C4QMR1_SCHMA Loading...

tRNA-dihydrouridine(16/17) synthase [NAD(P)(+)]

AlphaFold DB , UniProt , Accession C4QMR1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 441 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
1M77.7Confident95.4Very high200 Ų20068.7 Ų68.799%0.98537%0.368SS*.  0129.30-174.8172-9100107.1D5M1-D5 HydrophobicContact CG-CB 3.36Å; M1-D5 HydrophobicContact SD-CB 4.25Å
2S91.8Very high95.6Very high38 Ų3867.1 Ų67.127%0.26635%0.353SS..  trans-72.7166.2178.974.90000111.1L4 D5 S6S2-L4 VanDerWaalsContact C-N 3.29Å; S2-L4 PolarHBondContact O-N 2.95Å; S2-D5 VanDerWaalsContact CB-OD2 3.32Å; S2-D5 WeakPolarHBondContact CB-OD2 3.21Å; S2-D5 PolarHBondContact N-OD2 3.33Å; S2-D5 PolarHBondContact O-N 3.14Å; S2-D5 PolarHBondContact OG-N 2.97Å; S2-D5 PolarHBondContact OG-OD1 3.25Å; S2-D5 PolarHBondContact OG-OD2 2.69Å; S2-S6 PolarHBondContact O-N 2.95Å
3L97.5Very high95.9Very high22 Ų2261.9 Ų61.912%0.11533%0.326CS..THydrogen-bonded Turntrans-58.3-42.4175.3178.859.8000111.7D5 S6 W7 P134 T136 M162 P195L3-D5 VanDerWaalsContact C-N 3.33Å; L3-D5 PolarHBondContact O-N 2.78Å; L3-S6 WeakPolarHBondContact O-CB 3.48Å; L3-S6 PolarHBondContact O-N 3.16Å; L3-S6 PolarHBondContact O-OG 3.32Å; L3-W7 HydrophobicContact CD1-CH2 3.89Å; L3-W7 HydrophobicContact CD1-CZ2 3.59Å; L3-W7 HydrophobicContact CD1-CZ3 4.47Å; L3-W7 HydrophobicContact CD2-CH2 3.66Å; L3-W7 HydrophobicContact CD2-CZ2 4.2Å; L3-W7 HydrophobicContact CD2-CZ3 4.11Å; L3-W7 HydrophobicContact CG-CE3 4.39Å; L3-W7 HydrophobicContact CG-CH2 3.71Å; L3-W7 HydrophobicContact CG-CZ2 3.95Å; L3-W7 HydrophobicContact CG-CZ3 3.93Å; L3-P134 HydrophobicContact CD1-CB 4Å; L3-P134 HydrophobicContact CD1-CG 3.56Å; L3-P134 HydrophobicContact CD2-CB 3.87Å; L3-P134 HydrophobicContact CD2-CG 4.37Å; L3-T136 HydrophobicContact CD2-CG2 4.11Å; L3-M162 HydrophobicContact CD2-CB 4.05Å; L3-P195 HydrophobicContact CB-CG 4.07Å
4L98Very high96.1Very high4 Ų457.5 Ų57.52%0.02130%0.303CS..THydrogen-bonded Turntrans-63.7-40.3178.3-68.2176.7000111.4S2 S6 W7 S9 P10 L36 M162 P195 D218 A219S2-L4 VanDerWaalsContact C-N 3.29Å; S2-L4 PolarHBondContact O-N 2.95Å; L4-S6 PolarHBondContact O-N 2.81Å; L4-W7 HydrophobicContact CD2-CE3 4.24Å; L4-W7 HydrophobicContact CD2-CZ3 4.44Å; L4-W7 CarbonylContact O-C 3.56Å; L4-W7 WeakPolarHBondContact O-CA 3.22Å; L4-W7 PolarHBondContact O-N 3.16Å; L4-S9 VanDerWaalsContact O-CA 3.23Å; L4-S9 WeakPolarHBondContact O-CA 3.42Å; L4-S9 PolarHBondContact O-N 3.48Å; L4-P10 HydrophobicContact CD2-CG 3.88Å; L4-P10 VanDerWaalsContact O-CD 3.22Å; L4-P10 WeakPolarHBondContact O-CD 3.34Å; L4-L36 HydrophobicContact CD2-CD2 4.34Å; L4-M162 HydrophobicContact CD1-SD 4.41Å; L4-M162 HydrophobicContact CD2-SD 3.69Å; L4-M162 HydrophobicContact CG-SD 4.02Å; L4-P195 HydrophobicContact CD1-CB 3.68Å; L4-P195 HydrophobicContact CG-CB 3.91Å; L4-P195 HydrophobicContact CG-CG 4.22Å; L4-D218 HydrophobicContact CD1-CB 3.61Å; L4-A219 HydrophobicContact CD1-CB 4.1Å
5D97.4Very high96.3Very high64 Ų6453.9 Ų53.934%0.34228%0.284SS..G310 helixtrans-61.5-34.6177.8-58.4-33.3000112.3M1 S2 L3 W7 N8 S9M1-D5 HydrophobicContact CG-CB 3.36Å; M1-D5 HydrophobicContact SD-CB 4.25Å; S2-D5 VanDerWaalsContact CB-OD2 3.32Å; S2-D5 WeakPolarHBondContact CB-OD2 3.21Å; S2-D5 PolarHBondContact N-OD2 3.33Å; S2-D5 PolarHBondContact O-N 3.14Å; S2-D5 PolarHBondContact OG-N 2.97Å; S2-D5 PolarHBondContact OG-OD1 3.25Å; S2-D5 PolarHBondContact OG-OD2 2.69Å; L3-D5 VanDerWaalsContact C-N 3.33Å; L3-D5 PolarHBondContact O-N 2.78Å; D5-W7 PolarHBondContact O-N 3.05Å; D5-W7 VanDerWaalsContact O-N 3.11Å; D5-N8 PolarHBondContact O-N 3.4Å; D5-N8 VanDerWaalsContact O-N 3.11Å; D5-S9 WeakPolarHBondContact CA-OG 3.43Å; D5-S9 PolarHBondContact OD1-OG 3.39Å
6S97.5Very high96.4Very high67 Ų6751.5 Ų51.547%0.46927%0.273SS..G310 helixtrans-63.3-15.3174.380.70000113.5S2 L3 L4S2-S6 PolarHBondContact O-N 2.95Å; L3-S6 WeakPolarHBondContact O-CB 3.48Å; L3-S6 PolarHBondContact O-N 3.16Å; L3-S6 PolarHBondContact O-OG 3.32Å; L4-S6 PolarHBondContact O-N 2.81Å
7W97.6Very high96.4Very high39 Ų3949.9 Ų49.915%0.14826%0.264CS..G310 helixtrans-112.126.3176.9-57.5-28.9000113.1L3 L4 D5 S9 P10 L36 P66 I68 D91 A92 M162L3-W7 HydrophobicContact CD1-CH2 3.89Å; L3-W7 HydrophobicContact CD1-CZ2 3.59Å; L3-W7 HydrophobicContact CD1-CZ3 4.47Å; L3-W7 HydrophobicContact CD2-CH2 3.66Å; L3-W7 HydrophobicContact CD2-CZ2 4.2Å; L3-W7 HydrophobicContact CD2-CZ3 4.11Å; L3-W7 HydrophobicContact CG-CE3 4.39Å; L3-W7 HydrophobicContact CG-CH2 3.71Å; L3-W7 HydrophobicContact CG-CZ2 3.95Å; L3-W7 HydrophobicContact CG-CZ3 3.93Å; L4-W7 HydrophobicContact CD2-CE3 4.24Å; L4-W7 HydrophobicContact CD2-CZ3 4.44Å; L4-W7 CarbonylContact O-C 3.56Å; L4-W7 WeakPolarHBondContact O-CA 3.22Å; L4-W7 PolarHBondContact O-N 3.16Å; D5-W7 PolarHBondContact O-N 3.05Å; D5-W7 VanDerWaalsContact O-N 3.11Å; W7-S9 VanDerWaalsContact C-N 3.33Å; W7-P10 HydrophobicContact CB-CG 4.22Å; W7-P10 WeakPolarHBondContact O-CD 3.07Å; W7-L36 HydrophobicContact CE3-CD1 4.34Å; W7-L36 HydrophobicContact CZ3-CD1 4.21Å; W7-L36 HydrophobicContact CZ3-CD2 4.46Å; W7-P66 HydrophobicContact CB-CB 4.37Å; W7-P66 HydrophobicContact CB-CG 4.08Å; W7-P66 HydrophobicContact CD2-CB 3.94Å; W7-P66 HydrophobicContact CD2-CG 4.35Å; W7-P66 HydrophobicContact CE3-CB 4.24Å; W7-P66 HydrophobicContact CE3-CG 4.41Å; W7-P66 HydrophobicContact CG-CB 4.01Å; W7-P66 HydrophobicContact CG-CG 4.25Å; W7-I68 HydrophobicContact CH2-CD1 4.01Å; W7-I68 HydrophobicContact CH2-CG1 4.3Å; W7-I68 HydrophobicContact CZ3-CD1 4.01Å; W7-D91 HydrophobicContact CZ2-CB 3.86Å; W7-A92 HydrophobicContact CH2-CB 3.81Å; W7-A92 HydrophobicContact CZ2-CB 4.07Å; W7-M162 HydrophobicContact CZ3-CE 4.45Å
8N97Very high96.3Very high157 Ų15751.9 Ų51.984%0.8428%0.279SS*.THydrogen-bonded Turntrans62.136.8-174.7-56.5-42.4000113.5D5D5-N8 PolarHBondContact O-N 3.4Å; D5-N8 VanDerWaalsContact O-N 3.11Å
9S97.6Very high96.2Very high52 Ų5252.6 Ų52.636%0.36428%0.282SS..  trans51.457.5171.9-49.40000114.3L4 D5 W7 K11L4-S9 VanDerWaalsContact O-CA 3.23Å; L4-S9 WeakPolarHBondContact O-CA 3.42Å; L4-S9 PolarHBondContact O-N 3.48Å; D5-S9 WeakPolarHBondContact CA-OG 3.43Å; D5-S9 PolarHBondContact OD1-OG 3.39Å; W7-S9 VanDerWaalsContact C-N 3.33Å; S9-K11 PolarHBondContact O-N 2.93Å
10P98.3Very high96.2Very high4 Ų450.1 Ų50.13%0.02627%0.269CS..  trans-65.9127.3-179.728.5-31.3000110.1L4 W7 Q35 L36 A219L4-P10 HydrophobicContact CD2-CG 3.88Å; L4-P10 VanDerWaalsContact O-CD 3.22Å; L4-P10 WeakPolarHBondContact O-CD 3.34Å; W7-P10 HydrophobicContact CB-CG 4.22Å; W7-P10 WeakPolarHBondContact O-CD 3.07Å; P10-Q35 HydrophobicContact CB-CB 3.52Å; P10-L36 HydrophobicContact CB-CB 4.07Å; P10-L36 HydrophobicContact CG-CB 4.22Å; P10-A219 WeakPolarHBondContact O-CB 3.39Å
11K98.5Very high96.3Very high109 Ų10947.7 Ų47.747%0.47426%0.256SS..  trans-101.6-25.5179.8-65.4-169.4177.5-175.30113.3S9 A219 V220S9-K11 PolarHBondContact O-N 2.93Å; K11-A219 WeakPolarHBondContact O-CA 3.35Å; K11-A219 WeakPolarHBondContact O-CB 3.44Å; K11-V220 PolarHBondContact O-N 2.89Å
12Y98.8Very high97.2Very high49 Ų4938.7 Ų38.719%0.19221%0.212CC..EExtended strand (participates in β ladder)trans-108.7109.1-171.7-57.8-27.2000111.6G33 Q35 L36 V208 V220 F233Y12-G33 WeakPolarHBondContact CD2-O 3.27Å; Y12-Q35 PolarHBondContact O-N 3.3Å; Y12-L36 PolarHBondContact O-N 3.46Å; Y12-V208 HydrophobicContact CD1-CG1 4.23Å; Y12-V208 HydrophobicContact CE1-CG1 3.74Å; Y12-V220 HydrophobicContact CD1-CG1 4.28Å; Y12-F233 AromaticContact CD1-CD1 3.62Å; Y12-F233 HydrophobicContact CD1-CD1 3.62Å; Y12-F233 AromaticContact CD1-CE1 3.98Å; Y12-F233 HydrophobicContact CD1-CE1 3.98Å; Y12-F233 HydrophobicContact CD1-CG 4.3Å; Y12-F233 HydrophobicContact CD2-CB 3.81Å; Y12-F233 HydrophobicContact CD2-CD1 4.26Å; Y12-F233 HydrophobicContact CD2-CG 4.16Å; Y12-F233 HydrophobicContact CE1-CD1 4.38Å; Y12-F233 HydrophobicContact CE2-CB 4.41Å; Y12-F233 HydrophobicContact CG-CB 3.95Å; Y12-F233 AromaticContact CG-CD1 3.57Å; Y12-F233 HydrophobicContact CG-CD1 3.57Å; Y12-F233 HydrophobicContact CG-CD2 4.46Å; Y12-F233 HydrophobicContact CG-CE1 4.13Å; Y12-F233 AromaticContact CG-CG 3.77Å; Y12-F233 HydrophobicContact CG-CG 3.77Å
13V98.9Very high97.5Very high0 Ų037.2 Ų37.20%020%0.201CC..EExtended strand (participates in β ladder)trans-116.6129.7-167-169.80000111.2L36 F38 I197 A219 V220 M221 S222V13-L36 WeakPolarHBondContact CA-O 3.34Å; V13-L36 HydrophobicContact CB-CB 4.49Å; V13-L36 HydrophobicContact CG1-CB 4.17Å; V13-L36 HydrophobicContact CG1-CD2 3.97Å; V13-L36 HydrophobicContact CG1-CG 4.02Å; V13-L36 HydrophobicContact CG2-CB 4.12Å; V13-L36 HydrophobicContact CG2-CD2 4.03Å; V13-L36 HydrophobicContact CG2-CG 4.5Å; V13-F38 HydrophobicContact CG1-CD2 3.93Å; V13-F38 HydrophobicContact CG1-CE2 3.57Å; V13-I197 HydrophobicContact CB-CG2 4.4Å; V13-I197 HydrophobicContact CG1-CD1 4.39Å; V13-I197 HydrophobicContact CG2-CD1 4.12Å; V13-I197 HydrophobicContact CG2-CG2 4.09Å; V13-A219 HydrophobicContact CG2-CB 3.99Å; V13-V220 VanDerWaalsContact CB-O 3.31Å; V13-V220 WeakPolarHBondContact CB-O 3.49Å; V13-V220 WeakPolarHBondContact CG2-O 3.18Å; V13-V220 PolarHBondContact N-O 2.85Å; V13-M221 HydrophobicContact CB-CB 4Å; V13-M221 HydrophobicContact CB-CG 4.38Å; V13-M221 HydrophobicContact CG1-CB 4.28Å; V13-M221 HydrophobicContact CG1-CE 3.66Å; V13-M221 HydrophobicContact CG1-CG 4.26Å; V13-M221 VanDerWaalsContact O-CA 3.27Å; V13-M221 WeakPolarHBondContact O-CA 3.36Å; V13-S222 PolarHBondContact O-N 3.44Å
14L98.8Very high97.5Very high0 Ų036.2 Ų36.20%020%0.196CC..EExtended strand (participates in β ladder)trans-87.7127.1170.1175.162.7000110.4M17 R26 V34 L36 T37 H226L14-M17 HydrophobicContact CD1-CE 3.78Å; L14-R26 HydrophobicContact CD2-CB 4.3Å; L14-R26 HydrophobicContact CD2-CG 3.81Å; L14-V34 HydrophobicContact CB-CG1 3.68Å; L14-V34 HydrophobicContact CB-CG2 4.11Å; L14-L36 PolarHBondContact N-O 3.27Å; L14-T37 HydrophobicContact CB-CG2 4.41Å; L14-T37 HydrophobicContact CD2-CG2 4.48Å; L14-H226 HydrophobicContact CD1-CB 4.13Å
15A98.7Very high97.6Very high3 Ų336 Ų363%0.02520%0.195CC..PPolyproline II helixtrans-68.7148.9-176.900000114M17 S21 M221 S222 A223A15-M17 HydrophobicContact CB-CE 4.43Å; A15-M17 HydrophobicContact CB-CG 4.26Å; A15-M17 PolarHBondContact O-N 3.1Å; A15-S21 WeakPolarHBondContact O-CB 3.37Å; A15-M221 VanDerWaalsContact CA-SD 3.58Å; A15-M221 HydrophobicContact CB-CG 3.59Å; A15-M221 HydrophobicContact CB-SD 3.56Å; A15-M221 VanDerWaalsContact CB-SD 3.56Å; A15-S222 VanDerWaalsContact CB-O 3.23Å; A15-S222 WeakPolarHBondContact CB-O 3.24Å; A15-S222 PolarHBondContact N-O 2.82Å; A15-A223 HydrophobicContact CB-CB 3.57Å
16P98.3Very high97.6Very high16 Ų1633.1 Ų33.110%0.10418%0.179CC..PPolyproline II helixtrans-68.2118.1166.824.2-27.7000110.3F38 T39 Q70 K138P16-F38 HydrophobicContact CB-CB 3.69Å; P16-F38 HydrophobicContact CB-CD1 4.47Å; P16-F38 HydrophobicContact CB-CG 4.37Å; P16-F38 HydrophobicContact CG-CB 3.99Å; P16-F38 HydrophobicContact CG-CD1 4.09Å; P16-F38 HydrophobicContact CG-CG 4.15Å; P16-T39 WeakPolarHBondContact CA-O 3.37Å; P16-T39 WeakPolarHBondContact CB-O 3.21Å; P16-Q70 HydrophobicContact CB-CB 4.17Å; P16-Q70 VanDerWaalsContact CB-OE1 3.31Å; P16-Q70 VanDerWaalsContact CG-CD 3.47Å; P16-Q70 VanDerWaalsContact CG-NE2 3.28Å; P16-Q70 VanDerWaalsContact CG-OE1 3.31Å; P16-K138 HydrophobicContact CG-CD 3.89Å
17M97.3Very high97.7Very high24 Ų2431.1 Ų31.112%0.11816%0.162CC..  trans-136.3123.2-177.9-66.5177.1-74.200110.1L14 A15 D19 G20 S21 P40 A223 L227L14-M17 HydrophobicContact CD1-CE 3.78Å; A15-M17 HydrophobicContact CB-CE 4.43Å; A15-M17 HydrophobicContact CB-CG 4.26Å; A15-M17 PolarHBondContact O-N 3.1Å; M17-D19 PolarHBondContact O-N 3.02Å; M17-G20 PolarHBondContact O-N 3.13Å; M17-S21 PolarHBondContact N-OG 3.03Å; M17-S21 PolarHBondContact O-N 2.97Å; M17-S21 VanDerWaalsContact O-N 3.15Å; M17-S21 PolarHBondContact O-OG 3.48Å; M17-P40 WeakPolarHBondContact O-CB 3.2Å; M17-A223 HydrophobicContact CG-CB 4.45Å; M17-A223 VanDerWaalsContact SD-C 3.6Å; M17-A223 HydrophobicContact SD-CB 3.78Å; M17-L227 HydrophobicContact CE-CD1 4.46Å; M17-L227 HydrophobicContact CE-CD2 3.98Å; M17-L227 HydrophobicContact CE-CG 4.04Å; M17-L227 HydrophobicContact SD-CD1 3.85Å; M17-L227 HydrophobicContact SD-CD2 4.45Å; M17-L227 HydrophobicContact SD-CG 4.01Å
18V94Very high97.7Very high87 Ų8729.3 Ų29.353%0.52716%0.155SC..THydrogen-bonded Turntrans-65.1128.2168.7179.70000108.5G20 M41V18-G20 PolarHBondContact O-N 3Å; V18-M41 HydrophobicContact CG2-CB 3.98Å; V18-M41 HydrophobicContact CG2-CE 4.09Å
19D94.3Very high97.8Very high65 Ų6521.8 Ų21.835%0.34812%0.115SC..THydrogen-bonded Turntrans59.433.1-174.6-59.8-8000112.9M17 E22 Q259 I260M17-D19 PolarHBondContact O-N 3.02Å; D19-E22 VanDerWaalsContact CA-OE1 3.23Å; D19-E22 WeakPolarHBondContact CA-OE1 3.38Å; D19-E22 PolarHBondContact N-OE1 3.34Å; D19-E22 VanDerWaalsContact N-OE1 3.11Å; D19-Q259 PolarHBondContact OD2-NE2 2.95Å; D19-I260 HydrophobicContact CB-CG1 3.96Å; D19-I260 WeakPolarHBondContact OD1-CG1 3.46Å
20G96.6Very high97.8Very high1 Ų121.3 Ų21.31%0.0111%0.106CC..THydrogen-bonded Turntrans-152.9-14.8-17400000116.5M17 V18 E22 L227 H264M17-G20 PolarHBondContact O-N 3.13Å; V18-G20 PolarHBondContact O-N 3Å; G20-E22 PolarHBondContact N-OE2 3.24Å; G20-E22 VanDerWaalsContact N-OE2 3.11Å; G20-L227 WeakPolarHBondContact O-CD2 3.27Å; G20-H264 VanDerWaalsContact CA-NE2 3.27Å; G20-H264 WeakPolarHBondContact CA-NE2 3.27Å; G20-H264 PolarHBondContact O-NE2 2.99Å
21S97.5Very high97.8Very high0 Ų027.4 Ų27.40%013%0.132CC..  trans-138.234.8-176.470.70000112.3A15 M17 R26 P40A15-S21 WeakPolarHBondContact O-CB 3.37Å; M17-S21 PolarHBondContact N-OG 3.03Å; M17-S21 PolarHBondContact O-N 2.97Å; M17-S21 VanDerWaalsContact O-N 3.15Å; M17-S21 PolarHBondContact O-OG 3.48Å; S21-R26 WeakPolarHBondContact O-CD 3.4Å; S21-R26 VanDerWaalsContact O-CG 3.26Å; S21-R26 WeakPolarHBondContact O-CG 3.41Å; S21-R26 PolarHBondContact O-NE 2.99Å; S21-P40 VanDerWaalsContact O-CD 3.29Å; S21-P40 WeakPolarHBondContact O-CD 3.34Å; S21-P40 WeakPolarHBondContact OG-CA 3.23Å
22E96.8Very high97.8Very high12 Ų1224 Ų246%0.05612%0.116CC..  trans-66.6161.6172.1-6770.5-155.300111.1D19 G20 A24 W25 R26 P40 I260 H264D19-E22 VanDerWaalsContact CA-OE1 3.23Å; D19-E22 WeakPolarHBondContact CA-OE1 3.38Å; D19-E22 PolarHBondContact N-OE1 3.34Å; D19-E22 VanDerWaalsContact N-OE1 3.11Å; G20-E22 PolarHBondContact N-OE2 3.24Å; G20-E22 VanDerWaalsContact N-OE2 3.11Å; E22-A24 VanDerWaalsContact C-N 3.33Å; E22-A24 PolarHBondContact O-N 3.34Å; E22-A24 VanDerWaalsContact O-N 3.16Å; E22-W25 WeakPolarHBondContact O-CA 3.36Å; E22-W25 WeakPolarHBondContact O-CB 3.37Å; E22-W25 PolarHBondContact O-N 3.46Å; E22-R26 PolarHBondContact O-N 3.48Å; E22-P40 HydrophobicContact CG-CG 4.18Å; E22-I260 HydrophobicContact CB-CG2 4.49Å; E22-I260 VanDerWaalsContact CD-CG2 3.49Å; E22-I260 HydrophobicContact CG-CD1 3.9Å; E22-I260 HydrophobicContact CG-CG2 3.98Å; E22-I260 WeakPolarHBondContact OE2-CG2 3.27Å; E22-H264 IonicContact OE2-CE1 3.81Å; E22-H264 PolarHBondContact OE2-CE1 3.28Å; E22-H264 IonicContact OE2-NE2 2.86Å
23L98Very high97.8Very high7 Ų722.6 Ų22.64%0.03712%0.117CC..Hα-helixtrans-50.8-46.9-170.4177.659.9000113.5W25 R26 M27 Q59 A61 D64 Y254L23-W25 VanDerWaalsContact C-N 3.26Å; L23-W25 PolarHBondContact O-N 3.41Å; L23-R26 PolarHBondContact O-N 3.29Å; L23-R26 VanDerWaalsContact O-N 3.1Å; L23-M27 HydrophobicContact CD1-CG 3.93Å; L23-M27 HydrophobicContact CD1-SD 4.07Å; L23-M27 HydrophobicContact CG-CG 4.34Å; L23-M27 VanDerWaalsContact O-CG 3.32Å; L23-M27 WeakPolarHBondContact O-CG 3.22Å; L23-M27 PolarHBondContact O-N 3.42Å; L23-Q59 HydrophobicContact CB-CB 3.69Å; L23-Q59 HydrophobicContact CD2-CB 4.05Å; L23-A61 HydrophobicContact CD1-CB 4.02Å; L23-A61 HydrophobicContact CD2-CB 4.2Å; L23-D64 HydrophobicContact CD1-CB 4.09Å; L23-D64 VanDerWaalsContact CD1-OD2 3.28Å; L23-D64 WeakPolarHBondContact CD1-OD2 3.46Å; L23-Y254 HydrophobicContact CD2-CD1 3.46Å; L23-Y254 VanDerWaalsContact CD2-CD1 3.46Å; L23-Y254 HydrophobicContact CD2-CE1 4.06Å; L23-Y254 HydrophobicContact CD2-CG 3.8Å; L23-Y254 HydrophobicContact CG-CD1 4.02Å; L23-Y254 HydrophobicContact CG-CD2 4.36Å; L23-Y254 HydrophobicContact CG-CG 3.87Å
24A98.1Very high97.8Very high1 Ų122.9 Ų22.91%0.00812%0.118CC..Hα-helixtrans-55.4-40.3176.800000113E22 L28 Y247 L250 V251E22-A24 VanDerWaalsContact C-N 3.33Å; E22-A24 PolarHBondContact O-N 3.34Å; E22-A24 VanDerWaalsContact O-N 3.16Å; A24-L28 PolarHBondContact O-N 3.46Å; A24-L28 VanDerWaalsContact O-N 3.11Å; A24-Y247 HydrophobicContact CB-CE2 3.96Å; A24-L250 HydrophobicContact CB-CB 4.19Å; A24-V251 HydrophobicContact CB-CG2 3.85Å
25W98.7Very high97.8Very high0 Ų026.8 Ų26.80%014%0.137CC..Hα-helixtrans-72.2-37.9177.7-168.3-92.2000112.2E22 L23 M27 L28 G29 H226 L227 P230 Y247 H264 L268E22-W25 WeakPolarHBondContact O-CA 3.36Å; E22-W25 WeakPolarHBondContact O-CB 3.37Å; E22-W25 PolarHBondContact O-N 3.46Å; L23-W25 VanDerWaalsContact C-N 3.26Å; L23-W25 PolarHBondContact O-N 3.41Å; W25-M27 VanDerWaalsContact C-N 3.33Å; W25-M27 PolarHBondContact O-N 2.85Å; W25-L28 HydrophobicContact CE3-CD2 4.22Å; W25-L28 HydrophobicContact CH2-CD2 4.41Å; W25-L28 HydrophobicContact CZ3-CD2 4.09Å; W25-L28 WeakPolarHBondContact O-CB 3.44Å; W25-L28 PolarHBondContact O-N 3.22Å; W25-G29 PolarHBondContact O-N 2.91Å; W25-H226 WeakPolarHBondContact CZ2-O 3.18Å; W25-H226 AromaticContact NE1-CE1 3.8Å; W25-H226 AromaticContact NE1-ND1 3.41Å; W25-H226 PolarHBondContact NE1-ND1 2.89Å; W25-L227 HydrophobicContact CD2-CD2 4.34Å; W25-L227 HydrophobicContact CZ2-CD2 3.8Å; W25-P230 HydrophobicContact CH2-CG 3.77Å; W25-P230 HydrophobicContact CZ2-CG 3.78Å; W25-Y247 HydrophobicContact CB-CE2 4.44Å; W25-Y247 AromaticContact CE3-CD2 3.76Å; W25-Y247 HydrophobicContact CE3-CD2 3.76Å; W25-Y247 AromaticContact CE3-CE2 3.8Å; W25-Y247 HydrophobicContact CE3-CE2 3.8Å; W25-Y247 HydrophobicContact CE3-CG 4.35Å; W25-Y247 HydrophobicContact CZ3-CD2 4.24Å; W25-Y247 HydrophobicContact CZ3-CG 4.39Å; W25-H264 AromaticContact CD2-CD2 3.74Å; W25-H264 AromaticContact CD2-NE2 3.78Å; W25-H264 HydrophobicContact CE3-CB 3.81Å; W25-H264 AromaticContact CE3-CD2 3.46Å; W25-H264 VanDerWaalsContact CE3-CD2 3.46Å; W25-H264 AromaticContact CE3-CE1 3.98Å; W25-H264 AromaticContact CE3-CG 3.4Å; W25-H264 VanDerWaalsContact CE3-CG 3.4Å; W25-H264 AromaticContact CE3-ND1 3.74Å; W25-H264 AromaticContact CE3-NE2 3.84Å; W25-H264 AromaticContact CG-NE2 3.85Å; W25-H264 HydrophobicContact CZ3-CB 3.61Å; W25-H264 AromaticContact CZ3-CD2 3.84Å; W25-H264 AromaticContact CZ3-CG 3.72Å; W25-L268 HydrophobicContact CH2-CD1 4.12Å; W25-L268 HydrophobicContact CH2-CD2 4Å; W25-L268 HydrophobicContact CH2-CG 3.95Å; W25-L268 HydrophobicContact CZ3-CD1 3.99Å; W25-L268 HydrophobicContact CZ3-CG 4.28Å
26R98.6Very high97.8Very high2 Ų226.6 Ų26.61%0.00814%0.135CC..Hα-helixtrans-64.1-40.2175.9-62.1-171.5-62111.52.7111.3L14 S21 E22 L23 G29 R30 T37 F38 Q59 D64L14-R26 HydrophobicContact CD2-CB 4.3Å; L14-R26 HydrophobicContact CD2-CG 3.81Å; S21-R26 WeakPolarHBondContact O-CD 3.4Å; S21-R26 VanDerWaalsContact O-CG 3.26Å; S21-R26 WeakPolarHBondContact O-CG 3.41Å; S21-R26 PolarHBondContact O-NE 2.99Å; E22-R26 PolarHBondContact O-N 3.48Å; L23-R26 PolarHBondContact O-N 3.29Å; L23-R26 VanDerWaalsContact O-N 3.1Å; R26-G29 PolarHBondContact O-N 3.29Å; R26-R30 WeakPolarHBondContact O-CG 3.45Å; R26-R30 PolarHBondContact O-N 3.47Å; R26-T37 HydrophobicContact CB-CG2 4.05Å; R26-T37 HydrophobicContact CG-CG2 4.46Å; R26-T37 PolarHBondContact NH1-OG1 3.22Å; R26-F38 WeakPolarHBondContact CD-O 3.14Å; R26-Q59 PolarHBondContact NH2-O 2.94Å; R26-D64 IonicContact CZ-OD1 3.41Å; R26-D64 IonicContact CZ-OD2 2.75Å; R26-D64 IonicContact NH1-OD1 2.66Å; R26-D64 PolarHBondContact NH1-OD1 2.99Å; R26-D64 IonicContact NH1-OD2 2.78Å; R26-D64 PolarHBondContact NH1-OD2 3.43Å; R26-D64 IonicContact NH2-OD2 3.14Å; R26-D64 PolarHBondContact NH2-OD2 3.43Å
27M98.7Very high97.8Very high26 Ų2625.9 Ų25.913%0.12813%0.13CC..Hα-helixtrans-65.5-39.7174.7-64.9-46.9-61.900112.6L23 W25 R30 K31 E63 D64 L250 Y254L23-M27 HydrophobicContact CD1-CG 3.93Å; L23-M27 HydrophobicContact CD1-SD 4.07Å; L23-M27 HydrophobicContact CG-CG 4.34Å; L23-M27 VanDerWaalsContact O-CG 3.32Å; L23-M27 WeakPolarHBondContact O-CG 3.22Å; L23-M27 PolarHBondContact O-N 3.42Å; W25-M27 VanDerWaalsContact C-N 3.33Å; W25-M27 PolarHBondContact O-N 2.85Å; M27-R30 PolarHBondContact O-N 3.25Å; M27-K31 PolarHBondContact O-N 2.95Å; M27-K31 VanDerWaalsContact O-N 3.08Å; M27-E63 HydrophobicContact CE-CB 3.97Å; M27-D64 HydrophobicContact SD-CB 3.71Å; M27-L250 HydrophobicContact CB-CD1 4.34Å; M27-L250 HydrophobicContact CB-CD2 3.99Å; M27-Y254 HydrophobicContact CB-CD2 4.49Å; M27-Y254 HydrophobicContact CB-CE2 4.21Å; M27-Y254 HydrophobicContact CG-CD2 3.95Å; M27-Y254 HydrophobicContact CG-CE2 3.58Å
28L98.7Very high97.9Very high0 Ų024.7 Ų24.70%013%0.125CC..Hα-helixtrans-59.8-50.3172.2-174.869.6000110.2A24 W25 R30 K31 Y32 P230 M243 E246 Y247 L250A24-L28 PolarHBondContact O-N 3.46Å; A24-L28 VanDerWaalsContact O-N 3.11Å; W25-L28 HydrophobicContact CE3-CD2 4.22Å; W25-L28 HydrophobicContact CH2-CD2 4.41Å; W25-L28 HydrophobicContact CZ3-CD2 4.09Å; W25-L28 WeakPolarHBondContact O-CB 3.44Å; W25-L28 PolarHBondContact O-N 3.22Å; L28-R30 VanDerWaalsContact C-N 3.31Å; L28-R30 PolarHBondContact O-N 3.15Å; L28-K31 PolarHBondContact O-N 2.87Å; L28-Y32 HydrophobicContact CD1-CD2 3.96Å; L28-Y32 HydrophobicContact CD1-CE2 3.75Å; L28-Y32 HydrophobicContact CG-CD2 4.27Å; L28-Y32 WeakPolarHBondContact O-CD2 3.17Å; L28-Y32 PolarHBondContact O-N 2.84Å; L28-Y32 VanDerWaalsContact O-N 3.17Å; L28-P230 HydrophobicContact CD2-CB 3.89Å; L28-P230 HydrophobicContact CD2-CG 3.7Å; L28-P230 HydrophobicContact CG-CB 4.06Å; L28-P230 HydrophobicContact CG-CG 4.41Å; L28-M243 HydrophobicContact CD1-SD 4.45Å; L28-E246 HydrophobicContact CD1-CB 4.4Å; L28-E246 HydrophobicContact CD1-CG 3.88Å; L28-Y247 HydrophobicContact CD2-CD2 4.36Å; L28-L250 HydrophobicContact CB-CD1 3.66Å; L28-L250 HydrophobicContact CD1-CD1 3.97Å; L28-L250 HydrophobicContact CG-CD1 4.43Å
29G98.6Very high98.1Very high0 Ų020.6 Ų20.60%010%0.1CC..Hα-helixtrans-55.3-44176.100000112.6W25 R26 K31 Y32 G33 V34W25-G29 PolarHBondContact O-N 2.91Å; R26-G29 PolarHBondContact O-N 3.29Å; G29-K31 PolarHBondContact O-N 3.19Å; G29-Y32 CarbonylContact O-C 3.54Å; G29-Y32 WeakPolarHBondContact O-CA 3.03Å; G29-Y32 PolarHBondContact O-N 3.15Å; G29-G33 PolarHBondContact O-N 3.16Å; G29-V34 VanDerWaalsContact C-CB 3.44Å; G29-V34 VanDerWaalsContact O-CB 3.29Å; G29-V34 WeakPolarHBondContact O-CB 3.32Å; G29-V34 WeakPolarHBondContact O-CG2 3.13Å; G29-V34 PolarHBondContact O-N 2.93Å
30R98.6Very high98.2Very high42 Ų4218.4 Ų18.416%0.1589%0.089CC..Hα-helixtrans-60.4-43.6178-75.6-176.8-174.2-774.3112.6R26 M27 L28 Y32 G33 V34 Q35 T37 D64 R65 P66R26-R30 WeakPolarHBondContact O-CG 3.45Å; R26-R30 PolarHBondContact O-N 3.47Å; M27-R30 PolarHBondContact O-N 3.25Å; L28-R30 VanDerWaalsContact C-N 3.31Å; L28-R30 PolarHBondContact O-N 3.15Å; R30-Y32 PolarHBondContact O-N 3Å; R30-G33 PolarHBondContact O-N 3.14Å; R30-V34 WeakPolarHBondContact CA-O 3.36Å; R30-Q35 PolarHBondContact NH1-O 2.85Å; R30-T37 HydrophobicContact CG-CG2 4.1Å; R30-T37 PolarHBondContact NH2-OG1 3.2Å; R30-D64 VanDerWaalsContact CZ-C 3.49Å; R30-D64 IonicContact CZ-OD1 2.66Å; R30-D64 VanDerWaalsContact CZ-OD1 3.27Å; R30-D64 IonicContact NE-OD1 2.76Å; R30-D64 PolarHBondContact NE-OD1 2.72Å; R30-D64 PolarHBondContact NH2-O 2.94Å; R30-D64 IonicContact NH2-OD1 2.62Å; R30-D64 PolarHBondContact NH2-OD1 3.35Å; R30-R65 PolarHBondContact NH1-O 2.99Å; R30-P66 PolarHBondContact NH2-O 2.91Å
31K98.3Very high98.2Very high132 Ų13219.6 Ų19.657%0.57410%0.095SC*.Hα-helixtrans-60.9-28.2175.4177.6160.4161.8-1560112.2M27 L28 G29 E246M27-K31 PolarHBondContact O-N 2.95Å; M27-K31 VanDerWaalsContact O-N 3.08Å; L28-K31 PolarHBondContact O-N 2.87Å; G29-K31 PolarHBondContact O-N 3.19Å; K31-E246 WeakPolarHBondContact CD-OE1 3.32Å; K31-E246 WeakPolarHBondContact CE-OE1 3.46Å; K31-E246 IonicContact NZ-OE1 3.76Å; K31-E246 PolarHBondContact NZ-OE1 3.36Å; K31-E246 IonicContact NZ-OE2 2.69Å; K31-E246 PolarHBondContact NZ-OE2 3.07Å
32Y98.3Very high98.2Very high36 Ų3619.6 Ų19.614%0.14110%0.095CC..THydrogen-bonded Turntrans-108.835.7-179.6-69.8-76000114L28 G29 R30 P230 A231 L234 M243 E246L28-Y32 HydrophobicContact CD1-CD2 3.96Å; L28-Y32 HydrophobicContact CD1-CE2 3.75Å; L28-Y32 HydrophobicContact CG-CD2 4.27Å; L28-Y32 WeakPolarHBondContact O-CD2 3.17Å; L28-Y32 PolarHBondContact O-N 2.84Å; L28-Y32 VanDerWaalsContact O-N 3.17Å; G29-Y32 CarbonylContact O-C 3.54Å; G29-Y32 WeakPolarHBondContact O-CA 3.03Å; G29-Y32 PolarHBondContact O-N 3.15Å; R30-Y32 PolarHBondContact O-N 3Å; Y32-P230 WeakPolarHBondContact CB-O 3.35Å; Y32-A231 HydrophobicContact CD1-CB 3.63Å; Y32-A231 HydrophobicContact CE1-CB 4.38Å; Y32-A231 HydrophobicContact CG-CB 4.03Å; Y32-L234 HydrophobicContact CD1-CD1 4.07Å; Y32-M243 HydrophobicContact CD1-CE 3.8Å; Y32-M243 HydrophobicContact CD2-CE 3.95Å; Y32-M243 HydrophobicContact CD2-SD 4.19Å; Y32-M243 HydrophobicContact CE1-CE 3.38Å; Y32-M243 HydrophobicContact CE2-CE 3.55Å; Y32-M243 HydrophobicContact CE2-SD 3.69Å; Y32-M243 HydrophobicContact CG-CE 4.07Å; Y32-E246 WeakPolarHBondContact CE2-OE1 3.34Å; Y32-E246 PolarHBondContact OH-OE2 2.72Å
33G98.1Very high98.2Very high20 Ų2021 Ų2121%0.20610%0.103CC..THydrogen-bonded Turntrans95.41.1164.900000116.3Y12 G29 R30 Q35Y12-G33 WeakPolarHBondContact CD2-O 3.27Å; G29-G33 PolarHBondContact O-N 3.16Å; R30-G33 PolarHBondContact O-N 3.14Å; G33-Q35 PolarHBondContact O-N 3.39Å
34V98.8Very high98.2Very high6 Ų620.7 Ų20.74%0.03610%0.101CC..  trans-68.9128.7170.2177.30000110.3L14 G29 R30 L36 T37 H226 F233L14-V34 HydrophobicContact CB-CG1 3.68Å; L14-V34 HydrophobicContact CB-CG2 4.11Å; G29-V34 VanDerWaalsContact C-CB 3.44Å; G29-V34 VanDerWaalsContact O-CB 3.29Å; G29-V34 WeakPolarHBondContact O-CB 3.32Å; G29-V34 WeakPolarHBondContact O-CG2 3.13Å; G29-V34 PolarHBondContact O-N 2.93Å; R30-V34 WeakPolarHBondContact CA-O 3.36Å; V34-L36 WeakPolarHBondContact CG1-O 3.23Å; V34-T37 HydrophobicContact CG1-CG2 3.59Å; V34-H226 WeakPolarHBondContact CG2-NE2 3.46Å; V34-F233 HydrophobicContact CG2-CD2 3.81Å; V34-F233 HydrophobicContact CG2-CE2 3.98Å
35Q98.7Very high98Very high82 Ų8224.1 Ų24.138%0.38312%0.122SC..  trans-105-29-176.3-62.2168.3-39.700112.3P10 Y12 R30 G33 P66P10-Q35 HydrophobicContact CB-CB 3.52Å; Y12-Q35 PolarHBondContact O-N 3.3Å; R30-Q35 PolarHBondContact NH1-O 2.85Å; G33-Q35 PolarHBondContact O-N 3.39Å; Q35-P66 WeakPolarHBondContact O-CD 3.35Å
36L98.8Very high97.8Very high0 Ų025.3 Ų25.30%013%0.132CC..EExtended strand (participates in β ladder)trans-130.5132.3177.2175.964.7000109.7L4 W7 P10 Y12 V13 L14 V34 F38 P66 I68 M162 I197L4-L36 HydrophobicContact CD2-CD2 4.34Å; W7-L36 HydrophobicContact CE3-CD1 4.34Å; W7-L36 HydrophobicContact CZ3-CD1 4.21Å; W7-L36 HydrophobicContact CZ3-CD2 4.46Å; P10-L36 HydrophobicContact CB-CB 4.07Å; P10-L36 HydrophobicContact CG-CB 4.22Å; Y12-L36 PolarHBondContact O-N 3.46Å; V13-L36 WeakPolarHBondContact CA-O 3.34Å; V13-L36 HydrophobicContact CB-CB 4.49Å; V13-L36 HydrophobicContact CG1-CB 4.17Å; V13-L36 HydrophobicContact CG1-CD2 3.97Å; V13-L36 HydrophobicContact CG1-CG 4.02Å; V13-L36 HydrophobicContact CG2-CB 4.12Å; V13-L36 HydrophobicContact CG2-CD2 4.03Å; V13-L36 HydrophobicContact CG2-CG 4.5Å; L14-L36 PolarHBondContact N-O 3.27Å; V34-L36 WeakPolarHBondContact CG1-O 3.23Å; L36-F38 HydrophobicContact CD2-CE2 4.14Å; L36-F38 HydrophobicContact CG-CE2 4.24Å; L36-P66 HydrophobicContact CD1-CB 3.91Å; L36-P66 HydrophobicContact CD1-CG 3.69Å; L36-I68 HydrophobicContact CD1-CD1 3.94Å; L36-I68 HydrophobicContact CD1-CG1 3.97Å; L36-I68 HydrophobicContact CD2-CD1 4.03Å; L36-I68 HydrophobicContact CG-CD1 4.38Å; L36-M162 HydrophobicContact CD2-CE 4.39Å; L36-I197 HydrophobicContact CD2-CD1 4.01Å
37T98.6Very high97.7Very high0 Ų025.2 Ų25.20%013%0.132CC..EExtended strand (participates in β ladder)trans-123.5153.4178.772.50000111.5L14 R26 R30 V34 D64 L67 I68L14-T37 HydrophobicContact CB-CG2 4.41Å; L14-T37 HydrophobicContact CD2-CG2 4.48Å; R26-T37 HydrophobicContact CB-CG2 4.05Å; R26-T37 HydrophobicContact CG-CG2 4.46Å; R26-T37 PolarHBondContact NH1-OG1 3.22Å; R30-T37 HydrophobicContact CG-CG2 4.1Å; R30-T37 PolarHBondContact NH2-OG1 3.2Å; V34-T37 HydrophobicContact CG1-CG2 3.59Å; T37-D64 PolarHBondContact OG1-OD1 2.98Å; T37-D64 VanDerWaalsContact OG1-OD1 3.11Å; T37-L67 WeakPolarHBondContact O-CA 3.2Å; T37-L67 WeakPolarHBondContact O-CD1 3.48Å; T37-I68 PolarHBondContact O-N 3.03Å
38F98.6Very high97.5Very high0 Ų025.5 Ų25.50%013%0.133CC..EExtended strand (participates in β ladder)trans-116.3145.6171.6-72.2-114.5000110V13 P16 R26 L36 I68 Q70 D94 M162 M221V13-F38 HydrophobicContact CG1-CD2 3.93Å; V13-F38 HydrophobicContact CG1-CE2 3.57Å; P16-F38 HydrophobicContact CB-CB 3.69Å; P16-F38 HydrophobicContact CB-CD1 4.47Å; P16-F38 HydrophobicContact CB-CG 4.37Å; P16-F38 HydrophobicContact CG-CB 3.99Å; P16-F38 HydrophobicContact CG-CD1 4.09Å; P16-F38 HydrophobicContact CG-CG 4.15Å; R26-F38 WeakPolarHBondContact CD-O 3.14Å; L36-F38 HydrophobicContact CD2-CE2 4.14Å; L36-F38 HydrophobicContact CG-CE2 4.24Å; F38-I68 CarbonylContact C-O 3.57Å; F38-I68 WeakPolarHBondContact CA-O 3.44Å; F38-I68 HydrophobicContact CD1-CB 3.67Å; F38-I68 HydrophobicContact CD1-CG2 3.65Å; F38-I68 HydrophobicContact CD2-CB 4.38Å; F38-I68 HydrophobicContact CE1-CB 3.67Å; F38-I68 HydrophobicContact CE1-CD1 3.94Å; F38-I68 HydrophobicContact CE1-CG1 4.37Å; F38-I68 HydrophobicContact CE1-CG2 3.42Å; F38-I68 VanDerWaalsContact CE1-CG2 3.42Å; F38-I68 HydrophobicContact CE2-CB 4.34Å; F38-I68 HydrophobicContact CE2-CD1 3.9Å; F38-I68 HydrophobicContact CE2-CG1 4.49Å; F38-I68 HydrophobicContact CG-CB 4.05Å; F38-I68 HydrophobicContact CZ-CB 4.02Å; F38-I68 HydrophobicContact CZ-CD1 3.48Å; F38-I68 VanDerWaalsContact CZ-CD1 3.48Å; F38-I68 HydrophobicContact CZ-CG1 4.25Å; F38-I68 HydrophobicContact CZ-CG2 4.11Å; F38-Q70 HydrophobicContact CD1-CB 4.43Å; F38-D94 HydrophobicContact CD1-CB 4.36Å; F38-D94 HydrophobicContact CE1-CB 3.99Å; F38-M162 HydrophobicContact CZ-CE 4.48Å; F38-M221 HydrophobicContact CD2-CE 3.88Å; F38-M221 HydrophobicContact CE2-CE 3.52Å; F38-M221 HydrophobicContact CZ-CE 3.87Å
39T98.2Very high97.3Very high1 Ų131.9 Ų31.91%0.00617%0.166CC..PPolyproline II helixtrans-60.1162.5165.465.10000110.8P16 L67 I68 V69 Q70P16-T39 WeakPolarHBondContact CA-O 3.37Å; P16-T39 WeakPolarHBondContact CB-O 3.21Å; T39-L67 HydrophobicContact CG2-CD1 3.88Å; T39-L67 HydrophobicContact CG2-CD2 4.37Å; T39-L67 HydrophobicContact CG2-CG 4.46Å; T39-I68 PolarHBondContact N-O 3.48Å; T39-V69 HydrophobicContact CG2-CB 4.28Å; T39-V69 HydrophobicContact CG2-CG1 4.39Å; T39-V69 HydrophobicContact CG2-CG2 3.75Å; T39-Q70 PolarHBondContact OG1-N 3.19Å
40P97.2Very high97Very high18 Ų1835.5 Ų35.512%0.11719%0.185CC..PPolyproline II helixtrans-52.9155.2161.3-23.436.2000110.5M17 S21 E22 I42M17-P40 WeakPolarHBondContact O-CB 3.2Å; S21-P40 VanDerWaalsContact O-CD 3.29Å; S21-P40 WeakPolarHBondContact O-CD 3.34Å; S21-P40 WeakPolarHBondContact OG-CA 3.23Å; E22-P40 HydrophobicContact CG-CG 4.18Å; P40-I42 WeakPolarHBondContact O-CG1 3.23Å; P40-I42 PolarHBondContact O-N 3.03Å
41M96.7Very high96.7Very high26 Ų2639.6 Ų39.613%0.12821%0.208CC..PPolyproline II helixtrans-62.9119.5174.7-178.2-167.970.900110.2V18 C72 N96 C99 Y109V18-M41 HydrophobicContact CG2-CB 3.98Å; V18-M41 HydrophobicContact CG2-CE 4.09Å; M41-C72 HydrophobicContact CG-CB 4.11Å; M41-C72 HydrophobicContact SD-CB 3.98Å; M41-N96 HydrophobicContact CG-CB 4.24Å; M41-N96 HydrophobicContact SD-CB 4.31Å; M41-C99 HydrophobicContact SD-CB 3.82Å; M41-Y109 HydrophobicContact CE-CE2 4.43Å
42I96.8Very high96.2Very high1 Ų138.4 Ų38.41%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-98.9130.8-177.9-54.2-178.5000110.2P40 S44 F47 Y53 C57 L58 V69 Q70 F71 C72P40-I42 WeakPolarHBondContact O-CG1 3.23Å; P40-I42 PolarHBondContact O-N 3.03Å; I42-S44 PolarHBondContact O-N 3.36Å; I42-F47 HydrophobicContact CG2-CB 3.99Å; I42-F47 HydrophobicContact CG2-CD2 3.72Å; I42-F47 HydrophobicContact CG2-CG 4.23Å; I42-Y53 HydrophobicContact CG2-CE1 3.89Å; I42-C57 HydrophobicContact CD1-CB 4.28Å; I42-C57 HydrophobicContact CG1-CB 4.21Å; I42-C57 HydrophobicContact CG2-CB 4.41Å; I42-L58 HydrophobicContact CD1-CD2 3.6Å; I42-V69 HydrophobicContact CD1-CG1 3.95Å; I42-Q70 PolarHBondContact N-O 2.97Å; I42-F71 HydrophobicContact CB-CD1 3.7Å; I42-F71 HydrophobicContact CB-CE1 3.8Å; I42-F71 HydrophobicContact CD1-CE1 4.32Å; I42-F71 HydrophobicContact CG2-CD1 3.8Å; I42-F71 HydrophobicContact CG2-CE1 3.55Å; I42-F71 CarbonylContact O-C 3.57Å; I42-F71 WeakPolarHBondContact O-CA 3.45Å; I42-C72 PolarHBondContact O-N 2.73Å
43N96.7Very high95.8Very high42 Ų4239.8 Ų39.823%0.22521%0.208CC..EExtended strand (participates in β ladder)trans-76.4115.3172.1-178.3-78.5000110.5T45 A46 F47 Y53 C72N43-T45 PolarHBondContact O-N 3.1Å; N43-T45 PolarHBondContact OD1-N 2.75Å; N43-A46 HydrophobicContact CB-CB 4.07Å; N43-A46 PolarHBondContact O-N 3.33Å; N43-A46 WeakPolarHBondContact OD1-CB 3.46Å; N43-A46 PolarHBondContact OD1-N 3.1Å; N43-F47 VanDerWaalsContact O-CB 3.27Å; N43-F47 WeakPolarHBondContact O-CB 3.47Å; N43-F47 PolarHBondContact O-N 3.39Å; N43-Y53 HydrophobicContact CB-CE1 4.47Å; N43-Y53 PolarHBondContact N-OH 3.41Å; N43-C72 VanDerWaalsContact CA-SG 3.57Å
44S97.4Very high95.5Very high0 Ų041.8 Ų41.80%021%0.209CC..Hα-helixtrans-64.1-42.1-172.5-59.60000113.5I42 F47 L48 F71 C72 A73 T78 C82I42-S44 PolarHBondContact O-N 3.36Å; S44-F47 WeakPolarHBondContact O-CB 3.3Å; S44-F47 PolarHBondContact O-N 2.96Å; S44-L48 WeakPolarHBondContact O-CG 3.24Å; S44-L48 PolarHBondContact O-N 3.28Å; S44-F71 WeakPolarHBondContact OG-CB 3.41Å; S44-F71 WeakPolarHBondContact OG-CD1 3.13Å; S44-C72 VanDerWaalsContact CB-O 3.24Å; S44-C72 WeakPolarHBondContact CB-O 3.46Å; S44-C72 PolarHBondContact N-O 2.95Å; S44-C72 PolarHBondContact OG-O 3Å; S44-A73 WeakPolarHBondContact OG-CB 3.37Å; S44-T78 VanDerWaalsContact CB-CG2 3.45Å; S44-C82 VanDerWaalsContact CB-SG 3.53Å; S44-C82 PolarHBondContact O-SG 3.28Å; S44-C82 VanDerWaalsContact O-SG 3.38Å
45T94.7Very high94.9Very high73 Ų7345.6 Ų45.645%0.44822%0.223SC..Hα-helixtrans-62.5-49.5178.1-50.60000110.8N43 F47 L48 I49N43-T45 PolarHBondContact O-N 3.1Å; N43-T45 PolarHBondContact OD1-N 2.75Å; T45-F47 PolarHBondContact O-N 3.48Å; T45-L48 PolarHBondContact O-N 2.91Å; T45-I49 HydrophobicContact CG2-CD1 4.34Å; T45-I49 VanDerWaalsContact O-CG1 3.32Å; T45-I49 WeakPolarHBondContact O-CG1 3.09Å; T45-I49 PolarHBondContact O-N 3.04Å; T45-I49 VanDerWaalsContact O-N 3.09Å
46A94.6Very high94.3Very high25 Ų2543.7 Ų43.721%0.20722%0.219CC..Hα-helixtrans-60.7-35.917700000111.9N43 N50 Y53N43-A46 HydrophobicContact CB-CB 4.07Å; N43-A46 PolarHBondContact O-N 3.33Å; N43-A46 WeakPolarHBondContact OD1-CB 3.46Å; N43-A46 PolarHBondContact OD1-N 3.1Å; A46-N50 VanDerWaalsContact O-CB 3.29Å; A46-N50 WeakPolarHBondContact O-CB 3.5Å; A46-N50 PolarHBondContact O-N 2.99Å; A46-Y53 VanDerWaalsContact C-CD1 3.43Å; A46-Y53 HydrophobicContact CB-CD1 3.63Å; A46-Y53 HydrophobicContact CB-CE1 3.66Å; A46-Y53 HydrophobicContact CB-CG 4.13Å
47F96Very high93.8Very high0 Ų044.8 Ų44.80%023%0.226CC..Hα-helixtrans-64-41.1176.4-179.7-87.2000113.2I42 N43 S44 T45 Y53 R54 L58 F71 C82 L85 V86I42-F47 HydrophobicContact CG2-CB 3.99Å; I42-F47 HydrophobicContact CG2-CD2 3.72Å; I42-F47 HydrophobicContact CG2-CG 4.23Å; N43-F47 VanDerWaalsContact O-CB 3.27Å; N43-F47 WeakPolarHBondContact O-CB 3.47Å; N43-F47 PolarHBondContact O-N 3.39Å; S44-F47 WeakPolarHBondContact O-CB 3.3Å; S44-F47 PolarHBondContact O-N 2.96Å; T45-F47 PolarHBondContact O-N 3.48Å; F47-Y53 HydrophobicContact CB-CD1 4.34Å; F47-Y53 HydrophobicContact CB-CE1 4.2Å; F47-R54 HydrophobicContact CD2-CB 4.13Å; F47-R54 HydrophobicContact CD2-CG 3.87Å; F47-R54 HydrophobicContact CE1-CG 4.32Å; F47-R54 HydrophobicContact CE2-CB 4.31Å; F47-R54 HydrophobicContact CE2-CG 3.55Å; F47-R54 HydrophobicContact CG-CG 4.43Å; F47-R54 HydrophobicContact CZ-CG 3.77Å; F47-R54 PolarHBondContact O-NE 3.5Å; F47-R54 PolarHBondContact O-NH2 2.93Å; F47-L58 HydrophobicContact CD2-CG 4.5Å; F47-L58 HydrophobicContact CE2-CD1 3.44Å; F47-L58 VanDerWaalsContact CE2-CD1 3.44Å; F47-L58 HydrophobicContact CE2-CD2 3.73Å; F47-L58 HydrophobicContact CE2-CG 3.54Å; F47-L58 HydrophobicContact CZ-CD1 3.66Å; F47-L58 HydrophobicContact CZ-CD2 4.45Å; F47-L58 HydrophobicContact CZ-CG 4.26Å; F47-F71 HydrophobicContact CB-CE1 4.27Å; F47-F71 HydrophobicContact CD1-CE1 4.14Å; F47-F71 HydrophobicContact CD1-CZ 4.4Å; F47-F71 AromaticContact CD2-CE1 3.89Å; F47-F71 HydrophobicContact CD2-CE1 3.89Å; F47-F71 HydrophobicContact CD2-CZ 4.33Å; F47-F71 HydrophobicContact CE1-CE1 4.42Å; F47-F71 HydrophobicContact CE1-CZ 4.24Å; F47-F71 HydrophobicContact CE2-CE1 4.1Å; F47-F71 HydrophobicContact CE2-CZ 4.07Å; F47-F71 AromaticContact CG-CE1 3.86Å; F47-F71 HydrophobicContact CG-CE1 3.86Å; F47-F71 HydrophobicContact CG-CZ 4.44Å; F47-F71 HydrophobicContact CZ-CE1 4.4Å; F47-F71 HydrophobicContact CZ-CZ 4.06Å; F47-C82 HydrophobicContact CD1-CB 4.21Å; F47-C82 VanDerWaalsContact CD1-SG 3.5Å; F47-C82 HydrophobicContact CE1-CB 4.38Å; F47-L85 HydrophobicContact CD1-CD1 4.48Å; F47-L85 HydrophobicContact CE1-CB 4Å; F47-L85 HydrophobicContact CE1-CD1 3.74Å; F47-L85 HydrophobicContact CZ-CB 4.29Å; F47-V86 HydrophobicContact CE2-CG1 4.12Å; F47-V86 HydrophobicContact CZ-CG1 3.61Å
48L95.4Very high93.3Very high31 Ų3145.8 Ų45.816%0.16223%0.231CC..Hα-helixtrans-72.3-44.1178.7-68.5178.1000112S44 T45 R54 T78 R81 C82 L85S44-L48 WeakPolarHBondContact O-CG 3.24Å; S44-L48 PolarHBondContact O-N 3.28Å; T45-L48 PolarHBondContact O-N 2.91Å; L48-R54 PolarHBondContact O-NH2 3.4Å; L48-T78 HydrophobicContact CD1-CG2 4Å; L48-R81 HydrophobicContact CD1-CB 4.21Å; L48-R81 HydrophobicContact CD2-CB 4.07Å; L48-C82 VanDerWaalsContact CG-SG 3.56Å; L48-L85 HydrophobicContact CD2-CD1 3.88Å
49I94.3Very high92.9Very high134 Ų13447.8 Ų47.869%0.68724%0.241SC*.Hα-helixtrans-87.9-23.6-17172.1-173.5000114.1T45T45-I49 HydrophobicContact CG2-CD1 4.34Å; T45-I49 VanDerWaalsContact O-CG1 3.32Å; T45-I49 WeakPolarHBondContact O-CG1 3.09Å; T45-I49 PolarHBondContact O-N 3.04Å; T45-I49 VanDerWaalsContact O-N 3.09Å
50N92.5Very high92.6Very high76 Ų7650.4 Ų50.441%0.40625%0.252SS..  trans-121.898.4-172-173.1-28.4000111.4A46 K52 Y53 R54A46-N50 VanDerWaalsContact O-CB 3.29Å; A46-N50 WeakPolarHBondContact O-CB 3.5Å; A46-N50 PolarHBondContact O-N 2.99Å; N50-K52 PolarHBondContact O-N 3.44Å; N50-K52 WeakPolarHBondContact OD1-CA 3.49Å; N50-K52 WeakPolarHBondContact OD1-CB 3.39Å; N50-K52 PolarHBondContact OD1-N 3.07Å; N50-Y53 WeakPolarHBondContact O-CB 3.37Å; N50-Y53 PolarHBondContact O-N 3.11Å; N50-Y53 PolarHBondContact OD1-N 2.96Å; N50-R54 PolarHBondContact O-N 3.33Å
51M91.5Very high92.4Very high128 Ų12850.2 Ų50.263%0.63125%0.253SS*.Hα-helixtrans-55.1-36.7177.1-67.6-172.4-75.700113.1R54 R55M51-R54 PolarHBondContact O-N 3.18Å; M51-R55 WeakPolarHBondContact O-CB 3.28Å; M51-R55 WeakPolarHBondContact O-CG 3.42Å; M51-R55 PolarHBondContact O-N 3.5Å
52K88.2Confident92.3Very high108 Ų10853.7 Ų53.747%0.4728%0.279SS..Hα-helixtrans-67.4-39.2178.6-178.1179.9177.9179.70111.3N50 S56 R433N50-K52 PolarHBondContact O-N 3.44Å; N50-K52 WeakPolarHBondContact OD1-CA 3.49Å; N50-K52 WeakPolarHBondContact OD1-CB 3.39Å; N50-K52 PolarHBondContact OD1-N 3.07Å; K52-S56 PolarHBondContact O-N 3.16Å; K52-S56 PolarHBondContact O-OG 3.08Å; K52-R433 PolarHBondContact O-NH1 3.23Å
53Y89.5Confident92.2Very high65 Ų6558.7 Ų58.726%0.25530%0.303SS..Hα-helixtrans-64.8-51.3175175.8-101.6000110.4I42 N43 A46 F47 N50 R55 S56 C57I42-Y53 HydrophobicContact CG2-CE1 3.89Å; N43-Y53 HydrophobicContact CB-CE1 4.47Å; N43-Y53 PolarHBondContact N-OH 3.41Å; A46-Y53 VanDerWaalsContact C-CD1 3.43Å; A46-Y53 HydrophobicContact CB-CD1 3.63Å; A46-Y53 HydrophobicContact CB-CE1 3.66Å; A46-Y53 HydrophobicContact CB-CG 4.13Å; F47-Y53 HydrophobicContact CB-CD1 4.34Å; F47-Y53 HydrophobicContact CB-CE1 4.2Å; N50-Y53 WeakPolarHBondContact O-CB 3.37Å; N50-Y53 PolarHBondContact O-N 3.11Å; N50-Y53 PolarHBondContact OD1-N 2.96Å; Y53-R55 VanDerWaalsContact C-N 3.33Å; Y53-R55 PolarHBondContact O-N 3.14Å; Y53-S56 WeakPolarHBondContact CA-OG 3.37Å; Y53-S56 PolarHBondContact O-N 3.49Å; Y53-S56 PolarHBondContact O-OG 3.29Å; Y53-C57 PolarHBondContact O-N 2.84Å; Y53-C57 PolarHBondContact O-SG 3.23Å
54R92.5Very high92.2Very high61 Ų6156.7 Ų56.723%0.2329%0.292CS..Hα-helixtrans-48.3-52.7175.2-178.6180-52.71697.1111.9F47 L48 N50 M51 S56 C57 L58F47-R54 HydrophobicContact CD2-CB 4.13Å; F47-R54 HydrophobicContact CD2-CG 3.87Å; F47-R54 HydrophobicContact CE1-CG 4.32Å; F47-R54 HydrophobicContact CE2-CB 4.31Å; F47-R54 HydrophobicContact CE2-CG 3.55Å; F47-R54 HydrophobicContact CG-CG 4.43Å; F47-R54 HydrophobicContact CZ-CG 3.77Å; F47-R54 PolarHBondContact O-NE 3.5Å; F47-R54 PolarHBondContact O-NH2 2.93Å; L48-R54 PolarHBondContact O-NH2 3.4Å; N50-R54 PolarHBondContact O-N 3.33Å; M51-R54 PolarHBondContact O-N 3.18Å; R54-S56 VanDerWaalsContact C-N 3.28Å; R54-S56 PolarHBondContact O-N 3.38Å; R54-C57 PolarHBondContact O-N 3.05Å; R54-C57 PolarHBondContact O-SG 3.42Å; R54-C57 VanDerWaalsContact O-SG 3.37Å; R54-L58 HydrophobicContact CG-CD1 3.98Å; R54-L58 WeakPolarHBondContact O-CB 3.31Å; R54-L58 WeakPolarHBondContact O-CG 3.41Å; R54-L58 PolarHBondContact O-N 3.1Å
55R86.3Confident92.2Very high86 Ų8661 Ų6133%0.32531%0.308SS..Hα-helixtrans-63.3-27.4178.8-72178.9-178.8175.82.9113.9M51 Y53 R433M51-R55 WeakPolarHBondContact O-CB 3.28Å; M51-R55 WeakPolarHBondContact O-CG 3.42Å; M51-R55 PolarHBondContact O-N 3.5Å; Y53-R55 VanDerWaalsContact C-N 3.33Å; Y53-R55 PolarHBondContact O-N 3.14Å; R55-R433 PolarHBondContact NH1-O 2.94Å
56S86.5Confident92.4Very high43 Ų4358.5 Ų58.530%0.30129%0.293SS..Hα-helixtrans-83.2-35.2176.229.80000114.6K52 Y53 R54 R433K52-S56 PolarHBondContact O-N 3.16Å; K52-S56 PolarHBondContact O-OG 3.08Å; Y53-S56 WeakPolarHBondContact CA-OG 3.37Å; Y53-S56 PolarHBondContact O-N 3.49Å; Y53-S56 PolarHBondContact O-OG 3.29Å; R54-S56 VanDerWaalsContact C-N 3.28Å; R54-S56 PolarHBondContact O-N 3.38Å; S56-R433 VanDerWaalsContact CB-NH1 3.31Å; S56-R433 PolarHBondContact OG-NH1 2.95Å
57C87.8Confident92.6Very high22 Ų2257.3 Ų57.315%0.14928%0.283CS..Hα-helixtrans-87-23-175.462.80000112.5I42 Y53 R54 Q59I42-C57 HydrophobicContact CD1-CB 4.28Å; I42-C57 HydrophobicContact CG1-CB 4.21Å; I42-C57 HydrophobicContact CG2-CB 4.41Å; Y53-C57 PolarHBondContact O-N 2.84Å; Y53-C57 PolarHBondContact O-SG 3.23Å; R54-C57 PolarHBondContact O-N 3.05Å; R54-C57 PolarHBondContact O-SG 3.42Å; R54-C57 VanDerWaalsContact O-SG 3.37Å; C57-Q59 PolarHBondContact O-N 3.43Å
58L87.3Confident92.7Very high21 Ų2157.3 Ų57.311%0.1128%0.283CS..  trans-89.5102.1172.6-66.3-171.2000110.8I42 F47 R54 F60 V86I42-L58 HydrophobicContact CD1-CD2 3.6Å; F47-L58 HydrophobicContact CD2-CG 4.5Å; F47-L58 HydrophobicContact CE2-CD1 3.44Å; F47-L58 VanDerWaalsContact CE2-CD1 3.44Å; F47-L58 HydrophobicContact CE2-CD2 3.73Å; F47-L58 HydrophobicContact CE2-CG 3.54Å; F47-L58 HydrophobicContact CZ-CD1 3.66Å; F47-L58 HydrophobicContact CZ-CD2 4.45Å; F47-L58 HydrophobicContact CZ-CG 4.26Å; R54-L58 HydrophobicContact CG-CD1 3.98Å; R54-L58 WeakPolarHBondContact O-CB 3.31Å; R54-L58 WeakPolarHBondContact O-CG 3.41Å; R54-L58 PolarHBondContact O-N 3.1Å; L58-F60 HydrophobicContact CB-CD2 4.41Å; L58-F60 HydrophobicContact CB-CE2 3.69Å; L58-F60 HydrophobicContact CB-CZ 4.1Å; L58-F60 HydrophobicContact CD1-CE2 4.04Å; L58-F60 HydrophobicContact CD1-CZ 4.32Å; L58-F60 HydrophobicContact CD2-CE2 4.06Å; L58-F60 HydrophobicContact CD2-CZ 3.62Å; L58-F60 HydrophobicContact CG-CE2 4.13Å; L58-F60 HydrophobicContact CG-CZ 4.21Å; L58-V86 HydrophobicContact CD1-CG1 3.97Å; L58-V86 HydrophobicContact CD2-CG1 3.83Å
59Q90.1Very high92.9Very high43 Ų4355.9 Ų55.920%0.20128%0.276CS..  trans-126.6119172.2-57-171.7-71.500108.1L23 R26 C57 P255L23-Q59 HydrophobicContact CB-CB 3.69Å; L23-Q59 HydrophobicContact CD2-CB 4.05Å; R26-Q59 PolarHBondContact NH2-O 2.94Å; C57-Q59 PolarHBondContact O-N 3.43Å; Q59-P255 PolarHBondContact NE2-O 3.33Å
60F91.6Very high93.1Very high55 Ų5549.5 Ų49.524%0.24124%0.243CC..  trans-127.8152.6-175.6-53.6-67.2000110.3L58 L67 V69 F89L58-F60 HydrophobicContact CB-CD2 4.41Å; L58-F60 HydrophobicContact CB-CE2 3.69Å; L58-F60 HydrophobicContact CB-CZ 4.1Å; L58-F60 HydrophobicContact CD1-CE2 4.04Å; L58-F60 HydrophobicContact CD1-CZ 4.32Å; L58-F60 HydrophobicContact CD2-CE2 4.06Å; L58-F60 HydrophobicContact CD2-CZ 3.62Å; L58-F60 HydrophobicContact CG-CE2 4.13Å; L58-F60 HydrophobicContact CG-CZ 4.21Å; F60-L67 HydrophobicContact CD1-CD2 3.43Å; F60-L67 VanDerWaalsContact CD1-CD2 3.43Å; F60-L67 HydrophobicContact CE1-CD2 3.75Å; F60-V69 HydrophobicContact CE1-CG2 3.82Å; F60-V69 HydrophobicContact CZ-CG2 4.21Å; F60-F89 HydrophobicContact CD1-CB 4.01Å; F60-F89 HydrophobicContact CD2-CB 3.65Å; F60-F89 HydrophobicContact CD2-CD1 4.4Å; F60-F89 AromaticContact CD2-CG 3.99Å; F60-F89 HydrophobicContact CD2-CG 3.99Å; F60-F89 HydrophobicContact CE1-CB 3.84Å; F60-F89 HydrophobicContact CE2-CB 3.45Å; F60-F89 VanDerWaalsContact CE2-CB 3.45Å; F60-F89 HydrophobicContact CE2-CD2 4.07Å; F60-F89 AromaticContact CE2-CG 3.78Å; F60-F89 HydrophobicContact CE2-CG 3.78Å; F60-F89 HydrophobicContact CG-CB 3.89Å; F60-F89 HydrophobicContact CZ-CB 3.52Å; F60-F89 HydrophobicContact CZ-CG 4.28Å
61A93.8Very high93.4Very high15 Ų1545.9 Ų45.912%0.12422%0.224CC..  trans-138.6152.816700000109L23 E63 D64 Y254L23-A61 HydrophobicContact CD1-CB 4.02Å; L23-A61 HydrophobicContact CD2-CB 4.2Å; A61-E63 PolarHBondContact O-N 3.29Å; A61-D64 HydrophobicContact CB-CB 4.01Å; A61-D64 WeakPolarHBondContact O-CB 3.35Å; A61-D64 PolarHBondContact O-N 3.24Å; A61-D64 VanDerWaalsContact O-N 3.17Å; A61-Y254 HydrophobicContact CB-CE1 4.08Å
62S94.4Very high93.7Very high98 Ų9839.9 Ų39.969%0.68519%0.194SC*.THydrogen-bonded Turntrans-60.9-35.517824.30000112.4D64 R65S62-D64 PolarHBondContact O-N 3.33Å; S62-R65 WeakPolarHBondContact O-CG 3.21Å
63E95.1Very high94.1Very high107 Ų10735 Ų3550%0.517%0.174SC..THydrogen-bonded Turntrans-78.5-6.3-178.6-50.372.4-141.500112.5M27 A61 R65M27-E63 HydrophobicContact CE-CB 3.97Å; A61-E63 PolarHBondContact O-N 3.29Å; E63-R65 VanDerWaalsContact C-N 3.34Å; E63-R65 PolarHBondContact O-N 2.99Å
64D97.2Very high94.5Very high0 Ų034.9 Ų34.90%018%0.178CC..SBendtrans-97.556.8-172.1178.431.5000111.3L23 R26 M27 R30 T37 A61 S62 L67L23-D64 HydrophobicContact CD1-CB 4.09Å; L23-D64 VanDerWaalsContact CD1-OD2 3.28Å; L23-D64 WeakPolarHBondContact CD1-OD2 3.46Å; R26-D64 IonicContact CZ-OD1 3.41Å; R26-D64 IonicContact CZ-OD2 2.75Å; R26-D64 IonicContact NH1-OD1 2.66Å; R26-D64 PolarHBondContact NH1-OD1 2.99Å; R26-D64 IonicContact NH1-OD2 2.78Å; R26-D64 PolarHBondContact NH1-OD2 3.43Å; R26-D64 IonicContact NH2-OD2 3.14Å; R26-D64 PolarHBondContact NH2-OD2 3.43Å; M27-D64 HydrophobicContact SD-CB 3.71Å; R30-D64 VanDerWaalsContact CZ-C 3.49Å; R30-D64 IonicContact CZ-OD1 2.66Å; R30-D64 VanDerWaalsContact CZ-OD1 3.27Å; R30-D64 IonicContact NE-OD1 2.76Å; R30-D64 PolarHBondContact NE-OD1 2.72Å; R30-D64 PolarHBondContact NH2-O 2.94Å; R30-D64 IonicContact NH2-OD1 2.62Å; R30-D64 PolarHBondContact NH2-OD1 3.35Å; T37-D64 PolarHBondContact OG1-OD1 2.98Å; T37-D64 VanDerWaalsContact OG1-OD1 3.11Å; A61-D64 HydrophobicContact CB-CB 4.01Å; A61-D64 WeakPolarHBondContact O-CB 3.35Å; A61-D64 PolarHBondContact O-N 3.24Å; A61-D64 VanDerWaalsContact O-N 3.17Å; S62-D64 PolarHBondContact O-N 3.33Å; D64-L67 VanDerWaalsContact O-CB 3.31Å; D64-L67 WeakPolarHBondContact O-CB 3.3Å
65R98Very high94.7Very high91 Ų9133.7 Ų33.734%0.34318%0.178SC..  trans-132.3146.7-175.4-62.5-71.3-171.9145.97.3111.3R30 S62 E63 P88 F89 C90 D91R30-R65 PolarHBondContact NH1-O 2.99Å; S62-R65 WeakPolarHBondContact O-CG 3.21Å; E63-R65 VanDerWaalsContact C-N 3.34Å; E63-R65 PolarHBondContact O-N 2.99Å; R65-P88 PolarHBondContact NH2-O 3.34Å; R65-F89 VanDerWaalsContact CZ-C 3.46Å; R65-F89 VanDerWaalsContact CZ-O 3.29Å; R65-F89 PolarHBondContact NH2-O 2.88Å; R65-C90 PolarHBondContact NH1-O 2.72Å; R65-D91 WeakPolarHBondContact CD-OD2 3.33Å; R65-D91 IonicContact CZ-OD2 3.54Å; R65-D91 IonicContact NE-OD2 3.7Å; R65-D91 VanDerWaalsContact NH1-CG 3.32Å; R65-D91 IonicContact NH1-OD1 2.7Å; R65-D91 PolarHBondContact NH1-OD1 3.47Å; R65-D91 IonicContact NH1-OD2 3.88Å; R65-D91 PolarHBondContact NH1-OD2 2.78Å
66P98.5Very high95.3Very high19 Ų1930.2 Ų30.212%0.12317%0.167CC..SBendcis-67.1145.5-7.830.1-37.8000112.2W7 R30 Q35 L36 D91W7-P66 HydrophobicContact CB-CB 4.37Å; W7-P66 HydrophobicContact CB-CG 4.08Å; W7-P66 HydrophobicContact CD2-CB 3.94Å; W7-P66 HydrophobicContact CD2-CG 4.35Å; W7-P66 HydrophobicContact CE3-CB 4.24Å; W7-P66 HydrophobicContact CE3-CG 4.41Å; W7-P66 HydrophobicContact CG-CB 4.01Å; W7-P66 HydrophobicContact CG-CG 4.25Å; R30-P66 PolarHBondContact NH2-O 2.91Å; Q35-P66 WeakPolarHBondContact O-CD 3.35Å; L36-P66 HydrophobicContact CD1-CB 3.91Å; L36-P66 HydrophobicContact CD1-CG 3.69Å; P66-D91 VanDerWaalsContact CA-OD2 3.27Å; P66-D91 WeakPolarHBondContact CA-OD2 3.42Å; P66-D91 HydrophobicContact CB-CB 4.13Å
67L98.5Very high95.8Very high1 Ų131.2 Ų31.21%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-127.3132.9178.716957.9000110.9T37 T39 F60 D64 C90 D91T37-L67 WeakPolarHBondContact O-CA 3.2Å; T37-L67 WeakPolarHBondContact O-CD1 3.48Å; T39-L67 HydrophobicContact CG2-CD1 3.88Å; T39-L67 HydrophobicContact CG2-CD2 4.37Å; T39-L67 HydrophobicContact CG2-CG 4.46Å; F60-L67 HydrophobicContact CD1-CD2 3.43Å; F60-L67 VanDerWaalsContact CD1-CD2 3.43Å; F60-L67 HydrophobicContact CE1-CD2 3.75Å; D64-L67 VanDerWaalsContact O-CB 3.31Å; D64-L67 WeakPolarHBondContact O-CB 3.3Å; L67-C90 HydrophobicContact CG-CB 4.46Å; L67-C90 WeakPolarHBondContact O-CB 3.39Å; L67-D91 PolarHBondContact N-OD2 3.36Å; L67-D91 PolarHBondContact O-N 3.14Å
68I98.7Very high96.3Very high0 Ų031.3 Ų31.30%017%0.169CC..EExtended strand (participates in β ladder)trans-109124.3172.8-56.3-178.7000110.5W7 L36 T37 F38 T39 A92 D94 M162W7-I68 HydrophobicContact CH2-CD1 4.01Å; W7-I68 HydrophobicContact CH2-CG1 4.3Å; W7-I68 HydrophobicContact CZ3-CD1 4.01Å; L36-I68 HydrophobicContact CD1-CD1 3.94Å; L36-I68 HydrophobicContact CD1-CG1 3.97Å; L36-I68 HydrophobicContact CD2-CD1 4.03Å; L36-I68 HydrophobicContact CG-CD1 4.38Å; T37-I68 PolarHBondContact O-N 3.03Å; F38-I68 CarbonylContact C-O 3.57Å; F38-I68 WeakPolarHBondContact CA-O 3.44Å; F38-I68 HydrophobicContact CD1-CB 3.67Å; F38-I68 HydrophobicContact CD1-CG2 3.65Å; F38-I68 HydrophobicContact CD2-CB 4.38Å; F38-I68 HydrophobicContact CE1-CB 3.67Å; F38-I68 HydrophobicContact CE1-CD1 3.94Å; F38-I68 HydrophobicContact CE1-CG1 4.37Å; F38-I68 HydrophobicContact CE1-CG2 3.42Å; F38-I68 VanDerWaalsContact CE1-CG2 3.42Å; F38-I68 HydrophobicContact CE2-CB 4.34Å; F38-I68 HydrophobicContact CE2-CD1 3.9Å; F38-I68 HydrophobicContact CE2-CG1 4.49Å; F38-I68 HydrophobicContact CG-CB 4.05Å; F38-I68 HydrophobicContact CZ-CB 4.02Å; F38-I68 HydrophobicContact CZ-CD1 3.48Å; F38-I68 VanDerWaalsContact CZ-CD1 3.48Å; F38-I68 HydrophobicContact CZ-CG1 4.25Å; F38-I68 HydrophobicContact CZ-CG2 4.11Å; T39-I68 PolarHBondContact N-O 3.48Å; I68-A92 WeakPolarHBondContact CA-O 3.4Å; I68-A92 HydrophobicContact CD1-CB 4.41Å; I68-A92 HydrophobicContact CG1-CB 4.08Å; I68-A92 HydrophobicContact CG2-CB 4.38Å; I68-D94 HydrophobicContact CG2-CB 3.58Å; I68-M162 HydrophobicContact CD1-CE 3.53Å
69V98.7Very high96.9Very high0 Ų030.3 Ų30.30%016%0.164CC..EExtended strand (participates in β ladder)trans-891171761760000109.3T39 I42 F60 F71 V86 C90 A92 V93 D94T39-V69 HydrophobicContact CG2-CB 4.28Å; T39-V69 HydrophobicContact CG2-CG1 4.39Å; T39-V69 HydrophobicContact CG2-CG2 3.75Å; I42-V69 HydrophobicContact CD1-CG1 3.95Å; F60-V69 HydrophobicContact CE1-CG2 3.82Å; F60-V69 HydrophobicContact CZ-CG2 4.21Å; V69-F71 HydrophobicContact CG1-CD2 4.14Å; V69-F71 HydrophobicContact CG1-CE2 3.62Å; V69-F71 HydrophobicContact CG1-CZ 3.95Å; V69-V86 HydrophobicContact CB-CB 4.49Å; V69-V86 HydrophobicContact CB-CG2 4.03Å; V69-V86 HydrophobicContact CG1-CB 4.3Å; V69-V86 HydrophobicContact CG1-CG1 4.25Å; V69-V86 HydrophobicContact CG1-CG2 3.95Å; V69-V86 HydrophobicContact CG2-CB 4.28Å; V69-V86 HydrophobicContact CG2-CG2 4.3Å; V69-C90 HydrophobicContact CB-CB 4.33Å; V69-C90 HydrophobicContact CG2-CB 3.52Å; V69-A92 PolarHBondContact N-O 2.75Å; V69-A92 VanDerWaalsContact N-O 3.08Å; V69-V93 WeakPolarHBondContact O-CA 3.23Å; V69-D94 PolarHBondContact O-N 3.22Å
70Q98.7Very high97.3Very high1 Ų128.4 Ų28.41%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-95.8124.8179.5-176.5175.290.100112.1P16 F38 T39 I42 D94 N96P16-Q70 HydrophobicContact CB-CB 4.17Å; P16-Q70 VanDerWaalsContact CB-OE1 3.31Å; P16-Q70 VanDerWaalsContact CG-CD 3.47Å; P16-Q70 VanDerWaalsContact CG-NE2 3.28Å; P16-Q70 VanDerWaalsContact CG-OE1 3.31Å; F38-Q70 HydrophobicContact CD1-CB 4.43Å; T39-Q70 PolarHBondContact OG1-N 3.19Å; I42-Q70 PolarHBondContact N-O 2.97Å; Q70-D94 WeakPolarHBondContact CA-O 3.37Å; Q70-D94 HydrophobicContact CB-CB 4.13Å; Q70-D94 HydrophobicContact CG-CB 4.21Å; Q70-D94 WeakPolarHBondContact CG-OD2 3.2Å; Q70-D94 PolarHBondContact NE2-OD2 3.42Å; Q70-N96 HydrophobicContact CG-CB 3.84Å; Q70-N96 PolarHBondContact OE1-ND2 3.26Å
71F98.6Very high97.6Very high0 Ų031.8 Ų31.80%017%0.166CC..EExtended strand (participates in β ladder)trans-109.2147.5171.1-75.3-72.6000111.9I42 S44 F47 V69 F79 C82 V86 V93 D94 N96I42-F71 HydrophobicContact CB-CD1 3.7Å; I42-F71 HydrophobicContact CB-CE1 3.8Å; I42-F71 HydrophobicContact CD1-CE1 4.32Å; I42-F71 HydrophobicContact CG2-CD1 3.8Å; I42-F71 HydrophobicContact CG2-CE1 3.55Å; I42-F71 CarbonylContact O-C 3.57Å; I42-F71 WeakPolarHBondContact O-CA 3.45Å; S44-F71 WeakPolarHBondContact OG-CB 3.41Å; S44-F71 WeakPolarHBondContact OG-CD1 3.13Å; F47-F71 HydrophobicContact CB-CE1 4.27Å; F47-F71 HydrophobicContact CD1-CE1 4.14Å; F47-F71 HydrophobicContact CD1-CZ 4.4Å; F47-F71 AromaticContact CD2-CE1 3.89Å; F47-F71 HydrophobicContact CD2-CE1 3.89Å; F47-F71 HydrophobicContact CD2-CZ 4.33Å; F47-F71 HydrophobicContact CE1-CE1 4.42Å; F47-F71 HydrophobicContact CE1-CZ 4.24Å; F47-F71 HydrophobicContact CE2-CE1 4.1Å; F47-F71 HydrophobicContact CE2-CZ 4.07Å; F47-F71 AromaticContact CG-CE1 3.86Å; F47-F71 HydrophobicContact CG-CE1 3.86Å; F47-F71 HydrophobicContact CG-CZ 4.44Å; F47-F71 HydrophobicContact CZ-CE1 4.4Å; F47-F71 HydrophobicContact CZ-CZ 4.06Å; V69-F71 HydrophobicContact CG1-CD2 4.14Å; V69-F71 HydrophobicContact CG1-CE2 3.62Å; V69-F71 HydrophobicContact CG1-CZ 3.95Å; F71-F79 HydrophobicContact CB-CD2 4.07Å; F71-F79 HydrophobicContact CB-CE2 3.99Å; F71-F79 HydrophobicContact CD2-CE2 4.45Å; F71-C82 HydrophobicContact CD1-CB 4.05Å; F71-C82 HydrophobicContact CD2-CB 4.15Å; F71-C82 HydrophobicContact CE1-CB 3.74Å; F71-C82 HydrophobicContact CE2-CB 3.82Å; F71-C82 HydrophobicContact CG-CB 4.26Å; F71-C82 HydrophobicContact CZ-CB 3.62Å; F71-V86 HydrophobicContact CE2-CG1 4.13Å; F71-V86 HydrophobicContact CE2-CG2 3.67Å; F71-V86 HydrophobicContact CZ-CG1 3.75Å; F71-V86 HydrophobicContact CZ-CG2 4.19Å; F71-V93 HydrophobicContact CD2-CG1 3.82Å; F71-V93 HydrophobicContact CE2-CG1 4.22Å; F71-D94 PolarHBondContact N-O 3.21Å; F71-N96 WeakPolarHBondContact O-CB 3.24Å; F71-N96 PolarHBondContact O-N 3.49Å
72C97.6Very high97.8Very high2 Ų231.1 Ų31.11%0.01416%0.16CC..EExtended strand (participates in β ladder)trans-99.9126.1153.3640000109.9M41 I42 N43 S44 N96 Y109M41-C72 HydrophobicContact CG-CB 4.11Å; M41-C72 HydrophobicContact SD-CB 3.98Å; I42-C72 PolarHBondContact O-N 2.73Å; N43-C72 VanDerWaalsContact CA-SG 3.57Å; S44-C72 VanDerWaalsContact CB-O 3.24Å; S44-C72 WeakPolarHBondContact CB-O 3.46Å; S44-C72 PolarHBondContact N-O 2.95Å; S44-C72 PolarHBondContact OG-O 3Å; C72-N96 HydrophobicContact CB-CB 4.33Å; C72-Y109 HydrophobicContact CB-CD1 4.46Å; C72-Y109 HydrophobicContact CB-CD2 3.31Å; C72-Y109 HydrophobicContact CB-CE2 3.59Å; C72-Y109 HydrophobicContact CB-CG 3.78Å; C72-Y109 WeakPolarHBondContact SG-CE2 3.42Å; C72-Y109 VanDerWaalsContact SG-CZ 3.53Å
73A97.4Very high98Very high4 Ų426.4 Ų26.43%0.03313%0.128CC..  trans-146.3165.5-179.100000109.2S44 F79 L95S44-A73 WeakPolarHBondContact OG-CB 3.37Å; A73-F79 HydrophobicContact CB-CB 3.74Å; A73-F79 HydrophobicContact CB-CD2 3.96Å; A73-F79 HydrophobicContact CB-CG 4.25Å; A73-L95 HydrophobicContact CB-CD1 4.03Å
74N96.3Very high98.2Very high64 Ų6425.8 Ų25.834%0.34212%0.123SC..SBendtrans-141.510.4178.565.3-7.1000113.1G107 H108 L113N74-G107 PolarHBondContact ND2-O 3.4Å; N74-H108 WeakPolarHBondContact CB-O 3.18Å; N74-L113 HydrophobicContact CB-CD1 4.42Å
75S97.7Very high98.2Very high35 Ų3529.4 Ų29.425%0.24514%0.142CC..SBendtrans-142.2148.1173.574.80000111.1T78 F79S75-T78 PolarHBondContact O-N 3.32Å; S75-T78 VanDerWaalsContact OG-CB 3.23Å; S75-T78 WeakPolarHBondContact OG-CB 3.2Å; S75-T78 PolarHBondContact OG-N 2.95Å; S75-T78 PolarHBondContact OG-OG1 3.39Å; S75-T78 VanDerWaalsContact OG-OG1 3.1Å; S75-F79 PolarHBondContact O-N 3.22Å; S75-F79 VanDerWaalsContact O-N 3.1Å
76P98.1Very high98.2Very high14 Ų1425 Ų259%0.09113%0.126CC..Hα-helixtrans-60.9-46.4-179.7-21.529.7000112.2T78 F79 V80 E122 I123 R126P76-T78 PolarHBondContact O-N 3.37Å; P76-F79 PolarHBondContact O-N 2.73Å; P76-V80 WeakPolarHBondContact O-CB 3.29Å; P76-V80 WeakPolarHBondContact O-CG2 3.17Å; P76-V80 PolarHBondContact O-N 2.73Å; P76-E122 HydrophobicContact CB-CG 4.48Å; P76-E122 HydrophobicContact CG-CB 4.04Å; P76-E122 HydrophobicContact CG-CG 3.57Å; P76-I123 HydrophobicContact CB-CG1 4.38Å; P76-I123 HydrophobicContact CG-CG1 3.82Å; P76-R126 HydrophobicContact CB-CB 4.24Å
77D98.3Very high98.1Very high64 Ų6426.1 Ų26.134%0.34213%0.129SC..Hα-helixtrans-57.2-48.7-179.6-179.672.5000111.9R81D77-R81 VanDerWaalsContact CG-CD 3.5Å; D77-R81 VanDerWaalsContact O-CB 3.29Å; D77-R81 WeakPolarHBondContact O-CB 3.38Å; D77-R81 WeakPolarHBondContact O-CD 3.36Å; D77-R81 WeakPolarHBondContact O-CG 3.41Å; D77-R81 PolarHBondContact O-N 3.24Å; D77-R81 WeakPolarHBondContact OD1-CD 3.43Å; D77-R81 WeakPolarHBondContact OD2-CD 3.49Å; D77-R81 IonicContact OD2-CZ 2.67Å; D77-R81 IonicContact OD2-NE 2.94Å; D77-R81 IonicContact OD2-NH1 2.56Å; D77-R81 PolarHBondContact OD2-NH1 3.04Å
78T98.2Very high98Very high23 Ų2330 Ų3014%0.14115%0.154CC..Hα-helixtrans-65.8-43.4-178-67.80000111.4S44 L48 S75 P76 C82S44-T78 VanDerWaalsContact CB-CG2 3.45Å; L48-T78 HydrophobicContact CD1-CG2 4Å; S75-T78 PolarHBondContact O-N 3.32Å; S75-T78 VanDerWaalsContact OG-CB 3.23Å; S75-T78 WeakPolarHBondContact OG-CB 3.2Å; S75-T78 PolarHBondContact OG-N 2.95Å; S75-T78 PolarHBondContact OG-OG1 3.39Å; S75-T78 VanDerWaalsContact OG-OG1 3.1Å; P76-T78 PolarHBondContact O-N 3.37Å; T78-C82 WeakPolarHBondContact O-CB 3.09Å; T78-C82 PolarHBondContact O-N 3.31Å; T78-C82 VanDerWaalsContact O-N 3.15Å; T78-C82 PolarHBondContact O-SG 3.3Å; T78-C82 VanDerWaalsContact O-SG 3.34Å
79F98.7Very high97.9Very high0 Ų032.6 Ų32.60%017%0.166CC..Hα-helixtrans-65.6-48.8179.3-176.2-117.9000111.7F71 A73 S75 P76 R81 C82 A83 V93 L95 I123 A127 V135F71-F79 HydrophobicContact CB-CD2 4.07Å; F71-F79 HydrophobicContact CB-CE2 3.99Å; F71-F79 HydrophobicContact CD2-CE2 4.45Å; A73-F79 HydrophobicContact CB-CB 3.74Å; A73-F79 HydrophobicContact CB-CD2 3.96Å; A73-F79 HydrophobicContact CB-CG 4.25Å; S75-F79 PolarHBondContact O-N 3.22Å; S75-F79 VanDerWaalsContact O-N 3.1Å; P76-F79 PolarHBondContact O-N 2.73Å; F79-R81 PolarHBondContact O-N 2.94Å; F79-C82 WeakPolarHBondContact O-CB 3.35Å; F79-C82 PolarHBondContact O-N 3.12Å; F79-A83 VanDerWaalsContact O-CB 3.28Å; F79-A83 WeakPolarHBondContact O-CB 3.47Å; F79-A83 PolarHBondContact O-N 3.04Å; F79-V93 HydrophobicContact CE2-CG1 4Å; F79-V93 HydrophobicContact CZ-CG1 3.9Å; F79-L95 HydrophobicContact CD2-CD1 3.85Å; F79-L95 HydrophobicContact CE1-CB 4.45Å; F79-L95 HydrophobicContact CE2-CB 3.98Å; F79-L95 HydrophobicContact CE2-CD1 3.88Å; F79-L95 HydrophobicContact CG-CD1 4.38Å; F79-L95 HydrophobicContact CZ-CB 3.83Å; F79-L95 HydrophobicContact CZ-CD1 4.44Å; F79-I123 HydrophobicContact CB-CG2 3.98Å; F79-I123 HydrophobicContact CD1-CG2 3.59Å; F79-I123 HydrophobicContact CE1-CG2 4.33Å; F79-I123 HydrophobicContact CG-CG2 3.95Å; F79-A127 HydrophobicContact CD1-CB 3.69Å; F79-A127 HydrophobicContact CE1-CB 3.56Å; F79-V135 HydrophobicContact CE1-CG1 4.05Å; F79-V135 HydrophobicContact CZ-CG1 4.29Å
80V98.8Very high97.9Very high3 Ų332.8 Ų32.82%0.01817%0.167CC..Hα-helixtrans-61.9-43.9-179.6172.30000111.7P76 C82 A83 K84 R126 A127 E130P76-V80 WeakPolarHBondContact O-CB 3.29Å; P76-V80 WeakPolarHBondContact O-CG2 3.17Å; P76-V80 PolarHBondContact O-N 2.73Å; V80-C82 PolarHBondContact O-N 3.38Å; V80-A83 PolarHBondContact O-N 3.06Å; V80-K84 HydrophobicContact CG1-CD 4.09Å; V80-K84 HydrophobicContact CG1-CG 4.42Å; V80-K84 WeakPolarHBondContact O-CB 3.46Å; V80-K84 WeakPolarHBondContact O-CG 3.28Å; V80-K84 PolarHBondContact O-N 3.28Å; V80-R126 HydrophobicContact CG2-CB 4.35Å; V80-R126 HydrophobicContact CG2-CG 4.02Å; V80-A127 HydrophobicContact CG2-CB 4.09Å; V80-E130 HydrophobicContact CG1-CB 4.06Å; V80-E130 WeakPolarHBondContact CG1-OE2 3.28Å
81R98.5Very high97.8Very high127 Ų12734.7 Ų34.748%0.47918%0.177SC..Hα-helixtrans-63.5-42.2178-72.9169.263.2-167.31.9112.3L48 D77 F79 L85L48-R81 HydrophobicContact CD1-CB 4.21Å; L48-R81 HydrophobicContact CD2-CB 4.07Å; D77-R81 VanDerWaalsContact CG-CD 3.5Å; D77-R81 VanDerWaalsContact O-CB 3.29Å; D77-R81 WeakPolarHBondContact O-CB 3.38Å; D77-R81 WeakPolarHBondContact O-CD 3.36Å; D77-R81 WeakPolarHBondContact O-CG 3.41Å; D77-R81 PolarHBondContact O-N 3.24Å; D77-R81 WeakPolarHBondContact OD1-CD 3.43Å; D77-R81 WeakPolarHBondContact OD2-CD 3.49Å; D77-R81 IonicContact OD2-CZ 2.67Å; D77-R81 IonicContact OD2-NE 2.94Å; D77-R81 IonicContact OD2-NH1 2.56Å; D77-R81 PolarHBondContact OD2-NH1 3.04Å; F79-R81 PolarHBondContact O-N 2.94Å; R81-L85 WeakPolarHBondContact O-CG 3.38Å; R81-L85 PolarHBondContact O-N 3.03Å
82C98.5Very high97.8Very high0 Ų034.7 Ų34.70%018%0.177CC..Hα-helixtrans-61.1-47172.6-78.50000111.8S44 F47 L48 F71 T78 F79 V80 L85 V86S44-C82 VanDerWaalsContact CB-SG 3.53Å; S44-C82 PolarHBondContact O-SG 3.28Å; S44-C82 VanDerWaalsContact O-SG 3.38Å; F47-C82 HydrophobicContact CD1-CB 4.21Å; F47-C82 VanDerWaalsContact CD1-SG 3.5Å; F47-C82 HydrophobicContact CE1-CB 4.38Å; L48-C82 VanDerWaalsContact CG-SG 3.56Å; F71-C82 HydrophobicContact CD1-CB 4.05Å; F71-C82 HydrophobicContact CD2-CB 4.15Å; F71-C82 HydrophobicContact CE1-CB 3.74Å; F71-C82 HydrophobicContact CE2-CB 3.82Å; F71-C82 HydrophobicContact CG-CB 4.26Å; F71-C82 HydrophobicContact CZ-CB 3.62Å; T78-C82 WeakPolarHBondContact O-CB 3.09Å; T78-C82 PolarHBondContact O-N 3.31Å; T78-C82 VanDerWaalsContact O-N 3.15Å; T78-C82 PolarHBondContact O-SG 3.3Å; T78-C82 VanDerWaalsContact O-SG 3.34Å; F79-C82 WeakPolarHBondContact O-CB 3.35Å; F79-C82 PolarHBondContact O-N 3.12Å; V80-C82 PolarHBondContact O-N 3.38Å; C82-L85 WeakPolarHBondContact O-CB 3.3Å; C82-L85 PolarHBondContact O-N 2.81Å; C82-V86 PolarHBondContact O-N 3.4Å
83A98.6Very high97.9Very high0 Ų034.6 Ų34.60%018%0.177CC..Hα-helixtrans-62.9-43.2-177.600000112.2F79 V80 L85 V86 Q87 V93 L131F79-A83 VanDerWaalsContact O-CB 3.28Å; F79-A83 WeakPolarHBondContact O-CB 3.47Å; F79-A83 PolarHBondContact O-N 3.04Å; V80-A83 PolarHBondContact O-N 3.06Å; A83-L85 VanDerWaalsContact C-N 3.26Å; A83-L85 PolarHBondContact O-N 2.95Å; A83-V86 WeakPolarHBondContact O-CG2 3.27Å; A83-V86 PolarHBondContact O-N 2.91Å; A83-V86 VanDerWaalsContact O-N 3.11Å; A83-Q87 WeakPolarHBondContact O-CB 3.41Å; A83-Q87 PolarHBondContact O-N 2.9Å; A83-V93 HydrophobicContact CB-CB 4.31Å; A83-V93 HydrophobicContact CB-CG1 3.89Å; A83-V93 HydrophobicContact CB-CG2 4.1Å; A83-L131 HydrophobicContact CB-CD1 3.44Å; A83-L131 VanDerWaalsContact CB-CD1 3.44Å; A83-L131 HydrophobicContact CB-CD2 3.59Å; A83-L131 HydrophobicContact CB-CG 4.15Å
84K98.5Very high98Very high94 Ų9434.4 Ų34.441%0.40918%0.175SC..Hα-helixtrans-58.6-36.2174.7-78.1179.1169.1171.70112.8V80 V86 E130 L131V80-K84 HydrophobicContact CG1-CD 4.09Å; V80-K84 HydrophobicContact CG1-CG 4.42Å; V80-K84 WeakPolarHBondContact O-CB 3.46Å; V80-K84 WeakPolarHBondContact O-CG 3.28Å; V80-K84 PolarHBondContact O-N 3.28Å; K84-V86 VanDerWaalsContact C-N 3.35Å; K84-E130 WeakPolarHBondContact CE-O 3.29Å; K84-E130 IonicContact NZ-OE2 3.43Å; K84-E130 PolarHBondContact NZ-OE2 2.91Å; K84-L131 HydrophobicContact CG-CD2 3.72Å
85L97.4Very high98.1Very high75 Ų7531.4 Ų31.439%0.39316%0.159SC..Hα-helixtrans-71.9-25.5178-71.1169.1000113.5F47 L48 R81 C82 A83F47-L85 HydrophobicContact CD1-CD1 4.48Å; F47-L85 HydrophobicContact CE1-CB 4Å; F47-L85 HydrophobicContact CE1-CD1 3.74Å; F47-L85 HydrophobicContact CZ-CB 4.29Å; L48-L85 HydrophobicContact CD2-CD1 3.88Å; R81-L85 WeakPolarHBondContact O-CG 3.38Å; R81-L85 PolarHBondContact O-N 3.03Å; C82-L85 WeakPolarHBondContact O-CB 3.3Å; C82-L85 PolarHBondContact O-N 2.81Å; A83-L85 VanDerWaalsContact C-N 3.26Å; A83-L85 PolarHBondContact O-N 2.95Å
86V97.5Very high98.1Very high0 Ų030.2 Ų30.20%015%0.15CC..Hα-helixtrans-103.8-19.1-178.2-57.60000114.2F47 L58 V69 F71 C82 A83 K84 P88 F89 C90 V93F47-V86 HydrophobicContact CE2-CG1 4.12Å; F47-V86 HydrophobicContact CZ-CG1 3.61Å; L58-V86 HydrophobicContact CD1-CG1 3.97Å; L58-V86 HydrophobicContact CD2-CG1 3.83Å; V69-V86 HydrophobicContact CB-CB 4.49Å; V69-V86 HydrophobicContact CB-CG2 4.03Å; V69-V86 HydrophobicContact CG1-CB 4.3Å; V69-V86 HydrophobicContact CG1-CG1 4.25Å; V69-V86 HydrophobicContact CG1-CG2 3.95Å; V69-V86 HydrophobicContact CG2-CB 4.28Å; V69-V86 HydrophobicContact CG2-CG2 4.3Å; F71-V86 HydrophobicContact CE2-CG1 4.13Å; F71-V86 HydrophobicContact CE2-CG2 3.67Å; F71-V86 HydrophobicContact CZ-CG1 3.75Å; F71-V86 HydrophobicContact CZ-CG2 4.19Å; C82-V86 PolarHBondContact O-N 3.4Å; A83-V86 WeakPolarHBondContact O-CG2 3.27Å; A83-V86 PolarHBondContact O-N 2.91Å; A83-V86 VanDerWaalsContact O-N 3.11Å; K84-V86 VanDerWaalsContact C-N 3.35Å; V86-P88 VanDerWaalsContact C-N 3.27Å; V86-P88 VanDerWaalsContact O-N 3.1Å; V86-F89 WeakPolarHBondContact O-CA 3.4Å; V86-F89 PolarHBondContact O-N 2.95Å; V86-C90 PolarHBondContact O-N 3.06Å; V86-C90 PolarHBondContact O-SG 3.05Å; V86-C90 VanDerWaalsContact O-SG 3.35Å; V86-V93 HydrophobicContact CG2-CG2 3.87Å
87Q97.7Very high98.2Very high41 Ų4129.5 Ų29.519%0.19215%0.146CC..G310 helixtrans-41.5-44.6179.8150.7178.1-86.500114.2A83 F89 N132 V133A83-Q87 WeakPolarHBondContact O-CB 3.41Å; A83-Q87 PolarHBondContact O-N 2.9Å; Q87-F89 PolarHBondContact O-N 2.74Å; Q87-N132 VanDerWaalsContact OE1-CB 3.31Å; Q87-V133 HydrophobicContact CB-CG2 4.05Å; Q87-V133 HydrophobicContact CG-CG1 4.16Å; Q87-V133 HydrophobicContact CG-CG2 4.25Å
88P96Very high98Very high83 Ų8326.8 Ų26.854%0.53913%0.133SC..G310 helixtrans-64.5-19.6179.1-23.835.7000114.4R65 V86R65-P88 PolarHBondContact NH2-O 3.34Å; V86-P88 VanDerWaalsContact C-N 3.27Å; V86-P88 VanDerWaalsContact O-N 3.1Å
89F96Very high97.9Very high54 Ų5426.6 Ų26.624%0.23713%0.132CC..G310 helixtrans-110.21.2-169.3-48.2-71.7000113.8F60 R65 V86 Q87 L440F60-F89 HydrophobicContact CD1-CB 4.01Å; F60-F89 HydrophobicContact CD2-CB 3.65Å; F60-F89 HydrophobicContact CD2-CD1 4.4Å; F60-F89 AromaticContact CD2-CG 3.99Å; F60-F89 HydrophobicContact CD2-CG 3.99Å; F60-F89 HydrophobicContact CE1-CB 3.84Å; F60-F89 HydrophobicContact CE2-CB 3.45Å; F60-F89 VanDerWaalsContact CE2-CB 3.45Å; F60-F89 HydrophobicContact CE2-CD2 4.07Å; F60-F89 AromaticContact CE2-CG 3.78Å; F60-F89 HydrophobicContact CE2-CG 3.78Å; F60-F89 HydrophobicContact CG-CB 3.89Å; F60-F89 HydrophobicContact CZ-CB 3.52Å; F60-F89 HydrophobicContact CZ-CG 4.28Å; R65-F89 VanDerWaalsContact CZ-C 3.46Å; R65-F89 VanDerWaalsContact CZ-O 3.29Å; R65-F89 PolarHBondContact NH2-O 2.88Å; V86-F89 WeakPolarHBondContact O-CA 3.4Å; V86-F89 PolarHBondContact O-N 2.95Å; Q87-F89 PolarHBondContact O-N 2.74Å; F89-L440 HydrophobicContact CE1-CD2 4.11Å; F89-L440 HydrophobicContact CE2-CD2 3.6Å; F89-L440 HydrophobicContact CZ-CD2 3.23Å
90C97.8Very high97.8Very high5 Ų526.8 Ų26.83%0.03413%0.133CC..  trans-139.5168.6-179.5640000111.7R65 L67 V69 V86 A92R65-C90 PolarHBondContact NH1-O 2.72Å; L67-C90 HydrophobicContact CG-CB 4.46Å; L67-C90 WeakPolarHBondContact O-CB 3.39Å; V69-C90 HydrophobicContact CB-CB 4.33Å; V69-C90 HydrophobicContact CG2-CB 3.52Å; V86-C90 PolarHBondContact O-N 3.06Å; V86-C90 PolarHBondContact O-SG 3.05Å; V86-C90 VanDerWaalsContact O-SG 3.35Å; C90-A92 PolarHBondContact SG-O 3.47Å
91D98.4Very high97.5Very high41 Ų4131.6 Ų31.622%0.21916%0.156CC..SBendtrans-101.6-19.9-178.5-53.9-88.8000111.2W7 R65 P66 L67 P134W7-D91 HydrophobicContact CZ2-CB 3.86Å; R65-D91 WeakPolarHBondContact CD-OD2 3.33Å; R65-D91 IonicContact CZ-OD2 3.54Å; R65-D91 IonicContact NE-OD2 3.7Å; R65-D91 VanDerWaalsContact NH1-CG 3.32Å; R65-D91 IonicContact NH1-OD1 2.7Å; R65-D91 PolarHBondContact NH1-OD1 3.47Å; R65-D91 IonicContact NH1-OD2 3.88Å; R65-D91 PolarHBondContact NH1-OD2 2.78Å; P66-D91 VanDerWaalsContact CA-OD2 3.27Å; P66-D91 WeakPolarHBondContact CA-OD2 3.42Å; P66-D91 HydrophobicContact CB-CB 4.13Å; L67-D91 PolarHBondContact N-OD2 3.36Å; L67-D91 PolarHBondContact O-N 3.14Å; D91-P134 WeakPolarHBondContact O-CD 3.12Å
92A98.7Very high97.2Very high0 Ų027.5 Ų27.50%015%0.153CC..EExtended strand (participates in β ladder)trans-155.6165.716700000111.2W7 I68 V69 C90 P134 T136W7-A92 HydrophobicContact CH2-CB 3.81Å; W7-A92 HydrophobicContact CZ2-CB 4.07Å; I68-A92 WeakPolarHBondContact CA-O 3.4Å; I68-A92 HydrophobicContact CD1-CB 4.41Å; I68-A92 HydrophobicContact CG1-CB 4.08Å; I68-A92 HydrophobicContact CG2-CB 4.38Å; V69-A92 PolarHBondContact N-O 2.75Å; V69-A92 VanDerWaalsContact N-O 3.08Å; C90-A92 PolarHBondContact SG-O 3.47Å; A92-P134 WeakPolarHBondContact CA-O 3.27Å; A92-P134 HydrophobicContact CB-CB 4.11Å; A92-P134 VanDerWaalsContact CB-O 3.26Å; A92-P134 WeakPolarHBondContact CB-O 3.22Å; A92-T136 HydrophobicContact CB-CG2 4.07Å
93V98.8Very high96.9Very high0 Ų031.5 Ų31.50%017%0.173CC..EExtended strand (participates in β ladder)trans-117133.1173.6-177.90000109.8V69 F71 F79 A83 V86 V133 P134 V135 T136V69-V93 WeakPolarHBondContact O-CA 3.23Å; F71-V93 HydrophobicContact CD2-CG1 3.82Å; F71-V93 HydrophobicContact CE2-CG1 4.22Å; F79-V93 HydrophobicContact CE2-CG1 4Å; F79-V93 HydrophobicContact CZ-CG1 3.9Å; A83-V93 HydrophobicContact CB-CB 4.31Å; A83-V93 HydrophobicContact CB-CG1 3.89Å; A83-V93 HydrophobicContact CB-CG2 4.1Å; V86-V93 HydrophobicContact CG2-CG2 3.87Å; V93-V133 HydrophobicContact CG2-CG2 4.01Å; V93-P134 PolarHBondContact N-O 2.83Å; V93-V135 CarbonylContact O-C 3.45Å; V93-V135 WeakPolarHBondContact O-CA 3.18Å; V93-T136 PolarHBondContact O-N 3.34Å
94D98.9Very high96.6Very high0 Ų031.5 Ų31.50%017%0.173CC..EExtended strand (participates in β ladder)trans-110.2134-177.6-172.480.1000112.4F38 I68 V69 Q70 F71 T136 C137 K138F38-D94 HydrophobicContact CD1-CB 4.36Å; F38-D94 HydrophobicContact CE1-CB 3.99Å; I68-D94 HydrophobicContact CG2-CB 3.58Å; V69-D94 PolarHBondContact O-N 3.22Å; Q70-D94 WeakPolarHBondContact CA-O 3.37Å; Q70-D94 HydrophobicContact CB-CB 4.13Å; Q70-D94 HydrophobicContact CG-CB 4.21Å; Q70-D94 WeakPolarHBondContact CG-OD2 3.2Å; Q70-D94 PolarHBondContact NE2-OD2 3.42Å; F71-D94 PolarHBondContact N-O 3.21Å; D94-T136 WeakPolarHBondContact CA-O 3.32Å; D94-T136 WeakPolarHBondContact CA-OG1 3.29Å; D94-T136 VanDerWaalsContact CB-OG1 3.24Å; D94-T136 WeakPolarHBondContact CB-OG1 3.4Å; D94-T136 PolarHBondContact OD1-OG1 3.41Å; D94-C137 VanDerWaalsContact OD1-CA 3.26Å; D94-C137 WeakPolarHBondContact OD1-CA 3.49Å; D94-C137 PolarHBondContact OD1-N 3.16Å; D94-C137 VanDerWaalsContact OD1-N 3.16Å; D94-K138 PolarHBondContact OD1-N 2.98Å; D94-K138 PolarHBondContact OD2-N 3.09Å
95L98.8Very high96.5Very high0 Ų033.8 Ų33.80%018%0.183CC..EExtended strand (participates in β ladder)trans-89.9116.8166-174.963.4000110.1A73 F79 L97 L120 I123 I124 T136 K138A73-L95 HydrophobicContact CB-CD1 4.03Å; F79-L95 HydrophobicContact CD2-CD1 3.85Å; F79-L95 HydrophobicContact CE1-CB 4.45Å; F79-L95 HydrophobicContact CE2-CB 3.98Å; F79-L95 HydrophobicContact CE2-CD1 3.88Å; F79-L95 HydrophobicContact CG-CD1 4.38Å; F79-L95 HydrophobicContact CZ-CB 3.83Å; F79-L95 HydrophobicContact CZ-CD1 4.44Å; L95-L97 HydrophobicContact CD2-CD1 4.28Å; L95-L97 HydrophobicContact CD2-CD2 3.71Å; L95-L97 HydrophobicContact CD2-CG 4.13Å; L95-L97 HydrophobicContact CG-CD2 3.82Å; L95-L97 HydrophobicContact CG-CG 4.04Å; L95-L97 PolarHBondContact O-N 2.78Å; L95-L120 HydrophobicContact CD2-CD2 4.46Å; L95-I123 HydrophobicContact CD2-CG2 3.77Å; L95-I124 HydrophobicContact CB-CD1 4.09Å; L95-I124 HydrophobicContact CD2-CD1 3.67Å; L95-I124 HydrophobicContact CD2-CG1 4.44Å; L95-T136 PolarHBondContact N-O 2.78Å; L95-K138 PolarHBondContact O-N 3.36Å
96N98.7Very high96.4Very high10 Ų1039.9 Ų39.95%0.05320%0.201CC..EExtended strand (participates in β ladder)trans-71.6112.5171.9-173.1-73.2000110.2M41 Q70 F71 C72 G98 C99 G110M41-N96 HydrophobicContact CG-CB 4.24Å; M41-N96 HydrophobicContact SD-CB 4.31Å; Q70-N96 HydrophobicContact CG-CB 3.84Å; Q70-N96 PolarHBondContact OE1-ND2 3.26Å; F71-N96 WeakPolarHBondContact O-CB 3.24Å; F71-N96 PolarHBondContact O-N 3.49Å; C72-N96 HydrophobicContact CB-CB 4.33Å; N96-G98 PolarHBondContact OD1-N 2.96Å; N96-C99 WeakPolarHBondContact OD1-CB 3.44Å; N96-C99 PolarHBondContact OD1-N 3.32Å; N96-G110 VanDerWaalsContact O-CA 3.28Å; N96-G110 WeakPolarHBondContact O-CA 3.43Å; N96-G110 PolarHBondContact O-N 3.2Å
97L98.4Very high96.2Very high0 Ų041.2 Ų41.20%022%0.215CC..EExtended strand (participates in β ladder)trans-116.116.7173.3-58.8177000111.5L95 G110 A111 L113 L120 C137 K138 I139 Y151 L155L95-L97 HydrophobicContact CD2-CD1 4.28Å; L95-L97 HydrophobicContact CD2-CD2 3.71Å; L95-L97 HydrophobicContact CD2-CG 4.13Å; L95-L97 HydrophobicContact CG-CD2 3.82Å; L95-L97 HydrophobicContact CG-CG 4.04Å; L95-L97 PolarHBondContact O-N 2.78Å; L97-G110 VanDerWaalsContact C-C 3.4Å; L97-G110 CarbonylContact O-C 3.59Å; L97-A111 WeakPolarHBondContact O-CA 3.37Å; L97-A111 PolarHBondContact O-N 3.21Å; L97-L113 HydrophobicContact CD2-CB 4.26Å; L97-L113 HydrophobicContact CD2-CD2 3.96Å; L97-L120 HydrophobicContact CD1-CD2 3.77Å; L97-L120 HydrophobicContact CD2-CD2 3.4Å; L97-L120 HydrophobicContact CG-CD2 4.24Å; L97-C137 HydrophobicContact CD1-CB 4.19Å; L97-K138 CarbonylContact C-O 3.57Å; L97-K138 VanDerWaalsContact C-O 3.32Å; L97-K138 WeakPolarHBondContact CA-O 3.47Å; L97-K138 PolarHBondContact N-O 2.81Å; L97-I139 HydrophobicContact CB-CG2 4.11Å; L97-I139 HydrophobicContact CD1-CG2 4.15Å; L97-Y151 WeakPolarHBondContact CB-OH 3.26Å; L97-Y151 WeakPolarHBondContact CD1-OH 3.33Å; L97-L155 HydrophobicContact CD1-CD1 4Å; L97-L155 HydrophobicContact CD1-CD2 3.96Å
98G95.9Very high96.2Very high7 Ų743.1 Ų43.17%0.07222%0.223CC..  trans-121.4-14.1-169.900000115.3N96 P100 K138 R140N96-G98 PolarHBondContact OD1-N 2.96Å; G98-P100 VanDerWaalsContact O-CD 3.25Å; G98-P100 WeakPolarHBondContact O-CD 3.46Å; G98-K138 PolarHBondContact N-O 2.66Å; G98-R140 VanDerWaalsContact O-CD 3.23Å; G98-R140 WeakPolarHBondContact O-CD 3.28Å; G98-R140 PolarHBondContact O-NE 2.89Å
99C96Very high96.2Very high18 Ų1839.7 Ų39.712%0.12220%0.2CC..  trans-71.8119.8-177.4-174.30000111.3M41 N96 A104 A111M41-C99 HydrophobicContact SD-CB 3.82Å; N96-C99 WeakPolarHBondContact OD1-CB 3.44Å; N96-C99 PolarHBondContact OD1-N 3.32Å; C99-A104 HydrophobicContact CB-CB 4.21Å; C99-A104 WeakPolarHBondContact O-CB 3.5Å; C99-A111 PolarHBondContact O-N 3.46Å
100P95.9Very high96.3Very high5 Ų537.1 Ų37.13%0.03219%0.189CC..  trans-99.48.1-177.444.5-42.9000112.6G98 A111 R140 R170 K173G98-P100 VanDerWaalsContact O-CD 3.25Å; G98-P100 WeakPolarHBondContact O-CD 3.46Å; P100-A111 HydrophobicContact CB-CB 4.47Å; P100-R140 VanDerWaalsContact CG-CZ 3.46Å; P100-R170 HydrophobicContact CB-CG 4.2Å; P100-R170 VanDerWaalsContact CB-O 3.3Å; P100-R170 WeakPolarHBondContact CB-O 3.26Å; P100-K173 HydrophobicContact CB-CD 3.98Å; P100-K173 HydrophobicContact CG-CB 3.95Å; P100-K173 HydrophobicContact CG-CD 3.96Å; P100-K173 HydrophobicContact CG-CG 4.49Å; P100-K173 PolarHBondContact O-NZ 3.48Å
101Q93.4Very high96.2Very high104 Ų10436.9 Ų36.949%0.48619%0.187SC..SBendtrans-71.7158.8-170.2-62.3-59.9-17.600112I103 A104 K105Q101-I103 HydrophobicContact CB-CG2 4.13Å; Q101-I103 PolarHBondContact O-N 3.46Å; Q101-I103 VanDerWaalsContact O-N 3.16Å; Q101-A104 WeakPolarHBondContact O-CA 3.37Å; Q101-A104 WeakPolarHBondContact O-CB 3.38Å; Q101-A104 PolarHBondContact O-N 2.98Å; Q101-K105 PolarHBondContact O-N 2.87Å; Q101-K105 VanDerWaalsContact O-N 3.1Å
102G91.5Very high96.1Very high41 Ų4136.5 Ų36.542%0.42318%0.183SC..Hα-helixtrans-58.7-29.4-179.600000113.8K105 R106G102-K105 PolarHBondContact O-N 3.3Å; G102-R106 WeakPolarHBondContact O-CG 3.41Å; G102-R106 PolarHBondContact O-N 3.15Å
103I91.1Very high96Very high84 Ų8436.6 Ų36.643%0.43118%0.184SC..Hα-helixtrans-65.5-38.2173.3-16770.6000112.1Q101 R106 G107 Y109Q101-I103 HydrophobicContact CB-CG2 4.13Å; Q101-I103 PolarHBondContact O-N 3.46Å; Q101-I103 VanDerWaalsContact O-N 3.16Å; I103-R106 PolarHBondContact O-N 3.34Å; I103-G107 PolarHBondContact O-N 3.02Å; I103-Y109 WeakPolarHBondContact CG1-OH 3.36Å
104A93.9Very high95.9Very high0 Ų036.8 Ų36.80%019%0.185CC..Hα-helixtrans-69.7-36.9176.500000111.7C99 Q101 G107 H108 Y109 F112C99-A104 HydrophobicContact CB-CB 4.21Å; C99-A104 WeakPolarHBondContact O-CB 3.5Å; Q101-A104 WeakPolarHBondContact O-CA 3.37Å; Q101-A104 WeakPolarHBondContact O-CB 3.38Å; Q101-A104 PolarHBondContact O-N 2.98Å; A104-G107 PolarHBondContact O-N 3.4Å; A104-H108 WeakPolarHBondContact O-CA 3.39Å; A104-H108 PolarHBondContact O-N 3.07Å; A104-Y109 HydrophobicContact CB-CD2 3.63Å; A104-Y109 HydrophobicContact CB-CE2 3.43Å; A104-Y109 VanDerWaalsContact CB-CE2 3.43Å; A104-Y109 PolarHBondContact O-N 3.34Å; A104-Y109 VanDerWaalsContact O-N 3.08Å; A104-F112 HydrophobicContact CB-CD2 4.03Å; A104-F112 HydrophobicContact CB-CE2 4.26Å
105K95.7Very high95.8Very high141 Ų14139.5 Ų39.561%0.61320%0.199SC*.Hα-helixtrans-59.8-49.8171.7-168.9174179.7178.60111.5Q101 G102 H108 F112Q101-K105 PolarHBondContact O-N 2.87Å; Q101-K105 VanDerWaalsContact O-N 3.1Å; G102-K105 PolarHBondContact O-N 3.3Å; K105-H108 PolarHBondContact O-N 2.83Å; K105-F112 VanDerWaalsContact CA-CD2 3.41Å; K105-F112 HydrophobicContact CB-CD1 4.15Å; K105-F112 HydrophobicContact CB-CD2 3.92Å; K105-F112 HydrophobicContact CB-CE1 3.82Å; K105-F112 HydrophobicContact CB-CE2 3.56Å; K105-F112 HydrophobicContact CB-CG 4.19Å; K105-F112 HydrophobicContact CB-CZ 3.52Å; K105-F112 HydrophobicContact CD-CE1 3.86Å; K105-F112 HydrophobicContact CD-CZ 4.11Å; K105-F112 HydrophobicContact CG-CD1 3.9Å; K105-F112 HydrophobicContact CG-CE1 3.63Å; K105-F112 HydrophobicContact CG-CE2 4.33Å; K105-F112 HydrophobicContact CG-CG 4.36Å; K105-F112 HydrophobicContact CG-CZ 3.87Å; K105-F112 VanDerWaalsContact N-CD2 3.27Å
106R95.3Very high95.7Very high203 Ų20343.4 Ų43.477%0.76622%0.217SC*.Hα-helixtrans-65.8-37.8-179.1-72.9-171-59.3176.42.7112.9G102 I103 H108G102-R106 WeakPolarHBondContact O-CG 3.41Å; G102-R106 PolarHBondContact O-N 3.15Å; I103-R106 PolarHBondContact O-N 3.34Å; R106-H108 VanDerWaalsContact C-N 3.31Å
107G93.7Very high95.7Very high28 Ų2846.3 Ų46.329%0.28923%0.228SC..Hα-helixtrans-85.3-1.1177.500000114.3N74 I103 A104 Y109N74-G107 PolarHBondContact ND2-O 3.4Å; I103-G107 PolarHBondContact O-N 3.02Å; A104-G107 PolarHBondContact O-N 3.4Å; G107-Y109 WeakPolarHBondContact O-CD1 3.25Å; G107-Y109 PolarHBondContact O-N 2.72Å
108H96.8Very high95.6Very high81 Ų8152.9 Ų52.938%0.37526%0.263SS..THydrogen-bonded Turntrans4953.6-177-162.871.1000113.3N74 A104 K105 R106 F112N74-H108 WeakPolarHBondContact CB-O 3.18Å; A104-H108 WeakPolarHBondContact O-CA 3.39Å; A104-H108 PolarHBondContact O-N 3.07Å; K105-H108 PolarHBondContact O-N 2.83Å; R106-H108 VanDerWaalsContact C-N 3.31Å; H108-F112 PolarHBondContact CE1-O 3.36Å
109Y97.2Very high95.7Very high12 Ų1254.8 Ų54.85%0.04728%0.275CS..  trans-137.9-178.917659.5-109000110.3M41 C72 I103 A104 G107 F112M41-Y109 HydrophobicContact CE-CE2 4.43Å; C72-Y109 HydrophobicContact CB-CD1 4.46Å; C72-Y109 HydrophobicContact CB-CD2 3.31Å; C72-Y109 HydrophobicContact CB-CE2 3.59Å; C72-Y109 HydrophobicContact CB-CG 3.78Å; C72-Y109 WeakPolarHBondContact SG-CE2 3.42Å; C72-Y109 VanDerWaalsContact SG-CZ 3.53Å; I103-Y109 WeakPolarHBondContact CG1-OH 3.36Å; A104-Y109 HydrophobicContact CB-CD2 3.63Å; A104-Y109 HydrophobicContact CB-CE2 3.43Å; A104-Y109 VanDerWaalsContact CB-CE2 3.43Å; A104-Y109 PolarHBondContact O-N 3.34Å; A104-Y109 VanDerWaalsContact O-N 3.08Å; G107-Y109 WeakPolarHBondContact O-CD1 3.25Å; G107-Y109 PolarHBondContact O-N 2.72Å; Y109-F112 PolarHBondContact O-N 2.81Å
110G96.7Very high95.8Very high0 Ų053.9 Ų53.90%027%0.269CS..G310 helixtrans68-138.5179.100000110.7N96 L97 F112 L113N96-G110 VanDerWaalsContact O-CA 3.28Å; N96-G110 WeakPolarHBondContact O-CA 3.43Å; N96-G110 PolarHBondContact O-N 3.2Å; L97-G110 VanDerWaalsContact C-C 3.4Å; L97-G110 CarbonylContact O-C 3.59Å; G110-F112 PolarHBondContact O-N 2.98Å; G110-L113 PolarHBondContact O-N 3.35Å
111A96.6Very high95.9Very high0 Ų059.5 Ų59.50%029%0.293CS..G310 helixtrans-65.9-6.7-179.500000113.8L97 C99 P100 Q114 R170L97-A111 WeakPolarHBondContact O-CA 3.37Å; L97-A111 PolarHBondContact O-N 3.21Å; C99-A111 PolarHBondContact O-N 3.46Å; P100-A111 HydrophobicContact CB-CB 4.47Å; A111-Q114 WeakPolarHBondContact O-CG 3.41Å; A111-Q114 PolarHBondContact O-OE1 2.93Å; A111-R170 HydrophobicContact CB-CB 3.96Å; A111-R170 HydrophobicContact CB-CG 3.79Å; A111-R170 WeakPolarHBondContact O-CD 3.36Å; A111-R170 PolarHBondContact O-NH1 3.02Å
112F97.1Very high96.2Very high32 Ų3260 Ų6014%0.1430%0.295CS..G310 helixtrans-90.4-6175.4-61.6-83000113.2A104 K105 H108 Y109 G110 R170A104-F112 HydrophobicContact CB-CD2 4.03Å; A104-F112 HydrophobicContact CB-CE2 4.26Å; K105-F112 VanDerWaalsContact CA-CD2 3.41Å; K105-F112 HydrophobicContact CB-CD1 4.15Å; K105-F112 HydrophobicContact CB-CD2 3.92Å; K105-F112 HydrophobicContact CB-CE1 3.82Å; K105-F112 HydrophobicContact CB-CE2 3.56Å; K105-F112 HydrophobicContact CB-CG 4.19Å; K105-F112 HydrophobicContact CB-CZ 3.52Å; K105-F112 HydrophobicContact CD-CE1 3.86Å; K105-F112 HydrophobicContact CD-CZ 4.11Å; K105-F112 HydrophobicContact CG-CD1 3.9Å; K105-F112 HydrophobicContact CG-CE1 3.63Å; K105-F112 HydrophobicContact CG-CE2 4.33Å; K105-F112 HydrophobicContact CG-CG 4.36Å; K105-F112 HydrophobicContact CG-CZ 3.87Å; K105-F112 VanDerWaalsContact N-CD2 3.27Å; H108-F112 PolarHBondContact CE1-O 3.36Å; Y109-F112 PolarHBondContact O-N 2.81Å; G110-F112 PolarHBondContact O-N 2.98Å; F112-R170 HydrophobicContact CZ-CG 4.44Å
113L96.4Very high96.5Very high3 Ų358 Ų582%0.01628%0.275CS..SBendtrans-96.8-10.5171.9-161.667.2000112N74 L97 G110 D115 E116 L120 I123N74-L113 HydrophobicContact CB-CD1 4.42Å; L97-L113 HydrophobicContact CD2-CB 4.26Å; L97-L113 HydrophobicContact CD2-CD2 3.96Å; G110-L113 PolarHBondContact O-N 3.35Å; L113-D115 PolarHBondContact O-N 2.75Å; L113-D115 VanDerWaalsContact O-N 3.1Å; L113-E116 HydrophobicContact CD1-CB 4.02Å; L113-E116 HydrophobicContact CD1-CG 4.11Å; L113-E116 HydrophobicContact CG-CB 4.49Å; L113-E116 PolarHBondContact O-N 2.87Å; L113-L120 HydrophobicContact CB-CD2 4.42Å; L113-L120 HydrophobicContact CD2-CD2 3.62Å; L113-L120 HydrophobicContact CG-CD2 3.73Å; L113-L120 HydrophobicContact CG-CG 4.23Å; L113-L120 VanDerWaalsContact O-CD1 3.27Å; L113-L120 WeakPolarHBondContact O-CD1 3.33Å; L113-I123 HydrophobicContact CD2-CD1 3.91Å
114Q96Very high96.9Very high4 Ų454 Ų542%0.01925%0.254CS..THydrogen-bonded Turntrans-60.2-24.2-17576.8-174.318.600113.8A111 W117 F142 Y151A111-Q114 WeakPolarHBondContact O-CG 3.41Å; A111-Q114 PolarHBondContact O-OE1 2.93Å; Q114-W117 VanDerWaalsContact O-CD1 3.3Å; Q114-W117 PolarHBondContact O-NE1 3.18Å; Q114-W117 VanDerWaalsContact O-NE1 3.16Å; Q114-F142 HydrophobicContact CB-CZ 4.1Å; Q114-F142 HydrophobicContact CG-CE1 3.84Å; Q114-F142 HydrophobicContact CG-CZ 3.79Å; Q114-Y151 HydrophobicContact CB-CE1 4.39Å
115D95.8Very high97.1Very high56 Ų5656.1 Ų56.130%0.29927%0.269SS..THydrogen-bonded Turntrans-87.6-10.9180-62.4-70000112L113 W117 R147 R170L113-D115 PolarHBondContact O-N 2.75Å; L113-D115 VanDerWaalsContact O-N 3.1Å; D115-W117 PolarHBondContact O-N 3.21Å; D115-R147 IonicContact OD1-CZ 2.94Å; D115-R147 IonicContact OD1-NH1 3.84Å; D115-R147 IonicContact OD1-NH2 2.69Å; D115-R147 PolarHBondContact OD1-NH2 3.3Å; D115-R170 IonicContact OD2-CZ 3.89Å; D115-R170 IonicContact OD2-NH1 3.82Å; D115-R170 PolarHBondContact OD2-NH1 2.78Å; D115-R170 IonicContact OD2-NH2 2.75Å
116E97.3Very high97.3Very high82 Ų8253.7 Ų53.738%0.38326%0.256SS..  trans-98.564.1-172.3-55.6-58.215400112.2L113 N118 S119 L120L113-E116 HydrophobicContact CD1-CB 4.02Å; L113-E116 HydrophobicContact CD1-CG 4.11Å; L113-E116 HydrophobicContact CG-CB 4.49Å; L113-E116 PolarHBondContact O-N 2.87Å; E116-N118 VanDerWaalsContact C-N 3.34Å; E116-N118 PolarHBondContact O-N 2.87Å; E116-S119 PolarHBondContact O-N 3.17Å; E116-S119 VanDerWaalsContact O-N 3.16Å; E116-L120 WeakPolarHBondContact O-CG 3.23Å; E116-L120 PolarHBondContact O-N 3.16Å
117W98.1Very high97.4Very high72 Ų7244 Ų4427%0.27322%0.22SC..Hα-helixtrans-59.5-37.3-167.8-72.311.7000114.8Q114 D115 L120 K121 R147 Q150 L154Q114-W117 VanDerWaalsContact O-CD1 3.3Å; Q114-W117 PolarHBondContact O-NE1 3.18Å; Q114-W117 VanDerWaalsContact O-NE1 3.16Å; D115-W117 PolarHBondContact O-N 3.21Å; W117-L120 PolarHBondContact O-N 2.94Å; W117-K121 WeakPolarHBondContact O-CB 3.39Å; W117-K121 PolarHBondContact O-N 2.87Å; W117-R147 HydrophobicContact CZ2-CG 4.06Å; W117-Q150 HydrophobicContact CH2-CB 3.94Å; W117-L154 HydrophobicContact CB-CD1 3.74Å; W117-L154 HydrophobicContact CD2-CD1 4.03Å; W117-L154 HydrophobicContact CE3-CD1 3.9Å; W117-L154 HydrophobicContact CG-CD1 4Å
118N98.1Very high97.7Very high137 Ų13744.8 Ų44.873%0.73322%0.221SC*.Hα-helixtrans-66.2-45.8177-71.9-28.7000111.6E116 L120 K121 E122E116-N118 VanDerWaalsContact C-N 3.34Å; E116-N118 PolarHBondContact O-N 2.87Å; N118-L120 VanDerWaalsContact C-N 3.32Å; N118-L120 PolarHBondContact O-N 2.83Å; N118-K121 PolarHBondContact O-N 3.47Å; N118-E122 PolarHBondContact O-N 2.8Å
119S97.6Very high97.7Very high47 Ų4747.6 Ų47.633%0.32924%0.238SC..Hα-helixtrans-63.4-39.9177.3-56.90000111.6E116 E122 I123E116-S119 PolarHBondContact O-N 3.17Å; E116-S119 VanDerWaalsContact O-N 3.16Å; S119-E122 PolarHBondContact O-N 3.08Å; S119-I123 WeakPolarHBondContact O-CD1 3.21Å; S119-I123 WeakPolarHBondContact O-CG1 3.25Å; S119-I123 PolarHBondContact O-N 2.84Å
120L98.4Very high97.8Very high0 Ų050.3 Ų50.30%025%0.251CS..Hα-helixtrans-61.8-46175.5-70.6169.6000112.1L95 L97 L113 E116 W117 N118 E122 I123 I124 Y151 L154 L155L95-L120 HydrophobicContact CD2-CD2 4.46Å; L97-L120 HydrophobicContact CD1-CD2 3.77Å; L97-L120 HydrophobicContact CD2-CD2 3.4Å; L97-L120 HydrophobicContact CG-CD2 4.24Å; L113-L120 HydrophobicContact CB-CD2 4.42Å; L113-L120 HydrophobicContact CD2-CD2 3.62Å; L113-L120 HydrophobicContact CG-CD2 3.73Å; L113-L120 HydrophobicContact CG-CG 4.23Å; L113-L120 VanDerWaalsContact O-CD1 3.27Å; L113-L120 WeakPolarHBondContact O-CD1 3.33Å; E116-L120 WeakPolarHBondContact O-CG 3.23Å; E116-L120 PolarHBondContact O-N 3.16Å; W117-L120 PolarHBondContact O-N 2.94Å; N118-L120 VanDerWaalsContact C-N 3.32Å; N118-L120 PolarHBondContact O-N 2.83Å; L120-E122 VanDerWaalsContact C-N 3.29Å; L120-E122 PolarHBondContact O-N 3.01Å; L120-I123 PolarHBondContact O-N 2.72Å; L120-I124 WeakPolarHBondContact O-CG1 3.26Å; L120-I124 PolarHBondContact O-N 3.38Å; L120-Y151 HydrophobicContact CD1-CE2 3.71Å; L120-L154 HydrophobicContact CB-CD2 4.45Å; L120-L155 HydrophobicContact CB-CD2 4.4Å
121K98.4Very high97.9Very high123 Ų12351 Ų5154%0.53525%0.254SS..Hα-helixtrans-57.3-44.8175.7-176.6180177.6-178.50111.2W117 N118 S125 A158W117-K121 WeakPolarHBondContact O-CB 3.39Å; W117-K121 PolarHBondContact O-N 2.87Å; N118-K121 PolarHBondContact O-N 3.47Å; K121-S125 WeakPolarHBondContact O-CB 3.4Å; K121-S125 PolarHBondContact O-N 2.81Å; K121-A158 HydrophobicContact CG-CB 4.21Å
122E98.4Very high98Very high113 Ų11357.9 Ų57.953%0.52829%0.292SS..Hα-helixtrans-64.3-45.6179.2-163.9-171166.800112.3P76 N118 S119 L120 R126P76-E122 HydrophobicContact CB-CG 4.48Å; P76-E122 HydrophobicContact CG-CB 4.04Å; P76-E122 HydrophobicContact CG-CG 3.57Å; N118-E122 PolarHBondContact O-N 2.8Å; S119-E122 PolarHBondContact O-N 3.08Å; L120-E122 VanDerWaalsContact C-N 3.29Å; L120-E122 PolarHBondContact O-N 3.01Å; E122-R126 VanDerWaalsContact O-CB 3.23Å; E122-R126 WeakPolarHBondContact O-CB 3.37Å; E122-R126 PolarHBondContact O-N 3.07Å; E122-R126 VanDerWaalsContact O-N 3.07Å
123I98.7Very high98Very high0 Ų057.4 Ų57.40%029%0.291CS..Hα-helixtrans-61.6-50.4179.6-67163.2000110.7P76 F79 L95 L113 S119 L120 A127P76-I123 HydrophobicContact CB-CG1 4.38Å; P76-I123 HydrophobicContact CG-CG1 3.82Å; F79-I123 HydrophobicContact CB-CG2 3.98Å; F79-I123 HydrophobicContact CD1-CG2 3.59Å; F79-I123 HydrophobicContact CE1-CG2 4.33Å; F79-I123 HydrophobicContact CG-CG2 3.95Å; L95-I123 HydrophobicContact CD2-CG2 3.77Å; L113-I123 HydrophobicContact CD2-CD1 3.91Å; S119-I123 WeakPolarHBondContact O-CD1 3.21Å; S119-I123 WeakPolarHBondContact O-CG1 3.25Å; S119-I123 PolarHBondContact O-N 2.84Å; L120-I123 PolarHBondContact O-N 2.72Å; I123-A127 VanDerWaalsContact O-CB 3.3Å; I123-A127 WeakPolarHBondContact O-CB 3.45Å; I123-A127 PolarHBondContact O-N 3.19Å; I123-A127 VanDerWaalsContact O-N 3.11Å
124I98.8Very high98.2Very high0 Ų059.1 Ų59.10%030%0.302CS..Hα-helixtrans-71.1-45.3-175-61.4-55.1000111L95 L120 R126 A127 S128 V135 C137 L155 A158 A160L95-I124 HydrophobicContact CB-CD1 4.09Å; L95-I124 HydrophobicContact CD2-CD1 3.67Å; L95-I124 HydrophobicContact CD2-CG1 4.44Å; L120-I124 WeakPolarHBondContact O-CG1 3.26Å; L120-I124 PolarHBondContact O-N 3.38Å; I124-R126 PolarHBondContact O-N 2.7Å; I124-A127 PolarHBondContact O-N 3.35Å; I124-S128 WeakPolarHBondContact O-CB 3.39Å; I124-S128 PolarHBondContact O-N 3.16Å; I124-S128 PolarHBondContact O-OG 3.07Å; I124-V135 HydrophobicContact CD1-CG1 4.04Å; I124-C137 WeakPolarHBondContact CD1-SG 3.24Å; I124-L155 HydrophobicContact CG1-CD2 4.21Å; I124-A158 HydrophobicContact CB-CB 3.93Å; I124-A158 HydrophobicContact CG2-CB 3.88Å; I124-A160 HydrophobicContact CG2-CB 4.22Å
125S98.7Very high98.3Very high45 Ų4559 Ų5932%0.31530%0.302SS..Hα-helixtrans-61.8-43.4179.7179.80000112.3K121 S128 L129 A158K121-S125 WeakPolarHBondContact O-CB 3.4Å; K121-S125 PolarHBondContact O-N 2.81Å; S125-S128 PolarHBondContact O-N 3.24Å; S125-S128 PolarHBondContact O-OG 2.87Å; S125-L129 WeakPolarHBondContact O-CB 3.42Å; S125-L129 WeakPolarHBondContact O-CD1 3.45Å; S125-L129 VanDerWaalsContact O-CG 3.24Å; S125-L129 WeakPolarHBondContact O-CG 3.43Å; S125-L129 PolarHBondContact O-N 2.95Å; S125-L129 VanDerWaalsContact O-N 3.14Å; S125-A158 WeakPolarHBondContact CA-O 3.42Å; S125-A158 PolarHBondContact N-O 3.22Å
126R98.7Very high98.4Very high89 Ų8956.3 Ų56.334%0.33629%0.288SS..Hα-helixtrans-65.2-42.2177-167179.2176.5178.5-7.3111.6P76 V80 E122 I124 L129 E130P76-R126 HydrophobicContact CB-CB 4.24Å; V80-R126 HydrophobicContact CG2-CB 4.35Å; V80-R126 HydrophobicContact CG2-CG 4.02Å; E122-R126 VanDerWaalsContact O-CB 3.23Å; E122-R126 WeakPolarHBondContact O-CB 3.37Å; E122-R126 PolarHBondContact O-N 3.07Å; E122-R126 VanDerWaalsContact O-N 3.07Å; I124-R126 PolarHBondContact O-N 2.7Å; R126-L129 PolarHBondContact O-N 2.86Å; R126-E130 HydrophobicContact CG-CG 4.41Å; R126-E130 WeakPolarHBondContact CG-OE1 3.4Å; R126-E130 IonicContact CZ-OE1 3.65Å; R126-E130 IonicContact NE-OE1 2.98Å; R126-E130 PolarHBondContact NE-OE1 3.43Å; R126-E130 IonicContact NH2-OE1 3.62Å; R126-E130 WeakPolarHBondContact O-CB 3.41Å; R126-E130 WeakPolarHBondContact O-CG 3.41Å; R126-E130 PolarHBondContact O-N 3.21Å
127A98.8Very high98.5Very high0 Ų052.4 Ų52.40%027%0.269CS..Hα-helixtrans-66.3-42.5178.200000112.7F79 V80 I123 I124 L129 E130 L131 V135F79-A127 HydrophobicContact CD1-CB 3.69Å; F79-A127 HydrophobicContact CE1-CB 3.56Å; V80-A127 HydrophobicContact CG2-CB 4.09Å; I123-A127 VanDerWaalsContact O-CB 3.3Å; I123-A127 WeakPolarHBondContact O-CB 3.45Å; I123-A127 PolarHBondContact O-N 3.19Å; I123-A127 VanDerWaalsContact O-N 3.11Å; I124-A127 PolarHBondContact O-N 3.35Å; A127-L129 PolarHBondContact O-N 3.36Å; A127-E130 PolarHBondContact O-N 3.04Å; A127-L131 HydrophobicContact CB-CD1 3.95Å; A127-L131 VanDerWaalsContact O-CB 3.25Å; A127-L131 WeakPolarHBondContact O-CB 3.26Å; A127-L131 WeakPolarHBondContact O-CD1 3.29Å; A127-L131 WeakPolarHBondContact O-CG 3.32Å; A127-L131 PolarHBondContact O-N 3.11Å; A127-L131 VanDerWaalsContact O-N 3.08Å; A127-V135 HydrophobicContact CB-CG1 4.36Å; A127-V135 HydrophobicContact CB-CG2 3.87Å
128S98.5Very high98.5Very high44 Ų4449.8 Ų49.831%0.30826%0.26SS..Hα-helixtrans-65.8-27.9177.9610000113.1I124 S125 A158I124-S128 WeakPolarHBondContact O-CB 3.39Å; I124-S128 PolarHBondContact O-N 3.16Å; I124-S128 PolarHBondContact O-OG 3.07Å; S125-S128 PolarHBondContact O-N 3.24Å; S125-S128 PolarHBondContact O-OG 2.87Å; S128-A158 PolarHBondContact OG-O 2.93Å
129L98.5Very high98.6Very high141 Ų14143.3 Ų43.374%0.73823%0.225SC*.Hα-helixtrans-82.5-34.9177.4-71.8170.2000113.1S125 R126 A127S125-L129 WeakPolarHBondContact O-CB 3.42Å; S125-L129 WeakPolarHBondContact O-CD1 3.45Å; S125-L129 VanDerWaalsContact O-CG 3.24Å; S125-L129 WeakPolarHBondContact O-CG 3.43Å; S125-L129 PolarHBondContact O-N 2.95Å; S125-L129 VanDerWaalsContact O-N 3.14Å; R126-L129 PolarHBondContact O-N 2.86Å; A127-L129 PolarHBondContact O-N 3.36Å
130E98.6Very high98.6Very high68 Ų6842 Ų4232%0.31821%0.213SC..Hα-helixtrans-97.5-9.5-172-70.6-166.7-137.100114.9V80 K84 R126 A127V80-E130 HydrophobicContact CG1-CB 4.06Å; V80-E130 WeakPolarHBondContact CG1-OE2 3.28Å; K84-E130 WeakPolarHBondContact CE-O 3.29Å; K84-E130 IonicContact NZ-OE2 3.43Å; K84-E130 PolarHBondContact NZ-OE2 2.91Å; R126-E130 HydrophobicContact CG-CG 4.41Å; R126-E130 WeakPolarHBondContact CG-OE1 3.4Å; R126-E130 IonicContact CZ-OE1 3.65Å; R126-E130 IonicContact NE-OE1 2.98Å; R126-E130 PolarHBondContact NE-OE1 3.43Å; R126-E130 IonicContact NH2-OE1 3.62Å; R126-E130 WeakPolarHBondContact O-CB 3.41Å; R126-E130 WeakPolarHBondContact O-CG 3.41Å; R126-E130 PolarHBondContact O-N 3.21Å; A127-E130 PolarHBondContact O-N 3.04Å
131L98.6Very high98.6Very high14 Ų1442.2 Ų42.27%0.07321%0.214CC..  trans-106.4144.2-179.1-60.2171.1000111.2A83 K84 A127 V133 V135A83-L131 HydrophobicContact CB-CD1 3.44Å; A83-L131 VanDerWaalsContact CB-CD1 3.44Å; A83-L131 HydrophobicContact CB-CD2 3.59Å; A83-L131 HydrophobicContact CB-CG 4.15Å; K84-L131 HydrophobicContact CG-CD2 3.72Å; A127-L131 HydrophobicContact CB-CD1 3.95Å; A127-L131 VanDerWaalsContact O-CB 3.25Å; A127-L131 WeakPolarHBondContact O-CB 3.26Å; A127-L131 WeakPolarHBondContact O-CD1 3.29Å; A127-L131 WeakPolarHBondContact O-CG 3.32Å; A127-L131 PolarHBondContact O-N 3.11Å; A127-L131 VanDerWaalsContact O-N 3.08Å; L131-V133 VanDerWaalsContact C-N 3.34Å; L131-V135 HydrophobicContact CD1-CG2 3.78Å
132N98.2Very high98.6Very high146 Ų14636.9 Ų36.978%0.78119%0.191SC*.SBendtrans-89.5-3.6174.3-57.1-41.2000112.5Q87Q87-N132 VanDerWaalsContact OE1-CB 3.31Å
133V98.5Very high98.6Very high22 Ų2236.7 Ų36.713%0.13320%0.202CC..SBendtrans-111.9146.4174.1-68.30000109.8Q87 V93 L131Q87-V133 HydrophobicContact CB-CG2 4.05Å; Q87-V133 HydrophobicContact CG-CG1 4.16Å; Q87-V133 HydrophobicContact CG-CG2 4.25Å; V93-V133 HydrophobicContact CG2-CG2 4.01Å; L131-V133 VanDerWaalsContact C-N 3.34Å
134P98.7Very high98.6Very high38 Ų3840.7 Ų40.725%0.24722%0.224CC..  trans-54.2147.8177.6-28.536.1000113.8L3 D91 A92 V93L3-P134 HydrophobicContact CD1-CB 4Å; L3-P134 HydrophobicContact CD1-CG 3.56Å; L3-P134 HydrophobicContact CD2-CB 3.87Å; L3-P134 HydrophobicContact CD2-CG 4.37Å; D91-P134 WeakPolarHBondContact O-CD 3.12Å; A92-P134 WeakPolarHBondContact CA-O 3.27Å; A92-P134 HydrophobicContact CB-CB 4.11Å; A92-P134 VanDerWaalsContact CB-O 3.26Å; A92-P134 WeakPolarHBondContact CB-O 3.22Å; V93-P134 PolarHBondContact N-O 2.83Å
135V98.9Very high98.5Very high2 Ų243.8 Ų43.81%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-105.6127.8174.6-177.10000109.3F79 V93 I124 A127 L131 A160 S161F79-V135 HydrophobicContact CE1-CG1 4.05Å; F79-V135 HydrophobicContact CZ-CG1 4.29Å; V93-V135 CarbonylContact O-C 3.45Å; V93-V135 WeakPolarHBondContact O-CA 3.18Å; I124-V135 HydrophobicContact CD1-CG1 4.04Å; A127-V135 HydrophobicContact CB-CG1 4.36Å; A127-V135 HydrophobicContact CB-CG2 3.87Å; L131-V135 HydrophobicContact CD1-CG2 3.78Å; V135-A160 CarbonylContact O-C 3.48Å; V135-A160 WeakPolarHBondContact O-CA 3.29Å; V135-S161 PolarHBondContact O-N 3.42Å
136T98.9Very high98.5Very high0 Ų046.6 Ų46.60%025%0.25CS..EExtended strand (participates in β ladder)trans-119.3164179.573.30000110.6L3 A92 V93 D94 L95 M162L3-T136 HydrophobicContact CD2-CG2 4.11Å; A92-T136 HydrophobicContact CB-CG2 4.07Å; V93-T136 PolarHBondContact O-N 3.34Å; D94-T136 WeakPolarHBondContact CA-O 3.32Å; D94-T136 WeakPolarHBondContact CA-OG1 3.29Å; D94-T136 VanDerWaalsContact CB-OG1 3.24Å; D94-T136 WeakPolarHBondContact CB-OG1 3.4Å; D94-T136 PolarHBondContact OD1-OG1 3.41Å; L95-T136 PolarHBondContact N-O 2.78Å; T136-M162 WeakPolarHBondContact CA-O 3.45Å; T136-M162 WeakPolarHBondContact CB-O 3.36Å; T136-M162 HydrophobicContact CG2-CB 3.84Å; T136-M162 HydrophobicContact CG2-CE 3.95Å
137C98.9Very high98.5Very high0 Ų046.6 Ų46.60%025%0.25CS..EExtended strand (participates in β ladder)trans-132.7132.7175.2-680000111.5D94 L97 I124 I139 L155 M162 L163 T164D94-C137 VanDerWaalsContact OD1-CA 3.26Å; D94-C137 WeakPolarHBondContact OD1-CA 3.49Å; D94-C137 PolarHBondContact OD1-N 3.16Å; D94-C137 VanDerWaalsContact OD1-N 3.16Å; L97-C137 HydrophobicContact CD1-CB 4.19Å; I124-C137 WeakPolarHBondContact CD1-SG 3.24Å; C137-I139 HydrophobicContact CB-CG2 4.3Å; C137-L155 HydrophobicContact CB-CD1 4.12Å; C137-M162 PolarHBondContact N-O 2.99Å; C137-M162 VanDerWaalsContact N-O 3.08Å; C137-L163 HydrophobicContact CB-CD2 3.78Å; C137-L163 CarbonylContact O-C 3.53Å; C137-L163 WeakPolarHBondContact O-CA 3.39Å; C137-T164 PolarHBondContact O-N 3.44Å
138K98.9Very high98.5Very high17 Ų1746.6 Ų46.67%0.07425%0.25CS..EExtended strand (participates in β ladder)trans-99.9112.6166.5-174.2175.8-160.4-540110.9P16 D94 L95 L97 G98 T164 N199 M221P16-K138 HydrophobicContact CG-CD 3.89Å; D94-K138 PolarHBondContact OD1-N 2.98Å; D94-K138 PolarHBondContact OD2-N 3.09Å; L95-K138 PolarHBondContact O-N 3.36Å; L97-K138 CarbonylContact C-O 3.57Å; L97-K138 VanDerWaalsContact C-O 3.32Å; L97-K138 WeakPolarHBondContact CA-O 3.47Å; L97-K138 PolarHBondContact N-O 2.81Å; G98-K138 PolarHBondContact N-O 2.66Å; K138-T164 CarbonylContact C-O 3.56Å; K138-T164 WeakPolarHBondContact CA-O 3.27Å; K138-T164 HydrophobicContact CD-CG2 4.21Å; K138-T164 HydrophobicContact CG-CG2 3.86Å; K138-N199 PolarHBondContact NZ-OD1 2.79Å; K138-M221 HydrophobicContact CD-SD 4.36Å; K138-M221 WeakPolarHBondContact CE-SD 3.36Å
139I98.8Very high98.5Very high0 Ų045.1 Ų45.10%024%0.239CC..EExtended strand (participates in β ladder)trans-109.9164.1-17569.1172000113.2L97 C137 Y151 L155 T164 V165 H166L97-I139 HydrophobicContact CB-CG2 4.11Å; L97-I139 HydrophobicContact CD1-CG2 4.15Å; C137-I139 HydrophobicContact CB-CG2 4.3Å; I139-Y151 HydrophobicContact CB-CE1 3.86Å; I139-Y151 HydrophobicContact CD1-CD1 4.19Å; I139-Y151 HydrophobicContact CD1-CE1 4.09Å; I139-Y151 HydrophobicContact CG2-CE1 3.82Å; I139-L155 HydrophobicContact CG2-CD1 3.52Å; I139-T164 PolarHBondContact N-O 2.63Å; I139-V165 HydrophobicContact CD1-CG1 4.44Å; I139-V165 HydrophobicContact CD1-CG2 4.03Å; I139-V165 HydrophobicContact CG1-CB 4.34Å; I139-V165 HydrophobicContact CG1-CG1 4.27Å; I139-V165 HydrophobicContact CG1-CG2 4.02Å; I139-H166 WeakPolarHBondContact O-CB 3.33Å; I139-H166 PolarHBondContact O-N 3.38Å
140R98.7Very high98.5Very high21 Ų2142.5 Ų42.58%0.07922%0.223CC..EExtended strand (participates in β ladder)trans-109.5154.7159.4-82.7-172.1-178.4-142.3-9.7109.2G98 P100 H166 R168 T169 M172G98-R140 VanDerWaalsContact O-CD 3.23Å; G98-R140 WeakPolarHBondContact O-CD 3.28Å; G98-R140 PolarHBondContact O-NE 2.89Å; P100-R140 VanDerWaalsContact CG-CZ 3.46Å; R140-H166 HydrophobicContact CG-CB 4.25Å; R140-R168 WeakPolarHBondContact CB-O 3.48Å; R140-R168 WeakPolarHBondContact CD-O 3.48Å; R140-R168 VanDerWaalsContact CG-O 3.23Å; R140-R168 WeakPolarHBondContact CG-O 3.43Å; R140-T169 PolarHBondContact NH1-O 3.49Å; R140-M172 PolarHBondContact NH1-O 3.33Å
141I98.7Very high98.5Very high3 Ų339.2 Ų39.22%0.01521%0.208CC..  trans-78.5157.4176.763.2176.1000111.8T148 V165 H166 G167 R168 T169 D181 Q184I141-T148 HydrophobicContact CB-CG2 3.93Å; I141-T148 HydrophobicContact CG2-CG2 3.72Å; I141-V165 HydrophobicContact CG2-CG1 3.63Å; I141-H166 PolarHBondContact N-O 3.22Å; I141-G167 VanDerWaalsContact CD1-O 3.29Å; I141-G167 WeakPolarHBondContact CD1-O 3.49Å; I141-R168 PolarHBondContact N-O 3.07Å; I141-T169 HydrophobicContact CG1-CG2 4.34Å; I141-T169 WeakPolarHBondContact O-CA 3.4Å; I141-D181 HydrophobicContact CD1-CB 3.85Å; I141-Q184 HydrophobicContact CD1-CB 4.09Å; I141-Q184 HydrophobicContact CD1-CG 4.37Å; I141-Q184 HydrophobicContact CG2-CB 4.12Å
142F98.3Very high98.6Very high11 Ų1138.6 Ų38.65%0.04821%0.205CC..  trans-82.4169.6160.7-66.3-82.1000110.3Q114 D144 R147 T148 Y151 Q184Q114-F142 HydrophobicContact CB-CZ 4.1Å; Q114-F142 HydrophobicContact CG-CE1 3.84Å; Q114-F142 HydrophobicContact CG-CZ 3.79Å; F142-D144 VanDerWaalsContact C-N 3.27Å; F142-R147 HydrophobicContact CB-CB 4.34Å; F142-R147 HydrophobicContact CB-CG 4.42Å; F142-R147 HydrophobicContact CD1-CG 4.41Å; F142-R147 HydrophobicContact CD2-CB 4.31Å; F142-R147 HydrophobicContact CD2-CG 3.78Å; F142-R147 VanDerWaalsContact CE1-CZ 3.47Å; F142-R147 HydrophobicContact CE2-CG 4.09Å; F142-R147 HydrophobicContact CG-CB 4.38Å; F142-R147 HydrophobicContact CG-CG 3.95Å; F142-T148 PolarHBondContact N-OG1 3.01Å; F142-Y151 HydrophobicContact CD2-CD1 4.26Å; F142-Y151 AromaticContact CE2-CD1 3.6Å; F142-Y151 HydrophobicContact CE2-CD1 3.6Å; F142-Y151 HydrophobicContact CE2-CE1 4.29Å; F142-Y151 AromaticContact CE2-CG 3.87Å; F142-Y151 HydrophobicContact CE2-CG 3.87Å; F142-Q184 PolarHBondContact O-NE2 2.93Å; F142-Q184 PolarHBondContact O-OE1 2.94Å
143S97Very high98.6Very high109 Ų10936.4 Ų36.476%0.76219%0.188SC*.SBendtrans-69.3-30.5170.152.60000112.1
144D98.1Very high98.6Very high85 Ų8537.2 Ų37.246%0.45519%0.192SC..SBendtrans-90.3125.4176.317557.3000110.5F142 R147 T148F142-D144 VanDerWaalsContact C-N 3.27Å; D144-R147 HydrophobicContact CB-CB 4.1Å; D144-R147 WeakPolarHBondContact OD2-CB 3.39Å; D144-R147 PolarHBondContact OD2-N 3.38Å; D144-T148 PolarHBondContact O-N 3.2Å; D144-T148 VanDerWaalsContact O-N 3.15Å; D144-T148 PolarHBondContact O-OG1 3.37Å
145V98.5Very high98.6Very high65 Ų6535.4 Ų35.439%0.39418%0.18SC..Hα-helixtrans-66-42.5-175.1-175.60000110.9R147 T148 V149 Q184 A187V145-R147 PolarHBondContact O-N 3.38Å; V145-T148 WeakPolarHBondContact O-CB 3.41Å; V145-T148 PolarHBondContact O-N 3.49Å; V145-T148 VanDerWaalsContact O-N 3.16Å; V145-V149 HydrophobicContact CG1-CG2 4.49Å; V145-V149 WeakPolarHBondContact O-CG2 3.24Å; V145-V149 PolarHBondContact O-N 2.87Å; V145-Q184 HydrophobicContact CB-CG 4.35Å; V145-Q184 HydrophobicContact CG1-CG 4.18Å; V145-Q184 HydrophobicContact CG2-CG 3.77Å; V145-A187 HydrophobicContact CG1-CB 3.73Å
146E98.5Very high98.6Very high103 Ų10337.5 Ų37.548%0.48119%0.19SC..Hα-helixtrans-64.3-43.5-178-179.155.3-148.700110.7T148 V149 Q150E146-T148 VanDerWaalsContact C-N 3.32Å; E146-T148 PolarHBondContact O-N 2.91Å; E146-V149 PolarHBondContact O-N 3.25Å; E146-V149 VanDerWaalsContact O-N 3.14Å; E146-Q150 WeakPolarHBondContact O-CG 3.49Å; E146-Q150 PolarHBondContact O-N 3.3Å; E146-Q150 WeakPolarHBondContact OE1-CG 3.47Å; E146-Q150 PolarHBondContact OE1-NE2 3.08Å
147R98.4Very high98.6Very high90 Ų9041.9 Ų41.934%0.3423%0.225SC..Hα-helixtrans-60.8-39.3173.5-169.1175.4-176.5-162.6-7.3112.5D115 W117 F142 D144 V145 Y151D115-R147 IonicContact OD1-CZ 2.94Å; D115-R147 IonicContact OD1-NH1 3.84Å; D115-R147 IonicContact OD1-NH2 2.69Å; D115-R147 PolarHBondContact OD1-NH2 3.3Å; W117-R147 HydrophobicContact CZ2-CG 4.06Å; F142-R147 HydrophobicContact CB-CB 4.34Å; F142-R147 HydrophobicContact CB-CG 4.42Å; F142-R147 HydrophobicContact CD1-CG 4.41Å; F142-R147 HydrophobicContact CD2-CB 4.31Å; F142-R147 HydrophobicContact CD2-CG 3.78Å; F142-R147 VanDerWaalsContact CE1-CZ 3.47Å; F142-R147 HydrophobicContact CE2-CG 4.09Å; F142-R147 HydrophobicContact CG-CB 4.38Å; F142-R147 HydrophobicContact CG-CG 3.95Å; D144-R147 HydrophobicContact CB-CB 4.1Å; D144-R147 WeakPolarHBondContact OD2-CB 3.39Å; D144-R147 PolarHBondContact OD2-N 3.38Å; V145-R147 PolarHBondContact O-N 3.38Å; R147-Y151 VanDerWaalsContact O-CB 3.22Å; R147-Y151 WeakPolarHBondContact O-CB 3.35Å; R147-Y151 PolarHBondContact O-N 3.25Å
148T98.7Very high98.6Very high0 Ų042.2 Ų42.20%023%0.228CC..Hα-helixtrans-61.3-44.3173.2-62.10000111.4I141 F142 D144 V145 E146 Y151 A152 Q184 V188I141-T148 HydrophobicContact CB-CG2 3.93Å; I141-T148 HydrophobicContact CG2-CG2 3.72Å; F142-T148 PolarHBondContact N-OG1 3.01Å; D144-T148 PolarHBondContact O-N 3.2Å; D144-T148 VanDerWaalsContact O-N 3.15Å; D144-T148 PolarHBondContact O-OG1 3.37Å; V145-T148 WeakPolarHBondContact O-CB 3.41Å; V145-T148 PolarHBondContact O-N 3.49Å; V145-T148 VanDerWaalsContact O-N 3.16Å; E146-T148 VanDerWaalsContact C-N 3.32Å; E146-T148 PolarHBondContact O-N 2.91Å; T148-Y151 PolarHBondContact O-N 2.94Å; T148-A152 PolarHBondContact O-N 2.88Å; T148-Q184 PolarHBondContact OG1-OE1 3.28Å; T148-V188 HydrophobicContact CG2-CG2 3.64Å
149V98.8Very high98.6Very high13 Ų1342.5 Ų42.58%0.07924%0.236CC..Hα-helixtrans-65.1-46.2178.81670000111.5V145 E146 Y151 A152 K153 A187 A191V145-V149 HydrophobicContact CG1-CG2 4.49Å; V145-V149 WeakPolarHBondContact O-CG2 3.24Å; V145-V149 PolarHBondContact O-N 2.87Å; E146-V149 PolarHBondContact O-N 3.25Å; E146-V149 VanDerWaalsContact O-N 3.14Å; V149-Y151 VanDerWaalsContact C-N 3.31Å; V149-Y151 PolarHBondContact O-N 2.88Å; V149-A152 PolarHBondContact O-N 2.83Å; V149-K153 HydrophobicContact CG1-CD 4.31Å; V149-K153 WeakPolarHBondContact O-CG 3.45Å; V149-K153 PolarHBondContact O-N 2.86Å; V149-A187 HydrophobicContact CG2-CB 4.02Å; V149-A191 HydrophobicContact CG1-CB 3.54Å; V149-A191 HydrophobicContact CG2-CB 4.39Å
150Q98.7Very high98.6Very high85 Ų8542.7 Ų42.740%0.39724%0.238SC..Hα-helixtrans-61.1-41.4176.7-71.2175.3-0.800111.8W117 E146 K153 L154W117-Q150 HydrophobicContact CH2-CB 3.94Å; E146-Q150 WeakPolarHBondContact O-CG 3.49Å; E146-Q150 PolarHBondContact O-N 3.3Å; E146-Q150 WeakPolarHBondContact OE1-CG 3.47Å; E146-Q150 PolarHBondContact OE1-NE2 3.08Å; Q150-K153 PolarHBondContact O-N 3.11Å; Q150-L154 WeakPolarHBondContact O-CB 3.43Å; Q150-L154 PolarHBondContact O-N 3Å
151Y98.7Very high98.6Very high0 Ų043.6 Ų43.60%025%0.248CC..Hα-helixtrans-61.5-44174.8173.3-140.9000112.2L97 Q114 L120 I139 F142 R147 T148 V149 L154 L155L97-Y151 WeakPolarHBondContact CB-OH 3.26Å; L97-Y151 WeakPolarHBondContact CD1-OH 3.33Å; Q114-Y151 HydrophobicContact CB-CE1 4.39Å; L120-Y151 HydrophobicContact CD1-CE2 3.71Å; I139-Y151 HydrophobicContact CB-CE1 3.86Å; I139-Y151 HydrophobicContact CD1-CD1 4.19Å; I139-Y151 HydrophobicContact CD1-CE1 4.09Å; I139-Y151 HydrophobicContact CG2-CE1 3.82Å; F142-Y151 HydrophobicContact CD2-CD1 4.26Å; F142-Y151 AromaticContact CE2-CD1 3.6Å; F142-Y151 HydrophobicContact CE2-CD1 3.6Å; F142-Y151 HydrophobicContact CE2-CE1 4.29Å; F142-Y151 AromaticContact CE2-CG 3.87Å; F142-Y151 HydrophobicContact CE2-CG 3.87Å; R147-Y151 VanDerWaalsContact O-CB 3.22Å; R147-Y151 WeakPolarHBondContact O-CB 3.35Å; R147-Y151 PolarHBondContact O-N 3.25Å; T148-Y151 PolarHBondContact O-N 2.94Å; V149-Y151 VanDerWaalsContact C-N 3.31Å; V149-Y151 PolarHBondContact O-N 2.88Å; Y151-L154 PolarHBondContact O-N 3.2Å; Y151-L155 HydrophobicContact CD2-CD1 4.14Å; Y151-L155 HydrophobicContact CD2-CG 4.15Å; Y151-L155 HydrophobicContact CE1-CD1 4.49Å; Y151-L155 HydrophobicContact CE2-CD1 3.58Å; Y151-L155 HydrophobicContact CE2-CD2 4.07Å; Y151-L155 HydrophobicContact CE2-CG 3.81Å; Y151-L155 WeakPolarHBondContact O-CG 3.36Å; Y151-L155 PolarHBondContact O-N 2.9Å; Y151-L155 VanDerWaalsContact O-N 3.13Å
152A98.9Very high98.6Very high0 Ų043.5 Ų43.50%025%0.247CC..Hα-helixtrans-63.5-45.5176.400000112.5T148 V149 L154 L155 E156 L163 V188 V192T148-A152 PolarHBondContact O-N 2.88Å; V149-A152 PolarHBondContact O-N 2.83Å; A152-L154 VanDerWaalsContact C-N 3.3Å; A152-L154 PolarHBondContact O-N 2.69Å; A152-L155 PolarHBondContact O-N 2.74Å; A152-E156 PolarHBondContact O-N 2.69Å; A152-L163 HydrophobicContact CB-CD1 3.74Å; A152-V188 HydrophobicContact CB-CB 4.44Å; A152-V188 HydrophobicContact CB-CG1 3.59Å; A152-V188 HydrophobicContact CB-CG2 4.11Å; A152-V192 HydrophobicContact CB-CG1 3.93Å
153K98.8Very high98.6Very high101 Ų10143 Ų4344%0.43925%0.245SC..Hα-helixtrans-60.7-38.2175.3-72.7-178.9-179.3177.70112.2V149 Q150 E156 A157 A191 V192V149-K153 HydrophobicContact CG1-CD 4.31Å; V149-K153 WeakPolarHBondContact O-CG 3.45Å; V149-K153 PolarHBondContact O-N 2.86Å; Q150-K153 PolarHBondContact O-N 3.11Å; K153-E156 PolarHBondContact O-N 3.07Å; K153-A157 VanDerWaalsContact O-CB 3.27Å; K153-A157 WeakPolarHBondContact O-CB 3.32Å; K153-A157 PolarHBondContact O-N 2.86Å; K153-A191 WeakPolarHBondContact CE-O 3.37Å; K153-V192 HydrophobicContact CG-CG1 4.41Å
154L98.7Very high98.7Very high39 Ų3937.8 Ų37.820%0.20421%0.209CC..Hα-helixtrans-62.2-45176.2177.7147.5000111.6W117 L120 Q150 Y151 A152 A157 A158W117-L154 HydrophobicContact CB-CD1 3.74Å; W117-L154 HydrophobicContact CD2-CD1 4.03Å; W117-L154 HydrophobicContact CE3-CD1 3.9Å; W117-L154 HydrophobicContact CG-CD1 4Å; L120-L154 HydrophobicContact CB-CD2 4.45Å; Q150-L154 WeakPolarHBondContact O-CB 3.43Å; Q150-L154 PolarHBondContact O-N 3Å; Y151-L154 PolarHBondContact O-N 3.2Å; A152-L154 VanDerWaalsContact C-N 3.3Å; A152-L154 PolarHBondContact O-N 2.69Å; L154-A157 PolarHBondContact O-N 2.67Å; L154-A158 VanDerWaalsContact O-CB 3.31Å; L154-A158 WeakPolarHBondContact O-CB 3.2Å; L154-A158 PolarHBondContact O-N 3.43Å
155L98.8Very high98.7Very high0 Ų033.8 Ų33.80%019%0.187CC..Hα-helixtrans-66.1-42.1178.8-67.1175.4000111.8L97 L120 I124 C137 I139 Y151 A152 A158 G159 A160 L163L97-L155 HydrophobicContact CD1-CD1 4Å; L97-L155 HydrophobicContact CD1-CD2 3.96Å; L120-L155 HydrophobicContact CB-CD2 4.4Å; I124-L155 HydrophobicContact CG1-CD2 4.21Å; C137-L155 HydrophobicContact CB-CD1 4.12Å; I139-L155 HydrophobicContact CG2-CD1 3.52Å; Y151-L155 HydrophobicContact CD2-CD1 4.14Å; Y151-L155 HydrophobicContact CD2-CG 4.15Å; Y151-L155 HydrophobicContact CE1-CD1 4.49Å; Y151-L155 HydrophobicContact CE2-CD1 3.58Å; Y151-L155 HydrophobicContact CE2-CD2 4.07Å; Y151-L155 HydrophobicContact CE2-CG 3.81Å; Y151-L155 WeakPolarHBondContact O-CG 3.36Å; Y151-L155 PolarHBondContact O-N 2.9Å; Y151-L155 VanDerWaalsContact O-N 3.13Å; A152-L155 PolarHBondContact O-N 2.74Å; L155-A158 PolarHBondContact O-N 2.93Å; L155-G159 PolarHBondContact O-N 2.79Å; L155-A160 HydrophobicContact CB-CB 4.25Å; L155-A160 WeakPolarHBondContact O-CB 3.41Å; L155-A160 PolarHBondContact O-N 3.09Å; L155-L163 HydrophobicContact CB-CD2 4.05Å; L155-L163 HydrophobicContact CD1-CD2 4.01Å
156E98.8Very high98.7Very high46 Ų4631.5 Ų31.522%0.21517%0.172CC..Hα-helixtrans-58.6-52.1173.1177.3176.1-12900111.1A152 K153 A158 G159 K193 I194A152-E156 PolarHBondContact O-N 2.69Å; K153-E156 PolarHBondContact O-N 3.07Å; E156-A158 PolarHBondContact O-N 2.82Å; E156-G159 PolarHBondContact O-N 2.89Å; E156-K193 WeakPolarHBondContact OE1-CA 3.45Å; E156-K193 WeakPolarHBondContact OE1-CB 3.25Å; E156-K193 PolarHBondContact OE1-N 3.15Å; E156-I194 HydrophobicContact CB-CD1 3.72Å; E156-I194 HydrophobicContact CB-CG1 4.32Å; E156-I194 HydrophobicContact CG-CD1 3.93Å; E156-I194 HydrophobicContact CG-CG1 4.14Å; E156-I194 HydrophobicContact CG-CG2 4.11Å; E156-I194 PolarHBondContact OE1-N 3.21Å
157A98.7Very high98.7Very high91 Ų9126.6 Ų26.675%0.75215%0.149SC*.Hα-helixtrans-63.2-27.4179.900000113K153 L154 G159K153-A157 VanDerWaalsContact O-CB 3.27Å; K153-A157 WeakPolarHBondContact O-CB 3.32Å; K153-A157 PolarHBondContact O-N 2.86Å; L154-A157 PolarHBondContact O-N 2.67Å; A157-G159 VanDerWaalsContact C-N 3.3Å
158A98.7Very high98.7Very high7 Ų724.3 Ų24.36%0.05814%0.14CC..Hα-helixtrans-75.3-16.6174.100000113.1K121 I124 S125 S128 L154 L155 E156K121-A158 HydrophobicContact CG-CB 4.21Å; I124-A158 HydrophobicContact CB-CB 3.93Å; I124-A158 HydrophobicContact CG2-CB 3.88Å; S125-A158 WeakPolarHBondContact CA-O 3.42Å; S125-A158 PolarHBondContact N-O 3.22Å; S128-A158 PolarHBondContact OG-O 2.93Å; L154-A158 VanDerWaalsContact O-CB 3.31Å; L154-A158 WeakPolarHBondContact O-CB 3.2Å; L154-A158 PolarHBondContact O-N 3.43Å; L155-A158 PolarHBondContact O-N 2.93Å; E156-A158 PolarHBondContact O-N 2.82Å
159G98.5Very high98.7Very high24 Ų2425.2 Ų25.225%0.24715%0.146CC..THydrogen-bonded Turntrans120.27.4177.500000115.4L155 E156 A157 S161L155-G159 PolarHBondContact O-N 2.79Å; E156-G159 PolarHBondContact O-N 2.89Å; A157-G159 VanDerWaalsContact C-N 3.3Å; G159-S161 PolarHBondContact O-N 2.93Å
160A98.8Very high98.6Very high4 Ų427 Ų273%0.03315%0.151CC..  trans-63.1129.3172.200000109.9I124 V135 L155 L163 I194I124-A160 HydrophobicContact CG2-CB 4.22Å; V135-A160 CarbonylContact O-C 3.48Å; V135-A160 WeakPolarHBondContact O-CA 3.29Å; L155-A160 HydrophobicContact CB-CB 4.25Å; L155-A160 WeakPolarHBondContact O-CB 3.41Å; L155-A160 PolarHBondContact O-N 3.09Å; A160-L163 HydrophobicContact CB-CD2 4.15Å; A160-I194 HydrophobicContact CB-CD1 4.43Å; A160-I194 VanDerWaalsContact O-CD1 3.24Å; A160-I194 WeakPolarHBondContact O-CD1 3.46Å
161S98.7Very high98.5Very high40 Ų4027.9 Ų27.928%0.2816%0.155SC..SBendtrans-92.8-13-177-54.50000113.6V135 G159 P195V135-S161 PolarHBondContact O-N 3.42Å; G159-S161 PolarHBondContact O-N 2.93Å; S161-P195 WeakPolarHBondContact O-CD 3.37Å
162M98.8Very high98.2Very high0 Ų030 Ų300%017%0.166CC..EExtended strand (participates in β ladder)trans-161.4144.5176.5-177.9173.366.600109.8L3 L4 W7 L36 F38 I68 T136 C137 P195 I197L3-M162 HydrophobicContact CD2-CB 4.05Å; L4-M162 HydrophobicContact CD1-SD 4.41Å; L4-M162 HydrophobicContact CD2-SD 3.69Å; L4-M162 HydrophobicContact CG-SD 4.02Å; W7-M162 HydrophobicContact CZ3-CE 4.45Å; L36-M162 HydrophobicContact CD2-CE 4.39Å; F38-M162 HydrophobicContact CZ-CE 4.48Å; I68-M162 HydrophobicContact CD1-CE 3.53Å; T136-M162 WeakPolarHBondContact CA-O 3.45Å; T136-M162 WeakPolarHBondContact CB-O 3.36Å; T136-M162 HydrophobicContact CG2-CB 3.84Å; T136-M162 HydrophobicContact CG2-CE 3.95Å; C137-M162 PolarHBondContact N-O 2.99Å; C137-M162 VanDerWaalsContact N-O 3.08Å; M162-P195 WeakPolarHBondContact CA-O 3.45Å; M162-P195 HydrophobicContact CB-CG 3.97Å; M162-P195 HydrophobicContact CG-CB 4.18Å; M162-P195 HydrophobicContact CG-CG 3.91Å; M162-P195 WeakPolarHBondContact CG-O 3.36Å; M162-P195 HydrophobicContact SD-CG 4.35Å; M162-I197 HydrophobicContact CE-CD1 3.49Å; M162-I197 VanDerWaalsContact CE-CD1 3.49Å; M162-I197 HydrophobicContact CE-CG1 4.36Å; M162-I197 HydrophobicContact CG-CD1 4.41Å; M162-I197 HydrophobicContact CG-CG1 4.29Å; M162-I197 HydrophobicContact SD-CD1 3.45Å; M162-I197 WeakPolarHBondContact SD-CD1 3.46Å; M162-I197 HydrophobicContact SD-CG1 3.73Å
163L98.9Very high97.8Very high0 Ų033.6 Ų33.60%018%0.182CC..EExtended strand (participates in β ladder)trans-114.1133.2173.3-61179.3000111C137 A152 L155 A160 V165 V188 V192 I194 P195 V196 I197C137-L163 HydrophobicContact CB-CD2 3.78Å; C137-L163 CarbonylContact O-C 3.53Å; C137-L163 WeakPolarHBondContact O-CA 3.39Å; A152-L163 HydrophobicContact CB-CD1 3.74Å; L155-L163 HydrophobicContact CB-CD2 4.05Å; L155-L163 HydrophobicContact CD1-CD2 4.01Å; A160-L163 HydrophobicContact CB-CD2 4.15Å; L163-V165 HydrophobicContact CB-CG2 4.4Å; L163-V188 HydrophobicContact CD1-CG1 4.38Å; L163-V192 HydrophobicContact CD1-CG1 4.46Å; L163-I194 HydrophobicContact CD1-CD1 4.15Å; L163-I194 HydrophobicContact CD2-CD1 4.35Å; L163-I194 HydrophobicContact CG-CD1 3.72Å; L163-P195 PolarHBondContact N-O 3.07Å; L163-V196 CarbonylContact O-C 3.58Å; L163-V196 VanDerWaalsContact O-CA 3.26Å; L163-V196 WeakPolarHBondContact O-CA 3.45Å; L163-I197 PolarHBondContact O-N 3.17Å
164T98.9Very high97.1Very high1 Ų130.7 Ų30.71%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-100.5116.9161.6-60.50000108.9C137 K138 I139 I197 N199 M221C137-T164 PolarHBondContact O-N 3.44Å; K138-T164 CarbonylContact C-O 3.56Å; K138-T164 WeakPolarHBondContact CA-O 3.27Å; K138-T164 HydrophobicContact CD-CG2 4.21Å; K138-T164 HydrophobicContact CG-CG2 3.86Å; I139-T164 PolarHBondContact N-O 2.63Å; T164-I197 CarbonylContact C-O 3.48Å; T164-I197 WeakPolarHBondContact CA-O 3.25Å; T164-I197 HydrophobicContact CG2-CB 4.13Å; T164-I197 HydrophobicContact CG2-CG2 4.24Å; T164-N199 HydrophobicContact CG2-CB 4.07Å; T164-M221 HydrophobicContact CG2-CE 3.65Å; T164-M221 HydrophobicContact CG2-SD 3.76Å
165V98.9Very high96.3Very high0 Ų035.2 Ų35.20%020%0.201CC..EExtended strand (participates in β ladder)trans-103.7111.3-177.7-172.20000109.5I139 I141 L163 I185 V188 V196 I197 N199I139-V165 HydrophobicContact CD1-CG1 4.44Å; I139-V165 HydrophobicContact CD1-CG2 4.03Å; I139-V165 HydrophobicContact CG1-CB 4.34Å; I139-V165 HydrophobicContact CG1-CG1 4.27Å; I139-V165 HydrophobicContact CG1-CG2 4.02Å; I141-V165 HydrophobicContact CG2-CG1 3.63Å; L163-V165 HydrophobicContact CB-CG2 4.4Å; V165-I185 HydrophobicContact CB-CG1 4.08Å; V165-I185 HydrophobicContact CB-CG2 4.42Å; V165-I185 HydrophobicContact CG1-CG1 3.8Å; V165-V188 HydrophobicContact CG2-CB 4.3Å; V165-V188 HydrophobicContact CG2-CG1 3.85Å; V165-V196 HydrophobicContact CG2-CG1 3.88Å; V165-I197 PolarHBondContact N-O 3.25Å; V165-N199 PolarHBondContact O-N 3Å
166H98.8Very high95.6Very high17 Ų1742.6 Ų42.68%0.07923%0.233CC..EExtended strand (participates in β ladder)trans-83.7113.4166.2-168.4176.2000108.4I139 R140 I141 R168 N199I139-H166 WeakPolarHBondContact O-CB 3.33Å; I139-H166 PolarHBondContact O-N 3.38Å; R140-H166 HydrophobicContact CG-CB 4.25Å; I141-H166 PolarHBondContact N-O 3.22Å; H166-R168 WeakPolarHBondContact NE2-CD 3.47Å; H166-R168 PolarHBondContact NE2-NH1 3.13Å; H166-R168 PolarHBondContact O-N 2.86Å; H166-N199 WeakPolarHBondContact CA-O 3.4Å; H166-N199 HydrophobicContact CB-CB 4.38Å; H166-N199 PolarHBondContact CD2-O 2.64Å; H166-N199 VanDerWaalsContact CD2-O 3.24Å
167G98.4Very high95Very high0 Ų041.9 Ų41.90%023%0.232CC..SBendtrans-66.531.4-179.300000115I141 A180 D181 N199I141-G167 VanDerWaalsContact CD1-O 3.29Å; I141-G167 WeakPolarHBondContact CD1-O 3.49Å; G167-A180 CarbonylContact O-C 3.52Å; G167-A180 WeakPolarHBondContact O-CA 3.37Å; G167-D181 PolarHBondContact O-N 3.47Å; G167-N199 PolarHBondContact N-O 3.23Å
168R98.1Very high94.6Very high42 Ų4239.3 Ų39.316%0.15821%0.214CC..SBendtrans-127.5141.9178.4-68.6-174.4-176.7134.65.1109.9R140 I141 H166 M172 T177 G178 A180 N201R140-R168 WeakPolarHBondContact CB-O 3.48Å; R140-R168 WeakPolarHBondContact CD-O 3.48Å; R140-R168 VanDerWaalsContact CG-O 3.23Å; R140-R168 WeakPolarHBondContact CG-O 3.43Å; I141-R168 PolarHBondContact N-O 3.07Å; H166-R168 WeakPolarHBondContact NE2-CD 3.47Å; H166-R168 PolarHBondContact NE2-NH1 3.13Å; H166-R168 PolarHBondContact O-N 2.86Å; R168-M172 HydrophobicContact CB-CB 3.95Å; R168-M172 HydrophobicContact CB-CE 4.43Å; R168-M172 HydrophobicContact CB-SD 4.11Å; R168-M172 HydrophobicContact CG-CB 4.47Å; R168-M172 HydrophobicContact CG-CE 4.06Å; R168-M172 HydrophobicContact CG-SD 4.39Å; R168-T177 VanDerWaalsContact CD-O 3.29Å; R168-T177 WeakPolarHBondContact CD-O 3.5Å; R168-T177 PolarHBondContact NE-O 3Å; R168-G178 PolarHBondContact NE-O 3.18Å; R168-G178 VanDerWaalsContact NE-O 3.16Å; R168-G178 PolarHBondContact NH2-O 2.97Å; R168-A180 HydrophobicContact CG-CB 4.07Å; R168-N201 PolarHBondContact NH2-OD1 3.31Å
169T98Very high94.4Very high20 Ų2045.3 Ų45.312%0.12325%0.245CC..  trans-70.8167.5174.2730000111.8R140 I141 E171 M172R140-T169 PolarHBondContact NH1-O 3.49Å; I141-T169 HydrophobicContact CG1-CG2 4.34Å; I141-T169 WeakPolarHBondContact O-CA 3.4Å; T169-E171 PolarHBondContact O-N 2.73Å; T169-E171 PolarHBondContact OG1-N 2.82Å; T169-E171 PolarHBondContact OG1-OE2 3.31Å; T169-M172 HydrophobicContact CG2-SD 4.13Å; T169-M172 PolarHBondContact N-SD 2.9Å; T169-M172 VanDerWaalsContact N-SD 3.37Å; T169-M172 WeakPolarHBondContact O-CB 3Å; T169-M172 PolarHBondContact O-N 3.37Å; T169-M172 WeakPolarHBondContact OG1-CG 3.35Å; T169-M172 PolarHBondContact OG1-N 3.29Å
170R96.7Very high94.3Very high49 Ų4944.6 Ų44.619%0.18524%0.236CC..THydrogen-bonded Turntrans-56.9-36.1174.217417560.5-151.40.3112.5P100 A111 F112 D115 M172P100-R170 HydrophobicContact CB-CG 4.2Å; P100-R170 VanDerWaalsContact CB-O 3.3Å; P100-R170 WeakPolarHBondContact CB-O 3.26Å; A111-R170 HydrophobicContact CB-CB 3.96Å; A111-R170 HydrophobicContact CB-CG 3.79Å; A111-R170 WeakPolarHBondContact O-CD 3.36Å; A111-R170 PolarHBondContact O-NH1 3.02Å; F112-R170 HydrophobicContact CZ-CG 4.44Å; D115-R170 IonicContact OD2-CZ 3.89Å; D115-R170 IonicContact OD2-NH1 3.82Å; D115-R170 PolarHBondContact OD2-NH1 2.78Å; D115-R170 IonicContact OD2-NH2 2.75Å; R170-M172 VanDerWaalsContact C-N 3.28Å; R170-M172 PolarHBondContact O-N 3.42Å
171E95.9Very high94.3Very high104 Ų10447 Ų4749%0.48625%0.249SC..THydrogen-bonded Turntrans-73.5-24-177.1-63.964.7-137.700111.6T169 K173T169-E171 PolarHBondContact O-N 2.73Å; T169-E171 PolarHBondContact OG1-N 2.82Å; T169-E171 PolarHBondContact OG1-OE2 3.31Å; E171-K173 VanDerWaalsContact C-N 3.33Å; E171-K173 PolarHBondContact O-N 2.77Å
172M93.7Very high94.3Very high44 Ų4447.1 Ų47.122%0.21724%0.243CC..  trans-76.978.4176.9-69170.186.300111.7R140 R168 T169 R170 K176 T177 L179R140-M172 PolarHBondContact NH1-O 3.33Å; R168-M172 HydrophobicContact CB-CB 3.95Å; R168-M172 HydrophobicContact CB-CE 4.43Å; R168-M172 HydrophobicContact CB-SD 4.11Å; R168-M172 HydrophobicContact CG-CB 4.47Å; R168-M172 HydrophobicContact CG-CE 4.06Å; R168-M172 HydrophobicContact CG-SD 4.39Å; T169-M172 HydrophobicContact CG2-SD 4.13Å; T169-M172 PolarHBondContact N-SD 2.9Å; T169-M172 VanDerWaalsContact N-SD 3.37Å; T169-M172 WeakPolarHBondContact O-CB 3Å; T169-M172 PolarHBondContact O-N 3.37Å; T169-M172 WeakPolarHBondContact OG1-CG 3.35Å; T169-M172 PolarHBondContact OG1-N 3.29Å; R170-M172 VanDerWaalsContact C-N 3.28Å; R170-M172 PolarHBondContact O-N 3.42Å; M172-K176 WeakPolarHBondContact CA-O 3.12Å; M172-T177 WeakPolarHBondContact CE-O 3.49Å; M172-L179 WeakPolarHBondContact CE-O 3.32Å
173K90Very high94.3Very high76 Ų7653 Ų5333%0.3327%0.274SS..  trans-143.4158.817763.1171.2170.5-175.80112.2P100 E171 Q175 K176P100-K173 HydrophobicContact CB-CD 3.98Å; P100-K173 HydrophobicContact CG-CB 3.95Å; P100-K173 HydrophobicContact CG-CD 3.96Å; P100-K173 HydrophobicContact CG-CG 4.49Å; P100-K173 PolarHBondContact O-NZ 3.48Å; E171-K173 VanDerWaalsContact C-N 3.33Å; E171-K173 PolarHBondContact O-N 2.77Å; K173-Q175 PolarHBondContact O-N 2.89Å; K173-K176 PolarHBondContact O-N 3.39Å
174G84.8Confident94.2Very high41 Ų4153.4 Ų53.442%0.42328%0.276SS..G310 helixtrans62.4-121175.200000111.2K176 T177 R326G174-K176 VanDerWaalsContact C-N 3.29Å; G174-T177 PolarHBondContact N-OG1 3.21Å; G174-T177 PolarHBondContact O-OG1 3.21Å; G174-R326 PolarHBondContact O-NH1 3.13Å
175Q80.6Confident94.2Very high133 Ų13353.4 Ų53.462%0.62128%0.276SS*.G310 helixtrans-72.2-20.8176.1-70.6178.3-4200113.3K173 T177K173-Q175 PolarHBondContact O-N 2.89Å; Q175-T177 VanDerWaalsContact C-N 3.34Å
176K85.9Confident94.2Very high156 Ų15658 Ų5868%0.67829%0.293SS*.G310 helixtrans-95.920.3-179.5-58.7-175.1177.9-174.10112.8M172 K173 G174 G178M172-K176 WeakPolarHBondContact CA-O 3.12Å; K173-K176 PolarHBondContact O-N 3.39Å; G174-K176 VanDerWaalsContact C-N 3.29Å; K176-G178 VanDerWaalsContact C-N 3.31Å; K176-G178 PolarHBondContact O-N 3Å
177T85.2Confident94.2Very high31 Ų3158.2 Ų58.219%0.1930%0.298CS..  trans-61.6-38.4-167.9-62.60000112.6R168 M172 G174 Q175R168-T177 VanDerWaalsContact CD-O 3.29Å; R168-T177 WeakPolarHBondContact CD-O 3.5Å; R168-T177 PolarHBondContact NE-O 3Å; M172-T177 WeakPolarHBondContact CE-O 3.49Å; G174-T177 PolarHBondContact N-OG1 3.21Å; G174-T177 PolarHBondContact O-OG1 3.21Å; Q175-T177 VanDerWaalsContact C-N 3.34Å
178G90Very high94.3Very high37 Ų3758.2 Ų58.238%0.38130%0.298SS..  trans54.9-173.2178.700000114.9R168 K176R168-G178 PolarHBondContact NE-O 3.18Å; R168-G178 VanDerWaalsContact NE-O 3.16Å; R168-G178 PolarHBondContact NH2-O 2.97Å; K176-G178 VanDerWaalsContact C-N 3.31Å; K176-G178 PolarHBondContact O-N 3Å
179L94Very high94.3Very high133 Ų13358.1 Ų58.170%0.69630%0.299SS*.  trans-83.1144.4174.3-63.5179.4000110.5M172M172-L179 WeakPolarHBondContact CE-O 3.32Å
180A97.1Very high94.3Very high8 Ų863.2 Ų63.27%0.06632%0.321CS..  trans-69.9137167.100000111.3G167 R168 W182 N201G167-A180 CarbonylContact O-C 3.52Å; G167-A180 WeakPolarHBondContact O-CA 3.37Å; R168-A180 HydrophobicContact CG-CB 4.07Å; A180-W182 PolarHBondContact O-N 3.04Å; A180-N201 VanDerWaalsContact N-CG 3.34Å; A180-N201 PolarHBondContact N-ND2 3.4Å; A180-N201 PolarHBondContact N-OD1 3.42Å; A180-N201 PolarHBondContact O-ND2 3.17Å
181D98.4Very high94.4Very high56 Ų5662.3 Ų62.330%0.29932%0.324SS..  trans-83.5101174.9-175.5-15.2000109.8I141 G167 N183 Q184I141-D181 HydrophobicContact CD1-CB 3.85Å; G167-D181 PolarHBondContact O-N 3.47Å; D181-N183 VanDerWaalsContact C-N 3.33Å; D181-N183 WeakPolarHBondContact OD1-CA 3.37Å; D181-N183 WeakPolarHBondContact OD1-CB 3.39Å; D181-N183 PolarHBondContact OD1-N 2.81Å; D181-Q184 HydrophobicContact CB-CB 4.49Å; D181-Q184 PolarHBondContact OD1-N 2.94Å; D181-Q184 WeakPolarHBondContact OD2-CG 3.4Å; D181-Q184 PolarHBondContact OD2-NE2 3Å
182W98.7Very high94.6Very high41 Ų4157.8 Ų57.816%0.15530%0.304CS..Hα-helixtrans-74.8-21.8177.1-71.5-3.3000112.8A180 I185 R186 G200 N201 I202 Q210 C211 T215A180-W182 PolarHBondContact O-N 3.04Å; W182-I185 PolarHBondContact O-N 3.35Å; W182-R186 PolarHBondContact O-N 3.44Å; W182-G200 PolarHBondContact NE1-O 3.36Å; W182-N201 HydrophobicContact CZ2-CB 4.06Å; W182-I202 HydrophobicContact CZ2-CD1 3.98Å; W182-Q210 HydrophobicContact CH2-CB 4.19Å; W182-Q210 HydrophobicContact CZ3-CB 3.92Å; W182-C211 HydrophobicContact CD2-CB 4.34Å; W182-C211 HydrophobicContact CE3-CB 4.42Å; W182-C211 HydrophobicContact CH2-CB 3.67Å; W182-C211 HydrophobicContact CZ2-CB 3.56Å; W182-C211 HydrophobicContact CZ3-CB 4.11Å; W182-T215 HydrophobicContact CB-CG2 3.66Å; W182-T215 HydrophobicContact CD2-CG2 4.46Å; W182-T215 HydrophobicContact CG-CG2 3.87Å
183N98.6Very high94.8Very high124 Ų12465.1 Ų65.166%0.66333%0.334SS*.Hα-helixtrans-68.6-38.1176.4-65.6-33000110.8D181 R186 A187D181-N183 VanDerWaalsContact C-N 3.33Å; D181-N183 WeakPolarHBondContact OD1-CA 3.37Å; D181-N183 WeakPolarHBondContact OD1-CB 3.39Å; D181-N183 PolarHBondContact OD1-N 2.81Å; N183-R186 WeakPolarHBondContact O-CB 3.46Å; N183-R186 PolarHBondContact O-N 3.17Å; N183-A187 PolarHBondContact O-N 2.81Å
184Q98.7Very high95.2Very high9 Ų962.7 Ų62.74%0.04233%0.325CS..Hα-helixtrans-67.9-34.2172.7-77.8-161.261.600113.4I141 F142 V145 T148 D181 R186 A187 V188I141-Q184 HydrophobicContact CD1-CB 4.09Å; I141-Q184 HydrophobicContact CD1-CG 4.37Å; I141-Q184 HydrophobicContact CG2-CB 4.12Å; F142-Q184 PolarHBondContact O-NE2 2.93Å; F142-Q184 PolarHBondContact O-OE1 2.94Å; V145-Q184 HydrophobicContact CB-CG 4.35Å; V145-Q184 HydrophobicContact CG1-CG 4.18Å; V145-Q184 HydrophobicContact CG2-CG 3.77Å; T148-Q184 PolarHBondContact OG1-OE1 3.28Å; D181-Q184 HydrophobicContact CB-CB 4.49Å; D181-Q184 PolarHBondContact OD1-N 2.94Å; D181-Q184 WeakPolarHBondContact OD2-CG 3.4Å; D181-Q184 PolarHBondContact OD2-NE2 3Å; Q184-R186 VanDerWaalsContact C-N 3.31Å; Q184-A187 PolarHBondContact O-N 3.32Å; Q184-V188 WeakPolarHBondContact O-CG2 3.38Å; Q184-V188 PolarHBondContact O-N 2.94Å
185I98.9Very high95.9Very high0 Ų061 Ų610%031%0.306CS..Hα-helixtrans-63.9-42.2172.9-62.8167.5000109.9V165 W182 V188 K189 V196 A198 T215V165-I185 HydrophobicContact CB-CG1 4.08Å; V165-I185 HydrophobicContact CB-CG2 4.42Å; V165-I185 HydrophobicContact CG1-CG1 3.8Å; W182-I185 PolarHBondContact O-N 3.35Å; I185-V188 PolarHBondContact O-N 3.11Å; I185-K189 PolarHBondContact O-N 2.99Å; I185-V196 HydrophobicContact CG2-CG1 4.3Å; I185-A198 HydrophobicContact CD1-CB 4.28Å; I185-A198 HydrophobicContact CG2-CB 3.88Å; I185-T215 HydrophobicContact CB-CG2 3.9Å; I185-T215 HydrophobicContact CD1-CG2 4.47Å; I185-T215 HydrophobicContact CG2-CG2 3.83Å
186R98.9Very high96.8Very high97 Ų9754.6 Ų54.637%0.36628%0.277SS..Hα-helixtrans-58.8-48.8173.7-173.6-178.5174.2142.6-2.2112.1W182 N183 Q184 V188 K189 E190 S214 T215W182-R186 PolarHBondContact O-N 3.44Å; N183-R186 WeakPolarHBondContact O-CB 3.46Å; N183-R186 PolarHBondContact O-N 3.17Å; Q184-R186 VanDerWaalsContact C-N 3.31Å; R186-V188 VanDerWaalsContact C-N 3.26Å; R186-V188 PolarHBondContact O-N 3.39Å; R186-K189 PolarHBondContact O-N 2.82Å; R186-E190 HydrophobicContact CG-CG 4.37Å; R186-E190 IonicContact CZ-OE1 3.82Å; R186-E190 IonicContact NE-OE1 3.82Å; R186-E190 PolarHBondContact NE-OE1 3.06Å; R186-E190 IonicContact NH2-OE1 3.33Å; R186-E190 PolarHBondContact NH2-OE1 3.35Å; R186-E190 VanDerWaalsContact NH2-OE1 3.14Å; R186-E190 PolarHBondContact O-N 3.43Å; R186-S214 WeakPolarHBondContact CD-O 3.42Å; R186-T215 WeakPolarHBondContact CA-O 3.33Å
187A98.9Very high97.4Very high22 Ų2247.2 Ų47.218%0.18224%0.244CC..Hα-helixtrans-57.8-39.4178.400000111.9V145 V149 N183 Q184 A191V145-A187 HydrophobicContact CG1-CB 3.73Å; V149-A187 HydrophobicContact CG2-CB 4.02Å; N183-A187 PolarHBondContact O-N 2.81Å; Q184-A187 PolarHBondContact O-N 3.32Å; A187-A191 WeakPolarHBondContact O-CB 3.33Å; A187-A191 PolarHBondContact O-N 3.44Å
188V98.9Very high98Very high0 Ų045.7 Ų45.70%024%0.235CC..Hα-helixtrans-64.9-47.3172.41730000111.3T148 A152 L163 V165 Q184 I185 R186 E190 A191 V192 V196T148-V188 HydrophobicContact CG2-CG2 3.64Å; A152-V188 HydrophobicContact CB-CB 4.44Å; A152-V188 HydrophobicContact CB-CG1 3.59Å; A152-V188 HydrophobicContact CB-CG2 4.11Å; L163-V188 HydrophobicContact CD1-CG1 4.38Å; V165-V188 HydrophobicContact CG2-CB 4.3Å; V165-V188 HydrophobicContact CG2-CG1 3.85Å; Q184-V188 WeakPolarHBondContact O-CG2 3.38Å; Q184-V188 PolarHBondContact O-N 2.94Å; I185-V188 PolarHBondContact O-N 3.11Å; R186-V188 VanDerWaalsContact C-N 3.26Å; R186-V188 PolarHBondContact O-N 3.39Å; V188-E190 VanDerWaalsContact C-N 3.31Å; V188-E190 PolarHBondContact O-N 3.08Å; V188-A191 PolarHBondContact O-N 3.21Å; V188-V192 HydrophobicContact CG1-CG2 4.39Å; V188-V192 WeakPolarHBondContact O-CG2 3.41Å; V188-V192 PolarHBondContact O-N 3.11Å; V188-V192 VanDerWaalsContact O-N 3.12Å; V188-V196 HydrophobicContact CG1-CG2 4.27Å
189K98.8Very high98.4Very high39 Ų3944.3 Ų44.317%0.1722%0.219CC..Hα-helixtrans-61.6-36.8-178.7175.661.2-161.7173.80113.2I185 R186 A191 V196 K216 D218I185-K189 PolarHBondContact O-N 2.99Å; R186-K189 PolarHBondContact O-N 2.82Å; K189-A191 VanDerWaalsContact C-N 3.28Å; K189-V196 HydrophobicContact CB-CB 4.35Å; K189-V196 HydrophobicContact CB-CG2 4.34Å; K189-V196 HydrophobicContact CD-CB 3.9Å; K189-V196 HydrophobicContact CD-CG2 3.98Å; K189-K216 WeakPolarHBondContact CG-O 3.46Å; K189-D218 WeakPolarHBondContact CE-OD2 3.48Å; K189-D218 IonicContact NZ-OD1 3.54Å; K189-D218 PolarHBondContact NZ-OD1 2.98Å; K189-D218 IonicContact NZ-OD2 2.78Å; K189-D218 PolarHBondContact NZ-OD2 2.92Å
190E98.7Very high98.6Very high127 Ų12738.2 Ų38.259%0.59319%0.188SC*.Hα-helixtrans-72-24.2175.5-70.8174.5170.100112.3R186 V188R186-E190 HydrophobicContact CG-CG 4.37Å; R186-E190 IonicContact CZ-OE1 3.82Å; R186-E190 IonicContact NE-OE1 3.82Å; R186-E190 PolarHBondContact NE-OE1 3.06Å; R186-E190 IonicContact NH2-OE1 3.33Å; R186-E190 PolarHBondContact NH2-OE1 3.35Å; R186-E190 VanDerWaalsContact NH2-OE1 3.14Å; R186-E190 PolarHBondContact O-N 3.43Å; V188-E190 VanDerWaalsContact C-N 3.31Å; V188-E190 PolarHBondContact O-N 3.08Å
191A98.8Very high98.5Very high30 Ų3039.5 Ų39.525%0.24819%0.194CC..Hα-helixtrans-92.9-22.5-173.300000115.5V149 K153 A187 V188 K189V149-A191 HydrophobicContact CG1-CB 3.54Å; V149-A191 HydrophobicContact CG2-CB 4.39Å; K153-A191 WeakPolarHBondContact CE-O 3.37Å; A187-A191 WeakPolarHBondContact O-CB 3.33Å; A187-A191 PolarHBondContact O-N 3.44Å; V188-A191 PolarHBondContact O-N 3.21Å; K189-A191 VanDerWaalsContact C-N 3.28Å
192V98.8Very high98.5Very high9 Ų937.2 Ų37.26%0.05518%0.182CC..  trans-114.9154.7-179.1-53.80000111.2A152 K153 L163 V188 I194 V196A152-V192 HydrophobicContact CB-CG1 3.93Å; K153-V192 HydrophobicContact CG-CG1 4.41Å; L163-V192 HydrophobicContact CD1-CG1 4.46Å; V188-V192 HydrophobicContact CG1-CG2 4.39Å; V188-V192 WeakPolarHBondContact O-CG2 3.41Å; V188-V192 PolarHBondContact O-N 3.11Å; V188-V192 VanDerWaalsContact O-N 3.12Å; V192-I194 HydrophobicContact CB-CG1 4.14Å; V192-I194 HydrophobicContact CG2-CG1 3.93Å; V192-V196 HydrophobicContact CG2-CG2 3.62Å
193K98.4Very high98.3Very high198 Ų19837.4 Ų37.486%0.86118%0.184SC*.SBendtrans-93.8-28.6179.3-60.8178.7-177.5177.20112.5E156E156-K193 WeakPolarHBondContact OE1-CA 3.45Å; E156-K193 WeakPolarHBondContact OE1-CB 3.25Å; E156-K193 PolarHBondContact OE1-N 3.15Å
194I98.7Very high98.1Very high25 Ų2533.8 Ų33.813%0.12816%0.162CC..SBendtrans-64.2154.3174.457.8-179.8000112E156 A160 L163 V192E156-I194 HydrophobicContact CB-CD1 3.72Å; E156-I194 HydrophobicContact CB-CG1 4.32Å; E156-I194 HydrophobicContact CG-CD1 3.93Å; E156-I194 HydrophobicContact CG-CG1 4.14Å; E156-I194 HydrophobicContact CG-CG2 4.11Å; E156-I194 PolarHBondContact OE1-N 3.21Å; A160-I194 HydrophobicContact CB-CD1 4.43Å; A160-I194 VanDerWaalsContact O-CD1 3.24Å; A160-I194 WeakPolarHBondContact O-CD1 3.46Å; L163-I194 HydrophobicContact CD1-CD1 4.15Å; L163-I194 HydrophobicContact CD2-CD1 4.35Å; L163-I194 HydrophobicContact CG-CD1 3.72Å; V192-I194 HydrophobicContact CB-CG1 4.14Å; V192-I194 HydrophobicContact CG2-CG1 3.93Å
195P98.8Very high97.9Very high5 Ų535.4 Ų35.43%0.03217%0.17CC..  trans-60145.3176.221.2-31.5000112.2L3 L4 S161 M162 L163 D218L3-P195 HydrophobicContact CB-CG 4.07Å; L4-P195 HydrophobicContact CD1-CB 3.68Å; L4-P195 HydrophobicContact CG-CB 3.91Å; L4-P195 HydrophobicContact CG-CG 4.22Å; S161-P195 WeakPolarHBondContact O-CD 3.37Å; M162-P195 WeakPolarHBondContact CA-O 3.45Å; M162-P195 HydrophobicContact CB-CG 3.97Å; M162-P195 HydrophobicContact CG-CB 4.18Å; M162-P195 HydrophobicContact CG-CG 3.91Å; M162-P195 WeakPolarHBondContact CG-O 3.36Å; M162-P195 HydrophobicContact SD-CG 4.35Å; L163-P195 PolarHBondContact N-O 3.07Å; P195-D218 VanDerWaalsContact CA-OD2 3.25Å; P195-D218 WeakPolarHBondContact CA-OD2 3.5Å; P195-D218 HydrophobicContact CB-CB 4.27Å
196V98.9Very high97.8Very high0 Ų038.3 Ų38.30%019%0.191CC..EExtended strand (participates in β ladder)trans-120.5127.3177.2177.10000109.6L163 V165 I185 V188 K189 V192 A217 D218L163-V196 CarbonylContact O-C 3.58Å; L163-V196 VanDerWaalsContact O-CA 3.26Å; L163-V196 WeakPolarHBondContact O-CA 3.45Å; V165-V196 HydrophobicContact CG2-CG1 3.88Å; I185-V196 HydrophobicContact CG2-CG1 4.3Å; V188-V196 HydrophobicContact CG1-CG2 4.27Å; K189-V196 HydrophobicContact CB-CB 4.35Å; K189-V196 HydrophobicContact CB-CG2 4.34Å; K189-V196 HydrophobicContact CD-CB 3.9Å; K189-V196 HydrophobicContact CD-CG2 3.98Å; V192-V196 HydrophobicContact CG2-CG2 3.62Å; V196-A217 WeakPolarHBondContact O-CB 3.22Å; V196-D218 PolarHBondContact N-OD2 3.17Å; V196-D218 PolarHBondContact O-N 2.95Å
197I98.9Very high97.7Very high0 Ų035 Ų350%018%0.181CC..EExtended strand (participates in β ladder)trans-98.4120.2170.3-53-180000108.7V13 L36 M162 L163 T164 V165 A219 M221V13-I197 HydrophobicContact CB-CG2 4.4Å; V13-I197 HydrophobicContact CG1-CD1 4.39Å; V13-I197 HydrophobicContact CG2-CD1 4.12Å; V13-I197 HydrophobicContact CG2-CG2 4.09Å; L36-I197 HydrophobicContact CD2-CD1 4.01Å; M162-I197 HydrophobicContact CE-CD1 3.49Å; M162-I197 VanDerWaalsContact CE-CD1 3.49Å; M162-I197 HydrophobicContact CE-CG1 4.36Å; M162-I197 HydrophobicContact CG-CD1 4.41Å; M162-I197 HydrophobicContact CG-CG1 4.29Å; M162-I197 HydrophobicContact SD-CD1 3.45Å; M162-I197 WeakPolarHBondContact SD-CD1 3.46Å; M162-I197 HydrophobicContact SD-CG1 3.73Å; L163-I197 PolarHBondContact O-N 3.17Å; T164-I197 CarbonylContact C-O 3.48Å; T164-I197 WeakPolarHBondContact CA-O 3.25Å; T164-I197 HydrophobicContact CG2-CB 4.13Å; T164-I197 HydrophobicContact CG2-CG2 4.24Å; V165-I197 PolarHBondContact N-O 3.25Å; I197-A219 CarbonylContact C-O 3.54Å; I197-A219 WeakPolarHBondContact CA-O 3.43Å; I197-A219 HydrophobicContact CG1-CB 4.17Å; I197-A219 HydrophobicContact CG2-CB 4.39Å; I197-M221 HydrophobicContact CG2-CB 3.67Å
198A98.9Very high97.7Very high0 Ų034 Ų340%017%0.172CC..EExtended strand (participates in β ladder)trans-76.8135.717400000111.2I185 C211 T215 A217 A219 V220 M221I185-A198 HydrophobicContact CD1-CB 4.28Å; I185-A198 HydrophobicContact CG2-CB 3.88Å; A198-C211 WeakPolarHBondContact CB-SG 3.43Å; A198-T215 HydrophobicContact CB-CG2 4.28Å; A198-A217 HydrophobicContact CB-CB 3.7Å; A198-A219 PolarHBondContact N-O 3.25Å; A198-V220 CarbonylContact O-C 3.54Å; A198-V220 WeakPolarHBondContact O-CA 3.29Å; A198-M221 PolarHBondContact O-N 3.3Å
199N98.8Very high97.7Very high7 Ų738.3 Ų38.34%0.03719%0.192CC..EExtended strand (participates in β ladder)trans-135.3136176.3-179.1-130000112.2K138 T164 V165 H166 G167 M221K138-N199 PolarHBondContact NZ-OD1 2.79Å; T164-N199 HydrophobicContact CG2-CB 4.07Å; V165-N199 PolarHBondContact O-N 3Å; H166-N199 WeakPolarHBondContact CA-O 3.4Å; H166-N199 HydrophobicContact CB-CB 4.38Å; H166-N199 PolarHBondContact CD2-O 2.64Å; H166-N199 VanDerWaalsContact CD2-O 3.24Å; G167-N199 PolarHBondContact N-O 3.23Å; N199-M221 HydrophobicContact CB-CB 4.1Å; N199-M221 HydrophobicContact CB-SD 4.39Å; N199-M221 PolarHBondContact ND2-O 3.45Å
200G97.4Very high97.7Very high5 Ų541.6 Ų41.65%0.05221%0.208CC..SBendtrans118.9140.2175.200000112.7W182W182-G200 PolarHBondContact NE1-O 3.36Å
201N95.7Very high97.7Very high36 Ų3635.5 Ų35.519%0.19318%0.18CC..SBendtrans63.334.6-177.4-48.5-13.5000114.9R168 A180 W182R168-N201 PolarHBondContact NH2-OD1 3.31Å; A180-N201 VanDerWaalsContact N-CG 3.34Å; A180-N201 PolarHBondContact N-ND2 3.4Å; A180-N201 PolarHBondContact N-OD1 3.42Å; A180-N201 PolarHBondContact O-ND2 3.17Å; W182-N201 HydrophobicContact CZ2-CB 4.06Å
202I97.7Very high97.7Very high7 Ų735.5 Ų35.54%0.03618%0.175CC..  trans-109.999.9-180-51-61000109.8W182 D207 V208 C211 V220 S222 L232W182-I202 HydrophobicContact CZ2-CD1 3.98Å; I202-D207 HydrophobicContact CD1-CB 4.2Å; I202-V208 HydrophobicContact CG2-CG2 3.6Å; I202-C211 HydrophobicContact CD1-CB 3.59Å; I202-V220 HydrophobicContact CD1-CG2 3.52Å; I202-V220 HydrophobicContact CG1-CG2 3.54Å; I202-V220 HydrophobicContact CG2-CG2 4.29Å; I202-S222 PolarHBondContact O-OG 2.84Å; I202-L232 HydrophobicContact CG2-CD1 4.44Å; I202-L232 HydrophobicContact CG2-CD2 4.11Å
203Q94.3Very high97.7Very high45 Ų4540.1 Ų40.121%0.2120%0.199CC..  trans-120.6-30.2-174.4-57-73.526.800112.2D207 L232 P323Q203-D207 WeakPolarHBondContact CA-OD2 3.17Å; Q203-D207 WeakPolarHBondContact CB-OD2 3.43Å; Q203-D207 PolarHBondContact N-OD2 2.99Å; Q203-L232 WeakPolarHBondContact O-CD1 3.21Å; Q203-P323 HydrophobicContact CB-CB 3.86Å; Q203-P323 HydrophobicContact CB-CG 3.69Å; Q203-P323 HydrophobicContact CG-CB 4.35Å; Q203-P323 VanDerWaalsContact O-CG 3.28Å; Q203-P323 WeakPolarHBondContact O-CG 3.32Å
204Y93.8Very high97.7Very high48 Ų4833 Ų3319%0.18817%0.174CC..SBendtrans-129.9166177.8-65.5-81.7000111.8S206 D207 V208 H316 P323Y204-S206 WeakPolarHBondContact CB-OG 3.4Å; Y204-S206 PolarHBondContact O-N 2.62Å; Y204-D207 PolarHBondContact N-OD2 3.16Å; Y204-D207 WeakPolarHBondContact O-CB 3.46Å; Y204-D207 PolarHBondContact O-N 3.02Å; Y204-D207 VanDerWaalsContact O-N 3.14Å; Y204-V208 PolarHBondContact O-N 2.95Å; Y204-H316 AromaticContact CE1-NE2 3.88Å; Y204-P323 HydrophobicContact CD1-CG 4.31Å; Y204-P323 HydrophobicContact CD2-CG 4.08Å; Y204-P323 HydrophobicContact CE1-CG 3.89Å; Y204-P323 HydrophobicContact CE2-CB 4.41Å; Y204-P323 HydrophobicContact CE2-CG 3.62Å; Y204-P323 HydrophobicContact CG-CG 4.41Å; Y204-P323 VanDerWaalsContact CZ-CD 3.43Å; Y204-P323 WeakPolarHBondContact OH-CD 3.08Å
205L95.7Very high97.7Very high43 Ų4331.8 Ų31.823%0.22517%0.168CC..Hα-helixtrans-63-32172.9-175.664.5000112D207 V208 H209L205-D207 VanDerWaalsContact C-N 3.28Å; L205-D207 PolarHBondContact O-N 2.82Å; L205-V208 HydrophobicContact CD1-CB 4.29Å; L205-V208 HydrophobicContact CD1-CG1 4.43Å; L205-V208 VanDerWaalsContact O-CB 3.3Å; L205-V208 WeakPolarHBondContact O-CB 3.35Å; L205-V208 PolarHBondContact O-N 3.31Å; L205-V208 VanDerWaalsContact O-N 3.14Å; L205-H209 PolarHBondContact O-CD2 3.46Å; L205-H209 PolarHBondContact O-N 3.22Å; L205-H209 VanDerWaalsContact O-N 3.16Å
206S96.4Very high97.7Very high62 Ų6236.8 Ų36.843%0.43419%0.19SC..Hα-helixtrans-57.7-41.3171.651.40000112.2Y204 V208 H209 Q210Y204-S206 WeakPolarHBondContact CB-OG 3.4Å; Y204-S206 PolarHBondContact O-N 2.62Å; S206-V208 VanDerWaalsContact C-N 3.27Å; S206-V208 PolarHBondContact O-N 3.4Å; S206-H209 PolarHBondContact O-N 3.48Å; S206-Q210 WeakPolarHBondContact O-CB 3.42Å; S206-Q210 WeakPolarHBondContact O-CG 3.37Å; S206-Q210 PolarHBondContact O-N 2.91Å
207D97.3Very high97.7Very high28 Ų2837.2 Ų37.215%0.1519%0.193CC..Hα-helixtrans-66.6-33.5178.5-50.6-24.6000111.1I202 Q203 Y204 L205 C211I202-D207 HydrophobicContact CD1-CB 4.2Å; Q203-D207 WeakPolarHBondContact CA-OD2 3.17Å; Q203-D207 WeakPolarHBondContact CB-OD2 3.43Å; Q203-D207 PolarHBondContact N-OD2 2.99Å; Y204-D207 PolarHBondContact N-OD2 3.16Å; Y204-D207 WeakPolarHBondContact O-CB 3.46Å; Y204-D207 PolarHBondContact O-N 3.02Å; Y204-D207 VanDerWaalsContact O-N 3.14Å; L205-D207 VanDerWaalsContact C-N 3.28Å; L205-D207 PolarHBondContact O-N 2.82Å; D207-C211 WeakPolarHBondContact O-CA 3.07Å; D207-C211 WeakPolarHBondContact O-CB 3.41Å; D207-C211 PolarHBondContact O-N 2.8Å
208V98.4Very high97.7Very high0 Ų039.9 Ų39.90%021%0.207CC..Hα-helixtrans-60.4-50.8174.41670000110.1Y12 I202 Y204 L205 S206 C211 L212 V220 L232 F233Y12-V208 HydrophobicContact CD1-CG1 4.23Å; Y12-V208 HydrophobicContact CE1-CG1 3.74Å; I202-V208 HydrophobicContact CG2-CG2 3.6Å; Y204-V208 PolarHBondContact O-N 2.95Å; L205-V208 HydrophobicContact CD1-CB 4.29Å; L205-V208 HydrophobicContact CD1-CG1 4.43Å; L205-V208 VanDerWaalsContact O-CB 3.3Å; L205-V208 WeakPolarHBondContact O-CB 3.35Å; L205-V208 PolarHBondContact O-N 3.31Å; L205-V208 VanDerWaalsContact O-N 3.14Å; S206-V208 VanDerWaalsContact C-N 3.27Å; S206-V208 PolarHBondContact O-N 3.4Å; V208-C211 PolarHBondContact O-N 3.19Å; V208-L212 HydrophobicContact CG1-CD1 3.99Å; V208-L212 WeakPolarHBondContact O-CG 3.4Å; V208-L212 PolarHBondContact O-N 3.01Å; V208-V220 HydrophobicContact CB-CG1 4.2Å; V208-V220 HydrophobicContact CG1-CG1 3.57Å; V208-V220 HydrophobicContact CG2-CG1 3.99Å; V208-L232 HydrophobicContact CG2-CD2 3.89Å; V208-F233 HydrophobicContact CG2-CD1 3.95Å; V208-F233 HydrophobicContact CG2-CE1 3.79Å
209H98.3Very high97.7Very high90 Ų9039.9 Ų39.942%0.41721%0.207SC..Hα-helixtrans-62.3-51178.6-63.5-53.7000111.5L205 S206 C211 L212 D213L205-H209 PolarHBondContact O-CD2 3.46Å; L205-H209 PolarHBondContact O-N 3.22Å; L205-H209 VanDerWaalsContact O-N 3.16Å; S206-H209 PolarHBondContact O-N 3.48Å; H209-C211 VanDerWaalsContact C-N 3.3Å; H209-C211 PolarHBondContact O-N 2.99Å; H209-L212 PolarHBondContact O-N 2.92Å; H209-D213 WeakPolarHBondContact O-CB 3.47Å; H209-D213 VanDerWaalsContact O-CG 3.31Å; H209-D213 PolarHBondContact O-N 3.25Å
210Q98.6Very high97.7Very high108 Ų10839.5 Ų39.551%0.50521%0.205SC..Hα-helixtrans-59.1-39.9178.3-69.9175.8-0.600112.6W182 S206 S214W182-Q210 HydrophobicContact CH2-CB 4.19Å; W182-Q210 HydrophobicContact CZ3-CB 3.92Å; S206-Q210 WeakPolarHBondContact O-CB 3.42Å; S206-Q210 WeakPolarHBondContact O-CG 3.37Å; S206-Q210 PolarHBondContact O-N 2.91Å; Q210-S214 WeakPolarHBondContact O-CB 3.23Å; Q210-S214 PolarHBondContact O-N 3.45Å; Q210-S214 PolarHBondContact O-OG 3.23Å
211C98.8Very high97.7Very high0 Ų039.3 Ų39.30%020%0.203CC..Hα-helixtrans-64.6-49.7177.7-178.50000111.1W182 A198 I202 D207 V208 H209 D213 S214 T215 V220W182-C211 HydrophobicContact CD2-CB 4.34Å; W182-C211 HydrophobicContact CE3-CB 4.42Å; W182-C211 HydrophobicContact CH2-CB 3.67Å; W182-C211 HydrophobicContact CZ2-CB 3.56Å; W182-C211 HydrophobicContact CZ3-CB 4.11Å; A198-C211 WeakPolarHBondContact CB-SG 3.43Å; I202-C211 HydrophobicContact CD1-CB 3.59Å; D207-C211 WeakPolarHBondContact O-CA 3.07Å; D207-C211 WeakPolarHBondContact O-CB 3.41Å; D207-C211 PolarHBondContact O-N 2.8Å; V208-C211 PolarHBondContact O-N 3.19Å; H209-C211 VanDerWaalsContact C-N 3.3Å; H209-C211 PolarHBondContact O-N 2.99Å; C211-D213 VanDerWaalsContact C-N 3.32Å; C211-D213 PolarHBondContact O-N 2.87Å; C211-S214 PolarHBondContact O-N 3.23Å; C211-T215 VanDerWaalsContact O-CB 3.27Å; C211-T215 WeakPolarHBondContact O-CB 3.27Å; C211-T215 VanDerWaalsContact O-CG2 3.28Å; C211-T215 WeakPolarHBondContact O-CG2 3.31Å; C211-T215 PolarHBondContact O-N 3.42Å; C211-T215 PolarHBondContact O-OG1 3.28Å; C211-V220 HydrophobicContact CB-CG2 4.4Å
212L98.7Very high97.9Very high30 Ų3037.6 Ų37.616%0.15719%0.194CC..Hα-helixtrans-62.6-41.4178.8-69.5170.7000111V208 H209 K216 A217 V220V208-L212 HydrophobicContact CG1-CD1 3.99Å; V208-L212 WeakPolarHBondContact O-CG 3.4Å; V208-L212 PolarHBondContact O-N 3.01Å; H209-L212 PolarHBondContact O-N 2.92Å; L212-K216 VanDerWaalsContact O-CA 3.26Å; L212-K216 WeakPolarHBondContact O-CA 3.37Å; L212-K216 PolarHBondContact O-N 3.22Å; L212-A217 WeakPolarHBondContact CD2-O 3.48Å; L212-V220 HydrophobicContact CD2-CB 4.33Å
213D98.7Very high97.9Very high105 Ų10538.6 Ų38.656%0.56120%0.203SC*.Hα-helixtrans-65.3-41.3177.9-73.5-24000112.6H209 C211 K216H209-D213 WeakPolarHBondContact O-CB 3.47Å; H209-D213 VanDerWaalsContact O-CG 3.31Å; H209-D213 PolarHBondContact O-N 3.25Å; C211-D213 VanDerWaalsContact C-N 3.32Å; C211-D213 PolarHBondContact O-N 2.87Å; D213-K216 WeakPolarHBondContact O-CD 3.35Å; D213-K216 WeakPolarHBondContact O-CE 3.43Å; D213-K216 PolarHBondContact O-NZ 3.27Å
214S98.5Very high97.9Very high48 Ų4841.2 Ų41.234%0.33622%0.215SC..Hα-helixtrans-77-43.3-177.5-57.20000112.4R186 Q210 C211R186-S214 WeakPolarHBondContact CD-O 3.42Å; Q210-S214 WeakPolarHBondContact O-CB 3.23Å; Q210-S214 PolarHBondContact O-N 3.45Å; Q210-S214 PolarHBondContact O-OG 3.23Å; C211-S214 PolarHBondContact O-N 3.23Å
215T98.7Very high98Very high0 Ų039 Ų390%021%0.208CC..Hα-helixtrans-87.6-22.9-17464.10000113.6W182 I185 R186 A198 C211 A217W182-T215 HydrophobicContact CB-CG2 3.66Å; W182-T215 HydrophobicContact CD2-CG2 4.46Å; W182-T215 HydrophobicContact CG-CG2 3.87Å; I185-T215 HydrophobicContact CB-CG2 3.9Å; I185-T215 HydrophobicContact CD1-CG2 4.47Å; I185-T215 HydrophobicContact CG2-CG2 3.83Å; R186-T215 WeakPolarHBondContact CA-O 3.33Å; A198-T215 HydrophobicContact CB-CG2 4.28Å; C211-T215 VanDerWaalsContact O-CB 3.27Å; C211-T215 WeakPolarHBondContact O-CB 3.27Å; C211-T215 VanDerWaalsContact O-CG2 3.28Å; C211-T215 WeakPolarHBondContact O-CG2 3.31Å; C211-T215 PolarHBondContact O-N 3.42Å; C211-T215 PolarHBondContact O-OG1 3.28Å; T215-A217 PolarHBondContact O-N 2.75Å; T215-A217 VanDerWaalsContact O-N 3.11Å; T215-A217 VanDerWaalsContact OG1-CB 3.25Å; T215-A217 WeakPolarHBondContact OG1-CB 3.23Å; T215-A217 PolarHBondContact OG1-N 2.92Å
216K98.7Very high98.1Very high111 Ų11137 Ų3748%0.48320%0.197SC..  trans55.717.6-167.5-52.4-53.3-173.5-162.80114K189 L212 D213K189-K216 WeakPolarHBondContact CG-O 3.46Å; L212-K216 VanDerWaalsContact O-CA 3.26Å; L212-K216 WeakPolarHBondContact O-CA 3.37Å; L212-K216 PolarHBondContact O-N 3.22Å; D213-K216 WeakPolarHBondContact O-CD 3.35Å; D213-K216 WeakPolarHBondContact O-CE 3.43Å; D213-K216 PolarHBondContact O-NZ 3.27Å
217A98.8Very high98.2Very high9 Ų934.5 Ų34.57%0.07418%0.179CC..  trans-62.1153.9175.500000111.2V196 A198 L212 T215V196-A217 WeakPolarHBondContact O-CB 3.22Å; A198-A217 HydrophobicContact CB-CB 3.7Å; L212-A217 WeakPolarHBondContact CD2-O 3.48Å; T215-A217 PolarHBondContact O-N 2.75Å; T215-A217 VanDerWaalsContact O-N 3.11Å; T215-A217 VanDerWaalsContact OG1-CB 3.25Å; T215-A217 WeakPolarHBondContact OG1-CB 3.23Å; T215-A217 PolarHBondContact OG1-N 2.92Å
218D98.7Very high98.2Very high55 Ų5533.4 Ų33.429%0.29417%0.172SC..SBendtrans-78.5-26.1-175.3-49.5-88.6000112.2L4 K189 P195 V196L4-D218 HydrophobicContact CD1-CB 3.61Å; K189-D218 WeakPolarHBondContact CE-OD2 3.48Å; K189-D218 IonicContact NZ-OD1 3.54Å; K189-D218 PolarHBondContact NZ-OD1 2.98Å; K189-D218 IonicContact NZ-OD2 2.78Å; K189-D218 PolarHBondContact NZ-OD2 2.92Å; P195-D218 VanDerWaalsContact CA-OD2 3.25Å; P195-D218 WeakPolarHBondContact CA-OD2 3.5Å; P195-D218 HydrophobicContact CB-CB 4.27Å; V196-D218 PolarHBondContact N-OD2 3.17Å; V196-D218 PolarHBondContact O-N 2.95Å
219A98.9Very high98.2Very high0 Ų033.6 Ų33.60%017%0.173CC..EExtended strand (participates in β ladder)trans-150.8169.2176.600000111.4L4 P10 K11 V13 I197 A198L4-A219 HydrophobicContact CD1-CB 4.1Å; P10-A219 WeakPolarHBondContact O-CB 3.39Å; K11-A219 WeakPolarHBondContact O-CA 3.35Å; K11-A219 WeakPolarHBondContact O-CB 3.44Å; V13-A219 HydrophobicContact CG2-CB 3.99Å; I197-A219 CarbonylContact C-O 3.54Å; I197-A219 WeakPolarHBondContact CA-O 3.43Å; I197-A219 HydrophobicContact CG1-CB 4.17Å; I197-A219 HydrophobicContact CG2-CB 4.39Å; A198-A219 PolarHBondContact N-O 3.25Å
220V98.9Very high98.2Very high0 Ų029.3 Ų29.30%015%0.154CC..EExtended strand (participates in β ladder)trans-127.7140.3179.8670000111.4K11 Y12 V13 A198 I202 V208 C211 L212 F233K11-V220 PolarHBondContact O-N 2.89Å; Y12-V220 HydrophobicContact CD1-CG1 4.28Å; V13-V220 VanDerWaalsContact CB-O 3.31Å; V13-V220 WeakPolarHBondContact CB-O 3.49Å; V13-V220 WeakPolarHBondContact CG2-O 3.18Å; V13-V220 PolarHBondContact N-O 2.85Å; A198-V220 CarbonylContact O-C 3.54Å; A198-V220 WeakPolarHBondContact O-CA 3.29Å; I202-V220 HydrophobicContact CD1-CG2 3.52Å; I202-V220 HydrophobicContact CG1-CG2 3.54Å; I202-V220 HydrophobicContact CG2-CG2 4.29Å; V208-V220 HydrophobicContact CB-CG1 4.2Å; V208-V220 HydrophobicContact CG1-CG1 3.57Å; V208-V220 HydrophobicContact CG2-CG1 3.99Å; C211-V220 HydrophobicContact CB-CG2 4.4Å; L212-V220 HydrophobicContact CD2-CB 4.33Å; V220-F233 HydrophobicContact CG1-CE1 4.01Å
221M98.9Very high98.1Very high0 Ų024.1 Ų24.10%013%0.13CC..EExtended strand (participates in β ladder)trans-114.5125.2179.4178.6-174.2-73.900111.5V13 A15 F38 K138 T164 I197 A198 N199V13-M221 HydrophobicContact CB-CB 4Å; V13-M221 HydrophobicContact CB-CG 4.38Å; V13-M221 HydrophobicContact CG1-CB 4.28Å; V13-M221 HydrophobicContact CG1-CE 3.66Å; V13-M221 HydrophobicContact CG1-CG 4.26Å; V13-M221 VanDerWaalsContact O-CA 3.27Å; V13-M221 WeakPolarHBondContact O-CA 3.36Å; A15-M221 VanDerWaalsContact CA-SD 3.58Å; A15-M221 HydrophobicContact CB-CG 3.59Å; A15-M221 HydrophobicContact CB-SD 3.56Å; A15-M221 VanDerWaalsContact CB-SD 3.56Å; F38-M221 HydrophobicContact CD2-CE 3.88Å; F38-M221 HydrophobicContact CE2-CE 3.52Å; F38-M221 HydrophobicContact CZ-CE 3.87Å; K138-M221 HydrophobicContact CD-SD 4.36Å; K138-M221 WeakPolarHBondContact CE-SD 3.36Å; T164-M221 HydrophobicContact CG2-CE 3.65Å; T164-M221 HydrophobicContact CG2-SD 3.76Å; I197-M221 HydrophobicContact CG2-CB 3.67Å; A198-M221 PolarHBondContact O-N 3.3Å; N199-M221 HydrophobicContact CB-CB 4.1Å; N199-M221 HydrophobicContact CB-SD 4.39Å; N199-M221 PolarHBondContact ND2-O 3.45Å
222S98.7Very high98Very high1 Ų124.2 Ų24.21%0.00713%0.13CC..EExtended strand (participates in β ladder)trans-103.9143.3169.6-171.20000111.6V13 A15 I202 H226V13-S222 PolarHBondContact O-N 3.44Å; A15-S222 VanDerWaalsContact CB-O 3.23Å; A15-S222 WeakPolarHBondContact CB-O 3.24Å; A15-S222 PolarHBondContact N-O 2.82Å; I202-S222 PolarHBondContact O-OG 2.84Å; S222-H226 PolarHBondContact OG-N 3.29Å
223A97.3Very high97.9Very high27 Ų2723 Ų2322%0.22312%0.124CC..SBendtrans-119.2-95178.700000110A15 M17 G225 H226 L227A15-A223 HydrophobicContact CB-CB 3.57Å; M17-A223 HydrophobicContact CG-CB 4.45Å; M17-A223 VanDerWaalsContact SD-C 3.6Å; M17-A223 HydrophobicContact SD-CB 3.78Å; A223-G225 VanDerWaalsContact C-N 3.29Å; A223-G225 PolarHBondContact O-N 3.27Å; A223-H226 PolarHBondContact O-N 2.94Å; A223-L227 PolarHBondContact O-N 2.8Å
224E95.1Very high97.8Very high101 Ų10122.3 Ų22.347%0.47212%0.119SC..Hα-helixtrans-60.7-33.3-177.6-71.9-76.4174.800113.4L227 H228 K267E224-L227 WeakPolarHBondContact O-CB 3.24Å; E224-L227 PolarHBondContact O-N 2.78Å; E224-H228 PolarHBondContact O-ND1 3.42Å; E224-H228 IonicContact OE2-CE1 3.6Å; E224-K267 IonicContact OE1-NZ 3.74Å; E224-K267 IonicContact OE2-NZ 3.94Å; E224-K267 PolarHBondContact OE2-NZ 3.21Å
225G95.9Very high97.6Very high2 Ų222 Ų222%0.02112%0.124CC..Hα-helixtrans-62.5-46.7176.300000112.6A223 L227 H228 N229A223-G225 VanDerWaalsContact C-N 3.29Å; A223-G225 PolarHBondContact O-N 3.27Å; G225-L227 PolarHBondContact O-N 3.14Å; G225-H228 PolarHBondContact O-N 3.38Å; G225-N229 PolarHBondContact O-N 3.3Å
226H98.4Very high97.3Very high0 Ų025.9 Ų25.90%014%0.144CC..Hα-helixtrans-60-32175.2-166.1-60.6000112.8L14 W25 V34 S222 A223 H228 N229 P230 F233L14-H226 HydrophobicContact CD1-CB 4.13Å; W25-H226 WeakPolarHBondContact CZ2-O 3.18Å; W25-H226 AromaticContact NE1-CE1 3.8Å; W25-H226 AromaticContact NE1-ND1 3.41Å; W25-H226 PolarHBondContact NE1-ND1 2.89Å; V34-H226 WeakPolarHBondContact CG2-NE2 3.46Å; S222-H226 PolarHBondContact OG-N 3.29Å; A223-H226 PolarHBondContact O-N 2.94Å; H226-H228 PolarHBondContact O-N 3.4Å; H226-N229 WeakPolarHBondContact CA-O 3.5Å; H226-N229 CarbonylContact O-C 3.5Å; H226-N229 PolarHBondContact O-N 2.93Å; H226-P230 PolarHBondContact NE2-O 2.93Å; H226-F233 AromaticContact CD2-CE2 3.98Å
227L98.3Very high97.1Very high10 Ų1023.4 Ų23.45%0.05213%0.134CC..Hα-helixtrans-65.2-24.1175.8-68.5-176.7000113.7M17 G20 W25 A223 E224 G225 K267M17-L227 HydrophobicContact CE-CD1 4.46Å; M17-L227 HydrophobicContact CE-CD2 3.98Å; M17-L227 HydrophobicContact CE-CG 4.04Å; M17-L227 HydrophobicContact SD-CD1 3.85Å; M17-L227 HydrophobicContact SD-CD2 4.45Å; M17-L227 HydrophobicContact SD-CG 4.01Å; G20-L227 WeakPolarHBondContact O-CD2 3.27Å; W25-L227 HydrophobicContact CD2-CD2 4.34Å; W25-L227 HydrophobicContact CZ2-CD2 3.8Å; A223-L227 PolarHBondContact O-N 2.8Å; E224-L227 WeakPolarHBondContact O-CB 3.24Å; E224-L227 PolarHBondContact O-N 2.78Å; G225-L227 PolarHBondContact O-N 3.14Å; L227-K267 HydrophobicContact CB-CB 4.16Å; L227-K267 HydrophobicContact CB-CD 4.26Å; L227-K267 HydrophobicContact CB-CG 4.21Å; L227-K267 VanDerWaalsContact O-CB 3.25Å; L227-K267 WeakPolarHBondContact O-CB 3.45Å
228H97.8Very high96.7Very high4 Ų424.2 Ų24.22%0.01914%0.138CC..Hα-helixtrans-100.1-22.9177.3-57.782.9000112.4E224 G225 H226 K267 H270 Q322 Y324E224-H228 PolarHBondContact O-ND1 3.42Å; E224-H228 IonicContact OE2-CE1 3.6Å; G225-H228 PolarHBondContact O-N 3.38Å; H226-H228 PolarHBondContact O-N 3.4Å; H228-K267 PolarHBondContact CD2-O 3.46Å; H228-K267 WeakPolarHBondContact NE2-CD 3.34Å; H228-H270 AromaticContact NE2-ND1 3.79Å; H228-Q322 WeakPolarHBondContact CB-O 3.44Å; H228-Y324 VanDerWaalsContact NE2-CB 3.31Å; H228-Y324 WeakPolarHBondContact NE2-CB 3.41Å
229N97.2Very high96.6Very high4 Ų423.1 Ų23.12%0.02114%0.135CC..  trans-141.997.8171.6-175.96.3000111.2G225 H226 A231 L232 I236 C321G225-N229 PolarHBondContact O-N 3.3Å; H226-N229 WeakPolarHBondContact CA-O 3.5Å; H226-N229 CarbonylContact O-C 3.5Å; H226-N229 PolarHBondContact O-N 2.93Å; N229-A231 PolarHBondContact O-N 3.28Å; N229-A231 WeakPolarHBondContact OD1-CA 3.31Å; N229-A231 PolarHBondContact OD1-N 3.14Å; N229-L232 WeakPolarHBondContact O-CB 3.48Å; N229-L232 PolarHBondContact O-N 3.16Å; N229-I236 PolarHBondContact ND2-O 3.41Å; N229-C321 HydrophobicContact CB-CB 3.9Å
230P98.3Very high96.5Very high0 Ų023.2 Ų23.20%014%0.135CC..THydrogen-bonded Turntrans-61.4-20.4174.8-23.934.1000114.3W25 L28 Y32 H226 M243 L268W25-P230 HydrophobicContact CH2-CG 3.77Å; W25-P230 HydrophobicContact CZ2-CG 3.78Å; L28-P230 HydrophobicContact CD2-CB 3.89Å; L28-P230 HydrophobicContact CD2-CG 3.7Å; L28-P230 HydrophobicContact CG-CB 4.06Å; L28-P230 HydrophobicContact CG-CG 4.41Å; Y32-P230 WeakPolarHBondContact CB-O 3.35Å; H226-P230 PolarHBondContact NE2-O 2.93Å; P230-M243 HydrophobicContact CB-SD 4.29Å; P230-M243 HydrophobicContact CG-SD 4.2Å; P230-L268 HydrophobicContact CG-CD2 3.82Å
231A96.5Very high96.4Very high0 Ų023.6 Ų23.60%014%0.137CC..THydrogen-bonded Turntrans-97.516.9179.400000114.5Y32 N229 F233 L234 G235 I236 P238 M243Y32-A231 HydrophobicContact CD1-CB 3.63Å; Y32-A231 HydrophobicContact CE1-CB 4.38Å; Y32-A231 HydrophobicContact CG-CB 4.03Å; N229-A231 PolarHBondContact O-N 3.28Å; N229-A231 WeakPolarHBondContact OD1-CA 3.31Å; N229-A231 PolarHBondContact OD1-N 3.14Å; A231-F233 PolarHBondContact O-N 3.37Å; A231-L234 PolarHBondContact O-N 2.75Å; A231-G235 PolarHBondContact O-N 2.86Å; A231-I236 HydrophobicContact CB-CD1 4.13Å; A231-I236 HydrophobicContact CB-CG1 3.61Å; A231-P238 HydrophobicContact CB-CG 3.81Å; A231-M243 HydrophobicContact CB-CE 3.91Å
232L96.6Very high96.2Very high2 Ų228.4 Ų28.41%0.0116%0.162CC..G310 helixtrans-48.7-45.2176.3178.7162.7000112.2I202 Q203 V208 N229 L234 G235I202-L232 HydrophobicContact CG2-CD1 4.44Å; I202-L232 HydrophobicContact CG2-CD2 4.11Å; Q203-L232 WeakPolarHBondContact O-CD1 3.21Å; V208-L232 HydrophobicContact CG2-CD2 3.89Å; N229-L232 WeakPolarHBondContact O-CB 3.48Å; N229-L232 PolarHBondContact O-N 3.16Å; L232-L234 VanDerWaalsContact C-N 3.26Å; L232-L234 PolarHBondContact O-N 2.98Å; L232-G235 PolarHBondContact O-N 3.48Å
233F98.1Very high96.2Very high5 Ų528.4 Ų28.42%0.02216%0.162CC..G310 helixtrans-74.2-13.2-176.4-67.9-57000114.4Y12 V34 V208 V220 H226 A231Y12-F233 AromaticContact CD1-CD1 3.62Å; Y12-F233 HydrophobicContact CD1-CD1 3.62Å; Y12-F233 AromaticContact CD1-CE1 3.98Å; Y12-F233 HydrophobicContact CD1-CE1 3.98Å; Y12-F233 HydrophobicContact CD1-CG 4.3Å; Y12-F233 HydrophobicContact CD2-CB 3.81Å; Y12-F233 HydrophobicContact CD2-CD1 4.26Å; Y12-F233 HydrophobicContact CD2-CG 4.16Å; Y12-F233 HydrophobicContact CE1-CD1 4.38Å; Y12-F233 HydrophobicContact CE2-CB 4.41Å; Y12-F233 HydrophobicContact CG-CB 3.95Å; Y12-F233 AromaticContact CG-CD1 3.57Å; Y12-F233 HydrophobicContact CG-CD1 3.57Å; Y12-F233 HydrophobicContact CG-CD2 4.46Å; Y12-F233 HydrophobicContact CG-CE1 4.13Å; Y12-F233 AromaticContact CG-CG 3.77Å; Y12-F233 HydrophobicContact CG-CG 3.77Å; V34-F233 HydrophobicContact CG2-CD2 3.81Å; V34-F233 HydrophobicContact CG2-CE2 3.98Å; V208-F233 HydrophobicContact CG2-CD1 3.95Å; V208-F233 HydrophobicContact CG2-CE1 3.79Å; V220-F233 HydrophobicContact CG1-CE1 4.01Å; H226-F233 AromaticContact CD2-CE2 3.98Å; A231-F233 PolarHBondContact O-N 3.37Å
234L96.7Very high96.3Very high89 Ų8927.1 Ų27.147%0.46615%0.151SC..G310 helixtrans-92.3-4.6168.8-62.6-175.6000112.5Y32 A231 L232 I236Y32-L234 HydrophobicContact CD1-CD1 4.07Å; A231-L234 PolarHBondContact O-N 2.75Å; L232-L234 VanDerWaalsContact C-N 3.26Å; L232-L234 PolarHBondContact O-N 2.98Å; L234-I236 HydrophobicContact CB-CD1 4.34Å; L234-I236 HydrophobicContact CB-CG1 4.03Å; L234-I236 HydrophobicContact CD1-CD1 4.36Å; L234-I236 PolarHBondContact O-N 3.18Å
235G93.1Very high96.4Very high42 Ų4224.4 Ų24.443%0.43314%0.138SC..THydrogen-bonded Turntrans69.817.7-179.800000114.6A231 L232A231-G235 PolarHBondContact O-N 2.86Å; L232-G235 PolarHBondContact O-N 3.48Å
236I93.5Very high96.6Very high82 Ų8225.9 Ų25.942%0.42115%0.145SC..  trans-111.8161.8-179.863.7175.5000111.3N229 A231 L234 P238N229-I236 PolarHBondContact ND2-O 3.41Å; A231-I236 HydrophobicContact CB-CD1 4.13Å; A231-I236 HydrophobicContact CB-CG1 3.61Å; L234-I236 HydrophobicContact CB-CD1 4.34Å; L234-I236 HydrophobicContact CB-CG1 4.03Å; L234-I236 HydrophobicContact CD1-CD1 4.36Å; L234-I236 PolarHBondContact O-N 3.18Å; I236-P238 HydrophobicContact CD1-CG 3.81Å; I236-P238 HydrophobicContact CG1-CG 3.84Å
237Q93.1Very high96.6Very high58 Ų5825.9 Ų25.927%0.27115%0.145SC..  trans-126.776.4-177.8-65.8158.4-1000109.4H316 L320 C321Q237-H316 PolarHBondContact NE2-CE1 2.96Å; Q237-H316 VanDerWaalsContact NE2-CE1 3.3Å; Q237-H316 PolarHBondContact NE2-NE2 3.41Å; Q237-H316 PolarHBondContact OE1-CE1 3.29Å; Q237-H316 PolarHBondContact OE1-ND1 3.24Å; Q237-L320 HydrophobicContact CB-CB 4.43Å; Q237-C321 VanDerWaalsContact CB-O 3.3Å; Q237-C321 WeakPolarHBondContact CB-O 3.33Å; Q237-C321 WeakPolarHBondContact CG-O 3.12Å
238P91.1Very high96.6Very high26 Ų2625.4 Ų25.417%0.16914%0.142CC..  trans-68165.3-173.4-25.742.1000111.9A231 I236 I240 M243 C321A231-P238 HydrophobicContact CB-CG 3.81Å; I236-P238 HydrophobicContact CD1-CG 3.81Å; I236-P238 HydrophobicContact CG1-CG 3.84Å; P238-I240 PolarHBondContact O-N 3.37Å; P238-M243 HydrophobicContact CB-CE 3.48Å; P238-M243 VanDerWaalsContact CB-CE 3.48Å; P238-M243 HydrophobicContact CB-CG 4.17Å; P238-M243 HydrophobicContact CG-CE 3.33Å; P238-C321 WeakPolarHBondContact O-CB 3.37Å; P238-C321 PolarHBondContact O-N 3.33Å; P238-C321 PolarHBondContact O-SG 3.45Å
239C95.6Very high96.6Very high33 Ų3329.3 Ų29.322%0.22316%0.163CC..BIsolated β-bridgetrans-58130.8172.7179.50000110.4Y241 D242 M243 W319C239-Y241 PolarHBondContact O-N 3.48Å; C239-D242 HydrophobicContact CB-CB 4.27Å; C239-D242 WeakPolarHBondContact CB-OD2 3.21Å; C239-D242 PolarHBondContact O-N 3.06Å; C239-M243 PolarHBondContact O-N 3.37Å; C239-M243 VanDerWaalsContact O-N 3.15Å; C239-W319 CarbonylContact C-O 3.58Å; C239-W319 WeakPolarHBondContact CA-O 3.14Å
240I97.1Very high96.7Very high1 Ų130.6 Ų30.61%0.00517%0.17CC..Hα-helixtrans-63.8-30.6-179.158122.1000112.2P238 C244 L268 C269 A272 W319P238-I240 PolarHBondContact O-N 3.37Å; I240-C244 WeakPolarHBondContact O-CB 3.32Å; I240-C244 PolarHBondContact O-N 3.49Å; I240-C244 PolarHBondContact O-SG 2.9Å; I240-L268 WeakPolarHBondContact CG2-O 3.06Å; I240-C269 HydrophobicContact CD1-CB 4.25Å; I240-A272 HydrophobicContact CD1-CB 3.64Å; I240-W319 VanDerWaalsContact CG1-O 3.29Å; I240-W319 WeakPolarHBondContact CG1-O 3.33Å; I240-W319 PolarHBondContact N-O 3.18Å
241Y97.3Very high96.7Very high9 Ų930.9 Ų30.94%0.03517%0.171CC..Hα-helixtrans-70.2-46.3179.6-59-66000111.1C239 M243 C244 F245 L296 M299 A300 C303 W319C239-Y241 PolarHBondContact O-N 3.48Å; Y241-M243 VanDerWaalsContact C-N 3.29Å; Y241-M243 PolarHBondContact O-N 3.14Å; Y241-C244 PolarHBondContact O-N 2.92Å; Y241-C244 VanDerWaalsContact O-N 3.1Å; Y241-F245 WeakPolarHBondContact O-CD2 3.4Å; Y241-F245 WeakPolarHBondContact O-CG 3.3Å; Y241-F245 PolarHBondContact O-N 3.5Å; Y241-L296 HydrophobicContact CD1-CD2 4.42Å; Y241-M299 HydrophobicContact CD1-CB 4.48Å; Y241-M299 HydrophobicContact CE1-CB 3.5Å; Y241-M299 VanDerWaalsContact CE1-CB 3.5Å; Y241-M299 HydrophobicContact CE1-CE 4.36Å; Y241-M299 PolarHBondContact OH-O 2.75Å; Y241-A300 HydrophobicContact CD1-CB 3.92Å; Y241-A300 HydrophobicContact CD2-CB 3.9Å; Y241-A300 HydrophobicContact CE1-CB 4.31Å; Y241-A300 HydrophobicContact CE2-CB 4.29Å; Y241-A300 HydrophobicContact CG-CB 3.71Å; Y241-C303 HydrophobicContact CE2-CB 3.65Å; Y241-C303 WeakPolarHBondContact OH-CB 3.34Å; Y241-W319 HydrophobicContact CE2-CB 4.26Å
242D95.7Very high96.7Very high101 Ų10136 Ų3654%0.5420%0.196SC..Hα-helixtrans-57.7-45.5175.2-60.7-20.8000110.5C239 C244 F245 E246C239-D242 HydrophobicContact CB-CB 4.27Å; C239-D242 WeakPolarHBondContact CB-OD2 3.21Å; C239-D242 PolarHBondContact O-N 3.06Å; D242-C244 VanDerWaalsContact C-N 3.35Å; D242-C244 PolarHBondContact O-N 2.99Å; D242-F245 PolarHBondContact O-N 3.17Å; D242-E246 WeakPolarHBondContact O-CB 3.42Å; D242-E246 PolarHBondContact O-N 3.18Å
243M97.9Very high96.6Very high0 Ų042.5 Ų42.50%022%0.224CC..Hα-helixtrans-60.6-41.2175.1-77-70.8176.600113L28 Y32 P230 A231 P238 C239 Y241 Y247 L268L28-M243 HydrophobicContact CD1-SD 4.45Å; Y32-M243 HydrophobicContact CD1-CE 3.8Å; Y32-M243 HydrophobicContact CD2-CE 3.95Å; Y32-M243 HydrophobicContact CD2-SD 4.19Å; Y32-M243 HydrophobicContact CE1-CE 3.38Å; Y32-M243 HydrophobicContact CE2-CE 3.55Å; Y32-M243 HydrophobicContact CE2-SD 3.69Å; Y32-M243 HydrophobicContact CG-CE 4.07Å; P230-M243 HydrophobicContact CB-SD 4.29Å; P230-M243 HydrophobicContact CG-SD 4.2Å; A231-M243 HydrophobicContact CB-CE 3.91Å; P238-M243 HydrophobicContact CB-CE 3.48Å; P238-M243 VanDerWaalsContact CB-CE 3.48Å; P238-M243 HydrophobicContact CB-CG 4.17Å; P238-M243 HydrophobicContact CG-CE 3.33Å; C239-M243 PolarHBondContact O-N 3.37Å; C239-M243 VanDerWaalsContact O-N 3.15Å; Y241-M243 VanDerWaalsContact C-N 3.29Å; Y241-M243 PolarHBondContact O-N 3.14Å; M243-Y247 VanDerWaalsContact O-CB 3.24Å; M243-Y247 WeakPolarHBondContact O-CB 3.23Å; M243-Y247 PolarHBondContact O-N 3.12Å; M243-L268 HydrophobicContact CB-CD1 4.44Å; M243-L268 HydrophobicContact CB-CD2 4.26Å
244C98.8Very high96.5Very high0 Ų043.5 Ų43.50%023%0.228CC..Hα-helixtrans-67.3-43.1177.5-72.60000111.9I240 Y241 D242 Y247 L248 I265 L296I240-C244 WeakPolarHBondContact O-CB 3.32Å; I240-C244 PolarHBondContact O-N 3.49Å; I240-C244 PolarHBondContact O-SG 2.9Å; Y241-C244 PolarHBondContact O-N 2.92Å; Y241-C244 VanDerWaalsContact O-N 3.1Å; D242-C244 VanDerWaalsContact C-N 3.35Å; D242-C244 PolarHBondContact O-N 2.99Å; C244-Y247 PolarHBondContact O-N 3.18Å; C244-L248 WeakPolarHBondContact O-CB 3.4Å; C244-L248 WeakPolarHBondContact O-CD1 3.37Å; C244-L248 WeakPolarHBondContact O-CG 3.42Å; C244-L248 PolarHBondContact O-N 3.32Å; C244-I265 HydrophobicContact CB-CD1 3.82Å; C244-L296 HydrophobicContact CB-CD1 3.62Å; C244-L296 HydrophobicContact CB-CD2 4.1Å; C244-L296 HydrophobicContact CB-CG 4.48Å
245F98.7Very high96.4Very high44 Ų4442.6 Ų42.619%0.19323%0.227CC..Hα-helixtrans-64.8-46.5179-70.6-54.4000111.3Y241 D242 Y247 L248 D249 K293 L296 Q297Y241-F245 WeakPolarHBondContact O-CD2 3.4Å; Y241-F245 WeakPolarHBondContact O-CG 3.3Å; Y241-F245 PolarHBondContact O-N 3.5Å; D242-F245 PolarHBondContact O-N 3.17Å; F245-Y247 VanDerWaalsContact C-N 3.35Å; F245-Y247 PolarHBondContact O-N 2.82Å; F245-L248 PolarHBondContact O-N 3.18Å; F245-D249 PolarHBondContact O-N 3.45Å; F245-K293 HydrophobicContact CD1-CG 4.33Å; F245-K293 HydrophobicContact CE1-CB 4.29Å; F245-K293 HydrophobicContact CE1-CG 4.49Å; F245-L296 HydrophobicContact CE1-CB 3.91Å; F245-L296 HydrophobicContact CZ-CB 3.88Å; F245-Q297 HydrophobicContact CZ-CB 4.31Å
246E98.5Very high96.4Very high33 Ų3342 Ų4215%0.15422%0.215CC..Hα-helixtrans-61.4-43.3176.6-178.2171150.700112.4L28 K31 Y32 D242 L248 D249 L250L28-E246 HydrophobicContact CD1-CB 4.4Å; L28-E246 HydrophobicContact CD1-CG 3.88Å; K31-E246 WeakPolarHBondContact CD-OE1 3.32Å; K31-E246 WeakPolarHBondContact CE-OE1 3.46Å; K31-E246 IonicContact NZ-OE1 3.76Å; K31-E246 PolarHBondContact NZ-OE1 3.36Å; K31-E246 IonicContact NZ-OE2 2.69Å; K31-E246 PolarHBondContact NZ-OE2 3.07Å; Y32-E246 WeakPolarHBondContact CE2-OE1 3.34Å; Y32-E246 PolarHBondContact OH-OE2 2.72Å; D242-E246 WeakPolarHBondContact O-CB 3.42Å; D242-E246 PolarHBondContact O-N 3.18Å; E246-L248 VanDerWaalsContact C-N 3.28Å; E246-L248 PolarHBondContact O-N 3.29Å; E246-D249 PolarHBondContact O-N 3.39Å; E246-L250 PolarHBondContact O-N 3Å
247Y98.8Very high96.4Very high0 Ų040.3 Ų40.30%021%0.21CC..Hα-helixtrans-57.5-43.2172.8171.2-113.7000111.6A24 W25 L28 M243 C244 F245 D249 L250 V251 I261 H264 I265A24-Y247 HydrophobicContact CB-CE2 3.96Å; W25-Y247 HydrophobicContact CB-CE2 4.44Å; W25-Y247 AromaticContact CE3-CD2 3.76Å; W25-Y247 HydrophobicContact CE3-CD2 3.76Å; W25-Y247 AromaticContact CE3-CE2 3.8Å; W25-Y247 HydrophobicContact CE3-CE2 3.8Å; W25-Y247 HydrophobicContact CE3-CG 4.35Å; W25-Y247 HydrophobicContact CZ3-CD2 4.24Å; W25-Y247 HydrophobicContact CZ3-CG 4.39Å; L28-Y247 HydrophobicContact CD2-CD2 4.36Å; M243-Y247 VanDerWaalsContact O-CB 3.24Å; M243-Y247 WeakPolarHBondContact O-CB 3.23Å; M243-Y247 PolarHBondContact O-N 3.12Å; C244-Y247 PolarHBondContact O-N 3.18Å; F245-Y247 VanDerWaalsContact C-N 3.35Å; F245-Y247 PolarHBondContact O-N 2.82Å; Y247-D249 VanDerWaalsContact C-N 3.34Å; Y247-L250 WeakPolarHBondContact O-CB 3.37Å; Y247-L250 PolarHBondContact O-N 3.37Å; Y247-V251 HydrophobicContact CD1-CG2 4.34Å; Y247-V251 HydrophobicContact CD2-CG2 4.23Å; Y247-V251 HydrophobicContact CE1-CG2 3.75Å; Y247-V251 HydrophobicContact CE2-CG2 3.6Å; Y247-V251 WeakPolarHBondContact O-CG2 3.23Å; Y247-V251 PolarHBondContact O-N 3.49Å; Y247-V251 WeakPolarHBondContact OH-CG2 3.34Å; Y247-I261 HydrophobicContact CE1-CG2 4.23Å; Y247-H264 HydrophobicContact CD1-CB 4.29Å; Y247-H264 HydrophobicContact CE1-CB 3.7Å; Y247-H264 AromaticContact CE1-ND1 3.93Å; Y247-H264 AromaticContact CE2-ND1 3.68Å; Y247-H264 AromaticContact CZ-CG 3.87Å; Y247-H264 AromaticContact CZ-ND1 3.2Å; Y247-H264 PolarHBondContact OH-ND1 3.17Å; Y247-I265 HydrophobicContact CD1-CD1 4.02Å
248L98.6Very high96.4Very high0 Ų038.3 Ų38.30%020%0.201CC..Hα-helixtrans-69.2-31.8-179.7-69.7167.3000112.5C244 F245 E246 V251 E252 I261 I265 T289 I292 K293 L296C244-L248 WeakPolarHBondContact O-CB 3.4Å; C244-L248 WeakPolarHBondContact O-CD1 3.37Å; C244-L248 WeakPolarHBondContact O-CG 3.42Å; C244-L248 PolarHBondContact O-N 3.32Å; F245-L248 PolarHBondContact O-N 3.18Å; E246-L248 VanDerWaalsContact C-N 3.28Å; E246-L248 PolarHBondContact O-N 3.29Å; L248-V251 WeakPolarHBondContact O-CB 3.46Å; L248-V251 PolarHBondContact O-N 2.67Å; L248-E252 PolarHBondContact O-N 2.56Å; L248-I261 HydrophobicContact CD2-CG2 3.7Å; L248-I265 HydrophobicContact CD1-CD1 4.27Å; L248-I265 HydrophobicContact CD2-CD1 4.46Å; L248-I265 HydrophobicContact CG-CD1 4.28Å; L248-T289 HydrophobicContact CD2-CG2 4.26Å; L248-I292 HydrophobicContact CD1-CG2 3.87Å; L248-I292 HydrophobicContact CD2-CG2 4.44Å; L248-K293 HydrophobicContact CB-CG 4.3Å; L248-K293 HydrophobicContact CD1-CG 3.62Å; L248-L296 HydrophobicContact CD1-CD1 3.54Å
249D98.4Very high96.6Very high87 Ų8742.5 Ų42.547%0.46522%0.218SC..Hα-helixtrans-66.8-40.5171.4-64.9-17.5000111.1F245 E246 Y247 V251 E252 K253 K293F245-D249 PolarHBondContact O-N 3.45Å; E246-D249 PolarHBondContact O-N 3.39Å; Y247-D249 VanDerWaalsContact C-N 3.34Å; D249-V251 VanDerWaalsContact C-N 3.29Å; D249-V251 PolarHBondContact O-N 3.25Å; D249-E252 WeakPolarHBondContact O-CB 3.42Å; D249-E252 PolarHBondContact O-N 2.94Å; D249-K253 PolarHBondContact O-N 2.76Å; D249-K293 IonicContact OD1-NZ 3.85Å; D249-K293 PolarHBondContact OD1-NZ 2.75Å
250L98.3Very high96.6Very high31 Ų3141.6 Ų41.616%0.16221%0.211CC..Hα-helixtrans-65-32.2171.7-72.3168.7000112.6A24 M27 L28 E246 Y247 E252 K253 Y254A24-L250 HydrophobicContact CB-CB 4.19Å; M27-L250 HydrophobicContact CB-CD1 4.34Å; M27-L250 HydrophobicContact CB-CD2 3.99Å; L28-L250 HydrophobicContact CB-CD1 3.66Å; L28-L250 HydrophobicContact CD1-CD1 3.97Å; L28-L250 HydrophobicContact CG-CD1 4.43Å; E246-L250 PolarHBondContact O-N 3Å; Y247-L250 WeakPolarHBondContact O-CB 3.37Å; Y247-L250 PolarHBondContact O-N 3.37Å; L250-E252 VanDerWaalsContact C-N 3.35Å; L250-K253 PolarHBondContact O-N 3.06Å; L250-Y254 HydrophobicContact CD2-CD2 4.38Å; L250-Y254 HydrophobicContact CD2-CE2 4.18Å; L250-Y254 WeakPolarHBondContact O-CA 3.46Å; L250-Y254 WeakPolarHBondContact O-CB 3.32Å; L250-Y254 WeakPolarHBondContact O-CD2 3.4Å; L250-Y254 PolarHBondContact O-N 2.98Å
251V98Very high96.7Very high5 Ų541.7 Ų41.73%0.0321%0.212CC..Hα-helixtrans-68.1-34.3173.2166.40000111.7A24 Y247 L248 D249 K253 Y254 P255 I261 T289A24-V251 HydrophobicContact CB-CG2 3.85Å; Y247-V251 HydrophobicContact CD1-CG2 4.34Å; Y247-V251 HydrophobicContact CD2-CG2 4.23Å; Y247-V251 HydrophobicContact CE1-CG2 3.75Å; Y247-V251 HydrophobicContact CE2-CG2 3.6Å; Y247-V251 WeakPolarHBondContact O-CG2 3.23Å; Y247-V251 PolarHBondContact O-N 3.49Å; Y247-V251 WeakPolarHBondContact OH-CG2 3.34Å; L248-V251 WeakPolarHBondContact O-CB 3.46Å; L248-V251 PolarHBondContact O-N 2.67Å; D249-V251 VanDerWaalsContact C-N 3.29Å; D249-V251 PolarHBondContact O-N 3.25Å; V251-K253 VanDerWaalsContact C-N 3.32Å; V251-Y254 CarbonylContact O-C 3.58Å; V251-Y254 VanDerWaalsContact O-C 3.26Å; V251-P255 WeakPolarHBondContact O-CA 3.11Å; V251-P255 VanDerWaalsContact O-N 3.14Å; V251-I261 HydrophobicContact CG1-CD1 3.5Å; V251-I261 VanDerWaalsContact CG1-CD1 3.5Å; V251-I261 HydrophobicContact CG1-CG1 3.9Å; V251-I261 HydrophobicContact CG2-CG1 4.14Å; V251-T289 HydrophobicContact CG1-CG2 3.86Å
252E96.5Very high96.7Very high109 Ų10943.4 Ų43.451%0.50922%0.218SC..Hα-helixtrans-64.6-39.7173.5-72.4173.9-16700111L248 D249 L250 K293L248-E252 PolarHBondContact O-N 2.56Å; D249-E252 WeakPolarHBondContact O-CB 3.42Å; D249-E252 PolarHBondContact O-N 2.94Å; L250-E252 VanDerWaalsContact C-N 3.35Å; E252-K293 WeakPolarHBondContact OE1-CE 3.39Å; E252-K293 IonicContact OE1-NZ 2.69Å; E252-K293 PolarHBondContact OE1-NZ 2.94Å; E252-K293 IonicContact OE2-NZ 2.74Å
253K95.9Very high96.7Very high137 Ų13740 Ų4060%0.59621%0.207SC*.Hα-helixtrans-72.7-39.4174.5-168.8176.5-179.2-1680113.3D249 L250 V251 P255D249-K253 PolarHBondContact O-N 2.76Å; L250-K253 PolarHBondContact O-N 3.06Å; V251-K253 VanDerWaalsContact C-N 3.32Å; K253-P255 WeakPolarHBondContact O-CD 3.35Å
254Y95.6Very high96.8Very high27 Ų2740 Ų4011%0.10621%0.207CC..SBendtrans-126.976.9-175.9-51.5-63.7000110.9L23 M27 A61 L250 V251 T256L23-Y254 HydrophobicContact CD2-CD1 3.46Å; L23-Y254 VanDerWaalsContact CD2-CD1 3.46Å; L23-Y254 HydrophobicContact CD2-CE1 4.06Å; L23-Y254 HydrophobicContact CD2-CG 3.8Å; L23-Y254 HydrophobicContact CG-CD1 4.02Å; L23-Y254 HydrophobicContact CG-CD2 4.36Å; L23-Y254 HydrophobicContact CG-CG 3.87Å; M27-Y254 HydrophobicContact CB-CD2 4.49Å; M27-Y254 HydrophobicContact CB-CE2 4.21Å; M27-Y254 HydrophobicContact CG-CD2 3.95Å; M27-Y254 HydrophobicContact CG-CE2 3.58Å; A61-Y254 HydrophobicContact CB-CE1 4.08Å; L250-Y254 HydrophobicContact CD2-CD2 4.38Å; L250-Y254 HydrophobicContact CD2-CE2 4.18Å; L250-Y254 WeakPolarHBondContact O-CA 3.46Å; L250-Y254 WeakPolarHBondContact O-CB 3.32Å; L250-Y254 WeakPolarHBondContact O-CD2 3.4Å; L250-Y254 PolarHBondContact O-N 2.98Å; V251-Y254 CarbonylContact O-C 3.58Å; V251-Y254 VanDerWaalsContact O-C 3.26Å; Y254-T256 PolarHBondContact O-N 2.85Å
255P94Very high96.8Very high69 Ų6940 Ų4045%0.44821%0.207SC..  trans-59.3138.3-171.5-27.536000114.1Q59 V251 K253Q59-P255 PolarHBondContact NE2-O 3.33Å; V251-P255 WeakPolarHBondContact O-CA 3.11Å; V251-P255 VanDerWaalsContact O-N 3.14Å; K253-P255 WeakPolarHBondContact O-CD 3.35Å
256T93.4Very high96.7Very high30 Ų3040 Ų4018%0.18421%0.207CC..  trans-134.2-178.1169.5-1680000110.9Y254 I260 I261Y254-T256 PolarHBondContact O-N 2.85Å; T256-I260 HydrophobicContact CG2-CB 4.09Å; T256-I260 HydrophobicContact CG2-CG2 3.81Å; T256-I260 WeakPolarHBondContact OG1-CD1 3.5Å; T256-I261 HydrophobicContact CG2-CD1 4.34Å; T256-I261 HydrophobicContact CG2-CG1 3.75Å
257S92.5Very high96.7Very high47 Ų4741.2 Ų41.233%0.32921%0.212SC..  trans-72.8147.5-176.783.40000112.4Q259 I260 I261S257-Q259 PolarHBondContact O-N 2.98Å; S257-Q259 PolarHBondContact OG-N 3.35Å; S257-I260 PolarHBondContact O-N 2.96Å; S257-I260 WeakPolarHBondContact OG-CD1 3.5Å; S257-I260 WeakPolarHBondContact OG-CG1 2.99Å; S257-I260 PolarHBondContact OG-N 3.3Å; S257-I261 WeakPolarHBondContact O-CG1 3.48Å; S257-I261 PolarHBondContact O-N 2.82Å
258M94.9Very high96.7Very high16 Ų1641.5 Ų41.58%0.07921%0.213CC..Hα-helixtrans-57.5-23.2173.6-77.7-58.6-58.300113.8I261 R262 T289 I292M258-I261 HydrophobicContact SD-CD1 3.9Å; M258-R262 WeakPolarHBondContact O-CB 3.23Å; M258-R262 WeakPolarHBondContact O-CG 3.46Å; M258-R262 VanDerWaalsContact O-CZ 3.31Å; M258-R262 PolarHBondContact O-N 3.32Å; M258-R262 VanDerWaalsContact O-N 3.13Å; M258-R262 PolarHBondContact O-NE 2.99Å; M258-R262 VanDerWaalsContact O-NE 3.16Å; M258-R262 PolarHBondContact O-NH2 3.11Å; M258-T289 HydrophobicContact SD-CG2 4.47Å; M258-I292 HydrophobicContact CE-CD1 3.62Å; M258-I292 HydrophobicContact CE-CG1 4.38Å
259Q94.3Very high96.6Very high113 Ų11341.5 Ų41.553%0.52821%0.213SC..Hα-helixtrans-66.8-45.5173.9171.9173.8-29.400111.8D19 S257 R262 G263D19-Q259 PolarHBondContact OD2-NE2 2.95Å; S257-Q259 PolarHBondContact O-N 2.98Å; S257-Q259 PolarHBondContact OG-N 3.35Å; Q259-R262 VanDerWaalsContact CA-NH2 3.34Å; Q259-G263 PolarHBondContact O-N 2.88Å
260I95.8Very high96.5Very high15 Ų1538 Ų388%0.07719%0.194CC..Hα-helixtrans-69.6-46.9-178.8-66.6167.9000109.6D19 E22 T256 S257 R262 G263 H264D19-I260 HydrophobicContact CB-CG1 3.96Å; D19-I260 WeakPolarHBondContact OD1-CG1 3.46Å; E22-I260 HydrophobicContact CB-CG2 4.49Å; E22-I260 VanDerWaalsContact CD-CG2 3.49Å; E22-I260 HydrophobicContact CG-CD1 3.9Å; E22-I260 HydrophobicContact CG-CG2 3.98Å; E22-I260 WeakPolarHBondContact OE2-CG2 3.27Å; T256-I260 HydrophobicContact CG2-CB 4.09Å; T256-I260 HydrophobicContact CG2-CG2 3.81Å; T256-I260 WeakPolarHBondContact OG1-CD1 3.5Å; S257-I260 PolarHBondContact O-N 2.96Å; S257-I260 WeakPolarHBondContact OG-CD1 3.5Å; S257-I260 WeakPolarHBondContact OG-CG1 2.99Å; S257-I260 PolarHBondContact OG-N 3.3Å; I260-R262 VanDerWaalsContact C-N 3.34Å; I260-R262 PolarHBondContact O-N 3.49Å; I260-G263 WeakPolarHBondContact O-CA 3.46Å; I260-G263 PolarHBondContact O-N 2.78Å; I260-H264 VanDerWaalsContact CG2-CE1 3.46Å; I260-H264 WeakPolarHBondContact CG2-CE1 3.31Å; I260-H264 PolarHBondContact O-N 2.78Å; I260-H264 PolarHBondContact O-ND1 3.36Å
261I98.1Very high96.3Very high3 Ų337.4 Ų37.42%0.01519%0.19CC..Hα-helixtrans-53.9-51.4175.9-62.3162.3000110.2Y247 L248 V251 T256 S257 M258 G263 H264 I265 T289 I292Y247-I261 HydrophobicContact CE1-CG2 4.23Å; L248-I261 HydrophobicContact CD2-CG2 3.7Å; V251-I261 HydrophobicContact CG1-CD1 3.5Å; V251-I261 VanDerWaalsContact CG1-CD1 3.5Å; V251-I261 HydrophobicContact CG1-CG1 3.9Å; V251-I261 HydrophobicContact CG2-CG1 4.14Å; T256-I261 HydrophobicContact CG2-CD1 4.34Å; T256-I261 HydrophobicContact CG2-CG1 3.75Å; S257-I261 WeakPolarHBondContact O-CG1 3.48Å; S257-I261 PolarHBondContact O-N 2.82Å; M258-I261 HydrophobicContact SD-CD1 3.9Å; I261-G263 VanDerWaalsContact C-N 3.29Å; I261-G263 PolarHBondContact O-N 3.11Å; I261-H264 PolarHBondContact O-N 2.88Å; I261-I265 HydrophobicContact CG2-CG1 4.49Å; I261-I265 VanDerWaalsContact O-CG1 3.31Å; I261-I265 WeakPolarHBondContact O-CG1 3.21Å; I261-I265 PolarHBondContact O-N 3.46Å; I261-T289 HydrophobicContact CD1-CG2 3.93Å; I261-I292 HydrophobicContact CG2-CD1 3.95Å
262R97.4Very high96.1Very high45 Ų4537.2 Ų37.217%0.1719%0.189CC..Hα-helixtrans-59.8-39.6175.7-78.1-176.7-76.992.21.7112.1M258 Q259 I260 I265 F266 I283 I292M258-R262 WeakPolarHBondContact O-CB 3.23Å; M258-R262 WeakPolarHBondContact O-CG 3.46Å; M258-R262 VanDerWaalsContact O-CZ 3.31Å; M258-R262 PolarHBondContact O-N 3.32Å; M258-R262 VanDerWaalsContact O-N 3.13Å; M258-R262 PolarHBondContact O-NE 2.99Å; M258-R262 VanDerWaalsContact O-NE 3.16Å; M258-R262 PolarHBondContact O-NH2 3.11Å; Q259-R262 VanDerWaalsContact CA-NH2 3.34Å; I260-R262 VanDerWaalsContact C-N 3.34Å; I260-R262 PolarHBondContact O-N 3.49Å; R262-I265 PolarHBondContact O-N 3.43Å; R262-F266 HydrophobicContact CB-CD2 4.31Å; R262-F266 HydrophobicContact CB-CE2 4.31Å; R262-F266 WeakPolarHBondContact O-CB 3.04Å; R262-F266 WeakPolarHBondContact O-CD2 3.26Å; R262-F266 PolarHBondContact O-N 3.46Å; R262-I283 WeakPolarHBondContact CD-O 3.47Å; R262-I292 HydrophobicContact CG-CD1 3.99Å
263G97.2Very high96.1Very high29 Ų2932.1 Ų32.130%0.29917%0.165SC..Hα-helixtrans-55.1-51.4176.500000112.2Q259 I260 I261 F266 K267Q259-G263 PolarHBondContact O-N 2.88Å; I260-G263 WeakPolarHBondContact O-CA 3.46Å; I260-G263 PolarHBondContact O-N 2.78Å; I261-G263 VanDerWaalsContact C-N 3.29Å; I261-G263 PolarHBondContact O-N 3.11Å; G263-F266 PolarHBondContact O-N 2.93Å; G263-K267 VanDerWaalsContact O-CG 3.27Å; G263-K267 WeakPolarHBondContact O-CG 3.34Å; G263-K267 PolarHBondContact O-N 2.86Å
264H98.6Very high95.9Very high1 Ų127.9 Ų27.91%0.00515%0.149CC..Hα-helixtrans-61.8-47.6176.5-67.2143.3000112.8G20 E22 W25 Y247 I260 I261 F266 K267 L268G20-H264 VanDerWaalsContact CA-NE2 3.27Å; G20-H264 WeakPolarHBondContact CA-NE2 3.27Å; G20-H264 PolarHBondContact O-NE2 2.99Å; E22-H264 IonicContact OE2-CE1 3.81Å; E22-H264 PolarHBondContact OE2-CE1 3.28Å; E22-H264 IonicContact OE2-NE2 2.86Å; W25-H264 AromaticContact CD2-CD2 3.74Å; W25-H264 AromaticContact CD2-NE2 3.78Å; W25-H264 HydrophobicContact CE3-CB 3.81Å; W25-H264 AromaticContact CE3-CD2 3.46Å; W25-H264 VanDerWaalsContact CE3-CD2 3.46Å; W25-H264 AromaticContact CE3-CE1 3.98Å; W25-H264 AromaticContact CE3-CG 3.4Å; W25-H264 VanDerWaalsContact CE3-CG 3.4Å; W25-H264 AromaticContact CE3-ND1 3.74Å; W25-H264 AromaticContact CE3-NE2 3.84Å; W25-H264 AromaticContact CG-NE2 3.85Å; W25-H264 HydrophobicContact CZ3-CB 3.61Å; W25-H264 AromaticContact CZ3-CD2 3.84Å; W25-H264 AromaticContact CZ3-CG 3.72Å; Y247-H264 HydrophobicContact CD1-CB 4.29Å; Y247-H264 HydrophobicContact CE1-CB 3.7Å; Y247-H264 AromaticContact CE1-ND1 3.93Å; Y247-H264 AromaticContact CE2-ND1 3.68Å; Y247-H264 AromaticContact CZ-CG 3.87Å; Y247-H264 AromaticContact CZ-ND1 3.2Å; Y247-H264 PolarHBondContact OH-ND1 3.17Å; I260-H264 VanDerWaalsContact CG2-CE1 3.46Å; I260-H264 WeakPolarHBondContact CG2-CE1 3.31Å; I260-H264 PolarHBondContact O-N 2.78Å; I260-H264 PolarHBondContact O-ND1 3.36Å; I261-H264 PolarHBondContact O-N 2.88Å; H264-F266 VanDerWaalsContact C-N 3.32Å; H264-F266 PolarHBondContact O-N 2.97Å; H264-K267 WeakPolarHBondContact O-CB 3.43Å; H264-K267 PolarHBondContact O-N 3.45Å; H264-L268 PolarHBondContact O-N 3.04Å
265I98.6Very high95.6Very high0 Ų028.6 Ų28.60%015%0.153CC..Hα-helixtrans-61-41.1178.2-62.7-60.9000111.4C244 Y247 L248 I261 R262 K267 C269 I283 I292 L296C244-I265 HydrophobicContact CB-CD1 3.82Å; Y247-I265 HydrophobicContact CD1-CD1 4.02Å; L248-I265 HydrophobicContact CD1-CD1 4.27Å; L248-I265 HydrophobicContact CD2-CD1 4.46Å; L248-I265 HydrophobicContact CG-CD1 4.28Å; I261-I265 HydrophobicContact CG2-CG1 4.49Å; I261-I265 VanDerWaalsContact O-CG1 3.31Å; I261-I265 WeakPolarHBondContact O-CG1 3.21Å; I261-I265 PolarHBondContact O-N 3.46Å; R262-I265 PolarHBondContact O-N 3.43Å; I265-K267 PolarHBondContact O-N 3.11Å; I265-C269 VanDerWaalsContact O-CB 3.29Å; I265-C269 WeakPolarHBondContact O-CB 3.41Å; I265-C269 PolarHBondContact O-N 3.4Å; I265-C269 PolarHBondContact O-SG 3.41Å; I265-C269 VanDerWaalsContact O-SG 3.41Å; I265-I283 HydrophobicContact CG2-CD1 3.94Å; I265-I283 HydrophobicContact CG2-CG2 4Å; I265-I292 HydrophobicContact CD1-CG2 4.43Å; I265-I292 HydrophobicContact CG1-CG2 4.07Å; I265-I292 HydrophobicContact CG2-CG2 4.37Å; I265-L296 HydrophobicContact CD1-CD1 4.21Å; I265-L296 HydrophobicContact CG2-CD2 4.3Å
266F98Very high95.5Very high44 Ų4426 Ų2619%0.19314%0.135CC..Hα-helixtrans-65-24.4175.1-84.2-59.3000113.7R262 G263 H264 H270 L273 R280 I283R262-F266 HydrophobicContact CB-CD2 4.31Å; R262-F266 HydrophobicContact CB-CE2 4.31Å; R262-F266 WeakPolarHBondContact O-CB 3.04Å; R262-F266 WeakPolarHBondContact O-CD2 3.26Å; R262-F266 PolarHBondContact O-N 3.46Å; G263-F266 PolarHBondContact O-N 2.93Å; H264-F266 VanDerWaalsContact C-N 3.32Å; H264-F266 PolarHBondContact O-N 2.97Å; F266-H270 WeakPolarHBondContact O-CA 3.39Å; F266-H270 PolarHBondContact O-N 3.22Å; F266-L273 HydrophobicContact CD1-CD1 3.49Å; F266-L273 VanDerWaalsContact CD1-CD1 3.49Å; F266-L273 HydrophobicContact CE1-CD1 3.78Å; F266-R280 HydrophobicContact CE1-CG 3.77Å; F266-I283 HydrophobicContact CE1-CB 4.47Å; F266-I283 HydrophobicContact CE1-CG2 4.21Å; F266-I283 HydrophobicContact CE2-CG2 4.01Å; F266-I283 HydrophobicContact CZ-CB 4.23Å; F266-I283 HydrophobicContact CZ-CG2 3.84Å
267K97.9Very high95.5Very high57 Ų5727.7 Ų27.725%0.24815%0.148CC..Hα-helixtrans-81.7-48177.5-69.9-78.8-177.7169.40111.1E224 L227 H228 G263 H264 I265 H270E224-K267 IonicContact OE1-NZ 3.74Å; E224-K267 IonicContact OE2-NZ 3.94Å; E224-K267 PolarHBondContact OE2-NZ 3.21Å; L227-K267 HydrophobicContact CB-CB 4.16Å; L227-K267 HydrophobicContact CB-CD 4.26Å; L227-K267 HydrophobicContact CB-CG 4.21Å; L227-K267 VanDerWaalsContact O-CB 3.25Å; L227-K267 WeakPolarHBondContact O-CB 3.45Å; H228-K267 PolarHBondContact CD2-O 3.46Å; H228-K267 WeakPolarHBondContact NE2-CD 3.34Å; G263-K267 VanDerWaalsContact O-CG 3.27Å; G263-K267 WeakPolarHBondContact O-CG 3.34Å; G263-K267 PolarHBondContact O-N 2.86Å; H264-K267 WeakPolarHBondContact O-CB 3.43Å; H264-K267 PolarHBondContact O-N 3.45Å; I265-K267 PolarHBondContact O-N 3.11Å; K267-H270 WeakPolarHBondContact O-CB 3.27Å; K267-H270 PolarHBondContact O-N 3.42Å
268L98.3Very high95.5Very high6 Ų630 Ų303%0.03115%0.154CC..Hα-helixtrans-59.5-48.1174.3-72.1172.1000111.3W25 P230 I240 M243 H264 H270W25-L268 HydrophobicContact CH2-CD1 4.12Å; W25-L268 HydrophobicContact CH2-CD2 4Å; W25-L268 HydrophobicContact CH2-CG 3.95Å; W25-L268 HydrophobicContact CZ3-CD1 3.99Å; W25-L268 HydrophobicContact CZ3-CG 4.28Å; P230-L268 HydrophobicContact CG-CD2 3.82Å; I240-L268 WeakPolarHBondContact CG2-O 3.06Å; M243-L268 HydrophobicContact CB-CD1 4.44Å; M243-L268 HydrophobicContact CB-CD2 4.26Å; H264-L268 PolarHBondContact O-N 3.04Å; L268-H270 VanDerWaalsContact C-N 3.27Å; L268-H270 PolarHBondContact O-N 3.42Å
269C97.7Very high95.5Very high0 Ų030.4 Ų30.40%016%0.155CC..THydrogen-bonded Turntrans-87.218.6-178.4-53.40000113.6I240 I265 H271 A272 L273I240-C269 HydrophobicContact CD1-CB 4.25Å; I265-C269 VanDerWaalsContact O-CB 3.29Å; I265-C269 WeakPolarHBondContact O-CB 3.41Å; I265-C269 PolarHBondContact O-N 3.4Å; I265-C269 PolarHBondContact O-SG 3.41Å; I265-C269 VanDerWaalsContact O-SG 3.41Å; C269-H271 PolarHBondContact O-N 3.31Å; C269-A272 PolarHBondContact O-N 3.18Å; C269-L273 HydrophobicContact CB-CD1 3.84Å; C269-L273 HydrophobicContact CB-CG 3.84Å; C269-L273 VanDerWaalsContact O-CB 3.24Å; C269-L273 WeakPolarHBondContact O-CB 3.22Å; C269-L273 VanDerWaalsContact O-CG 3.24Å; C269-L273 WeakPolarHBondContact O-CG 3.32Å; C269-L273 PolarHBondContact O-N 3.2Å
270H95.2Very high95.5Very high14 Ų1426.8 Ų26.87%0.06514%0.136CC..THydrogen-bonded Turntrans-51.4-55.2-171.5-172.5120.9000112.3H228 F266 K267 L268 D274 Y324 R369H228-H270 AromaticContact NE2-ND1 3.79Å; F266-H270 WeakPolarHBondContact O-CA 3.39Å; F266-H270 PolarHBondContact O-N 3.22Å; K267-H270 WeakPolarHBondContact O-CB 3.27Å; K267-H270 PolarHBondContact O-N 3.42Å; L268-H270 VanDerWaalsContact C-N 3.27Å; L268-H270 PolarHBondContact O-N 3.42Å; H270-D274 IonicContact CD2-OD2 2.76Å; H270-D274 IonicContact NE2-OD2 3.27Å; H270-D274 PolarHBondContact O-N 2.96Å; H270-Y324 AromaticContact CD2-CD2 3.93Å; H270-Y324 AromaticContact CE1-CD1 3.93Å; H270-Y324 AromaticContact CE1-CD2 3.24Å; H270-Y324 WeakPolarHBondContact CE1-CD2 3.43Å; H270-Y324 AromaticContact CE1-CE2 3.46Å; H270-Y324 VanDerWaalsContact CE1-CE2 3.46Å; H270-Y324 WeakPolarHBondContact CE1-CE2 3.43Å; H270-Y324 AromaticContact CE1-CG 3.49Å; H270-Y324 VanDerWaalsContact CE1-CG 3.49Å; H270-Y324 AromaticContact CE1-CZ 3.89Å; H270-Y324 AromaticContact ND1-CG 3.98Å; H270-Y324 AromaticContact NE2-CD2 3.21Å; H270-Y324 WeakPolarHBondContact NE2-CD2 3.5Å; H270-Y324 AromaticContact NE2-CE2 3.31Å; H270-Y324 VanDerWaalsContact NE2-CE2 3.31Å; H270-Y324 WeakPolarHBondContact NE2-CE2 3.4Å; H270-Y324 AromaticContact NE2-CG 3.94Å; H270-R369 PolarHBondContact CE1-NH2 3.45Å; H270-R369 VanDerWaalsContact CE1-NH2 3.25Å; H270-R369 PolarHBondContact NE2-NH2 3.48Å
271H93.8Very high95.4Very high19 Ų1927.5 Ų27.59%0.08814%0.143CC..THydrogen-bonded Turntrans-76.2-41.7-175.5-59.3-60.9000111.3C269 L273 D274 E275 L314 H318 Q322 P323C269-H271 PolarHBondContact O-N 3.31Å; H271-L273 PolarHBondContact O-N 3.01Å; H271-D274 PolarHBondContact O-N 3.24Å; H271-E275 PolarHBondContact O-N 3.31Å; H271-E275 VanDerWaalsContact O-N 3.17Å; H271-L314 HydrophobicContact CB-CD1 4.08Å; H271-L314 WeakPolarHBondContact ND1-CD2 3.49Å; H271-H318 HydrophobicContact CB-CB 4.13Å; H271-Q322 WeakPolarHBondContact CD2-CG 3.25Å; H271-P323 PolarHBondContact NE2-O 3.34Å
272A94.7Very high95.3Very high0 Ų031.3 Ų31.30%016%0.163CC..Hα-helixtrans-58.7-30.6173.700000113.5I240 C269 H276 M299I240-A272 HydrophobicContact CD1-CB 3.64Å; C269-A272 PolarHBondContact O-N 3.18Å; A272-H276 WeakPolarHBondContact O-CB 3.13Å; A272-H276 PolarHBondContact O-N 3.38Å; A272-M299 HydrophobicContact CB-CE 4.47Å
273L95.6Very high95.2Very high2 Ų229.1 Ų29.11%0.0116%0.155CC..Hα-helixtrans-83.7-12.6175.7-73.2173.5000114.1F266 C269 H271 S277 R280 I283 M299F266-L273 HydrophobicContact CD1-CD1 3.49Å; F266-L273 VanDerWaalsContact CD1-CD1 3.49Å; F266-L273 HydrophobicContact CE1-CD1 3.78Å; C269-L273 HydrophobicContact CB-CD1 3.84Å; C269-L273 HydrophobicContact CB-CG 3.84Å; C269-L273 VanDerWaalsContact O-CB 3.24Å; C269-L273 WeakPolarHBondContact O-CB 3.22Å; C269-L273 VanDerWaalsContact O-CG 3.24Å; C269-L273 WeakPolarHBondContact O-CG 3.32Å; C269-L273 PolarHBondContact O-N 3.2Å; H271-L273 PolarHBondContact O-N 3.01Å; L273-S277 VanDerWaalsContact O-CA 3.29Å; L273-S277 WeakPolarHBondContact O-CA 3.49Å; L273-R280 HydrophobicContact CD2-CB 4.35Å; L273-I283 HydrophobicContact CD1-CD1 4.32Å; L273-I283 HydrophobicContact CD2-CD1 4.12Å; L273-M299 HydrophobicContact CD2-CE 3.63Å; L273-M299 HydrophobicContact CD2-SD 4.22Å; L273-M299 HydrophobicContact CG-CE 4.17Å
274D91.7Very high95Very high49 Ų4928 Ų2826%0.26214%0.143SC..Hα-helixtrans-80.8-31167.7-70.2-20.2000109.8H270 H271 Q365 R369H270-D274 IonicContact CD2-OD2 2.76Å; H270-D274 IonicContact NE2-OD2 3.27Å; H270-D274 PolarHBondContact O-N 2.96Å; H271-D274 PolarHBondContact O-N 3.24Å; D274-Q365 PolarHBondContact OD2-NE2 3.47Å; D274-R369 IonicContact OD1-NH2 3.99Å; D274-R369 IonicContact OD2-NH2 3.03Å
275E90.7Very high94.7Very high41 Ų4130.4 Ų30.419%0.19216%0.158CC..Hα-helixtrans-77.9-42.7172.8-65.4-72.5168.600113.1H271 S310 H318H271-E275 PolarHBondContact O-N 3.31Å; H271-E275 VanDerWaalsContact O-N 3.17Å; E275-S310 PolarHBondContact OE1-N 3.02Å; E275-S310 WeakPolarHBondContact OE2-CB 3.29Å; E275-S310 PolarHBondContact OE2-N 2.91Å; E275-S310 PolarHBondContact OE2-OG 3.43Å; E275-H318 HydrophobicContact CG-CB 3.84Å
276H92Very high94.5Very high14 Ų1431 Ų317%0.06516%0.162CC..SBendtrans-113.763.1-179.9-49.2-53.9000110.9A272 E278 Y279 Q302 H318A272-H276 WeakPolarHBondContact O-CB 3.13Å; A272-H276 PolarHBondContact O-N 3.38Å; H276-E278 WeakPolarHBondContact CA-OE2 3.5Å; H276-E278 PolarHBondContact O-N 3.37Å; H276-E278 VanDerWaalsContact O-N 3.14Å; H276-Y279 HydrophobicContact CB-CD2 3.62Å; H276-Y279 HydrophobicContact CB-CE2 4.02Å; H276-Y279 PolarHBondContact O-N 3.21Å; H276-Y279 VanDerWaalsContact O-N 3.17Å; H276-Q302 PolarHBondContact ND1-NE2 3.5Å; H276-H318 AromaticContact NE2-NE2 3.48Å; H276-H318 PolarHBondContact NE2-NE2 3.02Å
277S91.5Very high94.1Very high66 Ų6632.2 Ų32.246%0.46217%0.168SC..THydrogen-bonded Turntrans-60.4-24.3-170.871.30000114.9L273 Y279 R280L273-S277 VanDerWaalsContact O-CA 3.29Å; L273-S277 WeakPolarHBondContact O-CA 3.49Å; S277-Y279 VanDerWaalsContact C-N 3.26Å; S277-Y279 PolarHBondContact O-N 3.34Å; S277-R280 WeakPolarHBondContact O-CB 3.44Å; S277-R280 PolarHBondContact O-N 3.31Å; S277-R280 VanDerWaalsContact O-N 3.13Å
278E92.9Very high94Very high96 Ų9632.1 Ų32.145%0.44918%0.175SC..Hα-helixtrans-60.2-33.3176.965.3-84-158.100112.6H276 R280 Q302H276-E278 WeakPolarHBondContact CA-OE2 3.5Å; H276-E278 PolarHBondContact O-N 3.37Å; H276-E278 VanDerWaalsContact O-N 3.14Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 3.15Å; E278-Q302 PolarHBondContact OE1-NE2 2.88Å
279Y96.2Very high93.8Very high25 Ų2533.5 Ų33.510%0.09818%0.183CC..Hα-helixtrans-77.6-14.2179.9-64.2-80.2000113.3H276 S277 S281 L282 I283 I295 K298 M299 Q302H276-Y279 HydrophobicContact CB-CD2 3.62Å; H276-Y279 HydrophobicContact CB-CE2 4.02Å; H276-Y279 PolarHBondContact O-N 3.21Å; H276-Y279 VanDerWaalsContact O-N 3.17Å; S277-Y279 VanDerWaalsContact C-N 3.26Å; S277-Y279 PolarHBondContact O-N 3.34Å; Y279-S281 PolarHBondContact O-N 3.3Å; Y279-L282 HydrophobicContact CD1-CD1 3.83Å; Y279-L282 HydrophobicContact CE1-CD1 4.36Å; Y279-L282 PolarHBondContact O-N 3.25Å; Y279-I283 PolarHBondContact O-N 3.22Å; Y279-I295 HydrophobicContact CD1-CG2 3.81Å; Y279-K298 HydrophobicContact CE1-CB 3.91Å; Y279-M299 VanDerWaalsContact CB-SD 3.53Å; Y279-M299 HydrophobicContact CD1-CG 3.45Å; Y279-M299 VanDerWaalsContact CD1-CG 3.45Å; Y279-M299 HydrophobicContact CD1-SD 4.23Å; Y279-M299 HydrophobicContact CD2-CG 3.51Å; Y279-M299 HydrophobicContact CD2-SD 4.31Å; Y279-M299 HydrophobicContact CE1-CG 3.79Å; Y279-M299 HydrophobicContact CE2-CG 3.86Å; Y279-M299 HydrophobicContact CG-CG 3.28Å; Y279-M299 HydrophobicContact CG-SD 3.78Å; Y279-Q302 PolarHBondContact OH-OE1 3.34Å
280R94.6Very high93.8Very high36 Ų3640.3 Ų40.314%0.13621%0.213CC..Hα-helixtrans-59.9-47.4-178.7-165-175.6-173.281.421.6111.7F266 L273 S277 E278 G284F266-R280 HydrophobicContact CE1-CG 3.77Å; L273-R280 HydrophobicContact CD2-CB 4.35Å; S277-R280 WeakPolarHBondContact O-CB 3.44Å; S277-R280 PolarHBondContact O-N 3.31Å; S277-R280 VanDerWaalsContact O-N 3.13Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 3.15Å; R280-G284 PolarHBondContact O-N 3.4Å
281S92.7Very high93.9Very high30 Ų3040.2 Ų40.221%0.2122%0.216CC..Hα-helixtrans-72.7-30.9178.4-76.50000111.8Y279 G284 T285 S372 E375Y279-S281 PolarHBondContact O-N 3.3Å; S281-G284 PolarHBondContact O-N 3.4Å; S281-T285 WeakPolarHBondContact O-CB 3.31Å; S281-T285 WeakPolarHBondContact O-CG2 3.36Å; S281-T285 PolarHBondContact O-N 3.31Å; S281-T285 PolarHBondContact O-OG1 2.79Å; S281-S372 PolarHBondContact OG-OG 2.75Å; S281-E375 PolarHBondContact OG-OE2 3.44Å
282L96Very high94.1Very high83 Ų8339.3 Ų39.344%0.43521%0.212SC..Hα-helixtrans-63.6-51.1174.1-61.2179.5000111.5Y279 G284 T285 S286 I295Y279-L282 HydrophobicContact CD1-CD1 3.83Å; Y279-L282 HydrophobicContact CE1-CD1 4.36Å; Y279-L282 PolarHBondContact O-N 3.25Å; L282-G284 VanDerWaalsContact C-N 3.31Å; L282-G284 PolarHBondContact O-N 2.87Å; L282-T285 PolarHBondContact O-N 2.97Å; L282-T285 PolarHBondContact O-OG1 3.22Å; L282-S286 PolarHBondContact O-N 3.45Å; L282-I295 HydrophobicContact CB-CD1 3.79Å; L282-I295 HydrophobicContact CB-CG1 4.18Å; L282-I295 HydrophobicContact CB-CG2 4.31Å
283I95.5Very high94.3Very high0 Ų041.4 Ų41.40%022%0.221CC..Hα-helixtrans-62-42.3175.1-68.7173.9000110.5R262 I265 F266 L273 Y279 T285 S286 I295 M299R262-I283 WeakPolarHBondContact CD-O 3.47Å; I265-I283 HydrophobicContact CG2-CD1 3.94Å; I265-I283 HydrophobicContact CG2-CG2 4Å; F266-I283 HydrophobicContact CE1-CB 4.47Å; F266-I283 HydrophobicContact CE1-CG2 4.21Å; F266-I283 HydrophobicContact CE2-CG2 4.01Å; F266-I283 HydrophobicContact CZ-CB 4.23Å; F266-I283 HydrophobicContact CZ-CG2 3.84Å; L273-I283 HydrophobicContact CD1-CD1 4.32Å; L273-I283 HydrophobicContact CD2-CD1 4.12Å; Y279-I283 PolarHBondContact O-N 3.22Å; I283-T285 PolarHBondContact O-N 2.77Å; I283-S286 PolarHBondContact O-N 3.28Å; I283-I295 HydrophobicContact CD1-CG2 4.25Å; I283-I295 HydrophobicContact CG1-CB 4.46Å; I283-I295 HydrophobicContact CG1-CG2 3.66Å; I283-M299 HydrophobicContact CD1-SD 3.88Å
284G92.8Very high94.4Very high6 Ų646.3 Ų46.36%0.06224%0.244CC..Hα-helixtrans-62.3-29.3-179.200000114.2R280 S281 L282 V376R280-G284 PolarHBondContact O-N 3.4Å; S281-G284 PolarHBondContact O-N 3.4Å; L282-G284 VanDerWaalsContact C-N 3.31Å; L282-G284 PolarHBondContact O-N 2.87Å; G284-V376 WeakPolarHBondContact O-CG2 3.45Å
285T93.1Very high94.7Very high51 Ų5145 Ų4531%0.31324%0.237SC..Hα-helixtrans-100.6-11.1-178.755.70000114S281 L282 I283 Q287 V376 A379S281-T285 WeakPolarHBondContact O-CB 3.31Å; S281-T285 WeakPolarHBondContact O-CG2 3.36Å; S281-T285 PolarHBondContact O-N 3.31Å; S281-T285 PolarHBondContact O-OG1 2.79Å; L282-T285 PolarHBondContact O-N 2.97Å; L282-T285 PolarHBondContact O-OG1 3.22Å; I283-T285 PolarHBondContact O-N 2.77Å; T285-Q287 PolarHBondContact O-NE2 3.18Å; T285-V376 HydrophobicContact CG2-CB 4.38Å; T285-V376 HydrophobicContact CG2-CG2 3.68Å; T285-A379 HydrophobicContact CG2-CB 4.46Å
286S93.4Very high95.1Very high13 Ų1343 Ų439%0.09123%0.227CC..  trans-60139177.3-174.60000112.5L282 I283 S288 I292L282-S286 PolarHBondContact O-N 3.45Å; I283-S286 PolarHBondContact O-N 3.28Å; S286-S288 PolarHBondContact OG-O 2.92Å; S286-I292 PolarHBondContact OG-N 3.06Å
287Q90.2Very high95.4Very high68 Ų6846.6 Ų46.632%0.31824%0.244SC..  trans-109.2-1-176.4-57.5-54.9-44.600113.4T285 L401T285-Q287 PolarHBondContact O-NE2 3.18Å; Q287-L401 HydrophobicContact CG-CD2 4Å
288S94.6Very high95.7Very high55 Ų5549.7 Ų49.739%0.38525%0.25SC..SBendtrans-144.9154.9-177.563.40000111.8S286 K290 G291 I292S286-S288 PolarHBondContact OG-O 2.92Å; S288-K290 VanDerWaalsContact C-N 3.31Å; S288-G291 PolarHBondContact O-N 3.17Å; S288-G291 PolarHBondContact OG-N 3.34Å; S288-I292 PolarHBondContact O-N 3.13Å; S288-I292 VanDerWaalsContact O-N 3.1Å
289T95.9Very high95.9Very high35 Ų3545.1 Ų45.122%0.21523%0.228CC..Hα-helixtrans-60.4-42.317248.70000111L248 V251 M258 I261 G291 I292 K293L248-T289 HydrophobicContact CD2-CG2 4.26Å; V251-T289 HydrophobicContact CG1-CG2 3.86Å; M258-T289 HydrophobicContact SD-CG2 4.47Å; I261-T289 HydrophobicContact CD1-CG2 3.93Å; T289-G291 PolarHBondContact O-N 2.83Å; T289-I292 WeakPolarHBondContact O-CB 3.44Å; T289-I292 PolarHBondContact O-N 3.19Å; T289-I292 VanDerWaalsContact O-N 3.12Å; T289-K293 PolarHBondContact O-N 2.89Å
290K96.8Very high95.9Very high143 Ų14344.9 Ų44.962%0.62223%0.231SC*.Hα-helixtrans-54.9-48.5174-176.1178.2177.9179.30112.3S288 I292 K293 E294S288-K290 VanDerWaalsContact C-N 3.31Å; K290-I292 VanDerWaalsContact C-N 3.3Å; K290-I292 PolarHBondContact O-N 3.19Å; K290-K293 WeakPolarHBondContact O-CB 3.25Å; K290-K293 PolarHBondContact O-N 2.78Å; K290-K293 VanDerWaalsContact O-N 3.15Å; K290-E294 WeakPolarHBondContact CE-OE1 3.33Å; K290-E294 WeakPolarHBondContact O-CG 3.49Å; K290-E294 PolarHBondContact O-N 3.16Å
291G97.3Very high96Very high13 Ų1347.9 Ų47.913%0.13425%0.25CC..Hα-helixtrans-64-35.7177.900000112.6S288 T289 I295S288-G291 PolarHBondContact O-N 3.17Å; S288-G291 PolarHBondContact OG-N 3.34Å; T289-G291 PolarHBondContact O-N 2.83Å; G291-I295 WeakPolarHBondContact O-CD1 3.16Å; G291-I295 VanDerWaalsContact O-CG1 3.26Å; G291-I295 WeakPolarHBondContact O-CG1 3.49Å; G291-I295 PolarHBondContact O-N 3.01Å; G291-I295 VanDerWaalsContact O-N 3.16Å
292I98.2Very high96Very high0 Ų049.9 Ų49.90%026%0.256CS..Hα-helixtrans-64.9-44.8171.9-67.8178.7000111L248 M258 I261 R262 I265 S286 S288 T289 K290 E294 I295 L296L248-I292 HydrophobicContact CD1-CG2 3.87Å; L248-I292 HydrophobicContact CD2-CG2 4.44Å; M258-I292 HydrophobicContact CE-CD1 3.62Å; M258-I292 HydrophobicContact CE-CG1 4.38Å; I261-I292 HydrophobicContact CG2-CD1 3.95Å; R262-I292 HydrophobicContact CG-CD1 3.99Å; I265-I292 HydrophobicContact CD1-CG2 4.43Å; I265-I292 HydrophobicContact CG1-CG2 4.07Å; I265-I292 HydrophobicContact CG2-CG2 4.37Å; S286-I292 PolarHBondContact OG-N 3.06Å; S288-I292 PolarHBondContact O-N 3.13Å; S288-I292 VanDerWaalsContact O-N 3.1Å; T289-I292 WeakPolarHBondContact O-CB 3.44Å; T289-I292 PolarHBondContact O-N 3.19Å; T289-I292 VanDerWaalsContact O-N 3.12Å; K290-I292 VanDerWaalsContact C-N 3.3Å; K290-I292 PolarHBondContact O-N 3.19Å; I292-E294 VanDerWaalsContact C-N 3.34Å; I292-E294 PolarHBondContact O-N 3.13Å; I292-I295 PolarHBondContact O-N 3.16Å; I292-L296 HydrophobicContact CG2-CD1 3.74Å; I292-L296 HydrophobicContact CG2-CG 4.22Å; I292-L296 WeakPolarHBondContact O-CG 3.35Å; I292-L296 PolarHBondContact O-N 2.75Å
293K98.4Very high95.8Very high44 Ų4446.3 Ų46.319%0.19124%0.238CC..Hα-helixtrans-57.4-45.4176.7-73-174.3170.8-1790111.6F245 L248 D249 E252 T289 K290 I295 L296 Q297F245-K293 HydrophobicContact CD1-CG 4.33Å; F245-K293 HydrophobicContact CE1-CB 4.29Å; F245-K293 HydrophobicContact CE1-CG 4.49Å; L248-K293 HydrophobicContact CB-CG 4.3Å; L248-K293 HydrophobicContact CD1-CG 3.62Å; D249-K293 IonicContact OD1-NZ 3.85Å; D249-K293 PolarHBondContact OD1-NZ 2.75Å; E252-K293 WeakPolarHBondContact OE1-CE 3.39Å; E252-K293 IonicContact OE1-NZ 2.69Å; E252-K293 PolarHBondContact OE1-NZ 2.94Å; E252-K293 IonicContact OE2-NZ 2.74Å; T289-K293 PolarHBondContact O-N 2.89Å; K290-K293 WeakPolarHBondContact O-CB 3.25Å; K290-K293 PolarHBondContact O-N 2.78Å; K290-K293 VanDerWaalsContact O-N 3.15Å; K293-I295 VanDerWaalsContact C-N 3.33Å; K293-I295 PolarHBondContact O-N 3.37Å; K293-L296 PolarHBondContact O-N 3.23Å; K293-Q297 PolarHBondContact O-N 2.99Å
294E98.3Very high95.6Very high104 Ų10451.1 Ų51.149%0.48627%0.272SS..Hα-helixtrans-61.5-40177.3-71.4168.3-170.800112.6K290 I292 Q297 K298K290-E294 WeakPolarHBondContact CE-OE1 3.33Å; K290-E294 WeakPolarHBondContact O-CG 3.49Å; K290-E294 PolarHBondContact O-N 3.16Å; I292-E294 VanDerWaalsContact C-N 3.34Å; I292-E294 PolarHBondContact O-N 3.13Å; E294-Q297 PolarHBondContact O-N 3.03Å; E294-K298 WeakPolarHBondContact O-CG 3.27Å; E294-K298 PolarHBondContact O-N 3.49Å
295I98.4Very high95.4Very high21 Ų2155.4 Ų55.411%0.10830%0.3CS..Hα-helixtrans-66.4-46.7176.1-68.3160.7000110.6Y279 L282 I283 G291 I292 K293 Q297 K298 M299Y279-I295 HydrophobicContact CD1-CG2 3.81Å; L282-I295 HydrophobicContact CB-CD1 3.79Å; L282-I295 HydrophobicContact CB-CG1 4.18Å; L282-I295 HydrophobicContact CB-CG2 4.31Å; I283-I295 HydrophobicContact CD1-CG2 4.25Å; I283-I295 HydrophobicContact CG1-CB 4.46Å; I283-I295 HydrophobicContact CG1-CG2 3.66Å; G291-I295 WeakPolarHBondContact O-CD1 3.16Å; G291-I295 VanDerWaalsContact O-CG1 3.26Å; G291-I295 WeakPolarHBondContact O-CG1 3.49Å; G291-I295 PolarHBondContact O-N 3.01Å; G291-I295 VanDerWaalsContact O-N 3.16Å; I292-I295 PolarHBondContact O-N 3.16Å; K293-I295 VanDerWaalsContact C-N 3.33Å; K293-I295 PolarHBondContact O-N 3.37Å; I295-Q297 VanDerWaalsContact C-N 3.28Å; I295-Q297 PolarHBondContact O-N 3.17Å; I295-K298 WeakPolarHBondContact O-CB 3.42Å; I295-K298 PolarHBondContact O-N 3.2Å; I295-K298 VanDerWaalsContact O-N 3.16Å; I295-M299 HydrophobicContact CG2-CG 4.45Å; I295-M299 HydrophobicContact CG2-SD 4.18Å; I295-M299 WeakPolarHBondContact O-CG 3.28Å; I295-M299 PolarHBondContact O-N 3.33Å
296L98.4Very high95.3Very high0 Ų054.7 Ų54.70%030%0.297CS..Hα-helixtrans-60.7-37.5177.6-71.2166.5000111.9Y241 C244 F245 L248 I265 I292 K293 M299 A300Y241-L296 HydrophobicContact CD1-CD2 4.42Å; C244-L296 HydrophobicContact CB-CD1 3.62Å; C244-L296 HydrophobicContact CB-CD2 4.1Å; C244-L296 HydrophobicContact CB-CG 4.48Å; F245-L296 HydrophobicContact CE1-CB 3.91Å; F245-L296 HydrophobicContact CZ-CB 3.88Å; L248-L296 HydrophobicContact CD1-CD1 3.54Å; I265-L296 HydrophobicContact CD1-CD1 4.21Å; I265-L296 HydrophobicContact CG2-CD2 4.3Å; I292-L296 HydrophobicContact CG2-CD1 3.74Å; I292-L296 HydrophobicContact CG2-CG 4.22Å; I292-L296 WeakPolarHBondContact O-CG 3.35Å; I292-L296 PolarHBondContact O-N 2.75Å; K293-L296 PolarHBondContact O-N 3.23Å; L296-M299 HydrophobicContact CD2-SD 4.46Å; L296-M299 PolarHBondContact O-N 3.39Å; L296-A300 WeakPolarHBondContact O-CB 3.37Å; L296-A300 PolarHBondContact O-N 3.36Å
297Q98.3Very high95Very high90 Ų9060.2 Ų60.242%0.42133%0.33SS..Hα-helixtrans-63.4-41.8175.5-17264.360.200111.8F245 K293 E294 I295 A300 N301F245-Q297 HydrophobicContact CZ-CB 4.31Å; K293-Q297 PolarHBondContact O-N 2.99Å; E294-Q297 PolarHBondContact O-N 3.03Å; I295-Q297 VanDerWaalsContact C-N 3.28Å; I295-Q297 PolarHBondContact O-N 3.17Å; Q297-A300 PolarHBondContact O-N 3.01Å; Q297-N301 PolarHBondContact NE2-OD1 3.25Å; Q297-N301 WeakPolarHBondContact O-CB 3.33Å; Q297-N301 PolarHBondContact O-N 2.98Å; Q297-N301 PolarHBondContact O-OD1 2.82Å
298K98Very high95Very high131 Ų13164.6 Ų64.657%0.5735%0.35SS*.Hα-helixtrans-63.4-44.6174.9-70176.1-178.6-177.70111.5Y279 E294 I295 A300 N301 Q302Y279-K298 HydrophobicContact CE1-CB 3.91Å; E294-K298 WeakPolarHBondContact O-CG 3.27Å; E294-K298 PolarHBondContact O-N 3.49Å; I295-K298 WeakPolarHBondContact O-CB 3.42Å; I295-K298 PolarHBondContact O-N 3.2Å; I295-K298 VanDerWaalsContact O-N 3.16Å; K298-A300 PolarHBondContact O-N 3.42Å; K298-N301 PolarHBondContact O-N 3.31Å; K298-Q302 PolarHBondContact O-N 3.28Å
299M97.6Very high94.7Very high0 Ų063.2 Ų63.20%034%0.339CS..Hα-helixtrans-59.1-46.2174.8-69.1177.868.600111.5Y241 A272 L273 Y279 I283 I295 L296 N301 Q302 C303Y241-M299 HydrophobicContact CD1-CB 4.48Å; Y241-M299 HydrophobicContact CE1-CB 3.5Å; Y241-M299 VanDerWaalsContact CE1-CB 3.5Å; Y241-M299 HydrophobicContact CE1-CE 4.36Å; Y241-M299 PolarHBondContact OH-O 2.75Å; A272-M299 HydrophobicContact CB-CE 4.47Å; L273-M299 HydrophobicContact CD2-CE 3.63Å; L273-M299 HydrophobicContact CD2-SD 4.22Å; L273-M299 HydrophobicContact CG-CE 4.17Å; Y279-M299 VanDerWaalsContact CB-SD 3.53Å; Y279-M299 HydrophobicContact CD1-CG 3.45Å; Y279-M299 VanDerWaalsContact CD1-CG 3.45Å; Y279-M299 HydrophobicContact CD1-SD 4.23Å; Y279-M299 HydrophobicContact CD2-CG 3.51Å; Y279-M299 HydrophobicContact CD2-SD 4.31Å; Y279-M299 HydrophobicContact CE1-CG 3.79Å; Y279-M299 HydrophobicContact CE2-CG 3.86Å; Y279-M299 HydrophobicContact CG-CG 3.28Å; Y279-M299 HydrophobicContact CG-SD 3.78Å; I283-M299 HydrophobicContact CD1-SD 3.88Å; I295-M299 HydrophobicContact CG2-CG 4.45Å; I295-M299 HydrophobicContact CG2-SD 4.18Å; I295-M299 WeakPolarHBondContact O-CG 3.28Å; I295-M299 PolarHBondContact O-N 3.33Å; L296-M299 HydrophobicContact CD2-SD 4.46Å; L296-M299 PolarHBondContact O-N 3.39Å; M299-N301 PolarHBondContact O-N 3.02Å; M299-Q302 PolarHBondContact O-N 2.87Å; M299-C303 WeakPolarHBondContact O-CB 3.41Å; M299-C303 PolarHBondContact O-N 3.31Å
300A96Very high94.3Very high19 Ų1966.8 Ų66.816%0.15737%0.365CS..Hα-helixtrans-60.9-43.7178.400000112.1Y241 L296 Q297 K298 Q302 C303 S304Y241-A300 HydrophobicContact CD1-CB 3.92Å; Y241-A300 HydrophobicContact CD2-CB 3.9Å; Y241-A300 HydrophobicContact CE1-CB 4.31Å; Y241-A300 HydrophobicContact CE2-CB 4.29Å; Y241-A300 HydrophobicContact CG-CB 3.71Å; L296-A300 WeakPolarHBondContact O-CB 3.37Å; L296-A300 PolarHBondContact O-N 3.36Å; Q297-A300 PolarHBondContact O-N 3.01Å; K298-A300 PolarHBondContact O-N 3.42Å; A300-Q302 PolarHBondContact O-N 3.3Å; A300-C303 PolarHBondContact O-N 2.89Å; A300-S304 PolarHBondContact O-N 3.01Å
301N96.3Very high93.5Very high100 Ų10061.2 Ų61.254%0.53534%0.344SS..Hα-helixtrans-66.5-35.3177.4-66.1-4.1000112.8Q297 K298 M299 S304Q297-N301 PolarHBondContact NE2-OD1 3.25Å; Q297-N301 WeakPolarHBondContact O-CB 3.33Å; Q297-N301 PolarHBondContact O-N 2.98Å; Q297-N301 PolarHBondContact O-OD1 2.82Å; K298-N301 PolarHBondContact O-N 3.31Å; M299-N301 PolarHBondContact O-N 3.02Å; N301-S304 PolarHBondContact O-OG 2.76Å
302Q93.6Very high92.6Very high72 Ų7266.8 Ų66.834%0.33638%0.381SS..Hα-helixtrans-70.7-40.2173178.8171.6-23.800110.7H276 E278 Y279 K298 M299 A300 S304 S305H276-Q302 PolarHBondContact ND1-NE2 3.5Å; E278-Q302 PolarHBondContact OE1-NE2 2.88Å; Y279-Q302 PolarHBondContact OH-OE1 3.34Å; K298-Q302 PolarHBondContact O-N 3.28Å; M299-Q302 PolarHBondContact O-N 2.87Å; A300-Q302 PolarHBondContact O-N 3.3Å; Q302-S304 VanDerWaalsContact C-N 3.3Å; Q302-S304 PolarHBondContact O-N 2.9Å; Q302-S305 PolarHBondContact O-OG 3.11Å
303C91.5Very high91.7Very high8 Ų871.3 Ų71.35%0.05440%0.402CS..Hα-helixtrans-73.2-19.7-177.6-167.60000113.4Y241 M299 A300 S305 C306 W319Y241-C303 HydrophobicContact CE2-CB 3.65Å; Y241-C303 WeakPolarHBondContact OH-CB 3.34Å; M299-C303 WeakPolarHBondContact O-CB 3.41Å; M299-C303 PolarHBondContact O-N 3.31Å; A300-C303 PolarHBondContact O-N 2.89Å; C303-S305 PolarHBondContact O-N 3.1Å; C303-S305 VanDerWaalsContact O-N 3.15Å; C303-C306 VanDerWaalsContact O-CB 3.24Å; C303-C306 WeakPolarHBondContact O-CB 3.33Å; C303-C306 PolarHBondContact O-N 2.98Å; C303-W319 VanDerWaalsContact SG-CB 3.57Å
304S90.6Very high91Very high101 Ų10171.2 Ų71.271%0.70640%0.403SS*.THydrogen-bonded Turntrans-64.8-16.1178.262.60000113.7A300 N301 Q302A300-S304 PolarHBondContact O-N 3.01Å; N301-S304 PolarHBondContact O-OG 2.76Å; Q302-S304 VanDerWaalsContact C-N 3.3Å; Q302-S304 PolarHBondContact O-N 2.9Å
305S89.3Confident90.3Very high95 Ų9570.4 Ų70.466%0.66441%0.407SS*.THydrogen-bonded Turntrans-95.5-2.6171.963.70000113.5Q302 C303Q302-S305 PolarHBondContact O-OG 3.11Å; C303-S305 PolarHBondContact O-N 3.1Å; C303-S305 VanDerWaalsContact O-N 3.15Å
306C89.9Confident89.8Confident36 Ų3671.6 Ų71.624%0.24341%0.412CS..  trans-72.3135.5178.1-66.40000111C303 W319C303-C306 VanDerWaalsContact O-CB 3.24Å; C303-C306 WeakPolarHBondContact O-CB 3.33Å; C303-C306 PolarHBondContact O-N 2.98Å; C306-W319 HydrophobicContact CB-CE3 3.89Å; C306-W319 HydrophobicContact CB-CH2 4.13Å; C306-W319 HydrophobicContact CB-CZ3 3.44Å; C306-W319 VanDerWaalsContact CB-CZ3 3.44Å
307V88.7Confident89.5Confident130 Ų13073.6 Ų73.679%0.78843%0.426SS*.  trans-113.3-31.3179.3-176.50000111.4
308Q89.3Confident89.2Confident159 Ų15969.4 Ų69.474%0.74341%0.406SS*.SBendtrans-149.2165.8-179.563.1-174.4-2.700110.8
309N88.7Confident89Confident26 Ų2666 Ų6614%0.13939%0.389CS..  trans-73.8153.6170.8-61.6-31.7000110.7S311 L314 H316 P317 H318N309-S311 VanDerWaalsContact C-N 3.29Å; N309-S311 VanDerWaalsContact CB-O 3.27Å; N309-S311 WeakPolarHBondContact CB-O 3.39Å; N309-L314 HydrophobicContact CB-CD1 4.46Å; N309-L314 VanDerWaalsContact ND2-CB 3.35Å; N309-L314 WeakPolarHBondContact ND2-CB 3.43Å; N309-H316 PolarHBondContact ND2-O 2.88Å; N309-P317 WeakPolarHBondContact OD1-CA 3.03Å; N309-H318 WeakPolarHBondContact OD1-CB 3.23Å; N309-H318 PolarHBondContact OD1-N 3.41Å; N309-H318 PolarHBondContact OD1-ND1 3.26Å
310S86.5Confident88.8Confident110 Ų11068 Ų6877%0.76940%0.4SS*.SBendtrans-70.2-30.8168.5-58.20000111.3E275E275-S310 PolarHBondContact OE1-N 3.02Å; E275-S310 WeakPolarHBondContact OE2-CB 3.29Å; E275-S310 PolarHBondContact OE2-N 2.91Å; E275-S310 PolarHBondContact OE2-OG 3.43Å
311S80.7Confident88.8Confident27 Ų2767.1 Ų67.119%0.18939%0.393CS..  trans-98.6129.6173.4-176.30000112N309 E313N309-S311 VanDerWaalsContact C-N 3.29Å; N309-S311 VanDerWaalsContact CB-O 3.27Å; N309-S311 WeakPolarHBondContact CB-O 3.39Å; S311-E313 PolarHBondContact O-N 3.2Å; S311-E313 PolarHBondContact OG-N 3.42Å
312S78.6Confident88.5Confident129 Ų12962.5 Ų62.590%0.90237%0.368SS*.THydrogen-bonded Turntrans-75.1-3.1171.2610000113.8
313E79.8Confident88.3Confident96 Ų9659.3 Ų59.345%0.44935%0.354SS..THydrogen-bonded Turntrans-81.8-18.1-179.1-64.2-169.3-17300113.4S311 K358S311-E313 PolarHBondContact O-N 3.2Å; S311-E313 PolarHBondContact OG-N 3.42Å; E313-K358 WeakPolarHBondContact OE2-CE 3.4Å; E313-K358 IonicContact OE2-NZ 2.88Å; E313-K358 PolarHBondContact OE2-NZ 2.91Å
314L83.7Confident88.1Confident41 Ų4161.7 Ų61.722%0.21536%0.362CS..  trans-78.9127.4179.9-72.9178.1000110.4H271 N309 H316 H318H271-L314 HydrophobicContact CB-CD1 4.08Å; H271-L314 WeakPolarHBondContact ND1-CD2 3.49Å; N309-L314 HydrophobicContact CB-CD1 4.46Å; N309-L314 VanDerWaalsContact ND2-CB 3.35Å; N309-L314 WeakPolarHBondContact ND2-CB 3.43Å; L314-H316 PolarHBondContact O-N 3.38Å; L314-H318 HydrophobicContact CD1-CB 4.38Å
315P83.2Confident87.6Confident87 Ų8763.4 Ų63.457%0.56536%0.359SS*.SBendtrans-69.9-21.7-178.728.2-35000112.9
316H88.3Confident86.8Confident46 Ų4665.6 Ų65.621%0.21335%0.352CS..SBendtrans-133.4156.4-179.4-52.6-65.3000110.9Y204 Q237 N309 L314 H318 Q322Y204-H316 AromaticContact CE1-NE2 3.88Å; Q237-H316 PolarHBondContact NE2-CE1 2.96Å; Q237-H316 VanDerWaalsContact NE2-CE1 3.3Å; Q237-H316 PolarHBondContact NE2-NE2 3.41Å; Q237-H316 PolarHBondContact OE1-CE1 3.29Å; Q237-H316 PolarHBondContact OE1-ND1 3.24Å; N309-H316 PolarHBondContact ND2-O 2.88Å; L314-H316 PolarHBondContact O-N 3.38Å; H316-H318 PolarHBondContact O-N 2.94Å; H316-Q322 HydrophobicContact CB-CB 4.36Å; H316-Q322 PolarHBondContact O-NE2 3.37Å; H316-Q322 PolarHBondContact O-OE1 3.18Å
317P90.9Very high85.8Confident43 Ų4365 Ų6528%0.27935%0.348SS..  trans-52.2138.9170.3-2633.1000113N309 W319 L320 Q322N309-P317 WeakPolarHBondContact OD1-CA 3.03Å; P317-W319 HydrophobicContact CB-CD2 3.59Å; P317-W319 HydrophobicContact CB-CE3 3.84Å; P317-W319 HydrophobicContact CB-CG 4.3Å; P317-W319 HydrophobicContact CB-CH2 3.62Å; P317-W319 HydrophobicContact CB-CZ2 3.35Å; P317-W319 HydrophobicContact CB-CZ3 3.83Å; P317-W319 HydrophobicContact CG-CH2 4.27Å; P317-W319 HydrophobicContact CG-CZ2 3.86Å; P317-W319 PolarHBondContact O-N 2.89Å; P317-W319 VanDerWaalsContact O-N 3.07Å; P317-L320 HydrophobicContact CB-CD1 4.49Å; P317-L320 HydrophobicContact CB-CG 4.34Å; P317-L320 HydrophobicContact CG-CD1 4.27Å; P317-L320 WeakPolarHBondContact O-CB 3.31Å; P317-L320 PolarHBondContact O-N 3.17Å; P317-Q322 PolarHBondContact O-NE2 2.89Å
318H92.8Very high84.5Confident2 Ų263.1 Ų63.11%0.00933%0.333CS..THydrogen-bonded Turntrans-63.1-18.2-172.862.5-94.1000114.1H271 E275 H276 N309 L314 H316 L320H271-H318 HydrophobicContact CB-CB 4.13Å; E275-H318 HydrophobicContact CG-CB 3.84Å; H276-H318 AromaticContact NE2-NE2 3.48Å; H276-H318 PolarHBondContact NE2-NE2 3.02Å; N309-H318 WeakPolarHBondContact OD1-CB 3.23Å; N309-H318 PolarHBondContact OD1-N 3.41Å; N309-H318 PolarHBondContact OD1-ND1 3.26Å; L314-H318 HydrophobicContact CD1-CB 4.38Å; H316-H318 PolarHBondContact O-N 2.94Å; H318-L320 VanDerWaalsContact C-N 3.3Å
319W93.6Very high82.9Confident58 Ų5857.9 Ų57.922%0.2231%0.311CS..THydrogen-bonded Turntrans-81.9-4.8173.65987.8000114C239 I240 Y241 C303 C306 P317C239-W319 CarbonylContact C-O 3.58Å; C239-W319 WeakPolarHBondContact CA-O 3.14Å; I240-W319 VanDerWaalsContact CG1-O 3.29Å; I240-W319 WeakPolarHBondContact CG1-O 3.33Å; I240-W319 PolarHBondContact N-O 3.18Å; Y241-W319 HydrophobicContact CE2-CB 4.26Å; C303-W319 VanDerWaalsContact SG-CB 3.57Å; C306-W319 HydrophobicContact CB-CE3 3.89Å; C306-W319 HydrophobicContact CB-CH2 4.13Å; C306-W319 HydrophobicContact CB-CZ3 3.44Å; C306-W319 VanDerWaalsContact CB-CZ3 3.44Å; P317-W319 HydrophobicContact CB-CD2 3.59Å; P317-W319 HydrophobicContact CB-CE3 3.84Å; P317-W319 HydrophobicContact CB-CG 4.3Å; P317-W319 HydrophobicContact CB-CH2 3.62Å; P317-W319 HydrophobicContact CB-CZ2 3.35Å; P317-W319 HydrophobicContact CB-CZ3 3.83Å; P317-W319 HydrophobicContact CG-CH2 4.27Å; P317-W319 HydrophobicContact CG-CZ2 3.86Å; P317-W319 PolarHBondContact O-N 2.89Å; P317-W319 VanDerWaalsContact O-N 3.07Å
320L93.3Very high81.2Confident43 Ų4362.3 Ų62.323%0.22533%0.33CS..BIsolated β-bridgetrans-101.3140174.7-57.1-175.1000111Q237 P317 H318 Q322Q237-L320 HydrophobicContact CB-CB 4.43Å; P317-L320 HydrophobicContact CB-CD1 4.49Å; P317-L320 HydrophobicContact CB-CG 4.34Å; P317-L320 HydrophobicContact CG-CD1 4.27Å; P317-L320 WeakPolarHBondContact O-CB 3.31Å; P317-L320 PolarHBondContact O-N 3.17Å; H318-L320 VanDerWaalsContact C-N 3.3Å; L320-Q322 PolarHBondContact O-N 3.03Å; L320-Q322 VanDerWaalsContact O-N 3.15Å; L320-Q322 PolarHBondContact O-NE2 3.32Å
321C94.8Very high79.6Confident0 Ų061 Ų610%032%0.321CS..  trans-55.8118.4172.7-78.50000109.7N229 Q237 P238N229-C321 HydrophobicContact CB-CB 3.9Å; Q237-C321 VanDerWaalsContact CB-O 3.3Å; Q237-C321 WeakPolarHBondContact CB-O 3.33Å; Q237-C321 WeakPolarHBondContact CG-O 3.12Å; P238-C321 WeakPolarHBondContact O-CB 3.37Å; P238-C321 PolarHBondContact O-N 3.33Å; P238-C321 PolarHBondContact O-SG 3.45Å
322Q91.1Very high78Confident3 Ų361.8 Ų61.81%0.01432%0.321CS..  trans-149.4149.1179.866.2-172.7-73.300110.3H228 H271 H316 P317 L320H228-Q322 WeakPolarHBondContact CB-O 3.44Å; H271-Q322 WeakPolarHBondContact CD2-CG 3.25Å; H316-Q322 HydrophobicContact CB-CB 4.36Å; H316-Q322 PolarHBondContact O-NE2 3.37Å; H316-Q322 PolarHBondContact O-OE1 3.18Å; P317-Q322 PolarHBondContact O-NE2 2.89Å; L320-Q322 PolarHBondContact O-N 3.03Å; L320-Q322 VanDerWaalsContact O-N 3.15Å; L320-Q322 PolarHBondContact O-NE2 3.32Å
323P88.6Confident76.7Confident6 Ų658.2 Ų58.24%0.03929%0.29CS..  trans-55.8154.9-179.9-29.139.3000113.9Q203 Y204 H271Q203-P323 HydrophobicContact CB-CB 3.86Å; Q203-P323 HydrophobicContact CB-CG 3.69Å; Q203-P323 HydrophobicContact CG-CB 4.35Å; Q203-P323 VanDerWaalsContact O-CG 3.28Å; Q203-P323 WeakPolarHBondContact O-CG 3.32Å; Y204-P323 HydrophobicContact CD1-CG 4.31Å; Y204-P323 HydrophobicContact CD2-CG 4.08Å; Y204-P323 HydrophobicContact CE1-CG 3.89Å; Y204-P323 HydrophobicContact CE2-CB 4.41Å; Y204-P323 HydrophobicContact CE2-CG 3.62Å; Y204-P323 HydrophobicContact CG-CG 4.41Å; Y204-P323 VanDerWaalsContact CZ-CD 3.43Å; Y204-P323 WeakPolarHBondContact OH-CD 3.08Å; H271-P323 PolarHBondContact NE2-O 3.34Å
324Y86.8Confident75.2Confident58 Ų5855.9 Ų55.923%0.22729%0.287CS..  trans-100108.6163.7172.3-112.3000109.6H228 H270H228-Y324 VanDerWaalsContact NE2-CB 3.31Å; H228-Y324 WeakPolarHBondContact NE2-CB 3.41Å; H270-Y324 AromaticContact CD2-CD2 3.93Å; H270-Y324 AromaticContact CE1-CD1 3.93Å; H270-Y324 AromaticContact CE1-CD2 3.24Å; H270-Y324 WeakPolarHBondContact CE1-CD2 3.43Å; H270-Y324 AromaticContact CE1-CE2 3.46Å; H270-Y324 VanDerWaalsContact CE1-CE2 3.46Å; H270-Y324 WeakPolarHBondContact CE1-CE2 3.43Å; H270-Y324 AromaticContact CE1-CG 3.49Å; H270-Y324 VanDerWaalsContact CE1-CG 3.49Å; H270-Y324 AromaticContact CE1-CZ 3.89Å; H270-Y324 AromaticContact ND1-CG 3.98Å; H270-Y324 AromaticContact NE2-CD2 3.21Å; H270-Y324 WeakPolarHBondContact NE2-CD2 3.5Å; H270-Y324 AromaticContact NE2-CE2 3.31Å; H270-Y324 VanDerWaalsContact NE2-CE2 3.31Å; H270-Y324 WeakPolarHBondContact NE2-CE2 3.4Å; H270-Y324 AromaticContact NE2-CG 3.94Å
325E80.8Confident73.6Confident137 Ų13761 Ų6164%0.6431%0.308SS*.PPolyproline II helixtrans-82.6129.1170.4-65.4-171.2-179.400110.5P327E325-P327 WeakPolarHBondContact O-CD 2.78Å
326R73.5Confident72.2Confident140 Ų14059.1 Ų59.153%0.52830%0.295SS..PPolyproline II helixtrans-74.6129.6175.1-176.8-179.3-66.5-117.2-1.9108.3G174 I328G174-R326 PolarHBondContact O-NH1 3.13Å; R326-I328 PolarHBondContact O-N 3.14Å
327P67.6Low70.3Confident24 Ų2461.9 Ų61.916%0.15631%0.308CS..PPolyproline II helixtrans-58.2131.5173-20.529.3000111.2E325 T329 L362E325-P327 WeakPolarHBondContact O-CD 2.78Å; P327-T329 PolarHBondContact O-N 3.33Å; P327-L362 HydrophobicContact CB-CD1 3.52Å; P327-L362 HydrophobicContact CG-CD1 3.35Å; P327-L362 HydrophobicContact CG-CD2 3.52Å; P327-L362 HydrophobicContact CG-CG 4.07Å
328I62.4Low68.3Low90 Ų9065 Ų6546%0.46232%0.321SS..PPolyproline II helixtrans-64.4125.7171.8-52.5175.8000107.5R326 E332 Q333 V336R326-I328 PolarHBondContact O-N 3.14Å; I328-E332 HydrophobicContact CG2-CB 3.47Å; I328-E332 VanDerWaalsContact CG2-CB 3.47Å; I328-Q333 HydrophobicContact CB-CG 4.13Å; I328-Q333 HydrophobicContact CG2-CB 4.3Å; I328-Q333 HydrophobicContact CG2-CG 3.66Å; I328-Q333 VanDerWaalsContact CG2-N 3.32Å; I328-V336 HydrophobicContact CG2-CG2 4.46Å
329T55.7Low66.4Low49 Ų4968 Ų6830%0.30134%0.342SS..PPolyproline II helixtrans-77.5154174.252.70000110.7P327 S331 E332 Q333P327-T329 PolarHBondContact O-N 3.33Å; T329-S331 PolarHBondContact O-N 3.31Å; T329-S331 PolarHBondContact OG1-OG 3.3Å; T329-E332 PolarHBondContact N-OE2 3.21Å; T329-E332 VanDerWaalsContact N-OE2 3.07Å; T329-E332 CarbonylContact O-C 3.55Å; T329-E332 VanDerWaalsContact O-CA 3.3Å; T329-E332 WeakPolarHBondContact O-CA 3.32Å; T329-E332 WeakPolarHBondContact O-CB 3.28Å; T329-E332 PolarHBondContact O-N 2.85Å; T329-E332 WeakPolarHBondContact OG1-CG 3.34Å; T329-E332 PolarHBondContact OG1-OE2 3.42Å; T329-Q333 PolarHBondContact O-N 3.17Å
330F51.6Low64.2Low120 Ų12071.4 Ų71.453%0.52636%0.362SS..Hα-helixtrans-49.3-37.2179.4-79.1-87.4000113.7E332 Q333 A334 V355 K359F330-E332 PolarHBondContact O-N 2.96Å; F330-Q333 PolarHBondContact O-N 3.15Å; F330-A334 PolarHBondContact O-N 2.85Å; F330-V355 HydrophobicContact CE1-CG1 3.86Å; F330-V355 HydrophobicContact CE2-CG1 4.16Å; F330-V355 HydrophobicContact CZ-CB 4.45Å; F330-V355 HydrophobicContact CZ-CG1 3.46Å; F330-V355 VanDerWaalsContact CZ-CG1 3.46Å; F330-K359 HydrophobicContact CE2-CD 4.07Å
331S53.1Low61.9Low83 Ų8374.3 Ų74.358%0.5837%0.374SS*.Hα-helixtrans-68.5-21.2175.8600000114T329 K335T329-S331 PolarHBondContact O-N 3.31Å; T329-S331 PolarHBondContact OG1-OG 3.3Å; S331-K335 WeakPolarHBondContact O-CG 3.25Å
332E48.5Very low59.7Low42 Ų4278.4 Ų78.420%0.19641%0.409CS..Hα-helixtrans-93.9-32.1175-68.7171.2140.400111.7I328 T329 F330 A334 K335 V336I328-E332 HydrophobicContact CG2-CB 3.47Å; I328-E332 VanDerWaalsContact CG2-CB 3.47Å; T329-E332 PolarHBondContact N-OE2 3.21Å; T329-E332 VanDerWaalsContact N-OE2 3.07Å; T329-E332 CarbonylContact O-C 3.55Å; T329-E332 VanDerWaalsContact O-CA 3.3Å; T329-E332 WeakPolarHBondContact O-CA 3.32Å; T329-E332 WeakPolarHBondContact O-CB 3.28Å; T329-E332 PolarHBondContact O-N 2.85Å; T329-E332 WeakPolarHBondContact OG1-CG 3.34Å; T329-E332 PolarHBondContact OG1-OE2 3.42Å; F330-E332 PolarHBondContact O-N 2.96Å; E332-A334 VanDerWaalsContact C-N 3.34Å; E332-A334 PolarHBondContact O-N 2.83Å; E332-K335 CarbonylContact O-C 3.32Å; E332-K335 PolarHBondContact O-N 3.17Å; E332-V336 WeakPolarHBondContact O-CB 2.97Å; E332-V336 VanDerWaalsContact O-CG2 3.27Å; E332-V336 WeakPolarHBondContact O-CG2 3.28Å; E332-V336 PolarHBondContact O-N 2.98Å
333Q50.1Low57.6Low54 Ų5483.7 Ų83.725%0.25244%0.441SS..Hα-helixtrans-56.8-50.1173.4-84.5177.4-4600110.3I328 T329 F330 K335 V336 E337I328-Q333 HydrophobicContact CB-CG 4.13Å; I328-Q333 HydrophobicContact CG2-CB 4.3Å; I328-Q333 HydrophobicContact CG2-CG 3.66Å; I328-Q333 VanDerWaalsContact CG2-N 3.32Å; T329-Q333 PolarHBondContact O-N 3.17Å; F330-Q333 PolarHBondContact O-N 3.15Å; Q333-K335 PolarHBondContact O-N 2.88Å; Q333-V336 PolarHBondContact O-N 3.49Å; Q333-E337 VanDerWaalsContact O-CB 3.29Å; Q333-E337 WeakPolarHBondContact O-CB 3.35Å; Q333-E337 VanDerWaalsContact O-CG 3.28Å; Q333-E337 WeakPolarHBondContact O-CG 3.44Å; Q333-E337 PolarHBondContact O-N 3.47Å
334A49.6Very low54.9Low47 Ų4788.9 Ų88.939%0.38847%0.468SS..Hα-helixtrans-57.9-36.117500000112.5F330 E332 I338F330-A334 PolarHBondContact O-N 2.85Å; E332-A334 VanDerWaalsContact C-N 3.34Å; E332-A334 PolarHBondContact O-N 2.83Å; A334-I338 WeakPolarHBondContact O-CB 3.39Å; A334-I338 WeakPolarHBondContact O-CD1 3.4Å; A334-I338 WeakPolarHBondContact O-CG1 3.33Å; A334-I338 PolarHBondContact O-N 3.21Å
335K49.9Very low52.3Low149 Ų14990.1 Ų90.165%0.64850%0.499SS*.Hα-helixtrans-77.7-36.5179-73.7-179.5173.3-1730113.7S331 E332 Q333 S339S331-K335 WeakPolarHBondContact O-CG 3.25Å; E332-K335 CarbonylContact O-C 3.32Å; E332-K335 PolarHBondContact O-N 3.17Å; Q333-K335 PolarHBondContact O-N 2.88Å; K335-S339 WeakPolarHBondContact O-CB 3.23Å; K335-S339 PolarHBondContact O-N 3.46Å; K335-S339 PolarHBondContact O-OG 3.32Å
336V53.4Low50.1Low47 Ų4788 Ų8829%0.28550%0.499SS..Hα-helixtrans-68.5-45.5176.4171.60000108.7I328 E332 Q333 S339 M340I328-V336 HydrophobicContact CG2-CG2 4.46Å; E332-V336 WeakPolarHBondContact O-CB 2.97Å; E332-V336 VanDerWaalsContact O-CG2 3.27Å; E332-V336 WeakPolarHBondContact O-CG2 3.28Å; E332-V336 PolarHBondContact O-N 2.98Å; Q333-V336 PolarHBondContact O-N 3.49Å; V336-S339 WeakPolarHBondContact CA-OG 3.33Å; V336-S339 CarbonylContact O-C 3.41Å; V336-S339 PolarHBondContact O-N 2.75Å; V336-S339 VanDerWaalsContact O-N 3.14Å; V336-S339 PolarHBondContact O-OG 3.01Å; V336-M340 HydrophobicContact CG1-CE 4.2Å; V336-M340 HydrophobicContact CG1-CG 4.33Å; V336-M340 HydrophobicContact CG1-SD 3.97Å; V336-M340 WeakPolarHBondContact O-CB 3.36Å; V336-M340 WeakPolarHBondContact O-CG 3.4Å; V336-M340 PolarHBondContact O-N 3.33Å
337E47.4Very low48Very low104 Ų10488.9 Ų88.949%0.48651%0.514SS..Hα-helixtrans-57.1-49.6172.1-73.7165.3-166.600110.8Q333 S339 M340 Q341Q333-E337 VanDerWaalsContact O-CB 3.29Å; Q333-E337 WeakPolarHBondContact O-CB 3.35Å; Q333-E337 VanDerWaalsContact O-CG 3.28Å; Q333-E337 WeakPolarHBondContact O-CG 3.44Å; Q333-E337 PolarHBondContact O-N 3.47Å; E337-S339 VanDerWaalsContact C-N 3.32Å; E337-S339 PolarHBondContact O-N 2.86Å; E337-M340 PolarHBondContact O-N 2.87Å; E337-Q341 VanDerWaalsContact O-CB 3.23Å; E337-Q341 WeakPolarHBondContact O-CB 3.31Å; E337-Q341 WeakPolarHBondContact O-CG 3.32Å; E337-Q341 PolarHBondContact O-N 2.55Å
338I50.5Low46.4Very low108 Ų10897.2 Ų97.255%0.55455%0.548SS*.Hα-helixtrans-59.3-40.6174.3-70.6162.8000111.8A334 A342A334-I338 WeakPolarHBondContact O-CB 3.39Å; A334-I338 WeakPolarHBondContact O-CD1 3.4Å; A334-I338 WeakPolarHBondContact O-CG1 3.33Å; A334-I338 PolarHBondContact O-N 3.21Å; I338-A342 WeakPolarHBondContact O-CB 3.5Å; I338-A342 PolarHBondContact O-N 2.82Å
339S51.1Low44.8Very low65 Ų65101.6 Ų101.646%0.45557%0.567SS.*Hα-helixtrans-71.4-33.6179.572.60000113.3K335 V336 E337 V343K335-S339 WeakPolarHBondContact O-CB 3.23Å; K335-S339 PolarHBondContact O-N 3.46Å; K335-S339 PolarHBondContact O-OG 3.32Å; V336-S339 WeakPolarHBondContact CA-OG 3.33Å; V336-S339 CarbonylContact O-C 3.41Å; V336-S339 PolarHBondContact O-N 2.75Å; V336-S339 VanDerWaalsContact O-N 3.14Å; V336-S339 PolarHBondContact O-OG 3.01Å; E337-S339 VanDerWaalsContact C-N 3.32Å; E337-S339 PolarHBondContact O-N 2.86Å; S339-V343 WeakPolarHBondContact O-CG2 3.32Å
340M48.2Very low43.6Very low131 Ų131102.8 Ų102.865%0.64559%0.588SS**Hα-helixtrans-75.4-36.7175.2-74.6-177.7161.500110.9V336 E337 V343 N344V336-M340 HydrophobicContact CG1-CE 4.2Å; V336-M340 HydrophobicContact CG1-CG 4.33Å; V336-M340 HydrophobicContact CG1-SD 3.97Å; V336-M340 WeakPolarHBondContact O-CB 3.36Å; V336-M340 WeakPolarHBondContact O-CG 3.4Å; V336-M340 PolarHBondContact O-N 3.33Å; E337-M340 PolarHBondContact O-N 2.87Å; M340-V343 PolarHBondContact O-N 2.98Å; M340-N344 PolarHBondContact O-N 2.85Å
341Q46Very low42.6Very low103 Ų103104.3 Ų104.348%0.48161%0.607SS.*Hα-helixtrans-68.4-33.8173.8-74167.2-4.300112.5E337 V343 N344E337-Q341 VanDerWaalsContact O-CB 3.23Å; E337-Q341 WeakPolarHBondContact O-CB 3.31Å; E337-Q341 WeakPolarHBondContact O-CG 3.32Å; E337-Q341 PolarHBondContact O-N 2.55Å; Q341-V343 PolarHBondContact O-N 2.93Å; Q341-N344 CarbonylContact O-C 3.26Å; Q341-N344 VanDerWaalsContact O-C 3.26Å; Q341-N344 PolarHBondContact O-N 3.07Å; Q341-N344 VanDerWaalsContact O-O 3.09Å
342A48.2Very low41.8Very low87 Ų87106 Ų10672%0.71961%0.61SS**THydrogen-bonded Turntrans-65.3-20.8172.700000112.8I338I338-A342 WeakPolarHBondContact O-CB 3.5Å; I338-A342 PolarHBondContact O-N 2.82Å
343V47.3Very low41.4Very low114 Ų114109 Ų10969%0.69164%0.635SS**THydrogen-bonded Turntrans-92.4-37.8175.8179.30000111.2S339 M340 Q341S339-V343 WeakPolarHBondContact O-CG2 3.32Å; M340-V343 PolarHBondContact O-N 2.98Å; Q341-V343 PolarHBondContact O-N 2.93Å
344N31.8Very low41Very low114 Ų114112.7 Ų112.761%0.6166%0.657SS**SBendtrans-125.9100.7-179.2-68.6-24.3000109.7M340 Q341 S346M340-N344 PolarHBondContact O-N 2.85Å; Q341-N344 CarbonylContact O-C 3.26Å; Q341-N344 VanDerWaalsContact O-C 3.26Å; Q341-N344 PolarHBondContact O-N 3.07Å; Q341-N344 VanDerWaalsContact O-O 3.09Å; N344-S346 PolarHBondContact O-N 3.37Å
345G31.7Very low40.7Very low84 Ų84112.7 Ų112.787%0.86665%0.652SS**  trans-65.298.5175.300000111.4
346S34.1Very low41Very low92 Ų92109.2 Ų109.264%0.64365%0.646SS**  trans-157.4136.8164.854.40000112.5N344N344-S346 PolarHBondContact O-N 3.37Å
347D30.5Very low41Very low159 Ų159110.2 Ų110.285%0.8566%0.659SS**  trans-77.3134.7173.7-67.3-47.7000111
348F33.6Very low41.2Very low200 Ų200109.1 Ų109.188%0.87765%0.653SS**  trans-158.3146.2150.1-140.1-103000115.4
349H28.4Very low41.6Very low182 Ų182108.9 Ų108.984%0.84365%0.648SS**  trans-84.1141.3175-85.1-85.6000112.7
350G30.2Very low42.3Very low73 Ų73110.5 Ų110.575%0.75365%0.65SS**  trans145.696.8159.700000113.6D352G350-D352 PolarHBondContact O-N 3.31Å
351V31Very low43.1Very low152 Ų152107.4 Ų107.492%0.92164%0.635SS**  trans-87.3105.3172.6179.70000108.5
352D37.3Very low43.9Very low119 Ų119103.7 Ų103.764%0.63662%0.619SS**  trans-75135.3-177-115.4-25.8000113.3G350 N354G350-D352 PolarHBondContact O-N 3.31Å; D352-N354 PolarHBondContact O-N 3.3Å; D352-N354 VanDerWaalsContact O-N 3.16Å
353S39Very low45Very low106 Ų106105 Ų10574%0.74161%0.611SS**THydrogen-bonded Turntrans-69.8-3.9-177.336.60000115.7V355S353-V355 VanDerWaalsContact C-N 3.33Å; S353-V355 PolarHBondContact O-N 3.24Å
354N41.3Very low46Very low131 Ų131105 Ų10570%0.70160%0.604SS**THydrogen-bonded Turntrans-74.5-14.5-177.8-89.6-23.7000114.9D352 S356D352-N354 PolarHBondContact O-N 3.3Å; D352-N354 VanDerWaalsContact O-N 3.16Å; N354-S356 PolarHBondContact O-N 2.86Å
355V44.4Very low47.8Very low47 Ų47101 Ų10129%0.28558%0.581SS.*Hα-helixtrans-68.8-19.1-176.2-173.50000112.9F330 S353 K359F330-V355 HydrophobicContact CE1-CG1 3.86Å; F330-V355 HydrophobicContact CE2-CG1 4.16Å; F330-V355 HydrophobicContact CZ-CB 4.45Å; F330-V355 HydrophobicContact CZ-CG1 3.46Å; F330-V355 VanDerWaalsContact CZ-CG1 3.46Å; S353-V355 VanDerWaalsContact C-N 3.33Å; S353-V355 PolarHBondContact O-N 3.24Å; V355-K359 PolarHBondContact O-N 3.43Å
356S55.7Low49.7Very low76 Ų76103.2 Ų103.253%0.53156%0.563SS.*Hα-helixtrans-67.8-46.3-178.5-175.60000113.2N354 K358 K359 I360N354-S356 PolarHBondContact O-N 2.86Å; S356-K358 PolarHBondContact O-N 2.85Å; S356-K359 PolarHBondContact O-N 2.88Å; S356-I360 WeakPolarHBondContact O-CG1 3.46Å; S356-I360 PolarHBondContact O-N 2.93Å; S356-I360 VanDerWaalsContact O-N 3.13Å
357A53.1Low51.5Low67 Ų67108 Ų10855%0.55457%0.567SS**Hα-helixtrans-64.2-45-175.900000112.1K359 I360 M361A357-K359 VanDerWaalsContact C-N 3.33Å; A357-K359 PolarHBondContact O-N 3.29Å; A357-I360 PolarHBondContact O-N 3.1Å; A357-M361 PolarHBondContact O-N 3.31Å
358K51Low53.4Low82 Ų82103.6 Ų103.636%0.35754%0.544SS..Hα-helixtrans-58.7-42.4176.7-172170.1-173.6126.40112.1E313 S356 L362E313-K358 WeakPolarHBondContact OE2-CE 3.4Å; E313-K358 IonicContact OE2-NZ 2.88Å; E313-K358 PolarHBondContact OE2-NZ 2.91Å; S356-K358 PolarHBondContact O-N 2.85Å; K358-L362 HydrophobicContact CG-CD1 3.99Å; K358-L362 WeakPolarHBondContact O-CB 3.32Å; K358-L362 WeakPolarHBondContact O-CD1 3.45Å; K358-L362 WeakPolarHBondContact O-CG 3.41Å; K358-L362 PolarHBondContact O-N 3.45Å
359K59.7Low55.2Low102 Ų10297 Ų9744%0.44351%0.513SS..Hα-helixtrans-63.3-42.7177.2-169.7-173.6-170.7173.90111.7F330 V355 S356 A357 L362 M363F330-K359 HydrophobicContact CE2-CD 4.07Å; V355-K359 PolarHBondContact O-N 3.43Å; S356-K359 PolarHBondContact O-N 2.88Å; A357-K359 VanDerWaalsContact C-N 3.33Å; A357-K359 PolarHBondContact O-N 3.29Å; K359-L362 PolarHBondContact O-N 3.49Å; K359-M363 HydrophobicContact CD-CE 4.42Å; K359-M363 HydrophobicContact CG-CE 4.22Å; K359-M363 WeakPolarHBondContact O-CG 3.42Å; K359-M363 PolarHBondContact O-N 2.95Å
360I66.1Low57.5Low99 Ų9995.6 Ų95.651%0.50851%0.505SS..Hα-helixtrans-63.6-52.5178.6-67.3166.6000110S356 A357 L362 M363 E364S356-I360 WeakPolarHBondContact O-CG1 3.46Å; S356-I360 PolarHBondContact O-N 2.93Å; S356-I360 VanDerWaalsContact O-N 3.13Å; A357-I360 PolarHBondContact O-N 3.1Å; I360-L362 VanDerWaalsContact C-N 3.28Å; I360-L362 PolarHBondContact O-N 2.67Å; I360-M363 WeakPolarHBondContact O-CB 3.29Å; I360-M363 PolarHBondContact O-N 3.27Å; I360-M363 VanDerWaalsContact O-N 3.09Å; I360-E364 PolarHBondContact O-N 3.28Å
361M65.3Low59.5Low67 Ų6793.9 Ų93.933%0.3348%0.483SS..Hα-helixtrans-54.7-43.9177.7-174.5-174.579.100111.7A357 E364 Q365A357-M361 PolarHBondContact O-N 3.31Å; M361-E364 WeakPolarHBondContact O-CB 3.33Å; M361-E364 PolarHBondContact O-N 3.49Å; M361-Q365 WeakPolarHBondContact O-CG 3.46Å; M361-Q365 PolarHBondContact O-N 2.98Å
362L62.6Low61.5Low25 Ų2587.1 Ų87.113%0.13144%0.443CS..Hα-helixtrans-69-36.6178.8-70.6167.5000113.4P327 K358 K359 I360 E364 R366P327-L362 HydrophobicContact CB-CD1 3.52Å; P327-L362 HydrophobicContact CG-CD1 3.35Å; P327-L362 HydrophobicContact CG-CD2 3.52Å; P327-L362 HydrophobicContact CG-CG 4.07Å; K358-L362 HydrophobicContact CG-CD1 3.99Å; K358-L362 WeakPolarHBondContact O-CB 3.32Å; K358-L362 WeakPolarHBondContact O-CD1 3.45Å; K358-L362 WeakPolarHBondContact O-CG 3.41Å; K358-L362 PolarHBondContact O-N 3.45Å; K359-L362 PolarHBondContact O-N 3.49Å; I360-L362 VanDerWaalsContact C-N 3.28Å; I360-L362 PolarHBondContact O-N 2.67Å; L362-E364 VanDerWaalsContact C-N 3.29Å; L362-R366 WeakPolarHBondContact O-CB 3.14Å; L362-R366 WeakPolarHBondContact O-CG 3.29Å; L362-R366 PolarHBondContact O-N 3.14Å
363M70.4Confident63.2Low114 Ų11488.9 Ų88.956%0.56245%0.445SS*.Hα-helixtrans-64-39.9173.5-77.8-172.5175.100110.8K359 I360 R366 R367K359-M363 HydrophobicContact CD-CE 4.42Å; K359-M363 HydrophobicContact CG-CE 4.22Å; K359-M363 WeakPolarHBondContact O-CG 3.42Å; K359-M363 PolarHBondContact O-N 2.95Å; I360-M363 WeakPolarHBondContact O-CB 3.29Å; I360-M363 PolarHBondContact O-N 3.27Å; I360-M363 VanDerWaalsContact O-N 3.09Å; M363-R366 PolarHBondContact O-N 3.29Å; M363-R367 WeakPolarHBondContact O-CB 3.24Å; M363-R367 PolarHBondContact O-N 3.41Å
364E69.5Low65Low114 Ų11491.4 Ų91.453%0.53344%0.442SS..Hα-helixtrans-66.6-49.6176.2-173.6161.4-15400112.1I360 M361 L362 R366 R367 N368I360-E364 PolarHBondContact O-N 3.28Å; M361-E364 WeakPolarHBondContact O-CB 3.33Å; M361-E364 PolarHBondContact O-N 3.49Å; L362-E364 VanDerWaalsContact C-N 3.29Å; E364-R366 VanDerWaalsContact C-N 3.26Å; E364-R366 PolarHBondContact O-N 2.93Å; E364-R367 CarbonylContact O-C 3.19Å; E364-R367 WeakPolarHBondContact O-CA 3.24Å; E364-R367 WeakPolarHBondContact O-CB 3.39Å; E364-R367 PolarHBondContact O-N 3.37Å; E364-N368 WeakPolarHBondContact O-CB 3.46Å; E364-N368 VanDerWaalsContact O-CG 3.27Å; E364-N368 PolarHBondContact O-N 3.22Å; E364-N368 PolarHBondContact O-OD1 3Å
365Q69.2Low66.6Low31 Ų3189.7 Ų89.715%0.14543%0.43CS..Hα-helixtrans-54.6-41.7172.7-73.6-179.1-3.600112.1D274 M361 N368 R369D274-Q365 PolarHBondContact OD2-NE2 3.47Å; M361-Q365 WeakPolarHBondContact O-CG 3.46Å; M361-Q365 PolarHBondContact O-N 2.98Å; Q365-N368 PolarHBondContact O-N 3.39Å; Q365-R369 WeakPolarHBondContact O-CB 3.32Å; Q365-R369 VanDerWaalsContact O-CG 3.24Å; Q365-R369 WeakPolarHBondContact O-CG 3.49Å; Q365-R369 PolarHBondContact O-N 3.17Å
366R70.7Confident68Low129 Ų12988.4 Ų88.449%0.48742%0.423SS..Hα-helixtrans-66.3-40.4175.4-75.1172.2-177.3-1765.4112.1L362 M363 E364 R369 K370L362-R366 WeakPolarHBondContact O-CB 3.14Å; L362-R366 WeakPolarHBondContact O-CG 3.29Å; L362-R366 PolarHBondContact O-N 3.14Å; M363-R366 PolarHBondContact O-N 3.29Å; E364-R366 VanDerWaalsContact C-N 3.26Å; E364-R366 PolarHBondContact O-N 2.93Å; R366-R369 PolarHBondContact O-N 3.26Å; R366-K370 WeakPolarHBondContact O-CG 3.45Å; R366-K370 PolarHBondContact O-N 3.1Å
367R72.7Confident68.9Low192 Ų19292.5 Ų92.573%0.72543%0.431SS*.Hα-helixtrans-61.9-46175.3-174.7-179.7176.9178-1.6109.9M363 E364 R369 K370 A371M363-R367 WeakPolarHBondContact O-CB 3.24Å; M363-R367 PolarHBondContact O-N 3.41Å; E364-R367 CarbonylContact O-C 3.19Å; E364-R367 WeakPolarHBondContact O-CA 3.24Å; E364-R367 WeakPolarHBondContact O-CB 3.39Å; E364-R367 PolarHBondContact O-N 3.37Å; R367-R369 PolarHBondContact O-N 3.37Å; R367-K370 PolarHBondContact O-N 2.98Å; R367-K370 VanDerWaalsContact O-N 3.16Å; R367-A371 WeakPolarHBondContact O-CB 3.36Å; R367-A371 PolarHBondContact O-N 2.9Å
368N70.6Confident70.1Confident68 Ų6894 Ų9436%0.36443%0.429SS..Hα-helixtrans-63.2-42.9177.9-65.6-8.1000111.4E364 Q365 K370 A371 S372E364-N368 WeakPolarHBondContact O-CB 3.46Å; E364-N368 VanDerWaalsContact O-CG 3.27Å; E364-N368 PolarHBondContact O-N 3.22Å; E364-N368 PolarHBondContact O-OD1 3Å; Q365-N368 PolarHBondContact O-N 3.39Å; N368-K370 PolarHBondContact O-N 3.4Å; N368-A371 PolarHBondContact O-N 2.98Å; N368-S372 WeakPolarHBondContact O-CB 3.3Å; N368-S372 PolarHBondContact O-N 3.26Å
369R71.8Confident71.2Confident62 Ų6292.1 Ų92.123%0.23443%0.429CS..Hα-helixtrans-60.3-40.9172.9-74.8171.7-167.8-167.25112.9H270 D274 Q365 R366 R367 K373H270-R369 PolarHBondContact CE1-NH2 3.45Å; H270-R369 VanDerWaalsContact CE1-NH2 3.25Å; H270-R369 PolarHBondContact NE2-NH2 3.48Å; D274-R369 IonicContact OD1-NH2 3.99Å; D274-R369 IonicContact OD2-NH2 3.03Å; Q365-R369 WeakPolarHBondContact O-CB 3.32Å; Q365-R369 VanDerWaalsContact O-CG 3.24Å; Q365-R369 WeakPolarHBondContact O-CG 3.49Å; Q365-R369 PolarHBondContact O-N 3.17Å; R366-R369 PolarHBondContact O-N 3.26Å; R367-R369 PolarHBondContact O-N 3.37Å; R369-K373 WeakPolarHBondContact O-CG 3.48Å; R369-K373 PolarHBondContact O-N 3.3Å
370K74.9Confident71.7Confident152 Ų15291 Ų9166%0.66142%0.424SS*.Hα-helixtrans-72.4-41177.7-76-180179.8179.40111.8R366 R367 N368 K373 K374R366-K370 WeakPolarHBondContact O-CG 3.45Å; R366-K370 PolarHBondContact O-N 3.1Å; R367-K370 PolarHBondContact O-N 2.98Å; R367-K370 VanDerWaalsContact O-N 3.16Å; N368-K370 PolarHBondContact O-N 3.4Å; K370-K373 PolarHBondContact O-N 3.01Å; K370-K374 WeakPolarHBondContact O-CG 3.4Å; K370-K374 PolarHBondContact O-N 3.11Å
371A72.7Confident72.1Confident37 Ų3793 Ų9331%0.30643%0.429SS..Hα-helixtrans-60.9-51.1176.100000110.4R367 N368 K373 K374 E375R367-A371 WeakPolarHBondContact O-CB 3.36Å; R367-A371 PolarHBondContact O-N 2.9Å; N368-A371 PolarHBondContact O-N 2.98Å; A371-K373 VanDerWaalsContact C-N 3.34Å; A371-K373 PolarHBondContact O-N 2.88Å; A371-K374 CarbonylContact O-C 3.57Å; A371-K374 WeakPolarHBondContact O-CA 3.07Å; A371-K374 WeakPolarHBondContact O-CB 3.4Å; A371-K374 PolarHBondContact O-N 3.3Å; A371-E375 WeakPolarHBondContact O-CG 3.47Å; A371-E375 PolarHBondContact O-N 3.47Å
372S72.6Confident72.5Confident10 Ų1093.7 Ų93.77%0.0743%0.434CS..Hα-helixtrans-58.4-41.2175.9-175.20000112.5S281 N368 K374 E375 V376S281-S372 PolarHBondContact OG-OG 2.75Å; N368-S372 WeakPolarHBondContact O-CB 3.3Å; N368-S372 PolarHBondContact O-N 3.26Å; S372-K374 VanDerWaalsContact C-N 3.3Å; S372-K374 PolarHBondContact O-N 3.15Å; S372-E375 PolarHBondContact O-N 3.34Å; S372-V376 WeakPolarHBondContact O-CB 3.3Å; S372-V376 WeakPolarHBondContact O-CG2 3.41Å; S372-V376 PolarHBondContact O-N 3.11Å
373K74.1Confident72.8Confident155 Ų15593.6 Ų93.667%0.67444%0.437SS*.Hα-helixtrans-61.9-34.8172.8-79.4-177.9-179.8-1780113.2R369 K370 A371 K377R369-K373 WeakPolarHBondContact O-CG 3.48Å; R369-K373 PolarHBondContact O-N 3.3Å; K370-K373 PolarHBondContact O-N 3.01Å; A371-K373 VanDerWaalsContact C-N 3.34Å; A371-K373 PolarHBondContact O-N 2.88Å; K373-K377 WeakPolarHBondContact O-CG 3.5Å; K373-K377 PolarHBondContact O-N 2.66Å
374K77.2Confident72.5Confident159 Ų15992 Ų9269%0.69143%0.429SS*.Hα-helixtrans-72.3-44.7175.4-73.9-179.7177.5-174.60110.9K370 A371 S372 K377 L378K370-K374 WeakPolarHBondContact O-CG 3.4Å; K370-K374 PolarHBondContact O-N 3.11Å; A371-K374 CarbonylContact O-C 3.57Å; A371-K374 WeakPolarHBondContact O-CA 3.07Å; A371-K374 WeakPolarHBondContact O-CB 3.4Å; A371-K374 PolarHBondContact O-N 3.3Å; S372-K374 VanDerWaalsContact C-N 3.3Å; S372-K374 PolarHBondContact O-N 3.15Å; K374-K377 WeakPolarHBondContact O-CB 3.48Å; K374-K377 PolarHBondContact O-N 3.33Å; K374-L378 WeakPolarHBondContact O-CB 3.39Å; K374-L378 PolarHBondContact O-N 3.2Å
375E74.5Confident72.6Confident95 Ų9591.9 Ų91.944%0.44444%0.436SS..Hα-helixtrans-58.4-47.1174.8-73.6168.5-170.800111.5S281 A371 S372 K377 L378 A379S281-E375 PolarHBondContact OG-OE2 3.44Å; A371-E375 WeakPolarHBondContact O-CG 3.47Å; A371-E375 PolarHBondContact O-N 3.47Å; S372-E375 PolarHBondContact O-N 3.34Å; E375-K377 VanDerWaalsContact C-N 3.29Å; E375-K377 PolarHBondContact O-N 3.1Å; E375-L378 CarbonylContact O-C 3.18Å; E375-L378 PolarHBondContact O-N 2.76Å; E375-L378 VanDerWaalsContact O-N 3.12Å; E375-A379 VanDerWaalsContact O-CB 3.25Å; E375-A379 WeakPolarHBondContact O-CB 3.33Å; E375-A379 PolarHBondContact O-N 3.18Å
376V73.1Confident72.9Confident21 Ų2195.6 Ų95.613%0.12745%0.454CS..Hα-helixtrans-59.6-40.4176.2171.90000111.4G284 T285 S372 K380G284-V376 WeakPolarHBondContact O-CG2 3.45Å; T285-V376 HydrophobicContact CG2-CB 4.38Å; T285-V376 HydrophobicContact CG2-CG2 3.68Å; S372-V376 WeakPolarHBondContact O-CB 3.3Å; S372-V376 WeakPolarHBondContact O-CG2 3.41Å; S372-V376 PolarHBondContact O-N 3.11Å; V376-K380 HydrophobicContact CG1-CD 4.37Å; V376-K380 WeakPolarHBondContact O-CB 3.19Å; V376-K380 VanDerWaalsContact O-CG 3.23Å; V376-K380 WeakPolarHBondContact O-CG 3.38Å; V376-K380 PolarHBondContact O-N 3.05Å; V376-K380 VanDerWaalsContact O-N 3.07Å
377K75.3Confident72.6Confident162 Ų16290.7 Ų90.770%0.70444%0.443SS*.Hα-helixtrans-68-40.5175.5-76179.8179-1730111.8K373 K374 E375 K381K373-K377 WeakPolarHBondContact O-CG 3.5Å; K373-K377 PolarHBondContact O-N 2.66Å; K374-K377 WeakPolarHBondContact O-CB 3.48Å; K374-K377 PolarHBondContact O-N 3.33Å; E375-K377 VanDerWaalsContact C-N 3.29Å; E375-K377 PolarHBondContact O-N 3.1Å; K377-K381 PolarHBondContact O-N 3.28Å
378L78.2Confident72.5Confident97 Ų9787.8 Ų87.851%0.50844%0.436SS..Hα-helixtrans-69.8-48.1179.2-179.961.1000111.5K374 E375 K380 K381 L382K374-L378 WeakPolarHBondContact O-CB 3.39Å; K374-L378 PolarHBondContact O-N 3.2Å; E375-L378 CarbonylContact O-C 3.18Å; E375-L378 PolarHBondContact O-N 2.76Å; E375-L378 VanDerWaalsContact O-N 3.12Å; L378-K380 VanDerWaalsContact C-N 3.27Å; L378-K380 PolarHBondContact O-N 3.42Å; L378-K381 CarbonylContact O-C 3.46Å; L378-K381 WeakPolarHBondContact O-CA 3.05Å; L378-K381 WeakPolarHBondContact O-CB 3.42Å; L378-K381 PolarHBondContact O-N 3.36Å; L378-L382 HydrophobicContact CD1-CD1 4.31Å; L378-L382 HydrophobicContact CD1-CG 4.17Å; L378-L382 HydrophobicContact CG-CD1 3.99Å; L378-L382 HydrophobicContact CG-CG 4.31Å; L378-L382 WeakPolarHBondContact O-CG 3.31Å; L378-L382 PolarHBondContact O-N 3.12Å
379A74.4Confident72.5Confident44 Ų4485.5 Ų85.536%0.36442%0.423SS..Hα-helixtrans-57.3-41.5174.200000111.2T285 E375 K381 L382 A383T285-A379 HydrophobicContact CG2-CB 4.46Å; E375-A379 VanDerWaalsContact O-CB 3.25Å; E375-A379 WeakPolarHBondContact O-CB 3.33Å; E375-A379 PolarHBondContact O-N 3.18Å; A379-K381 VanDerWaalsContact C-N 3.35Å; A379-K381 PolarHBondContact O-N 3.4Å; A379-L382 PolarHBondContact O-N 3.06Å; A379-A383 VanDerWaalsContact O-CB 3.23Å; A379-A383 WeakPolarHBondContact O-CB 3.32Å; A379-A383 PolarHBondContact O-N 3.39Å
380K69.2Low72.8Confident77 Ų7786 Ų8634%0.33543%0.43SS..Hα-helixtrans-60.7-42.2170.4-78.8177.5-180-177.60112V376 L378 I384V376-K380 HydrophobicContact CG1-CD 4.37Å; V376-K380 WeakPolarHBondContact O-CB 3.19Å; V376-K380 VanDerWaalsContact O-CG 3.23Å; V376-K380 WeakPolarHBondContact O-CG 3.38Å; V376-K380 PolarHBondContact O-N 3.05Å; V376-K380 VanDerWaalsContact O-N 3.07Å; L378-K380 VanDerWaalsContact C-N 3.27Å; L378-K380 PolarHBondContact O-N 3.42Å; K380-I384 VanDerWaalsContact O-CG1 3.23Å; K380-I384 WeakPolarHBondContact O-CG1 3.24Å; K380-I384 PolarHBondContact O-N 2.89Å
381K74.3Confident73.1Confident142 Ų14278.8 Ų78.862%0.61740%0.399SS*.Hα-helixtrans-67.3-44.1177.9-168.7-179.2178.1-173.70112.2K377 L378 A379 I384 V385K377-K381 PolarHBondContact O-N 3.28Å; L378-K381 CarbonylContact O-C 3.46Å; L378-K381 WeakPolarHBondContact O-CA 3.05Å; L378-K381 WeakPolarHBondContact O-CB 3.42Å; L378-K381 PolarHBondContact O-N 3.36Å; A379-K381 VanDerWaalsContact C-N 3.35Å; A379-K381 PolarHBondContact O-N 3.4Å; K381-I384 WeakPolarHBondContact O-CB 3.03Å; K381-I384 PolarHBondContact O-N 3.4Å; K381-I384 VanDerWaalsContact O-N 3.14Å; K381-V385 WeakPolarHBondContact O-CG2 3.47Å; K381-V385 PolarHBondContact O-N 3.26Å
382L75.3Confident73.5Confident82 Ų8283.3 Ų83.343%0.42941%0.412SS..Hα-helixtrans-63.9-44.4177.1-70.5171.9000111.1L378 A379 I384 V385 E386L378-L382 HydrophobicContact CD1-CD1 4.31Å; L378-L382 HydrophobicContact CD1-CG 4.17Å; L378-L382 HydrophobicContact CG-CD1 3.99Å; L378-L382 HydrophobicContact CG-CG 4.31Å; L378-L382 WeakPolarHBondContact O-CG 3.31Å; L378-L382 PolarHBondContact O-N 3.12Å; A379-L382 PolarHBondContact O-N 3.06Å; L382-I384 PolarHBondContact O-N 2.96Å; L382-V385 PolarHBondContact O-N 2.99Å; L382-E386 WeakPolarHBondContact O-CB 3.31Å; L382-E386 WeakPolarHBondContact O-CG 3.18Å; L382-E386 PolarHBondContact O-N 3.26Å
383A67.8Low74.1Confident23 Ų2385.9 Ų85.919%0.1942%0.424CS..Hα-helixtrans-62.1-24.7174.100000113.4A379 K388 L389A379-A383 VanDerWaalsContact O-CB 3.23Å; A379-A383 WeakPolarHBondContact O-CB 3.32Å; A379-A383 PolarHBondContact O-N 3.39Å; A383-K388 HydrophobicContact CB-CB 4.43Å; A383-K388 PolarHBondContact O-N 2.9Å; A383-L389 HydrophobicContact CB-CD1 3.94Å; A383-L389 HydrophobicContact CB-CG 4.11Å; A383-L389 WeakPolarHBondContact O-CG 3.44Å; A383-L389 PolarHBondContact O-N 3.43Å
384I64.6Low74.6Confident79 Ų7980.3 Ų80.341%0.40540%0.404SS..Hα-helixtrans-72.2-48.1170.3-67.1166.2000109.8K380 K381 L382 G387 L389K380-I384 VanDerWaalsContact O-CG1 3.23Å; K380-I384 WeakPolarHBondContact O-CG1 3.24Å; K380-I384 PolarHBondContact O-N 2.89Å; K381-I384 WeakPolarHBondContact O-CB 3.03Å; K381-I384 PolarHBondContact O-N 3.4Å; K381-I384 VanDerWaalsContact O-N 3.14Å; L382-I384 PolarHBondContact O-N 2.96Å; I384-G387 PolarHBondContact O-N 3.47Å; I384-L389 HydrophobicContact CB-CD1 4.3Å; I384-L389 HydrophobicContact CG1-CD1 3.42Å; I384-L389 VanDerWaalsContact CG1-CD1 3.42Å
385V71.5Confident74.9Confident113 Ų11378.3 Ų78.369%0.68540%0.401SS*.Hα-helixtrans-66.7-39.7-176.8175.60000112K381 L382 G387K381-V385 WeakPolarHBondContact O-CG2 3.47Å; K381-V385 PolarHBondContact O-N 3.26Å; L382-V385 PolarHBondContact O-N 2.99Å; V385-G387 PolarHBondContact O-N 3.1Å; V385-G387 VanDerWaalsContact O-N 3.13Å
386E75.3Confident75.2Confident108 Ų10882.8 Ų82.851%0.50542%0.419SS..THydrogen-bonded Turntrans-73.33.8179-68.2173-179.800113.7L382 K388L382-E386 WeakPolarHBondContact O-CB 3.31Å; L382-E386 WeakPolarHBondContact O-CG 3.18Å; L382-E386 PolarHBondContact O-N 3.26Å; E386-K388 HydrophobicContact CB-CD 4.38Å; E386-K388 HydrophobicContact CB-CG 4.15Å; E386-K388 PolarHBondContact O-N 3.08Å; E386-K388 VanDerWaalsContact OE2-CD 3.24Å; E386-K388 WeakPolarHBondContact OE2-CD 3.45Å; E386-K388 WeakPolarHBondContact OE2-CE 3.47Å; E386-K388 IonicContact OE2-NZ 3.95Å; E386-K388 PolarHBondContact OE2-NZ 2.96Å
387G64.3Low75.6Confident26 Ų2685.2 Ų85.227%0.26843%0.431SS..SBendtrans69.3-1.4-177.900000114.9I384 V385 L389 I390I384-G387 PolarHBondContact O-N 3.47Å; V385-G387 PolarHBondContact O-N 3.1Å; V385-G387 VanDerWaalsContact O-N 3.13Å; G387-L389 PolarHBondContact O-N 2.76Å; G387-I390 WeakPolarHBondContact O-CB 3.33Å; G387-I390 WeakPolarHBondContact O-CG1 3.49Å; G387-I390 PolarHBondContact O-N 3.08Å
388K69.8Low75.9Confident131 Ų13186 Ų8657%0.5743%0.43SS*.THydrogen-bonded Turntrans-57.8-19.2177.9-70.5-179.8178.2159.60113.4A383 E386 K399A383-K388 HydrophobicContact CB-CB 4.43Å; A383-K388 PolarHBondContact O-N 2.9Å; E386-K388 HydrophobicContact CB-CD 4.38Å; E386-K388 HydrophobicContact CB-CG 4.15Å; E386-K388 PolarHBondContact O-N 3.08Å; E386-K388 VanDerWaalsContact OE2-CD 3.24Å; E386-K388 WeakPolarHBondContact OE2-CD 3.45Å; E386-K388 WeakPolarHBondContact OE2-CE 3.47Å; E386-K388 IonicContact OE2-NZ 3.95Å; E386-K388 PolarHBondContact OE2-NZ 2.96Å; K388-K399 WeakPolarHBondContact O-CE 3.49Å; K388-K399 PolarHBondContact O-NZ 3.43Å
389L72.5Confident76Confident20 Ų2084.4 Ų84.411%0.10542%0.419CS..THydrogen-bonded Turntrans-101.914.6177-64.4172000114A383 I384 G387 R398 K399 L401A383-L389 HydrophobicContact CB-CD1 3.94Å; A383-L389 HydrophobicContact CB-CG 4.11Å; A383-L389 WeakPolarHBondContact O-CG 3.44Å; A383-L389 PolarHBondContact O-N 3.43Å; I384-L389 HydrophobicContact CB-CD1 4.3Å; I384-L389 HydrophobicContact CG1-CD1 3.42Å; I384-L389 VanDerWaalsContact CG1-CD1 3.42Å; G387-L389 PolarHBondContact O-N 2.76Å; L389-R398 CarbonylContact O-C 3.26Å; L389-R398 VanDerWaalsContact O-CA 3.23Å; L389-R398 WeakPolarHBondContact O-CA 3.46Å; L389-K399 HydrophobicContact CD2-CG 4.38Å; L389-K399 PolarHBondContact O-N 2.9Å; L389-L401 HydrophobicContact CD2-CD2 3.42Å; L389-L401 VanDerWaalsContact CD2-CD2 3.42Å; L389-L401 HydrophobicContact CD2-CG 4.09Å
390I78.3Confident75.9Confident74 Ų7483.4 Ų83.438%0.37941%0.409SS..BIsolated β-bridgetrans-82.4140171.8-61.7172.2000109G387 F392G387-I390 WeakPolarHBondContact O-CB 3.33Å; G387-I390 WeakPolarHBondContact O-CG1 3.49Å; G387-I390 PolarHBondContact O-N 3.08Å; I390-F392 PolarHBondContact O-N 3.32Å
391C79.3Confident75.9Confident0 Ų082.4 Ų82.40%041%0.407CS..  trans-70.4120.2174.2172.80000110I393 C394 N395 N397 K399 C408C391-I393 PolarHBondContact O-N 3.15Å; C391-I393 VanDerWaalsContact O-N 3.12Å; C391-C394 PolarHBondContact O-N 3.39Å; C391-N395 VanDerWaalsContact O-CA 3.3Å; C391-N395 WeakPolarHBondContact O-CA 3.34Å; C391-N395 PolarHBondContact O-N 3.01Å; C391-N395 PolarHBondContact O-OD1 3.23Å; C391-N397 WeakPolarHBondContact CB-O 3.18Å; C391-N397 PolarHBondContact N-O 3.46Å; C391-K399 HydrophobicContact CB-CB 4.36Å; C391-C408 HydrophobicContact CB-CB 3.64Å; C391-C408 PolarHBondContact SG-N 3.31Å
392F82.9Confident75.5Confident132 Ų13279 Ų7958%0.57940%0.396SS*.THydrogen-bonded Turntrans-64.6-15.1-178.968.3-95.6000114.6I390 N395 V407I390-F392 PolarHBondContact O-N 3.32Å; F392-N395 PolarHBondContact O-OD1 3.39Å; F392-V407 HydrophobicContact CD1-CG1 4.01Å; F392-V407 HydrophobicContact CE1-CG1 3.28Å; F392-V407 HydrophobicContact CE2-CG1 4.42Å; F392-V407 HydrophobicContact CZ-CG1 3.53Å
393I83.3Confident75.1Confident64 Ų6475.3 Ų75.333%0.32838%0.377SS..THydrogen-bonded Turntrans-81.1-49.6179.7-62.3169.7000111.2C391 V407 C411 Q415C391-I393 PolarHBondContact O-N 3.15Å; C391-I393 VanDerWaalsContact O-N 3.12Å; I393-V407 HydrophobicContact CD1-CB 3.98Å; I393-V407 HydrophobicContact CD1-CG1 3.33Å; I393-V407 HydrophobicContact CG1-CG1 3.93Å; I393-C411 HydrophobicContact CB-CB 3.82Å; I393-C411 HydrophobicContact CD1-CB 3.72Å; I393-C411 HydrophobicContact CG1-CB 4.36Å; I393-C411 HydrophobicContact CG2-CB 3.85Å; I393-Q415 VanDerWaalsContact CD1-CD 3.49Å; I393-Q415 HydrophobicContact CD1-CG 4.33Å
394C85.8Confident75.1Confident37 Ų3778.1 Ų78.125%0.2540%0.4CS..THydrogen-bonded Turntrans-100-14.2-177.2590000113.6C391 K396 N397 C411C391-C394 PolarHBondContact O-N 3.39Å; C394-K396 HydrophobicContact CB-CB 4.48Å; C394-K396 WeakPolarHBondContact O-CG 3.48Å; C394-K396 PolarHBondContact O-N 3.38Å; C394-N397 PolarHBondContact SG-N 3.48Å; C394-C411 WeakPolarHBondContact CB-SG 3.46Å
395N82.5Confident75.6Confident118 Ų11877.1 Ų77.163%0.63139%0.391SS*.SBendtrans49.317-172.1-67.8-26.4000115.2C391 F392C391-N395 VanDerWaalsContact O-CA 3.3Å; C391-N395 WeakPolarHBondContact O-CA 3.34Å; C391-N395 PolarHBondContact O-N 3.01Å; C391-N395 PolarHBondContact O-OD1 3.23Å; F392-N395 PolarHBondContact O-OD1 3.39Å
396K81Confident75.9Confident188 Ų18874.4 Ų74.482%0.81738%0.377SS*.SBendtrans-120.4-49.2-175.7-74.8176.7-178.6-177.30111.8C394C394-K396 HydrophobicContact CB-CB 4.48Å; C394-K396 WeakPolarHBondContact O-CG 3.48Å; C394-K396 PolarHBondContact O-N 3.38Å
397N83.1Confident76.2Confident73 Ų7369.3 Ų69.339%0.3935%0.354SS..SBendtrans-89.9151.5-175.1-67.2-42.7000111.9C391 C394 C408C391-N397 WeakPolarHBondContact CB-O 3.18Å; C391-N397 PolarHBondContact N-O 3.46Å; C394-N397 PolarHBondContact SG-N 3.48Å; N397-C408 HydrophobicContact CB-CB 3.45Å; N397-C408 VanDerWaalsContact CB-CB 3.45Å; N397-C408 VanDerWaalsContact CB-SG 3.57Å
398R80.4Confident77Confident179 Ų17968.2 Ų68.268%0.67534%0.342SS*.BIsolated β-bridgetrans-67.1133.9171.4-69.7-173.6-69.8-167.7-3.9111.3L389 C408L389-R398 CarbonylContact O-C 3.26Å; L389-R398 VanDerWaalsContact O-CA 3.23Å; L389-R398 WeakPolarHBondContact O-CA 3.46Å; R398-C408 VanDerWaalsContact O-CA 3.31Å; R398-C408 WeakPolarHBondContact O-CA 3.47Å; R398-C408 WeakPolarHBondContact O-CB 3.33Å
399K80.3Confident77.6Confident62 Ų6269 Ų6927%0.2734%0.341SS..PPolyproline II helixtrans-68.9147167.278.8-167-167.6-173.20110.4K388 L389 C391 S406 V407K388-K399 WeakPolarHBondContact O-CE 3.49Å; K388-K399 PolarHBondContact O-NZ 3.43Å; L389-K399 HydrophobicContact CD2-CG 4.38Å; L389-K399 PolarHBondContact O-N 2.9Å; C391-K399 HydrophobicContact CB-CB 4.36Å; K399-S406 VanDerWaalsContact CB-O 3.31Å; K399-S406 WeakPolarHBondContact CB-O 3.37Å; K399-S406 WeakPolarHBondContact CD-O 3.37Å; K399-V407 WeakPolarHBondContact CA-O 3.39Å
400S72.7Confident78Confident23 Ų2371.4 Ų71.416%0.16136%0.357CS..PPolyproline II helixtrans-86.1132.5171.8175.80000110.7N402 C403 V407 F430 H431S400-N402 PolarHBondContact O-N 2.83Å; S400-N402 PolarHBondContact OG-N 3.32Å; S400-C403 WeakPolarHBondContact O-CB 3.33Å; S400-C403 PolarHBondContact O-N 3.36Å; S400-C403 VanDerWaalsContact O-N 3.15Å; S400-V407 PolarHBondContact N-O 3.29Å; S400-F430 WeakPolarHBondContact OG-CD1 3.24Å; S400-F430 WeakPolarHBondContact OG-CE1 3.14Å; S400-F430 WeakPolarHBondContact OG-CZ 3.08Å; S400-H431 WeakPolarHBondContact CB-CE1 3.14Å; S400-H431 WeakPolarHBondContact CB-NE2 3.24Å
401L69.6Low78.2Confident56 Ų5668.4 Ų68.429%0.29334%0.342SS..THydrogen-bonded Turntrans-64-23.4173.8-70.5174.3000113.6Q287 L389Q287-L401 HydrophobicContact CG-CD2 4Å; L389-L401 HydrophobicContact CD2-CD2 3.42Å; L389-L401 VanDerWaalsContact CD2-CD2 3.42Å; L389-L401 HydrophobicContact CD2-CG 4.09Å
402N65.1Low78.2Confident72 Ų7268.4 Ų68.439%0.38534%0.342SS..THydrogen-bonded Turntrans-95.7-1.1178.8-62.3-37.6000112.1S400 F430S400-N402 PolarHBondContact O-N 2.83Å; S400-N402 PolarHBondContact OG-N 3.32Å; N402-F430 HydrophobicContact CB-CB 4.31Å; N402-F430 HydrophobicContact CB-CD1 3.88Å; N402-F430 HydrophobicContact CB-CD2 3.17Å; N402-F430 HydrophobicContact CB-CE1 4.03Å; N402-F430 HydrophobicContact CB-CE2 3.28Å; N402-F430 HydrophobicContact CB-CG 3.48Å; N402-F430 VanDerWaalsContact CB-CG 3.48Å; N402-F430 HydrophobicContact CB-CZ 3.71Å; N402-F430 VanDerWaalsContact ND2-CE2 3.32Å; N402-F430 WeakPolarHBondContact ND2-CE2 3.36Å; N402-F430 WeakPolarHBondContact O-CB 3.06Å; N402-F430 VanDerWaalsContact O-CG 3.28Å; N402-F430 WeakPolarHBondContact O-CG 3.49Å
403C66.3Low78Confident4 Ų464.5 Ų64.53%0.02733%0.326CS..  trans-78.5120.7177176.20000109.7S400 R405 S406 C428 F430 H431S400-C403 WeakPolarHBondContact O-CB 3.33Å; S400-C403 PolarHBondContact O-N 3.36Å; S400-C403 VanDerWaalsContact O-N 3.15Å; C403-R405 PolarHBondContact O-N 3.36Å; C403-R405 VanDerWaalsContact O-N 3.11Å; C403-R405 PolarHBondContact SG-N 3.48Å; C403-R405 VanDerWaalsContact SG-N 3.44Å; C403-S406 PolarHBondContact O-N 3.32Å; C403-C428 PolarHBondContact SG-SG 2.93Å; C403-F430 HydrophobicContact CB-CD1 4.36Å; C403-H431 WeakPolarHBondContact CB-CE1 3.32Å; C403-H431 PolarHBondContact SG-ND1 3.27Å
404A68.4Low77.6Confident82 Ų8266 Ų6668%0.67834%0.335SS*.THydrogen-bonded Turntrans-54.7-31.7175.600000112.7C428A404-C428 HydrophobicContact CB-CB 4.48Å; A404-C428 PolarHBondContact N-SG 2.81Å
405R74.8Confident76.8Confident57 Ų5768 Ų6822%0.21534%0.34CS..THydrogen-bonded Turntrans-87-1.9177.4-67.9-173.4-80.4176.1-12.3114.3C403 V407 C412 C428 H432C403-R405 PolarHBondContact O-N 3.36Å; C403-R405 VanDerWaalsContact O-N 3.11Å; C403-R405 PolarHBondContact SG-N 3.48Å; C403-R405 VanDerWaalsContact SG-N 3.44Å; R405-V407 HydrophobicContact CB-CG2 3.85Å; R405-V407 WeakPolarHBondContact O-CG1 3.29Å; R405-V407 PolarHBondContact O-N 3.26Å; R405-C412 VanDerWaalsContact CZ-SG 3.53Å; R405-C412 PolarHBondContact NE-SG 2.92Å; R405-C412 PolarHBondContact NH2-O 3.15Å; R405-C412 VanDerWaalsContact NH2-O 3.14Å; R405-C412 PolarHBondContact NH2-SG 3.29Å; R405-C428 HydrophobicContact CG-CB 4.36Å; R405-H432 PolarHBondContact NH2-CD2 2.95Å; R405-H432 PolarHBondContact NH2-NE2 3.41Å
406S78Confident75.5Confident57 Ų5762.8 Ų62.840%0.39931%0.313SS..  trans50.938.9-178.1-67.70000114.7K399 C403K399-S406 VanDerWaalsContact CB-O 3.31Å; K399-S406 WeakPolarHBondContact CB-O 3.37Å; K399-S406 WeakPolarHBondContact CD-O 3.37Å; C403-S406 PolarHBondContact O-N 3.32Å
407V81.8Confident74.1Confident1 Ų160.6 Ų60.61%0.00631%0.306CS..  trans-116.8171.3178.5-69.10000110.9F392 I393 K399 S400 R405 C412 H431F392-V407 HydrophobicContact CD1-CG1 4.01Å; F392-V407 HydrophobicContact CE1-CG1 3.28Å; F392-V407 HydrophobicContact CE2-CG1 4.42Å; F392-V407 HydrophobicContact CZ-CG1 3.53Å; I393-V407 HydrophobicContact CD1-CB 3.98Å; I393-V407 HydrophobicContact CD1-CG1 3.33Å; I393-V407 HydrophobicContact CG1-CG1 3.93Å; K399-V407 WeakPolarHBondContact CA-O 3.39Å; S400-V407 PolarHBondContact N-O 3.29Å; R405-V407 HydrophobicContact CB-CG2 3.85Å; R405-V407 WeakPolarHBondContact O-CG1 3.29Å; R405-V407 PolarHBondContact O-N 3.26Å; V407-C412 HydrophobicContact CG2-CB 3.57Å; V407-H431 PolarHBondContact O-CE1 2.93Å
408C81.9Confident72.5Confident3 Ų362.1 Ų62.12%0.0232%0.322CS..  trans-73.2163.4172.676.30000110.6C391 N397 R398 T410 C411 C412C391-C408 HydrophobicContact CB-CB 3.64Å; C391-C408 PolarHBondContact SG-N 3.31Å; N397-C408 HydrophobicContact CB-CB 3.45Å; N397-C408 VanDerWaalsContact CB-CB 3.45Å; N397-C408 VanDerWaalsContact CB-SG 3.57Å; R398-C408 VanDerWaalsContact O-CA 3.31Å; R398-C408 WeakPolarHBondContact O-CA 3.47Å; R398-C408 WeakPolarHBondContact O-CB 3.33Å; C408-T410 PolarHBondContact O-N 3.07Å; C408-C411 PolarHBondContact O-N 3.43Å; C408-C411 VanDerWaalsContact SG-CB 3.58Å; C408-C411 PolarHBondContact SG-N 3.12Å; C408-C411 PolarHBondContact SG-SG 3.45Å; C408-C412 WeakPolarHBondContact O-CB 3.39Å; C408-C412 PolarHBondContact O-N 3.16Å
409R81.3Confident70.9Confident147 Ų14755.1 Ų55.156%0.55530%0.301SS*.Hα-helixtrans-54.3-50.5179.3-176.4-179177.4178.1-1.1112.2C412 Q413R409-C412 WeakPolarHBondContact O-CB 3.47Å; R409-C412 PolarHBondContact O-N 3.02Å; R409-Q413 HydrophobicContact CG-CG 4.5Å; R409-Q413 WeakPolarHBondContact O-CB 3.48Å; R409-Q413 WeakPolarHBondContact O-CG 3.48Å; R409-Q413 PolarHBondContact O-N 2.99Å
410T81.4Confident69.1Low70 Ų7058.5 Ų58.543%0.42932%0.321SS..Hα-helixtrans-61.8-49.9-177.5-47.20000112.4C408 C412 Q413 N414C408-T410 PolarHBondContact O-N 3.07Å; T410-C412 VanDerWaalsContact C-N 3.31Å; T410-C412 PolarHBondContact O-N 3.42Å; T410-Q413 WeakPolarHBondContact O-CA 3.47Å; T410-Q413 WeakPolarHBondContact O-CB 3.26Å; T410-Q413 PolarHBondContact O-N 2.74Å; T410-Q413 VanDerWaalsContact O-N 3.1Å; T410-N414 PolarHBondContact O-N 3.18Å; T410-N414 PolarHBondContact O-OD1 3.5Å
411C82.8Confident67.5Low12 Ų1265.4 Ų65.48%0.08136%0.356CS..Hα-helixtrans-67-35.1178-650000112.3I393 C394 C408 Q413 Q415I393-C411 HydrophobicContact CB-CB 3.82Å; I393-C411 HydrophobicContact CD1-CB 3.72Å; I393-C411 HydrophobicContact CG1-CB 4.36Å; I393-C411 HydrophobicContact CG2-CB 3.85Å; C394-C411 WeakPolarHBondContact CB-SG 3.46Å; C408-C411 PolarHBondContact O-N 3.43Å; C408-C411 VanDerWaalsContact SG-CB 3.58Å; C408-C411 PolarHBondContact SG-N 3.12Å; C408-C411 PolarHBondContact SG-SG 3.45Å; C411-Q413 VanDerWaalsContact C-N 3.3Å; C411-Q415 WeakPolarHBondContact O-CG 3.48Å; C411-Q415 PolarHBondContact O-N 2.97Å
412C79.5Confident66Low0 Ų065.5 Ų65.50%036%0.361CS..Hα-helixtrans-57.2-51.4170.9-153.30000109R405 V407 C408 R409 T410 Q415 H431 H432R405-C412 VanDerWaalsContact CZ-SG 3.53Å; R405-C412 PolarHBondContact NE-SG 2.92Å; R405-C412 PolarHBondContact NH2-O 3.15Å; R405-C412 VanDerWaalsContact NH2-O 3.14Å; R405-C412 PolarHBondContact NH2-SG 3.29Å; V407-C412 HydrophobicContact CG2-CB 3.57Å; C408-C412 WeakPolarHBondContact O-CB 3.39Å; C408-C412 PolarHBondContact O-N 3.16Å; R409-C412 WeakPolarHBondContact O-CB 3.47Å; R409-C412 PolarHBondContact O-N 3.02Å; T410-C412 VanDerWaalsContact C-N 3.31Å; T410-C412 PolarHBondContact O-N 3.42Å; C412-Q415 PolarHBondContact O-N 2.86Å; C412-H431 HydrophobicContact CB-CB 3.8Å; C412-H431 VanDerWaalsContact CB-ND1 3.32Å; C412-H431 WeakPolarHBondContact CB-ND1 3.36Å; C412-H431 PolarHBondContact SG-ND1 3.5Å; C412-H431 VanDerWaalsContact SG-ND1 3.45Å; C412-H432 PolarHBondContact O-CE1 2.69Å; C412-H432 VanDerWaalsContact O-CE1 3.29Å; C412-H432 PolarHBondContact O-NE2 3.22Å; C412-H432 PolarHBondContact SG-CD2 2.91Å
413Q77.7Confident64.7Low50 Ų5071.1 Ų71.123%0.23439%0.391CS..Hα-helixtrans-57.2-52.6-177.5-77.6178.5-4900112.7R409 T410 C411 Q415 S416 H432R409-Q413 HydrophobicContact CG-CG 4.5Å; R409-Q413 WeakPolarHBondContact O-CB 3.48Å; R409-Q413 WeakPolarHBondContact O-CG 3.48Å; R409-Q413 PolarHBondContact O-N 2.99Å; T410-Q413 WeakPolarHBondContact O-CA 3.47Å; T410-Q413 WeakPolarHBondContact O-CB 3.26Å; T410-Q413 PolarHBondContact O-N 2.74Å; T410-Q413 VanDerWaalsContact O-N 3.1Å; C411-Q413 VanDerWaalsContact C-N 3.3Å; Q413-Q415 VanDerWaalsContact C-N 3.3Å; Q413-Q415 PolarHBondContact O-N 2.95Å; Q413-S416 PolarHBondContact O-N 3.16Å; Q413-S416 PolarHBondContact O-OG 3.38Å; Q413-H432 WeakPolarHBondContact CA-CE1 3.45Å; Q413-H432 WeakPolarHBondContact CA-NE2 3.19Å; Q413-H432 PolarHBondContact N-NE2 3.33Å; Q413-H432 PolarHBondContact O-CE1 3.42Å
414N75Confident63.4Low95 Ų9577 Ų7751%0.50843%0.427SS..Hα-helixtrans-66.4-29.9-176.2-624.1000113.5T410 S416 E417T410-N414 PolarHBondContact O-N 3.18Å; T410-N414 PolarHBondContact O-OD1 3.5Å; N414-S416 VanDerWaalsContact C-N 3.28Å; N414-S416 PolarHBondContact O-N 3.2Å; N414-E417 PolarHBondContact O-N 3.2Å
415Q68.3Low62.3Low78 Ų7876.7 Ų76.736%0.36441%0.413SS..Hα-helixtrans-70.3-19.4-179.8-82.1-167.7-19.100114.4I393 C411 C412 Q413 S418 S419I393-Q415 VanDerWaalsContact CD1-CD 3.49Å; I393-Q415 HydrophobicContact CD1-CG 4.33Å; C411-Q415 WeakPolarHBondContact O-CG 3.48Å; C411-Q415 PolarHBondContact O-N 2.97Å; C412-Q415 PolarHBondContact O-N 2.86Å; Q413-Q415 VanDerWaalsContact C-N 3.3Å; Q413-Q415 PolarHBondContact O-N 2.95Å; Q415-S418 PolarHBondContact O-OG 2.69Å; Q415-S419 PolarHBondContact O-OG 2.89Å
416S55.8Low61Low9 Ų979.6 Ų79.66%0.06344%0.438CS..Hα-helixtrans-83.9-29.817763.80000113Q413 N414 S419 H432Q413-S416 PolarHBondContact O-N 3.16Å; Q413-S416 PolarHBondContact O-OG 3.38Å; N414-S416 VanDerWaalsContact C-N 3.28Å; N414-S416 PolarHBondContact O-N 3.2Å; S416-S419 PolarHBondContact O-N 2.87Å; S416-S419 PolarHBondContact O-OG 3.32Å; S416-H432 PolarHBondContact OG-CE1 3.15Å; S416-H432 PolarHBondContact OG-ND1 3.4Å
417E50.9Low59.9Low143 Ų14380.8 Ų80.867%0.66844%0.436SS*.Hα-helixtrans-68.2-36.9-179.5-72.4176-178.500111.5N414 S419N414-E417 PolarHBondContact O-N 3.2Å; E417-S419 PolarHBondContact O-N 2.94Å
418S50.4Low58.6Low104 Ų10480.7 Ų80.773%0.72744%0.435SS*.THydrogen-bonded Turntrans-73-11.1175.358.40000114.3Q415Q415-S418 PolarHBondContact O-OG 2.69Å
419S47.5Very low57.6Low33 Ų3384.1 Ų84.123%0.23146%0.459CS..THydrogen-bonded Turntrans-124.520.3-165.8730000114.5Q415 S416 E417 N421 S422 N425Q415-S419 PolarHBondContact O-OG 2.89Å; S416-S419 PolarHBondContact O-N 2.87Å; S416-S419 PolarHBondContact O-OG 3.32Å; E417-S419 PolarHBondContact O-N 2.94Å; S419-N421 PolarHBondContact O-N 2.63Å; S419-S422 PolarHBondContact O-N 3.17Å; S419-N425 WeakPolarHBondContact CB-ND2 3.41Å; S419-N425 PolarHBondContact OG-ND2 3.38Å; S419-N425 VanDerWaalsContact OG-ND2 3.15Å
420L42.6Very low56.5Low132 Ų13279.8 Ų79.869%0.69145%0.445SS*.THydrogen-bonded Turntrans-60.4-4176.7-86155.4000114.1
421N38.4Very low55.5Low169 Ų16977.4 Ų77.490%0.90443%0.429SS*.THydrogen-bonded Turntrans-104.413.3-179.4-75.9-10.4000116S419S419-N421 PolarHBondContact O-N 2.63Å
422S38.1Very low54.1Low58 Ų5877.6 Ų77.641%0.40643%0.428SS..  trans-127.2124.8175.275.20000114.8S419 T424 N425S419-S422 PolarHBondContact O-N 3.17Å; S422-T424 PolarHBondContact O-N 3.5Å; S422-N425 PolarHBondContact OG-ND2 2.82Å
423L37.9Very low52.7Low190 Ų19081.6 Ų81.6100%0.99544%0.443SS*.THydrogen-bonded Turntrans-72.5-0.6-177.5-81.4157.5000114.8
424T39.2Very low51Low128 Ų12886.5 Ų86.579%0.78547%0.466SS*.THydrogen-bonded Turntrans-110.49.1-174.852.60000114.4S422 T426S422-T424 PolarHBondContact O-N 3.5Å; T424-T426 PolarHBondContact O-N 3.32Å
425N45.3Very low49.2Very low74 Ų7485.8 Ų85.840%0.39646%0.462SS..  trans-80.6114.1-174.3-109-28.4000113.1S419 S422 F427S419-N425 WeakPolarHBondContact CB-ND2 3.41Å; S419-N425 PolarHBondContact OG-ND2 3.38Å; S419-N425 VanDerWaalsContact OG-ND2 3.15Å; S422-N425 PolarHBondContact OG-ND2 2.82Å; N425-F427 PolarHBondContact O-N 3.36Å
426T47Very low47.5Very low119 Ų11986.9 Ų86.973%0.7347%0.47SS*.  trans-66.596.5170.8330000110.3T424 C428T424-T426 PolarHBondContact O-N 3.32Å; T426-C428 PolarHBondContact O-N 2.97Å
427F54.7Low46.7Very low81 Ų8191.1 Ų91.136%0.35549%0.492SS..  trans-59.4130.5177.7-93.9-92.4000112N425 S429 H432 I435N425-F427 PolarHBondContact O-N 3.36Å; F427-S429 PolarHBondContact O-N 3.25Å; F427-S429 VanDerWaalsContact O-N 3.11Å; F427-H432 HydrophobicContact CD1-CB 4.2Å; F427-I435 HydrophobicContact CE1-CB 4.07Å; F427-I435 HydrophobicContact CE1-CG2 4.16Å; F427-I435 HydrophobicContact CZ-CG2 4.18Å
428C55.7Low45.9Very low0 Ų089.2 Ų89.20%050%0.501CS..  trans-80.492.5173174.10000110.8C403 A404 R405 T426 F430 H431 H432C403-C428 PolarHBondContact SG-SG 2.93Å; A404-C428 HydrophobicContact CB-CB 4.48Å; A404-C428 PolarHBondContact N-SG 2.81Å; R405-C428 HydrophobicContact CG-CB 4.36Å; T426-C428 PolarHBondContact O-N 2.97Å; C428-F430 PolarHBondContact O-N 3.42Å; C428-H431 PolarHBondContact O-N 2.97Å; C428-H432 WeakPolarHBondContact O-CB 3.42Å; C428-H432 PolarHBondContact O-N 3.15Å
429S60.1Low45.3Very low75 Ų7591.3 Ų91.352%0.52450%0.502SS..THydrogen-bonded Turntrans-51.7-25178.663.50000115.1F427 R433F427-S429 PolarHBondContact O-N 3.25Å; F427-S429 VanDerWaalsContact O-N 3.11Å; S429-R433 WeakPolarHBondContact O-CG 3.49Å
430F57.6Low44.8Very low56 Ų5694.2 Ų94.225%0.24652%0.515CS..THydrogen-bonded Turntrans-75.6-40.9179.4-179.6-96.9000115S400 N402 C403 C428S400-F430 WeakPolarHBondContact OG-CD1 3.24Å; S400-F430 WeakPolarHBondContact OG-CE1 3.14Å; S400-F430 WeakPolarHBondContact OG-CZ 3.08Å; N402-F430 HydrophobicContact CB-CB 4.31Å; N402-F430 HydrophobicContact CB-CD1 3.88Å; N402-F430 HydrophobicContact CB-CD2 3.17Å; N402-F430 HydrophobicContact CB-CE1 4.03Å; N402-F430 HydrophobicContact CB-CE2 3.28Å; N402-F430 HydrophobicContact CB-CG 3.48Å; N402-F430 VanDerWaalsContact CB-CG 3.48Å; N402-F430 HydrophobicContact CB-CZ 3.71Å; N402-F430 VanDerWaalsContact ND2-CE2 3.32Å; N402-F430 WeakPolarHBondContact ND2-CE2 3.36Å; N402-F430 WeakPolarHBondContact O-CB 3.06Å; N402-F430 VanDerWaalsContact O-CG 3.28Å; N402-F430 WeakPolarHBondContact O-CG 3.49Å; C403-F430 HydrophobicContact CB-CD1 4.36Å; C428-F430 PolarHBondContact O-N 3.42Å
431H61.3Low44.6Very low20 Ų2098.1 Ų98.19%0.09354%0.536CS..THydrogen-bonded Turntrans-98.7-30-179.4-72.4150.1000112.9S400 C403 V407 C412 C428S400-H431 WeakPolarHBondContact CB-CE1 3.14Å; S400-H431 WeakPolarHBondContact CB-NE2 3.24Å; C403-H431 WeakPolarHBondContact CB-CE1 3.32Å; C403-H431 PolarHBondContact SG-ND1 3.27Å; V407-H431 PolarHBondContact O-CE1 2.93Å; C412-H431 HydrophobicContact CB-CB 3.8Å; C412-H431 VanDerWaalsContact CB-ND1 3.32Å; C412-H431 WeakPolarHBondContact CB-ND1 3.36Å; C412-H431 PolarHBondContact SG-ND1 3.5Å; C412-H431 VanDerWaalsContact SG-ND1 3.45Å; C428-H431 PolarHBondContact O-N 2.97Å
432H53.4Low44.9Very low15 Ų1594.6 Ų94.67%0.06952%0.518CS..  trans-103.246.6-174.5-75.6-87.9000112.9R405 C412 Q413 S416 F427 C428 Q434R405-H432 PolarHBondContact NH2-CD2 2.95Å; R405-H432 PolarHBondContact NH2-NE2 3.41Å; C412-H432 PolarHBondContact O-CE1 2.69Å; C412-H432 VanDerWaalsContact O-CE1 3.29Å; C412-H432 PolarHBondContact O-NE2 3.22Å; C412-H432 PolarHBondContact SG-CD2 2.91Å; Q413-H432 WeakPolarHBondContact CA-CE1 3.45Å; Q413-H432 WeakPolarHBondContact CA-NE2 3.19Å; Q413-H432 PolarHBondContact N-NE2 3.33Å; Q413-H432 PolarHBondContact O-CE1 3.42Å; S416-H432 PolarHBondContact OG-CE1 3.15Å; S416-H432 PolarHBondContact OG-ND1 3.4Å; F427-H432 HydrophobicContact CD1-CB 4.2Å; C428-H432 WeakPolarHBondContact O-CB 3.42Å; C428-H432 PolarHBondContact O-N 3.15Å; H432-Q434 PolarHBondContact O-N 2.98Å
433R50Low45.3Very low84 Ų8496.5 Ų96.532%0.31752%0.524SS..THydrogen-bonded Turntrans-6914.1171.9-71-167.9176.8-179.5-2.5114K52 R55 S56 S429K52-R433 PolarHBondContact O-NH1 3.23Å; R55-R433 PolarHBondContact NH1-O 2.94Å; S56-R433 VanDerWaalsContact CB-NH1 3.31Å; S56-R433 PolarHBondContact OG-NH1 2.95Å; S429-R433 WeakPolarHBondContact O-CG 3.49Å
434Q42.1Very low45.7Very low153 Ų15391.3 Ų91.372%0.71550%0.498SS*.THydrogen-bonded Turntrans-103.6-28-179.1-90.8-178.5-28.100115H432H432-Q434 PolarHBondContact O-N 2.98Å
435I36.1Very low46.1Very low81 Ų8189.2 Ų89.242%0.41548%0.481SS..THydrogen-bonded Turntrans-101.9-33.1-163.6-61.1178.2000114.7F427 N437F427-I435 HydrophobicContact CE1-CB 4.07Å; F427-I435 HydrophobicContact CE1-CG2 4.16Å; F427-I435 HydrophobicContact CZ-CG2 4.18Å; I435-N437 PolarHBondContact O-N 3.46Å
436N33.1Very low46.1Very low101 Ų10190.1 Ų90.154%0.5449%0.486SS..SBendtrans-97.270.8178.4-70.4-12.5000111.2
437N39.2Very low46.1Very low97 Ų9788.2 Ų88.252%0.51947%0.47SS..  trans-169.557.5173.4-85.8-40.7000113.8I435 I439I435-N437 PolarHBondContact O-N 3.46Å; N437-I439 PolarHBondContact O-N 2.86Å
438A35.3Very low45.4Very low104 Ų10488.7 Ų88.786%0.8648%0.478SS*.THydrogen-bonded Turntrans-80.431.6173.300000114.1
439I37.3Very low44.7Very low147 Ų14795.5 Ų95.575%0.75452%0.515SS*.THydrogen-bonded Turntrans-116.71.1-176.9-61.5-178.8000113N437N437-I439 PolarHBondContact O-N 2.86Å
440L37.5Very low43.4Very low94 Ų9497.3 Ų97.349%0.49251%0.514SS..  trans-133.923.6-175.9-67.9176.6000115.5F89F89-L440 HydrophobicContact CE1-CD2 4.11Å; F89-L440 HydrophobicContact CE2-CD2 3.6Å; F89-L440 HydrophobicContact CZ-CD2 3.23Å
441D37.5Very low42.1Very low215 Ų215101 Ų101100%1.1554%0.538SS*.  trans-90.70165.7-74.3-12.9000110.5

Retrieved 441 of 441 residues in 115.3 ms (Link to these results)

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