Ų2042 Ų4210%0.10323%0.234CC..Hα-helixtrans-67.8-47.7176.9-70.7173.5000111.1L114 K131 F134 I138 E158 T159 I160 K164 S165 E166L114-I162 HydrophobicContact CD1-CD1 4.14Å; K131-I162 HydrophobicContact CB-CD1 3.76Å; K131-I162 HydrophobicContact CD-CD1 4.19Å; K131-I162 HydrophobicContact CG-CD1 3.61Å; F134-I162 HydrophobicContact CD1-CB 4.39Å; F134-I162 HydrophobicContact CD1-CD1 4.32Å; F134-I162 HydrophobicContact CD1-CG2 3.85Å; F134-I162 HydrophobicContact CE1-CB 4.26Å; F134-I162 HydrophobicContact CE1-CG2 3.96Å; I138-I162 HydrophobicContact CD1-CG2 3.73Å; E158-I162 WeakPolarHBondContact O-CG1 3.46Å; E158-I162 PolarHBondContact O-N 3.25Å; T159-I162 PolarHBondContact O-N 2.58Å; I160-I162 VanDerWaalsContact C-N 3.32Å; I160-I162 PolarHBondContact O-N 2.83Å; I162-K164 PolarHBondContact O-N 3.01Å; I162-S165 WeakPolarHBondContact CA-OG 3.41Å; I162-S165 PolarHBondContact O-N 2.88Å; I162-S165 PolarHBondContact O-OG 3.5Å; I162-E166 HydrophobicContact CG2-CG 4.02Å; I162-E166 WeakPolarHBondContact O-CB 3.42Å; I162-E166 WeakPolarHBondContact O-CG 3.33Å; I162-E166 PolarHBondContact O-N 3.39Å
163L98.6Very high97.5Very high0 Ų041.8 Ų41.80%023%0.233CC..Hα-helixtrans-55.3-43.7177.6-70.5169.7000111F134 I138 V148 V150 T159 I160 G167 I168 A171 I173 Y191F134-L163 HydrophobicContact CE1-CG 4.44Å; F134-L163 HydrophobicContact CE2-CD2 4.42Å; F134-L163 HydrophobicContact CZ-CD2 3.75Å; F134-L163 HydrophobicContact CZ-CG 4.01Å; I138-L163 HydrophobicContact CD1-CD2 3.95Å; I138-L163 HydrophobicContact CG1-CD2 4.31Å; V148-L163 HydrophobicContact CG2-CD2 3.93Å; V150-L163 HydrophobicContact CG1-CD1 4.45Å; V150-L163 HydrophobicContact CG2-CD1 4.35Å; V150-L163 HydrophobicContact CG2-CD2 4.14Å; T159-L163 HydrophobicContact CG2-CD1 4.09Å; T159-L163 VanDerWaalsContact O-CG 3.3Å; T159-L163 WeakPolarHBondContact O-CG 3.46Å; T159-L163 PolarHBondContact O-N 3.29Å; I160-L163 PolarHBondContact O-N 3.19Å; L163-G167 PolarHBondContact O-N 3.16Å; L163-I168 HydrophobicContact CB-CG2 4Å; L163-I168 HydrophobicContact CD2-CG2 3.47Å; L163-I168 VanDerWaalsContact CD2-CG2 3.47Å; L163-I168 HydrophobicContact CG-CG2 4.36Å; L163-I168 PolarHBondContact O-N 3.32Å; L163-A171 HydrophobicContact CD1-CB 4.36Å; L163-I173 HydrophobicContact CD1-CD1 4.26Å; L163-I173 HydrophobicContact CD1-CG1 4.23Å; L163-Y191 HydrophobicContact CB-CE2 3.75Å; L163-Y191 WeakPolarHBondContact CB-OH 3.34Å; L163-Y191 HydrophobicContact CD1-CD2 4.34Å; L163-Y191 HydrophobicContact CD1-CE2 4.01Å; L163-Y191 PolarHBondContact O-OH 3.38Å
164K97.9Very high97.7Very high98 Ų9838.5 Ų38.543%0.42622%0.218SC..Hα-helixtrans-64.8-47.8176.5-179.6173.5178.8141.80112.4I160 I162 E166 G167 E189 Y191I160-K164 VanDerWaalsContact O-CB 3.29Å; I160-K164 WeakPolarHBondContact O-CB 3.26Å; I160-K164 PolarHBondContact O-N 2.94Å; I162-K164 PolarHBondContact O-N 3.01Å; K164-E166 VanDerWaalsContact C-N 3.29Å; K164-E166 PolarHBondContact O-N 3.26Å; K164-G167 PolarHBondContact O-N 3.45Å; K164-E189 HydrophobicContact CB-CG 4.47Å; K164-E189 HydrophobicContact CD-CG 4.31Å; K164-E189 WeakPolarHBondContact CD-OE1 3.44Å; K164-E189 WeakPolarHBondContact CE-OE1 3.25Å; K164-E189 HydrophobicContact CG-CG 4.36Å; K164-E189 IonicContact NZ-OE1 3.41Å; K164-E189 PolarHBondContact NZ-OE1 3.1Å; K164-Y191 PolarHBondContact N-OH 3.41Å
165S98.1Very high97.8Very high86 Ų8635.6 Ų35.660%0.60120%0.198SC*.Hα-helixtrans-64.9-35.8-179.269.10000112.4D161 I162 G167D161-S165 WeakPolarHBondContact O-CB 3.27Å; D161-S165 PolarHBondContact O-N 3Å; D161-S165 PolarHBondContact O-OG 2.99Å; I162-S165 WeakPolarHBondContact CA-OG 3.41Å; I162-S165 PolarHBondContact O-N 2.88Å; I162-S165 PolarHBondContact O-OG 3.5Å; S165-G167 PolarHBondContact O-N 3.45Å
166E98.3Very high97.8Very high33 Ų3335.7 Ų35.715%0.15420%0.199CC..Hα-helixtrans-73.7-12.6175.5-64.6-57.9118.500112.3T135 I138 Q139 K142 I162 K164 I168T135-E166 HydrophobicContact CG2-CG 4.42Å; T135-E166 WeakPolarHBondContact CG2-OE2 3.47Å; I138-E166 HydrophobicContact CD1-CG 4.15Å; I138-E166 HydrophobicContact CG2-CB 3.66Å; I138-E166 HydrophobicContact CG2-CG 4.08Å; Q139-E166 VanDerWaalsContact CD-OE2 3.31Å; Q139-E166 WeakPolarHBondContact CG-OE2 3.35Å; Q139-E166 PolarHBondContact NE2-OE2 3.42Å; K142-E166 WeakPolarHBondContact CD-O 3.32Å; K142-E166 VanDerWaalsContact CE-O 3.25Å; K142-E166 WeakPolarHBondContact CE-O 3.49Å; K142-E166 PolarHBondContact NZ-O 2.89Å; I162-E166 HydrophobicContact CG2-CG 4.02Å; I162-E166 WeakPolarHBondContact O-CB 3.42Å; I162-E166 WeakPolarHBondContact O-CG 3.33Å; I162-E166 PolarHBondContact O-N 3.39Å; K164-E166 VanDerWaalsContact C-N 3.29Å; K164-E166 PolarHBondContact O-N 3.26Å; E166-I168 VanDerWaalsContact C-N 3.29Å; E166-I168 PolarHBondContact O-N 3.43Å
167G97.7Very high97.5Very high49 Ų4937.3 Ų37.351%0.50521%0.205SC..THydrogen-bonded Turntrans66.828.5178.200000113.3L163 K164 S165L163-G167 PolarHBondContact O-N 3.16Å; K164-G167 PolarHBondContact O-N 3.45Å; S165-G167 PolarHBondContact O-N 3.45Å
168I97.9Very high97.2Very high9 Ų932.3 Ų32.35%0.04619%0.188CC..  trans-79.7133.7171.7-165.3156000109.3I138 A141 K142 V148 L163 E166 Y191I138-I168 HydrophobicContact CG2-CB 4Å; I138-I168 HydrophobicContact CG2-CD1 3.94Å; I138-I168 HydrophobicContact CG2-CG2 4.08Å; A141-I168 HydrophobicContact CB-CD1 4Å; K142-I168 HydrophobicContact CG-CB 4.41Å; K142-I168 HydrophobicContact CG-CD1 4.25Å; K142-I168 HydrophobicContact CG-CG1 4.39Å; V148-I168 HydrophobicContact CB-CD1 4.21Å; V148-I168 HydrophobicContact CG1-CD1 3.46Å; V148-I168 VanDerWaalsContact CG1-CD1 3.46Å; V148-I168 HydrophobicContact CG2-CD1 3.74Å; V148-I168 HydrophobicContact CG2-CG1 4.39Å; V148-I168 HydrophobicContact CG2-CG2 4.43Å; L163-I168 HydrophobicContact CB-CG2 4Å; L163-I168 HydrophobicContact CD2-CG2 3.47Å; L163-I168 VanDerWaalsContact CD2-CG2 3.47Å; L163-I168 HydrophobicContact CG-CG2 4.36Å; L163-I168 PolarHBondContact O-N 3.32Å; E166-I168 VanDerWaalsContact C-N 3.29Å; E166-I168 PolarHBondContact O-N 3.43Å; I168-Y191 WeakPolarHBondContact O-CE1 3.48Å; I168-Y191 PolarHBondContact O-OH 3.47Å
169T96.2Very high96.9Very high100 Ų10037.6 Ų37.661%0.61321%0.205SC*.  trans-109.5-17.1-17654.60000113.2
170K98.2Very high96.7Very high70 Ų7039.5 Ų39.530%0.30422%0.218SC..  trans-106.190.1179.9-63.6-179.8-175.6169.90109.4N145 P147 V148 L269N145-K170 PolarHBondContact O-NZ 3.45Å; N145-K170 PolarHBondContact OD1-NZ 2.89Å; P147-K170 CarbonylContact C-O 3.54Å; P147-K170 VanDerWaalsContact CA-O 3.23Å; P147-K170 WeakPolarHBondContact CA-O 3.09Å; P147-K170 HydrophobicContact CB-CB 3.87Å; V148-K170 PolarHBondContact N-O 3.34Å; K170-L269 HydrophobicContact CB-CD1 3.83Å
171A98.8Very high96.5Very high0 Ų043 Ų430%024%0.242CC..EExtended strand (participates in β ladder)trans-133.8135179.800000111.8V148 L163 Y191 Y192V148-A171 HydrophobicContact CG2-CB 3.64Å; V148-A171 WeakPolarHBondContact O-CA 3.25Å; L163-A171 HydrophobicContact CD1-CB 4.36Å; A171-Y191 HydrophobicContact CB-CD1 3.67Å; A171-Y191 HydrophobicContact CB-CE1 4.07Å; A171-Y191 HydrophobicContact CB-CG 3.96Å; A171-Y192 PolarHBondContact O-N 2.94Å
172Q98.8Very high96.4Very high0 Ų040.7 Ų40.70%023%0.23CC..EExtended strand (participates in β ladder)trans-101.5119.4159.4169.1178.4-26.700107.4T13 V148 N149 V150 Y192 S194 L218 L269 Y270T13-Q172 PolarHBondContact O-NE2 3.43Å; T13-Q172 PolarHBondContact OG1-NE2 3.07Å; T13-Q172 VanDerWaalsContact OG1-NE2 3.1Å; T13-Q172 PolarHBondContact OG1-OE1 3.22Å; V148-Q172 PolarHBondContact O-N 3.27Å; N149-Q172 PolarHBondContact ND2-NE2 2.87Å; N149-Q172 VanDerWaalsContact ND2-NE2 3.17Å; V150-Q172 WeakPolarHBondContact CB-O 3.44Å; V150-Q172 PolarHBondContact N-O 2.88Å; Q172-Y192 CarbonylContact C-O 3.53Å; Q172-Y192 WeakPolarHBondContact CA-O 3.39Å; Q172-S194 WeakPolarHBondContact CG-OG 3.05Å; Q172-S194 PolarHBondContact NE2-OG 3.37Å; Q172-L218 HydrophobicContact CB-CD1 4.05Å; Q172-L218 HydrophobicContact CG-CD1 3.87Å; Q172-L269 HydrophobicContact CB-CD2 3.7Å; Q172-Y270 VanDerWaalsContact OE1-CE2 3.32Å; Q172-Y270 PolarHBondContact OE1-OH 3.05Å
173I98.6Very high96.3Very high0 Ų039.7 Ų39.70%023%0.225CC..EExtended strand (participates in β ladder)trans-93.7105.1169.7-58171.9000107I160 L163 F176 Y191 Y192 F193 S194I160-I173 HydrophobicContact CD1-CD1 4.28Å; I160-I173 HydrophobicContact CG1-CD1 3.9Å; L163-I173 HydrophobicContact CD1-CD1 4.26Å; L163-I173 HydrophobicContact CD1-CG1 4.23Å; I173-F176 HydrophobicContact CG2-CB 4.08Å; I173-F176 HydrophobicContact CG2-CD2 3.6Å; I173-F176 HydrophobicContact CG2-CE2 4.46Å; I173-F176 HydrophobicContact CG2-CG 4.22Å; I173-Y191 HydrophobicContact CD1-CD2 3.87Å; I173-Y191 HydrophobicContact CD1-CG 4.49Å; I173-Y192 PolarHBondContact N-O 3.19Å; I173-F193 HydrophobicContact CB-CD1 3.95Å; I173-F193 HydrophobicContact CB-CE1 3.98Å; I173-F193 HydrophobicContact CD1-CD1 4.5Å; I173-F193 HydrophobicContact CD1-CE1 3.71Å; I173-F193 HydrophobicContact CD1-CZ 3.86Å; I173-F193 HydrophobicContact CG1-CE1 4.39Å; I173-F193 HydrophobicContact CG2-CD1 4.31Å; I173-F193 HydrophobicContact CG2-CE1 4.22Å; I173-S194 PolarHBondContact O-N 3.05Å
174H98.4Very high96.2Very high9 Ų942.9 Ų42.94%0.04224%0.241CC..THydrogen-bonded Turntrans-75.6148.4-174.4113114.3000111.4H14 E111 V150 H151 F176 S194 E220 D222H14-H174 AromaticContact CD2-ND1 3.61Å; H14-H174 AromaticContact CE1-CE1 3.85Å; H14-H174 AromaticContact CE1-CG 3.41Å; H14-H174 VanDerWaalsContact CE1-CG 3.41Å; H14-H174 AromaticContact CE1-ND1 3.24Å; H14-H174 PolarHBondContact CE1-ND1 3.36Å; H14-H174 AromaticContact CG-ND1 3.7Å; H14-H174 WeakPolarHBondContact ND1-CB 3.17Å; H14-H174 AromaticContact ND1-CG 3.54Å; H14-H174 AromaticContact ND1-ND1 3.48Å; H14-H174 PolarHBondContact ND1-ND1 3.23Å; H14-H174 AromaticContact NE2-CE1 3.74Å; H14-H174 AromaticContact NE2-ND1 3.36Å; H14-H174 PolarHBondContact NE2-ND1 3.24Å; E111-H174 IonicContact OE1-CD2 3.41Å; E111-H174 IonicContact OE1-CE1 3.67Å; E111-H174 IonicContact OE1-NE2 2.72Å; E111-H174 PolarHBondContact OE1-NE2 2.76Å; V150-H174 PolarHBondContact O-CD2 2.82Å; V150-H174 PolarHBondContact O-N 2.92Å; H151-H174 AromaticContact ND1-NE2 3.3Å; H151-H174 PolarHBondContact ND1-NE2 3.13Å; H174-F176 WeakPolarHBondContact O-CA 3.17Å; H174-F176 PolarHBondContact O-N 3.38Å; H174-S194 VanDerWaalsContact CA-OG 3.28Å; H174-S194 WeakPolarHBondContact CA-OG 3.34Å; H174-E220 WeakPolarHBondContact CB-OE2 3.31Å; H174-E220 IonicContact CG-OE2 3.99Å; H174-E220 IonicContact ND1-OE1 2.87Å; H174-E220 IonicContact ND1-OE2 2.73Å; H174-D222 IonicContact CE1-OD1 3.35Å; H174-D222 IonicContact CE1-OD2 2.82Å; H174-D222 IonicContact ND1-OD1 3.57Å
175A96.9Very high96.1Very high12 Ų1241.7 Ų41.710%0.09924%0.238CC..THydrogen-bonded Turntrans44.226.4171.600000117.3D177 S194 P196 K205 E220 L226A175-D177 PolarHBondContact O-N 3.48Å; A175-S194 PolarHBondContact N-O 3.03Å; A175-P196 HydrophobicContact CB-CG 4.03Å; A175-K205 WeakPolarHBondContact O-CE 3.39Å; A175-K205 PolarHBondContact O-NZ 3.13Å; A175-E220 WeakPolarHBondContact CA-OE1 3.42Å; A175-E220 WeakPolarHBondContact CB-OE1 3.36Å; A175-E220 PolarHBondContact N-OE1 3.3Å; A175-L226 HydrophobicContact CB-CD1 4.11Å
176F96.3Very high96.1Very high1 Ų137.6 Ų37.60%0.00421%0.21CC..  trans-45.2120.9-161.4-176.4-109.7000113.4I160 I173 H174 G178 T182 A183 F193 Q204 L208I160-F176 HydrophobicContact CD1-CE2 4.46Å; I173-F176 HydrophobicContact CG2-CB 4.08Å; I173-F176 HydrophobicContact CG2-CD2 3.6Å; I173-F176 HydrophobicContact CG2-CE2 4.46Å; I173-F176 HydrophobicContact CG2-CG 4.22Å; H174-F176 WeakPolarHBondContact O-CA 3.17Å; H174-F176 PolarHBondContact O-N 3.38Å; F176-G178 VanDerWaalsContact CE1-C 3.43Å; F176-G178 VanDerWaalsContact CE1-CA 3.43Å; F176-T182 HydrophobicContact CZ-CG2 3.86Å; F176-A183 HydrophobicContact CD1-CB 4.01Å; F176-A183 HydrophobicContact CE1-CB 3.7Å; F176-A183 HydrophobicContact CZ-CB 4.44Å; F176-F193 HydrophobicContact CB-CD1 3.85Å; F176-F193 HydrophobicContact CB-CE1 4.3Å; F176-F193 HydrophobicContact CD1-CD1 4.35Å; F176-F193 HydrophobicContact CD1-CE1 4.18Å; F176-F193 HydrophobicContact CD2-CE1 4.25Å; F176-F193 HydrophobicContact CG-CD1 4.04Å; F176-F193 AromaticContact CG-CE1 3.99Å; F176-F193 HydrophobicContact CG-CE1 3.99Å; F176-Q204 PolarHBondContact O-NE2 3.33Å; F176-L208 HydrophobicContact CB-CD2 4.02Å; F176-L208 HydrophobicContact CD1-CD1 4.27Å; F176-L208 HydrophobicContact CD1-CD2 4.03Å
177D90.8Very high96Very high42 Ų4237.9 Ų37.923%0.22521%0.212CC..  trans-97.2-6.1-17574-19.9000113.4H153 S154 A175 Q204H153-D177 WeakPolarHBondContact CA-OD2 3.23Å; H153-D177 IonicContact CE1-OD2 3.71Å; H153-D177 IonicContact CG-OD2 2.71Å; H153-D177 IonicContact ND1-OD2 3.85Å; H153-D177 PolarHBondContact ND1-OD2 2.8Å; S154-D177 PolarHBondContact N-OD2 3.38Å; A175-D177 PolarHBondContact O-N 3.48Å; D177-Q204 VanDerWaalsContact CA-NE2 3.26Å; D177-Q204 PolarHBondContact O-NE2 3.42Å; D177-Q204 VanDerWaalsContact O-NE2 3.15Å
178G89.9Confident96Very high16 Ų1639.8 Ų39.817%0.16522%0.218CC..SBendtrans-76.5179.8-179.400000114.4F176 Q204F176-G178 VanDerWaalsContact CE1-C 3.43Å; F176-G178 VanDerWaalsContact CE1-CA 3.43Å; G178-Q204 PolarHBondContact O-NE2 3.03Å
179R91.8Very high95.9Very high180 Ų18042.3 Ų42.368%0.67923%0.23SC*.  trans-73.7146.5177-62.6180-62.4-172.5-0.9110.6S181 T182 A183R179-S181 PolarHBondContact O-N 2.49Å; R179-S181 VanDerWaalsContact O-N 3.1Å; R179-T182 WeakPolarHBondContact O-CB 3Å; R179-T182 PolarHBondContact O-N 2.79Å; R179-A183 PolarHBondContact O-N 2.95Å
180P92.9Very high96Very high41 Ų4138.6 Ų38.627%0.26621%0.211SC..Hα-helixtrans-52.2-35.6175.4-29.535.9000114T182 A183 M184 A211P180-T182 VanDerWaalsContact C-N 3.28Å; P180-T182 PolarHBondContact O-N 2.93Å; P180-A183 WeakPolarHBondContact O-CB 3.44Å; P180-A183 PolarHBondContact O-N 3.46Å; P180-A183 VanDerWaalsContact O-N 3.1Å; P180-M184 WeakPolarHBondContact O-CG 3.34Å; P180-M184 PolarHBondContact O-N 2.99Å; P180-A211 HydrophobicContact CB-CB 4.1Å
181S94.7Very high96Very high74 Ų7435.3 Ų35.352%0.51720%0.197SC..Hα-helixtrans-60.8-34.7176.554.40000113.6R179R179-S181 PolarHBondContact O-N 2.49Å; R179-S181 VanDerWaalsContact O-N 3.1Å
182T95.6Very high96Very high14 Ų1436.3 Ų36.39%0.08620%0.201CC..Hα-helixtrans-72-41.1173.7-58.40000110.3I160 F176 R179 P180 M184 I185I160-T182 HydrophobicContact CD1-CG2 3.71Å; I160-T182 WeakPolarHBondContact CD1-O 3.27Å; F176-T182 HydrophobicContact CZ-CG2 3.86Å; R179-T182 WeakPolarHBondContact O-CB 3Å; R179-T182 PolarHBondContact O-N 2.79Å; P180-T182 VanDerWaalsContact C-N 3.28Å; P180-T182 PolarHBondContact O-N 2.93Å; T182-M184 VanDerWaalsContact C-N 3.26Å; T182-M184 PolarHBondContact O-N 3.47Å; T182-I185 WeakPolarHBondContact O-CB 3.39Å; T182-I185 PolarHBondContact O-N 3.5Å; T182-I185 VanDerWaalsContact O-N 3.09Å
183A96Very high96Very high0 Ų036.3 Ų36.30%020%0.201CC..Hα-helixtrans-59.2-36174.300000112.7F176 R179 P180 I185 G186 L187 F193 L208F176-A183 HydrophobicContact CD1-CB 4.01Å; F176-A183 HydrophobicContact CE1-CB 3.7Å; F176-A183 HydrophobicContact CZ-CB 4.44Å; R179-A183 PolarHBondContact O-N 2.95Å; P180-A183 WeakPolarHBondContact O-CB 3.44Å; P180-A183 PolarHBondContact O-N 3.46Å; P180-A183 VanDerWaalsContact O-N 3.1Å; A183-I185 PolarHBondContact O-N 3.26Å; A183-G186 PolarHBondContact O-N 3.24Å; A183-G186 VanDerWaalsContact O-N 3.11Å; A183-L187 PolarHBondContact O-N 3.32Å; A183-F193 HydrophobicContact CB-CD1 4.34Å; A183-F193 HydrophobicContact CB-CE1 3.68Å; A183-F193 HydrophobicContact CB-CE2 4.28Å; A183-F193 HydrophobicContact CB-CZ 3.66Å; A183-F193 VanDerWaalsContact O-CZ 3.25Å; A183-F193 WeakPolarHBondContact O-CZ 3.31Å; A183-L208 HydrophobicContact CB-CD1 3.54Å
184M96.6Very high96Very high67 Ų6736.3 Ų36.333%0.3320%0.201SC..Hα-helixtrans-62.2-28.2177-64.7-52.1105.200113.2P180 T182 L187 S188 A211 L212P180-M184 WeakPolarHBondContact O-CG 3.34Å; P180-M184 PolarHBondContact O-N 2.99Å; T182-M184 VanDerWaalsContact C-N 3.26Å; T182-M184 PolarHBondContact O-N 3.47Å; M184-L187 HydrophobicContact CE-CD2 4.41Å; M184-L187 WeakPolarHBondContact O-CB 3.46Å; M184-L187 HydrophobicContact SD-CD2 3.88Å; M184-S188 PolarHBondContact O-N 2.83Å; M184-S188 VanDerWaalsContact O-N 3.16Å; M184-A211 HydrophobicContact CE-CB 3.99Å; M184-L212 HydrophobicContact CE-CD2 3.87Å
185I96.5Very high96Very high72 Ų7235.9 Ų35.937%0.36920%0.199SC..Hα-helixtrans-67.2-49.4173.3-58.5171.6000109.1I160 T182 A183 L187 S188 E189I160-I185 HydrophobicContact CG2-CB 4.18Å; I160-I185 HydrophobicContact CG2-CG2 3.75Å; T182-I185 WeakPolarHBondContact O-CB 3.39Å; T182-I185 PolarHBondContact O-N 3.5Å; T182-I185 VanDerWaalsContact O-N 3.09Å; A183-I185 PolarHBondContact O-N 3.26Å; I185-L187 VanDerWaalsContact C-N 3.27Å; I185-L187 PolarHBondContact O-N 2.77Å; I185-S188 WeakPolarHBondContact O-CB 3.29Å; I185-S188 PolarHBondContact O-N 2.95Å; I185-S188 VanDerWaalsContact O-N 3.08Å; I185-S188 PolarHBondContact O-OG 3.25Å; I185-E189 PolarHBondContact O-N 2.84Å
186G97.3Very high96.1Very high0 Ų035.4 Ų35.40%020%0.195CC..Hα-helixtrans-61.2-36.5176.500000112.7A183 S188 E189 G190 Y191A183-G186 PolarHBondContact O-N 3.24Å; A183-G186 VanDerWaalsContact O-N 3.11Å; G186-S188 VanDerWaalsContact C-N 3.29Å; G186-S188 PolarHBondContact O-N 3.3Å; G186-E189 PolarHBondContact O-N 2.76Å; G186-E189 VanDerWaalsContact O-N 3.09Å; G186-G190 PolarHBondContact O-N 3.26Å; G186-Y191 VanDerWaalsContact CA-CD2 3.47Å; G186-Y191 WeakPolarHBondContact O-CB 3.16Å; G186-Y191 WeakPolarHBondContact O-CD2 3.11Å; G186-Y191 PolarHBondContact O-N 2.94Å
187L96.8Very high96.1Very high39 Ų3935.4 Ų35.420%0.20420%0.195CC..Hα-helixtrans-58.3-40.8174-166.972000112.2A183 M184 I185 E189 G190 L212 P213 R216A183-L187 PolarHBondContact O-N 3.32Å; M184-L187 HydrophobicContact CE-CD2 4.41Å; M184-L187 WeakPolarHBondContact O-CB 3.46Å; M184-L187 HydrophobicContact SD-CD2 3.88Å; I185-L187 VanDerWaalsContact C-N 3.27Å; I185-L187 PolarHBondContact O-N 2.77Å; L187-E189 PolarHBondContact O-N 2.8Å; L187-G190 PolarHBondContact O-N 3.32Å; L187-L212 HydrophobicContact CD1-CD2 4.21Å; L187-P213 HydrophobicContact CD1-CG 4.06Å; L187-P213 HydrophobicContact CD2-CG 4.11Å; L187-R216 HydrophobicContact CD1-CB 3.45Å; L187-R216 VanDerWaalsContact CD1-CB 3.45Å; L187-R216 HydrophobicContact CD1-CG 3.41Å; L187-R216 VanDerWaalsContact CD1-CG 3.41Å
188S96.7Very high96.4Very high90 Ų9033.8 Ų33.863%0.62919%0.187SC*.Hα-helixtrans-67.5-23.217876.30000113.5M184 I185 G186 G190M184-S188 PolarHBondContact O-N 2.83Å; M184-S188 VanDerWaalsContact O-N 3.16Å; I185-S188 WeakPolarHBondContact O-CB 3.29Å; I185-S188 PolarHBondContact O-N 2.95Å; I185-S188 VanDerWaalsContact O-N 3.08Å; I185-S188 PolarHBondContact O-OG 3.25Å; G186-S188 VanDerWaalsContact C-N 3.29Å; G186-S188 PolarHBondContact O-N 3.3Å; S188-G190 VanDerWaalsContact C-N 3.31Å
189E97.4Very high96.7Very high62 Ų6233 Ų3329%0.2918%0.179SC..THydrogen-bonded Turntrans-88.40.7173.4-56.5-60.4149.700112.4K164 I185 G186 L187 Y191K164-E189 HydrophobicContact CB-CG 4.47Å; K164-E189 HydrophobicContact CD-CG 4.31Å; K164-E189 WeakPolarHBondContact CD-OE1 3.44Å; K164-E189 WeakPolarHBondContact CE-OE1 3.25Å; K164-E189 HydrophobicContact CG-CG 4.36Å; K164-E189 IonicContact NZ-OE1 3.41Å; K164-E189 PolarHBondContact NZ-OE1 3.1Å; I185-E189 PolarHBondContact O-N 2.84Å; G186-E189 PolarHBondContact O-N 2.76Å; G186-E189 VanDerWaalsContact O-N 3.09Å; L187-E189 PolarHBondContact O-N 2.8Å; E189-Y191 HydrophobicContact CB-CD1 4.16Å; E189-Y191 HydrophobicContact CB-CD2 4.25Å; E189-Y191 HydrophobicContact CB-CE1 3.69Å; E189-Y191 HydrophobicContact CB-CE2 3.8Å; E189-Y191 HydrophobicContact CB-CG 4.41Å; E189-Y191 VanDerWaalsContact CB-CZ 3.5Å; E189-Y191 HydrophobicContact CG-CE2 4.31Å
190G97.3Very high96.8Very high22 Ų2226.6 Ų26.623%0.22716%0.16CC..THydrogen-bonded Turntrans87.413.117800000115.1G186 L187 S188G186-G190 PolarHBondContact O-N 3.26Å; L187-G190 PolarHBondContact O-N 3.32Å; S188-G190 VanDerWaalsContact C-N 3.31Å
191Y98.5Very high96.9Very high1 Ų129.2 Ų29.20%0.00417%0.165CC..  trans-73.4149.4-177-54.2-21.1000112.6L163 K164 I168 A171 I173 G186 E189L163-Y191 HydrophobicContact CB-CE2 3.75Å; L163-Y191 WeakPolarHBondContact CB-OH 3.34Å; L163-Y191 HydrophobicContact CD1-CD2 4.34Å; L163-Y191 HydrophobicContact CD1-CE2 4.01Å; L163-Y191 PolarHBondContact O-OH 3.38Å; K164-Y191 PolarHBondContact N-OH 3.41Å; I168-Y191 WeakPolarHBondContact O-CE1 3.48Å; I168-Y191 PolarHBondContact O-OH 3.47Å; A171-Y191 HydrophobicContact CB-CD1 3.67Å; A171-Y191 HydrophobicContact CB-CE1 4.07Å; A171-Y191 HydrophobicContact CB-CG 3.96Å; I173-Y191 HydrophobicContact CD1-CD2 3.87Å; I173-Y191 HydrophobicContact CD1-CG 4.49Å; G186-Y191 VanDerWaalsContact CA-CD2 3.47Å; G186-Y191 WeakPolarHBondContact O-CB 3.16Å; G186-Y191 WeakPolarHBondContact O-CD2 3.11Å; G186-Y191 PolarHBondContact O-N 2.94Å; E189-Y191 HydrophobicContact CB-CD1 4.16Å; E189-Y191 HydrophobicContact CB-CD2 4.25Å; E189-Y191 HydrophobicContact CB-CE1 3.69Å; E189-Y191 HydrophobicContact CB-CE2 3.8Å; E189-Y191 HydrophobicContact CB-CG 4.41Å; E189-Y191 VanDerWaalsContact CB-CZ 3.5Å; E189-Y191 HydrophobicContact CG-CE2 4.31Å
192Y98.8Very high96.8Very high20 Ų2026.9 Ų26.98%0.07815%0.149CC..EExtended strand (participates in β ladder)trans-96149.4171.5-71.1-95.9000110A171 Q172 I173 D215 R216 L218 N265 L269A171-Y192 PolarHBondContact O-N 2.94Å; Q172-Y192 CarbonylContact C-O 3.53Å; Q172-Y192 WeakPolarHBondContact CA-O 3.39Å; I173-Y192 PolarHBondContact N-O 3.19Å; Y192-D215 VanDerWaalsContact CE1-O 3.27Å; Y192-D215 WeakPolarHBondContact CE1-O 3.5Å; Y192-R216 WeakPolarHBondContact CA-O 3.23Å; Y192-R216 PolarHBondContact OH-NH1 3.29Å; Y192-L218 HydrophobicContact CD1-CD1 4.31Å; Y192-L218 HydrophobicContact CD1-CD2 4.23Å; Y192-L218 HydrophobicContact CD1-CG 4Å; Y192-L218 HydrophobicContact CG-CD1 4.12Å; Y192-L218 HydrophobicContact CG-CG 4.29Å; Y192-N265 HydrophobicContact CD1-CB 4.01Å; Y192-N265 HydrophobicContact CE1-CB 3.55Å; Y192-L269 HydrophobicContact CD2-CB 4.12Å; Y192-L269 HydrophobicContact CD2-CD1 4.08Å; Y192-L269 HydrophobicContact CD2-CD2 4.02Å; Y192-L269 HydrophobicContact CD2-CG 4.31Å; Y192-L269 HydrophobicContact CE2-CB 4.11Å; Y192-L269 HydrophobicContact CE2-CD1 4.39Å; Y192-L269 HydrophobicContact CG-CD2 4.26Å
193F98.7Very high96.8Very high0 Ų034.2 Ų34.20%018%0.179CC..EExtended strand (participates in β ladder)trans-121.4121.8174.3-65.6-95000108.6I173 F176 A183 L212 R216 I217 L218I173-F193 HydrophobicContact CB-CD1 3.95Å; I173-F193 HydrophobicContact CB-CE1 3.98Å; I173-F193 HydrophobicContact CD1-CD1 4.5Å; I173-F193 HydrophobicContact CD1-CE1 3.71Å; I173-F193 HydrophobicContact CD1-CZ 3.86Å; I173-F193 HydrophobicContact CG1-CE1 4.39Å; I173-F193 HydrophobicContact CG2-CD1 4.31Å; I173-F193 HydrophobicContact CG2-CE1 4.22Å; F176-F193 HydrophobicContact CB-CD1 3.85Å; F176-F193 HydrophobicContact CB-CE1 4.3Å; F176-F193 HydrophobicContact CD1-CD1 4.35Å; F176-F193 HydrophobicContact CD1-CE1 4.18Å; F176-F193 HydrophobicContact CD2-CE1 4.25Å; F176-F193 HydrophobicContact CG-CD1 4.04Å; F176-F193 AromaticContact CG-CE1 3.99Å; F176-F193 HydrophobicContact CG-CE1 3.99Å; A183-F193 HydrophobicContact CB-CD1 4.34Å; A183-F193 HydrophobicContact CB-CE1 3.68Å; A183-F193 HydrophobicContact CB-CE2 4.28Å; A183-F193 HydrophobicContact CB-CZ 3.66Å; A183-F193 VanDerWaalsContact O-CZ 3.25Å; A183-F193 WeakPolarHBondContact O-CZ 3.31Å; F193-L212 HydrophobicContact CB-CD1 3.62Å; F193-L212 HydrophobicContact CD2-CD1 4.24Å; F193-L212 HydrophobicContact CD2-CD2 3.7Å; F193-L212 HydrophobicContact CE2-CD2 4.14Å; F193-L212 HydrophobicContact CG-CD1 4.03Å; F193-L212 HydrophobicContact CG-CD2 4.25Å; F193-R216 PolarHBondContact N-O 2.84Å; F193-I217 WeakPolarHBondContact O-CA 3.2Å; F193-L218 PolarHBondContact O-N 3.03Å
194S98.7Very high96.7Very high0 Ų037 Ų370%019%0.192CC..EExtended strand (participates in β ladder)trans-88.9143.4173.642.70000111.1Q172 I173 H174 A175 L218 E220Q172-S194 WeakPolarHBondContact CG-OG 3.05Å; Q172-S194 PolarHBondContact NE2-OG 3.37Å; I173-S194 PolarHBondContact O-N 3.05Å; H174-S194 VanDerWaalsContact CA-OG 3.28Å; H174-S194 WeakPolarHBondContact CA-OG 3.34Å; A175-S194 PolarHBondContact N-O 3.03Å; S194-L218 WeakPolarHBondContact CA-O 3.45Å; S194-E220 VanDerWaalsContact CB-CD 3.47Å; S194-E220 WeakPolarHBondContact CB-OE2 3.07Å; S194-E220 PolarHBondContact OG-OE2 3.34Å
195I98.6Very high96.7Very high1 Ų134.7 Ų34.71%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-111.4121-175-54.4-61.3000108L199 L208 V209 L212 I217 L218 E220 V243 I247I195-L199 HydrophobicContact CG2-CB 4Å; I195-L199 HydrophobicContact CG2-CD1 3.99Å; I195-L199 HydrophobicContact CG2-CD2 3.79Å; I195-L199 HydrophobicContact CG2-CG 4.14Å; I195-L208 HydrophobicContact CD1-CD2 4.21Å; I195-V209 HydrophobicContact CB-CG2 4.45Å; I195-V209 HydrophobicContact CD1-CG2 3.72Å; I195-V209 HydrophobicContact CG1-CG2 3.86Å; I195-V209 HydrophobicContact CG2-CG2 3.76Å; I195-L212 HydrophobicContact CD1-CD1 4.38Å; I195-I217 HydrophobicContact CG1-CG2 3.78Å; I195-L218 PolarHBondContact N-O 3.13Å; I195-E220 PolarHBondContact O-N 3.43Å; I195-E220 VanDerWaalsContact O-N 3.15Å; I195-V243 HydrophobicContact CB-CG1 4.29Å; I195-V243 HydrophobicContact CG2-CG1 4.18Å; I195-V243 VanDerWaalsContact O-CG1 3.28Å; I195-V243 WeakPolarHBondContact O-CG1 3.25Å; I195-I247 HydrophobicContact CB-CD1 4.17Å; I195-I247 HydrophobicContact CG1-CD1 4.39Å; I195-I247 HydrophobicContact CG2-CD1 4.38Å; I195-I247 HydrophobicContact CG2-CG1 4.46Å
196P97.8Very high96.7Very high1 Ų133.7 Ų33.71%0.00617%0.174CC..  trans-89.1168.9-17332.4-35000113.3A175 S198 L199 K205 E220 D222 L226A175-P196 HydrophobicContact CB-CG 4.03Å; P196-S198 PolarHBondContact O-N 3.19Å; P196-L199 WeakPolarHBondContact O-CB 3.35Å; P196-L199 PolarHBondContact O-N 3.29Å; P196-K205 HydrophobicContact CG-CD 3.7Å; P196-E220 WeakPolarHBondContact CA-O 3.42Å; P196-E220 HydrophobicContact CB-CG 3.85Å; P196-D222 HydrophobicContact CB-CB 4.44Å; P196-L226 HydrophobicContact CB-CB 4.46Å; P196-L226 HydrophobicContact CB-CD1 3.69Å; P196-L226 HydrophobicContact CG-CD1 3.83Å
197S97.4Very high96.7Very high2 Ų238.1 Ų38.11%0.01420%0.195CC..THydrogen-bonded Turntrans-50.8-23174.5-640000114.6L199 P200 E220 T221 L226 S228 T235 E239S197-L199 PolarHBondContact O-N 3.26Å; S197-P200 WeakPolarHBondContact O-CD 3.41Å; S197-E220 PolarHBondContact N-O 3.11Å; S197-T221 WeakPolarHBondContact OG-CA 3.26Å; S197-L226 CarbonylContact C-O 3.56Å; S197-L226 VanDerWaalsContact C-O 3.26Å; S197-L226 WeakPolarHBondContact CB-O 3.26Å; S197-S228 WeakPolarHBondContact O-CA 3.35Å; S197-S228 VanDerWaalsContact O-CB 3.25Å; S197-S228 WeakPolarHBondContact O-CB 3.49Å; S197-T235 WeakPolarHBondContact OG-CG2 3.4Å; S197-E239 WeakPolarHBondContact OG-CB 3.31Å
198S95.9Very high96.7Very high7 Ų736.3 Ų36.35%0.04919%0.185CC..THydrogen-bonded Turntrans-75.1-4.9178.560.40000114.7P196 P200 R201 S202 L226P196-S198 PolarHBondContact O-N 3.19Å; S198-P200 VanDerWaalsContact C-N 3.31Å; S198-P200 VanDerWaalsContact O-N 3.15Å; S198-R201 PolarHBondContact O-N 3.37Å; S198-S202 PolarHBondContact O-N 3.03Å; S198-S202 VanDerWaalsContact O-N 3.12Å; S198-L226 VanDerWaalsContact CA-O 3.29Å; S198-L226 WeakPolarHBondContact CA-O 3.41Å; S198-L226 WeakPolarHBondContact CB-O 3.39Å; S198-L226 PolarHBondContact N-O 3.26Å
199L96.7Very high96.8Very high1 Ų132 Ų321%0.00516%0.155CC..THydrogen-bonded Turntrans-42.8-45.7178.7175.163.9000114.5I195 P196 S197 R201 S202 K205 Q206 V209 H246 I247 I250I195-L199 HydrophobicContact CG2-CB 4Å; I195-L199 HydrophobicContact CG2-CD1 3.99Å; I195-L199 HydrophobicContact CG2-CD2 3.79Å; I195-L199 HydrophobicContact CG2-CG 4.14Å; P196-L199 WeakPolarHBondContact O-CB 3.35Å; P196-L199 PolarHBondContact O-N 3.29Å; S197-L199 PolarHBondContact O-N 3.26Å; L199-R201 PolarHBondContact O-N 3.09Å; L199-S202 PolarHBondContact O-N 3.03Å; L199-K205 HydrophobicContact CD1-CB 3.96Å; L199-Q206 HydrophobicContact CD1-CG 3.93Å; L199-Q206 WeakPolarHBondContact O-CG 3.22Å; L199-Q206 PolarHBondContact O-NE2 2.93Å; L199-Q206 VanDerWaalsContact O-NE2 3.1Å; L199-V209 HydrophobicContact CD1-CB 4.5Å; L199-V209 HydrophobicContact CD1-CG2 3.7Å; L199-V209 HydrophobicContact CD2-CG2 4.28Å; L199-H246 HydrophobicContact CD2-CB 3.59Å; L199-H246 HydrophobicContact CG-CB 4.28Å; L199-I247 HydrophobicContact CD2-CG1 3.85Å; L199-I250 HydrophobicContact CD1-CD1 3.88Å; L199-I250 HydrophobicContact CD2-CD1 4.04Å; L199-I250 HydrophobicContact CG-CD1 4.12Å
200P94.9Very high96.8Very high44 Ų4434.3 Ų34.329%0.28617%0.165SC..THydrogen-bonded Turntrans-64.2-27.7-177.4-19.633.4000113S197 S198 Q206 H246S197-P200 WeakPolarHBondContact O-CD 3.41Å; S198-P200 VanDerWaalsContact C-N 3.31Å; S198-P200 VanDerWaalsContact O-N 3.15Å; P200-Q206 PolarHBondContact O-NE2 3.29Å; P200-H246 VanDerWaalsContact CG-CE1 3.5Å; P200-H246 WeakPolarHBondContact CG-CE1 3.42Å; P200-H246 VanDerWaalsContact CG-NE2 3.34Å; P200-H246 WeakPolarHBondContact CG-NE2 3.35Å
201R93.2Very high96.8Very high96 Ų9635.5 Ų35.536%0.36217%0.172SC..THydrogen-bonded Turntrans-94.8-18-178.2-61.8-175.2-62.894.40113.4S198 L199 N227 S228S198-R201 PolarHBondContact O-N 3.37Å; L199-R201 PolarHBondContact O-N 3.09Å; R201-N227 PolarHBondContact NE-O 2.96Å; R201-N227 PolarHBondContact NH2-O 3.06Å; R201-S228 WeakPolarHBondContact CD-O 3.39Å; R201-S228 VanDerWaalsContact CG-O 3.26Å; R201-S228 WeakPolarHBondContact CG-O 3.19Å; R201-S228 PolarHBondContact NE-O 3.14Å
202S93.7Very high96.8Very high25 Ų2535.5 Ų35.518%0.17517%0.172CC..  trans-103.9103.8-175176.70000111.8S198 L199 Q204 K205 Q206S198-S202 PolarHBondContact O-N 3.03Å; S198-S202 VanDerWaalsContact O-N 3.12Å; L199-S202 PolarHBondContact O-N 3.03Å; S202-Q204 PolarHBondContact O-N 3.37Å; S202-K205 PolarHBondContact O-N 3.37Å; S202-K205 VanDerWaalsContact O-N 3.15Å; S202-K205 WeakPolarHBondContact OG-CG 3.5Å; S202-K205 PolarHBondContact OG-N 3.16Å; S202-K205 VanDerWaalsContact OG-N 3.09Å; S202-Q206 WeakPolarHBondContact O-CG 3.28Å; S202-Q206 PolarHBondContact O-N 3.08Å
203K94.7Very high96.7Very high169 Ų16936.9 Ų36.974%0.73518%0.184SC*.Hα-helixtrans-54.9-40170.8-69.2-173.6179.3-178.20111.7K205 Q206 E207K203-K205 PolarHBondContact O-N 3.38Å; K203-Q206 WeakPolarHBondContact O-CB 3.38Å; K203-Q206 PolarHBondContact O-N 3.17Å; K203-E207 WeakPolarHBondContact O-CG 3.46Å; K203-E207 PolarHBondContact O-N 3.29Å
204Q94.9Very high96.7Very high58 Ų5838 Ų3827%0.27119%0.19SC..Hα-helixtrans-61.6-42.4178.7174.7-93.2-26.100111.7F176 D177 G178 S202 E207 L208F176-Q204 PolarHBondContact O-NE2 3.33Å; D177-Q204 VanDerWaalsContact CA-NE2 3.26Å; D177-Q204 PolarHBondContact O-NE2 3.42Å; D177-Q204 VanDerWaalsContact O-NE2 3.15Å; G178-Q204 PolarHBondContact O-NE2 3.03Å; S202-Q204 PolarHBondContact O-N 3.37Å; Q204-E207 PolarHBondContact O-N 3.34Å; Q204-L208 PolarHBondContact O-N 2.59Å
205K96.2Very high96.7Very high18 Ų1841 Ų418%0.07821%0.206CC..Hα-helixtrans-70.2-35.5174.7-70.2171.5162.156.60112.3A175 P196 L199 S202 K203 L208 V209A175-K205 WeakPolarHBondContact O-CE 3.39Å; A175-K205 PolarHBondContact O-NZ 3.13Å; P196-K205 HydrophobicContact CG-CD 3.7Å; L199-K205 HydrophobicContact CD1-CB 3.96Å; S202-K205 PolarHBondContact O-N 3.37Å; S202-K205 VanDerWaalsContact O-N 3.15Å; S202-K205 WeakPolarHBondContact OG-CG 3.5Å; S202-K205 PolarHBondContact OG-N 3.16Å; S202-K205 VanDerWaalsContact OG-N 3.09Å; K203-K205 PolarHBondContact O-N 3.38Å; K205-L208 WeakPolarHBondContact O-CB 3.21Å; K205-L208 PolarHBondContact O-N 3.37Å; K205-V209 WeakPolarHBondContact O-CG2 3.38Å; K205-V209 PolarHBondContact O-N 2.84Å
206Q97.1Very high96.7Very high52 Ų5244.2 Ų44.224%0.24322%0.218CC..Hα-helixtrans-62-44.1173.9-67.6169.524.400111.9L199 P200 S202 K203 L208 V209 K210 I250L199-Q206 HydrophobicContact CD1-CG 3.93Å; L199-Q206 WeakPolarHBondContact O-CG 3.22Å; L199-Q206 PolarHBondContact O-NE2 2.93Å; L199-Q206 VanDerWaalsContact O-NE2 3.1Å; P200-Q206 PolarHBondContact O-NE2 3.29Å; S202-Q206 WeakPolarHBondContact O-CG 3.28Å; S202-Q206 PolarHBondContact O-N 3.08Å; K203-Q206 WeakPolarHBondContact O-CB 3.38Å; K203-Q206 PolarHBondContact O-N 3.17Å; Q206-L208 VanDerWaalsContact C-N 3.33Å; Q206-L208 PolarHBondContact O-N 3.22Å; Q206-V209 PolarHBondContact O-N 3.12Å; Q206-K210 WeakPolarHBondContact O-CG 3.37Å; Q206-K210 PolarHBondContact O-N 2.71Å; Q206-K210 VanDerWaalsContact O-N 3.08Å; Q206-I250 HydrophobicContact CB-CD1 4.19Å; Q206-I250 HydrophobicContact CG-CD1 3.9Å
207E96.9Very high96.7Very high92 Ų9244.2 Ų44.243%0.4322%0.217SC..Hα-helixtrans-64.8-37.1174.8-66.2-49.9125.600112.1K203 Q204 K210 A211K203-E207 WeakPolarHBondContact O-CG 3.46Å; K203-E207 PolarHBondContact O-N 3.29Å; Q204-E207 PolarHBondContact O-N 3.34Å; E207-K210 PolarHBondContact O-N 2.96Å; E207-K210 IonicContact OE1-NZ 3.4Å; E207-K210 PolarHBondContact OE1-NZ 3.29Å; E207-K210 IonicContact OE2-NZ 3.69Å; E207-A211 PolarHBondContact O-N 3.2Å; E207-A211 VanDerWaalsContact O-N 3.11Å
208L97.4Very high96.8Very high1 Ų144.1 Ų44.11%0.00522%0.217CC..Hα-helixtrans-61.5-46.7173.3-176.665.2000111.7F176 A183 I195 Q204 K205 Q206 K210 A211 L212F176-L208 HydrophobicContact CB-CD2 4.02Å; F176-L208 HydrophobicContact CD1-CD1 4.27Å; F176-L208 HydrophobicContact CD1-CD2 4.03Å; A183-L208 HydrophobicContact CB-CD1 3.54Å; I195-L208 HydrophobicContact CD1-CD2 4.21Å; Q204-L208 PolarHBondContact O-N 2.59Å; K205-L208 WeakPolarHBondContact O-CB 3.21Å; K205-L208 PolarHBondContact O-N 3.37Å; Q206-L208 VanDerWaalsContact C-N 3.33Å; Q206-L208 PolarHBondContact O-N 3.22Å; L208-K210 VanDerWaalsContact C-N 3.29Å; L208-K210 PolarHBondContact O-N 2.97Å; L208-A211 PolarHBondContact O-N 2.85Å; L208-A211 VanDerWaalsContact O-N 3.12Å; L208-L212 HydrophobicContact CD1-CD1 3.88Å; L208-L212 HydrophobicContact CD1-CD2 4.41Å; L208-L212 HydrophobicContact CD1-CG 3.96Å; L208-L212 HydrophobicContact CD2-CD1 4.25Å; L208-L212 HydrophobicContact CG-CD1 3.67Å; L208-L212 HydrophobicContact CG-CG 4.18Å; L208-L212 WeakPolarHBondContact O-CG 3.42Å; L208-L212 PolarHBondContact O-N 2.72Å
209V98.1Very high96.9Very high0 Ų043.9 Ų43.90%022%0.215CC..Hα-helixtrans-60.6-37.5177.4171.40000112.1I195 L199 K205 Q206 I247 I250 K251I195-V209 HydrophobicContact CB-CG2 4.45Å; I195-V209 HydrophobicContact CD1-CG2 3.72Å; I195-V209 HydrophobicContact CG1-CG2 3.86Å; I195-V209 HydrophobicContact CG2-CG2 3.76Å; L199-V209 HydrophobicContact CD1-CB 4.5Å; L199-V209 HydrophobicContact CD1-CG2 3.7Å; L199-V209 HydrophobicContact CD2-CG2 4.28Å; K205-V209 WeakPolarHBondContact O-CG2 3.38Å; K205-V209 PolarHBondContact O-N 2.84Å; Q206-V209 PolarHBondContact O-N 3.12Å; V209-I247 HydrophobicContact CG1-CB 4.46Å; V209-I247 HydrophobicContact CG1-CG1 4.24Å; V209-I247 HydrophobicContact CG1-CG2 4.18Å; V209-I247 HydrophobicContact CG2-CG1 4.4Å; V209-I250 HydrophobicContact CB-CD1 4.38Å; V209-I250 HydrophobicContact CB-CG2 4.26Å; V209-I250 HydrophobicContact CG1-CB 4.08Å; V209-I250 HydrophobicContact CG1-CD1 4.23Å; V209-I250 HydrophobicContact CG1-CG2 3.77Å; V209-K251 HydrophobicContact CG1-CD 4.24Å; V209-K251 HydrophobicContact CG1-CG 4.02Å; V209-K251 PolarHBondContact O-NZ 3.1Å
210K97.7Very high97Very high111 Ų11143.8 Ų43.848%0.48322%0.215SC..Hα-helixtrans-62.4-44.6174.5-69.8173-171.2169.60111.3Q206 E207 L208 I250Q206-K210 WeakPolarHBondContact O-CG 3.37Å; Q206-K210 PolarHBondContact O-N 2.71Å; Q206-K210 VanDerWaalsContact O-N 3.08Å; E207-K210 PolarHBondContact O-N 2.96Å; E207-K210 IonicContact OE1-NZ 3.4Å; E207-K210 PolarHBondContact OE1-NZ 3.29Å; E207-K210 IonicContact OE2-NZ 3.69Å; L208-K210 VanDerWaalsContact C-N 3.29Å; L208-K210 PolarHBondContact O-N 2.97Å; K210-I250 HydrophobicContact CG-CG2 3.49Å; K210-I250 VanDerWaalsContact CG-CG2 3.49Å
211A97Very high97.2Very high46 Ų4641.7 Ų41.738%0.3820%0.201SC..Hα-helixtrans-74.2-33.9-175.500000114.1P180 M184 E207 L208P180-A211 HydrophobicContact CB-CB 4.1Å; M184-A211 HydrophobicContact CE-CB 3.99Å; E207-A211 PolarHBondContact O-N 3.2Å; E207-A211 VanDerWaalsContact O-N 3.11Å; L208-A211 PolarHBondContact O-N 2.85Å; L208-A211 VanDerWaalsContact O-N 3.12Å
212L98.1Very high97.4Very high2 Ų237.8 Ų37.81%0.0119%0.187CC..SBendtrans-76.4140.6-176.7-69.8171.7000112.4M184 L187 F193 I195 L208 I217 K251M184-L212 HydrophobicContact CE-CD2 3.87Å; L187-L212 HydrophobicContact CD1-CD2 4.21Å; F193-L212 HydrophobicContact CB-CD1 3.62Å; F193-L212 HydrophobicContact CD2-CD1 4.24Å; F193-L212 HydrophobicContact CD2-CD2 3.7Å; F193-L212 HydrophobicContact CE2-CD2 4.14Å; F193-L212 HydrophobicContact CG-CD1 4.03Å; F193-L212 HydrophobicContact CG-CD2 4.25Å; I195-L212 HydrophobicContact CD1-CD1 4.38Å; L208-L212 HydrophobicContact CD1-CD1 3.88Å; L208-L212 HydrophobicContact CD1-CD2 4.41Å; L208-L212 HydrophobicContact CD1-CG 3.96Å; L208-L212 HydrophobicContact CD2-CD1 4.25Å; L208-L212 HydrophobicContact CG-CD1 3.67Å; L208-L212 HydrophobicContact CG-CG 4.18Å; L208-L212 WeakPolarHBondContact O-CG 3.42Å; L208-L212 PolarHBondContact O-N 2.72Å; L212-I217 HydrophobicContact CB-CD1 3.95Å; L212-I217 HydrophobicContact CB-CG1 3.83Å; L212-I217 HydrophobicContact CD1-CG1 4.11Å; L212-K251 PolarHBondContact O-NZ 3.26Å
213P98Very high97.5Very high49 Ų4936.6 Ų36.632%0.31818%0.179SC..  trans-72.8147.5166.834-35000110.1L187 D215 R216L187-P213 HydrophobicContact CD1-CG 4.06Å; L187-P213 HydrophobicContact CD2-CG 4.11Å; P213-D215 VanDerWaalsContact C-N 3.26Å; P213-D215 WeakPolarHBondContact CB-OD1 3.48Å; P213-D215 PolarHBondContact O-N 2.95Å; P213-R216 HydrophobicContact CG-CB 4.01Å; P213-R216 HydrophobicContact CG-CG 3.93Å; P213-R216 PolarHBondContact O-N 2.8Å; P213-R216 VanDerWaalsContact O-N 3.11Å
214L98.4Very high97.6Very high24 Ų2429.6 Ų29.613%0.12615%0.151CC..G310 helixtrans-64.5-28.7-172.2-175.664.3000113.2R216 I217 I247 K251 I253 T257 V258 M261 T262 N265L214-R216 PolarHBondContact O-N 2.68Å; L214-I217 HydrophobicContact CD1-CD1 4.46Å; L214-I217 PolarHBondContact O-N 3.1Å; L214-I247 HydrophobicContact CD1-CG2 4.27Å; L214-K251 HydrophobicContact CD1-CD 4.41Å; L214-I253 HydrophobicContact CD1-CD1 4.48Å; L214-I253 HydrophobicContact CD2-CD1 3.51Å; L214-T257 HydrophobicContact CD2-CG2 3.96Å; L214-V258 HydrophobicContact CD1-CG2 4.38Å; L214-M261 HydrophobicContact CD2-CB 3.75Å; L214-M261 HydrophobicContact CD2-CG 3.74Å; L214-M261 HydrophobicContact CG-CB 3.8Å; L214-M261 HydrophobicContact CG-CG 4.23Å; L214-T262 HydrophobicContact CD1-CG2 4.43Å; L214-N265 PolarHBondContact O-ND2 3.23Å
215D98.1Very high97.6Very high63 Ų6330.4 Ų30.434%0.33716%0.16SC..G310 helixtrans-75.15.1177.371.7-30.3000114.1Y192 P213 M261 N265Y192-D215 VanDerWaalsContact CE1-O 3.27Å; Y192-D215 WeakPolarHBondContact CE1-O 3.5Å; P213-D215 VanDerWaalsContact C-N 3.26Å; P213-D215 WeakPolarHBondContact CB-OD1 3.48Å; P213-D215 PolarHBondContact O-N 2.95Å; D215-M261 HydrophobicContact CB-CE 3.78Å; D215-N265 VanDerWaalsContact C-ND2 3.28Å; D215-N265 WeakPolarHBondContact CA-ND2 3.34Å; D215-N265 PolarHBondContact O-OD1 2.92Å
216R98.2Very high97.2Very high68 Ų6831.5 Ų31.526%0.25717%0.166SC..G310 helixtrans-126.16.4175.2-65.2-78.1-177.7-98.53.1112.8L187 Y192 F193 P213 L214L187-R216 HydrophobicContact CD1-CB 3.45Å; L187-R216 VanDerWaalsContact CD1-CB 3.45Å; L187-R216 HydrophobicContact CD1-CG 3.41Å; L187-R216 VanDerWaalsContact CD1-CG 3.41Å; Y192-R216 WeakPolarHBondContact CA-O 3.23Å; Y192-R216 PolarHBondContact OH-NH1 3.29Å; F193-R216 PolarHBondContact N-O 2.84Å; P213-R216 HydrophobicContact CG-CB 4.01Å; P213-R216 HydrophobicContact CG-CG 3.93Å; P213-R216 PolarHBondContact O-N 2.8Å; P213-R216 VanDerWaalsContact O-N 3.11Å; L214-R216 PolarHBondContact O-N 2.68Å
217I98.8Very high96.9Very high0 Ų029.4 Ų29.40%016%0.156CC..EExtended strand (participates in β ladder)trans-97.6134.8175.4-66.8175.4000109.6F193 I195 L212 L214 I247 K251 T262 N265F193-I217 WeakPolarHBondContact O-CA 3.2Å; I195-I217 HydrophobicContact CG1-CG2 3.78Å; L212-I217 HydrophobicContact CB-CD1 3.95Å; L212-I217 HydrophobicContact CB-CG1 3.83Å; L212-I217 HydrophobicContact CD1-CG1 4.11Å; L214-I217 HydrophobicContact CD1-CD1 4.46Å; L214-I217 PolarHBondContact O-N 3.1Å; I217-I247 HydrophobicContact CG2-CD1 3.98Å; I217-K251 HydrophobicContact CD1-CD 4.25Å; I217-T262 HydrophobicContact CG2-CG2 4.11Å; I217-N265 PolarHBondContact O-ND2 3.09Å
218L98.8Very high96.3Very high0 Ų025.8 Ų25.80%014%0.141CC..EExtended strand (participates in β ladder)trans-113.5165.3164.4-65.1171.9000109.2T13 Q172 Y192 F193 S194 I195 N265 A266 L269T13-L218 HydrophobicContact CG2-CB 4.27Å; T13-L218 HydrophobicContact CG2-CD1 4.49Å; T13-L218 HydrophobicContact CG2-CD2 4.23Å; Q172-L218 HydrophobicContact CB-CD1 4.05Å; Q172-L218 HydrophobicContact CG-CD1 3.87Å; Y192-L218 HydrophobicContact CD1-CD1 4.31Å; Y192-L218 HydrophobicContact CD1-CD2 4.23Å; Y192-L218 HydrophobicContact CD1-CG 4Å; Y192-L218 HydrophobicContact CG-CD1 4.12Å; Y192-L218 HydrophobicContact CG-CG 4.29Å; F193-L218 PolarHBondContact O-N 3.03Å; S194-L218 WeakPolarHBondContact CA-O 3.45Å; I195-L218 PolarHBondContact N-O 3.13Å; L218-N265 HydrophobicContact CD2-CB 3.55Å; L218-A266 HydrophobicContact CD2-CB 4.02Å; L218-A266 VanDerWaalsContact CD2-N 3.31Å; L218-L269 HydrophobicContact CD1-CD2 3.83Å
219V98.6Very high95.5Very high2 Ų230.3 Ų30.31%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-115.4134.3178167.90000108.5V10 T13 A240 V243 I247 T262V10-V219 HydrophobicContact CG1-CG1 4.1Å; T13-V219 PolarHBondContact N-O 3.42Å; T13-V219 PolarHBondContact OG1-O 2.81Å; V219-A240 HydrophobicContact CG1-CB 3.76Å; V219-A240 WeakPolarHBondContact CG1-O 3.35Å; V219-V243 HydrophobicContact CB-CG1 4.49Å; V219-V243 HydrophobicContact CG1-CB 3.86Å; V219-V243 HydrophobicContact CG1-CG1 3.9Å; V219-V243 HydrophobicContact CG2-CG1 4.13Å; V219-I247 HydrophobicContact CG2-CD1 3.88Å; V219-T262 HydrophobicContact CG2-CG2 3.78Å
220E98.7Very high94.7Very high0 Ų032.1 Ų32.10%019%0.186CC..  trans-138.3162.1174.570.5-169.3178.600111.1D12 H14 H174 A175 S194 I195 P196 S197D12-E220 VanDerWaalsContact OD1-CA 3.25Å; D12-E220 WeakPolarHBondContact OD1-CA 3.35Å; H14-E220 HydrophobicContact CB-CB 3.57Å; H14-E220 HydrophobicContact CB-CG 4.22Å; H14-E220 WeakPolarHBondContact CB-OE2 3.48Å; H14-E220 IonicContact CG-OE2 2.71Å; H174-E220 WeakPolarHBondContact CB-OE2 3.31Å; H174-E220 IonicContact CG-OE2 3.99Å; H174-E220 IonicContact ND1-OE1 2.87Å; H174-E220 IonicContact ND1-OE2 2.73Å; A175-E220 WeakPolarHBondContact CA-OE1 3.42Å; A175-E220 WeakPolarHBondContact CB-OE1 3.36Å; A175-E220 PolarHBondContact N-OE1 3.3Å; S194-E220 VanDerWaalsContact CB-CD 3.47Å; S194-E220 WeakPolarHBondContact CB-OE2 3.07Å; S194-E220 PolarHBondContact OG-OE2 3.34Å; I195-E220 PolarHBondContact O-N 3.43Å; I195-E220 VanDerWaalsContact O-N 3.15Å; P196-E220 WeakPolarHBondContact CA-O 3.42Å; P196-E220 HydrophobicContact CB-CG 3.85Å; S197-E220 PolarHBondContact N-O 3.11Å
221T98.3Very high93.8Very high0 Ų033.2 Ų33.20%020%0.196CC..  trans-101.8-28.3169.365.40000113.3D12 S197 A223 E236 E239 A240D12-T221 PolarHBondContact OD1-N 2.89Å; D12-T221 WeakPolarHBondContact OD2-CB 3.29Å; D12-T221 WeakPolarHBondContact OD2-CG2 3.36Å; D12-T221 PolarHBondContact OD2-OG1 2.84Å; S197-T221 WeakPolarHBondContact OG-CA 3.26Å; T221-A223 PolarHBondContact O-N 3.24Å; T221-A223 VanDerWaalsContact OG1-CB 3.27Å; T221-A223 WeakPolarHBondContact OG1-CB 3.2Å; T221-A223 PolarHBondContact OG1-N 3.33Å; T221-A223 VanDerWaalsContact OG1-N 3.13Å; T221-E236 WeakPolarHBondContact CG2-O 3.4Å; T221-E239 HydrophobicContact CG2-CB 4.3Å; T221-A240 HydrophobicContact CG2-CB 3.81Å; T221-A240 VanDerWaalsContact CG2-N 3.32Å
222D97.3Very high93Very high13 Ų1339.9 Ų39.97%0.0722%0.219CC..  trans56.528.5-166.3-155.830000111.7H14 H16 H174 P196 V225 L226H14-D222 IonicContact CD2-OD1 3.23Å; H14-D222 PolarHBondContact CD2-OD1 2.79Å; H14-D222 VanDerWaalsContact CD2-OD1 3.32Å; H14-D222 IonicContact NE2-OD1 3.54Å; H14-D222 WeakPolarHBondContact O-CA 3.34Å; H14-D222 PolarHBondContact O-N 3.22Å; H16-D222 IonicContact CD2-OD1 2.74Å; H16-D222 IonicContact NE2-OD1 2.85Å; H174-D222 IonicContact CE1-OD1 3.35Å; H174-D222 IonicContact CE1-OD2 2.82Å; H174-D222 IonicContact ND1-OD1 3.57Å; P196-D222 HydrophobicContact CB-CB 4.44Å; D222-V225 HydrophobicContact CB-CG2 4.29Å; D222-V225 WeakPolarHBondContact O-CG2 3.41Å; D222-V225 PolarHBondContact O-N 3.5Å; D222-V225 VanDerWaalsContact OD2-CG2 3.31Å; D222-V225 WeakPolarHBondContact OD2-CG2 3.19Å; D222-L226 HydrophobicContact CB-CB 4.31Å; D222-L226 HydrophobicContact CB-CD1 3.86Å; D222-L226 HydrophobicContact CB-CG 4.2Å; D222-L226 WeakPolarHBondContact OD2-CD1 3.37Å; D222-L226 WeakPolarHBondContact OD2-CG 3.2Å
223A97.5Very high92.4Very high0 Ų042.3 Ų42.30%024%0.237CC..BIsolated β-bridgetrans-56.3131.6-178.300000110.7C15 H16 F22 T221 T235C15-A223 HydrophobicContact CB-CB 4.15Å; H16-A223 WeakPolarHBondContact CA-O 3.3Å; H16-A223 WeakPolarHBondContact CB-O 3.45Å; H16-A223 PolarHBondContact N-O 2.92Å; F22-A223 HydrophobicContact CZ-CB 4.19Å; T221-A223 PolarHBondContact O-N 3.24Å; T221-A223 VanDerWaalsContact OG1-CB 3.27Å; T221-A223 WeakPolarHBondContact OG1-CB 3.2Å; T221-A223 PolarHBondContact OG1-N 3.33Å; T221-A223 VanDerWaalsContact OG1-N 3.13Å; A223-T235 HydrophobicContact CB-CG2 4.49Å; A223-T235 VanDerWaalsContact CB-O 3.3Å; A223-T235 WeakPolarHBondContact CB-O 3.5Å
224P96.6Very high92.3Very high22 Ų2243.3 Ų43.314%0.14323%0.234CC..THydrogen-bonded Turncis-92.84.617.635.9-36.4000116E19 I21 F22 R234 T235E19-P224 HydrophobicContact CB-CG 4.41Å; I21-P224 HydrophobicContact CG2-CB 3.69Å; I21-P224 HydrophobicContact CG2-CG 3.85Å; F22-P224 HydrophobicContact CE2-CB 3.86Å; F22-P224 HydrophobicContact CE2-CG 4.27Å; F22-P224 HydrophobicContact CZ-CB 3.7Å; P224-R234 HydrophobicContact CB-CG 3.9Å; P224-R234 WeakPolarHBondContact O-CA 3.49Å; P224-T235 WeakPolarHBondContact CA-O 3.47Å; P224-T235 PolarHBondContact O-N 2.83Å
225V93.8Very high92.1Very high76 Ų7642.2 Ų42.246%0.46123%0.228SC..SBendtrans-103.2-177.4-169.8-62.10000112.5D222 N227 T235D222-V225 HydrophobicContact CB-CG2 4.29Å; D222-V225 WeakPolarHBondContact O-CG2 3.41Å; D222-V225 PolarHBondContact O-N 3.5Å; D222-V225 VanDerWaalsContact OD2-CG2 3.31Å; D222-V225 WeakPolarHBondContact OD2-CG2 3.19Å; V225-N227 VanDerWaalsContact C-N 3.32Å; V225-N227 PolarHBondContact O-N 3.08Å; V225-T235 VanDerWaalsContact O-CB 3.23Å; V225-T235 WeakPolarHBondContact O-CB 3.45Å; V225-T235 PolarHBondContact O-OG1 3.22Å
226L88Confident92.1Very high41 Ų4140.2 Ų40.222%0.21522%0.217CC..SBendtrans59.730.3177.4-59.4-170.1000116A175 P196 S197 S198 D222 S228A175-L226 HydrophobicContact CB-CD1 4.11Å; P196-L226 HydrophobicContact CB-CB 4.46Å; P196-L226 HydrophobicContact CB-CD1 3.69Å; P196-L226 HydrophobicContact CG-CD1 3.83Å; S197-L226 CarbonylContact C-O 3.56Å; S197-L226 VanDerWaalsContact C-O 3.26Å; S197-L226 WeakPolarHBondContact CB-O 3.26Å; S198-L226 VanDerWaalsContact CA-O 3.29Å; S198-L226 WeakPolarHBondContact CA-O 3.41Å; S198-L226 WeakPolarHBondContact CB-O 3.39Å; S198-L226 PolarHBondContact N-O 3.26Å; D222-L226 HydrophobicContact CB-CB 4.31Å; D222-L226 HydrophobicContact CB-CD1 3.86Å; D222-L226 HydrophobicContact CB-CG 4.2Å; D222-L226 WeakPolarHBondContact OD2-CD1 3.37Å; D222-L226 WeakPolarHBondContact OD2-CG 3.2Å; L226-S228 PolarHBondContact O-N 2.98Å
227N91.4Very high92.1Very high7 Ų737 Ų374%0.03721%0.205CC..  trans-56.5141.2-176.3-177.8-72.4000113.6R201 V225 S229 S230 S233 R234 T235 E239R201-N227 PolarHBondContact NE-O 2.96Å; R201-N227 PolarHBondContact NH2-O 3.06Å; V225-N227 VanDerWaalsContact C-N 3.32Å; V225-N227 PolarHBondContact O-N 3.08Å; N227-S229 PolarHBondContact O-N 3.12Å; N227-S229 PolarHBondContact OD1-N 2.84Å; N227-S230 VanDerWaalsContact CB-O 3.31Å; N227-S230 WeakPolarHBondContact CB-O 3.48Å; N227-S230 PolarHBondContact OD1-N 3.17Å; N227-S233 WeakPolarHBondContact CB-O 3.39Å; N227-S233 VanDerWaalsContact CG-CB 3.48Å; N227-R234 PolarHBondContact ND2-O 2.99Å; N227-T235 WeakPolarHBondContact CA-OG1 3.48Å; N227-T235 WeakPolarHBondContact CB-OG1 3.41Å; N227-T235 PolarHBondContact N-OG1 3.41Å; N227-E239 PolarHBondContact ND2-OE1 2.89Å
228S82.7Confident92Very high16 Ų1639 Ų3911%0.11222%0.216CC..SBendtrans-58.7-30.7-176.352.60000114.2S197 R201 L226 E239S197-S228 WeakPolarHBondContact O-CA 3.35Å; S197-S228 VanDerWaalsContact O-CB 3.25Å; S197-S228 WeakPolarHBondContact O-CB 3.49Å; R201-S228 WeakPolarHBondContact CD-O 3.39Å; R201-S228 VanDerWaalsContact CG-O 3.26Å; R201-S228 WeakPolarHBondContact CG-O 3.19Å; R201-S228 PolarHBondContact NE-O 3.14Å; L226-S228 PolarHBondContact O-N 2.98Å; S228-E239 WeakPolarHBondContact CB-OE2 3.43Å; S228-E239 PolarHBondContact N-OE2 2.88Å; S228-E239 PolarHBondContact OG-OE2 2.95Å
229S80.8Confident91.9Very high97 Ų9739.9 Ų39.968%0.67822%0.22SC*.SBendtrans-98.9-37.3-174.2-57.70000113.8N227N227-S229 PolarHBondContact O-N 3.12Å; N227-S229 PolarHBondContact OD1-N 2.84Å
230S82.7Confident91.8Very high38 Ų3839.8 Ų39.827%0.26622%0.219SC..  trans-155.3145.7-175.2172.60000111.2N227 Q232 S233N227-S230 VanDerWaalsContact CB-O 3.31Å; N227-S230 WeakPolarHBondContact CB-O 3.48Å; N227-S230 PolarHBondContact OD1-N 3.17Å; S230-Q232 PolarHBondContact O-N 3.36Å; S230-Q232 PolarHBondContact OG-N 3.11Å; S230-Q232 VanDerWaalsContact OG-N 3.13Å; S230-S233 PolarHBondContact O-N 3.37Å
231L78.4Confident91.8Very high133 Ų13341 Ų4170%0.69623%0.225SC*.THydrogen-bonded Turntrans-64.7-15.9172.8-70.1171.8000113.7
232Q79.8Confident91.7Very high186 Ų18645.1 Ų45.187%0.86924%0.243SC*.THydrogen-bonded Turntrans-95.7-11.2-176.1-64.5161.14.900113.1S230S230-Q232 PolarHBondContact O-N 3.36Å; S230-Q232 PolarHBondContact OG-N 3.11Å; S230-Q232 VanDerWaalsContact OG-N 3.13Å
233S86.8Confident91.7Very high53 Ų5344.6 Ų44.637%0.37124%0.24SC..SBendtrans-86.2140.7-179.6-65.60000110.5N227 S230 T235N227-S233 WeakPolarHBondContact CB-O 3.39Å; N227-S233 VanDerWaalsContact CG-CB 3.48Å; S230-S233 PolarHBondContact O-N 3.37Å; S233-T235 PolarHBondContact O-N 3.31Å
234R93.9Very high91.7Very high71 Ų7144.6 Ų44.627%0.26824%0.24SC..PPolyproline II helixtrans-68.5125.2171.3-178.4175.278.7174.61.2109.3I21 F22 D25 P224 N227 E236I21-R234 HydrophobicContact CD1-CB 4.23Å; I21-R234 HydrophobicContact CD1-CG 4.07Å; I21-R234 PolarHBondContact O-NH1 3.43Å; I21-R234 VanDerWaalsContact O-NH1 3.08Å; F22-R234 HydrophobicContact CE1-CG 4.05Å; F22-R234 HydrophobicContact CZ-CG 4.29Å; D25-R234 IonicContact OD1-CZ 3.64Å; D25-R234 IonicContact OD1-NH1 3.82Å; D25-R234 PolarHBondContact OD1-NH1 3.11Å; D25-R234 IonicContact OD1-NH2 3.13Å; D25-R234 IonicContact OD2-CZ 3.83Å; D25-R234 IonicContact OD2-NH1 3.64Å; D25-R234 PolarHBondContact OD2-NH1 3.5Å; D25-R234 IonicContact OD2-NH2 3.16Å; D25-R234 PolarHBondContact OD2-NH2 3.04Å; P224-R234 HydrophobicContact CB-CG 3.9Å; P224-R234 WeakPolarHBondContact O-CA 3.49Å; N227-R234 PolarHBondContact ND2-O 2.99Å; R234-E236 IonicContact CZ-OE1 3.19Å; R234-E236 IonicContact NE-OE1 3.66Å; R234-E236 PolarHBondContact NE-OE1 3.27Å; R234-E236 IonicContact NH2-OE1 3.8Å; R234-E236 PolarHBondContact NH2-OE1 3.22Å
235T95.8Very high91.8Very high0 Ų048.2 Ų48.20%026%0.255CS..PPolyproline II helixtrans-83.7151.3167-47.40000110S197 A223 P224 V225 N227 S233 E239S197-T235 WeakPolarHBondContact OG-CG2 3.4Å; A223-T235 HydrophobicContact CB-CG2 4.49Å; A223-T235 VanDerWaalsContact CB-O 3.3Å; A223-T235 WeakPolarHBondContact CB-O 3.5Å; P224-T235 WeakPolarHBondContact CA-O 3.47Å; P224-T235 PolarHBondContact O-N 2.83Å; V225-T235 VanDerWaalsContact O-CB 3.23Å; V225-T235 WeakPolarHBondContact O-CB 3.45Å; V225-T235 PolarHBondContact O-OG1 3.22Å; N227-T235 WeakPolarHBondContact CA-OG1 3.48Å; N227-T235 WeakPolarHBondContact CB-OG1 3.41Å; N227-T235 PolarHBondContact N-OG1 3.41Å; S233-T235 PolarHBondContact O-N 3.31Å; T235-E239 HydrophobicContact CG2-CB 3.98Å; T235-E239 HydrophobicContact CG2-CG 4.13Å
236E97Very high92Very high22 Ų2247.1 Ų47.110%0.10325%0.245CC..  trans-131.6160.1174.3-71.4-178.8-163.800109.9F22 V29 R32 T221 R234 D238 E239F22-E236 HydrophobicContact CE1-CG 4.23Å; V29-E236 HydrophobicContact CG1-CB 4.16Å; V29-E236 HydrophobicContact CG1-CG 3.95Å; V29-E236 HydrophobicContact CG2-CG 4.35Å; R32-E236 IonicContact CZ-OE1 3.27Å; R32-E236 IonicContact CZ-OE2 2.8Å; R32-E236 IonicContact NE-OE1 3.98Å; R32-E236 IonicContact NE-OE2 3.77Å; R32-E236 PolarHBondContact NE-OE2 3.38Å; R32-E236 IonicContact NH2-OE1 2.84Å; R32-E236 PolarHBondContact NH2-OE1 3.41Å; R32-E236 IonicContact NH2-OE2 3.32Å; R32-E236 PolarHBondContact NH2-OE2 2.79Å; T221-E236 WeakPolarHBondContact CG2-O 3.4Å; R234-E236 IonicContact CZ-OE1 3.19Å; R234-E236 IonicContact NE-OE1 3.66Å; R234-E236 PolarHBondContact NE-OE1 3.27Å; R234-E236 IonicContact NH2-OE1 3.8Å; R234-E236 PolarHBondContact NH2-OE1 3.22Å; E236-D238 WeakPolarHBondContact CB-OD1 3.35Å; E236-D238 PolarHBondContact O-N 3.11Å; E236-D238 VanDerWaalsContact O-N 3.1Å; E236-E239 WeakPolarHBondContact O-CB 3.46Å; E236-E239 PolarHBondContact O-N 2.86Å
237P98Very high92.5Very high0 Ų045.1 Ų45.10%024%0.235CC..G310 helixtrans-58.8-24-175.9-27.236.4000114.8D12 L17 V29 A33 V38 W64 E239 A240D12-P237 HydrophobicContact CB-CB 4.4Å; L17-P237 HydrophobicContact CD1-CG 4.26Å; L17-P237 HydrophobicContact CD2-CG 3.86Å; V29-P237 HydrophobicContact CG1-CG 4.47Å; A33-P237 HydrophobicContact CB-CB 3.85Å; V38-P237 WeakPolarHBondContact CG2-O 3.33Å; W64-P237 HydrophobicContact CH2-CB 3.94Å; W64-P237 HydrophobicContact CH2-CG 4.07Å; W64-P237 HydrophobicContact CZ2-CB 4.4Å; P237-E239 PolarHBondContact O-N 3.3Å; P237-A240 WeakPolarHBondContact O-CB 2.99Å; P237-A240 PolarHBondContact O-N 2.94Å; P237-A240 VanDerWaalsContact O-N 3.12Å
238D96.7Very high92.9Very high43 Ų4345.2 Ų45.223%0.2324%0.236CC..G310 helixtrans-63.1-23.5175.767.5-37.9000113.2A33 A36 E236 A240 I241A33-D238 HydrophobicContact CB-CB 4.43Å; A36-D238 HydrophobicContact CB-CB 3.86Å; E236-D238 WeakPolarHBondContact CB-OD1 3.35Å; E236-D238 PolarHBondContact O-N 3.11Å; E236-D238 VanDerWaalsContact O-N 3.1Å; D238-A240 PolarHBondContact O-N 3.26Å; D238-A240 VanDerWaalsContact O-N 3.17Å; D238-I241 PolarHBondContact O-N 3.18Å
239E96.6Very high93.6Very high18 Ų1851.6 Ų51.68%0.08426%0.264CS..G310 helixtrans-65.2-14.3174.1-68.6-156.3-16300113.3S197 T221 N227 S228 T235 E236 P237 I241 K242 V243S197-E239 WeakPolarHBondContact OG-CB 3.31Å; T221-E239 HydrophobicContact CG2-CB 4.3Å; N227-E239 PolarHBondContact ND2-OE1 2.89Å; S228-E239 WeakPolarHBondContact CB-OE2 3.43Å; S228-E239 PolarHBondContact N-OE2 2.88Å; S228-E239 PolarHBondContact OG-OE2 2.95Å; T235-E239 HydrophobicContact CG2-CB 3.98Å; T235-E239 HydrophobicContact CG2-CG 4.13Å; E236-E239 WeakPolarHBondContact O-CB 3.46Å; E236-E239 PolarHBondContact O-N 2.86Å; P237-E239 PolarHBondContact O-N 3.3Å; E239-I241 PolarHBondContact O-N 3.26Å; E239-I241 VanDerWaalsContact O-N 3.17Å; E239-K242 WeakPolarHBondContact O-CA 3.38Å; E239-K242 WeakPolarHBondContact O-CB 3.49Å; E239-K242 PolarHBondContact O-N 3.48Å; E239-V243 PolarHBondContact O-N 3.12Å; E239-V243 VanDerWaalsContact O-N 3.09Å
240A97.7Very high94.5Very high0 Ų049.2 Ų49.20%024%0.243CC..Hα-helixtrans-55.8-32.7173.200000112.1V10 D12 V38 V219 T221 P237 D238 K242 V243 C244V10-A240 HydrophobicContact CG1-CB 3.76Å; D12-A240 HydrophobicContact CB-CB 4.43Å; V38-A240 HydrophobicContact CG2-CB 4.12Å; V219-A240 HydrophobicContact CG1-CB 3.76Å; V219-A240 WeakPolarHBondContact CG1-O 3.35Å; T221-A240 HydrophobicContact CG2-CB 3.81Å; T221-A240 VanDerWaalsContact CG2-N 3.32Å; P237-A240 WeakPolarHBondContact O-CB 2.99Å; P237-A240 PolarHBondContact O-N 2.94Å; P237-A240 VanDerWaalsContact O-N 3.12Å; D238-A240 PolarHBondContact O-N 3.26Å; D238-A240 VanDerWaalsContact O-N 3.17Å; A240-K242 PolarHBondContact O-N 3.42Å; A240-V243 WeakPolarHBondContact O-CB 3.09Å; A240-V243 PolarHBondContact O-N 3.42Å; A240-C244 PolarHBondContact O-N 3.02Å; A240-C244 VanDerWaalsContact O-N 3.12Å
241I97.2Very high95.2Very high24 Ų2450.1 Ų50.112%0.12324%0.243CC..Hα-helixtrans-61.3-45.3174.2-59.7-56.2000111.1V10 A36 V38 D238 E239 V243 C244 E245 F255V10-I241 HydrophobicContact CB-CD1 3.96Å; V10-I241 HydrophobicContact CG2-CD1 3.61Å; A36-I241 HydrophobicContact CB-CG1 4.03Å; A36-I241 VanDerWaalsContact O-CD1 3.22Å; A36-I241 WeakPolarHBondContact O-CD1 3.43Å; A36-I241 VanDerWaalsContact O-CG1 3.26Å; A36-I241 WeakPolarHBondContact O-CG1 3.47Å; V38-I241 HydrophobicContact CG2-CD1 4Å; V38-I241 HydrophobicContact CG2-CG1 3.99Å; D238-I241 PolarHBondContact O-N 3.18Å; E239-I241 PolarHBondContact O-N 3.26Å; E239-I241 VanDerWaalsContact O-N 3.17Å; I241-V243 VanDerWaalsContact C-N 3.28Å; I241-V243 PolarHBondContact O-N 2.93Å; I241-C244 WeakPolarHBondContact O-CB 3.34Å; I241-C244 PolarHBondContact O-N 3.36Å; I241-C244 VanDerWaalsContact O-N 3.15Å; I241-E245 WeakPolarHBondContact O-CG 3.36Å; I241-E245 PolarHBondContact O-N 3.02Å; I241-F255 HydrophobicContact CG2-CE2 4.13Å; I241-F255 HydrophobicContact CG2-CZ 3.95Å
242K96.4Very high96.2Very high88 Ų8847.1 Ų47.138%0.38324%0.244SC..Hα-helixtrans-65.5-35178.7-62177.3-175.1165.60111E239 A240 C244 E245 H246E239-K242 WeakPolarHBondContact O-CA 3.38Å; E239-K242 WeakPolarHBondContact O-CB 3.49Å; E239-K242 PolarHBondContact O-N 3.48Å; A240-K242 PolarHBondContact O-N 3.42Å; K242-C244 VanDerWaalsContact C-N 3.34Å; K242-E245 PolarHBondContact O-N 3.41Å; K242-H246 PolarHBondContact O-N 3Å; K242-H246 PolarHBondContact O-ND1 2.65Å
243V98.1Very high97Very high2 Ų241.4 Ų41.41%0.01222%0.218CC..Hα-helixtrans-59.9-46.3173.4178.20000110.6I195 V219 E239 A240 I241 E245 H246 I247I195-V243 HydrophobicContact CB-CG1 4.29Å; I195-V243 HydrophobicContact CG2-CG1 4.18Å; I195-V243 VanDerWaalsContact O-CG1 3.28Å; I195-V243 WeakPolarHBondContact O-CG1 3.25Å; V219-V243 HydrophobicContact CB-CG1 4.49Å; V219-V243 HydrophobicContact CG1-CB 3.86Å; V219-V243 HydrophobicContact CG1-CG1 3.9Å; V219-V243 HydrophobicContact CG2-CG1 4.13Å; E239-V243 PolarHBondContact O-N 3.12Å; E239-V243 VanDerWaalsContact O-N 3.09Å; A240-V243 WeakPolarHBondContact O-CB 3.09Å; A240-V243 PolarHBondContact O-N 3.42Å; I241-V243 VanDerWaalsContact C-N 3.28Å; I241-V243 PolarHBondContact O-N 2.93Å; V243-E245 VanDerWaalsContact C-N 3.33Å; V243-E245 PolarHBondContact O-N 3.5Å; V243-H246 PolarHBondContact O-N 3.12Å; V243-I247 HydrophobicContact CG1-CD1 3.77Å; V243-I247 HydrophobicContact CG1-CG1 4.37Å; V243-I247 WeakPolarHBondContact O-CG1 3.4Å; V243-I247 PolarHBondContact O-N 3.36Å
244C98.4Very high97.5Very high0 Ų042.8 Ų42.80%022%0.222CC..Hα-helixtrans-57.3-44175-71.90000112.4A240 I241 K242 H246 I247 A248 F255 V258A240-C244 PolarHBondContact O-N 3.02Å; A240-C244 VanDerWaalsContact O-N 3.12Å; I241-C244 WeakPolarHBondContact O-CB 3.34Å; I241-C244 PolarHBondContact O-N 3.36Å; I241-C244 VanDerWaalsContact O-N 3.15Å; K242-C244 VanDerWaalsContact C-N 3.34Å; C244-H246 PolarHBondContact O-N 3.38Å; C244-I247 PolarHBondContact O-N 2.86Å; C244-A248 WeakPolarHBondContact O-CB 3.4Å; C244-A248 PolarHBondContact O-N 2.71Å; C244-F255 HydrophobicContact CB-CD2 3.97Å; C244-F255 HydrophobicContact CB-CE2 3.62Å; C244-V258 HydrophobicContact CB-CG1 3.94Å
245E98Very high97.7Very high97 Ų9741.9 Ų41.945%0.45322%0.22SC..Hα-helixtrans-59.1-45.9177-67.2172.3158.200111.9I241 K242 V243 A248 Q249 F255I241-E245 WeakPolarHBondContact O-CG 3.36Å; I241-E245 PolarHBondContact O-N 3.02Å; K242-E245 PolarHBondContact O-N 3.41Å; V243-E245 VanDerWaalsContact C-N 3.33Å; V243-E245 PolarHBondContact O-N 3.5Å; E245-A248 WeakPolarHBondContact O-CB 3.47Å; E245-A248 PolarHBondContact O-N 2.65Å; E245-Q249 PolarHBondContact O-N 3.06Å; E245-F255 HydrophobicContact CB-CD2 4.41Å; E245-F255 HydrophobicContact CG-CD2 3.65Å; E245-F255 HydrophobicContact CG-CE2 3.68Å
246H98.2Very high97.8Very high53 Ų5345 Ų4525%0.24523%0.234CC..Hα-helixtrans-68.9-37.7179.5-72.292.4000112.4L199 P200 K242 V243 C244 A248 Q249 I250L199-H246 HydrophobicContact CD2-CB 3.59Å; L199-H246 HydrophobicContact CG-CB 4.28Å; P200-H246 VanDerWaalsContact CG-CE1 3.5Å; P200-H246 WeakPolarHBondContact CG-CE1 3.42Å; P200-H246 VanDerWaalsContact CG-NE2 3.34Å; P200-H246 WeakPolarHBondContact CG-NE2 3.35Å; K242-H246 PolarHBondContact O-N 3Å; K242-H246 PolarHBondContact O-ND1 2.65Å; V243-H246 PolarHBondContact O-N 3.12Å; C244-H246 PolarHBondContact O-N 3.38Å; H246-A248 VanDerWaalsContact C-N 3.34Å; H246-Q249 PolarHBondContact O-N 3.09Å; H246-I250 VanDerWaalsContact O-CG1 3.26Å; H246-I250 WeakPolarHBondContact O-CG1 3.47Å; H246-I250 PolarHBondContact O-N 3.43Å
247I98.7Very high97.8Very high0 Ų046.4 Ų46.40%025%0.245CC..Hα-helixtrans-61.5-45.8172.7-68.6165000110I195 L199 V209 L214 I217 V219 V243 C244 Q249 I250 K251 V258I195-I247 HydrophobicContact CB-CD1 4.17Å; I195-I247 HydrophobicContact CG1-CD1 4.39Å; I195-I247 HydrophobicContact CG2-CD1 4.38Å; I195-I247 HydrophobicContact CG2-CG1 4.46Å; L199-I247 HydrophobicContact CD2-CG1 3.85Å; V209-I247 HydrophobicContact CG1-CB 4.46Å; V209-I247 HydrophobicContact CG1-CG1 4.24Å; V209-I247 HydrophobicContact CG1-CG2 4.18Å; V209-I247 HydrophobicContact CG2-CG1 4.4Å; L214-I247 HydrophobicContact CD1-CG2 4.27Å; I217-I247 HydrophobicContact CG2-CD1 3.98Å; V219-I247 HydrophobicContact CG2-CD1 3.88Å; V243-I247 HydrophobicContact CG1-CD1 3.77Å; V243-I247 HydrophobicContact CG1-CG1 4.37Å; V243-I247 WeakPolarHBondContact O-CG1 3.4Å; V243-I247 PolarHBondContact O-N 3.36Å; C244-I247 PolarHBondContact O-N 2.86Å; I247-Q249 VanDerWaalsContact C-N 3.32Å; I247-Q249 PolarHBondContact O-N 3.29Å; I247-I250 PolarHBondContact O-N 2.58Å; I247-K251 HydrophobicContact CG2-CD 3.99Å; I247-K251 HydrophobicContact CG2-CG 4.35Å; I247-K251 WeakPolarHBondContact O-CB 3.47Å; I247-K251 WeakPolarHBondContact O-CG 3.4Å; I247-K251 PolarHBondContact O-N 2.83Å; I247-V258 HydrophobicContact CB-CG1 3.96Å; I247-V258 HydrophobicContact CD1-CG1 4.42Å; I247-V258 HydrophobicContact CG2-CG1 3.77Å; I247-V258 HydrophobicContact CG2-CG2 4.01Å
248A98.6Very high97.8Very high8 Ų846.4 Ų46.47%0.06625%0.245CC..Hα-helixtrans-58.4-45.5178.900000111.3C244 E245 H246 K251 G252 I253 F255 V258C244-A248 WeakPolarHBondContact O-CB 3.4Å; C244-A248 PolarHBondContact O-N 2.71Å; E245-A248 WeakPolarHBondContact O-CB 3.47Å; E245-A248 PolarHBondContact O-N 2.65Å; H246-A248 VanDerWaalsContact C-N 3.34Å; A248-K251 PolarHBondContact O-N 2.97Å; A248-G252 PolarHBondContact O-N 3.41Å; A248-I253 WeakPolarHBondContact CB-O 3.29Å; A248-I253 PolarHBondContact O-N 2.94Å; A248-F255 HydrophobicContact CB-CB 4.4Å; A248-V258 HydrophobicContact CB-CG2 3.77Å
249Q98.4Very high97.9Very high150 Ų15044.3 Ų44.370%0.70123%0.234SC*.Hα-helixtrans-60.6-48.1176.1-173.2-1779.400112.3E245 H246 I247 K251 G252E245-Q249 PolarHBondContact O-N 3.06Å; H246-Q249 PolarHBondContact O-N 3.09Å; I247-Q249 VanDerWaalsContact C-N 3.32Å; I247-Q249 PolarHBondContact O-N 3.29Å; Q249-K251 VanDerWaalsContact C-N 3.33Å; Q249-K251 PolarHBondContact O-N 2.94Å; Q249-G252 PolarHBondContact O-N 3.15Å
250I98.4Very high97.9Very high47 Ų4747.8 Ų47.824%0.24125%0.25CC..Hα-helixtrans-64.7-38.8-178.5-69.2166.5000111.4L199 Q206 V209 K210 H246 I247L199-I250 HydrophobicContact CD1-CD1 3.88Å; L199-I250 HydrophobicContact CD2-CD1 4.04Å; L199-I250 HydrophobicContact CG-CD1 4.12Å; Q206-I250 HydrophobicContact CB-CD1 4.19Å; Q206-I250 HydrophobicContact CG-CD1 3.9Å; V209-I250 HydrophobicContact CB-CD1 4.38Å; V209-I250 HydrophobicContact CB-CG2 4.26Å; V209-I250 HydrophobicContact CG1-CB 4.08Å; V209-I250 HydrophobicContact CG1-CD1 4.23Å; V209-I250 HydrophobicContact CG1-CG2 3.77Å; K210-I250 HydrophobicContact CG-CG2 3.49Å; K210-I250 VanDerWaalsContact CG-CG2 3.49Å; H246-I250 VanDerWaalsContact O-CG1 3.26Å; H246-I250 WeakPolarHBondContact O-CG1 3.47Å; H246-I250 PolarHBondContact O-N 3.43Å; I247-I250 PolarHBondContact O-N 2.58Å
251K98.3Very high97.9Very high58 Ų5850.1 Ų50.125%0.25226%0.261SS..Hα-helixtrans-88.1-9.8-176.7-59.4-167.384.457.30113.6V209 L212 L214 I217 I247 A248 Q249 I253V209-K251 HydrophobicContact CG1-CD 4.24Å; V209-K251 HydrophobicContact CG1-CG 4.02Å; V209-K251 PolarHBondContact O-NZ 3.1Å; L212-K251 PolarHBondContact O-NZ 3.26Å; L214-K251 HydrophobicContact CD1-CD 4.41Å; I217-K251 HydrophobicContact CD1-CD 4.25Å; I247-K251 HydrophobicContact CG2-CD 3.99Å; I247-K251 HydrophobicContact CG2-CG 4.35Å; I247-K251 WeakPolarHBondContact O-CB 3.47Å; I247-K251 WeakPolarHBondContact O-CG 3.4Å; I247-K251 PolarHBondContact O-N 2.83Å; A248-K251 PolarHBondContact O-N 2.97Å; Q249-K251 VanDerWaalsContact C-N 3.33Å; Q249-K251 PolarHBondContact O-N 2.94Å; K251-I253 HydrophobicContact CB-CD1 4.1Å; K251-I253 HydrophobicContact CB-CG1 4.02Å
252G98.3Very high97.9Very high70 Ų7049.2 Ų49.272%0.72226%0.257SS*.THydrogen-bonded Turntrans67.536179.900000113.3A248 Q249A248-G252 PolarHBondContact O-N 3.41Å; Q249-G252 PolarHBondContact O-N 3.15Å
253I98.1Very high98Very high65 Ų6545.2 Ų45.233%0.33324%0.24SC..SBendtrans-125.6170.5-17961.3178.1000110.4L214 A248 K251 T257 V258L214-I253 HydrophobicContact CD1-CD1 4.48Å; L214-I253 HydrophobicContact CD2-CD1 3.51Å; A248-I253 WeakPolarHBondContact CB-O 3.29Å; A248-I253 PolarHBondContact O-N 2.94Å; K251-I253 HydrophobicContact CB-CD1 4.1Å; K251-I253 HydrophobicContact CB-CG1 4.02Å; I253-T257 HydrophobicContact CD1-CG2 4.38Å; I253-V258 HydrophobicContact CD1-CG2 3.63Å; I253-V258 HydrophobicContact CG1-CG2 3.88Å
254D97.7Very high97.9Very high83 Ų8348.7 Ų48.744%0.44426%0.256SS..  trans-74.6146.1179.968.4102.4000112.7E256 T257 V258D254-E256 VanDerWaalsContact C-N 3.29Å; D254-E256 PolarHBondContact O-N 3.18Å; D254-E256 PolarHBondContact OD1-N 3.46Å; D254-T257 PolarHBondContact O-N 3.05Å; D254-T257 WeakPolarHBondContact OD1-CB 3.2Å; D254-T257 PolarHBondContact OD1-N 3.48Å; D254-T257 PolarHBondContact OD1-OG1 2.71Å; D254-T257 WeakPolarHBondContact OD2-CB 3.36Å; D254-T257 PolarHBondContact OD2-OG1 2.94Å; D254-V258 PolarHBondContact O-N 3.15Å
255F97.6Very high97.9Very high52 Ų5248.7 Ų48.723%0.22826%0.256CS..Hα-helixtrans-58.4-38179.4164-101.4000113R8 I241 C244 E245 A248 V258 C259R8-F255 HydrophobicContact CB-CE1 4.34Å; R8-F255 HydrophobicContact CG-CE1 4.02Å; I241-F255 HydrophobicContact CG2-CE2 4.13Å; I241-F255 HydrophobicContact CG2-CZ 3.95Å; C244-F255 HydrophobicContact CB-CD2 3.97Å; C244-F255 HydrophobicContact CB-CE2 3.62Å; E245-F255 HydrophobicContact CB-CD2 4.41Å; E245-F255 HydrophobicContact CG-CD2 3.65Å; E245-F255 HydrophobicContact CG-CE2 3.68Å; A248-F255 HydrophobicContact CB-CB 4.4Å; F255-V258 PolarHBondContact O-N 3.41Å; F255-C259 WeakPolarHBondContact CE2-SG 3.12Å; F255-C259 WeakPolarHBondContact CZ-SG 3.39Å; F255-C259 PolarHBondContact O-N 2.87Å; F255-C259 PolarHBondContact O-SG 3Å
256E97.4Very high97.9Very high64 Ų6444.1 Ų44.130%0.29923%0.234SC..Hα-helixtrans-67.8-38.4-179-60.1-169.8170.800111.3K7 R8 D254 V258 C259 H260K7-E256 HydrophobicContact CB-CB 4.34Å; R8-E256 HydrophobicContact CG-CG 4.04Å; R8-E256 IonicContact CZ-OE1 3.66Å; R8-E256 VanDerWaalsContact CZ-OE1 3.27Å; R8-E256 IonicContact NE-OE1 3.63Å; R8-E256 PolarHBondContact NE-OE1 3.09Å; R8-E256 IonicContact NH2-OE1 2.69Å; R8-E256 PolarHBondContact NH2-OE1 3.12Å; D254-E256 VanDerWaalsContact C-N 3.29Å; D254-E256 PolarHBondContact O-N 3.18Å; D254-E256 PolarHBondContact OD1-N 3.46Å; E256-V258 VanDerWaalsContact C-N 3.33Å; E256-V258 PolarHBondContact O-N 2.92Å; E256-C259 PolarHBondContact O-N 3.15Å; E256-H260 VanDerWaalsContact O-CB 3.29Å; E256-H260 WeakPolarHBondContact O-CB 3.42Å; E256-H260 PolarHBondContact O-N 3Å
257T97.4Very high97.8Very high52 Ų5243.9 Ų43.932%0.31923%0.233SC..Hα-helixtrans-60.8-41.6172.3-70.90000111.4L214 I253 D254 M261L214-T257 HydrophobicContact CD2-CG2 3.96Å; I253-T257 HydrophobicContact CD1-CG2 4.38Å; D254-T257 PolarHBondContact O-N 3.05Å; D254-T257 WeakPolarHBondContact OD1-CB 3.2Å; D254-T257 PolarHBondContact OD1-N 3.48Å; D254-T257 PolarHBondContact OD1-OG1 2.71Å; D254-T257 WeakPolarHBondContact OD2-CB 3.36Å; D254-T257 PolarHBondContact OD2-OG1 2.94Å; T257-M261 HydrophobicContact CG2-CG 4.14Å; T257-M261 VanDerWaalsContact O-CB 3.23Å; T257-M261 WeakPolarHBondContact O-CB 3.26Å; T257-M261 VanDerWaalsContact O-CG 3.23Å; T257-M261 WeakPolarHBondContact O-CG 3.26Å; T257-M261 PolarHBondContact O-N 2.93Å
258V98.4Very high97.8Very high0 Ų049.7 Ų49.70%026%0.258CS..Hα-helixtrans-63.4-49.4175.8177.30000111.1L214 C244 I247 A248 I253 D254 F255 E256 H260 M261 T262L214-V258 HydrophobicContact CD1-CG2 4.38Å; C244-V258 HydrophobicContact CB-CG1 3.94Å; I247-V258 HydrophobicContact CB-CG1 3.96Å; I247-V258 HydrophobicContact CD1-CG1 4.42Å; I247-V258 HydrophobicContact CG2-CG1 3.77Å; I247-V258 HydrophobicContact CG2-CG2 4.01Å; A248-V258 HydrophobicContact CB-CG2 3.77Å; I253-V258 HydrophobicContact CD1-CG2 3.63Å; I253-V258 HydrophobicContact CG1-CG2 3.88Å; D254-V258 PolarHBondContact O-N 3.15Å; F255-V258 PolarHBondContact O-N 3.41Å; E256-V258 VanDerWaalsContact C-N 3.33Å; E256-V258 PolarHBondContact O-N 2.92Å; V258-H260 PolarHBondContact O-N 3.35Å; V258-M261 PolarHBondContact O-N 2.96Å; V258-T262 HydrophobicContact CG1-CG2 4.07Å; V258-T262 WeakPolarHBondContact O-CB 3.18Å; V258-T262 VanDerWaalsContact O-CG2 3.26Å; V258-T262 WeakPolarHBondContact O-CG2 3.47Å; V258-T262 PolarHBondContact O-N 2.93Å; V258-T262 PolarHBondContact O-OG1 3.5Å
259C98.1Very high97.8Very high0 Ų049.7 Ų49.70%026%0.257CS..Hα-helixtrans-58.2-48179-64.90000111.6K7 V10 F255 E256 T262 T263K7-C259 WeakPolarHBondContact O-CB 3.11Å; V10-C259 HydrophobicContact CG2-CB 3.97Å; F255-C259 WeakPolarHBondContact CE2-SG 3.12Å; F255-C259 WeakPolarHBondContact CZ-SG 3.39Å; F255-C259 PolarHBondContact O-N 2.87Å; F255-C259 PolarHBondContact O-SG 3Å; E256-C259 PolarHBondContact O-N 3.15Å; C259-T262 PolarHBondContact O-OG1 2.99Å; C259-T263 WeakPolarHBondContact O-CB 3.18Å; C259-T263 PolarHBondContact O-N 3.4Å; C259-T263 PolarHBondContact O-OG1 2.95Å
260H96.6Very high97.7Very high91 Ų9143.2 Ų43.242%0.42123%0.226SC..Hα-helixtrans-61.3-52.2178.6177.659.1000111.9E256 V258 T263 E264E256-H260 VanDerWaalsContact O-CB 3.29Å; E256-H260 WeakPolarHBondContact O-CB 3.42Å; E256-H260 PolarHBondContact O-N 3Å; V258-H260 PolarHBondContact O-N 3.35Å; H260-T263 PolarHBondContact O-N 3.41Å; H260-E264 IonicContact CE1-OE1 3.51Å; H260-E264 WeakPolarHBondContact O-CB 3.4Å; H260-E264 WeakPolarHBondContact O-CG 3.4Å; H260-E264 PolarHBondContact O-N 2.79Å
261M97.3Very high97.5Very high49 Ų4942.9 Ų42.924%0.24123%0.234CC..Hα-helixtrans-65.9-42.8-175.7-74.3-68.5-61.500112.6L214 D215 T257 V258 T263 E264 N265L214-M261 HydrophobicContact CD2-CB 3.75Å; L214-M261 HydrophobicContact CD2-CG 3.74Å; L214-M261 HydrophobicContact CG-CB 3.8Å; L214-M261 HydrophobicContact CG-CG 4.23Å; D215-M261 HydrophobicContact CB-CE 3.78Å; T257-M261 HydrophobicContact CG2-CG 4.14Å; T257-M261 VanDerWaalsContact O-CB 3.23Å; T257-M261 WeakPolarHBondContact O-CB 3.26Å; T257-M261 VanDerWaalsContact O-CG 3.23Å; T257-M261 WeakPolarHBondContact O-CG 3.26Å; T257-M261 PolarHBondContact O-N 2.93Å; V258-M261 PolarHBondContact O-N 2.96Å; M261-T263 VanDerWaalsContact C-N 3.33Å; M261-E264 PolarHBondContact O-N 2.87Å; M261-N265 WeakPolarHBondContact O-CB 3.42Å; M261-N265 PolarHBondContact O-N 3.27Å; M261-N265 PolarHBondContact O-ND2 3.33Å; M261-N265 PolarHBondContact O-OD1 3.31Å
262T98.2Very high96.9Very high5 Ų545.6 Ų45.63%0.03126%0.26CS..Hα-helixtrans-68.1-35.8179.255.40000111.6L214 I217 V219 V258 C259 N265 A266L214-T262 HydrophobicContact CD1-CG2 4.43Å; I217-T262 HydrophobicContact CG2-CG2 4.11Å; V219-T262 HydrophobicContact CG2-CG2 3.78Å; V258-T262 HydrophobicContact CG1-CG2 4.07Å; V258-T262 WeakPolarHBondContact O-CB 3.18Å; V258-T262 VanDerWaalsContact O-CG2 3.26Å; V258-T262 WeakPolarHBondContact O-CG2 3.47Å; V258-T262 PolarHBondContact O-N 2.93Å; V258-T262 PolarHBondContact O-OG1 3.5Å; C259-T262 PolarHBondContact O-OG1 2.99Å; T262-N265 WeakPolarHBondContact O-CB 3.42Å; T262-N265 PolarHBondContact O-N 3.1Å; T262-A266 PolarHBondContact O-N 3.1Å
263T97.2Very high96.7Very high4 Ų442.9 Ų42.93%0.02523%0.229CC..Hα-helixtrans-67.5-46173-63.50000112.1L4 S9 I11 C259 H260 M261 N265 A266 F267L4-T263 HydrophobicContact CD1-CG2 3.36Å; S9-T263 PolarHBondContact O-OG1 2.96Å; I11-T263 HydrophobicContact CD1-CG2 3.95Å; I11-T263 HydrophobicContact CG1-CG2 4.07Å; C259-T263 WeakPolarHBondContact O-CB 3.18Å; C259-T263 PolarHBondContact O-N 3.4Å; C259-T263 PolarHBondContact O-OG1 2.95Å; H260-T263 PolarHBondContact O-N 3.41Å; M261-T263 VanDerWaalsContact C-N 3.33Å; T263-N265 VanDerWaalsContact C-N 3.26Å; T263-N265 PolarHBondContact O-N 2.93Å; T263-A266 WeakPolarHBondContact O-CB 3.23Å; T263-A266 PolarHBondContact O-N 3.22Å; T263-A266 VanDerWaalsContact O-N 3.1Å; T263-F267 HydrophobicContact CG2-CD2 4.01Å; T263-F267 HydrophobicContact CG2-CE2 3.72Å; T263-F267 VanDerWaalsContact O-CD2 3.25Å; T263-F267 WeakPolarHBondContact O-CD2 3.4Å; T263-F267 PolarHBondContact O-N 2.93Å; T263-F267 VanDerWaalsContact O-N 3.11Å
264E96.4Very high96.1Very high75 Ų7542.9 Ų42.935%0.3523%0.23SC..Hα-helixtrans-58.2-39.6173.5-78.5-69133.400111.7H260 M261 A266 F267 K268H260-E264 IonicContact CE1-OE1 3.51Å; H260-E264 WeakPolarHBondContact O-CB 3.4Å; H260-E264 WeakPolarHBondContact O-CG 3.4Å; H260-E264 PolarHBondContact O-N 2.79Å; M261-E264 PolarHBondContact O-N 2.87Å; E264-A266 VanDerWaalsContact C-N 3.34Å; E264-A266 PolarHBondContact O-N 3.39Å; E264-F267 PolarHBondContact O-N 3.25Å; E264-K268 VanDerWaalsContact O-CG 3.29Å; E264-K268 WeakPolarHBondContact O-CG 3.25Å; E264-K268 PolarHBondContact O-N 3.31Å
265N98.1Very high95.5Very high0 Ų039.7 Ų39.70%021%0.213CC..Hα-helixtrans-62-40.7175-69.8-15.6000112Y192 L214 D215 I217 L218 M261 T262 T263 K268 L269Y192-N265 HydrophobicContact CD1-CB 4.01Å; Y192-N265 HydrophobicContact CE1-CB 3.55Å; L214-N265 PolarHBondContact O-ND2 3.23Å; D215-N265 VanDerWaalsContact C-ND2 3.28Å; D215-N265 WeakPolarHBondContact CA-ND2 3.34Å; D215-N265 PolarHBondContact O-OD1 2.92Å; I217-N265 PolarHBondContact O-ND2 3.09Å; L218-N265 HydrophobicContact CD2-CB 3.55Å; M261-N265 WeakPolarHBondContact O-CB 3.42Å; M261-N265 PolarHBondContact O-N 3.27Å; M261-N265 PolarHBondContact O-ND2 3.33Å; M261-N265 PolarHBondContact O-OD1 3.31Å; T262-N265 WeakPolarHBondContact O-CB 3.42Å; T262-N265 PolarHBondContact O-N 3.1Å; T263-N265 VanDerWaalsContact C-N 3.26Å; T263-N265 PolarHBondContact O-N 2.93Å; N265-K268 PolarHBondContact O-N 3.5Å; N265-L269 PolarHBondContact O-N 2.87Å
266A98.2Very high94.5Very high0 Ų042 Ų420%022%0.223CC..Hα-helixtrans-61.7-44.2176.100000111.3I11 T13 L218 T262 T263 E264 L269 Y270 L273I11-A266 HydrophobicContact CB-CB 4.3Å; I11-A266 HydrophobicContact CD1-CB 4.1Å; I11-A266 HydrophobicContact CG2-CB 4.38Å; T13-A266 HydrophobicContact CG2-CB 3.79Å; L218-A266 HydrophobicContact CD2-CB 4.02Å; L218-A266 VanDerWaalsContact CD2-N 3.31Å; T262-A266 PolarHBondContact O-N 3.1Å; T263-A266 WeakPolarHBondContact O-CB 3.23Å; T263-A266 PolarHBondContact O-N 3.22Å; T263-A266 VanDerWaalsContact O-N 3.1Å; E264-A266 VanDerWaalsContact C-N 3.34Å; E264-A266 PolarHBondContact O-N 3.39Å; A266-L269 PolarHBondContact O-N 2.61Å; A266-Y270 WeakPolarHBondContact O-CB 3.39Å; A266-Y270 PolarHBondContact O-N 3.46Å; A266-L273 HydrophobicContact CB-CD1 3.98Å
267F97.1Very high92.9Very high48 Ų4844.8 Ų44.821%0.21125%0.249CC..Hα-helixtrans-64.2-39173.6-77.3-74.6000113L4 I11 T263 E264 L269 G271 L273 V275L4-F267 HydrophobicContact CD1-CE2 3.56Å; L4-F267 HydrophobicContact CD1-CZ 4.13Å; I11-F267 HydrophobicContact CD1-CD2 4.22Å; I11-F267 HydrophobicContact CD1-CE2 3.66Å; I11-F267 HydrophobicContact CD1-CZ 4Å; T263-F267 HydrophobicContact CG2-CD2 4.01Å; T263-F267 HydrophobicContact CG2-CE2 3.72Å; T263-F267 VanDerWaalsContact O-CD2 3.25Å; T263-F267 WeakPolarHBondContact O-CD2 3.4Å; T263-F267 PolarHBondContact O-N 2.93Å; T263-F267 VanDerWaalsContact O-N 3.11Å; E264-F267 PolarHBondContact O-N 3.25Å; F267-L269 VanDerWaalsContact C-N 3.34Å; F267-L269 PolarHBondContact O-N 2.86Å; F267-G271 WeakPolarHBondContact CD1-O 3.49Å; F267-G271 WeakPolarHBondContact O-CA 3.47Å; F267-G271 PolarHBondContact O-N 3.14Å; F267-L273 HydrophobicContact CD1-CB 4.19Å; F267-L273 HydrophobicContact CD1-CD1 4.49Å; F267-L273 HydrophobicContact CD1-CG 4.46Å; F267-L273 HydrophobicContact CE1-CB 3.76Å; F267-L273 HydrophobicContact CE1-CG 4.49Å; F267-L273 HydrophobicContact CZ-CB 4.32Å; F267-V275 HydrophobicContact CZ-CG1 3.79Å; F267-V275 HydrophobicContact CZ-CG2 3.97Å
268K97.5Very high92.7Very high123 Ų12344.5 Ų44.554%0.53525%0.245SC..Hα-helixtrans-62.5-40.6176.9-74.8168.8-171.6167.30112.2E264 N265E264-K268 VanDerWaalsContact O-CG 3.29Å; E264-K268 WeakPolarHBondContact O-CG 3.25Å; E264-K268 PolarHBondContact O-N 3.31Å; N265-K268 PolarHBondContact O-N 3.5Å
269L98.5Very high92.4Very high8 Ų846.8 Ų46.84%0.04226%0.258CS..Hα-helixtrans-77.8-50.7-178.4178.759.1000112.4P147 K170 Q172 Y192 L218 N265 A266 F267P147-L269 HydrophobicContact CB-CD1 3.83Å; P147-L269 HydrophobicContact CB-CG 4.03Å; K170-L269 HydrophobicContact CB-CD1 3.83Å; Q172-L269 HydrophobicContact CB-CD2 3.7Å; Y192-L269 HydrophobicContact CD2-CB 4.12Å; Y192-L269 HydrophobicContact CD2-CD1 4.08Å; Y192-L269 HydrophobicContact CD2-CD2 4.02Å; Y192-L269 HydrophobicContact CD2-CG 4.31Å; Y192-L269 HydrophobicContact CE2-CB 4.11Å; Y192-L269 HydrophobicContact CE2-CD1 4.39Å; Y192-L269 HydrophobicContact CG-CD2 4.26Å; L218-L269 HydrophobicContact CD1-CD2 3.83Å; N265-L269 PolarHBondContact O-N 2.87Å; A266-L269 PolarHBondContact O-N 2.61Å; F267-L269 VanDerWaalsContact C-N 3.34Å; F267-L269 PolarHBondContact O-N 2.86Å
270Y98Very high92Very high14 Ų1449.4 Ų49.46%0.05527%0.272CS..Hα-helixtrans-93.2-9.7-171.7-71-83000114.2I42 V107 P147 N149 Q172 A266 S272 L273I42-Y270 HydrophobicContact CD1-CD1 3.87Å; I42-Y270 HydrophobicContact CD1-CD2 3.36Å; I42-Y270 HydrophobicContact CD1-CE1 3.86Å; I42-Y270 HydrophobicContact CD1-CE2 3.3Å; I42-Y270 HydrophobicContact CD1-CG 3.65Å; V107-Y270 HydrophobicContact CB-CD1 4.15Å; V107-Y270 HydrophobicContact CG2-CD1 3.83Å; V107-Y270 HydrophobicContact CG2-CE1 4.37Å; V107-Y270 WeakPolarHBondContact O-CD1 3.38Å; P147-Y270 HydrophobicContact CB-CD1 4.26Å; P147-Y270 HydrophobicContact CB-CE1 4.12Å; P147-Y270 HydrophobicContact CG-CD1 3.32Å; P147-Y270 HydrophobicContact CG-CE1 3.51Å; P147-Y270 HydrophobicContact CG-CG 4.1Å; N149-Y270 WeakPolarHBondContact CB-OH 3.46Å; N149-Y270 PolarHBondContact ND2-OH 3.06Å; Q172-Y270 VanDerWaalsContact OE1-CE2 3.32Å; Q172-Y270 PolarHBondContact OE1-OH 3.05Å; A266-Y270 WeakPolarHBondContact O-CB 3.39Å; A266-Y270 PolarHBondContact O-N 3.46Å; Y270-S272 PolarHBondContact O-N 3.31Å; Y270-L273 HydrophobicContact CG-CD2 4.28Å
271G93.1Very high91.8Very high39 Ų3946.9 Ų46.940%0.40226%0.264SS..SBendtrans73-125.7-177.400000111.6F267 L273F267-G271 WeakPolarHBondContact CD1-O 3.49Å; F267-G271 WeakPolarHBondContact O-CA 3.47Å; F267-G271 PolarHBondContact O-N 3.14Å; G271-L273 PolarHBondContact O-N 3.35Å; G271-L273 VanDerWaalsContact O-N 3.11Å
272S86.5Confident91.4Very high115 Ų11546.8 Ų46.880%0.80427%0.265SS*.SBendtrans-78.299.4-176-63.30000111Y270Y270-S272 PolarHBondContact O-N 3.31Å
273L92.5Very high91Very high13 Ų1349.6 Ų49.67%0.06828%0.281CS..  trans-91.3141.4170.8-64.4174.4000110.6I11 I42 N66 V107 A266 F267 Y270 G271 V275I11-L273 HydrophobicContact CD1-CD1 3.65Å; I11-L273 HydrophobicContact CG2-CD1 4.37Å; I42-L273 HydrophobicContact CD1-CD2 4.24Å; I42-L273 HydrophobicContact CG1-CD2 4.39Å; N66-L273 HydrophobicContact CB-CD2 4.08Å; V107-L273 HydrophobicContact CB-CD2 4.24Å; V107-L273 HydrophobicContact CG1-CD2 4.07Å; V107-L273 HydrophobicContact CG2-CD2 4.19Å; A266-L273 HydrophobicContact CB-CD1 3.98Å; F267-L273 HydrophobicContact CD1-CB 4.19Å; F267-L273 HydrophobicContact CD1-CD1 4.49Å; F267-L273 HydrophobicContact CD1-CG 4.46Å; F267-L273 HydrophobicContact CE1-CB 3.76Å; F267-L273 HydrophobicContact CE1-CG 4.49Å; F267-L273 HydrophobicContact CZ-CB 4.32Å; Y270-L273 HydrophobicContact CG-CD2 4.28Å; G271-L273 PolarHBondContact O-N 3.35Å; G271-L273 VanDerWaalsContact O-N 3.11Å; L273-V275 HydrophobicContact CB-CG1 4.43Å
274N86.5Confident90.5Very high65 Ų6552.9 Ų52.935%0.34830%0.299SS..  trans-79.7119.1169.4-57.3-77.1000108K58 P62 D63 N66K58-N274 VanDerWaalsContact NZ-CG 3.34Å; K58-N274 PolarHBondContact NZ-ND2 3.24Å; P62-N274 WeakPolarHBondContact O-CB 3.46Å; D63-N274 CarbonylContact O-C 3.22Å; N66-N274 PolarHBondContact ND2-O 3.46Å; N66-N274 WeakPolarHBondContact OD1-CB 3.32Å; N66-N274 PolarHBondContact OD1-N 3.44Å; N66-N274 PolarHBondContact OD1-ND2 2.86Å
275V84Confident90.1Very high17 Ų1751.2 Ų51.210%0.10330%0.295CS..  trans-131.6139.5179.3-66.10000110.1L4 I11 H39 D63 F267 L273 C277L4-V275 HydrophobicContact CD2-CG2 4.42Å; I11-V275 HydrophobicContact CD1-CG1 3.81Å; I11-V275 HydrophobicContact CG1-CG1 4.24Å; H39-V275 HydrophobicContact CB-CB 4.35Å; H39-V275 CarbonylContact O-C 3Å; H39-V275 VanDerWaalsContact O-CA 3.29Å; H39-V275 WeakPolarHBondContact O-CA 3.36Å; D63-V275 CarbonylContact O-C 3.42Å; D63-V275 VanDerWaalsContact O-CA 3.27Å; D63-V275 WeakPolarHBondContact O-CA 3.43Å; D63-V275 PolarHBondContact O-N 3.26Å; F267-V275 HydrophobicContact CZ-CG1 3.79Å; F267-V275 HydrophobicContact CZ-CG2 3.97Å; L273-V275 HydrophobicContact CB-CG1 4.43Å; V275-C277 PolarHBondContact O-N 3.21Å
276K77.3Confident89.4Confident99 Ų9955.4 Ų55.443%0.4332%0.32SS..  trans-89.3103.6178.5-167.2175.7-175.9178.60108.6I34 H39 D63I34-K276 HydrophobicContact CD1-CD 3.95Å; I34-K276 HydrophobicContact CG1-CD 4.49Å; I34-K276 HydrophobicContact CG2-CD 4.5Å; H39-K276 VanDerWaalsContact CB-O 3.32Å; H39-K276 WeakPolarHBondContact CB-O 3.48Å; H39-K276 PolarHBondContact CD2-O 2.85Å; H39-K276 PolarHBondContact O-N 3.19Å; D63-K276 PolarHBondContact O-N 3.17Å
277C63.6Low88.6Confident124 Ų12460.5 Ų60.584%0.83835%0.349SS*.  trans-770176.7-60.30000112.8V275V275-C277 PolarHBondContact O-N 3.21Å

Retrieved 277 of 277 residues in 66.8 ms (Link to these results)

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