A0A3Q0KC44_SCHMA Loading...

glycogenin glucosyltransferase AlphaSync

Self-glucosylating initiator of glycogen synthesis. It catalyzes the formation of a short alpha (1,4)-glucosyl chain covalently attached via a glucose 1-O-tyrosyl linkage to internal tyrosine residues and these chains act as primers for the elongation reaction catalyzed by glycogen synthase.

AlphaFold DB , UniProt , Accession A0A3Q0KC44, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 320 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
1M60.8Low93.3Very high203 Ų20336.7 Ų36.7100%120%0.196SC*.  0145.60-76.5-178.4-93.200107.8T95M1-T95 HydrophobicContact CB-CG2 3.32Å; M1-T95 HydrophobicContact CE-CG2 4.02Å; M1-T95 HydrophobicContact CG-CG2 3.95Å; M1-T95 HydrophobicContact SD-CG2 3.43Å; M1-T95 WeakPolarHBondContact SD-CG2 3.36Å
2C91.3Very high93.4Very high67 Ų6735.8 Ų35.845%0.45319%0.191SC..EExtended strand (participates in β ladder)trans-98157.4-168.8-640000112Y94 T95C2-Y94 HydrophobicContact CB-CD1 4.05Å; C2-Y94 HydrophobicContact CB-CE1 4.38Å; C2-Y94 CarbonylContact O-C 3.57Å; C2-Y94 WeakPolarHBondContact O-CA 3.46Å; C2-Y94 WeakPolarHBondContact O-CB 3.37Å; C2-T95 PolarHBondContact O-N 3.06Å; C2-T95 PolarHBondContact O-OG1 3.31Å
3E98.4Very high93.4Very high46 Ų4638 Ų3822%0.21520%0.2CC..EExtended strand (participates in β ladder)trans-111.8149.8174.2-67.7-179.8152.700109.3R32 Q33 K96 F114E3-R32 HydrophobicContact CB-CG 4.37Å; E3-R32 IonicContact OE2-CZ 2.8Å; E3-R32 IonicContact OE2-NE 2.63Å; E3-R32 PolarHBondContact OE2-NE 2.92Å; E3-R32 IonicContact OE2-NH2 3.6Å; E3-R32 PolarHBondContact OE2-NH2 2.93Å; E3-Q33 PolarHBondContact O-N 3.48Å; E3-Q33 VanDerWaalsContact O-N 3.12Å; E3-K96 WeakPolarHBondContact CA-O 3.32Å; E3-K96 HydrophobicContact CG-CB 4.34Å; E3-F114 HydrophobicContact CB-CD1 3.64Å; E3-F114 HydrophobicContact CB-CE1 3.64Å; E3-F114 HydrophobicContact CB-CG 4.36Å; E3-F114 HydrophobicContact CB-CZ 4.36Å; E3-F114 HydrophobicContact CG-CD1 3.94Å; E3-F114 HydrophobicContact CG-CE1 4.39Å; E3-F114 WeakPolarHBondContact OE2-CB 3.48Å
4A98.6Very high93.5Very high0 Ų040 Ų400%020%0.204CC..EExtended strand (participates in β ladder)trans-143.6144.6-173.900000114.3V6 Q33 V35 Y94 K96 A97 V98 F114A4-V6 HydrophobicContact CB-CG2 4.39Å; A4-Q33 CarbonylContact C-O 3.43Å; A4-Q33 VanDerWaalsContact CA-O 3.26Å; A4-Q33 WeakPolarHBondContact CA-O 3.36Å; A4-Q33 HydrophobicContact CB-CB 4.09Å; A4-V35 HydrophobicContact CB-CG2 3.75Å; A4-Y94 HydrophobicContact CB-CD1 3.68Å; A4-Y94 HydrophobicContact CB-CD2 3.93Å; A4-Y94 HydrophobicContact CB-CE1 3.76Å; A4-Y94 HydrophobicContact CB-CE2 4Å; A4-Y94 HydrophobicContact CB-CG 3.79Å; A4-K96 PolarHBondContact N-O 3.13Å; A4-A97 CarbonylContact O-C 3.46Å; A4-A97 WeakPolarHBondContact O-CA 3.3Å; A4-A97 WeakPolarHBondContact O-CB 3.43Å; A4-V98 PolarHBondContact O-N 3.23Å; A4-F114 WeakPolarHBondContact O-CZ 3.45Å
5F98.9Very high93.8Very high0 Ų037.3 Ų37.30%019%0.19CC..EExtended strand (participates in β ladder)trans-83.5136.3155.8-70.7-81.9000109.1W21 L25 T30 R32 Q33 V35 V98 M100 I110 D111 F114F5-W21 HydrophobicContact CB-CH2 3.54Å; F5-W21 HydrophobicContact CB-CZ2 3.79Å; F5-L25 HydrophobicContact CB-CD1 3.69Å; F5-L25 HydrophobicContact CD1-CD1 4.29Å; F5-L25 HydrophobicContact CD1-CD2 4.1Å; F5-L25 HydrophobicContact CD2-CD1 4.12Å; F5-L25 HydrophobicContact CD2-CD2 3.91Å; F5-L25 HydrophobicContact CE1-CD2 4.12Å; F5-L25 HydrophobicContact CE2-CD2 3.91Å; F5-L25 HydrophobicContact CG-CD1 3.78Å; F5-L25 HydrophobicContact CG-CD2 4.01Å; F5-L25 HydrophobicContact CZ-CD2 4.03Å; F5-T30 VanDerWaalsContact CE2-OG1 3.24Å; F5-T30 WeakPolarHBondContact CE2-OG1 3.48Å; F5-R32 HydrophobicContact CD2-CB 4.01Å; F5-R32 HydrophobicContact CE2-CB 4.08Å; F5-R32 HydrophobicContact CE2-CG 4.31Å; F5-Q33 PolarHBondContact N-O 2.79Å; F5-V35 WeakPolarHBondContact O-CB 3.49Å; F5-V35 PolarHBondContact O-N 3.16Å; F5-V98 CarbonylContact C-O 3.48Å; F5-V98 WeakPolarHBondContact CA-O 3.32Å; F5-V98 HydrophobicContact CD1-CB 3.64Å; F5-V98 HydrophobicContact CD1-CG1 3.94Å; F5-V98 HydrophobicContact CD1-CG2 4.37Å; F5-V98 HydrophobicContact CE1-CB 3.74Å; F5-V98 HydrophobicContact CE1-CG1 3.88Å; F5-V98 HydrophobicContact CE1-CG2 4.04Å; F5-M100 HydrophobicContact CD1-SD 3.74Å; F5-M100 HydrophobicContact CE1-SD 4.07Å; F5-I110 HydrophobicContact CD1-CD1 4.46Å; F5-I110 HydrophobicContact CE1-CD1 3.58Å; F5-I110 HydrophobicContact CE1-CG1 3.81Å; F5-I110 HydrophobicContact CZ-CD1 4.03Å; F5-I110 HydrophobicContact CZ-CG1 3.71Å; F5-D111 WeakPolarHBondContact CE2-OD1 3.49Å; F5-F114 HydrophobicContact CD2-CE2 4.09Å; F5-F114 HydrophobicContact CD2-CZ 4.11Å; F5-F114 HydrophobicContact CE1-CE2 4.08Å; F5-F114 HydrophobicContact CE1-CZ 4.38Å; F5-F114 AromaticContact CE2-CE2 3.45Å; F5-F114 HydrophobicContact CE2-CE2 3.45Å; F5-F114 VanDerWaalsContact CE2-CE2 3.45Å; F5-F114 AromaticContact CE2-CZ 3.94Å; F5-F114 HydrophobicContact CE2-CZ 3.94Å; F5-F114 HydrophobicContact CG-CZ 4.39Å; F5-F114 HydrophobicContact CZ-CD2 4.44Å; F5-F114 AromaticContact CZ-CE2 3.44Å; F5-F114 HydrophobicContact CZ-CE2 3.44Å; F5-F114 VanDerWaalsContact CZ-CE2 3.44Å; F5-F114 HydrophobicContact CZ-CZ 4.08Å
6V98.8Very high93.9Very high0 Ų035 Ų350%018%0.178CC..EExtended strand (participates in β ladder)trans-127.3131.1-176.4-174.90000109.1A4 V35 L37 C88 L91 A97 V98 F99 M100 F138A4-V6 HydrophobicContact CB-CG2 4.39Å; V6-V35 WeakPolarHBondContact CA-O 3.36Å; V6-V35 HydrophobicContact CG2-CB 4.22Å; V6-L37 HydrophobicContact CG1-CD1 4.35Å; V6-L37 HydrophobicContact CG1-CG 4.08Å; V6-C88 HydrophobicContact CG1-CB 4.09Å; V6-L91 HydrophobicContact CB-CD1 4.44Å; V6-L91 HydrophobicContact CG1-CD1 3.75Å; V6-L91 HydrophobicContact CG2-CD1 3.74Å; V6-A97 HydrophobicContact CG2-CB 3.94Å; V6-V98 PolarHBondContact N-O 2.84Å; V6-F99 HydrophobicContact CB-CD2 4.28Å; V6-F99 HydrophobicContact CG1-CD2 4.1Å; V6-F99 HydrophobicContact CG1-CE2 4.31Å; V6-F99 CarbonylContact O-C 3.49Å; V6-F99 WeakPolarHBondContact O-CA 3.02Å; V6-M100 PolarHBondContact O-N 3.24Å; V6-F138 HydrophobicContact CG2-CZ 4.42Å
7T98.7Very high94.1Very high0 Ų032.9 Ų32.90%017%0.168CC..EExtended strand (participates in β ladder)trans-126.6173.3170.5-162.90000111A18 W21 V35 C36 L37 F54 M100 A102T7-A18 HydrophobicContact CG2-CB 3.91Å; T7-W21 HydrophobicContact CG2-CD2 4.23Å; T7-W21 HydrophobicContact CG2-CE3 3.63Å; T7-W21 HydrophobicContact CG2-CH2 4.23Å; T7-W21 HydrophobicContact CG2-CZ3 3.64Å; T7-V35 PolarHBondContact N-O 3.3Å; T7-C36 HydrophobicContact CG2-CB 4.49Å; T7-L37 PolarHBondContact O-N 3.35Å; T7-F54 HydrophobicContact CG2-CE1 3.82Å; T7-F54 HydrophobicContact CG2-CZ 4.09Å; T7-M100 WeakPolarHBondContact CA-O 3.43Å; T7-M100 VanDerWaalsContact CB-O 3.26Å; T7-M100 WeakPolarHBondContact CB-O 3.38Å; T7-M100 PolarHBondContact OG1-O 3.37Å; T7-A102 WeakPolarHBondContact OG1-CA 3.13Å; T7-A102 PolarHBondContact OG1-N 2.81Å
8L97.7Very high94.4Very high11 Ų1131.1 Ų31.16%0.05816%0.159CC..EExtended strand (participates in β ladder)trans-130.4125.9179.1171.463.6000110.3T10 L37 T84 K85 F99L8-T10 HydrophobicContact CD1-CG2 4.08Å; L8-T10 HydrophobicContact CD2-CG2 3.82Å; L8-T10 HydrophobicContact CG-CG2 3.82Å; L8-L37 WeakPolarHBondContact CA-O 3.38Å; L8-L37 HydrophobicContact CB-CB 4.4Å; L8-L37 HydrophobicContact CD1-CB 3.68Å; L8-T84 HydrophobicContact CD1-CG2 3.56Å; L8-T84 HydrophobicContact CD2-CG2 4.06Å; L8-T84 HydrophobicContact CG-CG2 4.48Å; L8-K85 HydrophobicContact CD2-CB 3.94Å; L8-F99 HydrophobicContact CB-CE2 4.4Å; L8-F99 HydrophobicContact CB-CZ 3.93Å
9A96.5Very high94.6Very high0 Ų029.5 Ų29.50%015%0.15CC..EExtended strand (participates in β ladder)trans-113.3110.4168.300000109.9A15 A18 L37 V38 T39 V42A9-A15 HydrophobicContact CB-CB 4.16Å; A9-A18 HydrophobicContact CB-CB 4.18Å; A9-L37 PolarHBondContact N-O 3.04Å; A9-V38 HydrophobicContact CB-CG1 4.47Å; A9-V38 WeakPolarHBondContact O-CA 3.38Å; A9-T39 PolarHBondContact O-N 3.28Å; A9-V42 HydrophobicContact CB-CG2 4.39Å; A9-V42 WeakPolarHBondContact O-CG2 3.45Å
10T93.1Very high94.8Very high27 Ų2728 Ų2817%0.16614%0.143CC..  trans-92.1-11.1-178.253.20000114L8 T39 Q41 V81L8-T10 HydrophobicContact CD1-CG2 4.08Å; L8-T10 HydrophobicContact CD2-CG2 3.82Å; L8-T10 HydrophobicContact CG-CG2 3.82Å; T10-T39 VanDerWaalsContact C-OG1 3.3Å; T10-T39 WeakPolarHBondContact CA-OG1 3.24Å; T10-T39 HydrophobicContact CG2-CG2 4.27Å; T10-T39 PolarHBondContact O-OG1 2.89Å; T10-Q41 VanDerWaalsContact O-CB 3.3Å; T10-Q41 WeakPolarHBondContact O-CB 3.06Å; T10-V81 HydrophobicContact CG2-CG1 4.29Å
11N93.2Very high95Very high50 Ų5026.7 Ų26.727%0.26714%0.136SC..SBendtrans-162.4-178178.862.928000109.1E13 Y14 A15 Q41N11-E13 PolarHBondContact O-N 3.44Å; N11-E13 WeakPolarHBondContact OD1-CB 3.44Å; N11-E13 PolarHBondContact OD1-N 3.43Å; N11-E13 VanDerWaalsContact OD1-N 3.1Å; N11-Y14 WeakPolarHBondContact OD1-CD2 3.47Å; N11-Y14 PolarHBondContact OD1-N 3.48Å; N11-A15 WeakPolarHBondContact O-CB 3.11Å; N11-A15 PolarHBondContact O-N 3.15Å; N11-Q41 HydrophobicContact CB-CB 4.46Å
12D94.8Very high96.8Very high26 Ų2617 Ų1714%0.1399%0.088CC..Hα-helixtrans-67.1-31.5-178.2-78.45.3000114.4A15 C16 V42 S43 M46 V266D12-A15 WeakPolarHBondContact O-CB 3.29Å; D12-A15 PolarHBondContact O-N 3.18Å; D12-C16 PolarHBondContact O-N 3.22Å; D12-C16 VanDerWaalsContact O-N 3.08Å; D12-C16 PolarHBondContact O-SG 3.39Å; D12-V42 WeakPolarHBondContact OD1-CA 3.03Å; D12-S43 VanDerWaalsContact CG-OG 3.3Å; D12-S43 PolarHBondContact OD1-N 3.22Å; D12-S43 PolarHBondContact OD1-OG 2.95Å; D12-S43 WeakPolarHBondContact OD2-CB 3.3Å; D12-S43 PolarHBondContact OD2-OG 3.22Å; D12-M46 HydrophobicContact CB-CG 4.13Å; D12-V266 HydrophobicContact CB-CG2 3.69Å
13E93.8Very high97.1Very high64 Ų6415.4 Ų15.430%0.2997%0.073SC..Hα-helixtrans-65.1-49.9176.7-64.2-179.1-170.100111N11 A15 C16 G17 H220 F265N11-E13 PolarHBondContact O-N 3.44Å; N11-E13 WeakPolarHBondContact OD1-CB 3.44Å; N11-E13 PolarHBondContact OD1-N 3.43Å; N11-E13 VanDerWaalsContact OD1-N 3.1Å; E13-A15 PolarHBondContact O-N 3.46Å; E13-C16 WeakPolarHBondContact O-CB 3.26Å; E13-C16 PolarHBondContact O-N 3.19Å; E13-C16 VanDerWaalsContact O-N 3.14Å; E13-G17 PolarHBondContact O-N 2.9Å; E13-H220 IonicContact OE2-NE2 3.79Å; E13-H220 PolarHBondContact OE2-NE2 3.48Å; E13-F265 HydrophobicContact CB-CD1 4.36Å; E13-F265 HydrophobicContact CB-CE1 4.12Å; E13-F265 HydrophobicContact CG-CD1 3.56Å; E13-F265 HydrophobicContact CG-CD2 4.2Å; E13-F265 HydrophobicContact CG-CE1 3.69Å; E13-F265 HydrophobicContact CG-CE2 4.33Å; E13-F265 HydrophobicContact CG-CG 3.83Å; E13-F265 HydrophobicContact CG-CZ 4.1Å
14Y95.2Very high97.1Very high66 Ų6613.2 Ų13.226%0.2596%0.063SC..Hα-helixtrans-69.9-23.1175.4-80.8-99000112.2N11 G17 A18 A102 W219N11-Y14 WeakPolarHBondContact OD1-CD2 3.47Å; N11-Y14 PolarHBondContact OD1-N 3.48Å; Y14-G17 PolarHBondContact O-N 3.32Å; Y14-A18 VanDerWaalsContact O-CB 3.32Å; Y14-A18 WeakPolarHBondContact O-CB 3.36Å; Y14-A18 PolarHBondContact O-N 3.17Å; Y14-A102 HydrophobicContact CD1-CB 4.15Å; Y14-W219 HydrophobicContact CD1-CH2 4.03Å; Y14-W219 HydrophobicContact CD1-CZ2 4.16Å; Y14-W219 HydrophobicContact CD2-CZ2 4.01Å; Y14-W219 HydrophobicContact CE1-CH2 4.17Å; Y14-W219 HydrophobicContact CE1-CZ2 4.21Å; Y14-W219 HydrophobicContact CE2-CZ2 4.07Å; Y14-W219 HydrophobicContact CG-CH2 4.29Å; Y14-W219 HydrophobicContact CG-CZ2 4.07Å
15A97Very high97.1Very high0 Ų013.2 Ų13.20%06%0.063CC..Hα-helixtrans-65.7-38.4169.700000111.7A9 N11 D12 E13 A18 L19 V42 M46 I50A9-A15 HydrophobicContact CB-CB 4.16Å; N11-A15 WeakPolarHBondContact O-CB 3.11Å; N11-A15 PolarHBondContact O-N 3.15Å; D12-A15 WeakPolarHBondContact O-CB 3.29Å; D12-A15 PolarHBondContact O-N 3.18Å; E13-A15 PolarHBondContact O-N 3.46Å; A15-A18 PolarHBondContact O-N 3.27Å; A15-L19 VanDerWaalsContact O-CG 3.3Å; A15-L19 WeakPolarHBondContact O-CG 3.34Å; A15-L19 PolarHBondContact O-N 3.39Å; A15-V42 HydrophobicContact CB-CG1 4.13Å; A15-M46 HydrophobicContact CB-CB 4.16Å; A15-M46 HydrophobicContact CB-CE 3.63Å; A15-M46 HydrophobicContact CB-CG 4.47Å; A15-I50 HydrophobicContact CB-CD1 3.77Å
16C96.3Very high97.1Very high0 Ų017.3 Ų17.30%08%0.078CC..Hα-helixtrans-60.8-45.8171-67.20000111.4D12 E13 L19 V20 F250D12-C16 PolarHBondContact O-N 3.22Å; D12-C16 VanDerWaalsContact O-N 3.08Å; D12-C16 PolarHBondContact O-SG 3.39Å; E13-C16 WeakPolarHBondContact O-CB 3.26Å; E13-C16 PolarHBondContact O-N 3.19Å; E13-C16 VanDerWaalsContact O-N 3.14Å; C16-L19 PolarHBondContact O-N 3.17Å; C16-V20 PolarHBondContact O-N 3.42Å; C16-V20 VanDerWaalsContact O-N 3.16Å; C16-F250 HydrophobicContact CB-CE2 4.13Å
17G97.3Very high97Very high0 Ų022.5 Ų22.50%010%0.103CC..Hα-helixtrans-56-50.517300000112.8E13 Y14 L19 V20 W21 A102E13-G17 PolarHBondContact O-N 2.9Å; Y14-G17 PolarHBondContact O-N 3.32Å; G17-L19 VanDerWaalsContact C-N 3.3Å; G17-L19 PolarHBondContact O-N 3Å; G17-V20 PolarHBondContact O-N 2.67Å; G17-W21 VanDerWaalsContact O-CB 3.32Å; G17-W21 WeakPolarHBondContact O-CB 3.45Å; G17-W21 PolarHBondContact O-N 3.2Å; G17-A102 CarbonylContact C-O 3.38Å; G17-A102 VanDerWaalsContact CA-O 3.25Å; G17-A102 WeakPolarHBondContact CA-O 3.34Å
18A98.4Very high97Very high0 Ų023.9 Ų23.90%011%0.111CC..Hα-helixtrans-61.1-36.6-179.200000112.4T7 A9 Y14 A15 W21 A22 F54 A102T7-A18 HydrophobicContact CG2-CB 3.91Å; A9-A18 HydrophobicContact CB-CB 4.18Å; Y14-A18 VanDerWaalsContact O-CB 3.32Å; Y14-A18 WeakPolarHBondContact O-CB 3.36Å; Y14-A18 PolarHBondContact O-N 3.17Å; A15-A18 PolarHBondContact O-N 3.27Å; A18-W21 WeakPolarHBondContact O-CB 3.34Å; A18-W21 PolarHBondContact O-N 3.44Å; A18-A22 WeakPolarHBondContact O-CB 3.4Å; A18-A22 PolarHBondContact O-N 3.24Å; A18-F54 HydrophobicContact CB-CZ 4.03Å; A18-F54 VanDerWaalsContact O-CZ 3.29Å; A18-F54 WeakPolarHBondContact O-CZ 3.43Å; A18-A102 HydrophobicContact CB-CB 4Å
19L98.5Very high97Very high0 Ų031.4 Ų31.40%014%0.143CC..Hα-helixtrans-65.9-48.1175.1-73.1165.9000111.7A15 C16 G17 W21 A22 Y23 M46 I49 I50 V53 F54 V254A15-L19 VanDerWaalsContact O-CG 3.3Å; A15-L19 WeakPolarHBondContact O-CG 3.34Å; A15-L19 PolarHBondContact O-N 3.39Å; C16-L19 PolarHBondContact O-N 3.17Å; G17-L19 VanDerWaalsContact C-N 3.3Å; G17-L19 PolarHBondContact O-N 3Å; L19-W21 VanDerWaalsContact C-N 3.29Å; L19-W21 PolarHBondContact O-N 3.31Å; L19-A22 PolarHBondContact O-N 3.29Å; L19-Y23 WeakPolarHBondContact O-CD2 2.93Å; L19-Y23 PolarHBondContact O-N 3.43Å; L19-M46 HydrophobicContact CD1-CE 3.64Å; L19-I49 HydrophobicContact CD1-CB 4.42Å; L19-I49 HydrophobicContact CD1-CG2 3.6Å; L19-I49 HydrophobicContact CD2-CG2 3.78Å; L19-I49 HydrophobicContact CG-CG2 4.37Å; L19-I50 HydrophobicContact CD2-CG1 4.05Å; L19-I50 HydrophobicContact CG-CG1 4.18Å; L19-V53 HydrophobicContact CD2-CB 4.05Å; L19-V53 HydrophobicContact CD2-CG1 4.35Å; L19-V53 HydrophobicContact CD2-CG2 3.88Å; L19-F54 HydrophobicContact CD2-CE2 4.18Å; L19-V254 HydrophobicContact CB-CG1 4.18Å; L19-V254 HydrophobicContact CB-CG2 3.74Å; L19-V254 HydrophobicContact CD1-CG1 3.88Å
20V98.4Very high97.1Very high0 Ų032 Ų320%015%0.147CC..Hα-helixtrans-60.9-42175.3174.30000111C16 G17 A22 Y23 S24 W246 L249 F250 V254C16-V20 PolarHBondContact O-N 3.42Å; C16-V20 VanDerWaalsContact O-N 3.16Å; G17-V20 PolarHBondContact O-N 2.67Å; V20-A22 PolarHBondContact O-N 2.76Å; V20-Y23 PolarHBondContact O-N 3.04Å; V20-S24 WeakPolarHBondContact O-CB 3.36Å; V20-S24 PolarHBondContact O-N 3.42Å; V20-W246 HydrophobicContact CB-CZ2 4.12Å; V20-W246 VanDerWaalsContact CG1-CD1 3.45Å; V20-W246 HydrophobicContact CG1-CD2 4.1Å; V20-W246 HydrophobicContact CG1-CG 3.85Å; V20-W246 HydrophobicContact CG2-CD2 4.29Å; V20-W246 HydrophobicContact CG2-CH2 4.14Å; V20-W246 HydrophobicContact CG2-CZ2 3.61Å; V20-L249 HydrophobicContact CG1-CB 3.82Å; V20-L249 HydrophobicContact CG1-CD1 3.95Å; V20-F250 HydrophobicContact CG2-CB 3.77Å; V20-F250 HydrophobicContact CG2-CD2 3.81Å; V20-F250 HydrophobicContact CG2-CG 4.3Å; V20-V254 HydrophobicContact CG2-CG2 3.93Å
21W98.4Very high97.3Very high0 Ų035.5 Ų35.50%017%0.168CC..Hα-helixtrans-56.1-49.1174.2174.288.9000111.8F5 T7 G17 A18 L19 Y23 S24 L25 V34 F54 M100 T104F5-W21 HydrophobicContact CB-CH2 3.54Å; F5-W21 HydrophobicContact CB-CZ2 3.79Å; T7-W21 HydrophobicContact CG2-CD2 4.23Å; T7-W21 HydrophobicContact CG2-CE3 3.63Å; T7-W21 HydrophobicContact CG2-CH2 4.23Å; T7-W21 HydrophobicContact CG2-CZ3 3.64Å; G17-W21 VanDerWaalsContact O-CB 3.32Å; G17-W21 WeakPolarHBondContact O-CB 3.45Å; G17-W21 PolarHBondContact O-N 3.2Å; A18-W21 WeakPolarHBondContact O-CB 3.34Å; A18-W21 PolarHBondContact O-N 3.44Å; L19-W21 VanDerWaalsContact C-N 3.29Å; L19-W21 PolarHBondContact O-N 3.31Å; W21-Y23 PolarHBondContact O-N 2.58Å; W21-S24 PolarHBondContact O-N 3.19Å; W21-S24 PolarHBondContact O-OG 3.33Å; W21-L25 HydrophobicContact CD2-CD1 4.07Å; W21-L25 HydrophobicContact CE3-CD1 4.09Å; W21-L25 HydrophobicContact CH2-CD1 3.44Å; W21-L25 VanDerWaalsContact CH2-CD1 3.44Å; W21-L25 HydrophobicContact CZ2-CD1 3.38Å; W21-L25 HydrophobicContact CZ3-CD1 3.79Å; W21-L25 PolarHBondContact O-N 2.82Å; W21-L25 VanDerWaalsContact O-N 3.12Å; W21-V34 HydrophobicContact CE3-CG1 4.25Å; W21-V34 HydrophobicContact CH2-CG1 4.15Å; W21-V34 HydrophobicContact CZ3-CG1 3.46Å; W21-V34 VanDerWaalsContact CZ3-CG1 3.46Å; W21-F54 HydrophobicContact CE3-CE1 4.06Å; W21-F54 HydrophobicContact CE3-CZ 4.3Å; W21-F54 AromaticContact CZ3-CE1 3.77Å; W21-F54 HydrophobicContact CZ3-CE1 3.77Å; W21-F54 HydrophobicContact CZ3-CZ 4.46Å; W21-M100 HydrophobicContact CZ2-CB 3.79Å; W21-M100 HydrophobicContact CZ2-CG 4.15Å; W21-M100 HydrophobicContact CZ2-SD 3.92Å; W21-T104 PolarHBondContact NE1-OG1 2.82Å
22A98.7Very high97.5Very high0 Ų036.6 Ų36.60%017%0.169CC..Hα-helixtrans-61.5-4517800000111.5A18 L19 V20 S24 L25 R26 V34 V53 F54A18-A22 WeakPolarHBondContact O-CB 3.4Å; A18-A22 PolarHBondContact O-N 3.24Å; L19-A22 PolarHBondContact O-N 3.29Å; V20-A22 PolarHBondContact O-N 2.76Å; A22-S24 VanDerWaalsContact C-N 3.33Å; A22-S24 PolarHBondContact O-N 3.34Å; A22-L25 WeakPolarHBondContact O-CB 3.46Å; A22-L25 PolarHBondContact O-N 2.85Å; A22-R26 WeakPolarHBondContact O-CG 3.43Å; A22-R26 PolarHBondContact O-N 3Å; A22-R26 VanDerWaalsContact O-N 3.08Å; A22-V34 HydrophobicContact CB-CG1 3.86Å; A22-V53 HydrophobicContact CB-CG1 3.83Å; A22-F54 HydrophobicContact CB-CD2 4.44Å; A22-F54 HydrophobicContact CB-CE1 4.06Å; A22-F54 HydrophobicContact CB-CE2 3.87Å; A22-F54 HydrophobicContact CB-CZ 3.68Å
23Y98.5Very high97.7Very high33 Ų3338.7 Ų38.713%0.12918%0.177CC..Hα-helixtrans-63.1-38.3175.9-77.8-63.9000112.6L19 V20 W21 L25 R26 E27 V53 H253 V254 K257L19-Y23 WeakPolarHBondContact O-CD2 2.93Å; L19-Y23 PolarHBondContact O-N 3.43Å; V20-Y23 PolarHBondContact O-N 3.04Å; W21-Y23 PolarHBondContact O-N 2.58Å; Y23-L25 VanDerWaalsContact C-N 3.3Å; Y23-L25 PolarHBondContact O-N 2.83Å; Y23-R26 PolarHBondContact O-N 3.25Å; Y23-R26 VanDerWaalsContact O-N 3.1Å; Y23-E27 WeakPolarHBondContact O-CG 3.3Å; Y23-E27 PolarHBondContact O-N 2.97Å; Y23-V53 HydrophobicContact CE1-CG1 4.43Å; Y23-V53 HydrophobicContact CE2-CG1 4.08Å; Y23-V53 HydrophobicContact CE2-CG2 4.01Å; Y23-V53 VanDerWaalsContact OH-CG2 3.3Å; Y23-V53 WeakPolarHBondContact OH-CG2 3.39Å; Y23-H253 HydrophobicContact CD1-CB 3.7Å; Y23-H253 AromaticContact CD1-CD2 3.95Å; Y23-H253 AromaticContact CD1-CG 3.68Å; Y23-H253 HydrophobicContact CD2-CB 3.49Å; Y23-H253 VanDerWaalsContact CD2-CB 3.49Å; Y23-H253 HydrophobicContact CE1-CB 3.75Å; Y23-H253 AromaticContact CE1-CG 3.95Å; Y23-H253 HydrophobicContact CE2-CB 3.55Å; Y23-H253 HydrophobicContact CG-CB 3.58Å; Y23-H253 AromaticContact CG-CG 3.89Å; Y23-V254 HydrophobicContact CD2-CG2 3.89Å; Y23-V254 HydrophobicContact CE2-CG2 4.04Å; Y23-K257 WeakPolarHBondContact OH-CE 3.47Å
24S98.5Very high97.9Very high0 Ų035.6 Ų35.60%016%0.163CC..Hα-helixtrans-60.4-39.6176.179.90000112.2V20 W21 A22 V28 V106V20-S24 WeakPolarHBondContact O-CB 3.36Å; V20-S24 PolarHBondContact O-N 3.42Å; W21-S24 PolarHBondContact O-N 3.19Å; W21-S24 PolarHBondContact O-OG 3.33Å; A22-S24 VanDerWaalsContact C-N 3.33Å; A22-S24 PolarHBondContact O-N 3.34Å; S24-V28 WeakPolarHBondContact O-CG2 3.38Å; S24-V28 PolarHBondContact O-N 2.84Å; S24-V106 WeakPolarHBondContact CB-O 3.25Å; S24-V106 WeakPolarHBondContact OG-CB 3.16Å; S24-V106 PolarHBondContact OG-N 2.85Å
25L98.6Very high98.1Very high0 Ų032.5 Ų32.50%015%0.151CC..Hα-helixtrans-65.5-39.5173-81.7171000112.7F5 W21 A22 Y23 V28 K29 T30 V34 V106 I110F5-L25 HydrophobicContact CB-CD1 3.69Å; F5-L25 HydrophobicContact CD1-CD1 4.29Å; F5-L25 HydrophobicContact CD1-CD2 4.1Å; F5-L25 HydrophobicContact CD2-CD1 4.12Å; F5-L25 HydrophobicContact CD2-CD2 3.91Å; F5-L25 HydrophobicContact CE1-CD2 4.12Å; F5-L25 HydrophobicContact CE2-CD2 3.91Å; F5-L25 HydrophobicContact CG-CD1 3.78Å; F5-L25 HydrophobicContact CG-CD2 4.01Å; F5-L25 HydrophobicContact CZ-CD2 4.03Å; W21-L25 HydrophobicContact CD2-CD1 4.07Å; W21-L25 HydrophobicContact CE3-CD1 4.09Å; W21-L25 HydrophobicContact CH2-CD1 3.44Å; W21-L25 VanDerWaalsContact CH2-CD1 3.44Å; W21-L25 HydrophobicContact CZ2-CD1 3.38Å; W21-L25 HydrophobicContact CZ3-CD1 3.79Å; W21-L25 PolarHBondContact O-N 2.82Å; W21-L25 VanDerWaalsContact O-N 3.12Å; A22-L25 WeakPolarHBondContact O-CB 3.46Å; A22-L25 PolarHBondContact O-N 2.85Å; Y23-L25 VanDerWaalsContact C-N 3.3Å; Y23-L25 PolarHBondContact O-N 2.83Å; L25-V28 VanDerWaalsContact O-CG2 3.26Å; L25-V28 WeakPolarHBondContact O-CG2 3.33Å; L25-K29 PolarHBondContact O-N 3.41Å; L25-T30 HydrophobicContact CB-CG2 3.91Å; L25-T30 HydrophobicContact CD2-CG2 4.46Å; L25-T30 WeakPolarHBondContact O-CG2 3.37Å; L25-T30 PolarHBondContact O-N 2.98Å; L25-T30 VanDerWaalsContact O-N 3.08Å; L25-V34 HydrophobicContact CD1-CG1 4.4Å; L25-V34 HydrophobicContact CD1-CG2 4.35Å; L25-V106 HydrophobicContact CD2-CB 4.41Å; L25-V106 HydrophobicContact CD2-CG1 4.33Å; L25-V106 HydrophobicContact CD2-CG2 3.85Å; L25-V106 HydrophobicContact CG-CG2 3.97Å; L25-I110 HydrophobicContact CD2-CD1 4.26Å; L25-I110 HydrophobicContact CD2-CG1 4.31Å
26R98Very high98.2Very high86 Ų8632.5 Ų32.533%0.32515%0.151SC..Hα-helixtrans-70.3-40.3179.2-64.2-53-171.6-170.42.8112.6A22 Y23 V28 K29 V34 D55A22-R26 WeakPolarHBondContact O-CG 3.43Å; A22-R26 PolarHBondContact O-N 3Å; A22-R26 VanDerWaalsContact O-N 3.08Å; Y23-R26 PolarHBondContact O-N 3.25Å; Y23-R26 VanDerWaalsContact O-N 3.1Å; R26-V28 VanDerWaalsContact C-N 3.28Å; R26-V28 PolarHBondContact O-N 3.33Å; R26-K29 WeakPolarHBondContact O-CA 3.29Å; R26-K29 PolarHBondContact O-N 3.23Å; R26-V34 VanDerWaalsContact CZ-CG2 3.42Å; R26-D55 IonicContact CZ-OD2 2.96Å; R26-D55 IonicContact NH1-OD2 2.9Å; R26-D55 IonicContact NH2-OD1 2.63Å; R26-D55 PolarHBondContact NH2-OD1 3.26Å; R26-D55 IonicContact NH2-OD2 2.72Å; R26-D55 PolarHBondContact NH2-OD2 2.65Å
27E97.5Very high98.3Very high110 Ų11032.5 Ų32.551%0.51415%0.151SC..Hα-helixtrans-59.9-38.7176.1-74.7-68.2157.200111.7Y23 K29 L249 H253Y23-E27 WeakPolarHBondContact O-CG 3.3Å; Y23-E27 PolarHBondContact O-N 2.97Å; E27-K29 PolarHBondContact O-N 3.37Å; E27-L249 HydrophobicContact CG-CD2 3.86Å; E27-H253 IonicContact OE1-CE1 2.71Å; E27-H253 IonicContact OE1-NE2 3.08Å; E27-H253 PolarHBondContact OE1-NE2 3.33Å
28V98.1Very high98.2Very high28 Ų2832.7 Ų32.717%0.1715%0.152CC..THydrogen-bonded Turntrans-83.410174.6-53.10000113.7S24 L25 R26 T30 V106 N109S24-V28 WeakPolarHBondContact O-CG2 3.38Å; S24-V28 PolarHBondContact O-N 2.84Å; L25-V28 VanDerWaalsContact O-CG2 3.26Å; L25-V28 WeakPolarHBondContact O-CG2 3.33Å; R26-V28 VanDerWaalsContact C-N 3.28Å; R26-V28 PolarHBondContact O-N 3.33Å; V28-T30 PolarHBondContact O-N 3.42Å; V28-V106 HydrophobicContact CG1-CG1 4.36Å; V28-V106 HydrophobicContact CG2-CG1 3.77Å; V28-N109 HydrophobicContact CB-CB 4.39Å; V28-N109 PolarHBondContact O-ND2 3.12Å
29K98.2Very high98Very high170 Ų17033 Ų3374%0.73915%0.154SC*.THydrogen-bonded Turntrans56.647.3173.2-56.4175.7-177.11770113.2L25 R26 E27 T31 N109L25-K29 PolarHBondContact O-N 3.41Å; R26-K29 WeakPolarHBondContact O-CA 3.29Å; R26-K29 PolarHBondContact O-N 3.23Å; E27-K29 PolarHBondContact O-N 3.37Å; K29-T31 PolarHBondContact O-N 3.47Å; K29-N109 PolarHBondContact O-ND2 3.38Å
30T98.2Very high97.7Very high13 Ų1338.3 Ų38.38%0.0818%0.177CC..  trans-55.7140.1168.9-175.10000110.6F5 L25 V28 R32 V34 D111F5-T30 VanDerWaalsContact CE2-OG1 3.24Å; F5-T30 WeakPolarHBondContact CE2-OG1 3.48Å; L25-T30 HydrophobicContact CB-CG2 3.91Å; L25-T30 HydrophobicContact CD2-CG2 4.46Å; L25-T30 WeakPolarHBondContact O-CG2 3.37Å; L25-T30 PolarHBondContact O-N 2.98Å; L25-T30 VanDerWaalsContact O-N 3.08Å; V28-T30 PolarHBondContact O-N 3.42Å; T30-R32 PolarHBondContact OG1-N 2.87Å; T30-V34 HydrophobicContact CG2-CG2 4.15Å; T30-D111 WeakPolarHBondContact CB-OD1 3.4Å; T30-D111 PolarHBondContact OG1-OD1 3.1Å
31T97.8Very high97.4Very high100 Ų10043.5 Ų43.561%0.61320%0.201SC*.  trans-97-0.5175.8570000112.5K29 D111K29-T31 PolarHBondContact O-N 3.47Å; T31-D111 PolarHBondContact N-OD2 3.25Å; T31-D111 PolarHBondContact OG1-OD2 3.28Å
32R98.2Very high97.2Very high73 Ų7343.8 Ų43.828%0.27520%0.203SC..SBendtrans-97.4164.6-176.9-55.7-43.7-161.6-102-2.2111.6E3 F5 T30 D111 F114E3-R32 HydrophobicContact CB-CG 4.37Å; E3-R32 IonicContact OE2-CZ 2.8Å; E3-R32 IonicContact OE2-NE 2.63Å; E3-R32 PolarHBondContact OE2-NE 2.92Å; E3-R32 IonicContact OE2-NH2 3.6Å; E3-R32 PolarHBondContact OE2-NH2 2.93Å; F5-R32 HydrophobicContact CD2-CB 4.01Å; F5-R32 HydrophobicContact CE2-CB 4.08Å; F5-R32 HydrophobicContact CE2-CG 4.31Å; T30-R32 PolarHBondContact OG1-N 2.87Å; R32-D111 IonicContact NH1-OD2 3.2Å; R32-F114 HydrophobicContact CB-CE2 4.07Å; R32-F114 HydrophobicContact CB-CZ 4.08Å; R32-F114 HydrophobicContact CG-CD2 3.85Å; R32-F114 HydrophobicContact CG-CE2 3.43Å; R32-F114 VanDerWaalsContact CG-CE2 3.43Å; R32-F114 HydrophobicContact CG-CZ 3.82Å
33Q98.3Very high96.9Very high69 Ų6945.5 Ų45.532%0.32222%0.215SC..EExtended strand (participates in β ladder)trans-71.1147.6176.6-68.9-145.9-18.200111.4E3 A4 F5 V35 D55 Y94E3-Q33 PolarHBondContact O-N 3.48Å; E3-Q33 VanDerWaalsContact O-N 3.12Å; A4-Q33 CarbonylContact C-O 3.43Å; A4-Q33 VanDerWaalsContact CA-O 3.26Å; A4-Q33 WeakPolarHBondContact CA-O 3.36Å; A4-Q33 HydrophobicContact CB-CB 4.09Å; F5-Q33 PolarHBondContact N-O 2.79Å; Q33-V35 HydrophobicContact CB-CG2 4.46Å; Q33-D55 VanDerWaalsContact CA-OD2 3.25Å; Q33-D55 WeakPolarHBondContact CA-OD2 3.33Å; Q33-D55 HydrophobicContact CB-CB 4.27Å; Q33-D55 HydrophobicContact CG-CB 4.4Å; Q33-Y94 HydrophobicContact CB-CE1 4.19Å; Q33-Y94 HydrophobicContact CG-CE1 4.41Å; Q33-Y94 PolarHBondContact OE1-OH 3.45Å; Q33-Y94 VanDerWaalsContact OE1-OH 3.04Å
34V98.5Very high96.7Very high0 Ų051.6 Ų51.60%024%0.242CC..EExtended strand (participates in β ladder)trans-113.3115179.3-175.90000108.1W21 A22 L25 R26 T30 F54 D55W21-V34 HydrophobicContact CE3-CG1 4.25Å; W21-V34 HydrophobicContact CH2-CG1 4.15Å; W21-V34 HydrophobicContact CZ3-CG1 3.46Å; W21-V34 VanDerWaalsContact CZ3-CG1 3.46Å; A22-V34 HydrophobicContact CB-CG1 3.86Å; L25-V34 HydrophobicContact CD1-CG1 4.4Å; L25-V34 HydrophobicContact CD1-CG2 4.35Å; R26-V34 VanDerWaalsContact CZ-CG2 3.42Å; T30-V34 HydrophobicContact CG2-CG2 4.15Å; V34-F54 HydrophobicContact CG1-CD1 3.71Å; V34-F54 HydrophobicContact CG1-CE1 3.86Å; V34-D55 PolarHBondContact N-OD2 3.08Å; V34-D55 PolarHBondContact O-N 2.71Å
35V98.6Very high96.4Very high0 Ų054 Ų540%025%0.254CS..EExtended strand (participates in β ladder)trans-121.5133.2-168.2-175.50000110.8A4 F5 V6 T7 Q33 H56 L91 Y94A4-V35 HydrophobicContact CB-CG2 3.75Å; F5-V35 WeakPolarHBondContact O-CB 3.49Å; F5-V35 PolarHBondContact O-N 3.16Å; V6-V35 WeakPolarHBondContact CA-O 3.36Å; V6-V35 HydrophobicContact CG2-CB 4.22Å; T7-V35 PolarHBondContact N-O 3.3Å; Q33-V35 HydrophobicContact CB-CG2 4.46Å; V35-H56 VanDerWaalsContact CA-O 3.3Å; V35-H56 WeakPolarHBondContact CA-O 3.3Å; V35-H56 HydrophobicContact CG1-CB 4.3Å; V35-H56 HydrophobicContact CG2-CB 4.24Å; V35-L91 HydrophobicContact CG1-CD1 4.14Å; V35-Y94 HydrophobicContact CG2-CE2 3.79Å; V35-Y94 VanDerWaalsContact CG2-OH 3.28Å; V35-Y94 WeakPolarHBondContact CG2-OH 3.47Å
36C98.6Very high96.3Very high0 Ų054 Ų540%025%0.254CS..EExtended strand (participates in β ladder)trans-112.8125174-159.80000110.6T7 V38 I50 F54 H56 V57 K58T7-C36 HydrophobicContact CG2-CB 4.49Å; C36-V38 HydrophobicContact CB-CG1 4.29Å; C36-I50 HydrophobicContact CB-CG2 4.04Å; C36-F54 HydrophobicContact CB-CD1 3.48Å; C36-F54 VanDerWaalsContact CB-CD1 3.48Å; C36-F54 HydrophobicContact CB-CD2 4.28Å; C36-F54 HydrophobicContact CB-CE1 3.46Å; C36-F54 VanDerWaalsContact CB-CE1 3.46Å; C36-F54 HydrophobicContact CB-CE2 4.27Å; C36-F54 HydrophobicContact CB-CG 3.88Å; C36-F54 HydrophobicContact CB-CZ 3.86Å; C36-H56 PolarHBondContact N-O 3.05Å; C36-V57 CarbonylContact O-C 3.59Å; C36-V57 WeakPolarHBondContact O-CA 3.38Å; C36-K58 PolarHBondContact O-N 3.06Å
37L98Very high96.2Very high1 Ų152.5 Ų52.51%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-81.9131.6159.7-56.1-175.5000108.3V6 T7 L8 A9 K58 V60 H87 C88 L91V6-L37 HydrophobicContact CG1-CD1 4.35Å; V6-L37 HydrophobicContact CG1-CG 4.08Å; T7-L37 PolarHBondContact O-N 3.35Å; L8-L37 WeakPolarHBondContact CA-O 3.38Å; L8-L37 HydrophobicContact CB-CB 4.4Å; L8-L37 HydrophobicContact CD1-CB 3.68Å; A9-L37 PolarHBondContact N-O 3.04Å; L37-K58 WeakPolarHBondContact CA-O 3.4Å; L37-K58 HydrophobicContact CD2-CB 3.74Å; L37-K58 HydrophobicContact CD2-CG 4.01Å; L37-V60 HydrophobicContact CB-CG2 4.17Å; L37-V60 HydrophobicContact CD2-CG2 4.18Å; L37-H87 HydrophobicContact CD1-CB 4.48Å; L37-C88 HydrophobicContact CD1-CB 3.96Å; L37-L91 HydrophobicContact CD2-CD1 4.13Å; L37-L91 HydrophobicContact CD2-CD2 4.14Å; L37-L91 HydrophobicContact CD2-CG 4.46Å
38V96.5Very high96.2Very high3 Ų352.3 Ų52.32%0.01825%0.254CS..EExtended strand (participates in β ladder)trans-130.2145.9-179.2-62.80000111.1A9 C36 V42 L47 I50 V57 K58 F59 V60A9-V38 HydrophobicContact CB-CG1 4.47Å; A9-V38 WeakPolarHBondContact O-CA 3.38Å; C36-V38 HydrophobicContact CB-CG1 4.29Å; V38-V42 HydrophobicContact CB-CG2 4.3Å; V38-L47 HydrophobicContact CB-CD2 3.98Å; V38-L47 HydrophobicContact CG1-CD2 4.13Å; V38-L47 HydrophobicContact CG2-CD2 3.73Å; V38-I50 HydrophobicContact CG1-CD1 4.17Å; V38-I50 HydrophobicContact CG1-CG2 4.46Å; V38-V57 HydrophobicContact CB-CG1 4.46Å; V38-V57 HydrophobicContact CG1-CG1 3.91Å; V38-V57 HydrophobicContact CG2-CG1 3.63Å; V38-K58 PolarHBondContact N-O 3.15Å; V38-F59 HydrophobicContact CG2-CD2 4.28Å; V38-F59 CarbonylContact O-C 3.56Å; V38-F59 WeakPolarHBondContact O-CA 3.23Å; V38-V60 PolarHBondContact O-N 3.08Å
39T93.4Very high96.1Very high7 Ų751.6 Ų51.64%0.04325%0.249CC..  trans-103174.5174.767.40000111.1A9 T10 Q41 V42 T84A9-T39 PolarHBondContact O-N 3.28Å; T10-T39 VanDerWaalsContact C-OG1 3.3Å; T10-T39 WeakPolarHBondContact CA-OG1 3.24Å; T10-T39 HydrophobicContact CG2-CG2 4.27Å; T10-T39 PolarHBondContact O-OG1 2.89Å; T39-Q41 VanDerWaalsContact CB-OE1 3.28Å; T39-Q41 PolarHBondContact O-N 2.81Å; T39-Q41 PolarHBondContact OG1-N 3.01Å; T39-Q41 PolarHBondContact OG1-OE1 3.32Å; T39-V42 PolarHBondContact O-N 3.43Å; T39-T84 HydrophobicContact CG2-CG2 3.61Å
40K92.2Very high96.1Very high111 Ų11143.5 Ų43.548%0.48321%0.214SC..THydrogen-bonded Turntrans-65.7-13.4175.568-177.3177.6-174.50115.1V42 F59K40-V42 VanDerWaalsContact C-N 3.31Å; K40-F59 HydrophobicContact CB-CE2 4.09Å; K40-F59 HydrophobicContact CB-CZ 3.86Å
41Q91.7Very high96.1Very high109 Ų10945.1 Ų45.151%0.50923%0.233SC..THydrogen-bonded Turntrans-84.5-7.7179.8-69.87910.900112.7T10 N11 T39T10-Q41 VanDerWaalsContact O-CB 3.3Å; T10-Q41 WeakPolarHBondContact O-CB 3.06Å; N11-Q41 HydrophobicContact CB-CB 4.46Å; T39-Q41 VanDerWaalsContact CB-OE1 3.28Å; T39-Q41 PolarHBondContact O-N 2.81Å; T39-Q41 PolarHBondContact OG1-N 3.01Å; T39-Q41 PolarHBondContact OG1-OE1 3.32Å
42V93.9Very high96Very high6 Ų644 Ų444%0.03623%0.229CC..SBendtrans-78.7123.3169.6-173.50000108.6A9 D12 A15 V38 T39 K40 M46 L47 I50A9-V42 HydrophobicContact CB-CG2 4.39Å; A9-V42 WeakPolarHBondContact O-CG2 3.45Å; D12-V42 WeakPolarHBondContact OD1-CA 3.03Å; A15-V42 HydrophobicContact CB-CG1 4.13Å; V38-V42 HydrophobicContact CB-CG2 4.3Å; T39-V42 PolarHBondContact O-N 3.43Å; K40-V42 VanDerWaalsContact C-N 3.31Å; V42-M46 HydrophobicContact CG1-CB 3.67Å; V42-L47 HydrophobicContact CB-CD2 4.1Å; V42-L47 HydrophobicContact CB-CG 4.19Å; V42-L47 HydrophobicContact CG1-CD2 3.9Å; V42-L47 HydrophobicContact CG1-CG 3.87Å; V42-I50 HydrophobicContact CG1-CD1 4.27Å
43S93.8Very high96Very high36 Ų3641.3 Ų41.325%0.25222%0.221SC..  trans-64.9157.3-17968.60000111.6D12 Q45 M46 L47D12-S43 VanDerWaalsContact CG-OG 3.3Å; D12-S43 PolarHBondContact OD1-N 3.22Å; D12-S43 PolarHBondContact OD1-OG 2.95Å; D12-S43 WeakPolarHBondContact OD2-CB 3.3Å; D12-S43 PolarHBondContact OD2-OG 3.22Å; S43-Q45 VanDerWaalsContact C-N 3.27Å; S43-Q45 PolarHBondContact O-N 2.88Å; S43-M46 PolarHBondContact O-N 2.81Å; S43-M46 VanDerWaalsContact O-N 3.16Å; S43-M46 WeakPolarHBondContact OG-CG 3.44Å; S43-M46 PolarHBondContact OG-N 2.86Å; S43-L47 WeakPolarHBondContact O-CG 3.27Å; S43-L47 PolarHBondContact O-N 2.73Å
44K93.9Very high96Very high161 Ų16138.7 Ų38.770%0.721%0.209SC*.Hα-helixtrans-57.3-41.1178.7-175.6178.8176.1-174.50112.2M46 L47 D48K44-M46 PolarHBondContact O-N 2.9Å; K44-L47 PolarHBondContact O-N 2.85Å; K44-D48 VanDerWaalsContact O-CG 3.25Å; K44-D48 PolarHBondContact O-N 3.49Å
45Q93.1Very high96Very high52 Ų5242.5 Ų42.524%0.24323%0.229CC..Hα-helixtrans-58.1-49.7176.8177.8-174.7-21.700110.9S43 L47 D48 I49 T259S43-Q45 VanDerWaalsContact C-N 3.27Å; S43-Q45 PolarHBondContact O-N 2.88Å; Q45-L47 VanDerWaalsContact C-N 3.35Å; Q45-L47 PolarHBondContact O-N 3.34Å; Q45-D48 PolarHBondContact O-N 3.12Å; Q45-I49 HydrophobicContact CG-CD1 4.32Å; Q45-I49 WeakPolarHBondContact O-CG1 3.14Å; Q45-I49 PolarHBondContact O-N 3.16Å; Q45-I49 VanDerWaalsContact O-N 3.12Å; Q45-T259 VanDerWaalsContact NE2-N 3.12Å; Q45-T259 PolarHBondContact NE2-O 3.19Å; Q45-T259 PolarHBondContact NE2-OG1 3.08Å; Q45-T259 PolarHBondContact OE1-OG1 3.3Å
46M95.8Very high95.9Very high0 Ų045.4 Ų45.40%024%0.243CC..Hα-helixtrans-66.7-36.8179.4-68-54.5-68.700112.1D12 A15 L19 V42 S43 K44 I49 I50 L258 V266D12-M46 HydrophobicContact CB-CG 4.13Å; A15-M46 HydrophobicContact CB-CB 4.16Å; A15-M46 HydrophobicContact CB-CE 3.63Å; A15-M46 HydrophobicContact CB-CG 4.47Å; L19-M46 HydrophobicContact CD1-CE 3.64Å; V42-M46 HydrophobicContact CG1-CB 3.67Å; S43-M46 PolarHBondContact O-N 2.81Å; S43-M46 VanDerWaalsContact O-N 3.16Å; S43-M46 WeakPolarHBondContact OG-CG 3.44Å; S43-M46 PolarHBondContact OG-N 2.86Å; K44-M46 PolarHBondContact O-N 2.9Å; M46-I49 PolarHBondContact O-N 3.49Å; M46-I49 HydrophobicContact SD-CD1 4.25Å; M46-I50 WeakPolarHBondContact O-CB 3.27Å; M46-I50 VanDerWaalsContact O-CG1 3.31Å; M46-I50 WeakPolarHBondContact O-CG1 3.25Å; M46-I50 PolarHBondContact O-N 3.3Å; M46-L258 HydrophobicContact SD-CD2 4Å; M46-V266 HydrophobicContact CG-CG2 4.15Å; M46-V266 HydrophobicContact SD-CG1 3.86Å; M46-V266 HydrophobicContact SD-CG2 4.03Å
47L96.2Very high95.9Very high54 Ų5447.8 Ų47.828%0.28326%0.257SS..Hα-helixtrans-61.8-42173.4-72.9173.4000112.5V38 V42 S43 K44 Q45 I49 I50 G51V38-L47 HydrophobicContact CB-CD2 3.98Å; V38-L47 HydrophobicContact CG1-CD2 4.13Å; V38-L47 HydrophobicContact CG2-CD2 3.73Å; V42-L47 HydrophobicContact CB-CD2 4.1Å; V42-L47 HydrophobicContact CB-CG 4.19Å; V42-L47 HydrophobicContact CG1-CD2 3.9Å; V42-L47 HydrophobicContact CG1-CG 3.87Å; S43-L47 WeakPolarHBondContact O-CG 3.27Å; S43-L47 PolarHBondContact O-N 2.73Å; K44-L47 PolarHBondContact O-N 2.85Å; Q45-L47 VanDerWaalsContact C-N 3.35Å; Q45-L47 PolarHBondContact O-N 3.34Å; L47-I49 VanDerWaalsContact C-N 3.33Å; L47-I50 PolarHBondContact O-N 3Å; L47-G51 PolarHBondContact O-N 3.1Å
48D96.2Very high95.8Very high105 Ų10552.3 Ų52.356%0.56128%0.277SS*.Hα-helixtrans-63.7-40.8177.4-69.8-22.3000110.7K44 Q45 G51 S52K44-D48 VanDerWaalsContact O-CG 3.25Å; K44-D48 PolarHBondContact O-N 3.49Å; Q45-D48 PolarHBondContact O-N 3.12Å; D48-G51 PolarHBondContact O-N 3.14Å; D48-S52 PolarHBondContact O-N 2.91Å
49I96.9Very high95.8Very high14 Ų1457.4 Ų57.47%0.07230%0.299CS..Hα-helixtrans-66.4-49.5175.9-62.4170.9000110.7L19 Q45 M46 L47 G51 S52 V53 K257 L258L19-I49 HydrophobicContact CD1-CB 4.42Å; L19-I49 HydrophobicContact CD1-CG2 3.6Å; L19-I49 HydrophobicContact CD2-CG2 3.78Å; L19-I49 HydrophobicContact CG-CG2 4.37Å; Q45-I49 HydrophobicContact CG-CD1 4.32Å; Q45-I49 WeakPolarHBondContact O-CG1 3.14Å; Q45-I49 PolarHBondContact O-N 3.16Å; Q45-I49 VanDerWaalsContact O-N 3.12Å; M46-I49 PolarHBondContact O-N 3.49Å; M46-I49 HydrophobicContact SD-CD1 4.25Å; L47-I49 VanDerWaalsContact C-N 3.33Å; I49-G51 VanDerWaalsContact C-N 3.29Å; I49-G51 PolarHBondContact O-N 2.68Å; I49-S52 WeakPolarHBondContact O-CB 3.25Å; I49-S52 PolarHBondContact O-N 2.83Å; I49-S52 PolarHBondContact O-OG 3.3Å; I49-V53 WeakPolarHBondContact O-CG2 3.16Å; I49-V53 PolarHBondContact O-N 3.43Å; I49-K257 HydrophobicContact CD1-CB 4.17Å; I49-K257 VanDerWaalsContact CD1-O 3.29Å; I49-K257 WeakPolarHBondContact CD1-O 3.42Å; I49-K257 HydrophobicContact CG1-CB 4.29Å; I49-K257 HydrophobicContact CG2-CB 4.17Å; I49-K257 HydrophobicContact CG2-CD 3.93Å; I49-L258 HydrophobicContact CD1-CD2 3.78Å
50I97.8Very high95.6Very high0 Ų057.3 Ų57.30%030%0.298CS..Hα-helixtrans-55.4-45.9175.7-76.3172.3000110.4A15 L19 C36 V38 V42 M46 L47 S52 V53 F54 V57A15-I50 HydrophobicContact CB-CD1 3.77Å; L19-I50 HydrophobicContact CD2-CG1 4.05Å; L19-I50 HydrophobicContact CG-CG1 4.18Å; C36-I50 HydrophobicContact CB-CG2 4.04Å; V38-I50 HydrophobicContact CG1-CD1 4.17Å; V38-I50 HydrophobicContact CG1-CG2 4.46Å; V42-I50 HydrophobicContact CG1-CD1 4.27Å; M46-I50 WeakPolarHBondContact O-CB 3.27Å; M46-I50 VanDerWaalsContact O-CG1 3.31Å; M46-I50 WeakPolarHBondContact O-CG1 3.25Å; M46-I50 PolarHBondContact O-N 3.3Å; L47-I50 PolarHBondContact O-N 3Å; I50-S52 PolarHBondContact O-N 2.79Å; I50-S52 VanDerWaalsContact O-N 3.17Å; I50-V53 PolarHBondContact O-N 3.45Å; I50-F54 HydrophobicContact CB-CD2 4.27Å; I50-F54 HydrophobicContact CG1-CE2 4.26Å; I50-F54 HydrophobicContact CG2-CD2 3.67Å; I50-F54 HydrophobicContact CG2-CE2 4.08Å; I50-F54 HydrophobicContact CG2-CG 4.23Å; I50-F54 WeakPolarHBondContact O-CD2 3.32Å; I50-F54 PolarHBondContact O-N 3.15Å; I50-V57 HydrophobicContact CG2-CB 4.47Å; I50-V57 HydrophobicContact CG2-CG1 4Å; I50-V57 HydrophobicContact CG2-CG2 3.6Å
51G97.7Very high95Very high47 Ų4754.7 Ų54.749%0.48529%0.289SS..Hα-helixtrans-61.3-22.4177.800000114.1L47 D48 I49L47-G51 PolarHBondContact O-N 3.1Å; D48-G51 PolarHBondContact O-N 3.14Å; I49-G51 VanDerWaalsContact C-N 3.29Å; I49-G51 PolarHBondContact O-N 2.68Å
52S97.1Very high93.9Very high75 Ų7550.6 Ų50.652%0.52427%0.272SS..Hα-helixtrans-85.3-14.2175.1800000114.5D48 I49 I50D48-S52 PolarHBondContact O-N 2.91Å; I49-S52 WeakPolarHBondContact O-CB 3.25Å; I49-S52 PolarHBondContact O-N 2.83Å; I49-S52 PolarHBondContact O-OG 3.3Å; I50-S52 PolarHBondContact O-N 2.79Å; I50-S52 VanDerWaalsContact O-N 3.17Å
53V97.5Very high92.5Very high18 Ų1855.1 Ų55.111%0.10930%0.295CS..Hα-helixtrans-113-38.5-171.8177.80000112.5L19 A22 Y23 I49 I50L19-V53 HydrophobicContact CD2-CB 4.05Å; L19-V53 HydrophobicContact CD2-CG1 4.35Å; L19-V53 HydrophobicContact CD2-CG2 3.88Å; A22-V53 HydrophobicContact CB-CG1 3.83Å; Y23-V53 HydrophobicContact CE1-CG1 4.43Å; Y23-V53 HydrophobicContact CE2-CG1 4.08Å; Y23-V53 HydrophobicContact CE2-CG2 4.01Å; Y23-V53 VanDerWaalsContact OH-CG2 3.3Å; Y23-V53 WeakPolarHBondContact OH-CG2 3.39Å; I49-V53 WeakPolarHBondContact O-CG2 3.16Å; I49-V53 PolarHBondContact O-N 3.43Å; I50-V53 PolarHBondContact O-N 3.45Å
54F98.4Very high90.8Very high13 Ų1356.7 Ų56.76%0.05730%0.301CS..  trans-88.4145.7-176.1-73.8-102.1000111.7T7 A18 L19 W21 A22 V34 C36 I50 H56 V57T7-F54 HydrophobicContact CG2-CE1 3.82Å; T7-F54 HydrophobicContact CG2-CZ 4.09Å; A18-F54 HydrophobicContact CB-CZ 4.03Å; A18-F54 VanDerWaalsContact O-CZ 3.29Å; A18-F54 WeakPolarHBondContact O-CZ 3.43Å; L19-F54 HydrophobicContact CD2-CE2 4.18Å; W21-F54 HydrophobicContact CE3-CE1 4.06Å; W21-F54 HydrophobicContact CE3-CZ 4.3Å; W21-F54 AromaticContact CZ3-CE1 3.77Å; W21-F54 HydrophobicContact CZ3-CE1 3.77Å; W21-F54 HydrophobicContact CZ3-CZ 4.46Å; A22-F54 HydrophobicContact CB-CD2 4.44Å; A22-F54 HydrophobicContact CB-CE1 4.06Å; A22-F54 HydrophobicContact CB-CE2 3.87Å; A22-F54 HydrophobicContact CB-CZ 3.68Å; V34-F54 HydrophobicContact CG1-CD1 3.71Å; V34-F54 HydrophobicContact CG1-CE1 3.86Å; C36-F54 HydrophobicContact CB-CD1 3.48Å; C36-F54 VanDerWaalsContact CB-CD1 3.48Å; C36-F54 HydrophobicContact CB-CD2 4.28Å; C36-F54 HydrophobicContact CB-CE1 3.46Å; C36-F54 VanDerWaalsContact CB-CE1 3.46Å; C36-F54 HydrophobicContact CB-CE2 4.27Å; C36-F54 HydrophobicContact CB-CG 3.88Å; C36-F54 HydrophobicContact CB-CZ 3.86Å; I50-F54 HydrophobicContact CB-CD2 4.27Å; I50-F54 HydrophobicContact CG1-CE2 4.26Å; I50-F54 HydrophobicContact CG2-CD2 3.67Å; I50-F54 HydrophobicContact CG2-CE2 4.08Å; I50-F54 HydrophobicContact CG2-CG 4.23Å; I50-F54 WeakPolarHBondContact O-CD2 3.32Å; I50-F54 PolarHBondContact O-N 3.15Å; F54-H56 VanDerWaalsContact C-N 3.28Å; F54-H56 PolarHBondContact O-N 2.88Å; F54-V57 HydrophobicContact CB-CG2 4.02Å
55D98Very high88.6Confident80 Ų8052.8 Ų52.843%0.42829%0.294SS..SBendtrans-70.7-30.1176.2-61.2-51000111.4R26 Q33 V34R26-D55 IonicContact CZ-OD2 2.96Å; R26-D55 IonicContact NH1-OD2 2.9Å; R26-D55 IonicContact NH2-OD1 2.63Å; R26-D55 PolarHBondContact NH2-OD1 3.26Å; R26-D55 IonicContact NH2-OD2 2.72Å; R26-D55 PolarHBondContact NH2-OD2 2.65Å; Q33-D55 VanDerWaalsContact CA-OD2 3.25Å; Q33-D55 WeakPolarHBondContact CA-OD2 3.33Å; Q33-D55 HydrophobicContact CB-CB 4.27Å; Q33-D55 HydrophobicContact CG-CB 4.4Å; V34-D55 PolarHBondContact N-OD2 3.08Å; V34-D55 PolarHBondContact O-N 2.71Å
56H97.6Very high86.9Confident62 Ų6259.1 Ų59.129%0.28732%0.32SS..EExtended strand (participates in β ladder)trans-149.6131.6177.9-176.5-169.7000110.6V35 C36 F54 Q93 Y94V35-H56 VanDerWaalsContact CA-O 3.3Å; V35-H56 WeakPolarHBondContact CA-O 3.3Å; V35-H56 HydrophobicContact CG1-CB 4.3Å; V35-H56 HydrophobicContact CG2-CB 4.24Å; C36-H56 PolarHBondContact N-O 3.05Å; F54-H56 VanDerWaalsContact C-N 3.28Å; F54-H56 PolarHBondContact O-N 2.88Å; H56-Q93 PolarHBondContact CE1-NE2 3.34Å; H56-Q93 PolarHBondContact ND1-NE2 2.88Å; H56-Y94 PolarHBondContact ND1-OH 2.91Å
57V97.9Very high85.3Confident49 Ų4961.9 Ų61.930%0.29734%0.335SS..EExtended strand (participates in β ladder)trans-114.7121.5174.7-173.70000108.2C36 V38 I50 F54C36-V57 CarbonylContact O-C 3.59Å; C36-V57 WeakPolarHBondContact O-CA 3.38Å; V38-V57 HydrophobicContact CB-CG1 4.46Å; V38-V57 HydrophobicContact CG1-CG1 3.91Å; V38-V57 HydrophobicContact CG2-CG1 3.63Å; I50-V57 HydrophobicContact CG2-CB 4.47Å; I50-V57 HydrophobicContact CG2-CG1 4Å; I50-V57 HydrophobicContact CG2-CG2 3.6Å; F54-V57 HydrophobicContact CB-CG2 4.02Å
58K96.7Very high83.5Confident97 Ų9767.4 Ų67.442%0.42236%0.36SS..EExtended strand (participates in β ladder)trans-113.2115-179.2-179.564.4175.1-178.30110C36 L37 V38 L91C36-K58 PolarHBondContact O-N 3.06Å; L37-K58 WeakPolarHBondContact CA-O 3.4Å; L37-K58 HydrophobicContact CD2-CB 3.74Å; L37-K58 HydrophobicContact CD2-CG 4.01Å; V38-K58 PolarHBondContact N-O 3.15Å; K58-L91 HydrophobicContact CB-CD2 4.26Å; K58-L91 HydrophobicContact CG-CD2 4.11Å
59F95.1Very high81.8Confident109 Ų10964.7 Ų64.748%0.47835%0.347SS..EExtended strand (participates in β ladder)trans-70.3131.2171.1-170.9-104000111V38 K40 D61V38-F59 HydrophobicContact CG2-CD2 4.28Å; V38-F59 CarbonylContact O-C 3.56Å; V38-F59 WeakPolarHBondContact O-CA 3.23Å; K40-F59 HydrophobicContact CB-CE2 4.09Å; K40-F59 HydrophobicContact CB-CZ 3.86Å; F59-D61 HydrophobicContact CD1-CB 4.45Å; F59-D61 HydrophobicContact CE1-CB 3.83Å
60V90.6Very high80.3Confident6 Ų664.7 Ų64.74%0.03635%0.347CS..  trans-121.9113.3177.7178.90000108.6L37 V38 V62 T84 H87L37-V60 HydrophobicContact CB-CG2 4.17Å; L37-V60 HydrophobicContact CD2-CG2 4.18Å; V38-V60 PolarHBondContact O-N 3.08Å; V60-V62 HydrophobicContact CG1-CG2 4.09Å; V60-T84 HydrophobicContact CB-CG2 4.14Å; V60-T84 HydrophobicContact CG1-CG2 3.78Å; V60-H87 HydrophobicContact CG1-CB 3.93Å; V60-H87 VanDerWaalsContact CG1-CG 3.49Å; V60-H87 HydrophobicContact CG2-CB 3.87Å
61D79.4Confident78.7Confident55 Ų5568.6 Ų68.629%0.29437%0.368SS..  trans-108.4101.1170.8-166.4-2.9000109.6F59 L63 D64F59-D61 HydrophobicContact CD1-CB 4.45Å; F59-D61 HydrophobicContact CE1-CB 3.83Å; D61-L63 PolarHBondContact O-N 2.87Å; D61-L63 PolarHBondContact OD1-N 3.33Å; D61-D64 HydrophobicContact CB-CB 4.28Å; D61-D64 PolarHBondContact O-N 2.96Å
62V69.5Low77.1Confident23 Ų2368 Ų6814%0.13936%0.358CS..THydrogen-bonded Turntrans-69.5-21.6177-176.30000111.2V60 D64 L73 F83 T84V60-V62 HydrophobicContact CG1-CG2 4.09Å; V62-D64 VanDerWaalsContact C-N 3.33Å; V62-L73 HydrophobicContact CG1-CD1 4.07Å; V62-F83 HydrophobicContact CG1-CB 4.1Å; V62-T84 HydrophobicContact CG2-CG2 4.28Å; V62-T84 WeakPolarHBondContact CG2-OG1 3.3Å
63L62.6Low75.5Confident102 Ų10265 Ų6553%0.53434%0.336SS..THydrogen-bonded Turntrans-91.77-179.5-62.6174.5000112.8D61 S65 L74D61-L63 PolarHBondContact O-N 2.87Å; D61-L63 PolarHBondContact OD1-N 3.33Å; L63-S65 VanDerWaalsContact C-N 3.34Å; L63-S65 PolarHBondContact O-N 3.48Å; L63-L74 HydrophobicContact CD2-CD2 3.87Å
64D59.4Low73.8Confident69 Ų6969.4 Ų69.437%0.36936%0.358SS..  trans-68.996.4172.3-166.1-3.3000109.7D61 V62 K66 N70D61-D64 HydrophobicContact CB-CB 4.28Å; D61-D64 PolarHBondContact O-N 2.96Å; V62-D64 VanDerWaalsContact C-N 3.33Å; D64-K66 PolarHBondContact O-N 3.25Å; D64-K66 WeakPolarHBondContact OD1-CG 3.4Å; D64-N70 PolarHBondContact O-ND2 2.87Å
65S47.8Very low72.3Confident79 Ų7972.9 Ų72.955%0.55238%0.384SS*.THydrogen-bonded Turntrans-58.43.9-175.857.20000116.6L63 D67L63-S65 VanDerWaalsContact C-N 3.34Å; L63-S65 PolarHBondContact O-N 3.48Å; S65-D67 VanDerWaalsContact C-N 3.31Å; S65-D67 PolarHBondContact O-N 2.93Å
66K57Low70.9Confident184 Ų18472.3 Ų72.380%0.838%0.376SS*.THydrogen-bonded Turntrans-80.4-7-175.3-68.8179.1-175.4174.10114.7D64D64-K66 PolarHBondContact O-N 3.25Å; D64-K66 WeakPolarHBondContact OD1-CG 3.4Å
67D61.1Low69.6Low59 Ų5974.7 Ų74.732%0.31640%0.397SS..  trans-113.5121.4178.8-162.1-40.2000109.2S65 T69 N70 L71S65-D67 VanDerWaalsContact C-N 3.31Å; S65-D67 PolarHBondContact O-N 2.93Å; D67-T69 PolarHBondContact O-N 2.82Å; D67-T69 VanDerWaalsContact O-N 3.14Å; D67-T69 VanDerWaalsContact OD1-CB 3.26Å; D67-T69 WeakPolarHBondContact OD1-CB 3.42Å; D67-T69 PolarHBondContact OD1-N 3.49Å; D67-T69 PolarHBondContact OD1-OG1 3.29Å; D67-N70 HydrophobicContact CB-CB 3.91Å; D67-N70 WeakPolarHBondContact O-CA 3.36Å; D67-N70 WeakPolarHBondContact O-CB 3.3Å; D67-N70 PolarHBondContact O-N 2.93Å; D67-L71 PolarHBondContact O-N 3.01Å
68E59.5Low68.1Low170 Ų17076.3 Ų76.379%0.79440%0.404SS*.Hα-helixtrans-54.5-32.2176.5-71.3-176.8169.700111.5L71 A72E68-L71 WeakPolarHBondContact O-CB 3.17Å; E68-L71 PolarHBondContact O-N 3.35Å; E68-A72 PolarHBondContact O-N 3.08Å; E68-A72 VanDerWaalsContact O-N 3.14Å
69T60.9Low66.8Low47 Ų4771.7 Ų71.729%0.28838%0.384SS..Hα-helixtrans-70.8-36.2176.5-20.70000111.3D67 L71 A72 L73 L149D67-T69 PolarHBondContact O-N 2.82Å; D67-T69 VanDerWaalsContact O-N 3.14Å; D67-T69 VanDerWaalsContact OD1-CB 3.26Å; D67-T69 WeakPolarHBondContact OD1-CB 3.42Å; D67-T69 PolarHBondContact OD1-N 3.49Å; D67-T69 PolarHBondContact OD1-OG1 3.29Å; T69-L71 VanDerWaalsContact C-N 3.32Å; T69-A72 WeakPolarHBondContact O-CB 3.49Å; T69-A72 PolarHBondContact O-N 3.15Å; T69-L73 WeakPolarHBondContact O-CG 3.31Å; T69-L73 PolarHBondContact O-N 3.04Å; T69-L149 HydrophobicContact CG2-CD2 3.53Å; T69-L149 HydrophobicContact CG2-CG 3.66Å
70N64.7Low65.9Low14 Ų1467.9 Ų67.98%0.07538%0.376CS..Hα-helixtrans-65.7-35.1171.6-72.3-12.5000111.9D64 D67 A72 L73D64-N70 PolarHBondContact O-ND2 2.87Å; D67-N70 HydrophobicContact CB-CB 3.91Å; D67-N70 WeakPolarHBondContact O-CA 3.36Å; D67-N70 WeakPolarHBondContact O-CB 3.3Å; D67-N70 PolarHBondContact O-N 2.93Å; N70-A72 VanDerWaalsContact C-N 3.32Å; N70-A72 PolarHBondContact O-N 2.98Å; N70-L73 HydrophobicContact CB-CD1 4.28Å; N70-L73 WeakPolarHBondContact O-CA 3.44Å; N70-L73 WeakPolarHBondContact O-CB 3.43Å; N70-L73 WeakPolarHBondContact O-CG 3.05Å; N70-L73 PolarHBondContact O-N 2.9Å
71L63.9Low65.3Low83 Ų8371.9 Ų71.944%0.43540%0.4SS..Hα-helixtrans-64.6-37.5175.1-70.6171.3000111.6D67 E68 T69 L73 L74D67-L71 PolarHBondContact O-N 3.01Å; E68-L71 WeakPolarHBondContact O-CB 3.17Å; E68-L71 PolarHBondContact O-N 3.35Å; T69-L71 VanDerWaalsContact C-N 3.32Å; L71-L73 PolarHBondContact O-N 3.39Å; L71-L74 HydrophobicContact CD2-CD1 3.81Å; L71-L74 VanDerWaalsContact O-CB 3.3Å; L71-L74 WeakPolarHBondContact O-CB 3.44Å; L71-L74 PolarHBondContact O-N 3.25Å; L71-L74 VanDerWaalsContact O-N 3.07Å
72A65.2Low65.3Low34 Ų3469.4 Ų69.428%0.28139%0.387SS..Hα-helixtrans-61.1-28.4172.300000112E68 T69 N70 L74 S75 V153E68-A72 PolarHBondContact O-N 3.08Å; E68-A72 VanDerWaalsContact O-N 3.14Å; T69-A72 WeakPolarHBondContact O-CB 3.49Å; T69-A72 PolarHBondContact O-N 3.15Å; N70-A72 VanDerWaalsContact C-N 3.32Å; N70-A72 PolarHBondContact O-N 2.98Å; A72-L74 PolarHBondContact O-N 3.32Å; A72-S75 WeakPolarHBondContact O-CB 3.43Å; A72-S75 PolarHBondContact O-N 3.38Å; A72-S75 VanDerWaalsContact O-N 3.08Å; A72-S75 PolarHBondContact O-OG 3.35Å; A72-V153 HydrophobicContact CB-CG1 4.09Å; A72-V153 HydrophobicContact CB-CG2 4Å
73L61.9Low66Low11 Ų1168.5 Ų68.56%0.05838%0.381CS..Hα-helixtrans-67-25175.9-46.2173.8000112.8V62 T69 N70 L71 S75 R76 F83 L149 V153V62-L73 HydrophobicContact CG1-CD1 4.07Å; T69-L73 WeakPolarHBondContact O-CG 3.31Å; T69-L73 PolarHBondContact O-N 3.04Å; N70-L73 HydrophobicContact CB-CD1 4.28Å; N70-L73 WeakPolarHBondContact O-CA 3.44Å; N70-L73 WeakPolarHBondContact O-CB 3.43Å; N70-L73 WeakPolarHBondContact O-CG 3.05Å; N70-L73 PolarHBondContact O-N 2.9Å; L71-L73 PolarHBondContact O-N 3.39Å; L73-S75 PolarHBondContact O-N 2.83Å; L73-S75 VanDerWaalsContact O-N 3.15Å; L73-R76 CarbonylContact O-C 3.18Å; L73-R76 PolarHBondContact O-N 3.24Å; L73-F83 HydrophobicContact CB-CD2 4.01Å; L73-F83 HydrophobicContact CB-CE2 3.9Å; L73-F83 HydrophobicContact CD1-CB 4.28Å; L73-F83 HydrophobicContact CD1-CD1 4.41Å; L73-F83 HydrophobicContact CD1-CD2 4.03Å; L73-F83 HydrophobicContact CD1-CE2 4.48Å; L73-F83 HydrophobicContact CD1-CG 4Å; L73-F83 HydrophobicContact CD2-CD1 3.76Å; L73-F83 HydrophobicContact CD2-CD2 3.71Å; L73-F83 HydrophobicContact CD2-CE1 3.44Å; L73-F83 VanDerWaalsContact CD2-CE1 3.44Å; L73-F83 HydrophobicContact CD2-CE2 3.33Å; L73-F83 HydrophobicContact CD2-CG 3.92Å; L73-F83 HydrophobicContact CD2-CZ 3.23Å; L73-F83 HydrophobicContact CG-CD2 4.09Å; L73-F83 HydrophobicContact CG-CE2 4.05Å; L73-F83 HydrophobicContact CG-CG 4.42Å; L73-F83 HydrophobicContact CG-CZ 4.39Å; L73-L149 HydrophobicContact CD1-CD1 4.07Å; L73-L149 HydrophobicContact CD2-CD1 3.52Å; L73-L149 HydrophobicContact CG-CD1 4.31Å; L73-V153 HydrophobicContact CD2-CG2 4.17Å
74L63.3Low67.3Low111 Ų11164.1 Ų64.158%0.58136%0.358SS*.THydrogen-bonded Turntrans-62.2-21.1173.7-63173.4000111.9L63 L71 A72 R76L63-L74 HydrophobicContact CD2-CD2 3.87Å; L71-L74 HydrophobicContact CD2-CD1 3.81Å; L71-L74 VanDerWaalsContact O-CB 3.3Å; L71-L74 WeakPolarHBondContact O-CB 3.44Å; L71-L74 PolarHBondContact O-N 3.25Å; L71-L74 VanDerWaalsContact O-N 3.07Å; A72-L74 PolarHBondContact O-N 3.32Å; L74-R76 VanDerWaalsContact C-N 3.28Å
75S66.8Low69Low87 Ų8761 Ų6161%0.60834%0.341SS*.THydrogen-bonded Turntrans-79.2-8.7173.375.50000113.9A72 L73A72-S75 WeakPolarHBondContact O-CB 3.43Å; A72-S75 PolarHBondContact O-N 3.38Å; A72-S75 VanDerWaalsContact O-N 3.08Å; A72-S75 PolarHBondContact O-OG 3.35Å; L73-S75 PolarHBondContact O-N 2.83Å; L73-S75 VanDerWaalsContact O-N 3.15Å
76R69Low71.2Confident68 Ų6857.2 Ų57.226%0.25732%0.315SS..  trans-131.664.6-177.3-65.7-61.2-60.8-93.52.4111.7L73 L74 D78 L79 F83L73-R76 CarbonylContact O-C 3.18Å; L73-R76 PolarHBondContact O-N 3.24Å; L74-R76 VanDerWaalsContact C-N 3.28Å; R76-D78 VanDerWaalsContact CA-OD1 3.25Å; R76-D78 WeakPolarHBondContact CA-OD1 3.46Å; R76-D78 IonicContact CZ-OD2 2.71Å; R76-D78 IonicContact NE-OD1 2.96Å; R76-D78 PolarHBondContact NE-OD1 3.14Å; R76-D78 VanDerWaalsContact NE-OD1 3.08Å; R76-D78 IonicContact NE-OD2 3.96Å; R76-D78 PolarHBondContact NE-OD2 2.99Å; R76-D78 IonicContact NH2-OD2 3.26Å; R76-D78 PolarHBondContact NH2-OD2 3.38Å; R76-D78 PolarHBondContact O-N 3.16Å; R76-D78 VanDerWaalsContact O-N 3.15Å; R76-L79 HydrophobicContact CB-CB 4.48Å; R76-L79 HydrophobicContact CB-CD1 4.06Å; R76-L79 HydrophobicContact CB-CG 4.36Å; R76-L79 HydrophobicContact CG-CD1 4.47Å; R76-L79 PolarHBondContact O-N 3.37Å; R76-F83 HydrophobicContact CB-CE2 4.45Å
77P70Confident73Confident112 Ų11249 Ų4973%0.72728%0.28SS*.G310 helixtrans-61.2-23.4-178.826.9-35.2000112.9L79 G80P77-L79 PolarHBondContact O-N 2.89Å; P77-G80 PolarHBondContact O-N 2.59Å
78D66.4Low74.7Confident83 Ų8346.2 Ų46.244%0.44427%0.265SS..G310 helixtrans-57.3-28.8173.754.6-51.6000113R76R76-D78 VanDerWaalsContact CA-OD1 3.25Å; R76-D78 WeakPolarHBondContact CA-OD1 3.46Å; R76-D78 IonicContact CZ-OD2 2.71Å; R76-D78 IonicContact NE-OD1 2.96Å; R76-D78 PolarHBondContact NE-OD1 3.14Å; R76-D78 VanDerWaalsContact NE-OD1 3.08Å; R76-D78 IonicContact NE-OD2 3.96Å; R76-D78 PolarHBondContact NE-OD2 2.99Å; R76-D78 IonicContact NH2-OD2 3.26Å; R76-D78 PolarHBondContact NH2-OD2 3.38Å; R76-D78 PolarHBondContact O-N 3.16Å; R76-D78 VanDerWaalsContact O-N 3.15Å
79L69.5Low76.5Confident0 Ų038.1 Ų38.10%023%0.227CC..G310 helixtrans-100.111.5-172.9-62.8178.8000113.7R76 P77 V81 T82 F83R76-L79 HydrophobicContact CB-CB 4.48Å; R76-L79 HydrophobicContact CB-CD1 4.06Å; R76-L79 HydrophobicContact CB-CG 4.36Å; R76-L79 HydrophobicContact CG-CD1 4.47Å; R76-L79 PolarHBondContact O-N 3.37Å; P77-L79 PolarHBondContact O-N 2.89Å; L79-V81 PolarHBondContact O-N 3.15Å; L79-T82 VanDerWaalsContact O-CB 3.31Å; L79-T82 WeakPolarHBondContact O-CB 3.4Å; L79-T82 PolarHBondContact O-N 2.98Å; L79-T82 VanDerWaalsContact O-N 3.16Å; L79-F83 HydrophobicContact CB-CD2 3.68Å; L79-F83 HydrophobicContact CB-CE1 4.46Å; L79-F83 HydrophobicContact CB-CE2 3.17Å; L79-F83 HydrophobicContact CB-CZ 3.6Å; L79-F83 HydrophobicContact CD1-CE1 4.46Å; L79-F83 HydrophobicContact CD1-CE2 3.98Å; L79-F83 HydrophobicContact CD1-CZ 3.57Å; L79-F83 HydrophobicContact CG-CE2 4.2Å; L79-F83 HydrophobicContact CG-CZ 4.25Å; L79-F83 WeakPolarHBondContact O-CD2 3.44Å; L79-F83 WeakPolarHBondContact O-CG 3.5Å; L79-F83 PolarHBondContact O-N 3.39Å
80G76.1Confident78.2Confident29 Ų2941 Ų4130%0.29923%0.232SC..Hα-helixtrans-56.2-46-173.400000114.4P77 T84P77-G80 PolarHBondContact O-N 2.59Å; G80-T84 PolarHBondContact O-N 3.08Å; G80-T84 PolarHBondContact O-OG1 3.39Å
81V77Confident79.7Confident90 Ų9040.4 Ų40.455%0.54523%0.229SC..Hα-helixtrans-68.7-43.7176.7177.20000110.7T10 L79 F83 T84 K85T10-V81 HydrophobicContact CG2-CG1 4.29Å; L79-V81 PolarHBondContact O-N 3.15Å; V81-F83 VanDerWaalsContact C-N 3.3Å; V81-F83 PolarHBondContact O-N 3.34Å; V81-T84 WeakPolarHBondContact O-CB 3.33Å; V81-T84 PolarHBondContact O-N 3.07Å; V81-T84 VanDerWaalsContact O-N 3.1Å; V81-K85 PolarHBondContact O-N 2.87Å
82T80.5Confident81.3Confident3 Ų340.2 Ų40.22%0.01823%0.232CC..Hα-helixtrans-51.7-49.6175.3-60.30000111.4L79 T84 K85 L86 G161 D162 L165L79-T82 VanDerWaalsContact O-CB 3.31Å; L79-T82 WeakPolarHBondContact O-CB 3.4Å; L79-T82 PolarHBondContact O-N 2.98Å; L79-T82 VanDerWaalsContact O-N 3.16Å; T82-T84 PolarHBondContact O-N 3.18Å; T82-K85 WeakPolarHBondContact O-CB 3.4Å; T82-K85 PolarHBondContact O-N 3.38Å; T82-L86 WeakPolarHBondContact O-CG 3.42Å; T82-L86 PolarHBondContact O-N 3Å; T82-L86 VanDerWaalsContact O-N 3.16Å; T82-G161 WeakPolarHBondContact OG1-CA 3.32Å; T82-D162 VanDerWaalsContact CG2-CA 3.47Å; T82-D162 HydrophobicContact CG2-CB 3.75Å; T82-D162 PolarHBondContact OG1-N 3.01Å; T82-L165 HydrophobicContact CG2-CB 4.33Å; T82-L165 HydrophobicContact CG2-CD2 3.64Å
83F84.1Confident82.9Confident4 Ų442.7 Ų42.72%0.01824%0.238CC..Hα-helixtrans-63.8-41.5179.2-67.1-50.5000112.5V62 L73 R76 L79 V81 K85 L86 H87 L149 A152V62-F83 HydrophobicContact CG1-CB 4.1Å; L73-F83 HydrophobicContact CB-CD2 4.01Å; L73-F83 HydrophobicContact CB-CE2 3.9Å; L73-F83 HydrophobicContact CD1-CB 4.28Å; L73-F83 HydrophobicContact CD1-CD1 4.41Å; L73-F83 HydrophobicContact CD1-CD2 4.03Å; L73-F83 HydrophobicContact CD1-CE2 4.48Å; L73-F83 HydrophobicContact CD1-CG 4Å; L73-F83 HydrophobicContact CD2-CD1 3.76Å; L73-F83 HydrophobicContact CD2-CD2 3.71Å; L73-F83 HydrophobicContact CD2-CE1 3.44Å; L73-F83 VanDerWaalsContact CD2-CE1 3.44Å; L73-F83 HydrophobicContact CD2-CE2 3.33Å; L73-F83 HydrophobicContact CD2-CG 3.92Å; L73-F83 HydrophobicContact CD2-CZ 3.23Å; L73-F83 HydrophobicContact CG-CD2 4.09Å; L73-F83 HydrophobicContact CG-CE2 4.05Å; L73-F83 HydrophobicContact CG-CG 4.42Å; L73-F83 HydrophobicContact CG-CZ 4.39Å; R76-F83 HydrophobicContact CB-CE2 4.45Å; L79-F83 HydrophobicContact CB-CD2 3.68Å; L79-F83 HydrophobicContact CB-CE1 4.46Å; L79-F83 HydrophobicContact CB-CE2 3.17Å; L79-F83 HydrophobicContact CB-CZ 3.6Å; L79-F83 HydrophobicContact CD1-CE1 4.46Å; L79-F83 HydrophobicContact CD1-CE2 3.98Å; L79-F83 HydrophobicContact CD1-CZ 3.57Å; L79-F83 HydrophobicContact CG-CE2 4.2Å; L79-F83 HydrophobicContact CG-CZ 4.25Å; L79-F83 WeakPolarHBondContact O-CD2 3.44Å; L79-F83 WeakPolarHBondContact O-CG 3.5Å; L79-F83 PolarHBondContact O-N 3.39Å; V81-F83 VanDerWaalsContact C-N 3.3Å; V81-F83 PolarHBondContact O-N 3.34Å; F83-K85 PolarHBondContact O-N 2.83Å; F83-L86 HydrophobicContact CD1-CD1 4.03Å; F83-L86 WeakPolarHBondContact O-CB 3.29Å; F83-L86 PolarHBondContact O-N 3.29Å; F83-L86 VanDerWaalsContact O-N 3.11Å; F83-H87 PolarHBondContact O-CD2 3.48Å; F83-H87 VanDerWaalsContact O-CD2 3.29Å; F83-L149 HydrophobicContact CD1-CD1 3.98Å; F83-L149 HydrophobicContact CE1-CD1 4.11Å; F83-A152 HydrophobicContact CE1-CB 3.47Å; F83-A152 VanDerWaalsContact CE1-CB 3.47Å; F83-A152 HydrophobicContact CZ-CB 4.01Å
84T89.1Confident84.6Confident10 Ų1042.7 Ų42.76%0.06124%0.237CC..Hα-helixtrans-55.7-43.4175.7-49.20000110.8L8 T39 V60 V62 G80 V81 T82 L86 H87L8-T84 HydrophobicContact CD1-CG2 3.56Å; L8-T84 HydrophobicContact CD2-CG2 4.06Å; L8-T84 HydrophobicContact CG-CG2 4.48Å; T39-T84 HydrophobicContact CG2-CG2 3.61Å; V60-T84 HydrophobicContact CB-CG2 4.14Å; V60-T84 HydrophobicContact CG1-CG2 3.78Å; V62-T84 HydrophobicContact CG2-CG2 4.28Å; V62-T84 WeakPolarHBondContact CG2-OG1 3.3Å; G80-T84 PolarHBondContact O-N 3.08Å; G80-T84 PolarHBondContact O-OG1 3.39Å; V81-T84 WeakPolarHBondContact O-CB 3.33Å; V81-T84 PolarHBondContact O-N 3.07Å; V81-T84 VanDerWaalsContact O-N 3.1Å; T82-T84 PolarHBondContact O-N 3.18Å; T84-L86 PolarHBondContact O-N 3.04Å; T84-H87 WeakPolarHBondContact O-CB 3.49Å; T84-H87 PolarHBondContact O-N 3.4Å
85K94.3Very high86.2Confident2 Ų240.1 Ų40.11%0.00923%0.226CC..Hα-helixtrans-62.9-39.5177.6-179.4159.4170.1174.50112.5L8 V81 T82 F83 H87 C88 F99 D101 S133 D162L8-K85 HydrophobicContact CD2-CB 3.94Å; V81-K85 PolarHBondContact O-N 2.87Å; T82-K85 WeakPolarHBondContact O-CB 3.4Å; T82-K85 PolarHBondContact O-N 3.38Å; F83-K85 PolarHBondContact O-N 2.83Å; K85-H87 PolarHBondContact O-N 2.7Å; K85-H87 VanDerWaalsContact O-N 3.09Å; K85-C88 WeakPolarHBondContact O-CB 3.31Å; K85-C88 PolarHBondContact O-N 2.82Å; K85-C88 PolarHBondContact O-SG 3.38Å; K85-F99 HydrophobicContact CD-CD1 4.45Å; K85-F99 HydrophobicContact CD-CE1 3.73Å; K85-F99 HydrophobicContact CD-CE2 4.46Å; K85-F99 HydrophobicContact CD-CZ 3.72Å; K85-F99 HydrophobicContact CG-CE1 4.06Å; K85-F99 HydrophobicContact CG-CE2 3.89Å; K85-F99 HydrophobicContact CG-CZ 3.61Å; K85-D101 VanDerWaalsContact NZ-CG 3.26Å; K85-D101 IonicContact NZ-OD1 2.74Å; K85-D101 PolarHBondContact NZ-OD1 3.5Å; K85-D101 IonicContact NZ-OD2 3.22Å; K85-D101 PolarHBondContact NZ-OD2 3.31Å; K85-S133 PolarHBondContact NZ-O 3.09Å; K85-D162 HydrophobicContact CD-CB 4.16Å; K85-D162 WeakPolarHBondContact CD-OD2 3.29Å; K85-D162 WeakPolarHBondContact CE-OD2 3.34Å; K85-D162 IonicContact NZ-OD1 3.39Å; K85-D162 IonicContact NZ-OD2 2.71Å; K85-D162 PolarHBondContact NZ-OD2 3.46Å
86L94.5Very high87.7Confident0 Ų037 Ų370%020%0.201CC..Hα-helixtrans-60.8-21.5178.3-58.8-175.9000113.9T82 F83 T84 C88 W89 Y145 L148 L165 L166T82-L86 WeakPolarHBondContact O-CG 3.42Å; T82-L86 PolarHBondContact O-N 3Å; T82-L86 VanDerWaalsContact O-N 3.16Å; F83-L86 HydrophobicContact CD1-CD1 4.03Å; F83-L86 WeakPolarHBondContact O-CB 3.29Å; F83-L86 PolarHBondContact O-N 3.29Å; F83-L86 VanDerWaalsContact O-N 3.11Å; T84-L86 PolarHBondContact O-N 3.04Å; L86-C88 PolarHBondContact O-N 3.48Å; L86-W89 HydrophobicContact CD2-CE3 4.31Å; L86-W89 HydrophobicContact CD2-CZ3 3.9Å; L86-W89 PolarHBondContact O-N 3.43Å; L86-W89 VanDerWaalsContact O-N 3.08Å; L86-Y145 HydrophobicContact CB-CD2 4.36Å; L86-Y145 HydrophobicContact CB-CE2 4.28Å; L86-Y145 WeakPolarHBondContact O-CD2 3.48Å; L86-L148 HydrophobicContact CD1-CB 4.25Å; L86-L148 HydrophobicContact CD2-CD1 4.36Å; L86-L165 HydrophobicContact CD1-CD2 3.82Å; L86-L165 HydrophobicContact CD2-CD2 4.36Å; L86-L166 HydrophobicContact CD2-CD2 3.95Å
87H94.5Very high89.1Confident13 Ų1333.8 Ų33.86%0.0619%0.189CC..G310 helixtrans-61.5-13.3174.8-79.6-119.1000113L37 V60 F83 T84 K85 W89 R90 Y145L37-H87 HydrophobicContact CD1-CB 4.48Å; V60-H87 HydrophobicContact CG1-CB 3.93Å; V60-H87 VanDerWaalsContact CG1-CG 3.49Å; V60-H87 HydrophobicContact CG2-CB 3.87Å; F83-H87 PolarHBondContact O-CD2 3.48Å; F83-H87 VanDerWaalsContact O-CD2 3.29Å; T84-H87 WeakPolarHBondContact O-CB 3.49Å; T84-H87 PolarHBondContact O-N 3.4Å; K85-H87 PolarHBondContact O-N 2.7Å; K85-H87 VanDerWaalsContact O-N 3.09Å; H87-W89 PolarHBondContact O-N 3.01Å; H87-R90 PolarHBondContact CE1-NH1 3.41Å; H87-R90 PolarHBondContact ND1-NH1 3.17Å; H87-R90 WeakPolarHBondContact O-CB 3.34Å; H87-R90 PolarHBondContact O-N 3.22Å; H87-Y145 PolarHBondContact NE2-OH 2.9Å
88C97.3Very high90.5Very high0 Ų028.4 Ų28.40%015%0.154CC..G310 helixtrans-57.6-34171.271.90000112.2V6 L37 K85 L86 R90 L91 F99 F138V6-C88 HydrophobicContact CG1-CB 4.09Å; L37-C88 HydrophobicContact CD1-CB 3.96Å; K85-C88 WeakPolarHBondContact O-CB 3.31Å; K85-C88 PolarHBondContact O-N 2.82Å; K85-C88 PolarHBondContact O-SG 3.38Å; L86-C88 PolarHBondContact O-N 3.48Å; C88-R90 PolarHBondContact O-N 3.35Å; C88-L91 WeakPolarHBondContact O-CB 3.36Å; C88-L91 WeakPolarHBondContact O-CG 3.48Å; C88-L91 PolarHBondContact O-N 3.19Å; C88-F99 HydrophobicContact CB-CD2 3.74Å; C88-F99 HydrophobicContact CB-CE2 4.11Å; C88-F138 HydrophobicContact CB-CE1 4.46Å; C88-F138 HydrophobicContact CB-CE2 4.17Å; C88-F138 HydrophobicContact CB-CZ 3.7Å; C88-F138 WeakPolarHBondContact O-CE2 3.17Å
89W97.7Very high92.1Very high0 Ų024.5 Ų24.50%013%0.133CC..G310 helixtrans-66.4-16.5174.4-85.1-87.1000113.6L86 H87 L91 E118 F136 F138 P140 S141 T144 L148 L166 F170L86-W89 HydrophobicContact CD2-CE3 4.31Å; L86-W89 HydrophobicContact CD2-CZ3 3.9Å; L86-W89 PolarHBondContact O-N 3.43Å; L86-W89 VanDerWaalsContact O-N 3.08Å; H87-W89 PolarHBondContact O-N 3.01Å; W89-L91 VanDerWaalsContact C-N 3.28Å; W89-L91 PolarHBondContact O-N 3.45Å; W89-E118 PolarHBondContact NE1-OE2 3.42Å; W89-F136 HydrophobicContact CH2-CD2 4.4Å; W89-F136 AromaticContact CH2-CE2 3.46Å; W89-F136 HydrophobicContact CH2-CE2 3.46Å; W89-F136 VanDerWaalsContact CH2-CE2 3.46Å; W89-F136 AromaticContact CH2-CZ 3.76Å; W89-F136 HydrophobicContact CH2-CZ 3.76Å; W89-F136 AromaticContact CZ2-CE2 3.93Å; W89-F136 HydrophobicContact CZ2-CE2 3.93Å; W89-F136 HydrophobicContact CZ3-CE2 4.1Å; W89-F136 HydrophobicContact CZ3-CZ 4.07Å; W89-F138 AromaticContact CD1-CD2 3.76Å; W89-F138 AromaticContact CD2-CD2 3.97Å; W89-F138 HydrophobicContact CD2-CD2 3.97Å; W89-F138 HydrophobicContact CD2-CE2 4.39Å; W89-F138 AromaticContact CE2-CD2 3.72Å; W89-F138 AromaticContact CG-CD2 4Å; W89-F138 HydrophobicContact CG-CD2 4Å; W89-F138 HydrophobicContact CG-CE2 4.28Å; W89-F138 HydrophobicContact CZ2-CB 3.87Å; W89-F138 HydrophobicContact CZ2-CD2 4.28Å; W89-F138 HydrophobicContact CZ2-CG 4.25Å; W89-F138 AromaticContact NE1-CD2 3.57Å; W89-P140 CarbonylContact O-C 3.59Å; W89-P140 WeakPolarHBondContact O-CA 3.49Å; W89-S141 CarbonylContact O-C 3.37Å; W89-S141 PolarHBondContact O-N 3.17Å; W89-T144 HydrophobicContact CG-CG2 4.31Å; W89-L148 HydrophobicContact CD2-CD1 3.67Å; W89-L148 HydrophobicContact CE3-CD1 3.69Å; W89-L148 HydrophobicContact CG-CD1 4.28Å; W89-L148 HydrophobicContact CH2-CD1 4.13Å; W89-L148 HydrophobicContact CZ2-CD1 4.09Å; W89-L148 HydrophobicContact CZ3-CD1 3.93Å; W89-L166 HydrophobicContact CH2-CD1 4.33Å; W89-L166 HydrophobicContact CH2-CD2 3.58Å; W89-L166 HydrophobicContact CZ3-CD2 3.94Å; W89-F170 HydrophobicContact CH2-CE2 4.36Å; W89-F170 AromaticContact CZ2-CE2 3.96Å; W89-F170 HydrophobicContact CZ2-CE2 3.96Å; W89-F170 HydrophobicContact CZ2-CZ 4.05Å
90R96.4Very high93.4Very high106 Ų10624.5 Ų24.540%0.413%0.133SC..G310 helixtrans-81.5-4.6176.6-59.8177.862.7178-0.7113.5H87 C88 T92 L142 Y145H87-R90 PolarHBondContact CE1-NH1 3.41Å; H87-R90 PolarHBondContact ND1-NH1 3.17Å; H87-R90 WeakPolarHBondContact O-CB 3.34Å; H87-R90 PolarHBondContact O-N 3.22Å; C88-R90 PolarHBondContact O-N 3.35Å; R90-T92 PolarHBondContact O-N 2.96Å; R90-L142 HydrophobicContact CB-CD2 4.2Å; R90-L142 HydrophobicContact CG-CD2 4.05Å; R90-Y145 HydrophobicContact CG-CD1 3.81Å; R90-Y145 HydrophobicContact CG-CD2 3.77Å; R90-Y145 HydrophobicContact CG-CE1 4.03Å; R90-Y145 HydrophobicContact CG-CE2 3.99Å; R90-Y145 HydrophobicContact CG-CG 3.67Å
91L97.2Very high94.5Very high3 Ų324.5 Ų24.52%0.01613%0.127CC..  trans-78.353.8-178.6-58.2173.3000112.1V6 V35 L37 K58 C88 W89 Q93 Y94 P140V6-L91 HydrophobicContact CB-CD1 4.44Å; V6-L91 HydrophobicContact CG1-CD1 3.75Å; V6-L91 HydrophobicContact CG2-CD1 3.74Å; V35-L91 HydrophobicContact CG1-CD1 4.14Å; L37-L91 HydrophobicContact CD2-CD1 4.13Å; L37-L91 HydrophobicContact CD2-CD2 4.14Å; L37-L91 HydrophobicContact CD2-CG 4.46Å; K58-L91 HydrophobicContact CB-CD2 4.26Å; K58-L91 HydrophobicContact CG-CD2 4.11Å; C88-L91 WeakPolarHBondContact O-CB 3.36Å; C88-L91 WeakPolarHBondContact O-CG 3.48Å; C88-L91 PolarHBondContact O-N 3.19Å; W89-L91 VanDerWaalsContact C-N 3.28Å; W89-L91 PolarHBondContact O-N 3.45Å; L91-Q93 PolarHBondContact O-N 2.98Å; L91-Q93 PolarHBondContact O-OE1 3.3Å; L91-Y94 HydrophobicContact CB-CD2 3.78Å; L91-Y94 HydrophobicContact CB-CE2 4.15Å; L91-Y94 HydrophobicContact CD1-CE2 4.48Å; L91-Y94 WeakPolarHBondContact O-CD2 3.49Å; L91-Y94 PolarHBondContact O-N 3.25Å; L91-P140 VanDerWaalsContact C-CB 3.48Å; L91-P140 HydrophobicContact CB-CB 4.42Å; L91-P140 HydrophobicContact CB-CG 4.48Å; L91-P140 WeakPolarHBondContact O-CB 3.3Å
92T97.3Very high95.5Very high79 Ų7920.3 Ų20.349%0.48510%0.101SC..THydrogen-bonded Turntrans-67.3-2.4-171.857.10000114.9R90 Y94 L142R90-T92 PolarHBondContact O-N 2.96Å; T92-Y94 PolarHBondContact O-N 2.95Å; T92-L142 HydrophobicContact CG2-CG 3.97Å
93Q97.2Very high96.2Very high86 Ų8620.6 Ų20.640%0.40210%0.103SC..THydrogen-bonded Turntrans-70.4-14.1166.269.3-82.310.700113.2H56 L91H56-Q93 PolarHBondContact CE1-NE2 3.34Å; H56-Q93 PolarHBondContact ND1-NE2 2.88Å; L91-Q93 PolarHBondContact O-N 2.98Å; L91-Q93 PolarHBondContact O-OE1 3.3Å
94Y98.2Very high96.9Very high10 Ų1020.4 Ų20.44%0.03910%0.102CC..EExtended strand (participates in β ladder)trans-107.7141.8175.9-51.5-67.6000111.7C2 A4 Q33 V35 H56 L91 T92C2-Y94 HydrophobicContact CB-CD1 4.05Å; C2-Y94 HydrophobicContact CB-CE1 4.38Å; C2-Y94 CarbonylContact O-C 3.57Å; C2-Y94 WeakPolarHBondContact O-CA 3.46Å; C2-Y94 WeakPolarHBondContact O-CB 3.37Å; A4-Y94 HydrophobicContact CB-CD1 3.68Å; A4-Y94 HydrophobicContact CB-CD2 3.93Å; A4-Y94 HydrophobicContact CB-CE1 3.76Å; A4-Y94 HydrophobicContact CB-CE2 4Å; A4-Y94 HydrophobicContact CB-CG 3.79Å; Q33-Y94 HydrophobicContact CB-CE1 4.19Å; Q33-Y94 HydrophobicContact CG-CE1 4.41Å; Q33-Y94 PolarHBondContact OE1-OH 3.45Å; Q33-Y94 VanDerWaalsContact OE1-OH 3.04Å; V35-Y94 HydrophobicContact CG2-CE2 3.79Å; V35-Y94 VanDerWaalsContact CG2-OH 3.28Å; V35-Y94 WeakPolarHBondContact CG2-OH 3.47Å; H56-Y94 PolarHBondContact ND1-OH 2.91Å; L91-Y94 HydrophobicContact CB-CD2 3.78Å; L91-Y94 HydrophobicContact CB-CE2 4.15Å; L91-Y94 HydrophobicContact CD1-CE2 4.48Å; L91-Y94 WeakPolarHBondContact O-CD2 3.49Å; L91-Y94 PolarHBondContact O-N 3.25Å; T92-Y94 PolarHBondContact O-N 2.95Å
95T97.8Very high97.3Very high58 Ų5819.9 Ų19.936%0.35610%0.099SC..EExtended strand (participates in β ladder)trans-80.3-29.3178330000113.8M1 C2M1-T95 HydrophobicContact CB-CG2 3.32Å; M1-T95 HydrophobicContact CE-CG2 4.02Å; M1-T95 HydrophobicContact CG-CG2 3.95Å; M1-T95 HydrophobicContact SD-CG2 3.43Å; M1-T95 WeakPolarHBondContact SD-CG2 3.36Å; C2-T95 PolarHBondContact O-N 3.06Å; C2-T95 PolarHBondContact O-OG1 3.31Å
96K98.3Very high97.5Very high21 Ų2119.9 Ų19.99%0.09110%0.099CC..EExtended strand (participates in β ladder)trans-155143.7-179-172.2176.4-67.3-172.90107.7E3 A4 F114 R116 E117 V137E3-K96 WeakPolarHBondContact CA-O 3.32Å; E3-K96 HydrophobicContact CG-CB 4.34Å; A4-K96 PolarHBondContact N-O 3.13Å; K96-F114 HydrophobicContact CB-CD1 4.36Å; K96-F114 HydrophobicContact CD-CB 4.38Å; K96-F114 HydrophobicContact CD-CD1 4.23Å; K96-F114 WeakPolarHBondContact CD-O 3.44Å; K96-F114 HydrophobicContact CG-CD1 4.13Å; K96-F114 PolarHBondContact NZ-O 3.34Å; K96-R116 WeakPolarHBondContact CD-O 3.41Å; K96-R116 VanDerWaalsContact CE-O 3.25Å; K96-R116 WeakPolarHBondContact CE-O 3.44Å; K96-R116 PolarHBondContact NZ-O 3.44Å; K96-E117 IonicContact NZ-OE1 3.99Å; K96-E117 PolarHBondContact NZ-OE1 2.71Å; K96-V137 HydrophobicContact CD-CG1 3.98Å; K96-V137 HydrophobicContact CG-CG1 4Å
97A98.7Very high97.6Very high0 Ų022 Ų220%011%0.11CC..EExtended strand (participates in β ladder)trans-139.4153.9178.800000111.3A4 V6 V137 F138 P140A4-A97 CarbonylContact O-C 3.46Å; A4-A97 WeakPolarHBondContact O-CA 3.3Å; A4-A97 WeakPolarHBondContact O-CB 3.43Å; V6-A97 HydrophobicContact CG2-CB 3.94Å; A97-V137 WeakPolarHBondContact O-CA 3.45Å; A97-F138 HydrophobicContact CB-CD1 4.01Å; A97-F138 HydrophobicContact CB-CE1 3.32Å; A97-F138 HydrophobicContact CB-CE2 4.13Å; A97-F138 HydrophobicContact CB-CZ 3.4Å; A97-F138 VanDerWaalsContact CB-CZ 3.4Å; A97-F138 PolarHBondContact N-O 3.36Å; A97-F138 VanDerWaalsContact O-CD1 3.3Å; A97-F138 WeakPolarHBondContact O-CD1 3.49Å; A97-F138 PolarHBondContact O-N 3.33Å; A97-P140 HydrophobicContact CB-CG 4.14Å
98V98.8Very high97.8Very high0 Ų027 Ų270%013%0.128CC..EExtended strand (participates in β ladder)trans-111.4113.1169.3-178.80000106.9A4 F5 V6 M100 L113 F114 V135 F136 V137A4-V98 PolarHBondContact O-N 3.23Å; F5-V98 CarbonylContact C-O 3.48Å; F5-V98 WeakPolarHBondContact CA-O 3.32Å; F5-V98 HydrophobicContact CD1-CB 3.64Å; F5-V98 HydrophobicContact CD1-CG1 3.94Å; F5-V98 HydrophobicContact CD1-CG2 4.37Å; F5-V98 HydrophobicContact CE1-CB 3.74Å; F5-V98 HydrophobicContact CE1-CG1 3.88Å; F5-V98 HydrophobicContact CE1-CG2 4.04Å; V6-V98 PolarHBondContact N-O 2.84Å; V98-M100 HydrophobicContact CG1-CG 3.98Å; V98-M100 HydrophobicContact CG1-SD 4.42Å; V98-L113 HydrophobicContact CG1-CD1 3.84Å; V98-L113 HydrophobicContact CG2-CB 3.87Å; V98-L113 HydrophobicContact CG2-CD1 4.4Å; V98-F114 HydrophobicContact CB-CZ 4.27Å; V98-F114 HydrophobicContact CG2-CD1 4.29Å; V98-F114 HydrophobicContact CG2-CD2 4.38Å; V98-F114 HydrophobicContact CG2-CE1 3.84Å; V98-F114 HydrophobicContact CG2-CE2 3.93Å; V98-F114 HydrophobicContact CG2-CZ 3.65Å; V98-V135 HydrophobicContact CG1-CG1 4.21Å; V98-F136 CarbonylContact C-O 3.51Å; V98-F136 WeakPolarHBondContact CA-O 3.48Å; V98-V137 HydrophobicContact CG2-CG2 4.06Å
99F98.8Very high97.8Very high0 Ų029.8 Ų29.80%014%0.143CC..EExtended strand (participates in β ladder)trans-80.2137.4171-168.6-79.6000109.3V6 L8 K85 C88 D101 V135 F136 F138V6-F99 HydrophobicContact CB-CD2 4.28Å; V6-F99 HydrophobicContact CG1-CD2 4.1Å; V6-F99 HydrophobicContact CG1-CE2 4.31Å; V6-F99 CarbonylContact O-C 3.49Å; V6-F99 WeakPolarHBondContact O-CA 3.02Å; L8-F99 HydrophobicContact CB-CE2 4.4Å; L8-F99 HydrophobicContact CB-CZ 3.93Å; K85-F99 HydrophobicContact CD-CD1 4.45Å; K85-F99 HydrophobicContact CD-CE1 3.73Å; K85-F99 HydrophobicContact CD-CE2 4.46Å; K85-F99 HydrophobicContact CD-CZ 3.72Å; K85-F99 HydrophobicContact CG-CE1 4.06Å; K85-F99 HydrophobicContact CG-CE2 3.89Å; K85-F99 HydrophobicContact CG-CZ 3.61Å; C88-F99 HydrophobicContact CB-CD2 3.74Å; C88-F99 HydrophobicContact CB-CE2 4.11Å; F99-D101 VanDerWaalsContact CE1-OD1 3.27Å; F99-D101 WeakPolarHBondContact CE1-OD1 3.38Å; F99-V135 VanDerWaalsContact O-CA 3.32Å; F99-V135 WeakPolarHBondContact O-CA 3.34Å; F99-F136 HydrophobicContact CB-CD1 4.01Å; F99-F136 HydrophobicContact CB-CD2 4.01Å; F99-F136 HydrophobicContact CB-CE1 3.56Å; F99-F136 HydrophobicContact CB-CE2 3.56Å; F99-F136 HydrophobicContact CB-CG 4.23Å; F99-F136 HydrophobicContact CB-CZ 3.32Å; F99-F136 HydrophobicContact CD1-CD1 4.35Å; F99-F136 AromaticContact CD1-CE1 3.62Å; F99-F136 HydrophobicContact CD1-CE1 3.62Å; F99-F136 AromaticContact CD1-CZ 3.99Å; F99-F136 HydrophobicContact CD1-CZ 3.99Å; F99-F136 HydrophobicContact CD2-CZ 4.27Å; F99-F136 HydrophobicContact CG-CD1 4.5Å; F99-F136 AromaticContact CG-CE1 3.69Å; F99-F136 HydrophobicContact CG-CE1 3.69Å; F99-F136 HydrophobicContact CG-CE2 4.29Å; F99-F136 AromaticContact CG-CZ 3.57Å; F99-F136 HydrophobicContact CG-CZ 3.57Å; F99-F136 PolarHBondContact N-O 3.45Å; F99-F136 PolarHBondContact O-N 3.2Å; F99-F138 HydrophobicContact CB-CD1 4.16Å; F99-F138 HydrophobicContact CB-CE1 3.85Å
100M98.7Very high97.9Very high0 Ų029.8 Ų29.80%014%0.143CC..EExtended strand (participates in β ladder)trans-139.8128.3173.8-59-178.666.400109.9F5 V6 T7 W21 V98 V106 I110 G134 V135 V209F5-M100 HydrophobicContact CD1-SD 3.74Å; F5-M100 HydrophobicContact CE1-SD 4.07Å; V6-M100 PolarHBondContact O-N 3.24Å; T7-M100 WeakPolarHBondContact CA-O 3.43Å; T7-M100 VanDerWaalsContact CB-O 3.26Å; T7-M100 WeakPolarHBondContact CB-O 3.38Å; T7-M100 PolarHBondContact OG1-O 3.37Å; W21-M100 HydrophobicContact CZ2-CB 3.79Å; W21-M100 HydrophobicContact CZ2-CG 4.15Å; W21-M100 HydrophobicContact CZ2-SD 3.92Å; V98-M100 HydrophobicContact CG1-CG 3.98Å; V98-M100 HydrophobicContact CG1-SD 4.42Å; M100-V106 HydrophobicContact CE-CG2 3.52Å; M100-V106 HydrophobicContact SD-CG2 4.25Å; M100-I110 HydrophobicContact CE-CD1 3.93Å; M100-I110 HydrophobicContact SD-CD1 3.7Å; M100-G134 CarbonylContact C-O 3.42Å; M100-G134 VanDerWaalsContact CA-O 3.26Å; M100-G134 WeakPolarHBondContact CA-O 3.47Å; M100-V135 HydrophobicContact CE-CG2 4.21Å; M100-V135 HydrophobicContact CG-CG1 4.18Å; M100-V135 HydrophobicContact CG-CG2 4.23Å; M100-V209 HydrophobicContact CE-CB 4.46Å; M100-V209 HydrophobicContact CE-CG1 3.59Å; M100-V209 HydrophobicContact CE-CG2 3.98Å
101D97.9Very high98Very high30 Ų3025.6 Ų25.616%0.1613%0.129CC..  trans-62.5149.2173.9-76.1-34.2000110.8K85 F99 D103 T104 G134K85-D101 VanDerWaalsContact NZ-CG 3.26Å; K85-D101 IonicContact NZ-OD1 2.74Å; K85-D101 PolarHBondContact NZ-OD1 3.5Å; K85-D101 IonicContact NZ-OD2 3.22Å; K85-D101 PolarHBondContact NZ-OD2 3.31Å; F99-D101 VanDerWaalsContact CE1-OD1 3.27Å; F99-D101 WeakPolarHBondContact CE1-OD1 3.38Å; D101-D103 WeakPolarHBondContact CB-OD1 3.42Å; D101-D103 PolarHBondContact O-N 3.14Å; D101-T104 HydrophobicContact CB-CG2 4.45Å; D101-T104 WeakPolarHBondContact O-CB 3.4Å; D101-T104 WeakPolarHBondContact O-CG2 3.38Å; D101-T104 PolarHBondContact O-N 3.39Å; D101-T104 PolarHBondContact O-OG1 2.77Å; D101-G134 PolarHBondContact N-O 3.16Å; D101-G134 VanDerWaalsContact OD2-CA 3.31Å; D101-G134 WeakPolarHBondContact OD2-CA 3.32Å
102A97.7Very high98.1Very high1 Ų127.6 Ų27.61%0.00814%0.139CC..THydrogen-bonded Turntrans-71.8-7.7-17400000113.9T7 Y14 G17 A18 T104T7-A102 WeakPolarHBondContact OG1-CA 3.13Å; T7-A102 PolarHBondContact OG1-N 2.81Å; Y14-A102 HydrophobicContact CD1-CB 4.15Å; G17-A102 CarbonylContact C-O 3.38Å; G17-A102 VanDerWaalsContact CA-O 3.25Å; G17-A102 WeakPolarHBondContact CA-O 3.34Å; A18-A102 HydrophobicContact CB-CB 4Å; A102-T104 VanDerWaalsContact C-N 3.3Å
103D95.8Very high98.1Very high9 Ų923.9 Ų23.95%0.04812%0.116CC..THydrogen-bonded Turntrans-94.620.6169.9559.6000112.2D101 H211 F212 K217 W219D101-D103 WeakPolarHBondContact CB-OD1 3.42Å; D101-D103 PolarHBondContact O-N 3.14Å; D103-H211 IonicContact OD1-CD2 2.82Å; D103-H211 PolarHBondContact OD1-CD2 2.95Å; D103-H211 IonicContact OD1-NE2 2.67Å; D103-H211 PolarHBondContact OD1-NE2 2.73Å; D103-F212 WeakPolarHBondContact O-CD2 3.26Å; D103-F212 PolarHBondContact O-N 2.96Å; D103-K217 HydrophobicContact CB-CD 4.05Å; D103-K217 IonicContact OD2-NZ 3.42Å; D103-K217 PolarHBondContact OD2-NZ 3.35Å; D103-W219 HydrophobicContact CB-CH2 3.95Å; D103-W219 HydrophobicContact CB-CZ3 4.26Å
104T97.9Very high98.2Very high0 Ų020.1 Ų20.10%010%0.099CC..EExtended strand (participates in β ladder)trans-101154.1168.266.20000111.7W21 D101 A102 V135 V209 V210 H211W21-T104 PolarHBondContact NE1-OG1 2.82Å; D101-T104 HydrophobicContact CB-CG2 4.45Å; D101-T104 WeakPolarHBondContact O-CB 3.4Å; D101-T104 WeakPolarHBondContact O-CG2 3.38Å; D101-T104 PolarHBondContact O-N 3.39Å; D101-T104 PolarHBondContact O-OG1 2.77Å; A102-T104 VanDerWaalsContact C-N 3.3Å; T104-V135 HydrophobicContact CG2-CG2 4.19Å; T104-V209 HydrophobicContact CG2-CG1 4.44Å; T104-V210 CarbonylContact C-O 3.34Å; T104-V210 WeakPolarHBondContact CA-O 3.22Å; T104-H211 HydrophobicContact CG2-CB 3.96Å
105V97.6Very high98.2Very high0 Ų027.1 Ų27.10%013%0.132CC..EExtended strand (participates in β ladder)trans-133.9135.6171.269.60000110.6L107 V209 V210 F212 L249V105-L107 HydrophobicContact CG1-CD2 4.27Å; V105-V209 WeakPolarHBondContact O-CA 3.46Å; V105-V210 HydrophobicContact CG1-CB 3.83Å; V105-V210 HydrophobicContact CG1-CG1 4.42Å; V105-V210 PolarHBondContact N-O 3.08Å; V105-V210 PolarHBondContact O-N 2.85Å; V105-F212 HydrophobicContact CB-CE2 4.13Å; V105-F212 HydrophobicContact CG1-CE2 3.55Å; V105-F212 HydrophobicContact CG1-CZ 4Å; V105-L249 HydrophobicContact CG2-CD1 3.91Å
106V98.5Very high98.2Very high1 Ų127.6 Ų27.61%0.00613%0.127CC..EExtended strand (participates in β ladder)trans-95.5121.1-177.9-175.40000110.1S24 L25 V28 M100 R108 I110 V209S24-V106 WeakPolarHBondContact CB-O 3.25Å; S24-V106 WeakPolarHBondContact OG-CB 3.16Å; S24-V106 PolarHBondContact OG-N 2.85Å; L25-V106 HydrophobicContact CD2-CB 4.41Å; L25-V106 HydrophobicContact CD2-CG1 4.33Å; L25-V106 HydrophobicContact CD2-CG2 3.85Å; L25-V106 HydrophobicContact CG-CG2 3.97Å; V28-V106 HydrophobicContact CG1-CG1 4.36Å; V28-V106 HydrophobicContact CG2-CG1 3.77Å; M100-V106 HydrophobicContact CE-CG2 3.52Å; M100-V106 HydrophobicContact SD-CG2 4.25Å; V106-R108 WeakPolarHBondContact CG1-O 3.5Å; V106-I110 HydrophobicContact CG1-CD1 4.01Å; V106-I110 HydrophobicContact CG1-CG1 3.99Å; V106-I110 HydrophobicContact CG1-CG2 4.5Å; V106-I110 HydrophobicContact CG2-CD1 3.89Å; V106-V209 HydrophobicContact CG2-CG2 4.48Å
107L97.7Very high98.1Very high44 Ų4430.8 Ų30.823%0.2314%0.142CC..  trans-98.1-22.7-178.6-54.8-177.6000112.8V105 I207 R208 V210 F242 H245V105-L107 HydrophobicContact CG1-CD2 4.27Å; L107-I207 HydrophobicContact CD1-CB 4.41Å; L107-I207 HydrophobicContact CD1-CG2 3.93Å; L107-R208 PolarHBondContact N-O 2.88Å; L107-V210 HydrophobicContact CD1-CG2 3.88Å; L107-V210 HydrophobicContact CG-CG2 4.5Å; L107-F242 HydrophobicContact CD1-CD1 3.71Å; L107-F242 HydrophobicContact CD1-CE1 3.48Å; L107-F242 VanDerWaalsContact CD1-CE1 3.48Å; L107-F242 HydrophobicContact CD2-CD1 4.43Å; L107-H245 VanDerWaalsContact CD2-CD2 3.44Å; L107-H245 WeakPolarHBondContact CD2-CD2 3.5Å
108R98.1Very high98.1Very high118 Ų11833.4 Ų33.445%0.44516%0.155SC..SBendtrans-144.2159.1-178.4-63.3-173.5177.9-179.23.3110.4V106 I110 N205 R208V106-R108 WeakPolarHBondContact CG1-O 3.5Å; R108-I110 WeakPolarHBondContact O-CG2 3.31Å; R108-I110 PolarHBondContact O-N 2.85Å; R108-N205 PolarHBondContact NH1-O 3.46Å; R108-N205 PolarHBondContact NH2-O 2.98Å; R108-R208 HydrophobicContact CB-CB 4.31Å; R108-R208 HydrophobicContact CB-CG 4.14Å; R108-R208 PolarHBondContact N-O 3.09Å
109N98.5Very high98.1Very high59 Ų5933.8 Ų33.832%0.31616%0.156SC..  trans-59.2133176.5-168.9-74.9000110.5V28 K29 D111 R208V28-N109 HydrophobicContact CB-CB 4.39Å; V28-N109 PolarHBondContact O-ND2 3.12Å; K29-N109 PolarHBondContact O-ND2 3.38Å; N109-D111 VanDerWaalsContact OD1-CB 3.29Å; N109-D111 WeakPolarHBondContact OD1-CB 3.01Å; N109-D111 PolarHBondContact OD1-N 3.3Å; N109-R208 PolarHBondContact O-NH1 3.08Å
110I98.7Very high98.1Very high0 Ų033.8 Ų33.80%016%0.156CC..  trans-126.621.8-177.353.7168.9000111.3F5 L25 M100 V106 R108 D112 L113 Y186 R208 V209F5-I110 HydrophobicContact CD1-CD1 4.46Å; F5-I110 HydrophobicContact CE1-CD1 3.58Å; F5-I110 HydrophobicContact CE1-CG1 3.81Å; F5-I110 HydrophobicContact CZ-CD1 4.03Å; F5-I110 HydrophobicContact CZ-CG1 3.71Å; L25-I110 HydrophobicContact CD2-CD1 4.26Å; L25-I110 HydrophobicContact CD2-CG1 4.31Å; M100-I110 HydrophobicContact CE-CD1 3.93Å; M100-I110 HydrophobicContact SD-CD1 3.7Å; V106-I110 HydrophobicContact CG1-CD1 4.01Å; V106-I110 HydrophobicContact CG1-CG1 3.99Å; V106-I110 HydrophobicContact CG1-CG2 4.5Å; V106-I110 HydrophobicContact CG2-CD1 3.89Å; R108-I110 WeakPolarHBondContact O-CG2 3.31Å; R108-I110 PolarHBondContact O-N 2.85Å; I110-D112 WeakPolarHBondContact CA-OD1 3.39Å; I110-D112 PolarHBondContact O-N 3.32Å; I110-D112 VanDerWaalsContact O-N 3.17Å; I110-L113 HydrophobicContact CB-CD1 4.03Å; I110-L113 HydrophobicContact CB-CG 4.25Å; I110-L113 HydrophobicContact CD1-CD1 4.11Å; I110-L113 HydrophobicContact CG1-CD1 4.47Å; I110-L113 VanDerWaalsContact O-CB 3.28Å; I110-L113 WeakPolarHBondContact O-CB 3.42Å; I110-L113 WeakPolarHBondContact O-CG 3.36Å; I110-L113 PolarHBondContact O-N 3.13Å; I110-Y186 HydrophobicContact CB-CD1 4.22Å; I110-Y186 HydrophobicContact CB-CE1 4.08Å; I110-Y186 HydrophobicContact CG2-CD1 3.67Å; I110-Y186 HydrophobicContact CG2-CE1 3.69Å; I110-R208 HydrophobicContact CG2-CB 3.77Å; I110-V209 HydrophobicContact CD1-CG2 3.88Å; I110-V209 HydrophobicContact CG2-CG2 4.04Å
111D98.6Very high98.1Very high18 Ų1833.8 Ų33.810%0.09616%0.156CC..G310 helixtrans-64.1-17.3176.2-71.80.3000111.5F5 T30 T31 R32 N109 L113 F114F5-D111 WeakPolarHBondContact CE2-OD1 3.49Å; T30-D111 WeakPolarHBondContact CB-OD1 3.4Å; T30-D111 PolarHBondContact OG1-OD1 3.1Å; T31-D111 PolarHBondContact N-OD2 3.25Å; T31-D111 PolarHBondContact OG1-OD2 3.28Å; R32-D111 IonicContact NH1-OD2 3.2Å; N109-D111 VanDerWaalsContact OD1-CB 3.29Å; N109-D111 WeakPolarHBondContact OD1-CB 3.01Å; N109-D111 PolarHBondContact OD1-N 3.3Å; D111-L113 PolarHBondContact O-N 3.13Å; D111-F114 WeakPolarHBondContact O-CD2 3.32Å; D111-F114 PolarHBondContact O-N 3.45Å
112D98.4Very high98.1Very high46 Ų4632.3 Ų32.325%0.24615%0.149CC..G310 helixtrans-68.3-13.2171.961.2-17.7000113.4I110 F114 E115 Y186 R208I110-D112 WeakPolarHBondContact CA-OD1 3.39Å; I110-D112 PolarHBondContact O-N 3.32Å; I110-D112 VanDerWaalsContact O-N 3.17Å; D112-F114 PolarHBondContact O-N 3.14Å; D112-E115 WeakPolarHBondContact O-CB 3.44Å; D112-E115 PolarHBondContact O-N 3.27Å; D112-Y186 PolarHBondContact OD1-OH 3.01Å; D112-Y186 VanDerWaalsContact OD1-OH 3.1Å; D112-Y186 PolarHBondContact OD2-OH 3.45Å; D112-R208 IonicContact OD1-NH1 2.78Å; D112-R208 PolarHBondContact OD1-NH1 3.04Å; D112-R208 IonicContact OD2-CZ 3.31Å; D112-R208 IonicContact OD2-NH1 3.32Å; D112-R208 PolarHBondContact OD2-NH1 3.06Å; D112-R208 IonicContact OD2-NH2 3.31Å; D112-R208 PolarHBondContact OD2-NH2 3.18Å
113L98.6Very high98.1Very high0 Ų034 Ų340%016%0.159CC..G310 helixtrans-62.2-25.7169.2-72.2-179.8000112.9V98 I110 D111 E115 R116 V135 V137 L182 Y186V98-L113 HydrophobicContact CG1-CD1 3.84Å; V98-L113 HydrophobicContact CG2-CB 3.87Å; V98-L113 HydrophobicContact CG2-CD1 4.4Å; I110-L113 HydrophobicContact CB-CD1 4.03Å; I110-L113 HydrophobicContact CB-CG 4.25Å; I110-L113 HydrophobicContact CD1-CD1 4.11Å; I110-L113 HydrophobicContact CG1-CD1 4.47Å; I110-L113 VanDerWaalsContact O-CB 3.28Å; I110-L113 WeakPolarHBondContact O-CB 3.42Å; I110-L113 WeakPolarHBondContact O-CG 3.36Å; I110-L113 PolarHBondContact O-N 3.13Å; D111-L113 PolarHBondContact O-N 3.13Å; L113-E115 PolarHBondContact O-N 3.32Å; L113-R116 VanDerWaalsContact O-CB 3.26Å; L113-R116 WeakPolarHBondContact O-CB 3.29Å; L113-R116 VanDerWaalsContact O-CG 3.3Å; L113-R116 WeakPolarHBondContact O-CG 3.11Å; L113-R116 PolarHBondContact O-N 3.04Å; L113-R116 VanDerWaalsContact O-N 3.07Å; L113-V135 HydrophobicContact CD1-CG1 4.36Å; L113-V137 HydrophobicContact CB-CG2 4.11Å; L113-V137 WeakPolarHBondContact O-CG2 3.1Å; L113-L182 HydrophobicContact CD2-CD1 3.83Å; L113-L182 HydrophobicContact CD2-CD2 3.7Å; L113-L182 HydrophobicContact CD2-CG 4.34Å; L113-Y186 HydrophobicContact CD1-CD1 3.84Å; L113-Y186 HydrophobicContact CD1-CE1 4.3Å; L113-Y186 HydrophobicContact CD2-CD1 3.47Å; L113-Y186 VanDerWaalsContact CD2-CD1 3.47Å; L113-Y186 HydrophobicContact CD2-CD2 4.39Å; L113-Y186 HydrophobicContact CD2-CE1 3.59Å; L113-Y186 HydrophobicContact CD2-CG 3.88Å; L113-Y186 HydrophobicContact CG-CD1 3.68Å; L113-Y186 HydrophobicContact CG-CE1 3.68Å
114F98.5Very high98.2Very high8 Ų834.6 Ų34.64%0.03516%0.163CC..G310 helixtrans-72.1-9.1178.3-67.5-83.7000113.5E3 A4 F5 R32 K96 V98 D111 D112 R116E3-F114 HydrophobicContact CB-CD1 3.64Å; E3-F114 HydrophobicContact CB-CE1 3.64Å; E3-F114 HydrophobicContact CB-CG 4.36Å; E3-F114 HydrophobicContact CB-CZ 4.36Å; E3-F114 HydrophobicContact CG-CD1 3.94Å; E3-F114 HydrophobicContact CG-CE1 4.39Å; E3-F114 WeakPolarHBondContact OE2-CB 3.48Å; A4-F114 WeakPolarHBondContact O-CZ 3.45Å; F5-F114 HydrophobicContact CD2-CE2 4.09Å; F5-F114 HydrophobicContact CD2-CZ 4.11Å; F5-F114 HydrophobicContact CE1-CE2 4.08Å; F5-F114 HydrophobicContact CE1-CZ 4.38Å; F5-F114 AromaticContact CE2-CE2 3.45Å; F5-F114 HydrophobicContact CE2-CE2 3.45Å; F5-F114 VanDerWaalsContact CE2-CE2 3.45Å; F5-F114 AromaticContact CE2-CZ 3.94Å; F5-F114 HydrophobicContact CE2-CZ 3.94Å; F5-F114 HydrophobicContact CG-CZ 4.39Å; F5-F114 HydrophobicContact CZ-CD2 4.44Å; F5-F114 AromaticContact CZ-CE2 3.44Å; F5-F114 HydrophobicContact CZ-CE2 3.44Å; F5-F114 VanDerWaalsContact CZ-CE2 3.44Å; F5-F114 HydrophobicContact CZ-CZ 4.08Å; R32-F114 HydrophobicContact CB-CE2 4.07Å; R32-F114 HydrophobicContact CB-CZ 4.08Å; R32-F114 HydrophobicContact CG-CD2 3.85Å; R32-F114 HydrophobicContact CG-CE2 3.43Å; R32-F114 VanDerWaalsContact CG-CE2 3.43Å; R32-F114 HydrophobicContact CG-CZ 3.82Å; K96-F114 HydrophobicContact CB-CD1 4.36Å; K96-F114 HydrophobicContact CD-CB 4.38Å; K96-F114 HydrophobicContact CD-CD1 4.23Å; K96-F114 WeakPolarHBondContact CD-O 3.44Å; K96-F114 HydrophobicContact CG-CD1 4.13Å; K96-F114 PolarHBondContact NZ-O 3.34Å; V98-F114 HydrophobicContact CB-CZ 4.27Å; V98-F114 HydrophobicContact CG2-CD1 4.29Å; V98-F114 HydrophobicContact CG2-CD2 4.38Å; V98-F114 HydrophobicContact CG2-CE1 3.84Å; V98-F114 HydrophobicContact CG2-CE2 3.93Å; V98-F114 HydrophobicContact CG2-CZ 3.65Å; D111-F114 WeakPolarHBondContact O-CD2 3.32Å; D111-F114 PolarHBondContact O-N 3.45Å; D112-F114 PolarHBondContact O-N 3.14Å; F114-R116 PolarHBondContact O-N 2.91Å
115E97.9Very high97.9Very high156 Ų15637.5 Ų37.573%0.72918%0.181SC*.G310 helixtrans-74-13.4169.6-59.4178.7-179.100112.5D112 L113D112-E115 WeakPolarHBondContact O-CB 3.44Å; D112-E115 PolarHBondContact O-N 3.27Å; L113-E115 PolarHBondContact O-N 3.32Å
116R98.1Very high97.6Very high69 Ų6940.5 Ų40.526%0.2621%0.213SC..SBendtrans-89158.2-176-51.6-65.7177.9164.2-5.3112.2K96 L113 F114 S120 V137 R179 L182K96-R116 WeakPolarHBondContact CD-O 3.41Å; K96-R116 VanDerWaalsContact CE-O 3.25Å; K96-R116 WeakPolarHBondContact CE-O 3.44Å; K96-R116 PolarHBondContact NZ-O 3.44Å; L113-R116 VanDerWaalsContact O-CB 3.26Å; L113-R116 WeakPolarHBondContact O-CB 3.29Å; L113-R116 VanDerWaalsContact O-CG 3.3Å; L113-R116 WeakPolarHBondContact O-CG 3.11Å; L113-R116 PolarHBondContact O-N 3.04Å; L113-R116 VanDerWaalsContact O-N 3.07Å; F114-R116 PolarHBondContact O-N 2.91Å; R116-S120 WeakPolarHBondContact CB-OG 3.43Å; R116-V137 HydrophobicContact CB-CB 4.3Å; R116-V137 HydrophobicContact CB-CG1 4.23Å; R116-V137 HydrophobicContact CB-CG2 4.01Å; R116-V137 HydrophobicContact CG-CG2 4.5Å; R116-R179 PolarHBondContact NH1-O 3.14Å; R116-R179 VanDerWaalsContact NH1-O 3.14Å; R116-L182 HydrophobicContact CB-CD2 4.43Å; R116-L182 HydrophobicContact CG-CD2 3.75Å
117E97.7Very high97.5Very high88 Ų8848.6 Ų48.641%0.41124%0.243SC..PPolyproline II helixtrans-103.7169-178.3-67.2-61.211900112.1K96 L119 S120 K139 L180K96-E117 IonicContact NZ-OE1 3.99Å; K96-E117 PolarHBondContact NZ-OE1 2.71Å; E117-L119 CarbonylContact O-C 3.57Å; E117-S120 WeakPolarHBondContact O-CB 3.5Å; E117-S120 PolarHBondContact O-N 3.02Å; E117-S120 VanDerWaalsContact O-N 3.1Å; E117-S120 PolarHBondContact O-OG 2.67Å; E117-K139 WeakPolarHBondContact OE2-CE 3.4Å; E117-K139 IonicContact OE2-NZ 2.63Å; E117-K139 PolarHBondContact OE2-NZ 2.8Å; E117-L180 HydrophobicContact CB-CD2 4.16Å
118E98.2Very high97.4Very high55 Ų5550.4 Ų50.426%0.25726%0.258SS..SBendtrans-76.8135.2175.5-179.6173.982.700110.4W89 F138 K139 F170W89-E118 PolarHBondContact NE1-OE2 3.42Å; E118-F138 HydrophobicContact CG-CB 4.44Å; E118-F138 WeakPolarHBondContact OE2-CB 3.45Å; E118-K139 HydrophobicContact CB-CB 4.45Å; E118-K139 HydrophobicContact CB-CG 4.2Å; E118-K139 PolarHBondContact OE2-N 3.26Å; E118-F170 HydrophobicContact CG-CE1 4.3Å
119L98.1Very high97.4Very high7 Ų750 Ų504%0.03727%0.265CS..SBendcis-99.3117.5-10.7-175.7-72.6000107.7E117 A121 F131 F136 V137 F138 F170E117-L119 CarbonylContact O-C 3.57Å; L119-A121 HydrophobicContact CD1-CB 3.82Å; L119-F131 HydrophobicContact CD1-CD1 4.24Å; L119-F131 HydrophobicContact CD1-CD2 4.21Å; L119-F131 HydrophobicContact CD1-CE1 3.96Å; L119-F131 HydrophobicContact CD1-CE2 3.94Å; L119-F131 HydrophobicContact CD1-CG 4.34Å; L119-F131 HydrophobicContact CD1-CZ 3.79Å; L119-F131 HydrophobicContact CG-CZ 4.39Å; L119-F136 HydrophobicContact CD1-CB 4.37Å; L119-F136 HydrophobicContact CD2-CB 3.92Å; L119-F136 HydrophobicContact CD2-CD2 3.54Å; L119-F136 HydrophobicContact CD2-CE2 4.36Å; L119-F136 HydrophobicContact CD2-CG 4Å; L119-V137 WeakPolarHBondContact CD2-O 3.19Å; L119-F138 HydrophobicContact CD2-CB 4.41Å; L119-F170 HydrophobicContact CB-CB 4.31Å; L119-F170 HydrophobicContact CB-CD1 3.76Å; L119-F170 HydrophobicContact CB-CD2 4.13Å; L119-F170 HydrophobicContact CB-CE1 4.03Å; L119-F170 HydrophobicContact CB-CE2 4.38Å; L119-F170 HydrophobicContact CB-CG 3.81Å; L119-F170 HydrophobicContact CB-CZ 4.33Å; L119-F170 HydrophobicContact CD2-CE2 4.41Å; L119-F170 HydrophobicContact CG-CB 4.44Å; L119-F170 HydrophobicContact CG-CD1 4.38Å; L119-F170 HydrophobicContact CG-CD2 3.82Å; L119-F170 HydrophobicContact CG-CE2 4.1Å; L119-F170 HydrophobicContact CG-CG 3.97Å; L119-F170 HydrophobicContact CG-CZ 4.49Å
120S98.8Very high97.4Very high0 Ų048.3 Ų48.30%026%0.257CS..EExtended strand (participates in β ladder)trans-107.5124.8174.7-56.30000111.1R116 E117 F136 V137 L180R116-S120 WeakPolarHBondContact CB-OG 3.43Å; E117-S120 WeakPolarHBondContact O-CB 3.5Å; E117-S120 PolarHBondContact O-N 3.02Å; E117-S120 VanDerWaalsContact O-N 3.1Å; E117-S120 PolarHBondContact O-OG 2.67Å; S120-F136 CarbonylContact O-C 3.48Å; S120-F136 WeakPolarHBondContact O-CA 3.37Å; S120-V137 PolarHBondContact N-O 3.1Å; S120-V137 PolarHBondContact O-N 3.03Å; S120-L180 CarbonylContact C-O 3.57Å; S120-L180 WeakPolarHBondContact CA-O 3.34Å; S120-L180 WeakPolarHBondContact CB-O 3.35Å; S120-L180 WeakPolarHBondContact OG-CA 3.38Å; S120-L180 VanDerWaalsContact OG-CD2 3.31Å; S120-L180 WeakPolarHBondContact OG-CD2 3.28Å
121A98.8Very high97.4Very high0 Ų048.3 Ų48.30%026%0.257CS..EExtended strand (participates in β ladder)trans-147.8165.7-178.100000110.7L119 F131 F136 W173 L180 L182L119-A121 HydrophobicContact CD1-CB 3.82Å; A121-F131 HydrophobicContact CB-CB 3.57Å; A121-F131 HydrophobicContact CB-CD2 3.76Å; A121-F131 HydrophobicContact CB-CG 3.79Å; A121-F136 HydrophobicContact CB-CB 3.87Å; A121-W173 WeakPolarHBondContact O-CZ2 3.41Å; A121-L180 PolarHBondContact N-O 2.97Å; A121-L180 VanDerWaalsContact N-O 3.09Å; A121-L182 PolarHBondContact O-N 2.83Å
122A98.4Very high97.4Very high0 Ų047.8 Ų47.80%025%0.254CS..EExtended strand (participates in β ladder)trans-87.3152.5175.600000110.8F131 N132 L182 N187A122-F131 CarbonylContact O-C 3.56Å; A122-F131 VanDerWaalsContact O-CA 3.29Å; A122-F131 WeakPolarHBondContact O-CA 3.3Å; A122-F131 WeakPolarHBondContact O-CB 3.49Å; A122-N132 PolarHBondContact O-N 2.8Å; A122-L182 HydrophobicContact CB-CB 4.24Å; A122-N187 HydrophobicContact CB-CB 3.65Å
123P97.8Very high97.4Very high35 Ų3545.8 Ų45.823%0.22724%0.244CC..EExtended strand (participates in β ladder)trans-63.3143.2175.726.5-34.3000111.8W173 F184P123-W173 HydrophobicContact CB-CH2 4Å; P123-F184 HydrophobicContact CG-CD2 4.41Å
124D96.8Very high97.3Very high23 Ų2345.8 Ų45.812%0.12324%0.244CC..PPolyproline II helixtrans-77.8127.5167.3-17286000109.6G126 W127 P128 C130 N132 Q163D124-G126 PolarHBondContact O-N 3.4Å; D124-G126 VanDerWaalsContact OD2-CA 3.3Å; D124-G126 WeakPolarHBondContact OD2-CA 3.46Å; D124-G126 PolarHBondContact OD2-N 2.94Å; D124-W127 CarbonylContact O-C 3.54Å; D124-W127 PolarHBondContact O-N 3.33Å; D124-W127 PolarHBondContact OD2-N 2.83Å; D124-P128 WeakPolarHBondContact O-CA 3.3Å; D124-C130 WeakPolarHBondContact CB-O 3.46Å; D124-C130 PolarHBondContact N-O 3.17Å; D124-N132 HydrophobicContact CB-CB 4.1Å; D124-N132 PolarHBondContact OD1-ND2 3.19Å; D124-Q163 PolarHBondContact OD1-NE2 3.46Å; D124-Q163 VanDerWaalsContact OD1-NE2 3.14Å
125P91.7Very high97.3Very high60 Ų6045.4 Ų45.439%0.3924%0.242SC..SBendtrans-75.6-12.8-177.330.3-34.5000113.5F184 I189P125-F184 HydrophobicContact CB-CE2 4.44Å; P125-F184 HydrophobicContact CB-CZ 4.45Å; P125-F184 HydrophobicContact CG-CE2 4.25Å; P125-F184 HydrophobicContact CG-CZ 4.29Å; P125-I189 HydrophobicContact CB-CD1 4.41Å; P125-I189 HydrophobicContact CG-CD1 3.08Å; P125-I189 HydrophobicContact CG-CG1 3.58Å
126G92.6Very high97.4Very high64 Ų6438 Ų3866%0.6621%0.207SC*.SBendtrans-72.8-50.3171.500000111.2D124D124-G126 PolarHBondContact O-N 3.4Å; D124-G126 VanDerWaalsContact OD2-CA 3.3Å; D124-G126 WeakPolarHBondContact OD2-CA 3.46Å; D124-G126 PolarHBondContact OD2-N 2.94Å
127W96.1Very high97.4Very high171 Ų17134.7 Ų34.765%0.64820%0.195SC*.SBendtrans-133.498.1173.3-166.9-86.4000110.3D124 D129 C130D124-W127 CarbonylContact O-C 3.54Å; D124-W127 PolarHBondContact O-N 3.33Å; D124-W127 PolarHBondContact OD2-N 2.83Å; W127-D129 PolarHBondContact O-N 3.39Å; W127-D129 VanDerWaalsContact O-N 3.13Å; W127-C130 WeakPolarHBondContact O-CA 3.34Å; W127-C130 WeakPolarHBondContact O-CB 3.4Å; W127-C130 PolarHBondContact O-N 2.82Å
128P95.9Very high97.5Very high82 Ų8230.5 Ų30.553%0.53218%0.175SC..THydrogen-bonded Turntrans-71.4-10.5-167.128.1-36.1000115.5D124D124-P128 WeakPolarHBondContact O-CA 3.3Å
129D97.6Very high97.5Very high110 Ų11031.8 Ų31.859%0.58818%0.18SC*.THydrogen-bonded Turntrans-81.7-3.3168.4-67.8-8.9000112.2W127 A174W127-D129 PolarHBondContact O-N 3.39Å; W127-D129 VanDerWaalsContact O-N 3.13Å; D129-A174 HydrophobicContact CB-CB 4.35Å; D129-A174 WeakPolarHBondContact O-CB 3.37Å
130C98.2Very high97.5Very high23 Ų2332.2 Ų32.216%0.15518%0.183CC..SBendtrans-104.9144.4165.6-69.60000109.3D124 W127 N167D124-C130 WeakPolarHBondContact CB-O 3.46Å; D124-C130 PolarHBondContact N-O 3.17Å; W127-C130 WeakPolarHBondContact O-CA 3.34Å; W127-C130 WeakPolarHBondContact O-CB 3.4Å; W127-C130 PolarHBondContact O-N 2.82Å; C130-N167 WeakPolarHBondContact CA-OD1 3.47Å; C130-N167 WeakPolarHBondContact CB-OD1 3.43Å
131F98.5Very high97.4Very high0 Ų033.8 Ų33.80%019%0.194CC..EExtended strand (participates in β ladder)trans-84149.5167.459.5-96.9000111L119 A121 A122 L166 N167 F170 W173L119-F131 HydrophobicContact CD1-CD1 4.24Å; L119-F131 HydrophobicContact CD1-CD2 4.21Å; L119-F131 HydrophobicContact CD1-CE1 3.96Å; L119-F131 HydrophobicContact CD1-CE2 3.94Å; L119-F131 HydrophobicContact CD1-CG 4.34Å; L119-F131 HydrophobicContact CD1-CZ 3.79Å; L119-F131 HydrophobicContact CG-CZ 4.39Å; A121-F131 HydrophobicContact CB-CB 3.57Å; A121-F131 HydrophobicContact CB-CD2 3.76Å; A121-F131 HydrophobicContact CB-CG 3.79Å; A122-F131 CarbonylContact O-C 3.56Å; A122-F131 VanDerWaalsContact O-CA 3.29Å; A122-F131 WeakPolarHBondContact O-CA 3.3Å; A122-F131 WeakPolarHBondContact O-CB 3.49Å; F131-L166 HydrophobicContact CE2-CB 3.85Å; F131-L166 VanDerWaalsContact CZ-C 3.48Å; F131-L166 HydrophobicContact CZ-CB 3.75Å; F131-L166 WeakPolarHBondContact CZ-O 3.26Å; F131-N167 WeakPolarHBondContact CD1-OD1 3.21Å; F131-N167 HydrophobicContact CE1-CB 4.36Å; F131-N167 WeakPolarHBondContact CE1-OD1 3.34Å; F131-N167 PolarHBondContact N-OD1 3.03Å; F131-N167 PolarHBondContact O-ND2 3.32Å; F131-F170 HydrophobicContact CE1-CB 4.06Å; F131-F170 HydrophobicContact CZ-CB 4.3Å; F131-F170 HydrophobicContact CZ-CD2 4.41Å; F131-W173 HydrophobicContact CB-CD2 3.78Å; F131-W173 HydrophobicContact CB-CE3 3.9Å; F131-W173 HydrophobicContact CB-CG 4.47Å; F131-W173 HydrophobicContact CB-CH2 3.87Å; F131-W173 HydrophobicContact CB-CZ2 3.72Å; F131-W173 HydrophobicContact CB-CZ3 3.95Å; F131-W173 HydrophobicContact CD1-CB 3.85Å; F131-W173 AromaticContact CD1-CD2 3.61Å; F131-W173 HydrophobicContact CD1-CD2 3.61Å; F131-W173 AromaticContact CD1-CE3 3.88Å; F131-W173 HydrophobicContact CD1-CE3 3.88Å; F131-W173 AromaticContact CD1-CG 3.57Å; F131-W173 HydrophobicContact CD1-CG 3.57Å; F131-W173 HydrophobicContact CE1-CB 4.09Å; F131-W173 HydrophobicContact CE1-CG 4.23Å; F131-W173 HydrophobicContact CG-CD2 4.16Å; F131-W173 HydrophobicContact CG-CE3 4.41Å; F131-W173 HydrophobicContact CG-CG 4.4Å
132N98.3Very high97.3Very high7 Ų738 Ų384%0.03722%0.216CC..EExtended strand (participates in β ladder)trans-81.2124.9170.3-173.4-83.7000109.9A122 D124 G134 Q163 N187 H211A122-N132 PolarHBondContact O-N 2.8Å; D124-N132 HydrophobicContact CB-CB 4.1Å; D124-N132 PolarHBondContact OD1-ND2 3.19Å; N132-G134 PolarHBondContact O-N 2.87Å; N132-G134 WeakPolarHBondContact OD1-CA 3.37Å; N132-G134 PolarHBondContact OD1-N 3.05Å; N132-Q163 VanDerWaalsContact CA-OE1 3.28Å; N132-Q163 PolarHBondContact ND2-OE1 3.38Å; N132-N187 PolarHBondContact OD1-ND2 3.29Å; N132-H211 PolarHBondContact OD1-CE1 2.78Å; N132-H211 PolarHBondContact OD1-ND1 3.29Å
133S97.9Very high97.3Very high4 Ų443.7 Ų43.73%0.02824%0.243CC..EExtended strand (participates in β ladder)trans-81.77.2-177.364.10000114.1K85 V135 F136 D162 Q163K85-S133 PolarHBondContact NZ-O 3.09Å; S133-V135 VanDerWaalsContact C-N 3.32Å; S133-F136 WeakPolarHBondContact O-CD1 3.49Å; S133-F136 WeakPolarHBondContact O-CE1 3.27Å; S133-D162 VanDerWaalsContact CB-OD2 3.24Å; S133-D162 WeakPolarHBondContact CB-OD2 3.24Å; S133-D162 PolarHBondContact OG-OD2 3Å; S133-Q163 VanDerWaalsContact N-OE1 3.14Å; S133-Q163 WeakPolarHBondContact OG-CA 3.09Å; S133-Q163 VanDerWaalsContact OG-CB 3.29Å; S133-Q163 WeakPolarHBondContact OG-CB 3.45Å; S133-Q163 PolarHBondContact OG-N 3.23Å
134G97.7Very high97.3Very high0 Ų043 Ų430%024%0.238CC..EExtended strand (participates in β ladder)trans-64.7-33.1174.900000114.1M100 D101 N132M100-G134 CarbonylContact C-O 3.42Å; M100-G134 VanDerWaalsContact CA-O 3.26Å; M100-G134 WeakPolarHBondContact CA-O 3.47Å; D101-G134 PolarHBondContact N-O 3.16Å; D101-G134 VanDerWaalsContact OD2-CA 3.31Å; D101-G134 WeakPolarHBondContact OD2-CA 3.32Å; N132-G134 PolarHBondContact O-N 2.87Å; N132-G134 WeakPolarHBondContact OD1-CA 3.37Å; N132-G134 PolarHBondContact OD1-N 3.05Å
135V98.7Very high97.2Very high0 Ų042.1 Ų42.10%023%0.233CC..EExtended strand (participates in β ladder)trans-143.3120.1176-1790000109.6V98 F99 M100 T104 L113 S133 N187 V209V98-V135 HydrophobicContact CG1-CG1 4.21Å; F99-V135 VanDerWaalsContact O-CA 3.32Å; F99-V135 WeakPolarHBondContact O-CA 3.34Å; M100-V135 HydrophobicContact CE-CG2 4.21Å; M100-V135 HydrophobicContact CG-CG1 4.18Å; M100-V135 HydrophobicContact CG-CG2 4.23Å; T104-V135 HydrophobicContact CG2-CG2 4.19Å; L113-V135 HydrophobicContact CD1-CG1 4.36Å; S133-V135 VanDerWaalsContact C-N 3.32Å; V135-N187 HydrophobicContact CB-CB 4.05Å; V135-N187 HydrophobicContact CG2-CB 4.06Å; V135-N187 PolarHBondContact N-ND2 3.16Å; V135-V209 HydrophobicContact CG2-CG1 4.16Å
136F98.8Very high97.3Very high0 Ų043.1 Ų43.10%024%0.235CC..EExtended strand (participates in β ladder)trans-150.3150.3176.263.3-93.9000113.5W89 V98 F99 L119 S120 A121 S133 F138 L166W89-F136 HydrophobicContact CH2-CD2 4.4Å; W89-F136 AromaticContact CH2-CE2 3.46Å; W89-F136 HydrophobicContact CH2-CE2 3.46Å; W89-F136 VanDerWaalsContact CH2-CE2 3.46Å; W89-F136 AromaticContact CH2-CZ 3.76Å; W89-F136 HydrophobicContact CH2-CZ 3.76Å; W89-F136 AromaticContact CZ2-CE2 3.93Å; W89-F136 HydrophobicContact CZ2-CE2 3.93Å; W89-F136 HydrophobicContact CZ3-CE2 4.1Å; W89-F136 HydrophobicContact CZ3-CZ 4.07Å; V98-F136 CarbonylContact C-O 3.51Å; V98-F136 WeakPolarHBondContact CA-O 3.48Å; F99-F136 HydrophobicContact CB-CD1 4.01Å; F99-F136 HydrophobicContact CB-CD2 4.01Å; F99-F136 HydrophobicContact CB-CE1 3.56Å; F99-F136 HydrophobicContact CB-CE2 3.56Å; F99-F136 HydrophobicContact CB-CG 4.23Å; F99-F136 HydrophobicContact CB-CZ 3.32Å; F99-F136 HydrophobicContact CD1-CD1 4.35Å; F99-F136 AromaticContact CD1-CE1 3.62Å; F99-F136 HydrophobicContact CD1-CE1 3.62Å; F99-F136 AromaticContact CD1-CZ 3.99Å; F99-F136 HydrophobicContact CD1-CZ 3.99Å; F99-F136 HydrophobicContact CD2-CZ 4.27Å; F99-F136 HydrophobicContact CG-CD1 4.5Å; F99-F136 AromaticContact CG-CE1 3.69Å; F99-F136 HydrophobicContact CG-CE1 3.69Å; F99-F136 HydrophobicContact CG-CE2 4.29Å; F99-F136 AromaticContact CG-CZ 3.57Å; F99-F136 HydrophobicContact CG-CZ 3.57Å; F99-F136 PolarHBondContact N-O 3.45Å; F99-F136 PolarHBondContact O-N 3.2Å; L119-F136 HydrophobicContact CD1-CB 4.37Å; L119-F136 HydrophobicContact CD2-CB 3.92Å; L119-F136 HydrophobicContact CD2-CD2 3.54Å; L119-F136 HydrophobicContact CD2-CE2 4.36Å; L119-F136 HydrophobicContact CD2-CG 4Å; S120-F136 CarbonylContact O-C 3.48Å; S120-F136 WeakPolarHBondContact O-CA 3.37Å; A121-F136 HydrophobicContact CB-CB 3.87Å; S133-F136 WeakPolarHBondContact O-CD1 3.49Å; S133-F136 WeakPolarHBondContact O-CE1 3.27Å; F136-F138 HydrophobicContact CD2-CB 4.01Å; F136-F138 AromaticContact CD2-CD1 3.93Å; F136-F138 HydrophobicContact CD2-CD1 3.93Å; F136-F138 HydrophobicContact CD2-CG 4.28Å; F136-F138 HydrophobicContact CE2-CB 4.02Å; F136-F138 AromaticContact CE2-CD1 3.64Å; F136-F138 HydrophobicContact CE2-CD1 3.64Å; F136-F138 HydrophobicContact CE2-CE1 4.32Å; F136-F138 AromaticContact CE2-CG 3.93Å; F136-F138 HydrophobicContact CE2-CG 3.93Å; F136-L166 HydrophobicContact CE1-CD1 4.12Å; F136-L166 HydrophobicContact CZ-CD1 4.27Å
137V98.9Very high97.4Very high0 Ų045.1 Ų45.10%023%0.226CC..EExtended strand (participates in β ladder)trans-96.9129.3175.8-177.20000108.7K96 A97 V98 L113 R116 L119 S120 L182K96-V137 HydrophobicContact CD-CG1 3.98Å; K96-V137 HydrophobicContact CG-CG1 4Å; A97-V137 WeakPolarHBondContact O-CA 3.45Å; V98-V137 HydrophobicContact CG2-CG2 4.06Å; L113-V137 HydrophobicContact CB-CG2 4.11Å; L113-V137 WeakPolarHBondContact O-CG2 3.1Å; R116-V137 HydrophobicContact CB-CB 4.3Å; R116-V137 HydrophobicContact CB-CG1 4.23Å; R116-V137 HydrophobicContact CB-CG2 4.01Å; R116-V137 HydrophobicContact CG-CG2 4.5Å; L119-V137 WeakPolarHBondContact CD2-O 3.19Å; S120-V137 PolarHBondContact N-O 3.1Å; S120-V137 PolarHBondContact O-N 3.03Å; V137-L182 HydrophobicContact CG2-CD1 4.46Å
138F98.8Very high97.3Very high0 Ų037 Ų370%020%0.195CC..EExtended strand (participates in β ladder)trans-143.2169.5-177.274.7-76.7000112.1V6 C88 W89 A97 F99 E118 L119 F136 P140V6-F138 HydrophobicContact CG2-CZ 4.42Å; C88-F138 HydrophobicContact CB-CE1 4.46Å; C88-F138 HydrophobicContact CB-CE2 4.17Å; C88-F138 HydrophobicContact CB-CZ 3.7Å; C88-F138 WeakPolarHBondContact O-CE2 3.17Å; W89-F138 AromaticContact CD1-CD2 3.76Å; W89-F138 AromaticContact CD2-CD2 3.97Å; W89-F138 HydrophobicContact CD2-CD2 3.97Å; W89-F138 HydrophobicContact CD2-CE2 4.39Å; W89-F138 AromaticContact CE2-CD2 3.72Å; W89-F138 AromaticContact CG-CD2 4Å; W89-F138 HydrophobicContact CG-CD2 4Å; W89-F138 HydrophobicContact CG-CE2 4.28Å; W89-F138 HydrophobicContact CZ2-CB 3.87Å; W89-F138 HydrophobicContact CZ2-CD2 4.28Å; W89-F138 HydrophobicContact CZ2-CG 4.25Å; W89-F138 AromaticContact NE1-CD2 3.57Å; A97-F138 HydrophobicContact CB-CD1 4.01Å; A97-F138 HydrophobicContact CB-CE1 3.32Å; A97-F138 HydrophobicContact CB-CE2 4.13Å; A97-F138 HydrophobicContact CB-CZ 3.4Å; A97-F138 VanDerWaalsContact CB-CZ 3.4Å; A97-F138 PolarHBondContact N-O 3.36Å; A97-F138 VanDerWaalsContact O-CD1 3.3Å; A97-F138 WeakPolarHBondContact O-CD1 3.49Å; A97-F138 PolarHBondContact O-N 3.33Å; F99-F138 HydrophobicContact CB-CD1 4.16Å; F99-F138 HydrophobicContact CB-CE1 3.85Å; E118-F138 HydrophobicContact CG-CB 4.44Å; E118-F138 WeakPolarHBondContact OE2-CB 3.45Å; L119-F138 HydrophobicContact CD2-CB 4.41Å; F136-F138 HydrophobicContact CD2-CB 4.01Å; F136-F138 AromaticContact CD2-CD1 3.93Å; F136-F138 HydrophobicContact CD2-CD1 3.93Å; F136-F138 HydrophobicContact CD2-CG 4.28Å; F136-F138 HydrophobicContact CE2-CB 4.02Å; F136-F138 AromaticContact CE2-CD1 3.64Å; F136-F138 HydrophobicContact CE2-CD1 3.64Å; F136-F138 HydrophobicContact CE2-CE1 4.32Å; F136-F138 AromaticContact CE2-CG 3.93Å; F136-F138 HydrophobicContact CE2-CG 3.93Å; F138-P140 HydrophobicContact CD2-CG 4.32Å; F138-P140 HydrophobicContact CE2-CB 4.38Å; F138-P140 HydrophobicContact CE2-CG 3.71Å; F138-P140 HydrophobicContact CZ-CG 4.29Å
139K98.5Very high96.9Very high81 Ų8133.2 Ų33.235%0.35217%0.17SC..  trans-115110.9175.2-71.6-178.3-178.8174.10109.1E117 E118 S141E117-K139 WeakPolarHBondContact OE2-CE 3.4Å; E117-K139 IonicContact OE2-NZ 2.63Å; E117-K139 PolarHBondContact OE2-NZ 2.8Å; E118-K139 HydrophobicContact CB-CB 4.45Å; E118-K139 HydrophobicContact CB-CG 4.2Å; E118-K139 PolarHBondContact OE2-N 3.26Å; K139-S141 PolarHBondContact O-N 2.79Å; K139-S141 VanDerWaalsContact O-N 3.13Å
140P98.3Very high96.6Very high16 Ų1631.3 Ų31.310%0.10417%0.166CC..  trans-53.4122.1174-26.534.6000111.6W89 L91 A97 F138W89-P140 CarbonylContact O-C 3.59Å; W89-P140 WeakPolarHBondContact O-CA 3.49Å; L91-P140 VanDerWaalsContact C-CB 3.48Å; L91-P140 HydrophobicContact CB-CB 4.42Å; L91-P140 HydrophobicContact CB-CG 4.48Å; L91-P140 WeakPolarHBondContact O-CB 3.3Å; A97-P140 HydrophobicContact CB-CG 4.14Å; F138-P140 HydrophobicContact CD2-CG 4.32Å; F138-P140 HydrophobicContact CE2-CB 4.38Å; F138-P140 HydrophobicContact CE2-CG 3.71Å; F138-P140 HydrophobicContact CZ-CG 4.29Å
141S97.9Very high96.3Very high33 Ų3332.6 Ų32.623%0.23117%0.168CC..  trans-154.5123.8-176.2172.20000109.5W89 K139 E143 T144 Y145W89-S141 CarbonylContact O-C 3.37Å; W89-S141 PolarHBondContact O-N 3.17Å; K139-S141 PolarHBondContact O-N 2.79Å; K139-S141 VanDerWaalsContact O-N 3.13Å; S141-E143 PolarHBondContact O-N 3.32Å; S141-E143 WeakPolarHBondContact OG-CB 3.33Å; S141-E143 PolarHBondContact OG-N 3.48Å; S141-T144 WeakPolarHBondContact CB-OG1 3.4Å; S141-T144 PolarHBondContact O-N 2.88Å; S141-T144 PolarHBondContact OG-N 2.83Å; S141-T144 PolarHBondContact OG-OG1 3.29Å; S141-Y145 WeakPolarHBondContact O-CB 3.39Å; S141-Y145 PolarHBondContact O-N 2.98Å
142L96.5Very high95.8Very high89 Ų8932.6 Ų32.647%0.46617%0.168SC..Hα-helixtrans-62-30.7172.2-68.7178.3000111.6R90 T92 N146R90-L142 HydrophobicContact CB-CD2 4.2Å; R90-L142 HydrophobicContact CG-CD2 4.05Å; T92-L142 HydrophobicContact CG2-CG 3.97Å; L142-N146 WeakPolarHBondContact O-CB 2.94Å; L142-N146 PolarHBondContact O-N 3.46Å; L142-N146 PolarHBondContact O-ND2 3.24Å
143E97.6Very high95.2Very high119 Ų11935 Ų3556%0.55618%0.184SC*.Hα-helixtrans-65.2-48.7175.2-171.9-170.3154.100111S141 Y145 N146 K147S141-E143 PolarHBondContact O-N 3.32Å; S141-E143 WeakPolarHBondContact OG-CB 3.33Å; S141-E143 PolarHBondContact OG-N 3.48Å; E143-Y145 VanDerWaalsContact C-N 3.35Å; E143-N146 PolarHBondContact O-N 3.47Å; E143-K147 HydrophobicContact CG-CD 4.32Å; E143-K147 WeakPolarHBondContact O-CB 3.41Å; E143-K147 WeakPolarHBondContact O-CG 3.24Å; E143-K147 PolarHBondContact O-N 3.43Å; E143-K147 WeakPolarHBondContact OE1-CE 3.29Å; E143-K147 IonicContact OE1-NZ 2.97Å; E143-K147 PolarHBondContact OE1-NZ 2.85Å
144T97.2Very high94.8Very high20 Ų2038.8 Ų38.812%0.12321%0.21CC..Hα-helixtrans-63.7-42.2177.9-54.30000110.8W89 S141 K147 L148 F169 F170W89-T144 HydrophobicContact CG-CG2 4.31Å; S141-T144 WeakPolarHBondContact CB-OG1 3.4Å; S141-T144 PolarHBondContact O-N 2.88Å; S141-T144 PolarHBondContact OG-N 2.83Å; S141-T144 PolarHBondContact OG-OG1 3.29Å; T144-K147 PolarHBondContact O-N 3.19Å; T144-L148 HydrophobicContact CG2-CD1 3.95Å; T144-L148 HydrophobicContact CG2-CG 4.47Å; T144-L148 WeakPolarHBondContact O-CB 3.07Å; T144-L148 WeakPolarHBondContact O-CG 3.18Å; T144-L148 PolarHBondContact O-N 3.41Å; T144-F169 HydrophobicContact CG2-CE1 4.4Å; T144-F170 HydrophobicContact CG2-CZ 4.34Å
145Y95.2Very high94.3Very high5 Ų547.7 Ų47.72%0.0224%0.243CC..Hα-helixtrans-56.9-50.9174.1173.6-104.2000112.4L86 H87 R90 S141 E143 K147 L148 L149L86-Y145 HydrophobicContact CB-CD2 4.36Å; L86-Y145 HydrophobicContact CB-CE2 4.28Å; L86-Y145 WeakPolarHBondContact O-CD2 3.48Å; H87-Y145 PolarHBondContact NE2-OH 2.9Å; R90-Y145 HydrophobicContact CG-CD1 3.81Å; R90-Y145 HydrophobicContact CG-CD2 3.77Å; R90-Y145 HydrophobicContact CG-CE1 4.03Å; R90-Y145 HydrophobicContact CG-CE2 3.99Å; R90-Y145 HydrophobicContact CG-CG 3.67Å; S141-Y145 WeakPolarHBondContact O-CB 3.39Å; S141-Y145 PolarHBondContact O-N 2.98Å; E143-Y145 VanDerWaalsContact C-N 3.35Å; Y145-K147 VanDerWaalsContact C-N 3.31Å; Y145-K147 PolarHBondContact O-N 2.83Å; Y145-L148 PolarHBondContact O-N 3.04Å; Y145-L149 HydrophobicContact CE1-CD2 4.22Å; Y145-L149 WeakPolarHBondContact O-CB 3.18Å; Y145-L149 PolarHBondContact O-N 3.26Å
146N93.2Very high93.8Very high81 Ų8147.7 Ų47.743%0.43324%0.244SC..Hα-helixtrans-64.2-36.9-179.5-70.6-20.5000112.1L142 E143 S150L142-N146 WeakPolarHBondContact O-CB 2.94Å; L142-N146 PolarHBondContact O-N 3.46Å; L142-N146 PolarHBondContact O-ND2 3.24Å; E143-N146 PolarHBondContact O-N 3.47Å; N146-S150 WeakPolarHBondContact O-CB 3.03Å; N146-S150 PolarHBondContact O-N 3.48Å; N146-S150 PolarHBondContact O-OG 3.29Å
147K95.3Very high93.4Very high107 Ų10748.5 Ų48.547%0.46525%0.249SC..Hα-helixtrans-64.8-47.5174.2-76.1173.1172172.50111.5E143 T144 Y145 L149 S150 F151 F169E143-K147 HydrophobicContact CG-CD 4.32Å; E143-K147 WeakPolarHBondContact O-CB 3.41Å; E143-K147 WeakPolarHBondContact O-CG 3.24Å; E143-K147 PolarHBondContact O-N 3.43Å; E143-K147 WeakPolarHBondContact OE1-CE 3.29Å; E143-K147 IonicContact OE1-NZ 2.97Å; E143-K147 PolarHBondContact OE1-NZ 2.85Å; T144-K147 PolarHBondContact O-N 3.19Å; Y145-K147 VanDerWaalsContact C-N 3.31Å; Y145-K147 PolarHBondContact O-N 2.83Å; K147-L149 VanDerWaalsContact C-N 3.33Å; K147-L149 PolarHBondContact O-N 3.31Å; K147-S150 PolarHBondContact O-N 3.11Å; K147-F151 WeakPolarHBondContact O-CB 3.48Å; K147-F151 PolarHBondContact O-N 2.87Å; K147-F169 HydrophobicContact CB-CE2 3.88Å; K147-F169 HydrophobicContact CB-CZ 3.78Å
148L94Very high93.1Very high0 Ų054.3 Ų54.30%028%0.275CS..Hα-helixtrans-59.2-44.2175.9-81.8164000111.4L86 W89 T144 Y145 F151 A152 L166 F169 F170L86-L148 HydrophobicContact CD1-CB 4.25Å; L86-L148 HydrophobicContact CD2-CD1 4.36Å; W89-L148 HydrophobicContact CD2-CD1 3.67Å; W89-L148 HydrophobicContact CE3-CD1 3.69Å; W89-L148 HydrophobicContact CG-CD1 4.28Å; W89-L148 HydrophobicContact CH2-CD1 4.13Å; W89-L148 HydrophobicContact CZ2-CD1 4.09Å; W89-L148 HydrophobicContact CZ3-CD1 3.93Å; T144-L148 HydrophobicContact CG2-CD1 3.95Å; T144-L148 HydrophobicContact CG2-CG 4.47Å; T144-L148 WeakPolarHBondContact O-CB 3.07Å; T144-L148 WeakPolarHBondContact O-CG 3.18Å; T144-L148 PolarHBondContact O-N 3.41Å; Y145-L148 PolarHBondContact O-N 3.04Å; L148-F151 PolarHBondContact O-N 2.85Å; L148-A152 WeakPolarHBondContact O-CB 3.22Å; L148-A152 PolarHBondContact O-N 2.89Å; L148-L166 HydrophobicContact CD1-CD2 4.5Å; L148-L166 HydrophobicContact CD2-CD2 3.82Å; L148-F169 HydrophobicContact CD2-CB 3.77Å; L148-F169 HydrophobicContact CD2-CD1 3.47Å; L148-F169 VanDerWaalsContact CD2-CD1 3.47Å; L148-F169 HydrophobicContact CD2-CD2 3.68Å; L148-F169 HydrophobicContact CD2-CE1 3.89Å; L148-F169 HydrophobicContact CD2-CE2 4.08Å; L148-F169 HydrophobicContact CD2-CG 3.34Å; L148-F169 HydrophobicContact CD2-CZ 4.17Å; L148-F169 HydrophobicContact CG-CD1 4.05Å; L148-F169 HydrophobicContact CG-CD2 4.19Å; L148-F169 HydrophobicContact CG-CE1 3.92Å; L148-F169 HydrophobicContact CG-CE2 4.08Å; L148-F169 HydrophobicContact CG-CG 4.17Å; L148-F169 HydrophobicContact CG-CZ 3.93Å; L148-F170 HydrophobicContact CD2-CE2 4.37Å
149L88.9Confident92.7Very high2 Ų258 Ų581%0.0129%0.294CS..Hα-helixtrans-64.1-48.8179.9-169.261.8000111.8T69 L73 F83 Y145 K147 F151 A152 V153T69-L149 HydrophobicContact CG2-CD2 3.53Å; T69-L149 HydrophobicContact CG2-CG 3.66Å; L73-L149 HydrophobicContact CD1-CD1 4.07Å; L73-L149 HydrophobicContact CD2-CD1 3.52Å; L73-L149 HydrophobicContact CG-CD1 4.31Å; F83-L149 HydrophobicContact CD1-CD1 3.98Å; F83-L149 HydrophobicContact CE1-CD1 4.11Å; Y145-L149 HydrophobicContact CE1-CD2 4.22Å; Y145-L149 WeakPolarHBondContact O-CB 3.18Å; Y145-L149 PolarHBondContact O-N 3.26Å; K147-L149 VanDerWaalsContact C-N 3.33Å; K147-L149 PolarHBondContact O-N 3.31Å; L149-F151 VanDerWaalsContact C-N 3.28Å; L149-F151 PolarHBondContact O-N 3.27Å; L149-A152 PolarHBondContact O-N 3Å; L149-V153 WeakPolarHBondContact O-CG2 3.18Å; L149-V153 PolarHBondContact O-N 3.14Å
150S90.2Very high92.2Very high71 Ų7155.6 Ų55.650%0.49729%0.293SS..Hα-helixtrans-61.6-38.5175.5-560000111.9N146 K147 S154N146-S150 WeakPolarHBondContact O-CB 3.03Å; N146-S150 PolarHBondContact O-N 3.48Å; N146-S150 PolarHBondContact O-OG 3.29Å; K147-S150 PolarHBondContact O-N 3.11Å; S150-S154 PolarHBondContact O-N 3.18Å; S150-S154 VanDerWaalsContact O-N 3.14Å; S150-S154 PolarHBondContact O-OG 2.93Å
151F91.5Very high91.8Very high49 Ų4955.8 Ų55.822%0.21530%0.298CS..Hα-helixtrans-65.4-44.3177-168.7-93.4000111.7K147 L148 L149 V153 S154 R155 L165 I168 F169K147-F151 WeakPolarHBondContact O-CB 3.48Å; K147-F151 PolarHBondContact O-N 2.87Å; L148-F151 PolarHBondContact O-N 2.85Å; L149-F151 VanDerWaalsContact C-N 3.28Å; L149-F151 PolarHBondContact O-N 3.27Å; F151-V153 PolarHBondContact O-N 3.14Å; F151-S154 PolarHBondContact O-N 3.09Å; F151-S154 PolarHBondContact O-OG 3.3Å; F151-R155 HydrophobicContact CD1-CB 4.32Å; F151-R155 HydrophobicContact CD1-CG 4.48Å; F151-R155 HydrophobicContact CD2-CG 4.37Å; F151-R155 HydrophobicContact CE1-CB 3.97Å; F151-R155 HydrophobicContact CE1-CG 4.06Å; F151-R155 HydrophobicContact CE2-CG 3.96Å; F151-R155 HydrophobicContact CZ-CB 4.19Å; F151-R155 HydrophobicContact CZ-CG 3.78Å; F151-R155 WeakPolarHBondContact O-CB 3.48Å; F151-R155 PolarHBondContact O-N 2.84Å; F151-L165 HydrophobicContact CD1-CD1 3.92Å; F151-L165 HydrophobicContact CE1-CD1 4.48Å; F151-I168 HydrophobicContact CE1-CB 3.9Å; F151-I168 HydrophobicContact CE1-CG2 3.72Å; F151-I168 HydrophobicContact CZ-CB 4.18Å; F151-I168 HydrophobicContact CZ-CG2 3.5Å; F151-F169 HydrophobicContact CB-CD2 3.77Å; F151-F169 HydrophobicContact CB-CE2 4.13Å; F151-F169 HydrophobicContact CD1-CB 4.2Å; F151-F169 AromaticContact CD1-CD2 3.99Å; F151-F169 HydrophobicContact CD1-CD2 3.99Å; F151-F169 HydrophobicContact CD2-CD2 4.12Å; F151-F169 HydrophobicContact CE1-CB 4.3Å; F151-F169 AromaticContact CG-CD2 3.7Å; F151-F169 HydrophobicContact CG-CD2 3.7Å; F151-F169 HydrophobicContact CG-CE2 4.42Å
152A89.2Confident91.6Very high0 Ų055.4 Ų55.40%029%0.293CS..Hα-helixtrans-63.7-40.117800000112.9F83 L148 L149 S154 G156 L165F83-A152 HydrophobicContact CE1-CB 3.47Å; F83-A152 VanDerWaalsContact CE1-CB 3.47Å; F83-A152 HydrophobicContact CZ-CB 4.01Å; L148-A152 WeakPolarHBondContact O-CB 3.22Å; L148-A152 PolarHBondContact O-N 2.89Å; L149-A152 PolarHBondContact O-N 3Å; A152-S154 VanDerWaalsContact C-N 3.31Å; A152-S154 PolarHBondContact O-N 3.23Å; A152-G156 WeakPolarHBondContact O-CA 3.43Å; A152-G156 PolarHBondContact O-N 3.01Å; A152-L165 HydrophobicContact CB-CD1 3.59Å; A152-L165 HydrophobicContact CB-CD2 3.67Å; A152-L165 HydrophobicContact CB-CG 4.3Å
153V85.5Confident91.6Very high59 Ų5952.9 Ų52.936%0.35828%0.279SS..Hα-helixtrans-62.6-39.8174.5172.50000111A72 L73 L149 F151A72-V153 HydrophobicContact CB-CG1 4.09Å; A72-V153 HydrophobicContact CB-CG2 4Å; L73-V153 HydrophobicContact CD2-CG2 4.17Å; L149-V153 WeakPolarHBondContact O-CG2 3.18Å; L149-V153 PolarHBondContact O-N 3.14Å; F151-V153 PolarHBondContact O-N 3.14Å
154S88.1Confident91.5Very high83 Ų8347.2 Ų47.258%0.5825%0.253SS*.Hα-helixtrans-83.4-33.5-175.660.60000115S150 F151 A152S150-S154 PolarHBondContact O-N 3.18Å; S150-S154 VanDerWaalsContact O-N 3.14Å; S150-S154 PolarHBondContact O-OG 2.93Å; F151-S154 PolarHBondContact O-N 3.09Å; F151-S154 PolarHBondContact O-OG 3.3Å; A152-S154 VanDerWaalsContact C-N 3.31Å; A152-S154 PolarHBondContact O-N 3.23Å
155R88.9Confident91.4Very high186 Ų18646.2 Ų46.270%0.70225%0.247SC*.Hα-helixtrans-114.7-24-174-64.5-65.8-170.6168.91.7114F151F151-R155 HydrophobicContact CD1-CB 4.32Å; F151-R155 HydrophobicContact CD1-CG 4.48Å; F151-R155 HydrophobicContact CD2-CG 4.37Å; F151-R155 HydrophobicContact CE1-CB 3.97Å; F151-R155 HydrophobicContact CE1-CG 4.06Å; F151-R155 HydrophobicContact CE2-CG 3.96Å; F151-R155 HydrophobicContact CZ-CB 4.19Å; F151-R155 HydrophobicContact CZ-CG 3.78Å; F151-R155 WeakPolarHBondContact O-CB 3.48Å; F151-R155 PolarHBondContact O-N 2.84Å
156G87.1Confident91.5Very high1 Ų146 Ų461%0.0125%0.246CC..  trans66.2-162.6-168.900000113.2A152 L165A152-G156 WeakPolarHBondContact O-CA 3.43Å; A152-G156 PolarHBondContact O-N 3.01Å; G156-L165 WeakPolarHBondContact O-CD1 3.44Å
157S91.6Very high91.7Very high16 Ų1642.8 Ų42.811%0.11223%0.228CC..  trans-110.4145.2167.9-177.80000110.3D159 G161 G164 L165S157-D159 VanDerWaalsContact C-N 3.34Å; S157-D159 PolarHBondContact OG-N 2.97Å; S157-D159 PolarHBondContact OG-OD1 3.49Å; S157-G161 WeakPolarHBondContact CB-O 3.23Å; S157-G161 PolarHBondContact OG-O 3.33Å; S157-G164 VanDerWaalsContact OG-CA 3.28Å; S157-G164 WeakPolarHBondContact OG-CA 3.44Å; S157-L165 PolarHBondContact OG-N 3.29Å
158F92.6Very high91.8Very high123 Ų12340.4 Ų40.454%0.53922%0.22SC..SBendtrans-74-23.4175.266.4-114.9000113.5G164 N167 I168F158-G164 WeakPolarHBondContact CE1-O 3.45Å; F158-G164 VanDerWaalsContact CZ-CA 3.41Å; F158-N167 HydrophobicContact CE1-CB 4.04Å; F158-N167 HydrophobicContact CZ-CB 4.37Å; F158-I168 HydrophobicContact CB-CD1 4.32Å; F158-I168 HydrophobicContact CD1-CD1 3.7Å; F158-I168 HydrophobicContact CD1-CG1 3.57Å; F158-I168 HydrophobicContact CE1-CG1 4.02Å; F158-I168 HydrophobicContact CG-CD1 4.46Å
159D90.4Very high92Very high76 Ų7642.9 Ų42.941%0.40623%0.231SC..SBendtrans-110.22.7-179.566.1-0.7000112.8S157 G161 G164S157-D159 VanDerWaalsContact C-N 3.34Å; S157-D159 PolarHBondContact OG-N 2.97Å; S157-D159 PolarHBondContact OG-OD1 3.49Å; D159-G161 PolarHBondContact O-N 3.02Å; D159-G161 WeakPolarHBondContact OD1-CA 3.28Å; D159-G161 PolarHBondContact OD1-N 2.82Å; D159-G164 VanDerWaalsContact CG-N 3.34Å; D159-G164 WeakPolarHBondContact OD1-CA 3.34Å; D159-G164 PolarHBondContact OD1-N 3.13Å; D159-G164 VanDerWaalsContact OD1-N 3.09Å; D159-G164 PolarHBondContact OD2-N 2.92Å
160G87.7Confident92.4Very high32 Ų3243.9 Ų43.933%0.3324%0.235SC..SBendtrans72.6-0.7-174.400000114.8
161G89.3Confident92.7Very high20 Ų2044.8 Ų44.821%0.20624%0.242CC..SBendtrans-112.4-176.6179.200000113.7T82 S157 D159T82-G161 WeakPolarHBondContact OG1-CA 3.32Å; S157-G161 WeakPolarHBondContact CB-O 3.23Å; S157-G161 PolarHBondContact OG-O 3.33Å; D159-G161 PolarHBondContact O-N 3.02Å; D159-G161 WeakPolarHBondContact OD1-CA 3.28Å; D159-G161 PolarHBondContact OD1-N 2.82Å
162D93.5Very high93Very high24 Ų2445.5 Ų45.513%0.12825%0.248CC..Hα-helixtrans-71.6-32.2175.458.5-76.3000112.9T82 K85 S133 G164 L165 L166T82-D162 VanDerWaalsContact CG2-CA 3.47Å; T82-D162 HydrophobicContact CG2-CB 3.75Å; T82-D162 PolarHBondContact OG1-N 3.01Å; K85-D162 HydrophobicContact CD-CB 4.16Å; K85-D162 WeakPolarHBondContact CD-OD2 3.29Å; K85-D162 WeakPolarHBondContact CE-OD2 3.34Å; K85-D162 IonicContact NZ-OD1 3.39Å; K85-D162 IonicContact NZ-OD2 2.71Å; K85-D162 PolarHBondContact NZ-OD2 3.46Å; S133-D162 VanDerWaalsContact CB-OD2 3.24Å; S133-D162 WeakPolarHBondContact CB-OD2 3.24Å; S133-D162 PolarHBondContact OG-OD2 3Å; D162-G164 PolarHBondContact O-N 3.31Å; D162-L165 PolarHBondContact O-N 2.8Å; D162-L166 WeakPolarHBondContact O-CB 3.33Å; D162-L166 VanDerWaalsContact O-CG 3.23Å; D162-L166 WeakPolarHBondContact O-CG 3.13Å; D162-L166 PolarHBondContact O-N 3.43Å
163Q96Very high93.5Very high36 Ų3645.7 Ų45.717%0.16825%0.249CC..Hα-helixtrans-57.8-50.3179.4-175.6162.8-62.900111D124 N132 S133 L166 N167D124-Q163 PolarHBondContact OD1-NE2 3.46Å; D124-Q163 VanDerWaalsContact OD1-NE2 3.14Å; N132-Q163 VanDerWaalsContact CA-OE1 3.28Å; N132-Q163 PolarHBondContact ND2-OE1 3.38Å; S133-Q163 VanDerWaalsContact N-OE1 3.14Å; S133-Q163 WeakPolarHBondContact OG-CA 3.09Å; S133-Q163 VanDerWaalsContact OG-CB 3.29Å; S133-Q163 WeakPolarHBondContact OG-CB 3.45Å; S133-Q163 PolarHBondContact OG-N 3.23Å; Q163-L166 PolarHBondContact O-N 3.19Å; Q163-N167 WeakPolarHBondContact CG-ND2 3.31Å; Q163-N167 WeakPolarHBondContact O-CB 3.39Å; Q163-N167 PolarHBondContact O-N 2.85Å; Q163-N167 PolarHBondContact O-ND2 3.49Å
164G95.5Very high94Very high0 Ų044.4 Ų44.40%024%0.244CC..Hα-helixtrans-63.6-43178.300000113S157 F158 D159 D162 L166 N167 I168S157-G164 VanDerWaalsContact OG-CA 3.28Å; S157-G164 WeakPolarHBondContact OG-CA 3.44Å; F158-G164 WeakPolarHBondContact CE1-O 3.45Å; F158-G164 VanDerWaalsContact CZ-CA 3.41Å; D159-G164 VanDerWaalsContact CG-N 3.34Å; D159-G164 WeakPolarHBondContact OD1-CA 3.34Å; D159-G164 PolarHBondContact OD1-N 3.13Å; D159-G164 VanDerWaalsContact OD1-N 3.09Å; D159-G164 PolarHBondContact OD2-N 2.92Å; D162-G164 PolarHBondContact O-N 3.31Å; G164-L166 PolarHBondContact O-N 3.45Å; G164-N167 PolarHBondContact O-N 3Å; G164-I168 VanDerWaalsContact O-CG1 3.27Å; G164-I168 WeakPolarHBondContact O-CG1 3.47Å; G164-I168 PolarHBondContact O-N 3.47Å; G164-I168 VanDerWaalsContact O-N 3.11Å
165L95.1Very high94.5Very high0 Ų046.5 Ų46.50%025%0.253CS..Hα-helixtrans-59.7-49.9177.3176.465.5000111.6T82 L86 F151 A152 G156 S157 D162 I168 F169T82-L165 HydrophobicContact CG2-CB 4.33Å; T82-L165 HydrophobicContact CG2-CD2 3.64Å; L86-L165 HydrophobicContact CD1-CD2 3.82Å; L86-L165 HydrophobicContact CD2-CD2 4.36Å; F151-L165 HydrophobicContact CD1-CD1 3.92Å; F151-L165 HydrophobicContact CE1-CD1 4.48Å; A152-L165 HydrophobicContact CB-CD1 3.59Å; A152-L165 HydrophobicContact CB-CD2 3.67Å; A152-L165 HydrophobicContact CB-CG 4.3Å; G156-L165 WeakPolarHBondContact O-CD1 3.44Å; S157-L165 PolarHBondContact OG-N 3.29Å; D162-L165 PolarHBondContact O-N 2.8Å; L165-I168 PolarHBondContact O-N 3.5Å; L165-F169 WeakPolarHBondContact O-CB 3.27Å; L165-F169 PolarHBondContact O-N 3.04Å
166L97.7Very high94.8Very high0 Ų044.2 Ų44.20%025%0.249CC..Hα-helixtrans-66.2-38.4-177.5-68.2176.4000111.3L86 W89 F131 F136 L148 D162 Q163 G164 F169 F170L86-L166 HydrophobicContact CD2-CD2 3.95Å; W89-L166 HydrophobicContact CH2-CD1 4.33Å; W89-L166 HydrophobicContact CH2-CD2 3.58Å; W89-L166 HydrophobicContact CZ3-CD2 3.94Å; F131-L166 HydrophobicContact CE2-CB 3.85Å; F131-L166 VanDerWaalsContact CZ-C 3.48Å; F131-L166 HydrophobicContact CZ-CB 3.75Å; F131-L166 WeakPolarHBondContact CZ-O 3.26Å; F136-L166 HydrophobicContact CE1-CD1 4.12Å; F136-L166 HydrophobicContact CZ-CD1 4.27Å; L148-L166 HydrophobicContact CD1-CD2 4.5Å; L148-L166 HydrophobicContact CD2-CD2 3.82Å; D162-L166 WeakPolarHBondContact O-CB 3.33Å; D162-L166 VanDerWaalsContact O-CG 3.23Å; D162-L166 WeakPolarHBondContact O-CG 3.13Å; D162-L166 PolarHBondContact O-N 3.43Å; Q163-L166 PolarHBondContact O-N 3.19Å; G164-L166 PolarHBondContact O-N 3.45Å; L166-F169 PolarHBondContact O-N 2.98Å; L166-F170 HydrophobicContact CD2-CD2 4.42Å; L166-F170 HydrophobicContact CD2-CE2 4.07Å; L166-F170 WeakPolarHBondContact O-CB 3.41Å; L166-F170 WeakPolarHBondContact O-CD2 3.36Å; L166-F170 PolarHBondContact O-N 2.93Å
167N98.2Very high95.3Very high13 Ų1346 Ų467%0.0726%0.258CS..Hα-helixtrans-65.8-37.4177-87.1-82.3000112.8C130 F131 F158 Q163 G164 F170 S171C130-N167 WeakPolarHBondContact CA-OD1 3.47Å; C130-N167 WeakPolarHBondContact CB-OD1 3.43Å; F131-N167 WeakPolarHBondContact CD1-OD1 3.21Å; F131-N167 HydrophobicContact CE1-CB 4.36Å; F131-N167 WeakPolarHBondContact CE1-OD1 3.34Å; F131-N167 PolarHBondContact N-OD1 3.03Å; F131-N167 PolarHBondContact O-ND2 3.32Å; F158-N167 HydrophobicContact CE1-CB 4.04Å; F158-N167 HydrophobicContact CZ-CB 4.37Å; Q163-N167 WeakPolarHBondContact CG-ND2 3.31Å; Q163-N167 WeakPolarHBondContact O-CB 3.39Å; Q163-N167 PolarHBondContact O-N 2.85Å; Q163-N167 PolarHBondContact O-ND2 3.49Å; G164-N167 PolarHBondContact O-N 3Å; N167-F170 CarbonylContact O-C 3.48Å; N167-S171 WeakPolarHBondContact O-CA 3.33Å; N167-S171 PolarHBondContact O-N 2.97Å
168I96.7Very high95.5Very high57 Ų5751.4 Ų51.429%0.29228%0.284SS..Hα-helixtrans-72.2-37.3174.7-51.6163.1000110.3F151 F158 G164 L165 S171F151-I168 HydrophobicContact CE1-CB 3.9Å; F151-I168 HydrophobicContact CE1-CG2 3.72Å; F151-I168 HydrophobicContact CZ-CB 4.18Å; F151-I168 HydrophobicContact CZ-CG2 3.5Å; F158-I168 HydrophobicContact CB-CD1 4.32Å; F158-I168 HydrophobicContact CD1-CD1 3.7Å; F158-I168 HydrophobicContact CD1-CG1 3.57Å; F158-I168 HydrophobicContact CE1-CG1 4.02Å; F158-I168 HydrophobicContact CG-CD1 4.46Å; G164-I168 VanDerWaalsContact O-CG1 3.27Å; G164-I168 WeakPolarHBondContact O-CG1 3.47Å; G164-I168 PolarHBondContact O-N 3.47Å; G164-I168 VanDerWaalsContact O-N 3.11Å; L165-I168 PolarHBondContact O-N 3.5Å; I168-S171 WeakPolarHBondContact O-CB 3.46Å
169F97.6Very high95.8Very high52 Ų5253.6 Ų53.623%0.22829%0.289CS..Hα-helixtrans-68.2-45.6179.8-173.7-91.3000112.4T144 K147 L148 F151 L165 L166 S171T144-F169 HydrophobicContact CG2-CE1 4.4Å; K147-F169 HydrophobicContact CB-CE2 3.88Å; K147-F169 HydrophobicContact CB-CZ 3.78Å; L148-F169 HydrophobicContact CD2-CB 3.77Å; L148-F169 HydrophobicContact CD2-CD1 3.47Å; L148-F169 VanDerWaalsContact CD2-CD1 3.47Å; L148-F169 HydrophobicContact CD2-CD2 3.68Å; L148-F169 HydrophobicContact CD2-CE1 3.89Å; L148-F169 HydrophobicContact CD2-CE2 4.08Å; L148-F169 HydrophobicContact CD2-CG 3.34Å; L148-F169 HydrophobicContact CD2-CZ 4.17Å; L148-F169 HydrophobicContact CG-CD1 4.05Å; L148-F169 HydrophobicContact CG-CD2 4.19Å; L148-F169 HydrophobicContact CG-CE1 3.92Å; L148-F169 HydrophobicContact CG-CE2 4.08Å; L148-F169 HydrophobicContact CG-CG 4.17Å; L148-F169 HydrophobicContact CG-CZ 3.93Å; F151-F169 HydrophobicContact CB-CD2 3.77Å; F151-F169 HydrophobicContact CB-CE2 4.13Å; F151-F169 HydrophobicContact CD1-CB 4.2Å; F151-F169 AromaticContact CD1-CD2 3.99Å; F151-F169 HydrophobicContact CD1-CD2 3.99Å; F151-F169 HydrophobicContact CD2-CD2 4.12Å; F151-F169 HydrophobicContact CE1-CB 4.3Å; F151-F169 AromaticContact CG-CD2 3.7Å; F151-F169 HydrophobicContact CG-CD2 3.7Å; F151-F169 HydrophobicContact CG-CE2 4.42Å; L165-F169 WeakPolarHBondContact O-CB 3.27Å; L165-F169 PolarHBondContact O-N 3.04Å; L166-F169 PolarHBondContact O-N 2.98Å; F169-S171 VanDerWaalsContact C-N 3.33Å; F169-S171 PolarHBondContact O-N 3.31Å
170F97.9Very high96.1Very high23 Ų2350.9 Ų50.910%0.10127%0.274CS..THydrogen-bonded Turntrans-98.247.6175.8-60.2-74.3000110.8W89 E118 L119 F131 T144 L148 L166 N167 D172 W173W89-F170 HydrophobicContact CH2-CE2 4.36Å; W89-F170 AromaticContact CZ2-CE2 3.96Å; W89-F170 HydrophobicContact CZ2-CE2 3.96Å; W89-F170 HydrophobicContact CZ2-CZ 4.05Å; E118-F170 HydrophobicContact CG-CE1 4.3Å; L119-F170 HydrophobicContact CB-CB 4.31Å; L119-F170 HydrophobicContact CB-CD1 3.76Å; L119-F170 HydrophobicContact CB-CD2 4.13Å; L119-F170 HydrophobicContact CB-CE1 4.03Å; L119-F170 HydrophobicContact CB-CE2 4.38Å; L119-F170 HydrophobicContact CB-CG 3.81Å; L119-F170 HydrophobicContact CB-CZ 4.33Å; L119-F170 HydrophobicContact CD2-CE2 4.41Å; L119-F170 HydrophobicContact CG-CB 4.44Å; L119-F170 HydrophobicContact CG-CD1 4.38Å; L119-F170 HydrophobicContact CG-CD2 3.82Å; L119-F170 HydrophobicContact CG-CE2 4.1Å; L119-F170 HydrophobicContact CG-CG 3.97Å; L119-F170 HydrophobicContact CG-CZ 4.49Å; F131-F170 HydrophobicContact CE1-CB 4.06Å; F131-F170 HydrophobicContact CZ-CB 4.3Å; F131-F170 HydrophobicContact CZ-CD2 4.41Å; T144-F170 HydrophobicContact CG2-CZ 4.34Å; L148-F170 HydrophobicContact CD2-CE2 4.37Å; L166-F170 HydrophobicContact CD2-CD2 4.42Å; L166-F170 HydrophobicContact CD2-CE2 4.07Å; L166-F170 WeakPolarHBondContact O-CB 3.41Å; L166-F170 WeakPolarHBondContact O-CD2 3.36Å; L166-F170 PolarHBondContact O-N 2.93Å; N167-F170 CarbonylContact O-C 3.48Å; F170-D172 PolarHBondContact O-N 2.95Å; F170-W173 WeakPolarHBondContact O-CB 3.26Å; F170-W173 PolarHBondContact O-N 2.99Å
171S97.2Very high96.7Very high91 Ų9151.6 Ų51.664%0.63627%0.269SS*.THydrogen-bonded Turntrans-64.5-13.7-171.4610000115.2N167 I168 F169N167-S171 WeakPolarHBondContact O-CA 3.33Å; N167-S171 PolarHBondContact O-N 2.97Å; I168-S171 WeakPolarHBondContact O-CB 3.46Å; F169-S171 VanDerWaalsContact C-N 3.33Å; F169-S171 PolarHBondContact O-N 3.31Å
172D97.6Very high97.1Very high63 Ų6350.8 Ų50.834%0.33726%0.26SS..THydrogen-bonded Turntrans-87.3-4.317764.6-5.6000113F170 A174 T175 K176F170-D172 PolarHBondContact O-N 2.95Å; D172-A174 VanDerWaalsContact C-N 3.32Å; D172-A174 PolarHBondContact O-N 3.37Å; D172-T175 PolarHBondContact O-N 3.23Å; D172-T175 VanDerWaalsContact O-N 3.17Å; D172-K176 HydrophobicContact CB-CB 4.15Å; D172-K176 HydrophobicContact CB-CD 4.05Å; D172-K176 VanDerWaalsContact CG-CD 3.5Å; D172-K176 WeakPolarHBondContact O-CB 3.39Å; D172-K176 PolarHBondContact O-N 3.22Å; D172-K176 WeakPolarHBondContact OD2-CD 3.41Å; D172-K176 WeakPolarHBondContact OD2-CE 3.36Å; D172-K176 IonicContact OD2-NZ 2.84Å; D172-K176 PolarHBondContact OD2-NZ 3.26Å
173W98.4Very high97.3Very high5 Ų552.3 Ų52.32%0.01927%0.271CS..Hα-helixtrans-51-48.4-179.7173.883.4000112.5A121 P123 F131 F170 T175 L180 H181A121-W173 WeakPolarHBondContact O-CZ2 3.41Å; P123-W173 HydrophobicContact CB-CH2 4Å; F131-W173 HydrophobicContact CB-CD2 3.78Å; F131-W173 HydrophobicContact CB-CE3 3.9Å; F131-W173 HydrophobicContact CB-CG 4.47Å; F131-W173 HydrophobicContact CB-CH2 3.87Å; F131-W173 HydrophobicContact CB-CZ2 3.72Å; F131-W173 HydrophobicContact CB-CZ3 3.95Å; F131-W173 HydrophobicContact CD1-CB 3.85Å; F131-W173 AromaticContact CD1-CD2 3.61Å; F131-W173 HydrophobicContact CD1-CD2 3.61Å; F131-W173 AromaticContact CD1-CE3 3.88Å; F131-W173 HydrophobicContact CD1-CE3 3.88Å; F131-W173 AromaticContact CD1-CG 3.57Å; F131-W173 HydrophobicContact CD1-CG 3.57Å; F131-W173 HydrophobicContact CE1-CB 4.09Å; F131-W173 HydrophobicContact CE1-CG 4.23Å; F131-W173 HydrophobicContact CG-CD2 4.16Å; F131-W173 HydrophobicContact CG-CE3 4.41Å; F131-W173 HydrophobicContact CG-CG 4.4Å; F170-W173 WeakPolarHBondContact O-CB 3.26Å; F170-W173 PolarHBondContact O-N 2.99Å; W173-T175 VanDerWaalsContact C-N 3.26Å; W173-T175 PolarHBondContact O-N 2.63Å; W173-L180 PolarHBondContact NE1-O 3.15Å; W173-H181 AromaticContact CE2-CD2 3.91Å; W173-H181 AromaticContact CH2-CD2 3.48Å; W173-H181 VanDerWaalsContact CH2-CD2 3.48Å; W173-H181 WeakPolarHBondContact CH2-CD2 3.42Å; W173-H181 AromaticContact CH2-NE2 3.74Å; W173-H181 HydrophobicContact CZ2-CB 4.41Å; W173-H181 AromaticContact CZ2-CD2 3.34Å; W173-H181 WeakPolarHBondContact CZ2-CD2 3.48Å; W173-H181 AromaticContact CZ2-CG 3.87Å; W173-H181 AromaticContact CZ2-NE2 3.81Å; W173-H181 AromaticContact CZ3-NE2 3.94Å; W173-H181 PolarHBondContact O-CE1 2.95Å
174A97.5Very high97.4Very high32 Ų3253.9 Ų53.926%0.26428%0.278SS..Hα-helixtrans-66-24-174.700000114.3D129 D172D129-A174 HydrophobicContact CB-CB 4.35Å; D129-A174 WeakPolarHBondContact O-CB 3.37Å; D172-A174 VanDerWaalsContact C-N 3.32Å; D172-A174 PolarHBondContact O-N 3.37Å
175T97.6Very high97.5Very high126 Ų12655.6 Ų55.677%0.77329%0.286SS*.Hα-helixtrans-124.3-14.2-16859.90000114.7D172 W173D172-T175 PolarHBondContact O-N 3.23Å; D172-T175 VanDerWaalsContact O-N 3.17Å; W173-T175 VanDerWaalsContact C-N 3.26Å; W173-T175 PolarHBondContact O-N 2.63Å
176K95.5Very high97.6Very high138 Ų13856 Ų5660%0.629%0.288SS*.Hα-helixtrans-85.7-54.4-169.7-179.7170.1176.4-175.60115.1D172D172-K176 HydrophobicContact CB-CB 4.15Å; D172-K176 HydrophobicContact CB-CD 4.05Å; D172-K176 VanDerWaalsContact CG-CD 3.5Å; D172-K176 WeakPolarHBondContact O-CB 3.39Å; D172-K176 PolarHBondContact O-N 3.22Å; D172-K176 WeakPolarHBondContact OD2-CD 3.41Å; D172-K176 WeakPolarHBondContact OD2-CE 3.36Å; D172-K176 IonicContact OD2-NZ 2.84Å; D172-K176 PolarHBondContact OD2-NZ 3.26Å
177D96.8Very high97.6Very high38 Ų3856 Ų5620%0.20329%0.288CS..  trans-150.3117.6-170.5-171.5-12.8000111.7R179 L180 H181D177-R179 PolarHBondContact O-N 3.31Å; D177-R179 VanDerWaalsContact O-N 3.14Å; D177-R179 VanDerWaalsContact OD1-CB 3.28Å; D177-R179 WeakPolarHBondContact OD1-CB 3.46Å; D177-R179 WeakPolarHBondContact OD1-CG 3.38Å; D177-R179 IonicContact OD1-CZ 3.92Å; D177-R179 PolarHBondContact OD1-N 3.17Å; D177-R179 IonicContact OD1-NE 3.04Å; D177-R179 PolarHBondContact OD1-NE 2.83Å; D177-R179 IonicContact OD1-NH2 3.92Å; D177-R179 IonicContact OD2-CZ 3.21Å; D177-R179 IonicContact OD2-NE 2.97Å; D177-R179 PolarHBondContact OD2-NE 3Å; D177-R179 IonicContact OD2-NH2 2.67Å; D177-R179 PolarHBondContact OD2-NH2 3.36Å; D177-L180 HydrophobicContact CB-CD1 4.05Å; D177-L180 HydrophobicContact CB-CG 4.03Å; D177-L180 WeakPolarHBondContact O-CB 3.26Å; D177-L180 PolarHBondContact O-N 3.15Å; D177-H181 PolarHBondContact O-ND1 3.31Å
178I97.7Very high97.5Very high131 Ų13155.7 Ų55.767%0.67229%0.287SS*.G310 helixtrans-61-23.3178.6-168.460.1000112.8L180 H181I178-L180 PolarHBondContact O-N 3.37Å; I178-H181 HydrophobicContact CD1-CB 4.09Å; I178-H181 WeakPolarHBondContact O-CB 3.25Å; I178-H181 PolarHBondContact O-N 2.97Å; I178-H181 VanDerWaalsContact O-N 3.08Å
179R97.7Very high97.3Very high169 Ų16953.1 Ų53.164%0.63827%0.274SS*.G310 helixtrans-67.3-21.1177.5-62.6174-66.3179.71.8112.8R116 D177 H181R116-R179 PolarHBondContact NH1-O 3.14Å; R116-R179 VanDerWaalsContact NH1-O 3.14Å; D177-R179 PolarHBondContact O-N 3.31Å; D177-R179 VanDerWaalsContact O-N 3.14Å; D177-R179 VanDerWaalsContact OD1-CB 3.28Å; D177-R179 WeakPolarHBondContact OD1-CB 3.46Å; D177-R179 WeakPolarHBondContact OD1-CG 3.38Å; D177-R179 IonicContact OD1-CZ 3.92Å; D177-R179 PolarHBondContact OD1-N 3.17Å; D177-R179 IonicContact OD1-NE 3.04Å; D177-R179 PolarHBondContact OD1-NE 2.83Å; D177-R179 IonicContact OD1-NH2 3.92Å; D177-R179 IonicContact OD2-CZ 3.21Å; D177-R179 IonicContact OD2-NE 2.97Å; D177-R179 PolarHBondContact OD2-NE 3Å; D177-R179 IonicContact OD2-NH2 2.67Å; D177-R179 PolarHBondContact OD2-NH2 3.36Å; R179-H181 VanDerWaalsContact C-N 3.34Å
180L97.9Very high96.7Very high18 Ų1851.4 Ų51.49%0.09427%0.268CS..G310 helixtrans-83.2-10.5175-56.3179.4000113E117 S120 A121 W173 D177 I178 L182E117-L180 HydrophobicContact CB-CD2 4.16Å; S120-L180 CarbonylContact C-O 3.57Å; S120-L180 WeakPolarHBondContact CA-O 3.34Å; S120-L180 WeakPolarHBondContact CB-O 3.35Å; S120-L180 WeakPolarHBondContact OG-CA 3.38Å; S120-L180 VanDerWaalsContact OG-CD2 3.31Å; S120-L180 WeakPolarHBondContact OG-CD2 3.28Å; A121-L180 PolarHBondContact N-O 2.97Å; A121-L180 VanDerWaalsContact N-O 3.09Å; W173-L180 PolarHBondContact NE1-O 3.15Å; D177-L180 HydrophobicContact CB-CD1 4.05Å; D177-L180 HydrophobicContact CB-CG 4.03Å; D177-L180 WeakPolarHBondContact O-CB 3.26Å; D177-L180 PolarHBondContact O-N 3.15Å; I178-L180 PolarHBondContact O-N 3.37Å; L180-L182 PolarHBondContact O-N 3.3Å
181H98.4Very high95.7Very high47 Ų4754.2 Ų54.222%0.21828%0.281CS..BIsolated β-bridgetrans-85.8103.2173.8-6871.9000109.1W173 D177 I178 R179W173-H181 AromaticContact CE2-CD2 3.91Å; W173-H181 AromaticContact CH2-CD2 3.48Å; W173-H181 VanDerWaalsContact CH2-CD2 3.48Å; W173-H181 WeakPolarHBondContact CH2-CD2 3.42Å; W173-H181 AromaticContact CH2-NE2 3.74Å; W173-H181 HydrophobicContact CZ2-CB 4.41Å; W173-H181 AromaticContact CZ2-CD2 3.34Å; W173-H181 WeakPolarHBondContact CZ2-CD2 3.48Å; W173-H181 AromaticContact CZ2-CG 3.87Å; W173-H181 AromaticContact CZ2-NE2 3.81Å; W173-H181 AromaticContact CZ3-NE2 3.94Å; W173-H181 PolarHBondContact O-CE1 2.95Å; D177-H181 PolarHBondContact O-ND1 3.31Å; I178-H181 HydrophobicContact CD1-CB 4.09Å; I178-H181 WeakPolarHBondContact O-CB 3.25Å; I178-H181 PolarHBondContact O-N 2.97Å; I178-H181 VanDerWaalsContact O-N 3.08Å; R179-H181 VanDerWaalsContact C-N 3.34Å
182L98.5Very high94.6Very high3 Ų350.5 Ų50.52%0.01626%0.256CS..  trans-65.6137.4171.2-57.9-176.7000108.9L113 R116 A121 A122 V137 L180 F184L113-L182 HydrophobicContact CD2-CD1 3.83Å; L113-L182 HydrophobicContact CD2-CD2 3.7Å; L113-L182 HydrophobicContact CD2-CG 4.34Å; R116-L182 HydrophobicContact CB-CD2 4.43Å; R116-L182 HydrophobicContact CG-CD2 3.75Å; A121-L182 PolarHBondContact O-N 2.83Å; A122-L182 HydrophobicContact CB-CB 4.24Å; V137-L182 HydrophobicContact CG2-CD1 4.46Å; L180-L182 PolarHBondContact O-N 3.3Å; L182-F184 PolarHBondContact O-N 2.84Å
183P98Very high93.6Very high57 Ų5747.5 Ų47.537%0.3724%0.24SC..  trans-53.8139.1169.5-27.335.6000111.1I185 Y186P183-I185 HydrophobicContact CB-CD1 4.4Å; P183-I185 HydrophobicContact CB-CG1 3.79Å; P183-I185 PolarHBondContact O-N 3.32Å; P183-Y186 HydrophobicContact CB-CD2 3.99Å; P183-Y186 HydrophobicContact CB-CE2 4.21Å; P183-Y186 HydrophobicContact CG-CD2 4.15Å; P183-Y186 HydrophobicContact CG-CE2 4.01Å; P183-Y186 WeakPolarHBondContact O-CD2 3.48Å; P183-Y186 PolarHBondContact O-N 2.84Å
184F97.4Very high92.7Very high68 Ų6852.1 Ų52.130%0.29826%0.258SS..G310 helixtrans-52.7-28.1-177.5-171-116.4000113.7P123 P125 L182 Y186 N187 V188 I189 A192P123-F184 HydrophobicContact CG-CD2 4.41Å; P125-F184 HydrophobicContact CB-CE2 4.44Å; P125-F184 HydrophobicContact CB-CZ 4.45Å; P125-F184 HydrophobicContact CG-CE2 4.25Å; P125-F184 HydrophobicContact CG-CZ 4.29Å; L182-F184 PolarHBondContact O-N 2.84Å; F184-Y186 PolarHBondContact O-N 2.98Å; F184-N187 CarbonylContact O-C 3.51Å; F184-N187 VanDerWaalsContact O-C 3.26Å; F184-N187 PolarHBondContact O-N 2.82Å; F184-V188 HydrophobicContact CD1-CG2 4.14Å; F184-V188 HydrophobicContact CE1-CB 4.39Å; F184-V188 HydrophobicContact CE1-CG1 3.93Å; F184-V188 HydrophobicContact CE1-CG2 4.29Å; F184-V188 HydrophobicContact CZ-CG1 4.48Å; F184-V188 WeakPolarHBondContact O-CG2 3.31Å; F184-V188 PolarHBondContact O-N 2.67Å; F184-I189 HydrophobicContact CZ-CG1 4.28Å; F184-A192 HydrophobicContact CE1-CB 3.81Å; F184-A192 HydrophobicContact CZ-CB 3.86Å
185I97.4Very high92.1Very high36 Ų3654.3 Ų54.319%0.18527%0.271CS..G310 helixtrans-58.6-16.3175.359.8168000115.1P183 K206 R208 V209P183-I185 HydrophobicContact CB-CD1 4.4Å; P183-I185 HydrophobicContact CB-CG1 3.79Å; P183-I185 PolarHBondContact O-N 3.32Å; I185-K206 WeakPolarHBondContact CB-O 3.28Å; I185-K206 WeakPolarHBondContact CD1-O 3.46Å; I185-K206 HydrophobicContact CG2-CB 4.18Å; I185-R208 HydrophobicContact CD1-CG 4.31Å; I185-R208 PolarHBondContact O-N 3.29Å; I185-V209 PolarHBondContact O-N 2.94Å
186Y98.6Very high91.6Very high8 Ų855.6 Ų55.63%0.03126%0.263CS..G310 helixtrans-89.5-1.9174.4-70.6-87.2000113.8I110 D112 L113 P183 F184 R208 V209I110-Y186 HydrophobicContact CB-CD1 4.22Å; I110-Y186 HydrophobicContact CB-CE1 4.08Å; I110-Y186 HydrophobicContact CG2-CD1 3.67Å; I110-Y186 HydrophobicContact CG2-CE1 3.69Å; D112-Y186 PolarHBondContact OD1-OH 3.01Å; D112-Y186 VanDerWaalsContact OD1-OH 3.1Å; D112-Y186 PolarHBondContact OD2-OH 3.45Å; L113-Y186 HydrophobicContact CD1-CD1 3.84Å; L113-Y186 HydrophobicContact CD1-CE1 4.3Å; L113-Y186 HydrophobicContact CD2-CD1 3.47Å; L113-Y186 VanDerWaalsContact CD2-CD1 3.47Å; L113-Y186 HydrophobicContact CD2-CD2 4.39Å; L113-Y186 HydrophobicContact CD2-CE1 3.59Å; L113-Y186 HydrophobicContact CD2-CG 3.88Å; L113-Y186 HydrophobicContact CG-CD1 3.68Å; L113-Y186 HydrophobicContact CG-CE1 3.68Å; P183-Y186 HydrophobicContact CB-CD2 3.99Å; P183-Y186 HydrophobicContact CB-CE2 4.21Å; P183-Y186 HydrophobicContact CG-CD2 4.15Å; P183-Y186 HydrophobicContact CG-CE2 4.01Å; P183-Y186 WeakPolarHBondContact O-CD2 3.48Å; P183-Y186 PolarHBondContact O-N 2.84Å; F184-Y186 PolarHBondContact O-N 2.98Å; Y186-R208 PolarHBondContact OH-NH1 3.09Å; Y186-R208 VanDerWaalsContact OH-NH1 3.07Å; Y186-R208 PolarHBondContact OH-NH2 2.86Å; Y186-V209 VanDerWaalsContact O-CB 3.26Å; Y186-V209 WeakPolarHBondContact O-CB 3.42Å; Y186-V209 WeakPolarHBondContact O-CG2 3.21Å
187N98.1Very high91.2Very high2 Ų251 Ų511%0.01125%0.247CC..SBendtrans-159.860.3176-168.31.1000110.2A122 N132 V135 F184 I189 H211A122-N187 HydrophobicContact CB-CB 3.65Å; N132-N187 PolarHBondContact OD1-ND2 3.29Å; V135-N187 HydrophobicContact CB-CB 4.05Å; V135-N187 HydrophobicContact CG2-CB 4.06Å; V135-N187 PolarHBondContact N-ND2 3.16Å; F184-N187 CarbonylContact O-C 3.51Å; F184-N187 VanDerWaalsContact O-C 3.26Å; F184-N187 PolarHBondContact O-N 2.82Å; N187-I189 PolarHBondContact O-N 2.59Å; N187-H211 WeakPolarHBondContact OD1-CB 3.32Å; N187-H211 PolarHBondContact OD1-ND1 2.89Å
188V95.4Very high90.9Very high5 Ų553.3 Ų53.33%0.0326%0.264CS..EExtended strand (participates in β ladder)trans-79.6107.4-178.4-176.30000108.9F184 A192 F193 I207 V209 V210 H211F184-V188 HydrophobicContact CD1-CG2 4.14Å; F184-V188 HydrophobicContact CE1-CB 4.39Å; F184-V188 HydrophobicContact CE1-CG1 3.93Å; F184-V188 HydrophobicContact CE1-CG2 4.29Å; F184-V188 HydrophobicContact CZ-CG1 4.48Å; F184-V188 WeakPolarHBondContact O-CG2 3.31Å; F184-V188 PolarHBondContact O-N 2.67Å; V188-A192 HydrophobicContact CG1-CB 4.13Å; V188-F193 HydrophobicContact CG1-CD1 4.2Å; V188-F193 HydrophobicContact CG1-CE1 3.62Å; V188-I207 HydrophobicContact CB-CG2 4.18Å; V188-I207 HydrophobicContact CG1-CD1 4.25Å; V188-I207 HydrophobicContact CG2-CB 4.48Å; V188-I207 HydrophobicContact CG2-CD1 4.39Å; V188-I207 HydrophobicContact CG2-CG1 4.08Å; V188-I207 HydrophobicContact CG2-CG2 3.88Å; V188-V209 PolarHBondContact N-O 3.46Å; V188-V210 CarbonylContact O-C 3.52Å; V188-V210 WeakPolarHBondContact O-CA 3.37Å; V188-H211 PolarHBondContact O-N 2.68Å
189I92.6Very high90.6Very high4 Ų448.2 Ų48.22%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-67.5146.117765156.7000111.4P125 F184 N187 Q191 A192 H211 I213P125-I189 HydrophobicContact CB-CD1 4.41Å; P125-I189 HydrophobicContact CG-CD1 3.08Å; P125-I189 HydrophobicContact CG-CG1 3.58Å; F184-I189 HydrophobicContact CZ-CG1 4.28Å; N187-I189 PolarHBondContact O-N 2.59Å; I189-Q191 HydrophobicContact CD1-CB 3.86Å; I189-Q191 HydrophobicContact CD1-CG 4.45Å; I189-Q191 HydrophobicContact CG1-CB 4.5Å; I189-Q191 PolarHBondContact O-N 3.27Å; I189-Q191 VanDerWaalsContact O-N 3.15Å; I189-A192 HydrophobicContact CG1-CB 4.12Å; I189-A192 VanDerWaalsContact O-CB 3.24Å; I189-A192 WeakPolarHBondContact O-CB 3.39Å; I189-A192 PolarHBondContact O-N 3.33Å; I189-H211 CarbonylContact C-O 3.26Å; I189-H211 VanDerWaalsContact CA-O 3.29Å; I189-H211 WeakPolarHBondContact CA-O 3.47Å; I189-H211 HydrophobicContact CG2-CB 4.36Å; I189-I213 HydrophobicContact CB-CD1 3.93Å; I189-I213 HydrophobicContact CB-CG1 4.05Å; I189-I213 HydrophobicContact CB-CG2 4.13Å; I189-I213 HydrophobicContact CD1-CD1 3.5Å; I189-I213 HydrophobicContact CD1-CG1 4.39Å; I189-I213 HydrophobicContact CG1-CD1 4.32Å; I189-I213 HydrophobicContact CG2-CD1 4.25Å; I189-I213 HydrophobicContact CG2-CG2 3.84Å
190S85.1Confident90.2Very high16 Ų1641 Ų4111%0.11222%0.215CC..THydrogen-bonded Turntrans-55.6-32.3179.652.40000113.4A192 F193 H211 I213S190-A192 PolarHBondContact O-N 2.69Å; S190-F193 WeakPolarHBondContact O-CB 3.3Å; S190-F193 WeakPolarHBondContact O-CD2 3.38Å; S190-F193 WeakPolarHBondContact O-CG 3.14Å; S190-F193 PolarHBondContact O-N 3.01Å; S190-H211 PolarHBondContact N-O 2.78Å; S190-I213 PolarHBondContact OG-N 2.97Å; S190-I213 PolarHBondContact OG-O 3.04Å; S190-I213 VanDerWaalsContact OG-O 3.13Å
191Q77.5Confident89.8Confident82 Ų8244.6 Ų44.638%0.38323%0.234SC..THydrogen-bonded Turntrans-66.3-26.3177.7-59.3-178.1-2.700113.7I189 F193 Y194 S195 I213I189-Q191 HydrophobicContact CD1-CB 3.86Å; I189-Q191 HydrophobicContact CD1-CG 4.45Å; I189-Q191 HydrophobicContact CG1-CB 4.5Å; I189-Q191 PolarHBondContact O-N 3.27Å; I189-Q191 VanDerWaalsContact O-N 3.15Å; Q191-F193 PolarHBondContact O-N 2.86Å; Q191-F193 VanDerWaalsContact O-N 3.15Å; Q191-Y194 HydrophobicContact CB-CE1 3.86Å; Q191-Y194 HydrophobicContact CG-CE1 4.08Å; Q191-Y194 WeakPolarHBondContact CG-OH 3.2Å; Q191-Y194 WeakPolarHBondContact O-CD1 3.47Å; Q191-Y194 PolarHBondContact O-N 2.97Å; Q191-S195 WeakPolarHBondContact O-CB 3.27Å; Q191-S195 PolarHBondContact O-N 2.83Å; Q191-S195 PolarHBondContact O-OG 2.91Å; Q191-I213 HydrophobicContact CB-CD1 4.5Å; Q191-I213 HydrophobicContact CG-CD1 3.81Å; Q191-I213 HydrophobicContact CG-CG1 3.93Å
192A72.4Confident89.5Confident12 Ų1248.5 Ų48.510%0.09925%0.252CS..Hα-helixtrans-63.2-21.5178.400000112.4F184 V188 I189 S190 Y194 S195F184-A192 HydrophobicContact CE1-CB 3.81Å; F184-A192 HydrophobicContact CZ-CB 3.86Å; V188-A192 HydrophobicContact CG1-CB 4.13Å; I189-A192 HydrophobicContact CG1-CB 4.12Å; I189-A192 VanDerWaalsContact O-CB 3.24Å; I189-A192 WeakPolarHBondContact O-CB 3.39Å; I189-A192 PolarHBondContact O-N 3.33Å; S190-A192 PolarHBondContact O-N 2.69Å; A192-Y194 PolarHBondContact O-N 2.86Å; A192-S195 WeakPolarHBondContact CA-OG 3.36Å
193F77.9Confident89.3Confident0 Ų053 Ų530%027%0.272CS..Hα-helixtrans-68.1-27.4-178.1-46.7-36.2000112.6V188 S190 Q191 F200 I207 V210 V237 F242V188-F193 HydrophobicContact CG1-CD1 4.2Å; V188-F193 HydrophobicContact CG1-CE1 3.62Å; S190-F193 WeakPolarHBondContact O-CB 3.3Å; S190-F193 WeakPolarHBondContact O-CD2 3.38Å; S190-F193 WeakPolarHBondContact O-CG 3.14Å; S190-F193 PolarHBondContact O-N 3.01Å; Q191-F193 PolarHBondContact O-N 2.86Å; Q191-F193 VanDerWaalsContact O-N 3.15Å; F193-F200 HydrophobicContact CB-CD2 4.42Å; F193-F200 HydrophobicContact CB-CE2 4.41Å; F193-F200 AromaticContact CD1-CD2 3.54Å; F193-F200 HydrophobicContact CD1-CD2 3.54Å; F193-F200 AromaticContact CD1-CE2 3.35Å; F193-F200 HydrophobicContact CD1-CE2 3.35Å; F193-F200 HydrophobicContact CD1-CG 4.44Å; F193-F200 HydrophobicContact CD1-CZ 4.12Å; F193-F200 HydrophobicContact CE1-CD2 4.21Å; F193-F200 AromaticContact CE1-CE2 3.74Å; F193-F200 HydrophobicContact CE1-CE2 3.74Å; F193-F200 HydrophobicContact CG-CD2 4.4Å; F193-F200 HydrophobicContact CG-CE2 4.14Å; F193-I207 HydrophobicContact CE1-CD1 4.43Å; F193-V210 HydrophobicContact CE2-CG1 4.14Å; F193-V210 HydrophobicContact CZ-CB 4.42Å; F193-V210 HydrophobicContact CZ-CG1 3.61Å; F193-V210 HydrophobicContact CZ-CG2 4Å; F193-V237 CarbonylContact C-O 3.6Å; F193-V237 WeakPolarHBondContact CB-O 3.38Å; F193-F242 HydrophobicContact CD1-CE2 4.2Å; F193-F242 HydrophobicContact CD2-CD2 4.26Å; F193-F242 AromaticContact CE1-CD2 3.87Å; F193-F242 HydrophobicContact CE1-CD2 3.87Å; F193-F242 AromaticContact CE1-CE2 3.58Å; F193-F242 HydrophobicContact CE1-CE2 3.58Å; F193-F242 AromaticContact CE2-CD2 3.47Å; F193-F242 HydrophobicContact CE2-CD2 3.47Å; F193-F242 VanDerWaalsContact CE2-CD2 3.47Å; F193-F242 HydrophobicContact CE2-CE2 4.01Å; F193-F242 HydrophobicContact CE2-CG 4.45Å; F193-F242 AromaticContact CZ-CD2 3.23Å; F193-F242 HydrophobicContact CZ-CD2 3.23Å; F193-F242 AromaticContact CZ-CE2 3.46Å; F193-F242 HydrophobicContact CZ-CE2 3.46Å; F193-F242 VanDerWaalsContact CZ-CE2 3.46Å; F193-F242 HydrophobicContact CZ-CG 4.17Å
194Y78.3Confident88.9Confident102 Ų10255.5 Ų55.540%0.427%0.274SS..Hα-helixtrans-112.6-24.1176.867.5-100.2000114.5Q191 A192 P197 S236Q191-Y194 HydrophobicContact CB-CE1 3.86Å; Q191-Y194 HydrophobicContact CG-CE1 4.08Å; Q191-Y194 WeakPolarHBondContact CG-OH 3.2Å; Q191-Y194 WeakPolarHBondContact O-CD1 3.47Å; Q191-Y194 PolarHBondContact O-N 2.97Å; A192-Y194 PolarHBondContact O-N 2.86Å; Y194-P197 WeakPolarHBondContact O-CD 3.34Å; Y194-P197 WeakPolarHBondContact O-CG 3.45Å; Y194-S236 VanDerWaalsContact CD1-OG 3.32Å; Y194-S236 WeakPolarHBondContact CD1-OG 3.37Å
195S84.8Confident88.8Confident78 Ų7858 Ų5855%0.54529%0.29SS..Hα-helixtrans-73.3-30.8-17769.80000113Q191 A192Q191-S195 WeakPolarHBondContact O-CB 3.27Å; Q191-S195 PolarHBondContact O-N 2.83Å; Q191-S195 PolarHBondContact O-OG 2.91Å; A192-S195 WeakPolarHBondContact CA-OG 3.36Å
196Y87.8Confident88.7Confident153 Ų15361.6 Ų61.660%0.630%0.304SS*.SBendtrans-139.470.4174.4-162.8-175.4000112.9P198 A199 F200Y196-P198 HydrophobicContact CD2-CB 4.41Å; Y196-P198 HydrophobicContact CD2-CG 4.33Å; Y196-P198 HydrophobicContact CE2-CB 4.1Å; Y196-P198 HydrophobicContact CE2-CG 4.21Å; Y196-A199 HydrophobicContact CD1-CB 3.48Å; Y196-A199 VanDerWaalsContact CD1-CB 3.48Å; Y196-A199 HydrophobicContact CD2-CB 4.15Å; Y196-A199 HydrophobicContact CE1-CB 3.75Å; Y196-A199 HydrophobicContact CE2-CB 4.35Å; Y196-A199 HydrophobicContact CG-CB 3.7Å; Y196-A199 PolarHBondContact O-N 3.14Å; Y196-A199 VanDerWaalsContact O-N 3.09Å; Y196-F200 PolarHBondContact O-N 3.46Å
197P86.6Confident88.6Confident41 Ų4161.5 Ų61.527%0.26631%0.305SS..Hα-helixtrans-57.2-39.2-173-23.233.8000115.1Y194 A199 F200 I201Y194-P197 WeakPolarHBondContact O-CD 3.34Å; Y194-P197 WeakPolarHBondContact O-CG 3.45Å; P197-A199 PolarHBondContact O-N 3.19Å; P197-F200 PolarHBondContact O-N 2.85Å; P197-I201 WeakPolarHBondContact O-CB 3.43Å; P197-I201 VanDerWaalsContact O-CG1 3.28Å; P197-I201 WeakPolarHBondContact O-CG1 3.5Å; P197-I201 PolarHBondContact O-N 3.27Å
198P90.6Very high88.6Confident87 Ų8764.3 Ų64.357%0.56532%0.315SS*.Hα-helixtrans-56.4-44.7174-28.435000113.8Y196 H202Y196-P198 HydrophobicContact CD2-CB 4.41Å; Y196-P198 HydrophobicContact CD2-CG 4.33Å; Y196-P198 HydrophobicContact CE2-CB 4.1Å; Y196-P198 HydrophobicContact CE2-CG 4.21Å; P198-H202 WeakPolarHBondContact O-CB 3.47Å; P198-H202 PolarHBondContact O-N 3.47Å; P198-H202 VanDerWaalsContact O-N 3.07Å
199A91.4Very high88.7Confident25 Ų2564.1 Ų64.121%0.20731%0.314CS..Hα-helixtrans-68.5-43.5177.400000110.7Y196 P197 I201 H202 F203Y196-A199 HydrophobicContact CD1-CB 3.48Å; Y196-A199 VanDerWaalsContact CD1-CB 3.48Å; Y196-A199 HydrophobicContact CD2-CB 4.15Å; Y196-A199 HydrophobicContact CE1-CB 3.75Å; Y196-A199 HydrophobicContact CE2-CB 4.35Å; Y196-A199 HydrophobicContact CG-CB 3.7Å; Y196-A199 PolarHBondContact O-N 3.14Å; Y196-A199 VanDerWaalsContact O-N 3.09Å; P197-A199 PolarHBondContact O-N 3.19Å; A199-I201 PolarHBondContact O-N 3.37Å; A199-H202 PolarHBondContact O-N 2.98Å; A199-F203 HydrophobicContact CB-CD2 4.38Å; A199-F203 WeakPolarHBondContact O-CB 3.44Å; A199-F203 VanDerWaalsContact O-CD2 3.23Å; A199-F203 WeakPolarHBondContact O-CD2 3.02Å; A199-F203 PolarHBondContact O-N 2.8Å
200F89.6Confident88.9Confident16 Ų1663.9 Ų63.97%0.0731%0.313CS..Hα-helixtrans-55.4-53.1175175.1-109.2000111.2F193 Y196 P197 H202 F203 R204 I207 V237 F242F193-F200 HydrophobicContact CB-CD2 4.42Å; F193-F200 HydrophobicContact CB-CE2 4.41Å; F193-F200 AromaticContact CD1-CD2 3.54Å; F193-F200 HydrophobicContact CD1-CD2 3.54Å; F193-F200 AromaticContact CD1-CE2 3.35Å; F193-F200 HydrophobicContact CD1-CE2 3.35Å; F193-F200 HydrophobicContact CD1-CG 4.44Å; F193-F200 HydrophobicContact CD1-CZ 4.12Å; F193-F200 HydrophobicContact CE1-CD2 4.21Å; F193-F200 AromaticContact CE1-CE2 3.74Å; F193-F200 HydrophobicContact CE1-CE2 3.74Å; F193-F200 HydrophobicContact CG-CD2 4.4Å; F193-F200 HydrophobicContact CG-CE2 4.14Å; Y196-F200 PolarHBondContact O-N 3.46Å; P197-F200 PolarHBondContact O-N 2.85Å; F200-H202 VanDerWaalsContact C-N 3.32Å; F200-H202 PolarHBondContact O-N 2.85Å; F200-F203 PolarHBondContact O-N 3.12Å; F200-R204 HydrophobicContact CE2-CG 4.34Å; F200-R204 HydrophobicContact CZ-CG 4.02Å; F200-R204 VanDerWaalsContact O-CA 3.31Å; F200-R204 WeakPolarHBondContact O-CA 3.26Å; F200-R204 WeakPolarHBondContact O-CB 3.48Å; F200-R204 PolarHBondContact O-N 3.26Å; F200-I207 HydrophobicContact CD2-CD1 4.05Å; F200-I207 HydrophobicContact CE2-CD1 3.66Å; F200-V237 HydrophobicContact CD1-CG1 4.48Å; F200-V237 HydrophobicContact CE1-CG1 4.48Å; F200-F242 AromaticContact CE2-CE2 3.66Å; F200-F242 HydrophobicContact CE2-CE2 3.66Å; F200-F242 HydrophobicContact CE2-CZ 4.07Å; F200-F242 AromaticContact CZ-CE2 3.68Å; F200-F242 HydrophobicContact CZ-CE2 3.68Å; F200-F242 HydrophobicContact CZ-CZ 4.14Å
201I89Confident89.5Confident94 Ų9463.6 Ų63.648%0.48231%0.309SS..Hα-helixtrans-57.6-44179.2-68.7166.2000111.3P197 A199P197-I201 WeakPolarHBondContact O-CB 3.43Å; P197-I201 VanDerWaalsContact O-CG1 3.28Å; P197-I201 WeakPolarHBondContact O-CG1 3.5Å; P197-I201 PolarHBondContact O-N 3.27Å; A199-I201 PolarHBondContact O-N 3.37Å
202H92.5Very high90.2Very high130 Ų13060 Ų6060%0.60229%0.292SS*.Hα-helixtrans-66.8-41.5-179-173.889.8000112.9P198 A199 F200P198-H202 WeakPolarHBondContact O-CB 3.47Å; P198-H202 PolarHBondContact O-N 3.47Å; P198-H202 VanDerWaalsContact O-N 3.07Å; A199-H202 PolarHBondContact O-N 2.98Å; F200-H202 VanDerWaalsContact C-N 3.32Å; F200-H202 PolarHBondContact O-N 2.85Å
203F93.3Very high91Very high97 Ų9761.2 Ų61.243%0.42530%0.297SS..Hα-helixtrans-99.3-3.5-174.9-64.1-69.9000114.4A199 F200 N205 K206A199-F203 HydrophobicContact CB-CD2 4.38Å; A199-F203 WeakPolarHBondContact O-CB 3.44Å; A199-F203 VanDerWaalsContact O-CD2 3.23Å; A199-F203 WeakPolarHBondContact O-CD2 3.02Å; A199-F203 PolarHBondContact O-N 2.8Å; F200-F203 PolarHBondContact O-N 3.12Å; F203-N205 VanDerWaalsContact C-N 3.28Å; F203-N205 PolarHBondContact O-N 3.05Å; F203-N205 VanDerWaalsContact O-N 3.14Å; F203-K206 HydrophobicContact CD1-CD 4.27Å; F203-K206 WeakPolarHBondContact O-CA 3.32Å; F203-K206 WeakPolarHBondContact O-CB 3.44Å; F203-K206 PolarHBondContact O-N 3.39Å
204R91.4Very high91.2Very high109 Ų10963.2 Ų63.241%0.41132%0.318SS..G310 helixtrans-45.4-49-176.7-176.4177.3175.3-141.65.3113F200 K206 I207 E241F200-R204 HydrophobicContact CE2-CG 4.34Å; F200-R204 HydrophobicContact CZ-CG 4.02Å; F200-R204 VanDerWaalsContact O-CA 3.31Å; F200-R204 WeakPolarHBondContact O-CA 3.26Å; F200-R204 WeakPolarHBondContact O-CB 3.48Å; F200-R204 PolarHBondContact O-N 3.26Å; R204-K206 PolarHBondContact O-N 2.67Å; R204-I207 WeakPolarHBondContact O-CG1 3.47Å; R204-I207 PolarHBondContact O-N 3.33Å; R204-E241 IonicContact CZ-OE1 3.32Å; R204-E241 IonicContact CZ-OE2 3.52Å; R204-E241 VanDerWaalsContact CZ-OE2 3.3Å; R204-E241 IonicContact NE-OE1 3.51Å; R204-E241 PolarHBondContact NE-OE1 3.2Å; R204-E241 IonicContact NE-OE2 2.85Å; R204-E241 PolarHBondContact NE-OE2 3.45Å; R204-E241 IonicContact NH2-OE1 2.82Å; R204-E241 PolarHBondContact NH2-OE1 2.88Å; R204-E241 IonicContact NH2-OE2 3.18Å; R204-E241 PolarHBondContact NH2-OE2 3.1Å
205N93.4Very high91.3Very high121 Ų12163.1 Ų63.165%0.64733%0.332SS*.G310 helixtrans-74.46-178.9-63.4-23.2000114.1R108 F203R108-N205 PolarHBondContact NH1-O 3.46Å; R108-N205 PolarHBondContact NH2-O 2.98Å; F203-N205 VanDerWaalsContact C-N 3.28Å; F203-N205 PolarHBondContact O-N 3.05Å; F203-N205 VanDerWaalsContact O-N 3.14Å
206K96.3Very high91.3Very high111 Ų11165.4 Ų65.448%0.48333%0.334SS..G310 helixtrans-115.1-8.4175.7-59.2-174.2-173.4171.20112.6I185 F203 R204 R208I185-K206 WeakPolarHBondContact CB-O 3.28Å; I185-K206 WeakPolarHBondContact CD1-O 3.46Å; I185-K206 HydrophobicContact CG2-CB 4.18Å; F203-K206 HydrophobicContact CD1-CD 4.27Å; F203-K206 WeakPolarHBondContact O-CA 3.32Å; F203-K206 WeakPolarHBondContact O-CB 3.44Å; F203-K206 PolarHBondContact O-N 3.39Å; R204-K206 PolarHBondContact O-N 2.67Å; K206-R208 PolarHBondContact O-N 3.47Å
207I96.2Very high91.4Very high7 Ų759 Ų594%0.03631%0.309CS..  trans-58.2130.8178.5-59179.7000109.1L107 V188 F193 F200 R204 V210 F242L107-I207 HydrophobicContact CD1-CB 4.41Å; L107-I207 HydrophobicContact CD1-CG2 3.93Å; V188-I207 HydrophobicContact CB-CG2 4.18Å; V188-I207 HydrophobicContact CG1-CD1 4.25Å; V188-I207 HydrophobicContact CG2-CB 4.48Å; V188-I207 HydrophobicContact CG2-CD1 4.39Å; V188-I207 HydrophobicContact CG2-CG1 4.08Å; V188-I207 HydrophobicContact CG2-CG2 3.88Å; F193-I207 HydrophobicContact CE1-CD1 4.43Å; F200-I207 HydrophobicContact CD2-CD1 4.05Å; F200-I207 HydrophobicContact CE2-CD1 3.66Å; R204-I207 WeakPolarHBondContact O-CG1 3.47Å; R204-I207 PolarHBondContact O-N 3.33Å; I207-V210 HydrophobicContact CG2-CG2 3.73Å; I207-F242 HydrophobicContact CD1-CE2 4.38Å; I207-F242 HydrophobicContact CD1-CZ 3.89Å
208R98.1Very high91.6Very high61 Ų6157 Ų5723%0.2330%0.297CS..  trans-111.7-34178.4-59.6-164.6-177.1-168.516.8112.3L107 R108 N109 I110 D112 I185 Y186 K206L107-R208 PolarHBondContact N-O 2.88Å; R108-R208 HydrophobicContact CB-CB 4.31Å; R108-R208 HydrophobicContact CB-CG 4.14Å; R108-R208 PolarHBondContact N-O 3.09Å; N109-R208 PolarHBondContact O-NH1 3.08Å; I110-R208 HydrophobicContact CG2-CB 3.77Å; D112-R208 IonicContact OD1-NH1 2.78Å; D112-R208 PolarHBondContact OD1-NH1 3.04Å; D112-R208 IonicContact OD2-CZ 3.31Å; D112-R208 IonicContact OD2-NH1 3.32Å; D112-R208 PolarHBondContact OD2-NH1 3.06Å; D112-R208 IonicContact OD2-NH2 3.31Å; D112-R208 PolarHBondContact OD2-NH2 3.18Å; I185-R208 HydrophobicContact CD1-CG 4.31Å; I185-R208 PolarHBondContact O-N 3.29Å; Y186-R208 PolarHBondContact OH-NH1 3.09Å; Y186-R208 VanDerWaalsContact OH-NH1 3.07Å; Y186-R208 PolarHBondContact OH-NH2 2.86Å; K206-R208 PolarHBondContact O-N 3.47Å
209V98.4Very high91.6Very high0 Ų053 Ų530%027%0.27CS..EExtended strand (participates in β ladder)trans-134.3133.3176.5-174.30000109.1M100 T104 V105 V106 I110 V135 I185 Y186 V188M100-V209 HydrophobicContact CE-CB 4.46Å; M100-V209 HydrophobicContact CE-CG1 3.59Å; M100-V209 HydrophobicContact CE-CG2 3.98Å; T104-V209 HydrophobicContact CG2-CG1 4.44Å; V105-V209 WeakPolarHBondContact O-CA 3.46Å; V106-V209 HydrophobicContact CG2-CG2 4.48Å; I110-V209 HydrophobicContact CD1-CG2 3.88Å; I110-V209 HydrophobicContact CG2-CG2 4.04Å; V135-V209 HydrophobicContact CG2-CG1 4.16Å; I185-V209 PolarHBondContact O-N 2.94Å; Y186-V209 VanDerWaalsContact O-CB 3.26Å; Y186-V209 WeakPolarHBondContact O-CB 3.42Å; Y186-V209 WeakPolarHBondContact O-CG2 3.21Å; V188-V209 PolarHBondContact N-O 3.46Å
210V96.7Very high91.5Very high0 Ų055 Ų550%028%0.275CS..EExtended strand (participates in β ladder)trans-106.7137.3170.51690000108.6T104 V105 L107 V188 F193 I207 F212 F242T104-V210 CarbonylContact C-O 3.34Å; T104-V210 WeakPolarHBondContact CA-O 3.22Å; V105-V210 HydrophobicContact CG1-CB 3.83Å; V105-V210 HydrophobicContact CG1-CG1 4.42Å; V105-V210 PolarHBondContact N-O 3.08Å; V105-V210 PolarHBondContact O-N 2.85Å; L107-V210 HydrophobicContact CD1-CG2 3.88Å; L107-V210 HydrophobicContact CG-CG2 4.5Å; V188-V210 CarbonylContact O-C 3.52Å; V188-V210 WeakPolarHBondContact O-CA 3.37Å; F193-V210 HydrophobicContact CE2-CG1 4.14Å; F193-V210 HydrophobicContact CZ-CB 4.42Å; F193-V210 HydrophobicContact CZ-CG1 3.61Å; F193-V210 HydrophobicContact CZ-CG2 4Å; I207-V210 HydrophobicContact CG2-CG2 3.73Å; V210-F212 HydrophobicContact CG1-CD1 4.14Å; V210-F212 HydrophobicContact CG1-CD2 4.33Å; V210-F212 HydrophobicContact CG1-CE1 3.75Å; V210-F212 HydrophobicContact CG1-CE2 3.97Å; V210-F212 HydrophobicContact CG1-CG 4.42Å; V210-F212 HydrophobicContact CG1-CZ 3.66Å; V210-F242 HydrophobicContact CG1-CB 4.18Å; V210-F242 HydrophobicContact CG1-CG 4.41Å; V210-F242 HydrophobicContact CG2-CB 4.31Å; V210-F242 HydrophobicContact CG2-CD1 3.75Å; V210-F242 HydrophobicContact CG2-CD2 4.11Å; V210-F242 HydrophobicContact CG2-CE1 4.05Å; V210-F242 HydrophobicContact CG2-CE2 4.37Å; V210-F242 HydrophobicContact CG2-CG 3.79Å; V210-F242 HydrophobicContact CG2-CZ 4.34Å
211H96.6Very high91.3Very high9 Ų955.6 Ų55.64%0.04228%0.28CS..EExtended strand (participates in β ladder)trans-120109.2-179.9-178.4-172.7000109.7D103 T104 N132 N187 V188 I189 S190 I213D103-H211 IonicContact OD1-CD2 2.82Å; D103-H211 PolarHBondContact OD1-CD2 2.95Å; D103-H211 IonicContact OD1-NE2 2.67Å; D103-H211 PolarHBondContact OD1-NE2 2.73Å; T104-H211 HydrophobicContact CG2-CB 3.96Å; N132-H211 PolarHBondContact OD1-CE1 2.78Å; N132-H211 PolarHBondContact OD1-ND1 3.29Å; N187-H211 WeakPolarHBondContact OD1-CB 3.32Å; N187-H211 PolarHBondContact OD1-ND1 2.89Å; V188-H211 PolarHBondContact O-N 2.68Å; I189-H211 CarbonylContact C-O 3.26Å; I189-H211 VanDerWaalsContact CA-O 3.29Å; I189-H211 WeakPolarHBondContact CA-O 3.47Å; I189-H211 HydrophobicContact CG2-CB 4.36Å; S190-H211 PolarHBondContact N-O 2.78Å; H211-I213 VanDerWaalsContact C-N 3.29Å; H211-I213 WeakPolarHBondContact NE2-CG2 3.39Å; H211-I213 PolarHBondContact O-N 3.18Å
212F93.4Very high91Very high6 Ų652.5 Ų52.53%0.02627%0.272CS..  trans-81.974.4-177.1-59.7-78.5000111.1D103 V105 V210 K217 P218 F242 L243 W246D103-F212 WeakPolarHBondContact O-CD2 3.26Å; D103-F212 PolarHBondContact O-N 2.96Å; V105-F212 HydrophobicContact CB-CE2 4.13Å; V105-F212 HydrophobicContact CG1-CE2 3.55Å; V105-F212 HydrophobicContact CG1-CZ 4Å; V210-F212 HydrophobicContact CG1-CD1 4.14Å; V210-F212 HydrophobicContact CG1-CD2 4.33Å; V210-F212 HydrophobicContact CG1-CE1 3.75Å; V210-F212 HydrophobicContact CG1-CE2 3.97Å; V210-F212 HydrophobicContact CG1-CG 4.42Å; V210-F212 HydrophobicContact CG1-CZ 3.66Å; F212-K217 PolarHBondContact O-NZ 2.9Å; F212-P218 HydrophobicContact CB-CG 3.7Å; F212-P218 HydrophobicContact CD1-CG 3.99Å; F212-P218 HydrophobicContact CD2-CG 3.31Å; F212-P218 HydrophobicContact CE1-CG 4.43Å; F212-P218 HydrophobicContact CE2-CG 3.81Å; F212-P218 HydrophobicContact CG-CG 3.4Å; F212-P218 VanDerWaalsContact CG-CG 3.4Å; F212-P218 HydrophobicContact CZ-CG 4.34Å; F212-F242 HydrophobicContact CE1-CB 4.06Å; F212-F242 HydrophobicContact CZ-CB 3.9Å; F212-L243 HydrophobicContact CD1-CD2 3.99Å; F212-L243 HydrophobicContact CE1-CD2 3.72Å; F212-L243 HydrophobicContact CE1-CG 4.1Å; F212-L243 HydrophobicContact CZ-CD2 4.33Å; F212-W246 HydrophobicContact CE2-CB 4.34Å; F212-W246 HydrophobicContact CE2-CG 4.45Å; F212-W246 HydrophobicContact CZ-CB 4.4Å
213I87.7Confident90.7Very high39 Ų3947.4 Ų47.420%0.225%0.249CC..  trans-73.2163.9174.274.6164.5000111.3I189 S190 Q191 H211I189-I213 HydrophobicContact CB-CD1 3.93Å; I189-I213 HydrophobicContact CB-CG1 4.05Å; I189-I213 HydrophobicContact CB-CG2 4.13Å; I189-I213 HydrophobicContact CD1-CD1 3.5Å; I189-I213 HydrophobicContact CD1-CG1 4.39Å; I189-I213 HydrophobicContact CG1-CD1 4.32Å; I189-I213 HydrophobicContact CG2-CD1 4.25Å; I189-I213 HydrophobicContact CG2-CG2 3.84Å; S190-I213 PolarHBondContact OG-N 2.97Å; S190-I213 PolarHBondContact OG-O 3.04Å; S190-I213 VanDerWaalsContact OG-O 3.13Å; Q191-I213 HydrophobicContact CB-CD1 4.5Å; Q191-I213 HydrophobicContact CG-CD1 3.81Å; Q191-I213 HydrophobicContact CG-CG1 3.93Å; H211-I213 VanDerWaalsContact C-N 3.29Å; H211-I213 WeakPolarHBondContact NE2-CG2 3.39Å; H211-I213 PolarHBondContact O-N 3.18Å
214G83.4Confident90.4Very high42 Ų4245.3 Ų45.343%0.43324%0.242SC..SBendtrans106.8176.9-176.900000112.6K217G214-K217 WeakPolarHBondContact O-CE 3.17Å; G214-K217 PolarHBondContact O-NZ 3.2Å; G214-K217 VanDerWaalsContact O-NZ 3.15Å
215S79.9Confident90.2Very high100 Ų10046.5 Ų46.570%0.69925%0.25SS*.SBendtrans-73.1-36.1178.855.70000112.3H220S215-H220 PolarHBondContact O-ND1 3.09Å
216E84.7Confident89.8Confident126 Ų12644.3 Ų44.359%0.58924%0.235SC*.SBendtrans-85.5114.3177.1-63.7-53.7130.100109.6H220E216-H220 VanDerWaalsContact OE2-CB 3.29Å; E216-H220 WeakPolarHBondContact OE2-CB 3.41Å; E216-H220 IonicContact OE2-CG 3.63Å; E216-H220 IonicContact OE2-ND1 2.73Å
217K90Very high89.3Confident17 Ų1739.4 Ų39.47%0.07422%0.216CC..  trans-95.9161.6177.3-59.4-61.9177.5-176.80109.6D103 F212 G214 W219 H220D103-K217 HydrophobicContact CB-CD 4.05Å; D103-K217 IonicContact OD2-NZ 3.42Å; D103-K217 PolarHBondContact OD2-NZ 3.35Å; F212-K217 PolarHBondContact O-NZ 2.9Å; G214-K217 WeakPolarHBondContact O-CE 3.17Å; G214-K217 PolarHBondContact O-NZ 3.2Å; G214-K217 VanDerWaalsContact O-NZ 3.15Å; K217-W219 HydrophobicContact CB-CD2 3.64Å; K217-W219 HydrophobicContact CB-CE3 4.1Å; K217-W219 HydrophobicContact CB-CG 4.17Å; K217-W219 HydrophobicContact CB-CH2 4Å; K217-W219 HydrophobicContact CB-CZ2 3.5Å; K217-W219 VanDerWaalsContact CB-CZ2 3.5Å; K217-W219 HydrophobicContact CB-CZ3 4.26Å; K217-W219 HydrophobicContact CD-CH2 4.34Å; K217-W219 HydrophobicContact CD-CZ2 4.18Å; K217-W219 HydrophobicContact CG-CH2 4.12Å; K217-W219 HydrophobicContact CG-CZ2 3.51Å; K217-W219 PolarHBondContact O-N 3.4Å; K217-W219 VanDerWaalsContact O-N 3.08Å; K217-H220 PolarHBondContact N-ND1 3Å; K217-H220 VanDerWaalsContact N-ND1 3.12Å; K217-H220 WeakPolarHBondContact O-CB 3.38Å; K217-H220 PolarHBondContact O-N 3.27Å
218P91.2Very high88.9Confident1 Ų144.1 Ų44.11%0.00624%0.238CC..G310 helixtrans-53.6-35.8-178.8-2936.8000113.8F212 H220 C221 L243 W246 W247F212-P218 HydrophobicContact CB-CG 3.7Å; F212-P218 HydrophobicContact CD1-CG 3.99Å; F212-P218 HydrophobicContact CD2-CG 3.31Å; F212-P218 HydrophobicContact CE1-CG 4.43Å; F212-P218 HydrophobicContact CE2-CG 3.81Å; F212-P218 HydrophobicContact CG-CG 3.4Å; F212-P218 VanDerWaalsContact CG-CG 3.4Å; F212-P218 HydrophobicContact CZ-CG 4.34Å; P218-H220 VanDerWaalsContact C-N 3.26Å; P218-H220 PolarHBondContact O-N 2.83Å; P218-C221 WeakPolarHBondContact O-CB 3.3Å; P218-C221 PolarHBondContact O-N 3.29Å; P218-L243 HydrophobicContact CB-CD2 3.89Å; P218-L243 HydrophobicContact CG-CD2 4.07Å; P218-W246 HydrophobicContact CB-CB 4.34Å; P218-W246 HydrophobicContact CB-CD2 3.31Å; P218-W246 HydrophobicContact CB-CE3 3.66Å; P218-W246 HydrophobicContact CB-CG 3.6Å; P218-W246 HydrophobicContact CB-CH2 4.46Å; P218-W246 HydrophobicContact CB-CZ2 4.15Å; P218-W246 HydrophobicContact CB-CZ3 4.22Å; P218-W246 HydrophobicContact CG-CD2 4.24Å; P218-W246 HydrophobicContact CG-CG 4.12Å; P218-W247 WeakPolarHBondContact O-CZ2 3.49Å; P218-W247 PolarHBondContact O-NE1 3.37Å
219W91.2Very high88.4Confident3 Ų342 Ų421%0.01123%0.232CC..G310 helixtrans-75.4-6.4178.655.579.5000114.6Y14 D103 K217 W246 F265Y14-W219 HydrophobicContact CD1-CH2 4.03Å; Y14-W219 HydrophobicContact CD1-CZ2 4.16Å; Y14-W219 HydrophobicContact CD2-CZ2 4.01Å; Y14-W219 HydrophobicContact CE1-CH2 4.17Å; Y14-W219 HydrophobicContact CE1-CZ2 4.21Å; Y14-W219 HydrophobicContact CE2-CZ2 4.07Å; Y14-W219 HydrophobicContact CG-CH2 4.29Å; Y14-W219 HydrophobicContact CG-CZ2 4.07Å; D103-W219 HydrophobicContact CB-CH2 3.95Å; D103-W219 HydrophobicContact CB-CZ3 4.26Å; K217-W219 HydrophobicContact CB-CD2 3.64Å; K217-W219 HydrophobicContact CB-CE3 4.1Å; K217-W219 HydrophobicContact CB-CG 4.17Å; K217-W219 HydrophobicContact CB-CH2 4Å; K217-W219 HydrophobicContact CB-CZ2 3.5Å; K217-W219 VanDerWaalsContact CB-CZ2 3.5Å; K217-W219 HydrophobicContact CB-CZ3 4.26Å; K217-W219 HydrophobicContact CD-CH2 4.34Å; K217-W219 HydrophobicContact CD-CZ2 4.18Å; K217-W219 HydrophobicContact CG-CH2 4.12Å; K217-W219 HydrophobicContact CG-CZ2 3.51Å; K217-W219 PolarHBondContact O-N 3.4Å; K217-W219 VanDerWaalsContact O-N 3.08Å; W219-W246 HydrophobicContact CB-CH2 3.69Å; W219-W246 HydrophobicContact CB-CZ2 4.15Å; W219-W246 HydrophobicContact CB-CZ3 4.45Å; W219-W246 AromaticContact CE3-CZ2 3.8Å; W219-W246 HydrophobicContact CE3-CZ2 3.8Å; W219-F265 HydrophobicContact CB-CZ 3.96Å; W219-F265 AromaticContact CD1-CZ 3.52Å; W219-F265 HydrophobicContact CG-CZ 4.06Å; W219-F265 WeakPolarHBondContact O-CZ 3.4Å
220H88.4Confident87.7Confident67 Ų6745.3 Ų45.331%0.3125%0.249SC..G310 helixtrans-88.9-15.8169.6-56.7156.7000112.5E13 S215 E216 K217 P218E13-H220 IonicContact OE2-NE2 3.79Å; E13-H220 PolarHBondContact OE2-NE2 3.48Å; S215-H220 PolarHBondContact O-ND1 3.09Å; E216-H220 VanDerWaalsContact OE2-CB 3.29Å; E216-H220 WeakPolarHBondContact OE2-CB 3.41Å; E216-H220 IonicContact OE2-CG 3.63Å; E216-H220 IonicContact OE2-ND1 2.73Å; K217-H220 PolarHBondContact N-ND1 3Å; K217-H220 VanDerWaalsContact N-ND1 3.12Å; K217-H220 WeakPolarHBondContact O-CB 3.38Å; K217-H220 PolarHBondContact O-N 3.27Å; P218-H220 VanDerWaalsContact C-N 3.26Å; P218-H220 PolarHBondContact O-N 2.83Å
221C85Confident86.6Confident27 Ų2747.1 Ų47.118%0.18226%0.26CS..SBendtrans-73.7150.6176-53.80000110.7P218 V229 W247P218-C221 WeakPolarHBondContact O-CB 3.3Å; P218-C221 PolarHBondContact O-N 3.29Å; C221-V229 HydrophobicContact CB-CG1 3.92Å; C221-W247 WeakPolarHBondContact O-CZ2 3.39Å
222G83.1Confident85.1Confident29 Ų2954.9 Ų54.930%0.29930%0.296SS..EExtended strand (participates in β ladder)trans-92.5161.9171.600000111.9I230G222-I230 PolarHBondContact O-N 3.5Å
223L87.3Confident83.6Confident24 Ų2459.2 Ų59.213%0.12632%0.319CS..EExtended strand (participates in β ladder)trans-102.8144.1161.6-66.7-175.4000109.9Q228 V229 I230 W247 M251 I272 I274L223-Q228 CarbonylContact C-O 3.55Å; L223-Q228 WeakPolarHBondContact CA-O 3.49Å; L223-V229 HydrophobicContact CD2-CB 4.44Å; L223-V229 HydrophobicContact CD2-CG2 3.85Å; L223-I230 WeakPolarHBondContact O-CD1 3.45Å; L223-W247 HydrophobicContact CD1-CD2 4.12Å; L223-W247 HydrophobicContact CD1-CE3 3.55Å; L223-W247 HydrophobicContact CD1-CZ3 4.12Å; L223-W247 HydrophobicContact CD2-CB 3.9Å; L223-W247 HydrophobicContact CD2-CD2 3.74Å; L223-W247 HydrophobicContact CD2-CE3 4.05Å; L223-W247 HydrophobicContact CD2-CG 3.67Å; L223-W247 HydrophobicContact CG-CD2 3.83Å; L223-W247 HydrophobicContact CG-CE3 3.65Å; L223-W247 HydrophobicContact CG-CG 4.29Å; L223-W247 HydrophobicContact CG-CZ3 4.1Å; L223-M251 HydrophobicContact CD1-CG 3.65Å; L223-M251 HydrophobicContact CD1-SD 3.95Å; L223-I272 HydrophobicContact CB-CG2 4.46Å; L223-I272 HydrophobicContact CD1-CG2 4.27Å; L223-I274 HydrophobicContact CD1-CD1 4.04Å
224D86.7Confident82.1Confident53 Ų5362.1 Ų62.128%0.28334%0.335SS..PPolyproline II helixtrans-73.8173.4165.578.64.2000110.6F226 G227 Q228 I230D224-F226 PolarHBondContact O-N 2.71Å; D224-F226 VanDerWaalsContact OD1-C 3.28Å; D224-F226 VanDerWaalsContact OD1-CA 3.26Å; D224-F226 WeakPolarHBondContact OD1-CA 3.4Å; D224-F226 WeakPolarHBondContact OD1-CB 3.1Å; D224-F226 PolarHBondContact OD1-N 3.13Å; D224-G227 PolarHBondContact O-N 3.33Å; D224-G227 PolarHBondContact OD1-N 2.74Å; D224-Q228 PolarHBondContact N-O 3.27Å; D224-Q228 PolarHBondContact OD1-N 2.84Å; D224-I230 HydrophobicContact CB-CD1 4.32Å; D224-I230 HydrophobicContact CB-CG1 4.06Å
225K85.9Confident80.5Confident133 Ų13364.7 Ų64.758%0.57834%0.342SS*.THydrogen-bonded Turntrans-61.1-12.2179.867.2-175.9-178.1-177.80114.2S275K225-S275 WeakPolarHBondContact O-CB 3.37Å; K225-S275 PolarHBondContact O-N 3.26Å
226F84.9Confident79.1Confident75 Ų7561.1 Ų61.133%0.32932%0.317SS..THydrogen-bonded Turntrans-103.73.6179.3-52.4-68.1000112.5D224 Q228 P279D224-F226 PolarHBondContact O-N 2.71Å; D224-F226 VanDerWaalsContact OD1-C 3.28Å; D224-F226 VanDerWaalsContact OD1-CA 3.26Å; D224-F226 WeakPolarHBondContact OD1-CA 3.4Å; D224-F226 WeakPolarHBondContact OD1-CB 3.1Å; D224-F226 PolarHBondContact OD1-N 3.13Å; F226-Q228 VanDerWaalsContact C-N 3.35Å; F226-P279 HydrophobicContact CD1-CG 4.14Å; F226-P279 HydrophobicContact CE1-CB 4.38Å; F226-P279 HydrophobicContact CE1-CG 3.95Å; F226-P279 HydrophobicContact CG-CG 4.5Å; F226-P279 HydrophobicContact CZ-CB 4.36Å; F226-P279 HydrophobicContact CZ-CG 4.13Å
227G86.4Confident77.5Confident8 Ų856.6 Ų56.68%0.08230%0.298CS..SBendtrans78.415.6-17900000114.3D224 Q244D224-G227 PolarHBondContact O-N 3.33Å; D224-G227 PolarHBondContact OD1-N 2.74Å; G227-Q244 PolarHBondContact O-NE2 2.83Å
228Q88.3Confident75.9Confident106 Ų10656.5 Ų56.550%0.49530%0.302SS..  trans-86.5140.9171.9-59.7-59.9-59.100110.7L223 D224 F226 I230L223-Q228 CarbonylContact C-O 3.55Å; L223-Q228 WeakPolarHBondContact CA-O 3.49Å; D224-Q228 PolarHBondContact N-O 3.27Å; D224-Q228 PolarHBondContact OD1-N 2.84Å; F226-Q228 VanDerWaalsContact C-N 3.35Å; Q228-I230 PolarHBondContact O-N 2.85Å
229V87.4Confident74.9Confident18 Ų1857.3 Ų57.311%0.10931%0.307CS..EExtended strand (participates in β ladder)trans-65.1126.4177.3-177.70000110.8C221 L223 V231 L243 Q244 W247C221-V229 HydrophobicContact CB-CG1 3.92Å; L223-V229 HydrophobicContact CD2-CB 4.44Å; L223-V229 HydrophobicContact CD2-CG2 3.85Å; V229-V231 HydrophobicContact CB-CG2 4.48Å; V229-V231 HydrophobicContact CG1-CG2 4Å; V229-V231 PolarHBondContact O-N 3.34Å; V229-L243 HydrophobicContact CB-CB 4.49Å; V229-L243 HydrophobicContact CG1-CB 4.11Å; V229-L243 HydrophobicContact CG1-CD1 4.11Å; V229-L243 HydrophobicContact CG2-CB 4.16Å; V229-Q244 HydrophobicContact CG2-CB 4.32Å; V229-W247 HydrophobicContact CG2-CB 4.02Å; V229-W247 HydrophobicContact CG2-CG 3.82Å
230I84.2Confident74.5Confident68 Ų6859.8 Ų59.835%0.34932%0.323SS..EExtended strand (participates in β ladder)trans-78.5105.3171.9-57.7173.8000107.7G222 L223 D224 Q228G222-I230 PolarHBondContact O-N 3.5Å; L223-I230 WeakPolarHBondContact O-CD1 3.45Å; D224-I230 HydrophobicContact CB-CD1 4.32Å; D224-I230 HydrophobicContact CB-CG1 4.06Å; Q228-I230 PolarHBondContact O-N 2.85Å
231V74.1Confident74.5Confident38 Ų3859.6 Ų59.623%0.2332%0.322CS..  trans-98.5112.6176.7-175.50000108.7V229 D233 P240 L243V229-V231 HydrophobicContact CB-CG2 4.48Å; V229-V231 HydrophobicContact CG1-CG2 4Å; V229-V231 PolarHBondContact O-N 3.34Å; V231-D233 VanDerWaalsContact C-N 3.33Å; V231-D233 VanDerWaalsContact CG1-O 3.27Å; V231-D233 WeakPolarHBondContact CG1-O 3.24Å; V231-P240 HydrophobicContact CG2-CB 4.3Å; V231-P240 HydrophobicContact CG2-CG 4.2Å; V231-L243 HydrophobicContact CG2-CD1 4.48Å
232H65.2Low74.8Confident172 Ų17258.9 Ų58.980%0.79632%0.316SS*.SBendtrans-76.4-20.1179.8-67.9-62.9000113.4
233D61.7Low75.2Confident97 Ų9758.1 Ų58.152%0.51931%0.305SS..  trans-130.2102.7179.2-167.7-11.2000111.3V231 T235V231-D233 VanDerWaalsContact C-N 3.33Å; V231-D233 VanDerWaalsContact CG1-O 3.27Å; V231-D233 WeakPolarHBondContact CG1-O 3.24Å; D233-T235 PolarHBondContact O-N 2.86Å; D233-T235 VanDerWaalsContact OD1-CB 3.27Å; D233-T235 WeakPolarHBondContact OD1-CB 3.44Å; D233-T235 WeakPolarHBondContact OD1-CG2 3.38Å; D233-T235 PolarHBondContact OD1-N 3.21Å; D233-T235 PolarHBondContact OD1-OG1 3.06Å; D233-T235 PolarHBondContact OD2-OG1 3.25Å
234L55.6Low75.5Confident101 Ų10158.2 Ų58.253%0.52931%0.305SS..THydrogen-bonded Turntrans-75.7-1.2-179.1-68.8170.1000113.6S236L234-S236 PolarHBondContact O-N 2.93Å; L234-S236 VanDerWaalsContact O-N 3.13Å
235T49.6Very low75.8Confident96 Ų9658.7 Ų58.759%0.58931%0.306SS*.THydrogen-bonded Turntrans-64.1-18-178.856.10000112.9D233 V237D233-T235 PolarHBondContact O-N 2.86Å; D233-T235 VanDerWaalsContact OD1-CB 3.27Å; D233-T235 WeakPolarHBondContact OD1-CB 3.44Å; D233-T235 WeakPolarHBondContact OD1-CG2 3.38Å; D233-T235 PolarHBondContact OD1-N 3.21Å; D233-T235 PolarHBondContact OD1-OG1 3.06Å; D233-T235 PolarHBondContact OD2-OG1 3.25Å; T235-V237 PolarHBondContact O-N 2.85Å
236S51.3Low76.3Confident25 Ų2552.4 Ų52.418%0.17528%0.278CS..SBendtrans-94.584.4-177.4-54.90000113Y194 L234 G238 T239Y194-S236 VanDerWaalsContact CD1-OG 3.32Å; Y194-S236 WeakPolarHBondContact CD1-OG 3.37Å; L234-S236 PolarHBondContact O-N 2.93Å; L234-S236 VanDerWaalsContact O-N 3.13Å; S236-G238 PolarHBondContact O-N 2.8Å; S236-T239 WeakPolarHBondContact CB-OG1 3.48Å; S236-T239 WeakPolarHBondContact O-CB 3.4Å; S236-T239 PolarHBondContact O-N 2.83Å; S236-T239 VanDerWaalsContact O-N 3.14Å; S236-T239 PolarHBondContact O-OG1 2.94Å
237V49.7Very low76.8Confident30 Ų3048.8 Ų48.818%0.18226%0.262CS..THydrogen-bonded Turntrans-43.9128.7171.4-177.90000109.3F193 F200 T235 T239F193-V237 CarbonylContact C-O 3.6Å; F193-V237 WeakPolarHBondContact CB-O 3.38Å; F200-V237 HydrophobicContact CD1-CG1 4.48Å; F200-V237 HydrophobicContact CE1-CG1 4.48Å; T235-V237 PolarHBondContact O-N 2.85Å; V237-T239 VanDerWaalsContact C-N 3.31Å; V237-T239 PolarHBondContact O-N 3.29Å
238G57.4Low77.2Confident15 Ų1552.3 Ų52.316%0.15528%0.279CS..THydrogen-bonded Turntrans81.8-12.317500000117S236 P240 E241 F242S236-G238 PolarHBondContact O-N 2.8Å; G238-P240 VanDerWaalsContact C-CD 3.45Å; G238-E241 WeakPolarHBondContact O-CG 3.37Å; G238-F242 WeakPolarHBondContact O-CD2 3.21Å
239T70.4Confident77.6Confident19 Ų1947.8 Ų47.812%0.11726%0.258CS..Hα-helixtrans-62.5-38.9174.6-560000113.7S236 V237 E241 F242 L243S236-T239 WeakPolarHBondContact CB-OG1 3.48Å; S236-T239 WeakPolarHBondContact O-CB 3.4Å; S236-T239 PolarHBondContact O-N 2.83Å; S236-T239 VanDerWaalsContact O-N 3.14Å; S236-T239 PolarHBondContact O-OG1 2.94Å; V237-T239 VanDerWaalsContact C-N 3.31Å; V237-T239 PolarHBondContact O-N 3.29Å; T239-E241 PolarHBondContact O-N 3.11Å; T239-F242 PolarHBondContact O-N 2.94Å; T239-L243 HydrophobicContact CG2-CD1 3.56Å; T239-L243 HydrophobicContact CG2-CG 3.91Å; T239-L243 WeakPolarHBondContact O-CB 3.39Å; T239-L243 WeakPolarHBondContact O-CG 3.49Å; T239-L243 PolarHBondContact O-N 3.04Å
240P81.8Confident78.1Confident54 Ų5446.9 Ų46.935%0.35125%0.253SS..Hα-helixtrans-62.2-37.6-177.1-23.532.8000113.8V231 G238 Q244V231-P240 HydrophobicContact CG2-CB 4.3Å; V231-P240 HydrophobicContact CG2-CG 4.2Å; G238-P240 VanDerWaalsContact C-CD 3.45Å; P240-Q244 WeakPolarHBondContact O-CB 3.43Å; P240-Q244 PolarHBondContact O-N 3.06Å
241E88.5Confident78.6Confident63 Ų6345.2 Ų45.229%0.29424%0.244SC..Hα-helixtrans-67.9-41.2-177.453.8162.716500113.1R204 G238 T239 Q244 H245R204-E241 IonicContact CZ-OE1 3.32Å; R204-E241 IonicContact CZ-OE2 3.52Å; R204-E241 VanDerWaalsContact CZ-OE2 3.3Å; R204-E241 IonicContact NE-OE1 3.51Å; R204-E241 PolarHBondContact NE-OE1 3.2Å; R204-E241 IonicContact NE-OE2 2.85Å; R204-E241 PolarHBondContact NE-OE2 3.45Å; R204-E241 IonicContact NH2-OE1 2.82Å; R204-E241 PolarHBondContact NH2-OE1 2.88Å; R204-E241 IonicContact NH2-OE2 3.18Å; R204-E241 PolarHBondContact NH2-OE2 3.1Å; G238-E241 WeakPolarHBondContact O-CG 3.37Å; T239-E241 PolarHBondContact O-N 3.11Å; E241-Q244 PolarHBondContact O-N 3.37Å; E241-H245 PolarHBondContact O-N 3.42Å
242F91.9Very high79.6Confident13 Ų1347.8 Ų47.86%0.05726%0.26CS..Hα-helixtrans-77.8-36.4-178.7-57.9-58.3000110.8L107 F193 F200 I207 V210 F212 G238 T239 Q244 H245 W246L107-F242 HydrophobicContact CD1-CD1 3.71Å; L107-F242 HydrophobicContact CD1-CE1 3.48Å; L107-F242 VanDerWaalsContact CD1-CE1 3.48Å; L107-F242 HydrophobicContact CD2-CD1 4.43Å; F193-F242 HydrophobicContact CD1-CE2 4.2Å; F193-F242 HydrophobicContact CD2-CD2 4.26Å; F193-F242 AromaticContact CE1-CD2 3.87Å; F193-F242 HydrophobicContact CE1-CD2 3.87Å; F193-F242 AromaticContact CE1-CE2 3.58Å; F193-F242 HydrophobicContact CE1-CE2 3.58Å; F193-F242 AromaticContact CE2-CD2 3.47Å; F193-F242 HydrophobicContact CE2-CD2 3.47Å; F193-F242 VanDerWaalsContact CE2-CD2 3.47Å; F193-F242 HydrophobicContact CE2-CE2 4.01Å; F193-F242 HydrophobicContact CE2-CG 4.45Å; F193-F242 AromaticContact CZ-CD2 3.23Å; F193-F242 HydrophobicContact CZ-CD2 3.23Å; F193-F242 AromaticContact CZ-CE2 3.46Å; F193-F242 HydrophobicContact CZ-CE2 3.46Å; F193-F242 VanDerWaalsContact CZ-CE2 3.46Å; F193-F242 HydrophobicContact CZ-CG 4.17Å; F200-F242 AromaticContact CE2-CE2 3.66Å; F200-F242 HydrophobicContact CE2-CE2 3.66Å; F200-F242 HydrophobicContact CE2-CZ 4.07Å; F200-F242 AromaticContact CZ-CE2 3.68Å; F200-F242 HydrophobicContact CZ-CE2 3.68Å; F200-F242 HydrophobicContact CZ-CZ 4.14Å; I207-F242 HydrophobicContact CD1-CE2 4.38Å; I207-F242 HydrophobicContact CD1-CZ 3.89Å; V210-F242 HydrophobicContact CG1-CB 4.18Å; V210-F242 HydrophobicContact CG1-CG 4.41Å; V210-F242 HydrophobicContact CG2-CB 4.31Å; V210-F242 HydrophobicContact CG2-CD1 3.75Å; V210-F242 HydrophobicContact CG2-CD2 4.11Å; V210-F242 HydrophobicContact CG2-CE1 4.05Å; V210-F242 HydrophobicContact CG2-CE2 4.37Å; V210-F242 HydrophobicContact CG2-CG 3.79Å; V210-F242 HydrophobicContact CG2-CZ 4.34Å; F212-F242 HydrophobicContact CE1-CB 4.06Å; F212-F242 HydrophobicContact CZ-CB 3.9Å; G238-F242 WeakPolarHBondContact O-CD2 3.21Å; T239-F242 PolarHBondContact O-N 2.94Å; F242-Q244 VanDerWaalsContact C-N 3.34Å; F242-H245 PolarHBondContact O-N 2.84Å; F242-W246 PolarHBondContact O-N 3.48Å
243L91.1Very high81.1Confident12 Ų1241.8 Ų41.86%0.06323%0.232CC..Hα-helixtrans-60.7-44.8168.3-75.9-179.1000111F212 P218 V229 V231 T239 H245 W246 W247F212-L243 HydrophobicContact CD1-CD2 3.99Å; F212-L243 HydrophobicContact CE1-CD2 3.72Å; F212-L243 HydrophobicContact CE1-CG 4.1Å; F212-L243 HydrophobicContact CZ-CD2 4.33Å; P218-L243 HydrophobicContact CB-CD2 3.89Å; P218-L243 HydrophobicContact CG-CD2 4.07Å; V229-L243 HydrophobicContact CB-CB 4.49Å; V229-L243 HydrophobicContact CG1-CB 4.11Å; V229-L243 HydrophobicContact CG1-CD1 4.11Å; V229-L243 HydrophobicContact CG2-CB 4.16Å; V231-L243 HydrophobicContact CG2-CD1 4.48Å; T239-L243 HydrophobicContact CG2-CD1 3.56Å; T239-L243 HydrophobicContact CG2-CG 3.91Å; T239-L243 WeakPolarHBondContact O-CB 3.39Å; T239-L243 WeakPolarHBondContact O-CG 3.49Å; T239-L243 PolarHBondContact O-N 3.04Å; L243-H245 VanDerWaalsContact C-N 3.29Å; L243-H245 PolarHBondContact O-N 3.3Å; L243-W246 WeakPolarHBondContact O-CB 3.37Å; L243-W246 PolarHBondContact O-N 2.78Å; L243-W246 VanDerWaalsContact O-N 3.17Å; L243-W247 VanDerWaalsContact O-CD1 3.3Å; L243-W247 PolarHBondContact O-N 3.03Å
244Q92.9Very high82.7Confident26 Ų2637.2 Ų37.212%0.12121%0.208CC..Hα-helixtrans-61.1-41.1176.8-172.26553.600111.2G227 V229 P240 E241 F242 W247 N248G227-Q244 PolarHBondContact O-NE2 2.83Å; V229-Q244 HydrophobicContact CG2-CB 4.32Å; P240-Q244 WeakPolarHBondContact O-CB 3.43Å; P240-Q244 PolarHBondContact O-N 3.06Å; E241-Q244 PolarHBondContact O-N 3.37Å; F242-Q244 VanDerWaalsContact C-N 3.34Å; Q244-W247 PolarHBondContact O-N 3Å; Q244-N248 PolarHBondContact NE2-OD1 3.33Å; Q244-N248 WeakPolarHBondContact O-CB 3.26Å; Q244-N248 PolarHBondContact O-N 3.48Å; Q244-N248 PolarHBondContact O-ND2 3.45Å; Q244-N248 PolarHBondContact O-OD1 3.35Å
245H94.6Very high84.5Confident64 Ų6434.1 Ų34.130%0.29619%0.191SC..Hα-helixtrans-61.1-45174.4-176.270.1000112.1L107 E241 F242 L243 W247 N248 L249L107-H245 VanDerWaalsContact CD2-CD2 3.44Å; L107-H245 WeakPolarHBondContact CD2-CD2 3.5Å; E241-H245 PolarHBondContact O-N 3.42Å; F242-H245 PolarHBondContact O-N 2.84Å; L243-H245 VanDerWaalsContact C-N 3.29Å; L243-H245 PolarHBondContact O-N 3.3Å; H245-W247 PolarHBondContact O-N 2.81Å; H245-N248 PolarHBondContact O-N 3.04Å; H245-L249 WeakPolarHBondContact O-CG 3.48Å; H245-L249 PolarHBondContact O-N 3.44Å; H245-L249 VanDerWaalsContact O-N 3.09Å
246W95.6Very high86.7Confident0 Ų034 Ų340%019%0.191CC..Hα-helixtrans-58-47.3174.7-173.6100000111.4V20 F212 P218 W219 F242 L243 L249 F250V20-W246 HydrophobicContact CB-CZ2 4.12Å; V20-W246 VanDerWaalsContact CG1-CD1 3.45Å; V20-W246 HydrophobicContact CG1-CD2 4.1Å; V20-W246 HydrophobicContact CG1-CG 3.85Å; V20-W246 HydrophobicContact CG2-CD2 4.29Å; V20-W246 HydrophobicContact CG2-CH2 4.14Å; V20-W246 HydrophobicContact CG2-CZ2 3.61Å; F212-W246 HydrophobicContact CE2-CB 4.34Å; F212-W246 HydrophobicContact CE2-CG 4.45Å; F212-W246 HydrophobicContact CZ-CB 4.4Å; P218-W246 HydrophobicContact CB-CB 4.34Å; P218-W246 HydrophobicContact CB-CD2 3.31Å; P218-W246 HydrophobicContact CB-CE3 3.66Å; P218-W246 HydrophobicContact CB-CG 3.6Å; P218-W246 HydrophobicContact CB-CH2 4.46Å; P218-W246 HydrophobicContact CB-CZ2 4.15Å; P218-W246 HydrophobicContact CB-CZ3 4.22Å; P218-W246 HydrophobicContact CG-CD2 4.24Å; P218-W246 HydrophobicContact CG-CG 4.12Å; W219-W246 HydrophobicContact CB-CH2 3.69Å; W219-W246 HydrophobicContact CB-CZ2 4.15Å; W219-W246 HydrophobicContact CB-CZ3 4.45Å; W219-W246 AromaticContact CE3-CZ2 3.8Å; W219-W246 HydrophobicContact CE3-CZ2 3.8Å; F242-W246 PolarHBondContact O-N 3.48Å; L243-W246 WeakPolarHBondContact O-CB 3.37Å; L243-W246 PolarHBondContact O-N 2.78Å; L243-W246 VanDerWaalsContact O-N 3.17Å; W246-L249 WeakPolarHBondContact O-CB 3.23Å; W246-L249 PolarHBondContact O-N 3.33Å; W246-F250 HydrophobicContact CE3-CB 4.17Å; W246-F250 HydrophobicContact CH2-CB 4.11Å; W246-F250 AromaticContact CH2-CD2 3.59Å; W246-F250 HydrophobicContact CH2-CD2 3.59Å; W246-F250 HydrophobicContact CH2-CE2 4.25Å; W246-F250 AromaticContact CH2-CG 3.96Å; W246-F250 HydrophobicContact CH2-CG 3.96Å; W246-F250 HydrophobicContact CZ2-CD2 4.31Å; W246-F250 HydrophobicContact CZ3-CB 3.78Å; W246-F250 HydrophobicContact CZ3-CD2 4.04Å; W246-F250 AromaticContact CZ3-CG 3.91Å; W246-F250 HydrophobicContact CZ3-CG 3.91Å; W246-F250 PolarHBondContact O-N 2.94Å
247W94.8Very high88.7Confident0 Ų037.1 Ų37.10%020%0.202CC..Hα-helixtrans-67.7-35.1179.2-85.899.1000113.4P218 C221 L223 V229 L243 Q244 H245 F250 M251 L269 I272P218-W247 WeakPolarHBondContact O-CZ2 3.49Å; P218-W247 PolarHBondContact O-NE1 3.37Å; C221-W247 WeakPolarHBondContact O-CZ2 3.39Å; L223-W247 HydrophobicContact CD1-CD2 4.12Å; L223-W247 HydrophobicContact CD1-CE3 3.55Å; L223-W247 HydrophobicContact CD1-CZ3 4.12Å; L223-W247 HydrophobicContact CD2-CB 3.9Å; L223-W247 HydrophobicContact CD2-CD2 3.74Å; L223-W247 HydrophobicContact CD2-CE3 4.05Å; L223-W247 HydrophobicContact CD2-CG 3.67Å; L223-W247 HydrophobicContact CG-CD2 3.83Å; L223-W247 HydrophobicContact CG-CE3 3.65Å; L223-W247 HydrophobicContact CG-CG 4.29Å; L223-W247 HydrophobicContact CG-CZ3 4.1Å; V229-W247 HydrophobicContact CG2-CB 4.02Å; V229-W247 HydrophobicContact CG2-CG 3.82Å; L243-W247 VanDerWaalsContact O-CD1 3.3Å; L243-W247 PolarHBondContact O-N 3.03Å; Q244-W247 PolarHBondContact O-N 3Å; H245-W247 PolarHBondContact O-N 2.81Å; W247-F250 HydrophobicContact CE3-CB 4.41Å; W247-F250 AromaticContact CE3-CD1 3.89Å; W247-F250 HydrophobicContact CE3-CD1 3.89Å; W247-F250 HydrophobicContact CE3-CG 4.4Å; W247-F250 AromaticContact CZ3-CD1 3.66Å; W247-F250 HydrophobicContact CZ3-CD1 3.66Å; W247-F250 AromaticContact CZ3-CE1 3.96Å; W247-F250 HydrophobicContact CZ3-CE1 3.96Å; W247-F250 HydrophobicContact CZ3-CG 4.4Å; W247-F250 PolarHBondContact O-N 3.39Å; W247-M251 HydrophobicContact CE3-CG 4.32Å; W247-M251 HydrophobicContact CE3-SD 4.36Å; W247-M251 HydrophobicContact CZ3-SD 4.39Å; W247-M251 WeakPolarHBondContact O-CB 3.16Å; W247-M251 WeakPolarHBondContact O-CG 3.42Å; W247-M251 PolarHBondContact O-N 2.87Å; W247-L269 HydrophobicContact CH2-CD2 3.81Å; W247-I272 HydrophobicContact CH2-CD1 3.83Å; W247-I272 HydrophobicContact CZ3-CD1 3.66Å
248N95.6Very high90.7Very high81 Ų8136.3 Ų36.343%0.43320%0.196SC..Hα-helixtrans-61.1-46.4173-69.2-13000110.6Q244 H245 F250 T252Q244-N248 PolarHBondContact NE2-OD1 3.33Å; Q244-N248 WeakPolarHBondContact O-CB 3.26Å; Q244-N248 PolarHBondContact O-N 3.48Å; Q244-N248 PolarHBondContact O-ND2 3.45Å; Q244-N248 PolarHBondContact O-OD1 3.35Å; H245-N248 PolarHBondContact O-N 3.04Å; N248-F250 VanDerWaalsContact C-N 3.34Å; N248-F250 PolarHBondContact O-N 3.32Å; N248-T252 VanDerWaalsContact O-CB 3.25Å; N248-T252 WeakPolarHBondContact O-CB 3.44Å; N248-T252 PolarHBondContact O-N 3.3Å; N248-T252 PolarHBondContact O-OG1 2.93Å
249L97Very high92Very high11 Ų1139.4 Ų39.46%0.05821%0.212CC..Hα-helixtrans-61.5-43.5175.1-70.1173.7000111.7V20 E27 V105 H245 W246 H253V20-L249 HydrophobicContact CG1-CB 3.82Å; V20-L249 HydrophobicContact CG1-CD1 3.95Å; E27-L249 HydrophobicContact CG-CD2 3.86Å; V105-L249 HydrophobicContact CG2-CD1 3.91Å; H245-L249 WeakPolarHBondContact O-CG 3.48Å; H245-L249 PolarHBondContact O-N 3.44Å; H245-L249 VanDerWaalsContact O-N 3.09Å; W246-L249 WeakPolarHBondContact O-CB 3.23Å; W246-L249 PolarHBondContact O-N 3.33Å; L249-H253 WeakPolarHBondContact O-CB 3.37Å; L249-H253 PolarHBondContact O-N 2.87Å
250F96.3Very high92.3Very high0 Ų043 Ų430%024%0.236CC..Iπ-helixtrans-60.2-54.4177.7-175.8-92.4000111.5C16 V20 W246 W247 N248 T252 V254 H255 L258 L269C16-F250 HydrophobicContact CB-CE2 4.13Å; V20-F250 HydrophobicContact CG2-CB 3.77Å; V20-F250 HydrophobicContact CG2-CD2 3.81Å; V20-F250 HydrophobicContact CG2-CG 4.3Å; W246-F250 HydrophobicContact CE3-CB 4.17Å; W246-F250 HydrophobicContact CH2-CB 4.11Å; W246-F250 AromaticContact CH2-CD2 3.59Å; W246-F250 HydrophobicContact CH2-CD2 3.59Å; W246-F250 HydrophobicContact CH2-CE2 4.25Å; W246-F250 AromaticContact CH2-CG 3.96Å; W246-F250 HydrophobicContact CH2-CG 3.96Å; W246-F250 HydrophobicContact CZ2-CD2 4.31Å; W246-F250 HydrophobicContact CZ3-CB 3.78Å; W246-F250 HydrophobicContact CZ3-CD2 4.04Å; W246-F250 AromaticContact CZ3-CG 3.91Å; W246-F250 HydrophobicContact CZ3-CG 3.91Å; W246-F250 PolarHBondContact O-N 2.94Å; W247-F250 HydrophobicContact CE3-CB 4.41Å; W247-F250 AromaticContact CE3-CD1 3.89Å; W247-F250 HydrophobicContact CE3-CD1 3.89Å; W247-F250 HydrophobicContact CE3-CG 4.4Å; W247-F250 AromaticContact CZ3-CD1 3.66Å; W247-F250 HydrophobicContact CZ3-CD1 3.66Å; W247-F250 AromaticContact CZ3-CE1 3.96Å; W247-F250 HydrophobicContact CZ3-CE1 3.96Å; W247-F250 HydrophobicContact CZ3-CG 4.4Å; W247-F250 PolarHBondContact O-N 3.39Å; N248-F250 VanDerWaalsContact C-N 3.34Å; N248-F250 PolarHBondContact O-N 3.32Å; F250-T252 VanDerWaalsContact C-N 3.32Å; F250-T252 PolarHBondContact O-N 3.27Å; F250-V254 HydrophobicContact CD2-CB 3.75Å; F250-V254 HydrophobicContact CD2-CG1 3.83Å; F250-V254 HydrophobicContact CD2-CG2 4.25Å; F250-V254 HydrophobicContact CE2-CB 3.99Å; F250-V254 HydrophobicContact CE2-CG1 3.57Å; F250-V254 HydrophobicContact CG-CB 4.27Å; F250-V254 HydrophobicContact CZ-CG1 4.29Å; F250-V254 CarbonylContact O-C 3.54Å; F250-V254 WeakPolarHBondContact O-CA 3.15Å; F250-V254 WeakPolarHBondContact O-CB 3.29Å; F250-V254 PolarHBondContact O-N 2.89Å; F250-H255 HydrophobicContact CD1-CB 4.23Å; F250-H255 HydrophobicContact CE1-CB 4.04Å; F250-H255 PolarHBondContact O-N 2.83Å; F250-L258 HydrophobicContact CE1-CD1 4.44Å; F250-L258 HydrophobicContact CE2-CD1 4.43Å; F250-L258 HydrophobicContact CZ-CD1 3.68Å; F250-L269 HydrophobicContact CE1-CB 4.41Å; F250-L269 HydrophobicContact CE2-CD1 4.23Å; F250-L269 HydrophobicContact CZ-CB 3.96Å; F250-L269 HydrophobicContact CZ-CD1 3.84Å; F250-L269 HydrophobicContact CZ-CG 4.37Å
251M95Very high91.8Very high33 Ų3341.5 Ų41.516%0.16323%0.231CC..Iπ-helixtrans-65.9-33.6-177.1-67.8-53.6-65.100112.8L223 W247 H255 P256 I272 I274L223-M251 HydrophobicContact CD1-CG 3.65Å; L223-M251 HydrophobicContact CD1-SD 3.95Å; W247-M251 HydrophobicContact CE3-CG 4.32Å; W247-M251 HydrophobicContact CE3-SD 4.36Å; W247-M251 HydrophobicContact CZ3-SD 4.39Å; W247-M251 WeakPolarHBondContact O-CB 3.16Å; W247-M251 WeakPolarHBondContact O-CG 3.42Å; W247-M251 PolarHBondContact O-N 2.87Å; M251-H255 HydrophobicContact CE-CB 4.26Å; M251-H255 HydrophobicContact SD-CB 4Å; M251-P256 WeakPolarHBondContact O-CD 3.34Å; M251-I272 HydrophobicContact CE-CB 4.32Å; M251-I272 HydrophobicContact CE-CG2 3.87Å; M251-I272 HydrophobicContact SD-CB 4.49Å; M251-I272 HydrophobicContact SD-CG2 4.08Å; M251-I274 HydrophobicContact CE-CD1 3.7Å; M251-I274 HydrophobicContact CE-CG1 4.16Å; M251-I274 HydrophobicContact CG-CD1 4.07Å
252T95.6Very high90.1Very high91 Ų9148 Ų4856%0.55826%0.261SS*.Iπ-helixtrans-75.9-43.8179.1-65.80000112.6N248 F250N248-T252 VanDerWaalsContact O-CB 3.25Å; N248-T252 WeakPolarHBondContact O-CB 3.44Å; N248-T252 PolarHBondContact O-N 3.3Å; N248-T252 PolarHBondContact O-OG1 2.93Å; F250-T252 VanDerWaalsContact C-N 3.32Å; F250-T252 PolarHBondContact O-N 3.27Å
253H96.4Very high88.7Confident47 Ų4752.9 Ų52.922%0.21830%0.297CS..Iπ-helixtrans-114.1-32.7-165.5-65.1-61.6000114.7Y23 E27 L249Y23-H253 HydrophobicContact CD1-CB 3.7Å; Y23-H253 AromaticContact CD1-CD2 3.95Å; Y23-H253 AromaticContact CD1-CG 3.68Å; Y23-H253 HydrophobicContact CD2-CB 3.49Å; Y23-H253 VanDerWaalsContact CD2-CB 3.49Å; Y23-H253 HydrophobicContact CE1-CB 3.75Å; Y23-H253 AromaticContact CE1-CG 3.95Å; Y23-H253 HydrophobicContact CE2-CB 3.55Å; Y23-H253 HydrophobicContact CG-CB 3.58Å; Y23-H253 AromaticContact CG-CG 3.89Å; E27-H253 IonicContact OE1-CE1 2.71Å; E27-H253 IonicContact OE1-NE2 3.08Å; E27-H253 PolarHBondContact OE1-NE2 3.33Å; L249-H253 WeakPolarHBondContact O-CB 3.37Å; L249-H253 PolarHBondContact O-N 2.87Å
254V95.3Very high88.1Confident1 Ų155.7 Ų55.71%0.00631%0.311CS..Iπ-helixtrans-95.9-52.4-174.2-1760000111L19 V20 Y23 F250 P256 K257 L258L19-V254 HydrophobicContact CB-CG1 4.18Å; L19-V254 HydrophobicContact CB-CG2 3.74Å; L19-V254 HydrophobicContact CD1-CG1 3.88Å; V20-V254 HydrophobicContact CG2-CG2 3.93Å; Y23-V254 HydrophobicContact CD2-CG2 3.89Å; Y23-V254 HydrophobicContact CE2-CG2 4.04Å; F250-V254 HydrophobicContact CD2-CB 3.75Å; F250-V254 HydrophobicContact CD2-CG1 3.83Å; F250-V254 HydrophobicContact CD2-CG2 4.25Å; F250-V254 HydrophobicContact CE2-CB 3.99Å; F250-V254 HydrophobicContact CE2-CG1 3.57Å; F250-V254 HydrophobicContact CG-CB 4.27Å; F250-V254 HydrophobicContact CZ-CG1 4.29Å; F250-V254 CarbonylContact O-C 3.54Å; F250-V254 WeakPolarHBondContact O-CA 3.15Å; F250-V254 WeakPolarHBondContact O-CB 3.29Å; F250-V254 PolarHBondContact O-N 2.89Å; V254-P256 VanDerWaalsContact C-CD 3.45Å; V254-K257 WeakPolarHBondContact O-CB 3.35Å; V254-K257 PolarHBondContact O-N 2.62Å; V254-L258 HydrophobicContact CG1-CD2 4.38Å
255H94.3Very high87.7Confident36 Ų3657 Ų5717%0.16732%0.317CS..G310 helixtrans-50.8-45.2-177.4-178.7-87.6000113.5F250 M251 K257 L258 L269 I272F250-H255 HydrophobicContact CD1-CB 4.23Å; F250-H255 HydrophobicContact CE1-CB 4.04Å; F250-H255 PolarHBondContact O-N 2.83Å; M251-H255 HydrophobicContact CE-CB 4.26Å; M251-H255 HydrophobicContact SD-CB 4Å; H255-K257 PolarHBondContact O-N 2.93Å; H255-L258 PolarHBondContact O-N 2.77Å; H255-L269 PolarHBondContact CD2-O 3.23Å; H255-L269 PolarHBondContact NE2-O 2.88Å; H255-I272 PolarHBondContact CE1-O 2.91Å; H255-I272 PolarHBondContact NE2-O 3.28Å; H255-I272 VanDerWaalsContact NE2-O 3.17Å
256P94.3Very high87.1Confident93 Ų9354 Ų5460%0.60430%0.303SS*.G310 helixtrans-65.1-13.5179.9-21.635.3000114.7M251 V254M251-P256 WeakPolarHBondContact O-CD 3.34Å; V254-P256 VanDerWaalsContact C-CD 3.45Å
257K93.7Very high86.4Confident90 Ų9054 Ų5439%0.39130%0.303SS..G310 helixtrans-95.6-11.9178-61.1178.5174.9-75.60112.8Y23 I49 V254 H255Y23-K257 WeakPolarHBondContact OH-CE 3.47Å; I49-K257 HydrophobicContact CD1-CB 4.17Å; I49-K257 VanDerWaalsContact CD1-O 3.29Å; I49-K257 WeakPolarHBondContact CD1-O 3.42Å; I49-K257 HydrophobicContact CG1-CB 4.29Å; I49-K257 HydrophobicContact CG2-CB 4.17Å; I49-K257 HydrophobicContact CG2-CD 3.93Å; V254-K257 WeakPolarHBondContact O-CB 3.35Å; V254-K257 PolarHBondContact O-N 2.62Å; H255-K257 PolarHBondContact O-N 2.93Å
258L92.1Very high85.9Confident14 Ų1461 Ų617%0.07333%0.334CS..PPolyproline II helixtrans-79.3136.3179.2-56.4-177.2000109.9M46 I49 F250 V254 H255 V266 L269 A270M46-L258 HydrophobicContact SD-CD2 4Å; I49-L258 HydrophobicContact CD1-CD2 3.78Å; F250-L258 HydrophobicContact CE1-CD1 4.44Å; F250-L258 HydrophobicContact CE2-CD1 4.43Å; F250-L258 HydrophobicContact CZ-CD1 3.68Å; V254-L258 HydrophobicContact CG1-CD2 4.38Å; H255-L258 PolarHBondContact O-N 2.77Å; L258-V266 HydrophobicContact CD1-CG1 4.32Å; L258-V266 HydrophobicContact CD2-CG1 3.83Å; L258-V266 HydrophobicContact CG-CG1 4.49Å; L258-L269 HydrophobicContact CD1-CB 4.18Å; L258-A270 HydrophobicContact CB-CB 3.62Å; L258-A270 HydrophobicContact CD1-CB 4.36Å
259T85.2Confident85.5Confident80 Ų8057.6 Ų57.649%0.49132%0.315SS..PPolyproline II helixtrans-96.1129.9169.551.80000109.4Q45 G261Q45-T259 VanDerWaalsContact NE2-N 3.12Å; Q45-T259 PolarHBondContact NE2-O 3.19Å; Q45-T259 PolarHBondContact NE2-OG1 3.08Å; Q45-T259 PolarHBondContact OE1-OG1 3.3Å; T259-G261 PolarHBondContact O-N 2.82Å
260P77.2Confident85Confident94 Ų9457.6 Ų57.661%0.6132%0.317SS*.PPolyproline II helixtrans-57.2126.1172.7-24.834.2000111A270P260-A270 HydrophobicContact CG-CB 4.36Å
261G69.4Low84.5Confident23 Ų2363.2 Ų63.224%0.23734%0.343CS..  trans-123152.2172.800000110.4T259 S263T259-G261 PolarHBondContact O-N 2.82Å; G261-S263 PolarHBondContact O-N 3Å
262E54.2Low84Confident200 Ų20063.4 Ų63.494%0.93534%0.344SS*.SBendtrans-82.34.8-165-70.4-168.4147.900116.2
263S61.6Low83.3Confident115 Ų11567.5 Ų67.580%0.80436%0.357SS*.SBendtrans-161.4-6.9-178.853.20000119.1G261G261-S263 PolarHBondContact O-N 3Å
264D78.5Confident82.6Confident70 Ų7068.6 Ų68.637%0.37436%0.364SS..SBendtrans-98.9166.1-177.659.728000113.2V266 G267 K268D264-V266 VanDerWaalsContact C-N 3.27Å; D264-V266 PolarHBondContact O-N 3.4Å; D264-G267 PolarHBondContact O-N 3.37Å; D264-G267 VanDerWaalsContact O-N 3.16Å; D264-G267 WeakPolarHBondContact OD1-CA 3.47Å; D264-G267 PolarHBondContact OD1-N 2.96Å; D264-K268 PolarHBondContact O-N 2.79Å
265F84.4Confident81.4Confident53 Ų5371.5 Ų71.523%0.23238%0.384CS..Hα-helixtrans-54.1-44-179.4171.2-94.7000112.1E13 W219 G267 K268 L269E13-F265 HydrophobicContact CB-CD1 4.36Å; E13-F265 HydrophobicContact CB-CE1 4.12Å; E13-F265 HydrophobicContact CG-CD1 3.56Å; E13-F265 HydrophobicContact CG-CD2 4.2Å; E13-F265 HydrophobicContact CG-CE1 3.69Å; E13-F265 HydrophobicContact CG-CE2 4.33Å; E13-F265 HydrophobicContact CG-CG 3.83Å; E13-F265 HydrophobicContact CG-CZ 4.1Å; W219-F265 HydrophobicContact CB-CZ 3.96Å; W219-F265 AromaticContact CD1-CZ 3.52Å; W219-F265 HydrophobicContact CG-CZ 4.06Å; W219-F265 WeakPolarHBondContact O-CZ 3.4Å; F265-G267 VanDerWaalsContact C-N 3.34Å; F265-G267 PolarHBondContact O-N 2.93Å; F265-K268 WeakPolarHBondContact O-CB 3.44Å; F265-K268 PolarHBondContact O-N 3.26Å; F265-L269 HydrophobicContact CD1-CD1 4.08Å; F265-L269 HydrophobicContact CE1-CD1 3.31Å; F265-L269 HydrophobicContact CE1-CG 4.07Å; F265-L269 HydrophobicContact CZ-CD1 3.6Å; F265-L269 HydrophobicContact CZ-CD2 4.46Å; F265-L269 HydrophobicContact CZ-CG 4.09Å; F265-L269 PolarHBondContact O-N 3.34Å
266V83.1Confident79.6Confident2 Ų279.4 Ų79.41%0.01242%0.421CS..Hα-helixtrans-64.3-40.4179.1179.40000111D12 M46 L258 D264 K268 L269 A270D12-V266 HydrophobicContact CB-CG2 3.69Å; M46-V266 HydrophobicContact CG-CG2 4.15Å; M46-V266 HydrophobicContact SD-CG1 3.86Å; M46-V266 HydrophobicContact SD-CG2 4.03Å; L258-V266 HydrophobicContact CD1-CG1 4.32Å; L258-V266 HydrophobicContact CD2-CG1 3.83Å; L258-V266 HydrophobicContact CG-CG1 4.49Å; D264-V266 VanDerWaalsContact C-N 3.27Å; D264-V266 PolarHBondContact O-N 3.4Å; V266-K268 VanDerWaalsContact C-N 3.3Å; V266-K268 PolarHBondContact O-N 3.46Å; V266-L269 PolarHBondContact O-N 3.12Å; V266-L269 VanDerWaalsContact O-N 3.17Å; V266-A270 WeakPolarHBondContact O-CB 3.37Å; V266-A270 PolarHBondContact O-N 3Å
267G81.4Confident77.3Confident0 Ų078.9 Ų78.90%042%0.42CS..Hα-helixtrans-58.7-39.1174.900000112.9D264 F265 A270 Q271D264-G267 PolarHBondContact O-N 3.37Å; D264-G267 VanDerWaalsContact O-N 3.16Å; D264-G267 WeakPolarHBondContact OD1-CA 3.47Å; D264-G267 PolarHBondContact OD1-N 2.96Å; F265-G267 VanDerWaalsContact C-N 3.34Å; F265-G267 PolarHBondContact O-N 2.93Å; G267-A270 PolarHBondContact O-N 3.2Å; G267-Q271 VanDerWaalsContact O-CG 3.3Å; G267-Q271 WeakPolarHBondContact O-CG 3.19Å; G267-Q271 PolarHBondContact O-N 3.47Å
268K84.3Confident74.5Confident147 Ų14779.9 Ų79.964%0.63944%0.438SS*.Hα-helixtrans-65.7-42.4174.1-65.8-179.6-177175.80112.1D264 F265 V266 A270 Q271D264-K268 PolarHBondContact O-N 2.79Å; F265-K268 WeakPolarHBondContact O-CB 3.44Å; F265-K268 PolarHBondContact O-N 3.26Å; V266-K268 VanDerWaalsContact C-N 3.3Å; V266-K268 PolarHBondContact O-N 3.46Å; K268-A270 VanDerWaalsContact C-N 3.3Å; K268-A270 PolarHBondContact O-N 3.18Å; K268-Q271 PolarHBondContact O-N 3.29Å
269L87Confident71.8Confident10 Ų1082.8 Ų82.85%0.05246%0.458CS..Hα-helixtrans-64.9-34.5176.1-69.9-178000112.4W247 F250 H255 L258 F265 V266 Q271 I272W247-L269 HydrophobicContact CH2-CD2 3.81Å; F250-L269 HydrophobicContact CE1-CB 4.41Å; F250-L269 HydrophobicContact CE2-CD1 4.23Å; F250-L269 HydrophobicContact CZ-CB 3.96Å; F250-L269 HydrophobicContact CZ-CD1 3.84Å; F250-L269 HydrophobicContact CZ-CG 4.37Å; H255-L269 PolarHBondContact CD2-O 3.23Å; H255-L269 PolarHBondContact NE2-O 2.88Å; L258-L269 HydrophobicContact CD1-CB 4.18Å; F265-L269 HydrophobicContact CD1-CD1 4.08Å; F265-L269 HydrophobicContact CE1-CD1 3.31Å; F265-L269 HydrophobicContact CE1-CG 4.07Å; F265-L269 HydrophobicContact CZ-CD1 3.6Å; F265-L269 HydrophobicContact CZ-CD2 4.46Å; F265-L269 HydrophobicContact CZ-CG 4.09Å; F265-L269 PolarHBondContact O-N 3.34Å; V266-L269 PolarHBondContact O-N 3.12Å; V266-L269 VanDerWaalsContact O-N 3.17Å; L269-Q271 PolarHBondContact O-N 3.5Å; L269-I272 HydrophobicContact CD2-CD1 3.94Å; L269-I272 WeakPolarHBondContact O-CG1 3.5Å; L269-I272 PolarHBondContact O-N 2.99Å
270A86.3Confident69.3Low10 Ų1083.4 Ų83.48%0.08347%0.465CS..THydrogen-bonded Turntrans-70.6-12.817800000114L258 P260 V266 G267 K268L258-A270 HydrophobicContact CB-CB 3.62Å; L258-A270 HydrophobicContact CD1-CB 4.36Å; P260-A270 HydrophobicContact CG-CB 4.36Å; V266-A270 WeakPolarHBondContact O-CB 3.37Å; V266-A270 PolarHBondContact O-N 3Å; G267-A270 PolarHBondContact O-N 3.2Å; K268-A270 VanDerWaalsContact C-N 3.3Å; K268-A270 PolarHBondContact O-N 3.18Å
271Q85.4Confident67.2Low119 Ų11987.5 Ų87.556%0.55648%0.481SS*.THydrogen-bonded Turntrans-95.34-180-71171.113.800113G267 K268 L269 E273G267-Q271 VanDerWaalsContact O-CG 3.3Å; G267-Q271 WeakPolarHBondContact O-CG 3.19Å; G267-Q271 PolarHBondContact O-N 3.47Å; K268-Q271 PolarHBondContact O-N 3.29Å; L269-Q271 PolarHBondContact O-N 3.5Å; Q271-E273 PolarHBondContact O-N 3.07Å; Q271-E273 VanDerWaalsContact O-N 3.13Å
272I85.1Confident65.5Low37 Ų3791.2 Ų91.219%0.1950%0.499CS..  trans-71.7109.5-178-64.4172.9000109.6L223 W247 M251 H255 L269L223-I272 HydrophobicContact CB-CG2 4.46Å; L223-I272 HydrophobicContact CD1-CG2 4.27Å; W247-I272 HydrophobicContact CH2-CD1 3.83Å; W247-I272 HydrophobicContact CZ3-CD1 3.66Å; M251-I272 HydrophobicContact CE-CB 4.32Å; M251-I272 HydrophobicContact CE-CG2 3.87Å; M251-I272 HydrophobicContact SD-CB 4.49Å; M251-I272 HydrophobicContact SD-CG2 4.08Å; H255-I272 PolarHBondContact CE1-O 2.91Å; H255-I272 PolarHBondContact NE2-O 3.28Å; H255-I272 VanDerWaalsContact NE2-O 3.17Å; L269-I272 HydrophobicContact CD2-CD1 3.94Å; L269-I272 WeakPolarHBondContact O-CG1 3.5Å; L269-I272 PolarHBondContact O-N 2.99Å
273E81.3Confident64.5Low177 Ų17791 Ų9183%0.82750%0.498SS*.PPolyproline II helixtrans-102.9123.9174.8-67-172.5173.400111.2Q271Q271-E273 PolarHBondContact O-N 3.07Å; Q271-E273 VanDerWaalsContact O-N 3.13Å
274I80.2Confident63.5Low70 Ų7091.3 Ų91.336%0.35950%0.495SS..PPolyproline II helixtrans-100.6126.6174.2-61.2171.6000108.8L223 M251L223-I274 HydrophobicContact CD1-CD1 4.04Å; M251-I274 HydrophobicContact CE-CD1 3.7Å; M251-I274 HydrophobicContact CE-CG1 4.16Å; M251-I274 HydrophobicContact CG-CD1 4.07Å
275S70.9Confident62.1Low61 Ų6192.9 Ų92.943%0.42751%0.512SS..PPolyproline II helixtrans-75.8126.5175.8-64.10000110.5K225 S277K225-S275 WeakPolarHBondContact O-CB 3.37Å; K225-S275 PolarHBondContact O-N 3.26Å; S275-S277 PolarHBondContact O-N 2.8Å; S275-S277 VanDerWaalsContact O-N 3.15Å
276Q55.9Low61Low202 Ų20294.2 Ų94.294%0.94452%0.521SS*.  trans-74.47.6177.9-70.2-171.8-9.500114.6S278Q276-S278 PolarHBondContact O-N 3.14Å
277S45.9Very low60.2Low83 Ų83101.5 Ų101.558%0.5856%0.555SS**  trans-86.3100.6176.646.50000110.8S275S275-S277 PolarHBondContact O-N 2.8Å; S275-S277 VanDerWaalsContact O-N 3.15Å
278S34.5Very low59.5Low110 Ų110105 Ų10577%0.76958%0.579SS**  trans-50.3129.3168.4-54.60000109.9Q276 S280Q276-S278 PolarHBondContact O-N 3.14Å; S278-S280 PolarHBondContact O-N 2.84Å
279P36.9Very low58.7Low75 Ų75104.8 Ų104.849%0.48758%0.581SS.*  trans-65122.4160.518.8-12.1000106.4F226 L281F226-P279 HydrophobicContact CD1-CG 4.14Å; F226-P279 HydrophobicContact CE1-CB 4.38Å; F226-P279 HydrophobicContact CE1-CG 3.95Å; F226-P279 HydrophobicContact CG-CG 4.5Å; F226-P279 HydrophobicContact CZ-CB 4.36Å; F226-P279 HydrophobicContact CZ-CG 4.13Å; P279-L281 PolarHBondContact O-N 2.68Å
280S32Very low57.9Low93 Ų93108.2 Ų108.265%0.6559%0.593SS**  trans-42.1134.5145.651.60000106.9S278 T282S278-S280 PolarHBondContact O-N 2.84Å; S280-T282 PolarHBondContact O-N 2.87Å; S280-T282 PolarHBondContact O-OG1 3.05Å
281L32.2Very low57.3Low181 Ų181113.2 Ų113.295%0.94862%0.615SS**  trans-49.380.5171.8-77.5150.7000110.3P279 Q283P279-L281 PolarHBondContact O-N 2.68Å; L281-Q283 PolarHBondContact O-N 3.43Å
282T33.7Very low56.6Low100 Ų100109.6 Ų109.661%0.61360%0.599SS**  trans-82.7110.8166.130000103.5S280 V284S280-T282 PolarHBondContact O-N 2.87Å; S280-T282 PolarHBondContact O-OG1 3.05Å; T282-V284 PolarHBondContact O-N 2.94Å
283Q33.5Very low56.2Low196 Ų196108.9 Ų108.992%0.91660%0.599SS**  trans-48.990.4168.3-68171.1-42.300108.7L281 S285L281-Q283 PolarHBondContact O-N 3.43Å; Q283-S285 PolarHBondContact O-N 2.94Å
284V40.4Very low56Low122 Ų122105.9 Ų105.974%0.73958%0.58SS**  trans-78.8107.8166.8179.30000104.4T282 D286T282-V284 PolarHBondContact O-N 2.94Å; V284-D286 VanDerWaalsContact C-N 3.29Å; V284-D286 PolarHBondContact O-N 2.87Å
285S49.7Very low55.9Low103 Ų103108.9 Ų108.972%0.7259%0.592SS**  trans-26.473.9176.8580000116.6Q283 E287Q283-S285 PolarHBondContact O-N 2.94Å; S285-E287 PolarHBondContact O-N 3.24Å
286D61.2Low56.1Low81 Ų81111.1 Ų111.143%0.43359%0.592SS.*THydrogen-bonded Turn26.14.3114-149.127.6000120.6V284 R290V284-D286 VanDerWaalsContact C-N 3.29Å; V284-D286 PolarHBondContact O-N 2.87Å; D286-R290 WeakPolarHBondContact O-CB 3.34Å; D286-R290 VanDerWaalsContact O-CD 3.24Å; D286-R290 WeakPolarHBondContact O-CD 3.46Å; D286-R290 WeakPolarHBondContact O-CG 3.45Å; D286-R290 PolarHBondContact O-N 3.37Å; D286-R290 WeakPolarHBondContact OD1-CG 3.46Å; D286-R290 WeakPolarHBondContact OD2-CD 3.34Å
287E66.1Low57Low154 Ų154104.3 Ų104.372%0.7258%0.575SS**Hα-helixtrans-92.4-44.1-179.4-148.3166.8-158.500112S285 Q291S285-E287 PolarHBondContact O-N 3.24Å; E287-Q291 VanDerWaalsContact O-CB 3.23Å; E287-Q291 WeakPolarHBondContact O-CB 3.45Å; E287-Q291 PolarHBondContact O-N 3.45Å
288S67.9Low58.4Low73 Ų73106 Ų10651%0.5157%0.574SS.*Hα-helixtrans-70.8-41.9174.8-174.50000111.9Q291 L292S288-Q291 PolarHBondContact O-N 3.1Å; S288-L292 WeakPolarHBondContact O-CB 3.41Å; S288-L292 VanDerWaalsContact O-CG 3.3Å; S288-L292 WeakPolarHBondContact O-CG 3.28Å; S288-L292 PolarHBondContact O-N 3.04Å
289E67.1Low60.5Low144 Ų144103.7 Ų103.767%0.67355%0.552SS**Hα-helixtrans-67.4-40.9174.9-74.8-172.6165.300112.1L292 A293E289-L292 PolarHBondContact O-N 2.8Å; E289-A293 WeakPolarHBondContact O-CB 3.46Å; E289-A293 PolarHBondContact O-N 2.93Å
290R69.4Low62.5Low81 Ų81103.8 Ų103.831%0.30655%0.548SS..Hα-helixtrans-61.6-44.5169.7-83.9174.675.6-151.16.3111.5D286 L292 A293 W294 S304 D305D286-R290 WeakPolarHBondContact O-CB 3.34Å; D286-R290 VanDerWaalsContact O-CD 3.24Å; D286-R290 WeakPolarHBondContact O-CD 3.46Å; D286-R290 WeakPolarHBondContact O-CG 3.45Å; D286-R290 PolarHBondContact O-N 3.37Å; D286-R290 WeakPolarHBondContact OD1-CG 3.46Å; D286-R290 WeakPolarHBondContact OD2-CD 3.34Å; R290-L292 VanDerWaalsContact C-N 3.3Å; R290-L292 PolarHBondContact O-N 3.06Å; R290-A293 WeakPolarHBondContact O-CB 3.29Å; R290-A293 PolarHBondContact O-N 2.82Å; R290-A293 VanDerWaalsContact O-N 3.14Å; R290-W294 WeakPolarHBondContact O-CB 3.48Å; R290-W294 VanDerWaalsContact O-CD1 3.22Å; R290-W294 PolarHBondContact O-N 3.09Å; R290-S304 PolarHBondContact NH2-O 3.22Å; R290-D305 IonicContact CZ-OD1 3.3Å; R290-D305 IonicContact NE-OD1 3.41Å; R290-D305 PolarHBondContact NE-OD1 3.03Å; R290-D305 IonicContact NH2-OD1 3.9Å; R290-D305 PolarHBondContact NH2-OD1 2.78Å
291Q73.9Confident64.8Low116 Ų116107.6 Ų107.654%0.54255%0.549SS..Hα-helixtrans-59.4-44.1179-177.5176.8-12.400111E287 S288 A293 W294 E295E287-Q291 VanDerWaalsContact O-CB 3.23Å; E287-Q291 WeakPolarHBondContact O-CB 3.45Å; E287-Q291 PolarHBondContact O-N 3.45Å; S288-Q291 PolarHBondContact O-N 3.1Å; Q291-A293 PolarHBondContact O-N 3.01Å; Q291-W294 WeakPolarHBondContact O-CB 3.38Å; Q291-W294 PolarHBondContact O-N 3.17Å; Q291-E295 HydrophobicContact CG-CG 4.47Å; Q291-E295 WeakPolarHBondContact CG-OE1 3.38Å; Q291-E295 PolarHBondContact NE2-OE1 3.38Å; Q291-E295 WeakPolarHBondContact O-CB 3.35Å; Q291-E295 WeakPolarHBondContact O-CG 3.48Å; Q291-E295 PolarHBondContact O-N 2.95Å
292L71Confident67Low42 Ų42106.4 Ų106.422%0.2254%0.541CS..Hα-helixtrans-64.7-38.6175.1-73166.1000112.3S288 E289 R290 W294 E295 R296S288-L292 WeakPolarHBondContact O-CB 3.41Å; S288-L292 VanDerWaalsContact O-CG 3.3Å; S288-L292 WeakPolarHBondContact O-CG 3.28Å; S288-L292 PolarHBondContact O-N 3.04Å; E289-L292 PolarHBondContact O-N 2.8Å; R290-L292 VanDerWaalsContact C-N 3.3Å; R290-L292 PolarHBondContact O-N 3.06Å; L292-W294 VanDerWaalsContact C-N 3.33Å; L292-E295 PolarHBondContact O-N 3.24Å; L292-R296 VanDerWaalsContact O-CB 3.3Å; L292-R296 WeakPolarHBondContact O-CB 3.19Å; L292-R296 WeakPolarHBondContact O-CD 3.05Å; L292-R296 WeakPolarHBondContact O-CG 3.44Å; L292-R296 PolarHBondContact O-N 3.25Å
293A76.8Confident69.3Low23 Ų23102.6 Ų102.619%0.1952%0.522CS..Hα-helixtrans-63-4117400000111.2E289 R290 Q291 R296 G297 Q298 M299E289-A293 WeakPolarHBondContact O-CB 3.46Å; E289-A293 PolarHBondContact O-N 2.93Å; R290-A293 WeakPolarHBondContact O-CB 3.29Å; R290-A293 PolarHBondContact O-N 2.82Å; R290-A293 VanDerWaalsContact O-N 3.14Å; Q291-A293 PolarHBondContact O-N 3.01Å; A293-R296 PolarHBondContact O-N 2.89Å; A293-G297 PolarHBondContact O-N 2.88Å; A293-Q298 CarbonylContact O-C 3.15Å; A293-Q298 WeakPolarHBondContact O-CA 3.44Å; A293-Q298 PolarHBondContact O-N 2.71Å; A293-M299 PolarHBondContact O-N 2.71Å
294W77.2Confident71.4Confident113 Ų11394.5 Ų94.543%0.42849%0.487SS..Hα-helixtrans-61.2-49.8172.1-90.175.4000112R290 Q291 L292 R296 G297 M299 D305 I310R290-W294 WeakPolarHBondContact O-CB 3.48Å; R290-W294 VanDerWaalsContact O-CD1 3.22Å; R290-W294 PolarHBondContact O-N 3.09Å; Q291-W294 WeakPolarHBondContact O-CB 3.38Å; Q291-W294 PolarHBondContact O-N 3.17Å; L292-W294 VanDerWaalsContact C-N 3.33Å; W294-R296 PolarHBondContact O-N 3.45Å; W294-G297 PolarHBondContact O-N 3.47Å; W294-G297 VanDerWaalsContact O-N 3.13Å; W294-M299 HydrophobicContact CD2-CE 4.45Å; W294-M299 HydrophobicContact CE3-CE 4.27Å; W294-M299 HydrophobicContact CG-CB 4.37Å; W294-D305 HydrophobicContact CZ2-CB 4.38Å; W294-D305 PolarHBondContact NE1-OD1 3.34Å; W294-I310 HydrophobicContact CH2-CD1 3.88Å; W294-I310 HydrophobicContact CZ2-CD1 3.7Å; W294-I310 HydrophobicContact CZ2-CG1 4.35Å
295E77.2Confident73.3Confident134 Ų13488.9 Ų88.963%0.62645%0.453SS*.Hα-helixtrans-64.4-28.2-179.7-73.1174.2-174.400112.7Q291 L292Q291-E295 HydrophobicContact CG-CG 4.47Å; Q291-E295 WeakPolarHBondContact CG-OE1 3.38Å; Q291-E295 PolarHBondContact NE2-OE1 3.38Å; Q291-E295 WeakPolarHBondContact O-CB 3.35Å; Q291-E295 WeakPolarHBondContact O-CG 3.48Å; Q291-E295 PolarHBondContact O-N 2.95Å; L292-E295 PolarHBondContact O-N 3.24Å
296R75.1Confident75Confident108 Ų10884.9 Ų84.941%0.40842%0.424SS..THydrogen-bonded Turntrans-89.8-1.5176.8-66.7171.5-171.7-179.14.4114.1L292 A293 W294 Q298L292-R296 VanDerWaalsContact O-CB 3.3Å; L292-R296 WeakPolarHBondContact O-CB 3.19Å; L292-R296 WeakPolarHBondContact O-CD 3.05Å; L292-R296 WeakPolarHBondContact O-CG 3.44Å; L292-R296 PolarHBondContact O-N 3.25Å; A293-R296 PolarHBondContact O-N 2.89Å; W294-R296 PolarHBondContact O-N 3.45Å; R296-Q298 HydrophobicContact CB-CG 4.35Å; R296-Q298 PolarHBondContact O-N 3.13Å
297G74.5Confident76.2Confident58 Ų5888.4 Ų88.460%0.59844%0.436SS*.THydrogen-bonded Turntrans67.221.5-174.600000114.2A293 W294A293-G297 PolarHBondContact O-N 2.88Å; W294-G297 PolarHBondContact O-N 3.47Å; W294-G297 VanDerWaalsContact O-N 3.13Å
298Q75.9Confident77.2Confident120 Ų12087.8 Ų87.856%0.56143%0.433SS*.  trans-109.829.2179.3-65-177.3-31.200111.9A293 R296A293-Q298 CarbonylContact O-C 3.15Å; A293-Q298 WeakPolarHBondContact O-CA 3.44Å; A293-Q298 PolarHBondContact O-N 2.71Å; R296-Q298 HydrophobicContact CB-CG 4.35Å; R296-Q298 PolarHBondContact O-N 3.13Å
299M78.3Confident78Confident61 Ų6189.6 Ų89.630%0.343%0.432SS..  trans-58.8145.4176.467.3-162.372.300111.4A293 W294 Y301 D305A293-M299 PolarHBondContact O-N 2.71Å; W294-M299 HydrophobicContact CD2-CE 4.45Å; W294-M299 HydrophobicContact CE3-CE 4.27Å; W294-M299 HydrophobicContact CG-CB 4.37Å; M299-Y301 WeakPolarHBondContact O-CD1 3.49Å; M299-Y301 PolarHBondContact O-N 3.17Å; M299-D305 HydrophobicContact CB-CB 3.9Å; M299-D305 HydrophobicContact CG-CB 4.44Å
300D80Confident78.8Confident76 Ų7685.1 Ų85.141%0.40641%0.412SS..  trans-8074.8179177.118.1000110.3M302 G303 S304 D305 S306D300-M302 PolarHBondContact O-N 3Å; D300-M302 PolarHBondContact OD1-N 3.3Å; D300-G303 PolarHBondContact O-N 3.24Å; D300-G303 PolarHBondContact OD1-N 3.01Å; D300-G303 WeakPolarHBondContact OD2-CA 3.18Å; D300-G303 PolarHBondContact OD2-N 3.27Å; D300-S304 PolarHBondContact OD2-N 3.33Å; D300-D305 PolarHBondContact N-OD2 3.08Å; D300-D305 CarbonylContact O-C 3.54Å; D300-D305 WeakPolarHBondContact O-CA 3.37Å; D300-D305 WeakPolarHBondContact O-CB 3.46Å; D300-D305 PolarHBondContact O-N 2.91Å; D300-S306 PolarHBondContact O-N 3.1Å
301Y79.6Confident79.7Confident173 Ų17385 Ų8568%0.67842%0.415SS*.THydrogen-bonded Turntrans-61.8-14.1-175.961.1-90.7000113.8M299 S306M299-Y301 WeakPolarHBondContact O-CD1 3.49Å; M299-Y301 PolarHBondContact O-N 3.17Å; Y301-S306 WeakPolarHBondContact O-CA 3.43Å
302M79.1Confident80.4Confident156 Ų15684.2 Ų84.277%0.76842%0.415SS*.THydrogen-bonded Turntrans-101.1-12.9176-65.2-170.372.600113.7D300D300-M302 PolarHBondContact O-N 3Å; D300-M302 PolarHBondContact OD1-N 3.3Å
303G82.3Confident81.1Confident21 Ų2187.2 Ų87.222%0.21643%0.43CS..THydrogen-bonded Turntrans-129.7-98-172.900000113.4D300 S306 K309D300-G303 PolarHBondContact O-N 3.24Å; D300-G303 PolarHBondContact OD1-N 3.01Å; D300-G303 WeakPolarHBondContact OD2-CA 3.18Å; D300-G303 PolarHBondContact OD2-N 3.27Å; G303-S306 PolarHBondContact O-OG 3.35Å; G303-K309 VanDerWaalsContact O-CD 3.3Å; G303-K309 WeakPolarHBondContact O-CD 2.99Å; G303-K309 VanDerWaalsContact O-CE 3.31Å; G303-K309 WeakPolarHBondContact O-CE 3.49Å; G303-K309 PolarHBondContact O-NZ 3.18Å
304S77.5Confident81.6Confident25 Ų2591 Ų9118%0.17545%0.447CS..THydrogen-bonded Turntrans-70.4-29.7-17461.80000113.6R290 D300 K309R290-S304 PolarHBondContact NH2-O 3.22Å; D300-S304 PolarHBondContact OD2-N 3.33Å; S304-K309 WeakPolarHBondContact O-CD 3.31Å
305D80.5Confident82.3Confident5 Ų589.2 Ų89.23%0.02744%0.443CS..THydrogen-bonded Turntrans-108.925.6-179.7-55-52.8000112.3R290 W294 M299 D300 I310R290-D305 IonicContact CZ-OD1 3.3Å; R290-D305 IonicContact NE-OD1 3.41Å; R290-D305 PolarHBondContact NE-OD1 3.03Å; R290-D305 IonicContact NH2-OD1 3.9Å; R290-D305 PolarHBondContact NH2-OD1 2.78Å; W294-D305 HydrophobicContact CZ2-CB 4.38Å; W294-D305 PolarHBondContact NE1-OD1 3.34Å; M299-D305 HydrophobicContact CB-CB 3.9Å; M299-D305 HydrophobicContact CG-CB 4.44Å; D300-D305 PolarHBondContact N-OD2 3.08Å; D300-D305 CarbonylContact O-C 3.54Å; D300-D305 WeakPolarHBondContact O-CA 3.37Å; D300-D305 WeakPolarHBondContact O-CB 3.46Å; D300-D305 PolarHBondContact O-N 2.91Å; D305-I310 WeakPolarHBondContact O-CD1 3.3Å
306S84.9Confident82.8Confident18 Ų1885.7 Ų85.713%0.12643%0.434CS..  trans-65148.4177.975.20000112D300 Y301 G303 E308 K309 I310D300-S306 PolarHBondContact O-N 3.1Å; Y301-S306 WeakPolarHBondContact O-CA 3.43Å; G303-S306 PolarHBondContact O-OG 3.35Å; S306-E308 PolarHBondContact O-N 3.07Å; S306-K309 PolarHBondContact O-N 2.7Å; S306-K309 PolarHBondContact OG-N 3.22Å; S306-I310 WeakPolarHBondContact O-CG1 3.41Å; S306-I310 PolarHBondContact O-N 2.96Å
307F85.7Confident83.4Confident155 Ų15587.5 Ų87.568%0.6844%0.444SS*.Hα-helixtrans-53.1-42.3178.6178.9-97.3000112.2K309 I310 Q311F307-K309 PolarHBondContact O-N 2.74Å; F307-I310 PolarHBondContact O-N 2.72Å; F307-Q311 VanDerWaalsContact O-CB 3.27Å; F307-Q311 WeakPolarHBondContact O-CB 3.26Å; F307-Q311 PolarHBondContact O-N 3.07Å
308E86.6Confident84.1Confident142 Ų14291.2 Ų91.266%0.66445%0.449SS*.Hα-helixtrans-59.2-43.2176.2-77.2-176.7160.700112.5S306 N312S306-E308 PolarHBondContact O-N 3.07Å; E308-N312 VanDerWaalsContact O-CB 3.29Å; E308-N312 WeakPolarHBondContact O-CB 3.39Å; E308-N312 PolarHBondContact O-N 3.23Å; E308-N312 PolarHBondContact O-ND2 3.21Å
309K85.5Confident84.1Confident111 Ų11193.9 Ų93.948%0.48346%0.459SS..Hα-helixtrans-68.2-41.8178.5-76.7-175.4-175.9165.40111.9G303 S304 S306 F307 N312 L313G303-K309 VanDerWaalsContact O-CD 3.3Å; G303-K309 WeakPolarHBondContact O-CD 2.99Å; G303-K309 VanDerWaalsContact O-CE 3.31Å; G303-K309 WeakPolarHBondContact O-CE 3.49Å; G303-K309 PolarHBondContact O-NZ 3.18Å; S304-K309 WeakPolarHBondContact O-CD 3.31Å; S306-K309 PolarHBondContact O-N 2.7Å; S306-K309 PolarHBondContact OG-N 3.22Å; F307-K309 PolarHBondContact O-N 2.74Å; K309-N312 PolarHBondContact O-N 3.3Å; K309-L313 WeakPolarHBondContact O-CB 3.25Å; K309-L313 PolarHBondContact O-N 3.29Å
310I84.4Confident82.9Confident50 Ų50102.3 Ų102.326%0.25649%0.494SS..Hα-helixtrans-63.4-45.4176.9-63.5167.5000110.1W294 D305 S306 F307 L313 L314W294-I310 HydrophobicContact CH2-CD1 3.88Å; W294-I310 HydrophobicContact CZ2-CD1 3.7Å; W294-I310 HydrophobicContact CZ2-CG1 4.35Å; D305-I310 WeakPolarHBondContact O-CD1 3.3Å; S306-I310 WeakPolarHBondContact O-CG1 3.41Å; S306-I310 PolarHBondContact O-N 2.96Å; F307-I310 PolarHBondContact O-N 2.72Å; I310-L313 PolarHBondContact O-N 2.6Å; I310-L314 HydrophobicContact CG2-CD1 4.12Å; I310-L314 WeakPolarHBondContact O-CG 3.43Å; I310-L314 PolarHBondContact O-N 2.81Å
311Q88Confident83Confident77 Ų77103.7 Ų103.736%0.3650%0.498SS..Hα-helixtrans-61.1-48.4176.8-176.6178.6-9.100111.3F307 L313 L314 E315F307-Q311 VanDerWaalsContact O-CB 3.27Å; F307-Q311 WeakPolarHBondContact O-CB 3.26Å; F307-Q311 PolarHBondContact O-N 3.07Å; Q311-L313 VanDerWaalsContact C-N 3.29Å; Q311-L313 PolarHBondContact O-N 3.43Å; Q311-L314 PolarHBondContact O-N 2.9Å; Q311-E315 HydrophobicContact CG-CG 4.43Å; Q311-E315 WeakPolarHBondContact CG-OE1 3.46Å; Q311-E315 PolarHBondContact NE2-OE1 3.05Å; Q311-E315 WeakPolarHBondContact O-CG 3.19Å; Q311-E315 PolarHBondContact O-N 2.63Å
312N88.6Confident83.2Confident101 Ų101100 Ų10054%0.5449%0.489SS..Hα-helixtrans-59.3-39.4177.3-74.7-29.4000112.1E308 K309 S316E308-N312 VanDerWaalsContact O-CB 3.29Å; E308-N312 WeakPolarHBondContact O-CB 3.39Å; E308-N312 PolarHBondContact O-N 3.23Å; E308-N312 PolarHBondContact O-ND2 3.21Å; K309-N312 PolarHBondContact O-N 3.3Å; N312-S316 WeakPolarHBondContact O-CB 3.43Å; N312-S316 PolarHBondContact O-N 3.14Å
313L86.4Confident83.4Confident105 Ų10596.9 Ų96.955%0.5547%0.473SS..Hα-helixtrans-64.8-46.6175.8-175.268.2000111.3K309 I310 Q311 S316 K317K309-L313 WeakPolarHBondContact O-CB 3.25Å; K309-L313 PolarHBondContact O-N 3.29Å; I310-L313 PolarHBondContact O-N 2.6Å; Q311-L313 VanDerWaalsContact C-N 3.29Å; Q311-L313 PolarHBondContact O-N 3.43Å; L313-S316 PolarHBondContact O-N 2.72Å; L313-S316 PolarHBondContact O-OG 3.27Å; L313-K317 WeakPolarHBondContact O-CG 3.37Å; L313-K317 PolarHBondContact O-N 3.14Å; L313-K317 VanDerWaalsContact O-N 3.14Å
314L87.3Confident83.5Confident103 Ų103101.4 Ų101.454%0.53949%0.488SS..Hα-helixtrans-60.6-46.9176.9-72.6168.9000111.4I310 Q311 S316 K317 I318I310-L314 HydrophobicContact CG2-CD1 4.12Å; I310-L314 WeakPolarHBondContact O-CG 3.43Å; I310-L314 PolarHBondContact O-N 2.81Å; Q311-L314 PolarHBondContact O-N 2.9Å; L314-S316 VanDerWaalsContact C-N 3.28Å; L314-S316 PolarHBondContact O-N 3.21Å; L314-K317 PolarHBondContact O-N 2.88Å; L314-K317 VanDerWaalsContact O-N 3.1Å; L314-I318 WeakPolarHBondContact O-CG1 3.28Å; L314-I318 PolarHBondContact O-N 3.04Å
315E90.6Very high83.9Confident75 Ų75106.1 Ų106.135%0.3551%0.508SS..Hα-helixtrans-60.5-37.7176.8-72.2-177.5-166.400112.1Q311 K317 I318 K319Q311-E315 HydrophobicContact CG-CG 4.43Å; Q311-E315 WeakPolarHBondContact CG-OE1 3.46Å; Q311-E315 PolarHBondContact NE2-OE1 3.05Å; Q311-E315 WeakPolarHBondContact O-CG 3.19Å; Q311-E315 PolarHBondContact O-N 2.63Å; E315-K317 VanDerWaalsContact C-N 3.29Å; E315-K317 PolarHBondContact O-N 2.84Å; E315-I318 PolarHBondContact O-N 2.67Å; E315-K319 WeakPolarHBondContact O-CG 3.15Å; E315-K319 PolarHBondContact O-N 2.63Å; E315-K319 VanDerWaalsContact O-N 3.15Å
316S89.1Confident84.1Confident60 Ų60112.9 Ų112.942%0.4254%0.54SS..Hα-helixtrans-67.1-28.3176.781.40000113.6N312 L313 L314N312-S316 WeakPolarHBondContact O-CB 3.43Å; N312-S316 PolarHBondContact O-N 3.14Å; L313-S316 PolarHBondContact O-N 2.72Å; L313-S316 PolarHBondContact O-OG 3.27Å; L314-S316 VanDerWaalsContact C-N 3.28Å; L314-S316 PolarHBondContact O-N 3.21Å
317K87.3Confident84Confident146 Ų146119.6 Ų119.664%0.63557%0.57SS**Hα-helixtrans-85.5-29.1178.8-66.9-72.2-175.2172.30112.3L313 L314 E315L313-K317 WeakPolarHBondContact O-CG 3.37Å; L313-K317 PolarHBondContact O-N 3.14Å; L313-K317 VanDerWaalsContact O-N 3.14Å; L314-K317 PolarHBondContact O-N 2.88Å; L314-K317 VanDerWaalsContact O-N 3.1Å; E315-K317 VanDerWaalsContact C-N 3.29Å; E315-K317 PolarHBondContact O-N 2.84Å
318I88.2Confident83.9Confident136 Ų136116.9 Ų116.970%0.69756%0.561SS**Hα-helixtrans-78.4-26.6176.9-65.3166.3000111.7L314 E315 K320L314-I318 WeakPolarHBondContact O-CG1 3.28Å; L314-I318 PolarHBondContact O-N 3.04Å; E315-I318 PolarHBondContact O-N 2.67Å; I318-K320 VanDerWaalsContact C-N 3.28Å; I318-K320 PolarHBondContact O-N 2.97Å
319K76Confident83.7Confident176 Ų176114.8 Ų114.877%0.76555%0.553SS**THydrogen-bonded Turntrans-838177.4-73.8179.1179.6168.30114.7E315E315-K319 WeakPolarHBondContact O-CG 3.15Å; E315-K319 PolarHBondContact O-N 2.63Å; E315-K319 VanDerWaalsContact O-N 3.15Å
320K53.2Low83.5Confident238 Ų238115.2 Ų115.2100%1.03556%0.559SS**  trans-110.40171-79.8-171.8175.3-175.80110.2I318I318-K320 VanDerWaalsContact C-N 3.28Å; I318-K320 PolarHBondContact O-N 2.97Å

Retrieved 320 of 320 residues in 732.1 ms (Link to these results)

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