A0A096LV37_POEFO Loading...

3-keto-steroid reductase/17-beta-hydroxysteroid dehydrogenase 7

AlphaFold DB , UniProt , Accession A0A096LV37, Species POEFO (Poecilia formosa, Amazon molly), Gene HSD17B7, Length 345 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
1M65.6Low93.5Very high173 Ų17331.4 Ų31.485%0.85216%0.16SC*.  0135.40-153.7167.4176.400106.5K3 R83M1-K3 PolarHBondContact O-N 3.23Å; M1-R83 PolarHBondContact SD-NH1 3.38Å
2E89.8Confident93.2Very high52 Ų5232.6 Ų32.624%0.24317%0.174CC..  trans-60.1129.5-179.2-177.8176.6-143.100109.7R30 R56 R83E2-R30 HydrophobicContact CG-CB 4.11Å; E2-R30 WeakPolarHBondContact OE1-CB 3.23Å; E2-R30 IonicContact OE1-CZ 3.52Å; E2-R30 IonicContact OE1-NE 2.95Å; E2-R30 PolarHBondContact OE1-NE 3.27Å; E2-R30 IonicContact OE1-NH2 3.2Å; E2-R30 PolarHBondContact OE1-NH2 3.07Å; E2-R30 IonicContact OE2-CZ 3.5Å; E2-R30 IonicContact OE2-NE 3.47Å; E2-R30 PolarHBondContact OE2-NE 3.49Å; E2-R30 IonicContact OE2-NH2 2.84Å; E2-R30 PolarHBondContact OE2-NH2 3.42Å; E2-R56 VanDerWaalsContact CD-NH1 3.31Å; E2-R56 WeakPolarHBondContact OE1-CD 3.38Å; E2-R56 IonicContact OE1-CZ 3.62Å; E2-R56 IonicContact OE1-NE 3.78Å; E2-R56 IonicContact OE1-NH1 2.7Å; E2-R56 PolarHBondContact OE1-NH1 2.76Å; E2-R56 IonicContact OE2-NH1 3.47Å; E2-R56 PolarHBondContact OE2-NH1 2.78Å; E2-R83 PolarHBondContact O-NH2 3.26Å
3K96.3Very high93.1Very high70 Ų7032.2 Ų32.230%0.30418%0.182SC..  trans-86.2131.4172.5-67.1176.4-167.11450109.2M1 D26 L29 R30 D85 F86 F272M1-K3 PolarHBondContact O-N 3.23Å; K3-D26 IonicContact NZ-OD2 3.37Å; K3-D26 PolarHBondContact NZ-OD2 3.33Å; K3-L29 HydrophobicContact CB-CB 4.23Å; K3-L29 WeakPolarHBondContact O-CA 3.38Å; K3-R30 PolarHBondContact O-N 3.21Å; K3-D85 WeakPolarHBondContact CA-OD2 3.5Å; K3-D85 HydrophobicContact CB-CB 4.45Å; K3-F86 HydrophobicContact CD-CE2 4.38Å; K3-F272 HydrophobicContact CD-CE2 4.02Å; K3-F272 HydrophobicContact CD-CZ 3.91Å
4I98.3Very high93.2Very high3 Ų331.4 Ų31.42%0.01518%0.176CC..EExtended strand (participates in β ladder)trans-102.1115.1176.9-61172.7000108.1Y81 R83 V84 D85 F86I4-Y81 HydrophobicContact CD1-CD1 3.95Å; I4-Y81 HydrophobicContact CD1-CG 4.18Å; I4-Y81 HydrophobicContact CG2-CD1 4.05Å; I4-Y81 HydrophobicContact CG2-CD2 4.01Å; I4-Y81 HydrophobicContact CG2-CE1 4.33Å; I4-Y81 HydrophobicContact CG2-CE2 4.25Å; I4-Y81 HydrophobicContact CG2-CG 3.9Å; I4-R83 HydrophobicContact CD1-CG 4.18Å; I4-R83 VanDerWaalsContact CD1-O 3.24Å; I4-R83 WeakPolarHBondContact CD1-O 3.43Å; I4-V84 HydrophobicContact CG2-CG2 4.39Å; I4-D85 PolarHBondContact N-OD2 3.04Å; I4-D85 PolarHBondContact O-N 3.47Å; I4-F86 PolarHBondContact O-N 2.87Å; I4-F86 VanDerWaalsContact O-N 3.14Å
5V98.8Very high93.5Very high0 Ų029.3 Ų29.30%017%0.165CC..EExtended strand (participates in β ladder)trans-117.4118.4-176.7-175.60000109.8V7 L22 L29 R30 L31 C32 F86 Y88 F272V5-V7 HydrophobicContact CG1-CG2 4.01Å; V5-L22 HydrophobicContact CG1-CD1 3.89Å; V5-L29 HydrophobicContact CB-CD1 4.5Å; V5-L29 HydrophobicContact CG2-CD1 4.32Å; V5-L29 HydrophobicContact CG2-CD2 4.42Å; V5-R30 PolarHBondContact N-O 3.21Å; V5-L31 HydrophobicContact CB-CD1 4.08Å; V5-L31 HydrophobicContact CG1-CD1 4.03Å; V5-L31 CarbonylContact O-C 3.59Å; V5-L31 WeakPolarHBondContact O-CA 3.22Å; V5-C32 PolarHBondContact O-N 3.01Å; V5-F86 WeakPolarHBondContact CA-O 3.45Å; V5-F86 HydrophobicContact CB-CB 4.32Å; V5-F86 HydrophobicContact CG1-CB 3.89Å; V5-F86 HydrophobicContact CG2-CB 4.1Å; V5-F86 HydrophobicContact CG2-CD2 4.19Å; V5-F86 HydrophobicContact CG2-CG 4.45Å; V5-Y88 HydrophobicContact CG1-CD2 3.77Å; V5-Y88 HydrophobicContact CG1-CE2 3.79Å; V5-F272 HydrophobicContact CG2-CE2 4.47Å
6V98.9Very high93.7Very high0 Ų029.5 Ų29.50%017%0.165CC..EExtended strand (participates in β ladder)trans-105.1127.1175.5-176.80000108.9C32 A34 L77 V84 F86 L87 Y88V6-C32 HydrophobicContact CB-CB 4.48Å; V6-C32 HydrophobicContact CG1-CB 4.48Å; V6-C32 HydrophobicContact CG2-CB 4.08Å; V6-A34 HydrophobicContact CG1-CB 4.16Å; V6-L77 HydrophobicContact CG2-CD2 4.04Å; V6-V84 HydrophobicContact CG2-CG1 4Å; V6-V84 HydrophobicContact CG2-CG2 4.2Å; V6-F86 PolarHBondContact N-O 3.42Å; V6-L87 HydrophobicContact CB-CD1 3.78Å; V6-L87 HydrophobicContact CG1-CD1 3.78Å; V6-L87 WeakPolarHBondContact O-CA 3.44Å; V6-Y88 PolarHBondContact O-N 3.15Å
7V98.9Very high93.9Very high0 Ų028.4 Ų28.40%016%0.161CC..EExtended strand (participates in β ladder)trans-122.4117178.8-172.60000109.7V5 A10 L18 L31 C32 A34 Y88V5-V7 HydrophobicContact CG1-CG2 4.01Å; V7-A10 HydrophobicContact CB-CB 3.82Å; V7-A10 HydrophobicContact CG1-CB 3.76Å; V7-A10 WeakPolarHBondContact O-CB 3.4Å; V7-L18 HydrophobicContact CG1-CD2 4.3Å; V7-L18 HydrophobicContact CG2-CD2 4.42Å; V7-L31 HydrophobicContact CG2-CD1 3.93Å; V7-C32 PolarHBondContact N-O 3.03Å; V7-A34 PolarHBondContact O-N 2.66Å; V7-Y88 HydrophobicContact CG2-CD2 4.04Å; V7-Y88 HydrophobicContact CG2-CG 4.34Å
8T98.7Very high94.2Very high0 Ų026.8 Ų26.80%015%0.152CC..EExtended strand (participates in β ladder)trans-78.4136.5174.163.60000110.7A34 L62 Y88 N90 A91 H146 L149T8-A34 CarbonylContact C-O 3.56Å; T8-A34 WeakPolarHBondContact CA-O 3.37Å; T8-A34 HydrophobicContact CG2-CB 4.44Å; T8-L62 HydrophobicContact CG2-CD2 3.73Å; T8-Y88 PolarHBondContact N-O 3.04Å; T8-Y88 PolarHBondContact OG1-O 2.97Å; T8-N90 WeakPolarHBondContact O-CB 3.37Å; T8-N90 PolarHBondContact O-ND2 2.74Å; T8-N90 PolarHBondContact OG1-N 3.14Å; T8-A91 PolarHBondContact O-N 2.99Å; T8-A91 VanDerWaalsContact O-N 3.13Å; T8-A91 PolarHBondContact OG1-N 3.08Å; T8-A91 VanDerWaalsContact OG1-N 3.07Å; T8-H146 PolarHBondContact OG1-NE2 3.39Å; T8-L149 HydrophobicContact CG2-CD2 4.04Å
9G95.9Very high94.4Very high19 Ų1925.4 Ų25.420%0.19614%0.144CC..THydrogen-bonded Turntrans68.735.5179.800000113.5N11 A34 N90G9-N11 PolarHBondContact O-N 3Å; G9-A34 PolarHBondContact N-O 3.3Å; G9-N90 PolarHBondContact O-ND2 3.31Å
10A95.6Very high94.6Very high0 Ų026.6 Ų26.60%015%0.148CC..THydrogen-bonded Turntrans-86.44.2-171.300000115.5V7 L16 L33V7-A10 HydrophobicContact CB-CB 3.82Å; V7-A10 HydrophobicContact CG1-CB 3.76Å; V7-A10 WeakPolarHBondContact O-CB 3.4Å; A10-L16 WeakPolarHBondContact O-CA 3.45Å; A10-L16 WeakPolarHBondContact O-CB 3.41Å; A10-L33 HydrophobicContact CB-CB 4.08Å; A10-L33 HydrophobicContact CB-CG 3.75Å
11N91.7Very high94.7Very high28 Ų2826.1 Ų26.115%0.1514%0.144CC..THydrogen-bonded Turntrans-86.8-4.4-177.364.6-9.4000114.4G9 C35 R40 A41 A44G9-N11 PolarHBondContact O-N 3Å; N11-C35 HydrophobicContact CB-CB 4.37Å; N11-C35 PolarHBondContact N-SG 3.15Å; N11-R40 HydrophobicContact CB-CB 4.13Å; N11-R40 WeakPolarHBondContact ND2-CB 3.26Å; N11-A41 HydrophobicContact CB-CB 4.39Å; N11-A44 HydrophobicContact CB-CB 4.31Å
12S90.6Very high96.3Very high46 Ų4617.9 Ų17.932%0.32210%0.103SC..SBendtrans-161.9172.7178.962.40000112G15 L16S12-G15 PolarHBondContact O-N 3.44Å; S12-L16 PolarHBondContact O-N 2.89Å
13G91.9Very high96.6Very high27 Ų2715.6 Ų15.628%0.2789%0.093SC..Hα-helixtrans56.4-140.417000000113.5G15 L16 A17 P261G13-G15 VanDerWaalsContact C-N 3.32Å; G13-G15 PolarHBondContact O-N 3.13Å; G13-L16 PolarHBondContact O-N 3.35Å; G13-A17 PolarHBondContact O-N 2.98Å; G13-A17 VanDerWaalsContact O-N 3.1Å; G13-P261 WeakPolarHBondContact O-CB 3.43Å
14I94.7Very high96.7Very high21 Ų2116.3 Ų16.311%0.10811%0.106CC..Hα-helixtrans-62.2-40.2-174.8-62.3160.2000110.9L16 A17 L18 P223 V226 T228 A265 L268I14-L16 PolarHBondContact O-N 2.99Å; I14-A17 PolarHBondContact O-N 3.27Å; I14-L18 WeakPolarHBondContact O-CB 3.41Å; I14-L18 PolarHBondContact O-N 3.44Å; I14-P223 HydrophobicContact CD1-CB 3.57Å; I14-P223 HydrophobicContact CD1-CG 3.74Å; I14-P223 HydrophobicContact CG1-CB 4.48Å; I14-V226 HydrophobicContact CD1-CB 4.29Å; I14-V226 HydrophobicContact CD1-CG1 4.45Å; I14-V226 HydrophobicContact CD1-CG2 3.93Å; I14-V226 HydrophobicContact CG1-CB 4.46Å; I14-V226 HydrophobicContact CG1-CG1 4.11Å; I14-V226 HydrophobicContact CG1-CG2 4.16Å; I14-T228 HydrophobicContact CG1-CG2 4.47Å; I14-A265 HydrophobicContact CG2-CB 4.19Å; I14-L268 HydrophobicContact CG2-CD1 3.49Å; I14-L268 VanDerWaalsContact CG2-CD1 3.49Å
15G96.8Very high96.6Very high0 Ų020.6 Ų20.60%013%0.126CC..Hα-helixtrans-61-45.7179.800000113S12 G13 L18 C19 N90S12-G15 PolarHBondContact O-N 3.44Å; G13-G15 VanDerWaalsContact C-N 3.32Å; G13-G15 PolarHBondContact O-N 3.13Å; G15-L18 PolarHBondContact O-N 3.42Å; G15-C19 PolarHBondContact O-N 3.4Å; G15-C19 VanDerWaalsContact O-N 3.1Å; G15-C19 PolarHBondContact O-SG 3.42Å; G15-N90 WeakPolarHBondContact CA-ND2 3.45Å
16L97.2Very high96.4Very high33 Ų3322.2 Ų22.217%0.17314%0.135CC..Hα-helixtrans-67.5-40176-17955.2000111.9A10 S12 G13 I14 L18 C19 H20 A44 L48A10-L16 WeakPolarHBondContact O-CA 3.45Å; A10-L16 WeakPolarHBondContact O-CB 3.41Å; S12-L16 PolarHBondContact O-N 2.89Å; G13-L16 PolarHBondContact O-N 3.35Å; I14-L16 PolarHBondContact O-N 2.99Å; L16-L18 VanDerWaalsContact C-N 3.33Å; L16-L18 PolarHBondContact O-N 2.96Å; L16-C19 VanDerWaalsContact O-CB 3.32Å; L16-C19 WeakPolarHBondContact O-CB 3.44Å; L16-C19 PolarHBondContact O-N 2.91Å; L16-C19 VanDerWaalsContact O-N 3.14Å; L16-H20 PolarHBondContact O-CD2 3.08Å; L16-H20 PolarHBondContact O-N 2.94Å; L16-H20 VanDerWaalsContact O-N 3.1Å; L16-A44 HydrophobicContact CD1-CB 3.93Å; L16-A44 HydrophobicContact CD2-CB 4.24Å; L16-L48 HydrophobicContact CD1-CD1 4.03Å; L16-L48 HydrophobicContact CD1-CD2 4.16Å; L16-L48 HydrophobicContact CD1-CG 4.03Å
17A97.5Very high96.2Very high11 Ų1124.5 Ų24.59%0.09116%0.158CC..Hα-helixtrans-63.7-39.9177.400000112.1G13 I14 C19 H20 R21 P261 A265G13-A17 PolarHBondContact O-N 2.98Å; G13-A17 VanDerWaalsContact O-N 3.1Å; I14-A17 PolarHBondContact O-N 3.27Å; A17-C19 VanDerWaalsContact C-N 3.32Å; A17-C19 PolarHBondContact O-N 3.48Å; A17-H20 PolarHBondContact O-N 3.47Å; A17-R21 WeakPolarHBondContact O-CG 3.46Å; A17-R21 PolarHBondContact O-N 3Å; A17-R21 VanDerWaalsContact O-N 3.1Å; A17-P261 HydrophobicContact CB-CB 3.9Å; A17-P261 WeakPolarHBondContact CB-O 3.41Å; A17-A265 HydrophobicContact CB-CB 4.23Å
18L98.5Very high96Very high0 Ų032.2 Ų32.20%019%0.194CC..Hα-helixtrans-58-45.2170.8173.464.8000111V7 I14 G15 L16 H20 R21 L22 Y88 A265 L268 H269V7-L18 HydrophobicContact CG1-CD2 4.3Å; V7-L18 HydrophobicContact CG2-CD2 4.42Å; I14-L18 WeakPolarHBondContact O-CB 3.41Å; I14-L18 PolarHBondContact O-N 3.44Å; G15-L18 PolarHBondContact O-N 3.42Å; L16-L18 VanDerWaalsContact C-N 3.33Å; L16-L18 PolarHBondContact O-N 2.96Å; L18-H20 VanDerWaalsContact C-N 3.33Å; L18-H20 PolarHBondContact O-N 2.7Å; L18-R21 PolarHBondContact O-N 3.38Å; L18-R21 VanDerWaalsContact O-N 3.11Å; L18-L22 HydrophobicContact CD1-CD1 3.91Å; L18-L22 HydrophobicContact CD1-CD2 4.15Å; L18-L22 HydrophobicContact CD1-CG 3.76Å; L18-L22 HydrophobicContact CD2-CD1 4.29Å; L18-L22 HydrophobicContact CG-CD1 3.77Å; L18-L22 HydrophobicContact CG-CG 4.07Å; L18-L22 VanDerWaalsContact O-CG 3.31Å; L18-L22 WeakPolarHBondContact O-CG 3.35Å; L18-L22 PolarHBondContact O-N 3.47Å; L18-Y88 HydrophobicContact CD1-CE1 4.25Å; L18-Y88 HydrophobicContact CD2-CD1 3.32Å; L18-Y88 HydrophobicContact CD2-CD2 4.06Å; L18-Y88 HydrophobicContact CD2-CE1 3.55Å; L18-Y88 HydrophobicContact CD2-CE2 4.25Å; L18-Y88 HydrophobicContact CD2-CG 3.59Å; L18-A265 HydrophobicContact CB-CB 4.16Å; L18-L268 HydrophobicContact CD1-CB 3.7Å; L18-L268 HydrophobicContact CD2-CB 4.13Å; L18-L268 HydrophobicContact CD2-CD1 4.16Å; L18-L268 HydrophobicContact CG-CB 4.41Å; L18-H269 HydrophobicContact CD1-CB 4.33Å
19C98.5Very high95.9Very high0 Ų032.2 Ų32.20%019%0.194CC..Hα-helixtrans-57.3-44.9178.4-67.10000112.2G15 L16 A17 R21 L22 L23 L31 L48G15-C19 PolarHBondContact O-N 3.4Å; G15-C19 VanDerWaalsContact O-N 3.1Å; G15-C19 PolarHBondContact O-SG 3.42Å; L16-C19 VanDerWaalsContact O-CB 3.32Å; L16-C19 WeakPolarHBondContact O-CB 3.44Å; L16-C19 PolarHBondContact O-N 2.91Å; L16-C19 VanDerWaalsContact O-N 3.14Å; A17-C19 VanDerWaalsContact C-N 3.32Å; A17-C19 PolarHBondContact O-N 3.48Å; C19-R21 PolarHBondContact O-N 3.18Å; C19-L22 PolarHBondContact O-N 3.06Å; C19-L23 WeakPolarHBondContact O-CG 3.33Å; C19-L23 PolarHBondContact O-N 2.59Å; C19-L31 HydrophobicContact CB-CD2 3.58Å; C19-L48 HydrophobicContact CB-CD1 3.99Å; C19-L48 HydrophobicContact CB-CD2 4.01Å
20H97.6Very high96Very high48 Ų4834.5 Ų34.522%0.22220%0.197CC..Hα-helixtrans-58.3-48.2173.6-81.7-79000111.7L16 A17 L18 L22 L23 S24 L48 T51 H52L16-H20 PolarHBondContact O-CD2 3.08Å; L16-H20 PolarHBondContact O-N 2.94Å; L16-H20 VanDerWaalsContact O-N 3.1Å; A17-H20 PolarHBondContact O-N 3.47Å; L18-H20 VanDerWaalsContact C-N 3.33Å; L18-H20 PolarHBondContact O-N 2.7Å; H20-L22 PolarHBondContact O-N 3.24Å; H20-L23 PolarHBondContact O-N 3.49Å; H20-S24 WeakPolarHBondContact O-CB 3.23Å; H20-S24 PolarHBondContact O-N 2.9Å; H20-S24 PolarHBondContact O-OG 3.39Å; H20-S24 VanDerWaalsContact O-OG 3.04Å; H20-L48 HydrophobicContact CB-CD2 4.36Å; H20-T51 PolarHBondContact CE1-OG1 2.87Å; H20-H52 AromaticContact ND1-CE1 3.88Å
21R97.8Very high96.1Very high18 Ų1834.5 Ų34.57%0.06820%0.197CC..Hα-helixtrans-62.4-43.2-178.8-68.1-175.769.7122.80.7112.5A17 L18 C19 S24 E25 Y262 E266 H269A17-R21 WeakPolarHBondContact O-CG 3.46Å; A17-R21 PolarHBondContact O-N 3Å; A17-R21 VanDerWaalsContact O-N 3.1Å; L18-R21 PolarHBondContact O-N 3.38Å; L18-R21 VanDerWaalsContact O-N 3.11Å; C19-R21 PolarHBondContact O-N 3.18Å; R21-S24 PolarHBondContact O-N 3.03Å; R21-E25 WeakPolarHBondContact O-CB 3.38Å; R21-E25 PolarHBondContact O-N 2.81Å; R21-Y262 HydrophobicContact CG-CD2 4.1Å; R21-Y262 HydrophobicContact CG-CE2 3.53Å; R21-Y262 VanDerWaalsContact NH1-CE1 3.34Å; R21-Y262 PolarHBondContact NH1-O 2.57Å; R21-E266 IonicContact CZ-OE2 2.75Å; R21-E266 IonicContact NH1-OE2 3.23Å; R21-E266 PolarHBondContact NH1-OE2 3.2Å; R21-E266 IonicContact NH2-OE1 3.5Å; R21-E266 IonicContact NH2-OE2 2.81Å; R21-E266 PolarHBondContact NH2-OE2 2.84Å; R21-H269 HydrophobicContact CB-CB 4.18Å; R21-H269 PolarHBondContact NE-ND1 3.17Å; R21-H269 PolarHBondContact NH2-ND1 2.95Å
22L98.3Very high96.5Very high0 Ų033.1 Ų33.10%019%0.19CC..Hα-helixtrans-63.6-43.4178.4-69176.3000111.7V5 L18 C19 H20 S24 E25 D26 L29 L31 Y88 F272V5-L22 HydrophobicContact CG1-CD1 3.89Å; L18-L22 HydrophobicContact CD1-CD1 3.91Å; L18-L22 HydrophobicContact CD1-CD2 4.15Å; L18-L22 HydrophobicContact CD1-CG 3.76Å; L18-L22 HydrophobicContact CD2-CD1 4.29Å; L18-L22 HydrophobicContact CG-CD1 3.77Å; L18-L22 HydrophobicContact CG-CG 4.07Å; L18-L22 VanDerWaalsContact O-CG 3.31Å; L18-L22 WeakPolarHBondContact O-CG 3.35Å; L18-L22 PolarHBondContact O-N 3.47Å; C19-L22 PolarHBondContact O-N 3.06Å; H20-L22 PolarHBondContact O-N 3.24Å; L22-S24 VanDerWaalsContact C-N 3.33Å; L22-E25 PolarHBondContact O-N 2.92Å; L22-D26 PolarHBondContact O-N 3.26Å; L22-L29 HydrophobicContact CB-CD2 3.86Å; L22-L29 WeakPolarHBondContact O-CD2 3.32Å; L22-L31 HydrophobicContact CD1-CD1 4.46Å; L22-Y88 HydrophobicContact CD1-CE2 4.03Å; L22-F272 HydrophobicContact CD2-CB 3.78Å; L22-F272 HydrophobicContact CD2-CD1 3.92Å; L22-F272 HydrophobicContact CD2-CD2 3.58Å; L22-F272 HydrophobicContact CD2-CE1 4.36Å; L22-F272 HydrophobicContact CD2-CE2 4.06Å; L22-F272 HydrophobicContact CD2-CG 3.49Å; L22-F272 VanDerWaalsContact CD2-CG 3.49Å; L22-F272 HydrophobicContact CD2-CZ 4.41Å
23L97.5Very high96.9Very high4 Ų431 Ų312%0.02118%0.175CC..Hα-helixtrans-69.1-31.2177.5-68.5178.8000112.9C19 H20 E25 G27 L29 L31 L48 H52 A55 V57C19-L23 WeakPolarHBondContact O-CG 3.33Å; C19-L23 PolarHBondContact O-N 2.59Å; H20-L23 PolarHBondContact O-N 3.49Å; L23-E25 VanDerWaalsContact C-N 3.35Å; L23-G27 WeakPolarHBondContact O-CA 3.45Å; L23-G27 PolarHBondContact O-N 3.42Å; L23-L29 HydrophobicContact CD2-CD1 3.79Å; L23-L29 HydrophobicContact CD2-CG 4.12Å; L23-L31 HydrophobicContact CD1-CD2 4.17Å; L23-L31 HydrophobicContact CD2-CB 4.44Å; L23-L31 HydrophobicContact CD2-CD2 4.48Å; L23-L31 HydrophobicContact CG-CD2 4.22Å; L23-L48 HydrophobicContact CD1-CB 4.18Å; L23-L48 HydrophobicContact CD1-CD2 4Å; L23-L48 HydrophobicContact CD1-CG 4.48Å; L23-H52 HydrophobicContact CB-CB 4.36Å; L23-H52 HydrophobicContact CD1-CB 4.23Å; L23-A55 HydrophobicContact CD1-CB 3.87Å; L23-A55 HydrophobicContact CD2-CB 3.72Å; L23-A55 HydrophobicContact CG-CB 4.36Å; L23-V57 HydrophobicContact CD1-CG2 4.13Å
24S96.5Very high97.2Very high84 Ų8429.7 Ų29.759%0.58716%0.162SC*.Hα-helixtrans-70.5-32.7172.2-630000112.2H20 R21 L22 H52H20-S24 WeakPolarHBondContact O-CB 3.23Å; H20-S24 PolarHBondContact O-N 2.9Å; H20-S24 PolarHBondContact O-OG 3.39Å; H20-S24 VanDerWaalsContact O-OG 3.04Å; R21-S24 PolarHBondContact O-N 3.03Å; L22-S24 VanDerWaalsContact C-N 3.33Å; S24-H52 PolarHBondContact N-NE2 3.2Å; S24-H52 PolarHBondContact OG-NE2 3Å
25E96.7Very high97.3Very high93 Ų9328.8 Ų28.844%0.43516%0.157SC..Hα-helixtrans-75.8-47.2177.9-172.766-137.400112.3R21 L22 L23 H269 F272 L273R21-E25 WeakPolarHBondContact O-CB 3.38Å; R21-E25 PolarHBondContact O-N 2.81Å; L22-E25 PolarHBondContact O-N 2.92Å; L23-E25 VanDerWaalsContact C-N 3.35Å; E25-H269 IonicContact OE2-CE1 2.65Å; E25-H269 PolarHBondContact OE2-CE1 3.4Å; E25-H269 IonicContact OE2-NE2 3.48Å; E25-H269 PolarHBondContact OE2-NE2 2.94Å; E25-F272 HydrophobicContact CB-CE1 4.36Å; E25-F272 HydrophobicContact CG-CD1 4Å; E25-F272 HydrophobicContact CG-CE1 3.79Å; E25-L273 HydrophobicContact CG-CD2 3.79Å; E25-L273 WeakPolarHBondContact OE1-CD2 3.14Å
26D95.9Very high97.3Very high34 Ų3435.4 Ų35.418%0.18218%0.182CC..  trans-142.286.4-174-177.1-7.8000109.5K3 L22 Q28 L29 F272K3-D26 IonicContact NZ-OD2 3.37Å; K3-D26 PolarHBondContact NZ-OD2 3.33Å; L22-D26 PolarHBondContact O-N 3.26Å; D26-Q28 PolarHBondContact O-N 2.95Å; D26-Q28 PolarHBondContact OD1-N 3.01Å; D26-L29 HydrophobicContact CB-CD2 4.18Å; D26-L29 VanDerWaalsContact O-CD2 3.28Å; D26-L29 WeakPolarHBondContact O-CD2 3.48Å; D26-L29 WeakPolarHBondContact O-CG 3.31Å; D26-L29 PolarHBondContact O-N 2.9Å; D26-L29 VanDerWaalsContact O-N 3.17Å; D26-F272 HydrophobicContact CB-CE1 4.2Å; D26-F272 HydrophobicContact CB-CZ 4.1Å
27G93.4Very high97.3Very high48 Ų4837 Ų3750%0.49519%0.191SC..THydrogen-bonded Turntrans-66.4-4.5-179.600000114.9L23L23-G27 WeakPolarHBondContact O-CA 3.45Å; L23-G27 PolarHBondContact O-N 3.42Å
28Q94.4Very high97.3Very high162 Ų16239.1 Ų39.176%0.75720%0.199SC*.THydrogen-bonded Turntrans-93.5-9.6176.5-60-174.36.900113D26D26-Q28 PolarHBondContact O-N 2.95Å; D26-Q28 PolarHBondContact OD1-N 3.01Å
29L96.9Very high97.3Very high0 Ų047.3 Ų47.30%024%0.235CC..SBendtrans-66152.3176.974.283.4000111.2K3 V5 L22 L23 D26 L31 F272K3-L29 HydrophobicContact CB-CB 4.23Å; K3-L29 WeakPolarHBondContact O-CA 3.38Å; V5-L29 HydrophobicContact CB-CD1 4.5Å; V5-L29 HydrophobicContact CG2-CD1 4.32Å; V5-L29 HydrophobicContact CG2-CD2 4.42Å; L22-L29 HydrophobicContact CB-CD2 3.86Å; L22-L29 WeakPolarHBondContact O-CD2 3.32Å; L23-L29 HydrophobicContact CD2-CD1 3.79Å; L23-L29 HydrophobicContact CD2-CG 4.12Å; D26-L29 HydrophobicContact CB-CD2 4.18Å; D26-L29 VanDerWaalsContact O-CD2 3.28Å; D26-L29 WeakPolarHBondContact O-CD2 3.48Å; D26-L29 WeakPolarHBondContact O-CG 3.31Å; D26-L29 PolarHBondContact O-N 2.9Å; D26-L29 VanDerWaalsContact O-N 3.17Å; L29-L31 HydrophobicContact CD1-CB 3.63Å; L29-L31 HydrophobicContact CD1-CD1 4.21Å; L29-L31 HydrophobicContact CD1-CG 4.45Å; L29-F272 HydrophobicContact CD2-CZ 4.3Å
30R98.2Very high97.2Very high67 Ų6754.1 Ų54.125%0.25326%0.261SS..EExtended strand (participates in β ladder)trans-98.4120.3166.9-169.2175.2-60.4-162.89.5109.2E2 K3 V5 R56 D58E2-R30 HydrophobicContact CG-CB 4.11Å; E2-R30 WeakPolarHBondContact OE1-CB 3.23Å; E2-R30 IonicContact OE1-CZ 3.52Å; E2-R30 IonicContact OE1-NE 2.95Å; E2-R30 PolarHBondContact OE1-NE 3.27Å; E2-R30 IonicContact OE1-NH2 3.2Å; E2-R30 PolarHBondContact OE1-NH2 3.07Å; E2-R30 IonicContact OE2-CZ 3.5Å; E2-R30 IonicContact OE2-NE 3.47Å; E2-R30 PolarHBondContact OE2-NE 3.49Å; E2-R30 IonicContact OE2-NH2 2.84Å; E2-R30 PolarHBondContact OE2-NH2 3.42Å; K3-R30 PolarHBondContact O-N 3.21Å; V5-R30 PolarHBondContact N-O 3.21Å; R30-R56 HydrophobicContact CB-CB 4.38Å; R30-R56 HydrophobicContact CG-CB 4.03Å; R30-D58 VanDerWaalsContact CD-OD2 3.31Å; R30-D58 WeakPolarHBondContact CD-OD2 3.24Å
31L98.6Very high97.2Very high0 Ų051.9 Ų51.90%025%0.25CS..EExtended strand (participates in β ladder)trans-104.1130.4-177.5-17167.3000109.8V5 V7 C19 L22 L23 L29 L33 L48 R56 V57 D58V5-L31 HydrophobicContact CB-CD1 4.08Å; V5-L31 HydrophobicContact CG1-CD1 4.03Å; V5-L31 CarbonylContact O-C 3.59Å; V5-L31 WeakPolarHBondContact O-CA 3.22Å; V7-L31 HydrophobicContact CG2-CD1 3.93Å; C19-L31 HydrophobicContact CB-CD2 3.58Å; L22-L31 HydrophobicContact CD1-CD1 4.46Å; L23-L31 HydrophobicContact CD1-CD2 4.17Å; L23-L31 HydrophobicContact CD2-CB 4.44Å; L23-L31 HydrophobicContact CD2-CD2 4.48Å; L23-L31 HydrophobicContact CG-CD2 4.22Å; L29-L31 HydrophobicContact CD1-CB 3.63Å; L29-L31 HydrophobicContact CD1-CD1 4.21Å; L29-L31 HydrophobicContact CD1-CG 4.45Å; L31-L33 HydrophobicContact CD2-CD1 3.54Å; L31-L33 HydrophobicContact CG-CD1 3.65Å; L31-L48 HydrophobicContact CD2-CD1 4.24Å; L31-R56 PolarHBondContact N-O 2.88Å; L31-V57 HydrophobicContact CD2-CG1 4.49Å; L31-V57 CarbonylContact O-C 3.54Å; L31-V57 WeakPolarHBondContact O-CA 3.5Å; L31-D58 PolarHBondContact O-N 2.88Å
32C98.8Very high97.3Very high0 Ų055.9 Ų55.90%027%0.27CS..EExtended strand (participates in β ladder)trans-114113.6173.5-178.20000109.9V5 V6 V7 A34 D58 L60 Y81V5-C32 PolarHBondContact O-N 3.01Å; V6-C32 HydrophobicContact CB-CB 4.48Å; V6-C32 HydrophobicContact CG1-CB 4.48Å; V6-C32 HydrophobicContact CG2-CB 4.08Å; V7-C32 PolarHBondContact N-O 3.03Å; C32-A34 PolarHBondContact O-N 3.13Å; C32-D58 WeakPolarHBondContact CA-O 3.5Å; C32-D58 HydrophobicContact CB-CB 4.38Å; C32-L60 VanDerWaalsContact SG-CB 3.59Å; C32-Y81 HydrophobicContact CB-CE2 4.27Å
33L98.8Very high97.2Very high0 Ų058.9 Ų58.90%030%0.295CS..EExtended strand (participates in β ladder)trans-85.499.4175.9-79.556.1000108.4A10 L31 A44 R45 L48 V57 D58 L59 L60A10-L33 HydrophobicContact CB-CB 4.08Å; A10-L33 HydrophobicContact CB-CG 3.75Å; L31-L33 HydrophobicContact CD2-CD1 3.54Å; L31-L33 HydrophobicContact CG-CD1 3.65Å; L33-A44 HydrophobicContact CD2-CB 4.18Å; L33-R45 HydrophobicContact CD2-CB 4.49Å; L33-L48 HydrophobicContact CD1-CD1 4.23Å; L33-L48 HydrophobicContact CD2-CD1 3.94Å; L33-V57 HydrophobicContact CD1-CG1 3.44Å; L33-V57 VanDerWaalsContact CD1-CG1 3.44Å; L33-V57 HydrophobicContact CD2-CG1 4.21Å; L33-V57 HydrophobicContact CG-CG1 4.41Å; L33-D58 PolarHBondContact N-O 2.85Å; L33-L59 HydrophobicContact CB-CD2 3.81Å; L33-L59 HydrophobicContact CD2-CD2 4.07Å; L33-L60 PolarHBondContact O-N 3.45Å
34A98.6Very high97.2Very high1 Ų158.9 Ų58.91%0.00830%0.296CS..EExtended strand (participates in β ladder)trans-89.9106.9178.100000110.1V6 V7 T8 G9 C32 L60 L62V6-A34 HydrophobicContact CG1-CB 4.16Å; V7-A34 PolarHBondContact O-N 2.66Å; T8-A34 CarbonylContact C-O 3.56Å; T8-A34 WeakPolarHBondContact CA-O 3.37Å; T8-A34 HydrophobicContact CG2-CB 4.44Å; G9-A34 PolarHBondContact N-O 3.3Å; C32-A34 PolarHBondContact O-N 3.13Å; A34-L60 CarbonylContact C-O 3.49Å; A34-L60 WeakPolarHBondContact CA-O 3.32Å; A34-L60 HydrophobicContact CB-CB 4.28Å; A34-L60 HydrophobicContact CB-CD2 3.97Å; A34-L60 HydrophobicContact CB-CG 4.39Å; A34-L62 HydrophobicContact CB-CB 4.04Å; A34-L62 HydrophobicContact CB-CD2 3.7Å
35C98.1Very high97.3Very high1 Ų159.2 Ų59.21%0.00728%0.284CS..EExtended strand (participates in β ladder)trans-139.9144.1-167.6-63.90000112.7N11 A41 L60 H61 L62N11-C35 HydrophobicContact CB-CB 4.37Å; N11-C35 PolarHBondContact N-SG 3.15Å; C35-A41 HydrophobicContact CB-CB 3.78Å; C35-L60 PolarHBondContact N-O 2.98Å; C35-H61 WeakPolarHBondContact O-CA 3.2Å; C35-L62 CarbonylContact C-O 3.43Å; C35-L62 PolarHBondContact O-N 2.97Å
36R96.6Very high97.4Very high140 Ų14057.4 Ų57.453%0.52828%0.284SS..SBendtrans-69.7-42173.1-178.9174.573.5-179.92112.8H61 L62 D63R36-H61 PolarHBondContact O-NE2 3.05Å; R36-L62 WeakPolarHBondContact CA-O 3.08Å; R36-L62 PolarHBondContact N-O 3.21Å; R36-D63 HydrophobicContact CB-CB 4.3Å; R36-D63 WeakPolarHBondContact CD-OD2 3.49Å; R36-D63 HydrophobicContact CG-CB 3.92Å; R36-D63 IonicContact NH1-OD2 2.96Å
37N96.6Very high97.4Very high66 Ų6658 Ų5835%0.35329%0.294SS..  trans-99.6100.6-177.6-173.8-45.6000110.3K39 R40 A41N37-K39 PolarHBondContact O-N 3.18Å; N37-K39 PolarHBondContact OD1-N 3.5Å; N37-R40 HydrophobicContact CB-CB 4.26Å; N37-R40 HydrophobicContact CB-CG 4.44Å; N37-R40 PolarHBondContact O-N 3.15Å; N37-R40 PolarHBondContact OD1-N 3.44Å; N37-A41 PolarHBondContact O-N 2.79Å
38M97.9Very high97.6Very high55 Ų5555.7 Ų55.727%0.27127%0.271SS..Hα-helixtrans-66.8-34.9-176.1-64-53.9-67.500113.6R40 A41 E42 L59 H61M38-R40 VanDerWaalsContact C-N 3.32Å; M38-R40 PolarHBondContact O-N 3.31Å; M38-A41 CarbonylContact O-C 3.58Å; M38-A41 WeakPolarHBondContact O-CB 3.39Å; M38-A41 PolarHBondContact O-N 3.48Å; M38-A41 VanDerWaalsContact O-N 3.08Å; M38-E42 WeakPolarHBondContact O-CG 3.33Å; M38-E42 PolarHBondContact O-N 3.09Å; M38-L59 HydrophobicContact CE-CB 3.68Å; M38-L59 HydrophobicContact CE-CD1 4.27Å; M38-H61 HydrophobicContact CG-CB 4.26Å; M38-H61 HydrophobicContact SD-CB 3.83Å
39K97.7Very high97.7Very high173 Ų17350.9 Ų50.975%0.75225%0.25SC*.Hα-helixtrans-60.1-43.3175.1-65.4-175.3178.5-177.80111.6N37 A43N37-K39 PolarHBondContact O-N 3.18Å; N37-K39 PolarHBondContact OD1-N 3.5Å; K39-A43 PolarHBondContact O-N 3.29Å; K39-A43 VanDerWaalsContact O-N 3.17Å
40R96.8Very high97.7Very high143 Ų14356.9 Ų56.954%0.5429%0.286SS..Hα-helixtrans-68.8-35.2174.4-71.7-175.2177.6-178.60.4112N11 N37 M38 A43 A44N11-R40 HydrophobicContact CB-CB 4.13Å; N11-R40 WeakPolarHBondContact ND2-CB 3.26Å; N37-R40 HydrophobicContact CB-CB 4.26Å; N37-R40 HydrophobicContact CB-CG 4.44Å; N37-R40 PolarHBondContact O-N 3.15Å; N37-R40 PolarHBondContact OD1-N 3.44Å; M38-R40 VanDerWaalsContact C-N 3.32Å; M38-R40 PolarHBondContact O-N 3.31Å; R40-A43 PolarHBondContact O-N 3.03Å; R40-A44 WeakPolarHBondContact O-CB 3.34Å; R40-A44 PolarHBondContact O-N 3.26Å
41A97.9Very high97.5Very high0 Ų057.7 Ų57.70%030%0.299CS..Hα-helixtrans-66.8-40.8177.100000112N11 C35 N37 M38 A44 R45 L59N11-A41 HydrophobicContact CB-CB 4.39Å; C35-A41 HydrophobicContact CB-CB 3.78Å; N37-A41 PolarHBondContact O-N 2.79Å; M38-A41 CarbonylContact O-C 3.58Å; M38-A41 WeakPolarHBondContact O-CB 3.39Å; M38-A41 PolarHBondContact O-N 3.48Å; M38-A41 VanDerWaalsContact O-N 3.08Å; A41-A44 PolarHBondContact O-N 3.42Å; A41-R45 WeakPolarHBondContact O-CB 3.21Å; A41-R45 PolarHBondContact O-N 3.28Å; A41-L59 HydrophobicContact CB-CD2 3.98Å
42E98.4Very high97.4Very high102 Ų10259.4 Ų59.448%0.47731%0.306SS..Hα-helixtrans-61.4-45.3173.4-74.5171.6-177.200111.8M38 A44 R45 A46 L59M38-E42 WeakPolarHBondContact O-CG 3.33Å; M38-E42 PolarHBondContact O-N 3.09Å; E42-A44 PolarHBondContact O-N 2.99Å; E42-R45 PolarHBondContact O-N 3.48Å; E42-A46 WeakPolarHBondContact O-CB 3.37Å; E42-A46 PolarHBondContact O-N 3.42Å; E42-L59 HydrophobicContact CB-CD1 4.35Å; E42-L59 HydrophobicContact CG-CD1 3.58Å
43A97.8Very high97Very high63 Ų6364.9 Ų64.952%0.52135%0.345SS..Hα-helixtrans-61.4-43.4175.200000111.9K39 R40 A46 A47K39-A43 PolarHBondContact O-N 3.29Å; K39-A43 VanDerWaalsContact O-N 3.17Å; R40-A43 PolarHBondContact O-N 3.03Å; A43-A46 PolarHBondContact O-N 3.45Å; A43-A47 PolarHBondContact O-N 2.96Å
44A97.8Very high96.6Very high5 Ų568 Ų684%0.04138%0.378CS..Hα-helixtrans-62.7-44.917600000112N11 L16 L33 R40 A41 E42 A46 A47 L48N11-A44 HydrophobicContact CB-CB 4.31Å; L16-A44 HydrophobicContact CD1-CB 3.93Å; L16-A44 HydrophobicContact CD2-CB 4.24Å; L33-A44 HydrophobicContact CD2-CB 4.18Å; R40-A44 WeakPolarHBondContact O-CB 3.34Å; R40-A44 PolarHBondContact O-N 3.26Å; A41-A44 PolarHBondContact O-N 3.42Å; E42-A44 PolarHBondContact O-N 2.99Å; A44-A46 PolarHBondContact O-N 2.92Å; A44-A47 PolarHBondContact O-N 3.21Å; A44-L48 WeakPolarHBondContact O-CG 3.45Å; A44-L48 PolarHBondContact O-N 3.47Å
45R98.4Very high96.5Very high91 Ų9168.6 Ų68.634%0.34338%0.382SS..Hα-helixtrans-58.8-46.6174178.4-178.373.6-179.62.4111.5L33 A41 E42 A47 L48 L49 V57 L59L33-R45 HydrophobicContact CD2-CB 4.49Å; A41-R45 WeakPolarHBondContact O-CB 3.21Å; A41-R45 PolarHBondContact O-N 3.28Å; E42-R45 PolarHBondContact O-N 3.48Å; R45-A47 VanDerWaalsContact C-N 3.31Å; R45-A47 PolarHBondContact O-N 3Å; R45-L48 PolarHBondContact O-N 3.17Å; R45-L49 HydrophobicContact CG-CD1 3.84Å; R45-L49 HydrophobicContact CG-CG 4.28Å; R45-L49 WeakPolarHBondContact O-CG 3.33Å; R45-L49 PolarHBondContact O-N 3.35Å; R45-V57 HydrophobicContact CB-CG1 4.2Å; R45-V57 VanDerWaalsContact CD-O 3.23Å; R45-V57 WeakPolarHBondContact CD-O 3.26Å; R45-V57 HydrophobicContact CG-CB 3.95Å; R45-V57 HydrophobicContact CG-CG1 3.75Å; R45-L59 HydrophobicContact CB-CD2 3.98Å
46A97.7Very high96.5Very high54 Ų5475.1 Ų75.145%0.44641%0.407SS..Hα-helixtrans-58.7-44.5178.400000111.3E42 A43 A44 L48 L49 V50E42-A46 WeakPolarHBondContact O-CB 3.37Å; E42-A46 PolarHBondContact O-N 3.42Å; A43-A46 PolarHBondContact O-N 3.45Å; A44-A46 PolarHBondContact O-N 2.92Å; A46-L48 PolarHBondContact O-N 2.97Å; A46-L49 PolarHBondContact O-N 3.39Å; A46-V50 WeakPolarHBondContact O-CG2 3.5Å; A46-V50 PolarHBondContact O-N 3.22Å
47A96.3Very high96.6Very high47 Ų4769 Ų6939%0.38839%0.385SS..Hα-helixtrans-63.1-39.8176.300000113.1A43 A44 R45 V50 T51A43-A47 PolarHBondContact O-N 2.96Å; A44-A47 PolarHBondContact O-N 3.21Å; R45-A47 VanDerWaalsContact C-N 3.31Å; R45-A47 PolarHBondContact O-N 3Å; A47-V50 PolarHBondContact O-N 3.35Å; A47-T51 PolarHBondContact O-N 3.5Å; A47-T51 PolarHBondContact O-OG1 3.13Å
48L97.6Very high96.6Very high0 Ų068.1 Ų68.10%038%0.38CS..Hα-helixtrans-62.4-45.3174.1-71166.6000111.1L16 C19 H20 L23 L31 L33 A44 R45 A46 V50 T51 H52 V57L16-L48 HydrophobicContact CD1-CD1 4.03Å; L16-L48 HydrophobicContact CD1-CD2 4.16Å; L16-L48 HydrophobicContact CD1-CG 4.03Å; C19-L48 HydrophobicContact CB-CD1 3.99Å; C19-L48 HydrophobicContact CB-CD2 4.01Å; H20-L48 HydrophobicContact CB-CD2 4.36Å; L23-L48 HydrophobicContact CD1-CB 4.18Å; L23-L48 HydrophobicContact CD1-CD2 4Å; L23-L48 HydrophobicContact CD1-CG 4.48Å; L31-L48 HydrophobicContact CD2-CD1 4.24Å; L33-L48 HydrophobicContact CD1-CD1 4.23Å; L33-L48 HydrophobicContact CD2-CD1 3.94Å; A44-L48 WeakPolarHBondContact O-CG 3.45Å; A44-L48 PolarHBondContact O-N 3.47Å; R45-L48 PolarHBondContact O-N 3.17Å; A46-L48 PolarHBondContact O-N 2.97Å; L48-V50 VanDerWaalsContact C-N 3.32Å; L48-V50 PolarHBondContact O-N 2.84Å; L48-T51 PolarHBondContact O-N 3.31Å; L48-T51 VanDerWaalsContact O-N 3.15Å; L48-T51 PolarHBondContact O-OG1 2.95Å; L48-H52 WeakPolarHBondContact O-CB 3.37Å; L48-H52 PolarHBondContact O-N 3.06Å; L48-H52 PolarHBondContact O-ND1 3.48Å; L48-V57 HydrophobicContact CD1-CG1 4.24Å
49L97.6Very high96.7Very high61 Ų6166.4 Ų66.432%0.31937%0.372SS..Hα-helixtrans-70.3-25.3-179.2-67.5174.4000113.4R45 A46 T51 H52 S53 A55 V57R45-L49 HydrophobicContact CG-CD1 3.84Å; R45-L49 HydrophobicContact CG-CG 4.28Å; R45-L49 WeakPolarHBondContact O-CG 3.33Å; R45-L49 PolarHBondContact O-N 3.35Å; A46-L49 PolarHBondContact O-N 3.39Å; L49-T51 VanDerWaalsContact C-N 3.31Å; L49-H52 CarbonylContact O-C 3.5Å; L49-S53 WeakPolarHBondContact O-CA 3.45Å; L49-S53 PolarHBondContact O-N 2.89Å; L49-A55 HydrophobicContact CD2-CB 4.35Å; L49-A55 WeakPolarHBondContact CD2-O 3.39Å; L49-V57 HydrophobicContact CD2-CG2 4.12Å
50V96.3Very high96.7Very high125 Ų12558.2 Ų58.276%0.75834%0.337SS*.Hα-helixtrans-64.2-39170.4167.50000111.2A46 A47 L48A46-V50 WeakPolarHBondContact O-CG2 3.5Å; A46-V50 PolarHBondContact O-N 3.22Å; A47-V50 PolarHBondContact O-N 3.35Å; L48-V50 VanDerWaalsContact C-N 3.32Å; L48-V50 PolarHBondContact O-N 2.84Å
51T94Very high96.8Very high85 Ų8555.7 Ų55.752%0.52133%0.331SS..Hα-helixtrans-89.1-24.9-178.847.20000113.1H20 A47 L48 L49H20-T51 PolarHBondContact CE1-OG1 2.87Å; A47-T51 PolarHBondContact O-N 3.5Å; A47-T51 PolarHBondContact O-OG1 3.13Å; L48-T51 PolarHBondContact O-N 3.31Å; L48-T51 VanDerWaalsContact O-N 3.15Å; L48-T51 PolarHBondContact O-OG1 2.95Å; L49-T51 VanDerWaalsContact C-N 3.31Å
52H95.4Very high96.9Very high35 Ų3555.9 Ų55.916%0.16233%0.332CS..  trans-135.172.1-176.2-54.282.9000109.6H20 L23 S24 L48 L49 G54 A55H20-H52 AromaticContact ND1-CE1 3.88Å; L23-H52 HydrophobicContact CB-CB 4.36Å; L23-H52 HydrophobicContact CD1-CB 4.23Å; S24-H52 PolarHBondContact N-NE2 3.2Å; S24-H52 PolarHBondContact OG-NE2 3Å; L48-H52 WeakPolarHBondContact O-CB 3.37Å; L48-H52 PolarHBondContact O-N 3.06Å; L48-H52 PolarHBondContact O-ND1 3.48Å; L49-H52 CarbonylContact O-C 3.5Å; H52-G54 PolarHBondContact O-N 2.99Å; H52-G54 VanDerWaalsContact O-N 3.13Å; H52-A55 HydrophobicContact CB-CB 3.83Å; H52-A55 VanDerWaalsContact O-CB 3.26Å; H52-A55 WeakPolarHBondContact O-CB 3.46Å; H52-A55 PolarHBondContact O-N 3.31Å
53S91.5Very high96.8Very high115 Ų11552.9 Ų52.980%0.80432%0.319SS*.THydrogen-bonded Turntrans-61.4-23.7-170.156.20000115.5L49L49-S53 WeakPolarHBondContact O-CA 3.45Å; L49-S53 PolarHBondContact O-N 2.89Å
54G90.9Very high96.8Very high67 Ų6750.2 Ų50.269%0.69130%0.296SS*.THydrogen-bonded Turntrans-92.9-1.7175.900000115.1H52H52-G54 PolarHBondContact O-N 2.99Å; H52-G54 VanDerWaalsContact O-N 3.13Å
55A95.4Very high96.7Very high13 Ų1350.4 Ų50.411%0.10730%0.299CS..  trans-70.6145.2-174.700000112.3L23 L49 H52 V57L23-A55 HydrophobicContact CD1-CB 3.87Å; L23-A55 HydrophobicContact CD2-CB 3.72Å; L23-A55 HydrophobicContact CG-CB 4.36Å; L49-A55 HydrophobicContact CD2-CB 4.35Å; L49-A55 WeakPolarHBondContact CD2-O 3.39Å; H52-A55 HydrophobicContact CB-CB 3.83Å; H52-A55 VanDerWaalsContact O-CB 3.26Å; H52-A55 WeakPolarHBondContact O-CB 3.46Å; H52-A55 PolarHBondContact O-N 3.31Å; A55-V57 HydrophobicContact CB-CG2 3.98Å
56R97.4Very high96.7Very high138 Ų13847.2 Ų47.252%0.52129%0.291SS..EExtended strand (participates in β ladder)trans-96.1106.2173.1-64.7174.6-177.1-179.30.2109E2 R30 L31E2-R56 VanDerWaalsContact CD-NH1 3.31Å; E2-R56 WeakPolarHBondContact OE1-CD 3.38Å; E2-R56 IonicContact OE1-CZ 3.62Å; E2-R56 IonicContact OE1-NE 3.78Å; E2-R56 IonicContact OE1-NH1 2.7Å; E2-R56 PolarHBondContact OE1-NH1 2.76Å; E2-R56 IonicContact OE2-NH1 3.47Å; E2-R56 PolarHBondContact OE2-NH1 2.78Å; R30-R56 HydrophobicContact CB-CB 4.38Å; R30-R56 HydrophobicContact CG-CB 4.03Å; L31-R56 PolarHBondContact N-O 2.88Å
57V98.3Very high96.6Very high12 Ų1245 Ų457%0.07327%0.271CS..EExtended strand (participates in β ladder)trans-124101.2-174.2-171.40000110.4L23 L31 L33 R45 L48 L49 A55L23-V57 HydrophobicContact CD1-CG2 4.13Å; L31-V57 HydrophobicContact CD2-CG1 4.49Å; L31-V57 CarbonylContact O-C 3.54Å; L31-V57 WeakPolarHBondContact O-CA 3.5Å; L33-V57 HydrophobicContact CD1-CG1 3.44Å; L33-V57 VanDerWaalsContact CD1-CG1 3.44Å; L33-V57 HydrophobicContact CD2-CG1 4.21Å; L33-V57 HydrophobicContact CG-CG1 4.41Å; R45-V57 HydrophobicContact CB-CG1 4.2Å; R45-V57 VanDerWaalsContact CD-O 3.23Å; R45-V57 WeakPolarHBondContact CD-O 3.26Å; R45-V57 HydrophobicContact CG-CB 3.95Å; R45-V57 HydrophobicContact CG-CG1 3.75Å; L48-V57 HydrophobicContact CD1-CG1 4.24Å; L49-V57 HydrophobicContact CD2-CG2 4.12Å; A55-V57 HydrophobicContact CB-CG2 3.98Å
58D98.4Very high96.6Very high47 Ų4746.9 Ų46.925%0.25127%0.272SS..EExtended strand (participates in β ladder)trans-85.8152.4176.2-63.8-30.6000110.8R30 L31 C32 L33 Y81R30-D58 VanDerWaalsContact CD-OD2 3.31Å; R30-D58 WeakPolarHBondContact CD-OD2 3.24Å; L31-D58 PolarHBondContact O-N 2.88Å; C32-D58 WeakPolarHBondContact CA-O 3.5Å; C32-D58 HydrophobicContact CB-CB 4.38Å; L33-D58 PolarHBondContact N-O 2.85Å; D58-Y81 VanDerWaalsContact CB-OH 3.32Å; D58-Y81 WeakPolarHBondContact CB-OH 3.36Å; D58-Y81 PolarHBondContact OD2-OH 3.02Å
59L98.8Very high96.6Very high19 Ų1947.6 Ų47.610%0.09928%0.277CS..EExtended strand (participates in β ladder)trans-113.4139.4172.1-59.4-178.2000109.5L33 M38 A41 E42 R45 R80L33-L59 HydrophobicContact CB-CD2 3.81Å; L33-L59 HydrophobicContact CD2-CD2 4.07Å; M38-L59 HydrophobicContact CE-CB 3.68Å; M38-L59 HydrophobicContact CE-CD1 4.27Å; A41-L59 HydrophobicContact CB-CD2 3.98Å; E42-L59 HydrophobicContact CB-CD1 4.35Å; E42-L59 HydrophobicContact CG-CD1 3.58Å; R45-L59 HydrophobicContact CB-CD2 3.98Å; L59-R80 PolarHBondContact O-NH1 3.35Å
60L98.7Very high96.7Very high1 Ų144.7 Ų44.71%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-132.2127.2175.7173.667.4000108.6C32 L33 A34 C35 L62 A73 E76 L77C32-L60 VanDerWaalsContact SG-CB 3.59Å; L33-L60 PolarHBondContact O-N 3.45Å; A34-L60 CarbonylContact C-O 3.49Å; A34-L60 WeakPolarHBondContact CA-O 3.32Å; A34-L60 HydrophobicContact CB-CB 4.28Å; A34-L60 HydrophobicContact CB-CD2 3.97Å; A34-L60 HydrophobicContact CB-CG 4.39Å; C35-L60 PolarHBondContact N-O 2.98Å; L60-L62 PolarHBondContact O-N 2.91Å; L60-A73 HydrophobicContact CD1-CB 4.13Å; L60-A73 HydrophobicContact CD2-CB 4.18Å; L60-A73 HydrophobicContact CG-CB 4.26Å; L60-E76 HydrophobicContact CD1-CB 3.95Å; L60-E76 HydrophobicContact CD1-CG 3.79Å; L60-E76 WeakPolarHBondContact CD1-OE1 3.38Å; L60-L77 HydrophobicContact CD2-CD1 3.71Å; L60-L77 HydrophobicContact CD2-CD2 3.69Å; L60-L77 HydrophobicContact CD2-CG 3.56Å
61H98.7Very high96.7Very high89 Ų8940 Ų4041%0.41223%0.233SC..EExtended strand (participates in β ladder)trans-72.9119.9170.8178.2-89.5000109.4C35 R36 M38C35-H61 WeakPolarHBondContact O-CA 3.2Å; R36-H61 PolarHBondContact O-NE2 3.05Å; M38-H61 HydrophobicContact CG-CB 4.26Å; M38-H61 HydrophobicContact SD-CB 3.83Å
62L98.6Very high96.9Very high4 Ų439 Ų392%0.02123%0.228CC..  trans-147.7108.7177.8174.461.7000110.4T8 A34 C35 R36 L60 V64 V70 A73 L149T8-L62 HydrophobicContact CG2-CD2 3.73Å; A34-L62 HydrophobicContact CB-CB 4.04Å; A34-L62 HydrophobicContact CB-CD2 3.7Å; C35-L62 CarbonylContact C-O 3.43Å; C35-L62 PolarHBondContact O-N 2.97Å; R36-L62 WeakPolarHBondContact CA-O 3.08Å; R36-L62 PolarHBondContact N-O 3.21Å; L60-L62 PolarHBondContact O-N 2.91Å; L62-V64 HydrophobicContact CD1-CG2 4.3Å; L62-V64 HydrophobicContact CD2-CG2 3.83Å; L62-V64 HydrophobicContact CG-CG2 3.77Å; L62-V70 HydrophobicContact CD1-CB 4.47Å; L62-V70 HydrophobicContact CD1-CG2 3.94Å; L62-A73 HydrophobicContact CB-CB 4.24Å; L62-A73 HydrophobicContact CD1-CB 3.76Å; L62-A73 HydrophobicContact CG-CB 4.5Å; L62-L149 HydrophobicContact CD2-CD2 3.96Å
63D98.1Very high97.1Very high39 Ų3937.4 Ų37.421%0.20922%0.221CC..  trans-91.5103.5157.7-167.1-10.3000109.6R36 G65 S66 S69R36-D63 HydrophobicContact CB-CB 4.3Å; R36-D63 WeakPolarHBondContact CD-OD2 3.49Å; R36-D63 HydrophobicContact CG-CB 3.92Å; R36-D63 IonicContact NH1-OD2 2.96Å; D63-G65 PolarHBondContact O-N 3.06Å; D63-G65 PolarHBondContact OD1-N 3.03Å; D63-S66 PolarHBondContact O-N 2.96Å; D63-S66 VanDerWaalsContact O-N 3.1Å; D63-S69 PolarHBondContact N-OG 3.34Å; D63-S69 WeakPolarHBondContact O-CB 3.47Å
64V97.3Very high97.5Very high7 Ų731.9 Ų31.94%0.04218%0.183CC..THydrogen-bonded Turntrans-66.1-21.7179.8-1670000111.6L62 S66 A91 G145L62-V64 HydrophobicContact CD1-CG2 4.3Å; L62-V64 HydrophobicContact CD2-CG2 3.83Å; L62-V64 HydrophobicContact CG-CG2 3.77Å; V64-S66 PolarHBondContact O-N 2.96Å; V64-A91 HydrophobicContact CG2-CB 3.9Å; V64-G145 WeakPolarHBondContact O-CA 3.45Å
65G96.3Very high97.8Very high10 Ų1033.8 Ų33.810%0.10317%0.174CC..THydrogen-bonded Turntrans-77.3-3175.300000114.3D63 N131 T141D63-G65 PolarHBondContact O-N 3.06Å; D63-G65 PolarHBondContact OD1-N 3.03Å; G65-N131 PolarHBondContact O-ND2 3.36Å; G65-T141 WeakPolarHBondContact CA-OG1 3.43Å
66S96.9Very high98Very high24 Ų2436.3 Ų36.317%0.16818%0.183CC..  trans-119.8121.2-179.81730000111.4D63 V64 Q68 S69 V70 D133D63-S66 PolarHBondContact O-N 2.96Å; D63-S66 VanDerWaalsContact O-N 3.1Å; V64-S66 PolarHBondContact O-N 2.96Å; S66-Q68 VanDerWaalsContact C-N 3.34Å; S66-Q68 PolarHBondContact O-N 3.19Å; S66-S69 PolarHBondContact O-N 3.39Å; S66-S69 PolarHBondContact OG-N 3.19Å; S66-V70 WeakPolarHBondContact O-CG2 3.39Å; S66-V70 PolarHBondContact O-N 3.35Å; S66-D133 WeakPolarHBondContact CA-OD2 3.43Å
67V96.3Very high98Very high6 Ų629.8 Ų29.84%0.03616%0.159CC..Hα-helixtrans-56.6-48.8178173.40000110.7S69 V70 L71 D133 F144 L148 V323 L327V67-S69 VanDerWaalsContact C-N 3.34Å; V67-S69 PolarHBondContact O-N 2.68Å; V67-V70 PolarHBondContact O-N 3.44Å; V67-L71 HydrophobicContact CG1-CD1 4.28Å; V67-L71 WeakPolarHBondContact O-CG 3.35Å; V67-L71 PolarHBondContact O-N 3.19Å; V67-D133 HydrophobicContact CG2-CB 4.12Å; V67-D133 WeakPolarHBondContact CG2-OD2 3.48Å; V67-D133 PolarHBondContact N-OD2 3.44Å; V67-F144 HydrophobicContact CG2-CE1 4.37Å; V67-L148 HydrophobicContact CB-CD1 4.46Å; V67-L148 HydrophobicContact CG1-CD1 4.09Å; V67-L148 HydrophobicContact CG2-CD1 4Å; V67-V323 HydrophobicContact CB-CG1 4.22Å; V67-V323 HydrophobicContact CG1-CG1 3.69Å; V67-V323 HydrophobicContact CG2-CG1 3.6Å; V67-L327 HydrophobicContact CG1-CD2 4.31Å
68Q95.9Very high98Very high87 Ų8732.1 Ų32.141%0.40717%0.168SC..Hα-helixtrans-61.5-42.8179.8-175.959.250.300111.8S66 V70 L71 S72S66-Q68 VanDerWaalsContact C-N 3.34Å; S66-Q68 PolarHBondContact O-N 3.19Å; Q68-V70 VanDerWaalsContact C-N 3.31Å; Q68-V70 PolarHBondContact O-N 2.97Å; Q68-L71 PolarHBondContact O-N 2.96Å; Q68-S72 PolarHBondContact NE2-OG 2.93Å; Q68-S72 PolarHBondContact O-N 2.98Å; Q68-S72 PolarHBondContact O-OG 3.21Å
69S98.1Very high98Very high15 Ų1534.1 Ų34.111%0.10519%0.191CC..Hα-helixtrans-64.1-36.9177.4-174.50000112.1D63 S66 V67 A73D63-S69 PolarHBondContact N-OG 3.34Å; D63-S69 WeakPolarHBondContact O-CB 3.47Å; S66-S69 PolarHBondContact O-N 3.39Å; S66-S69 PolarHBondContact OG-N 3.19Å; V67-S69 VanDerWaalsContact C-N 3.34Å; V67-S69 PolarHBondContact O-N 2.68Å; S69-A73 WeakPolarHBondContact O-CB 3.44Å; S69-A73 PolarHBondContact O-N 3.05Å
70V98.6Very high98Very high0 Ų038.8 Ų38.80%021%0.207CC..Hα-helixtrans-64.1-46.8176.5169.30000110.9L62 S66 V67 Q68 A73 A74 L148 L149L62-V70 HydrophobicContact CD1-CB 4.47Å; L62-V70 HydrophobicContact CD1-CG2 3.94Å; S66-V70 WeakPolarHBondContact O-CG2 3.39Å; S66-V70 PolarHBondContact O-N 3.35Å; V67-V70 PolarHBondContact O-N 3.44Å; Q68-V70 VanDerWaalsContact C-N 3.31Å; Q68-V70 PolarHBondContact O-N 2.97Å; V70-A73 PolarHBondContact O-N 3.42Å; V70-A74 WeakPolarHBondContact O-CB 3.43Å; V70-A74 PolarHBondContact O-N 2.87Å; V70-L148 HydrophobicContact CG1-CB 3.92Å; V70-L149 HydrophobicContact CG1-CB 3.87Å; V70-L149 HydrophobicContact CG1-CD1 4.32Å
71L98.1Very high97.9Very high28 Ų2839.1 Ų39.115%0.14721%0.208CC..Hα-helixtrans-61.8-48.6179-64.3179.4000111.4V67 Q68 A73 A74 E75 E152 L327V67-L71 HydrophobicContact CG1-CD1 4.28Å; V67-L71 WeakPolarHBondContact O-CG 3.35Å; V67-L71 PolarHBondContact O-N 3.19Å; Q68-L71 PolarHBondContact O-N 2.96Å; L71-A73 VanDerWaalsContact C-N 3.34Å; L71-A73 PolarHBondContact O-N 3.37Å; L71-A74 PolarHBondContact O-N 3.22Å; L71-E75 PolarHBondContact O-N 3.43Å; L71-E152 HydrophobicContact CD2-CG 3.75Å; L71-E152 WeakPolarHBondContact CD2-OE1 3.32Å; L71-L327 HydrophobicContact CD1-CD2 3.48Å; L71-L327 VanDerWaalsContact CD1-CD2 3.48Å
72S98.3Very high97.7Very high62 Ų6240.1 Ų40.143%0.43421%0.213SC..Hα-helixtrans-61.3-41.4177.8-64.40000112.3Q68 A74 E75 E76Q68-S72 PolarHBondContact NE2-OG 2.93Å; Q68-S72 PolarHBondContact O-N 2.98Å; Q68-S72 PolarHBondContact O-OG 3.21Å; S72-A74 VanDerWaalsContact C-N 3.34Å; S72-A74 PolarHBondContact O-N 3.21Å; S72-E75 PolarHBondContact O-N 3.42Å; S72-E76 PolarHBondContact O-N 3.36Å; S72-E76 VanDerWaalsContact O-N 3.07Å
73A98.7Very high97.6Very high2 Ų240.7 Ų40.72%0.01722%0.215CC..Hα-helixtrans-65.8-36.8176.800000112.3L60 L62 S69 V70 L71 E76 L77L60-A73 HydrophobicContact CD1-CB 4.13Å; L60-A73 HydrophobicContact CD2-CB 4.18Å; L60-A73 HydrophobicContact CG-CB 4.26Å; L62-A73 HydrophobicContact CB-CB 4.24Å; L62-A73 HydrophobicContact CD1-CB 3.76Å; L62-A73 HydrophobicContact CG-CB 4.5Å; S69-A73 WeakPolarHBondContact O-CB 3.44Å; S69-A73 PolarHBondContact O-N 3.05Å; V70-A73 PolarHBondContact O-N 3.42Å; L71-A73 VanDerWaalsContact C-N 3.34Å; L71-A73 PolarHBondContact O-N 3.37Å; A73-E76 PolarHBondContact O-N 3.03Å; A73-L77 VanDerWaalsContact O-CG 3.32Å; A73-L77 WeakPolarHBondContact O-CG 3.45Å; A73-L77 PolarHBondContact O-N 3.2Å
74A98.8Very high97.6Very high0 Ų038.8 Ų38.80%021%0.205CC..Hα-helixtrans-68.3-39.5177.200000112.3V70 L71 S72 E76 L77 K78 L149 E152 L153V70-A74 WeakPolarHBondContact O-CB 3.43Å; V70-A74 PolarHBondContact O-N 2.87Å; L71-A74 PolarHBondContact O-N 3.22Å; S72-A74 VanDerWaalsContact C-N 3.34Å; S72-A74 PolarHBondContact O-N 3.21Å; A74-E76 VanDerWaalsContact C-N 3.35Å; A74-L77 PolarHBondContact O-N 2.98Å; A74-K78 WeakPolarHBondContact O-CG 3.45Å; A74-K78 PolarHBondContact O-N 3.42Å; A74-L149 HydrophobicContact CB-CD1 4.24Å; A74-E152 HydrophobicContact CB-CB 3.43Å; A74-E152 VanDerWaalsContact CB-CB 3.43Å; A74-E152 HydrophobicContact CB-CG 4.06Å; A74-L153 HydrophobicContact CB-CD2 4.15Å; A74-L153 HydrophobicContact CB-CG 4.48Å
75E98.6Very high97.7Very high106 Ų10639.4 Ų39.450%0.49521%0.208SC..Hα-helixtrans-60.7-44.1171.5-69.3-52.7142.400111.8L71 S72 L77 K78 A79L71-E75 PolarHBondContact O-N 3.43Å; S72-E75 PolarHBondContact O-N 3.42Å; E75-L77 VanDerWaalsContact C-N 3.33Å; E75-L77 PolarHBondContact O-N 3.25Å; E75-K78 VanDerWaalsContact CD-CE 3.45Å; E75-K78 PolarHBondContact O-N 2.97Å; E75-K78 VanDerWaalsContact OE1-CE 3.26Å; E75-K78 WeakPolarHBondContact OE1-CE 3.47Å; E75-K78 IonicContact OE1-NZ 3.12Å; E75-K78 PolarHBondContact OE1-NZ 2.65Å; E75-K78 WeakPolarHBondContact OE2-CE 3.32Å; E75-K78 IonicContact OE2-NZ 3.34Å; E75-A79 WeakPolarHBondContact O-CB 3.36Å; E75-A79 PolarHBondContact O-N 3.22Å
76E98.6Very high97.8Very high66 Ų6639.6 Ų39.631%0.30821%0.206SC..Hα-helixtrans-61.8-40.6176.7-175.3172.813700112L60 S72 A73 A74 A79 R80L60-E76 HydrophobicContact CD1-CB 3.95Å; L60-E76 HydrophobicContact CD1-CG 3.79Å; L60-E76 WeakPolarHBondContact CD1-OE1 3.38Å; S72-E76 PolarHBondContact O-N 3.36Å; S72-E76 VanDerWaalsContact O-N 3.07Å; A73-E76 PolarHBondContact O-N 3.03Å; A74-E76 VanDerWaalsContact C-N 3.35Å; E76-A79 PolarHBondContact O-N 3.15Å; E76-R80 VanDerWaalsContact CD-NH2 3.26Å; E76-R80 WeakPolarHBondContact O-CB 3.28Å; E76-R80 VanDerWaalsContact O-CG 3.22Å; E76-R80 WeakPolarHBondContact O-CG 3.4Å; E76-R80 PolarHBondContact O-N 2.75Å; E76-R80 IonicContact OE1-CZ 2.82Å; E76-R80 IonicContact OE1-NE 3.57Å; E76-R80 IonicContact OE1-NH1 3.03Å; E76-R80 PolarHBondContact OE1-NH1 3.39Å; E76-R80 IonicContact OE1-NH2 2.59Å; E76-R80 PolarHBondContact OE1-NH2 3.07Å
77L98.7Very high97.9Very high1 Ų138.4 Ų38.41%0.00520%0.198CC..Hα-helixtrans-63.9-45174.3-75172000112.2V6 L60 A73 A74 E75 A79 R80 Y81 L149 L153 L156V6-L77 HydrophobicContact CG2-CD2 4.04Å; L60-L77 HydrophobicContact CD2-CD1 3.71Å; L60-L77 HydrophobicContact CD2-CD2 3.69Å; L60-L77 HydrophobicContact CD2-CG 3.56Å; A73-L77 VanDerWaalsContact O-CG 3.32Å; A73-L77 WeakPolarHBondContact O-CG 3.45Å; A73-L77 PolarHBondContact O-N 3.2Å; A74-L77 PolarHBondContact O-N 2.98Å; E75-L77 VanDerWaalsContact C-N 3.33Å; E75-L77 PolarHBondContact O-N 3.25Å; L77-A79 VanDerWaalsContact C-N 3.26Å; L77-A79 PolarHBondContact O-N 3.48Å; L77-R80 PolarHBondContact O-N 2.96Å; L77-Y81 HydrophobicContact CD2-CD2 3.59Å; L77-Y81 HydrophobicContact CD2-CE2 3.4Å; L77-Y81 PolarHBondContact O-N 3.47Å; L77-L149 HydrophobicContact CD1-CD1 4.43Å; L77-L153 HydrophobicContact CB-CD2 3.8Å; L77-L153 HydrophobicContact CD1-CD1 3.69Å; L77-L153 HydrophobicContact CD1-CD2 3.89Å; L77-L153 HydrophobicContact CD1-CG 4.39Å; L77-L156 HydrophobicContact CB-CD1 4.4Å
78K98.5Very high98Very high62 Ų6238.1 Ų38.127%0.2720%0.196SC..Hα-helixtrans-62.3-33.7176.7-73.3-178.6-61.8-167.70112.3A74 E75 E152 L153 L156A74-K78 WeakPolarHBondContact O-CG 3.45Å; A74-K78 PolarHBondContact O-N 3.42Å; E75-K78 VanDerWaalsContact CD-CE 3.45Å; E75-K78 PolarHBondContact O-N 2.97Å; E75-K78 VanDerWaalsContact OE1-CE 3.26Å; E75-K78 WeakPolarHBondContact OE1-CE 3.47Å; E75-K78 IonicContact OE1-NZ 3.12Å; E75-K78 PolarHBondContact OE1-NZ 2.65Å; E75-K78 WeakPolarHBondContact OE2-CE 3.32Å; E75-K78 IonicContact OE2-NZ 3.34Å; K78-E152 IonicContact NZ-OE2 2.74Å; K78-E152 PolarHBondContact NZ-OE2 3.39Å; K78-L153 HydrophobicContact CG-CD2 4.46Å; K78-L156 HydrophobicContact CG-CD1 4.11Å; K78-L156 HydrophobicContact CG-CD2 4.42Å; K78-L156 HydrophobicContact CG-CG 4.09Å
79A98.3Very high98.1Very high88 Ų8834.1 Ų34.173%0.72718%0.178SC*.Hα-helixtrans-74.4-34.5175.300000113E75 E76 L77E75-A79 WeakPolarHBondContact O-CB 3.36Å; E75-A79 PolarHBondContact O-N 3.22Å; E76-A79 PolarHBondContact O-N 3.15Å; L77-A79 VanDerWaalsContact C-N 3.26Å; L77-A79 PolarHBondContact O-N 3.48Å
80R97.5Very high98.1Very high117 Ų11734.4 Ų34.444%0.44218%0.178SC..Hα-helixtrans-86.3-34-174.8-74.3177.8-179.8-175.35.9114.2L59 E76 L77L59-R80 PolarHBondContact O-NH1 3.35Å; E76-R80 VanDerWaalsContact CD-NH2 3.26Å; E76-R80 WeakPolarHBondContact O-CB 3.28Å; E76-R80 VanDerWaalsContact O-CG 3.22Å; E76-R80 WeakPolarHBondContact O-CG 3.4Å; E76-R80 PolarHBondContact O-N 2.75Å; E76-R80 IonicContact OE1-CZ 2.82Å; E76-R80 IonicContact OE1-NE 3.57Å; E76-R80 IonicContact OE1-NH1 3.03Å; E76-R80 PolarHBondContact OE1-NH1 3.39Å; E76-R80 IonicContact OE1-NH2 2.59Å; E76-R80 PolarHBondContact OE1-NH2 3.07Å; L77-R80 PolarHBondContact O-N 2.96Å
81Y97.2Very high98Very high8 Ų835.1 Ų35.13%0.03118%0.184CC..  trans-125.4138.5-169.6-54.9-50.8000111.1I4 C32 D58 L77 R83 L156I4-Y81 HydrophobicContact CD1-CD1 3.95Å; I4-Y81 HydrophobicContact CD1-CG 4.18Å; I4-Y81 HydrophobicContact CG2-CD1 4.05Å; I4-Y81 HydrophobicContact CG2-CD2 4.01Å; I4-Y81 HydrophobicContact CG2-CE1 4.33Å; I4-Y81 HydrophobicContact CG2-CE2 4.25Å; I4-Y81 HydrophobicContact CG2-CG 3.9Å; C32-Y81 HydrophobicContact CB-CE2 4.27Å; D58-Y81 VanDerWaalsContact CB-OH 3.32Å; D58-Y81 WeakPolarHBondContact CB-OH 3.36Å; D58-Y81 PolarHBondContact OD2-OH 3.02Å; L77-Y81 HydrophobicContact CD2-CD2 3.59Å; L77-Y81 HydrophobicContact CD2-CE2 3.4Å; L77-Y81 PolarHBondContact O-N 3.47Å; Y81-R83 VanDerWaalsContact C-N 3.32Å; Y81-R83 WeakPolarHBondContact CB-O 3.4Å; Y81-L156 WeakPolarHBondContact O-CD2 3.13Å
82H95.1Very high97.7Very high111 Ų11135.1 Ų35.151%0.51419%0.19SC..SBendtrans-79.7-17.6173.363.9-81.2000112.1Q159H82-Q159 PolarHBondContact O-NE2 2.81Å
83R96.3Very high97.3Very high15 Ų1533.7 Ų33.76%0.05718%0.178CC..  trans-159.5168.2178.973.8-177.9-159.6-172.22.6110.9M1 E2 I4 Y81 D85 L156M1-R83 PolarHBondContact SD-NH1 3.38Å; E2-R83 PolarHBondContact O-NH2 3.26Å; I4-R83 HydrophobicContact CD1-CG 4.18Å; I4-R83 VanDerWaalsContact CD1-O 3.24Å; I4-R83 WeakPolarHBondContact CD1-O 3.43Å; Y81-R83 VanDerWaalsContact C-N 3.32Å; Y81-R83 WeakPolarHBondContact CB-O 3.4Å; R83-D85 IonicContact CZ-OD1 3.45Å; R83-D85 IonicContact CZ-OD2 3.95Å; R83-D85 IonicContact NE-OD1 2.66Å; R83-D85 PolarHBondContact NE-OD1 3.5Å; R83-D85 IonicContact NE-OD2 3.57Å; R83-D85 PolarHBondContact NE-OD2 3.17Å; R83-D85 IonicContact NH1-OD1 3.62Å; R83-D85 IonicContact NH2-OD1 2.81Å; R83-D85 PolarHBondContact NH2-OD1 2.8Å; R83-D85 IonicContact NH2-OD2 3.56Å; R83-D85 PolarHBondContact NH2-OD2 3.42Å; R83-L156 WeakPolarHBondContact CA-O 3.49Å
84V98.3Very high96.6Very high0 Ų034.8 Ų34.80%018%0.183CC..  trans-131.9116.1168.6173.90000109.2I4 V6 F86 L87 L156 L157 S164I4-V84 HydrophobicContact CG2-CG2 4.39Å; V6-V84 HydrophobicContact CG2-CG1 4Å; V6-V84 HydrophobicContact CG2-CG2 4.2Å; V84-F86 WeakPolarHBondContact CG1-O 3.4Å; V84-L87 HydrophobicContact CG1-CB 4.31Å; V84-L156 HydrophobicContact CB-CB 4.49Å; V84-L156 HydrophobicContact CG2-CB 4.16Å; V84-L156 HydrophobicContact CG2-CD1 3.94Å; V84-L156 PolarHBondContact N-O 2.81Å; V84-L156 VanDerWaalsContact N-O 3.1Å; V84-L157 HydrophobicContact CB-CD2 3.93Å; V84-L157 HydrophobicContact CG1-CD2 3.97Å; V84-S164 WeakPolarHBondContact O-CB 3.43Å; V84-S164 PolarHBondContact O-OG 3.46Å; V84-S164 VanDerWaalsContact O-OG 3.08Å
85D98.3Very high95.3Very high19 Ų1936 Ų3610%0.10219%0.19CC..SBendtrans-79.2-37.7-178.4-60.8-99.9000111.6K3 I4 R83 S164 R165K3-D85 WeakPolarHBondContact CA-OD2 3.5Å; K3-D85 HydrophobicContact CB-CB 4.45Å; I4-D85 PolarHBondContact N-OD2 3.04Å; I4-D85 PolarHBondContact O-N 3.47Å; R83-D85 IonicContact CZ-OD1 3.45Å; R83-D85 IonicContact CZ-OD2 3.95Å; R83-D85 IonicContact NE-OD1 2.66Å; R83-D85 PolarHBondContact NE-OD1 3.5Å; R83-D85 IonicContact NE-OD2 3.57Å; R83-D85 PolarHBondContact NE-OD2 3.17Å; R83-D85 IonicContact NH1-OD1 3.62Å; R83-D85 IonicContact NH2-OD1 2.81Å; R83-D85 PolarHBondContact NH2-OD1 2.8Å; R83-D85 IonicContact NH2-OD2 3.56Å; R83-D85 PolarHBondContact NH2-OD2 3.42Å; D85-S164 CarbonylContact O-C 3.57Å; D85-S164 WeakPolarHBondContact O-CA 3.49Å; D85-R165 PolarHBondContact O-N 3.12Å
86F98.8Very high93.4Very high14 Ų1437.4 Ų37.46%0.06120%0.201CC..EExtended strand (participates in β ladder)trans-135.7130.4178.8-70.1-99.8000111.3K3 I4 V5 V6 V84 Y88 R165 F272K3-F86 HydrophobicContact CD-CE2 4.38Å; I4-F86 PolarHBondContact O-N 2.87Å; I4-F86 VanDerWaalsContact O-N 3.14Å; V5-F86 WeakPolarHBondContact CA-O 3.45Å; V5-F86 HydrophobicContact CB-CB 4.32Å; V5-F86 HydrophobicContact CG1-CB 3.89Å; V5-F86 HydrophobicContact CG2-CB 4.1Å; V5-F86 HydrophobicContact CG2-CD2 4.19Å; V5-F86 HydrophobicContact CG2-CG 4.45Å; V6-F86 PolarHBondContact N-O 3.42Å; V84-F86 WeakPolarHBondContact CG1-O 3.4Å; F86-Y88 HydrophobicContact CB-CD2 4.18Å; F86-Y88 HydrophobicContact CB-CE2 3.82Å; F86-Y88 AromaticContact CD1-CE2 4Å; F86-Y88 HydrophobicContact CD1-CE2 4Å; F86-Y88 HydrophobicContact CG-CE2 4.23Å; F86-R165 CarbonylContact C-O 3.19Å; F86-R165 WeakPolarHBondContact CA-O 3.46Å; F86-R165 HydrophobicContact CD1-CB 3.83Å; F86-R165 HydrophobicContact CE1-CB 3.98Å; F86-R165 HydrophobicContact CE1-CG 4.29Å; F86-R165 HydrophobicContact CG-CB 4.46Å; F86-F272 HydrophobicContact CD1-CD2 4.19Å; F86-F272 HydrophobicContact CD2-CD2 4.16Å; F86-F272 HydrophobicContact CD2-CE2 4.12Å; F86-F272 HydrophobicContact CE1-CB 4.47Å; F86-F272 AromaticContact CE1-CD2 3.76Å; F86-F272 HydrophobicContact CE1-CD2 3.76Å; F86-F272 HydrophobicContact CE1-CG 4.5Å; F86-F272 AromaticContact CE2-CD2 3.75Å; F86-F272 HydrophobicContact CE2-CD2 3.75Å; F86-F272 AromaticContact CE2-CE2 3.74Å; F86-F272 HydrophobicContact CE2-CE2 3.74Å; F86-F272 HydrophobicContact CG-CD2 4.38Å; F86-F272 AromaticContact CZ-CD2 3.51Å; F86-F272 HydrophobicContact CZ-CD2 3.51Å; F86-F272 AromaticContact CZ-CE2 3.97Å; F86-F272 HydrophobicContact CZ-CE2 3.97Å; F86-F272 HydrophobicContact CZ-CG 4.35Å
87L98.9Very high91.6Very high0 Ų035.2 Ų35.20%019%0.193CC..EExtended strand (participates in β ladder)trans-121.1106.6170.4178.760.6000109.5V6 V84 L89 L149 I150 L153 L157 R165 L166 V167V6-L87 HydrophobicContact CB-CD1 3.78Å; V6-L87 HydrophobicContact CG1-CD1 3.78Å; V6-L87 WeakPolarHBondContact O-CA 3.44Å; V84-L87 HydrophobicContact CG1-CB 4.31Å; L87-L89 HydrophobicContact CD1-CD2 4.3Å; L87-L89 HydrophobicContact CD2-CD2 3.85Å; L87-L89 HydrophobicContact CG-CD2 3.71Å; L87-L89 HydrophobicContact CG-CG 4.33Å; L87-L149 HydrophobicContact CD1-CD2 4.29Å; L87-I150 HydrophobicContact CD2-CG1 4.19Å; L87-L153 HydrophobicContact CD2-CD1 4.09Å; L87-L157 HydrophobicContact CB-CD2 4.43Å; L87-L157 HydrophobicContact CD2-CD1 4.29Å; L87-R165 PolarHBondContact N-O 3.22Å; L87-L166 HydrophobicContact CB-CD2 3.81Å; L87-L166 HydrophobicContact CD2-CD2 3.89Å; L87-L166 HydrophobicContact CG-CD2 4.23Å; L87-L166 WeakPolarHBondContact O-CA 3.02Å; L87-V167 PolarHBondContact O-N 2.95Å
88Y98.9Very high89.6Confident0 Ų038.8 Ų38.80%022%0.215CC..EExtended strand (participates in β ladder)trans-89.9112.9177-74-91.4000110.7V5 V6 V7 T8 L18 L22 F86 N90 V167 L268V5-Y88 HydrophobicContact CG1-CD2 3.77Å; V5-Y88 HydrophobicContact CG1-CE2 3.79Å; V6-Y88 PolarHBondContact O-N 3.15Å; V7-Y88 HydrophobicContact CG2-CD2 4.04Å; V7-Y88 HydrophobicContact CG2-CG 4.34Å; T8-Y88 PolarHBondContact N-O 3.04Å; T8-Y88 PolarHBondContact OG1-O 2.97Å; L18-Y88 HydrophobicContact CD1-CE1 4.25Å; L18-Y88 HydrophobicContact CD2-CD1 3.32Å; L18-Y88 HydrophobicContact CD2-CD2 4.06Å; L18-Y88 HydrophobicContact CD2-CE1 3.55Å; L18-Y88 HydrophobicContact CD2-CE2 4.25Å; L18-Y88 HydrophobicContact CD2-CG 3.59Å; L22-Y88 HydrophobicContact CD1-CE2 4.03Å; F86-Y88 HydrophobicContact CB-CD2 4.18Å; F86-Y88 HydrophobicContact CB-CE2 3.82Å; F86-Y88 AromaticContact CD1-CE2 4Å; F86-Y88 HydrophobicContact CD1-CE2 4Å; F86-Y88 HydrophobicContact CG-CE2 4.23Å; Y88-N90 VanDerWaalsContact C-N 3.32Å; Y88-N90 PolarHBondContact O-N 2.95Å; Y88-V167 HydrophobicContact CD1-CB 3.55Å; Y88-V167 HydrophobicContact CD1-CG1 3.85Å; Y88-V167 HydrophobicContact CD1-CG2 4.15Å; Y88-V167 HydrophobicContact CE1-CB 3.64Å; Y88-V167 HydrophobicContact CE1-CG1 3.74Å; Y88-V167 HydrophobicContact CE1-CG2 3.81Å; Y88-V167 HydrophobicContact CG-CB 4.3Å; Y88-L268 HydrophobicContact CD1-CB 4.5Å; Y88-L268 HydrophobicContact CD1-CD2 4.04Å; Y88-L268 HydrophobicContact CE1-CB 4.02Å; Y88-L268 HydrophobicContact CE1-CD2 4.16Å; Y88-L268 PolarHBondContact OH-O 2.83Å
89L98.8Very high87.9Confident3 Ų337.4 Ų37.42%0.01621%0.212CC..EExtended strand (participates in β ladder)trans-93.770.5-177.7-51.8164.5000107.5L87 H146 I150 L166 V167 W168 T169L87-L89 HydrophobicContact CD1-CD2 4.3Å; L87-L89 HydrophobicContact CD2-CD2 3.85Å; L87-L89 HydrophobicContact CG-CD2 3.71Å; L87-L89 HydrophobicContact CG-CG 4.33Å; L89-H146 HydrophobicContact CD2-CB 3.97Å; L89-H146 VanDerWaalsContact CD2-CD2 3.43Å; L89-H146 WeakPolarHBondContact CD2-CD2 3.37Å; L89-I150 HydrophobicContact CD1-CD1 3.73Å; L89-I150 HydrophobicContact CD1-CG1 4.3Å; L89-I150 HydrophobicContact CD2-CD1 4.5Å; L89-I150 HydrophobicContact CD2-CG1 4.4Å; L89-L166 HydrophobicContact CD1-CB 4.32Å; L89-V167 PolarHBondContact N-O 2.85Å; L89-W168 HydrophobicContact CB-CD2 4.1Å; L89-W168 HydrophobicContact CB-CE3 3.85Å; L89-W168 HydrophobicContact CB-CZ3 4.23Å; L89-W168 HydrophobicContact CD1-CD2 3.44Å; L89-W168 VanDerWaalsContact CD1-CD2 3.44Å; L89-W168 HydrophobicContact CD1-CE3 3.79Å; L89-W168 HydrophobicContact CD1-CG 4.02Å; L89-W168 HydrophobicContact CD1-CH2 3.76Å; L89-W168 HydrophobicContact CD1-CZ2 3.41Å; L89-W168 VanDerWaalsContact CD1-CZ2 3.41Å; L89-W168 HydrophobicContact CD1-CZ3 3.94Å; L89-W168 HydrophobicContact CG-CD2 4.42Å; L89-W168 HydrophobicContact CG-CE3 4.47Å; L89-T169 PolarHBondContact O-N 3.36Å
90N97.8Very high86.3Confident20 Ų2037.1 Ų37.111%0.10720%0.198CC..  trans-102.2-27.3-172161.988.5000113.5T8 G9 G15 Y88 G92 T169T8-N90 WeakPolarHBondContact O-CB 3.37Å; T8-N90 PolarHBondContact O-ND2 2.74Å; T8-N90 PolarHBondContact OG1-N 3.14Å; G9-N90 PolarHBondContact O-ND2 3.31Å; G15-N90 WeakPolarHBondContact CA-ND2 3.45Å; Y88-N90 VanDerWaalsContact C-N 3.32Å; Y88-N90 PolarHBondContact O-N 2.95Å; N90-G92 PolarHBondContact O-N 3.23Å; N90-T169 WeakPolarHBondContact CA-OG1 3.33Å
91A94.9Very high84.6Confident15 Ų1536.9 Ų36.912%0.12420%0.204CC..  trans-55.1141.4177.600000110.9T8 V64 H146T8-A91 PolarHBondContact O-N 2.99Å; T8-A91 VanDerWaalsContact O-N 3.13Å; T8-A91 PolarHBondContact OG1-N 3.08Å; T8-A91 VanDerWaalsContact OG1-N 3.07Å; V64-A91 HydrophobicContact CG2-CB 3.9Å; A91-H146 PolarHBondContact O-CE1 2.84Å
92G92.4Very high83.1Confident28 Ų2846.9 Ų46.929%0.28924%0.242SC..  trans-178.2160.3175.500000112.6N90 N142N90-G92 PolarHBondContact O-N 3.23Å; G92-N142 WeakPolarHBondContact CA-OD1 3.37Å
93I90.4Very high81.6Confident32 Ų3243 Ų4316%0.16423%0.229CC..  trans-127.5155.6-179.663.4172000110.7E137 V138 T141 N142 Y193I93-E137 HydrophobicContact CD1-CB 4.31Å; I93-E137 HydrophobicContact CD1-CG 3.66Å; I93-V138 HydrophobicContact CD1-CG2 4.38Å; I93-V138 HydrophobicContact CG1-CG2 4.4Å; I93-T141 HydrophobicContact CD1-CG2 4.43Å; I93-T141 HydrophobicContact CG1-CG2 4.15Å; I93-T141 HydrophobicContact CG2-CG2 3.97Å; I93-N142 PolarHBondContact N-OD1 3.23Å; I93-N142 PolarHBondContact O-ND2 2.86Å; I93-N142 PolarHBondContact O-OD1 3.49Å; I93-Y193 WeakPolarHBondContact O-CD2 3.1Å
94M84.1Confident80.2Confident25 Ų2543.2 Ų43.212%0.12323%0.231CC..  trans-14097.1169.6-173.217777.700107P97 L124 Q126 Y193 L230 I234M94-P97 HydrophobicContact CE-CB 4.08Å; M94-P97 HydrophobicContact CE-CG 3.9Å; M94-L124 HydrophobicContact CE-CD1 4.48Å; M94-Q126 VanDerWaalsContact CG-NE2 3.26Å; M94-Q126 PolarHBondContact SD-NE2 3.1Å; M94-Y193 HydrophobicContact CB-CD2 3.81Å; M94-Y193 HydrophobicContact CB-CE2 4.2Å; M94-Y193 HydrophobicContact CB-CG 4.27Å; M94-Y193 HydrophobicContact CG-CD1 4.48Å; M94-Y193 HydrophobicContact CG-CD2 3.97Å; M94-Y193 HydrophobicContact CG-CG 3.9Å; M94-Y193 HydrophobicContact SD-CD1 4.04Å; M94-Y193 HydrophobicContact SD-CD2 4.38Å; M94-Y193 HydrophobicContact SD-CE1 4.33Å; M94-Y193 HydrophobicContact SD-CG 4.06Å; M94-L230 HydrophobicContact CB-CD2 4.17Å; M94-I234 HydrophobicContact CE-CD1 4.21Å
95P71.6Confident78.6Confident25 Ų2548.2 Ų48.216%0.16225%0.252CS..  trans-69.9137.2-174.125-32.1000111.3P97 Q127 V138P95-P97 VanDerWaalsContact O-N 3.13Å; P95-Q127 WeakPolarHBondContact CG-O 3.4Å; P95-V138 HydrophobicContact CG-CG2 3.39Å
96N58.9Low77.2Confident136 Ų13655.4 Ų55.473%0.72728%0.283SS*.  trans2075.2169.9-70.8-10.8000114.9T98N96-T98 PolarHBondContact O-N 3.37Å
97P60.5Low75.6Confident21 Ų2155.2 Ų55.214%0.13629%0.285CS..  trans-63.7104.5173.927.1-34.3000109M94 P95 V99 L124 I234M94-P97 HydrophobicContact CE-CB 4.08Å; M94-P97 HydrophobicContact CE-CG 3.9Å; P95-P97 VanDerWaalsContact O-N 3.13Å; P97-V99 PolarHBondContact O-N 2.68Å; P97-L124 HydrophobicContact CB-CB 4.45Å; P97-L124 HydrophobicContact CB-CD1 4.11Å; P97-L124 HydrophobicContact CB-CD2 3.89Å; P97-L124 HydrophobicContact CB-CG 4.37Å; P97-I234 HydrophobicContact CB-CG1 4.25Å; P97-I234 HydrophobicContact CG-CG1 3.68Å
98T56.6Low73.9Confident76 Ų7657.9 Ų57.947%0.46630%0.299SS..EExtended strand (participates in β ladder)trans-81.1116.817055.80000107.7N96 T125N96-T98 PolarHBondContact O-N 3.37Å; T98-T125 PolarHBondContact N-O 3.04Å; T98-T125 PolarHBondContact O-N 3.18Å; T98-T125 PolarHBondContact OG1-O 3.37Å; T98-T125 VanDerWaalsContact OG1-O 3.06Å; T98-T125 PolarHBondContact OG1-OG1 3.1Å
99V62.1Low72.5Confident32 Ų3266.5 Ų66.519%0.19434%0.337CS..EExtended strand (participates in β ladder)trans-76.1123175.9-178.40000108.8P97 I101 F104 L123 L124 I234P97-V99 PolarHBondContact O-N 2.68Å; V99-I101 VanDerWaalsContact C-N 3.34Å; V99-I101 PolarHBondContact O-N 2.77Å; V99-F104 HydrophobicContact CG1-CB 3.99Å; V99-F104 HydrophobicContact CG1-CG 4.39Å; V99-L123 WeakPolarHBondContact CA-O 3.44Å; V99-L124 HydrophobicContact CG2-CD2 3.83Å; V99-I234 HydrophobicContact CG2-CG2 3.44Å; V99-I234 VanDerWaalsContact CG2-CG2 3.44Å; V99-I234 WeakPolarHBondContact CG2-O 3.49Å
100D65.4Low71Confident83 Ų8368.5 Ų68.544%0.44435%0.351SS..  trans-69.997.1162.8-175-27.1000108.4R102 A103 F104 L123D100-R102 PolarHBondContact O-N 3.41Å; D100-R102 WeakPolarHBondContact OD1-CB 3.33Å; D100-R102 PolarHBondContact OD1-N 3.48Å; D100-A103 HydrophobicContact CB-CB 3.8Å; D100-A103 PolarHBondContact O-N 3.39Å; D100-A103 VanDerWaalsContact O-N 3.16Å; D100-A103 PolarHBondContact OD1-N 3.13Å; D100-F104 WeakPolarHBondContact O-CB 3.36Å; D100-F104 PolarHBondContact O-N 2.91Å; D100-L123 PolarHBondContact N-O 3.24Å
101I62.6Low69.4Low111 Ų11179.4 Ų79.457%0.56939%0.39SS*.Hα-helixtrans-58.6-35.1-177.4-62.2173.2000110.9V99 F104 F105V99-I101 VanDerWaalsContact C-N 3.34Å; V99-I101 PolarHBondContact O-N 2.77Å; I101-F104 PolarHBondContact O-N 3.3Å; I101-F105 HydrophobicContact CG2-CD2 3.61Å; I101-F105 HydrophobicContact CG2-CE2 3.53Å; I101-F105 WeakPolarHBondContact O-CD2 3.34Å; I101-F105 PolarHBondContact O-N 3.03Å
102R63.9Low67.9Low218 Ų21883.8 Ų83.882%0.82341%0.412SS*.Hα-helixtrans-70-43.6178.3-69.6-177-179.2176.81.3110.9D100 F104 K106D100-R102 PolarHBondContact O-N 3.41Å; D100-R102 WeakPolarHBondContact OD1-CB 3.33Å; D100-R102 PolarHBondContact OD1-N 3.48Å; R102-F104 VanDerWaalsContact C-N 3.3Å; R102-K106 VanDerWaalsContact O-CB 3.31Å; R102-K106 WeakPolarHBondContact O-CB 3.33Å; R102-K106 PolarHBondContact O-N 3.46Å
103A65.1Low66.5Low30 Ų3084 Ų8425%0.24841%0.408CS..Hα-helixtrans-63.8-37.8174.900000111.6D100 K106 G107 L123D100-A103 HydrophobicContact CB-CB 3.8Å; D100-A103 PolarHBondContact O-N 3.39Å; D100-A103 VanDerWaalsContact O-N 3.16Å; D100-A103 PolarHBondContact OD1-N 3.13Å; A103-K106 PolarHBondContact O-N 3.43Å; A103-G107 PolarHBondContact O-N 3.5Å; A103-L123 HydrophobicContact CB-CD2 3.6Å
104F65.4Low65.1Low20 Ų2085.6 Ų85.69%0.08842%0.416CS..Hα-helixtrans-63.1-50.8176.9177.6-99.8000112V99 D100 I101 R102 K106 G107 L108 M116 F117 L123V99-F104 HydrophobicContact CG1-CB 3.99Å; V99-F104 HydrophobicContact CG1-CG 4.39Å; D100-F104 WeakPolarHBondContact O-CB 3.36Å; D100-F104 PolarHBondContact O-N 2.91Å; I101-F104 PolarHBondContact O-N 3.3Å; R102-F104 VanDerWaalsContact C-N 3.3Å; F104-K106 PolarHBondContact O-N 3.02Å; F104-G107 PolarHBondContact O-N 3.41Å; F104-L108 HydrophobicContact CD1-CD1 3.82Å; F104-L108 HydrophobicContact CE1-CD1 3.39Å; F104-L108 HydrophobicContact CE1-CG 4.19Å; F104-L108 HydrophobicContact CZ-CD1 3.9Å; F104-L108 HydrophobicContact CZ-CG 4.3Å; F104-L108 PolarHBondContact O-N 3.29Å; F104-M116 HydrophobicContact CD2-CE 4.2Å; F104-M116 HydrophobicContact CE2-CE 4.14Å; F104-F117 HydrophobicContact CE2-CE1 4.08Å; F104-F117 HydrophobicContact CE2-CZ 4.37Å; F104-F117 HydrophobicContact CZ-CE1 4.37Å; F104-F117 HydrophobicContact CZ-CZ 4.43Å; F104-L123 HydrophobicContact CB-CD2 4.15Å; F104-L123 HydrophobicContact CD2-CD1 3.94Å; F104-L123 VanDerWaalsContact N-CD2 3.31Å
105F66.2Low64Low104 Ų10489 Ų8946%0.45643%0.434SS..Hα-helixtrans-64.4-39.5176.4-81.6-70.4000112.1I101 G107 L108 F109I101-F105 HydrophobicContact CG2-CD2 3.61Å; I101-F105 HydrophobicContact CG2-CE2 3.53Å; I101-F105 WeakPolarHBondContact O-CD2 3.34Å; I101-F105 PolarHBondContact O-N 3.03Å; F105-G107 VanDerWaalsContact C-N 3.31Å; F105-G107 PolarHBondContact O-N 3.22Å; F105-L108 HydrophobicContact CD1-CD1 3.96Å; F105-L108 HydrophobicContact CE1-CD1 4.31Å; F105-L108 WeakPolarHBondContact O-CB 3.5Å; F105-L108 PolarHBondContact O-N 2.89Å; F105-F109 WeakPolarHBondContact O-CD2 3.19Å
106K67.6Low63.7Low170 Ų17088.6 Ų88.674%0.73943%0.43SS*.Hα-helixtrans-62.6-40.3174.9-171.8178.8-179.2-177.90111.8R102 A103 F104 F109 S110R102-K106 VanDerWaalsContact O-CB 3.31Å; R102-K106 WeakPolarHBondContact O-CB 3.33Å; R102-K106 PolarHBondContact O-N 3.46Å; A103-K106 PolarHBondContact O-N 3.43Å; F104-K106 PolarHBondContact O-N 3.02Å; K106-F109 PolarHBondContact O-N 3.11Å; K106-S110 PolarHBondContact O-N 2.94Å
107G65.5Low63.9Low10 Ų1083.5 Ų83.510%0.10340%0.402CS..Hα-helixtrans-71.3-33179.500000113.5A103 F104 F105 F109 S110 M116A103-G107 PolarHBondContact O-N 3.5Å; F104-G107 PolarHBondContact O-N 3.41Å; F105-G107 VanDerWaalsContact C-N 3.31Å; F105-G107 PolarHBondContact O-N 3.22Å; G107-F109 PolarHBondContact O-N 2.92Å; G107-S110 WeakPolarHBondContact O-CB 3.41Å; G107-S110 PolarHBondContact O-N 3.22Å; G107-S110 PolarHBondContact O-OG 2.83Å; G107-M116 WeakPolarHBondContact CA-SD 3.42Å
108L62.8Low63.8Low56 Ų5683.1 Ų83.129%0.29340%0.4SS..Hα-helixtrans-56.1-35.5172.4-89.9168.8000113.1F104 F105 V113 M116 F117F104-L108 HydrophobicContact CD1-CD1 3.82Å; F104-L108 HydrophobicContact CE1-CD1 3.39Å; F104-L108 HydrophobicContact CE1-CG 4.19Å; F104-L108 HydrophobicContact CZ-CD1 3.9Å; F104-L108 HydrophobicContact CZ-CG 4.3Å; F104-L108 PolarHBondContact O-N 3.29Å; F105-L108 HydrophobicContact CD1-CD1 3.96Å; F105-L108 HydrophobicContact CE1-CD1 4.31Å; F105-L108 WeakPolarHBondContact O-CB 3.5Å; F105-L108 PolarHBondContact O-N 2.89Å; L108-V113 HydrophobicContact CD2-CG2 4.47Å; L108-M116 HydrophobicContact CD2-CE 4.44Å; L108-M116 HydrophobicContact CG-CE 4.21Å; L108-F117 HydrophobicContact CD2-CE2 3.78Å; L108-F117 HydrophobicContact CD2-CZ 3.63Å
109F70.3Confident63.9Low182 Ų18280.9 Ų80.980%0.79839%0.387SS*.THydrogen-bonded Turntrans-97.18.4177.5-59.9-72.2000113.3F105 K106 G107F105-F109 WeakPolarHBondContact O-CD2 3.19Å; K106-F109 PolarHBondContact O-N 3.11Å; G107-F109 PolarHBondContact O-N 2.92Å
110S67.1Low63.8Low44 Ų4480.5 Ų80.531%0.30839%0.387SS..SBendtrans-93156.2-179.983.40000112.2K106 G107 N112 V113K106-S110 PolarHBondContact O-N 2.94Å; G107-S110 WeakPolarHBondContact O-CB 3.41Å; G107-S110 PolarHBondContact O-N 3.22Å; G107-S110 PolarHBondContact O-OG 2.83Å; S110-N112 PolarHBondContact O-N 3.04Å; S110-N112 VanDerWaalsContact O-N 3.11Å; S110-N112 PolarHBondContact OG-N 2.83Å; S110-V113 WeakPolarHBondContact O-CB 3.44Å; S110-V113 PolarHBondContact O-N 2.93Å; S110-V113 PolarHBondContact OG-N 3.23Å
111R63.4Low63.6Low250 Ų25081.5 Ų81.594%0.94339%0.389SS*.THydrogen-bonded Turntrans-61.1-17170.9-71.3-176.3172.7-175.1-2.5113.4
112N64.6Low63.5Low107 Ų10778.9 Ų78.957%0.57239%0.389SS*.THydrogen-bonded Turntrans-98.216.1-178.5-67.9-9.5000113S110 I114 N115 M116S110-N112 PolarHBondContact O-N 3.04Å; S110-N112 VanDerWaalsContact O-N 3.11Å; S110-N112 PolarHBondContact OG-N 2.83Å; N112-I114 PolarHBondContact O-N 2.93Å; N112-I114 VanDerWaalsContact O-N 3.14Å; N112-N115 PolarHBondContact O-N 3.16Å; N112-M116 PolarHBondContact O-N 3.11Å
113V61.9Low63.3Low33 Ų3369.1 Ų69.120%0.235%0.354CS..Hα-helixtrans-54.4-34.4-178.667.70000113L108 S110 M116 F117L108-V113 HydrophobicContact CD2-CG2 4.47Å; S110-V113 WeakPolarHBondContact O-CB 3.44Å; S110-V113 PolarHBondContact O-N 2.93Å; S110-V113 PolarHBondContact OG-N 3.23Å; V113-M116 HydrophobicContact CG2-CE 4.15Å; V113-M116 WeakPolarHBondContact O-CB 3.32Å; V113-M116 PolarHBondContact O-N 2.97Å; V113-F117 HydrophobicContact CG2-CD2 3.72Å; V113-F117 HydrophobicContact CG2-CE2 3.53Å; V113-F117 WeakPolarHBondContact O-CD2 3.44Å; V113-F117 PolarHBondContact O-N 3.41Å
114I60.8Low63.2Low65 Ų6568.6 Ų68.633%0.33335%0.346SS..Hα-helixtrans-66.3-47.6177.7-59.5175000110.7N112 M116 F117 A118 I250 T254N112-I114 PolarHBondContact O-N 2.93Å; N112-I114 VanDerWaalsContact O-N 3.14Å; I114-M116 VanDerWaalsContact C-N 3.32Å; I114-M116 PolarHBondContact O-N 2.8Å; I114-F117 PolarHBondContact O-N 2.94Å; I114-A118 VanDerWaalsContact O-CB 3.26Å; I114-A118 WeakPolarHBondContact O-CB 3.37Å; I114-A118 PolarHBondContact O-N 3.25Å; I114-I250 HydrophobicContact CG2-CG2 4.49Å; I114-T254 HydrophobicContact CG2-CG2 3.65Å
115N61.3Low63.1Low97 Ų9771 Ų7152%0.51936%0.363SS..Hα-helixtrans-63.7-41.4175.6-77-3.7000110.7N112 F117 A118 T119N112-N115 PolarHBondContact O-N 3.16Å; N115-F117 VanDerWaalsContact C-N 3.34Å; N115-F117 PolarHBondContact O-N 2.92Å; N115-A118 PolarHBondContact O-N 3.5Å; N115-A118 VanDerWaalsContact O-N 3.11Å; N115-T119 PolarHBondContact O-N 2.75Å; N115-T119 PolarHBondContact O-OG1 3Å
116M65.9Low63.3Low15 Ų1567 Ų677%0.07435%0.346CS..Hα-helixtrans-55.6-46.7176-175.1-161.577.700111.9F104 G107 L108 N112 V113 I114 A120 L123F104-M116 HydrophobicContact CD2-CE 4.2Å; F104-M116 HydrophobicContact CE2-CE 4.14Å; G107-M116 WeakPolarHBondContact CA-SD 3.42Å; L108-M116 HydrophobicContact CD2-CE 4.44Å; L108-M116 HydrophobicContact CG-CE 4.21Å; N112-M116 PolarHBondContact O-N 3.11Å; V113-M116 HydrophobicContact CG2-CE 4.15Å; V113-M116 WeakPolarHBondContact O-CB 3.32Å; V113-M116 PolarHBondContact O-N 2.97Å; I114-M116 VanDerWaalsContact C-N 3.32Å; I114-M116 PolarHBondContact O-N 2.8Å; M116-A120 WeakPolarHBondContact O-CA 3.48Å; M116-A120 PolarHBondContact O-N 2.96Å; M116-L123 HydrophobicContact CG-CD1 3.39Å; M116-L123 HydrophobicContact CG-CG 4.12Å; M116-L123 HydrophobicContact SD-CD1 3.86Å
117F62.9Low63.6Low29 Ų2967 Ų6713%0.12735%0.348CS..Hα-helixtrans-73.7-30.3176.6-78.5-69.4000113.2F104 L108 V113 I114 N115 L225 I243 F246 F257F104-F117 HydrophobicContact CE2-CE1 4.08Å; F104-F117 HydrophobicContact CE2-CZ 4.37Å; F104-F117 HydrophobicContact CZ-CE1 4.37Å; F104-F117 HydrophobicContact CZ-CZ 4.43Å; L108-F117 HydrophobicContact CD2-CE2 3.78Å; L108-F117 HydrophobicContact CD2-CZ 3.63Å; V113-F117 HydrophobicContact CG2-CD2 3.72Å; V113-F117 HydrophobicContact CG2-CE2 3.53Å; V113-F117 WeakPolarHBondContact O-CD2 3.44Å; V113-F117 PolarHBondContact O-N 3.41Å; I114-F117 PolarHBondContact O-N 2.94Å; N115-F117 VanDerWaalsContact C-N 3.34Å; N115-F117 PolarHBondContact O-N 2.92Å; F117-L225 WeakPolarHBondContact O-CD2 3.34Å; F117-I243 HydrophobicContact CE1-CG2 4.35Å; F117-F246 HydrophobicContact CE2-CE1 4.29Å; F117-F257 HydrophobicContact CB-CE1 4.35Å; F117-F257 HydrophobicContact CB-CZ 3.78Å
118A57.9Low64.5Low13 Ų1368.1 Ų68.111%0.10735%0.352CS..Hα-helixtrans-74.2-34.3-179.400000113.3I114 N115 F257I114-A118 VanDerWaalsContact O-CB 3.26Å; I114-A118 WeakPolarHBondContact O-CB 3.37Å; I114-A118 PolarHBondContact O-N 3.25Å; N115-A118 PolarHBondContact O-N 3.5Å; N115-A118 VanDerWaalsContact O-N 3.11Å; A118-F257 HydrophobicContact CB-CE2 4Å
119T59.3Low65.8Low29 Ų2971.3 Ų71.318%0.17837%0.365CS..Hα-helixtrans-118.7-16.5-173.463.90000113.5N115 E121 N173N115-T119 PolarHBondContact O-N 2.75Å; N115-T119 PolarHBondContact O-OG1 3Å; T119-E121 PolarHBondContact O-N 3.49Å; T119-E121 VanDerWaalsContact O-N 3.09Å; T119-E121 WeakPolarHBondContact OG1-CB 3.46Å; T119-E121 PolarHBondContact OG1-N 3Å; T119-N173 WeakPolarHBondContact CA-OD1 3.49Å; T119-N173 PolarHBondContact O-ND2 2.94Å; T119-N173 PolarHBondContact O-OD1 3.23Å
120A59.1Low66.9Low25 Ų2567.7 Ų67.721%0.20735%0.354CS..  trans51.126.5-168.200000113M116 G122 L123 L124M116-A120 WeakPolarHBondContact O-CA 3.48Å; M116-A120 PolarHBondContact O-N 2.96Å; A120-G122 PolarHBondContact O-N 3.38Å; A120-L123 PolarHBondContact O-N 3.41Å; A120-L124 HydrophobicContact CB-CD1 3.75Å; A120-L124 HydrophobicContact CB-CG 4.01Å
121E62.3Low68.1Low103 Ų10366.8 Ų66.848%0.48135%0.345SS..THydrogen-bonded Turntrans-63.3131.1-174.2-179.8172.8-160.800111.6T119 L123T119-E121 PolarHBondContact O-N 3.49Å; T119-E121 VanDerWaalsContact O-N 3.09Å; T119-E121 WeakPolarHBondContact OG1-CB 3.46Å; T119-E121 PolarHBondContact OG1-N 3Å; E121-L123 PolarHBondContact O-N 3.27Å; E121-L123 VanDerWaalsContact O-N 3.15Å
122G59.3Low69.2Low56 Ų5659.5 Ų59.558%0.57733%0.333SS*.THydrogen-bonded Turntrans71.2-0.5-179.800000115.2A120A120-G122 PolarHBondContact O-N 3.38Å
123L59.9Low70.4Confident14 Ų1456.1 Ų56.17%0.07332%0.315CS..THydrogen-bonded Turntrans-95.9-25179.5-64.1-176.3000113.7V99 D100 A103 F104 M116 A120 E121V99-L123 WeakPolarHBondContact CA-O 3.44Å; D100-L123 PolarHBondContact N-O 3.24Å; A103-L123 HydrophobicContact CB-CD2 3.6Å; F104-L123 HydrophobicContact CB-CD2 4.15Å; F104-L123 HydrophobicContact CD2-CD1 3.94Å; F104-L123 VanDerWaalsContact N-CD2 3.31Å; M116-L123 HydrophobicContact CG-CD1 3.39Å; M116-L123 HydrophobicContact CG-CG 4.12Å; M116-L123 HydrophobicContact SD-CD1 3.86Å; A120-L123 PolarHBondContact O-N 3.41Å; E121-L123 PolarHBondContact O-N 3.27Å; E121-L123 VanDerWaalsContact O-N 3.15Å
124L64.1Low71.9Confident18 Ų1856.4 Ų56.49%0.09432%0.324CS..EExtended strand (participates in β ladder)trans-110.7111.9-171-57-175.7000110.1M94 P97 V99 A120 I234M94-L124 HydrophobicContact CE-CD1 4.48Å; P97-L124 HydrophobicContact CB-CB 4.45Å; P97-L124 HydrophobicContact CB-CD1 4.11Å; P97-L124 HydrophobicContact CB-CD2 3.89Å; P97-L124 HydrophobicContact CB-CG 4.37Å; V99-L124 HydrophobicContact CG2-CD2 3.83Å; A120-L124 HydrophobicContact CB-CD1 3.75Å; A120-L124 HydrophobicContact CB-CG 4.01Å; L124-I234 HydrophobicContact CD1-CD1 4.34Å; L124-I234 HydrophobicContact CD2-CG2 4.12Å
125T62Low73.6Confident70 Ų7053.6 Ų53.643%0.42931%0.31SS..EExtended strand (participates in β ladder)trans-94.6143159.351.50000109.2T98T98-T125 PolarHBondContact N-O 3.04Å; T98-T125 PolarHBondContact O-N 3.18Å; T98-T125 PolarHBondContact OG1-O 3.37Å; T98-T125 VanDerWaalsContact OG1-O 3.06Å; T98-T125 PolarHBondContact OG1-OG1 3.1Å
126Q70.8Confident75.3Confident21 Ų2149.9 Ų49.910%0.09829%0.289CS..  trans-124.7137.7-178.4-61.2166.31.300108.7M94 K190 P192M94-Q126 VanDerWaalsContact CG-NE2 3.26Å; M94-Q126 PolarHBondContact SD-NE2 3.1Å; Q126-K190 PolarHBondContact N-O 3.17Å; Q126-P192 HydrophobicContact CB-CG 3.82Å
127Q74.3Confident76.7Confident169 Ų16951.3 Ų51.379%0.7930%0.296SS*.  trans-96.6121.8167.6-72.7-176.7-11.800108.1P95P95-Q127 WeakPolarHBondContact CG-O 3.4Å
128D85.1Confident78.2Confident35 Ų3550 Ų5019%0.18729%0.29CS..  trans-101.6155.6173-158.51.6000109.5E137 V138 P192D128-E137 WeakPolarHBondContact OD1-CB 3.39Å; D128-E137 PolarHBondContact OD1-N 3.38Å; D128-V138 HydrophobicContact CB-CG2 4.49Å; D128-V138 PolarHBondContact OD1-N 3.04Å; D128-V138 WeakPolarHBondContact OD2-CB 3.47Å; D128-V138 PolarHBondContact OD2-N 3.34Å; D128-P192 HydrophobicContact CB-CB 4.2Å; D128-P192 HydrophobicContact CB-CG 4.06Å
129Q89.2Confident80.1Confident123 Ų12349.6 Ų49.658%0.57529%0.286SS*.  trans-134166.5179.462.8-177.1-3.600110.1E137Q129-E137 HydrophobicContact CG-CB 4.34Å; Q129-E137 VanDerWaalsContact CG-OE2 3.25Å; Q129-E137 WeakPolarHBondContact CG-OE2 3.45Å; Q129-E137 PolarHBondContact NE2-OE2 2.96Å; Q129-E137 WeakPolarHBondContact O-CB 3.39Å; Q129-E137 PolarHBondContact O-N 3.34Å
130L92.9Very high82Confident105 Ų10548.4 Ų48.455%0.5528%0.279SS..BIsolated β-bridgetrans-79.7138.5172.7-63.8173.6000110.3L135 Q136L130-L135 CarbonylContact C-O 3.5Å; L130-L135 WeakPolarHBondContact CA-O 3.27Å; L130-Q136 HydrophobicContact CD2-CG 4.39Å; L130-Q136 VanDerWaalsContact CD2-OE1 3.24Å
131N92.4Very high83.8Confident26 Ų2647.7 Ų47.714%0.13927%0.272CS..  trans-80.2-179.1169.575.1-4.3000111.4G65 D133 G134 L135 E137 A140G65-N131 PolarHBondContact O-ND2 3.36Å; N131-D133 PolarHBondContact O-N 3.24Å; N131-D133 VanDerWaalsContact O-N 3.11Å; N131-D133 WeakPolarHBondContact OD1-CA 3.42Å; N131-D133 WeakPolarHBondContact OD1-CB 3.31Å; N131-D133 PolarHBondContact OD1-N 3.42Å; N131-G134 PolarHBondContact O-N 2.95Å; N131-G134 PolarHBondContact OD1-N 3.46Å; N131-G134 VanDerWaalsContact OD1-N 3.11Å; N131-L135 PolarHBondContact N-O 3.1Å; N131-L135 PolarHBondContact OD1-N 3.35Å; N131-L135 PolarHBondContact OD1-O 2.88Å; N131-E137 HydrophobicContact CB-CG 4.5Å; N131-A140 WeakPolarHBondContact ND2-CB 3.32Å
132S87.9Confident85.5Confident96 Ų9642.9 Ų42.967%0.67125%0.249SC*.THydrogen-bonded Turntrans-61.1-18.2177.155.10000114.7
133D89.7Confident87.3Confident37 Ų3740.2 Ų40.220%0.19822%0.222CC..THydrogen-bonded Turntrans-93.1-0.4179.4-58-41.1000112.5S66 V67 N131 L135S66-D133 WeakPolarHBondContact CA-OD2 3.43Å; V67-D133 HydrophobicContact CG2-CB 4.12Å; V67-D133 WeakPolarHBondContact CG2-OD2 3.48Å; V67-D133 PolarHBondContact N-OD2 3.44Å; N131-D133 PolarHBondContact O-N 3.24Å; N131-D133 VanDerWaalsContact O-N 3.11Å; N131-D133 WeakPolarHBondContact OD1-CA 3.42Å; N131-D133 WeakPolarHBondContact OD1-CB 3.31Å; N131-D133 PolarHBondContact OD1-N 3.42Å; D133-L135 HydrophobicContact CB-CD1 4.48Å; D133-L135 HydrophobicContact CB-CG 4.47Å
134G93.3Very high89.2Confident39 Ų3939.6 Ų39.640%0.40222%0.219SC..SBendtrans76.122.6-178.300000113.7N131N131-G134 PolarHBondContact O-N 2.95Å; N131-G134 PolarHBondContact OD1-N 3.46Å; N131-G134 VanDerWaalsContact OD1-N 3.11Å
135L95.9Very high90.8Very high6 Ų638.9 Ų38.93%0.03122%0.216CC..SBendtrans-109.6149.8177.1-59.4175.5000110.2L130 N131 D133 E137 A140 F144 L319 V323L130-L135 CarbonylContact C-O 3.5Å; L130-L135 WeakPolarHBondContact CA-O 3.27Å; N131-L135 PolarHBondContact N-O 3.1Å; N131-L135 PolarHBondContact OD1-N 3.35Å; N131-L135 PolarHBondContact OD1-O 2.88Å; D133-L135 HydrophobicContact CB-CD1 4.48Å; D133-L135 HydrophobicContact CB-CG 4.47Å; L135-E137 PolarHBondContact O-N 3.1Å; L135-A140 HydrophobicContact CB-CB 4.03Å; L135-A140 HydrophobicContact CD1-CB 4.44Å; L135-F144 HydrophobicContact CD1-CD1 3.48Å; L135-F144 VanDerWaalsContact CD1-CD1 3.48Å; L135-F144 HydrophobicContact CD1-CE1 3.64Å; L135-F144 HydrophobicContact CD1-CG 4.47Å; L135-L319 HydrophobicContact CD2-CD1 4.19Å; L135-L319 HydrophobicContact CD2-CD2 4.45Å; L135-V323 HydrophobicContact CD1-CG2 4.38Å; L135-V323 HydrophobicContact CD2-CG2 4.44Å
136Q96.6Very high92.6Very high19 Ų1935.6 Ų35.69%0.08920%0.195CC..BIsolated β-bridgetrans-57.4125.6171.3-71.3-69.488.400110.1L130 V138 F139 A140 Q185 R187L130-Q136 HydrophobicContact CD2-CG 4.39Å; L130-Q136 VanDerWaalsContact CD2-OE1 3.24Å; Q136-V138 VanDerWaalsContact C-N 3.34Å; Q136-V138 PolarHBondContact O-N 3.38Å; Q136-F139 HydrophobicContact CB-CB 4.12Å; Q136-F139 PolarHBondContact O-N 3.14Å; Q136-A140 WeakPolarHBondContact O-CB 3.31Å; Q136-A140 PolarHBondContact O-N 3.1Å; Q136-Q185 HydrophobicContact CB-CB 4.18Å; Q136-Q185 VanDerWaalsContact CB-O 3.25Å; Q136-Q185 WeakPolarHBondContact CB-O 3.38Å; Q136-Q185 HydrophobicContact CG-CB 3.97Å; Q136-Q185 VanDerWaalsContact CG-O 3.31Å; Q136-Q185 WeakPolarHBondContact CG-O 3.49Å; Q136-R187 HydrophobicContact CG-CG 3.67Å
137E95.4Very high93.9Very high45 Ų4534.6 Ų34.621%0.2119%0.191CC..Hα-helixtrans-61.7-41.1-165.8-166-173.6173.700111.8I93 D128 Q129 N131 L135 A140 T141I93-E137 HydrophobicContact CD1-CB 4.31Å; I93-E137 HydrophobicContact CD1-CG 3.66Å; D128-E137 WeakPolarHBondContact OD1-CB 3.39Å; D128-E137 PolarHBondContact OD1-N 3.38Å; Q129-E137 HydrophobicContact CG-CB 4.34Å; Q129-E137 VanDerWaalsContact CG-OE2 3.25Å; Q129-E137 WeakPolarHBondContact CG-OE2 3.45Å; Q129-E137 PolarHBondContact NE2-OE2 2.96Å; Q129-E137 WeakPolarHBondContact O-CB 3.39Å; Q129-E137 PolarHBondContact O-N 3.34Å; N131-E137 HydrophobicContact CB-CG 4.5Å; L135-E137 PolarHBondContact O-N 3.1Å; E137-A140 PolarHBondContact O-N 3.48Å; E137-T141 WeakPolarHBondContact O-CB 3.4Å; E137-T141 PolarHBondContact O-N 3.46Å; E137-T141 PolarHBondContact O-OG1 3.28Å
138V95.7Very high95.1Very high0 Ų026.6 Ų26.60%015%0.153CC..Hα-helixtrans-66-47.3178-178.90000111.1I93 P95 D128 Q136 T141 N142 P192I93-V138 HydrophobicContact CD1-CG2 4.38Å; I93-V138 HydrophobicContact CG1-CG2 4.4Å; P95-V138 HydrophobicContact CG-CG2 3.39Å; D128-V138 HydrophobicContact CB-CG2 4.49Å; D128-V138 PolarHBondContact OD1-N 3.04Å; D128-V138 WeakPolarHBondContact OD2-CB 3.47Å; D128-V138 PolarHBondContact OD2-N 3.34Å; Q136-V138 VanDerWaalsContact C-N 3.34Å; Q136-V138 PolarHBondContact O-N 3.38Å; V138-T141 PolarHBondContact O-N 2.84Å; V138-N142 WeakPolarHBondContact CG1-ND2 3.49Å; V138-N142 WeakPolarHBondContact O-CB 3.4Å; V138-N142 PolarHBondContact O-N 3.47Å; V138-P192 HydrophobicContact CB-CB 4.06Å; V138-P192 HydrophobicContact CG1-CB 4.19Å; V138-P192 HydrophobicContact CG2-CB 4.17Å; V138-P192 HydrophobicContact CG2-CG 4.4Å
139F97.6Very high95.7Very high6 Ų624.9 Ų24.93%0.02614%0.144CC..Hα-helixtrans-61.1-45.4176.5168.8-94000111.5Q136 T141 L143 F144 I184 Q185 L316 L319Q136-F139 HydrophobicContact CB-CB 4.12Å; Q136-F139 PolarHBondContact O-N 3.14Å; F139-T141 PolarHBondContact O-N 3.1Å; F139-L143 HydrophobicContact CD2-CD2 3.86Å; F139-L143 HydrophobicContact CE2-CD2 3.38Å; F139-L143 HydrophobicContact CZ-CD2 4.08Å; F139-L143 WeakPolarHBondContact O-CB 3.42Å; F139-L143 PolarHBondContact O-N 3.49Å; F139-F144 HydrophobicContact CD1-CB 4Å; F139-F144 HydrophobicContact CE1-CB 3.47Å; F139-F144 VanDerWaalsContact CE1-CB 3.47Å; F139-F144 HydrophobicContact CE1-CD2 4.23Å; F139-F144 AromaticContact CE1-CG 3.89Å; F139-F144 HydrophobicContact CE1-CG 3.89Å; F139-F144 HydrophobicContact CZ-CB 3.91Å; F139-F144 HydrophobicContact CZ-CD2 4.33Å; F139-F144 HydrophobicContact CZ-CG 4.36Å; F139-F144 PolarHBondContact O-N 3.22Å; F139-I184 WeakPolarHBondContact CD2-O 3.37Å; F139-I184 HydrophobicContact CE2-CG1 4.36Å; F139-I184 WeakPolarHBondContact CE2-O 3.44Å; F139-I184 HydrophobicContact CZ-CD1 4.28Å; F139-I184 HydrophobicContact CZ-CG1 4.38Å; F139-Q185 HydrophobicContact CB-CB 4.49Å; F139-Q185 HydrophobicContact CD1-CB 4.23Å; F139-Q185 HydrophobicContact CD1-CG 3.72Å; F139-Q185 HydrophobicContact CE1-CG 3.74Å; F139-Q185 HydrophobicContact CE2-CG 4.49Å; F139-Q185 HydrophobicContact CG-CB 4.2Å; F139-Q185 HydrophobicContact CG-CG 4.12Å; F139-Q185 HydrophobicContact CZ-CG 4.13Å; F139-L316 HydrophobicContact CE2-CD2 4.31Å; F139-L316 HydrophobicContact CZ-CD2 3.89Å; F139-L319 HydrophobicContact CE1-CD2 3.64Å; F139-L319 HydrophobicContact CZ-CD2 3.8Å
140A97.7Very high96.2Very high3 Ų319 Ų193%0.02512%0.117CC..Iπ-helixtrans-59.2-49.5179.400000111.1N131 L135 Q136 E137 F144 G145N131-A140 WeakPolarHBondContact ND2-CB 3.32Å; L135-A140 HydrophobicContact CB-CB 4.03Å; L135-A140 HydrophobicContact CD1-CB 4.44Å; Q136-A140 WeakPolarHBondContact O-CB 3.31Å; Q136-A140 PolarHBondContact O-N 3.1Å; E137-A140 PolarHBondContact O-N 3.48Å; A140-F144 PolarHBondContact O-N 2.99Å; A140-G145 PolarHBondContact O-N 3.07Å
141T97.2Very high96.4Very high10 Ų1017.3 Ų17.36%0.06110%0.103CC..Iπ-helixtrans-79.6-38.9-172.4-52.70000113.6G65 I93 E137 V138 F139 H146G65-T141 WeakPolarHBondContact CA-OG1 3.43Å; I93-T141 HydrophobicContact CD1-CG2 4.43Å; I93-T141 HydrophobicContact CG1-CG2 4.15Å; I93-T141 HydrophobicContact CG2-CG2 3.97Å; E137-T141 WeakPolarHBondContact O-CB 3.4Å; E137-T141 PolarHBondContact O-N 3.46Å; E137-T141 PolarHBondContact O-OG1 3.28Å; V138-T141 PolarHBondContact O-N 2.84Å; F139-T141 PolarHBondContact O-N 3.1Å; T141-H146 PolarHBondContact O-CE1 2.97Å; T141-H146 VanDerWaalsContact O-CE1 3.26Å; T141-H146 PolarHBondContact O-ND1 2.98Å
142N97.8Very high96.7Very high2 Ų217.4 Ų17.41%0.01110%0.103CC..Iπ-helixtrans-87.3-14-173.9-66.6-0.4000113.4G92 I93 V138 S196G92-N142 WeakPolarHBondContact CA-OD1 3.37Å; I93-N142 PolarHBondContact N-OD1 3.23Å; I93-N142 PolarHBondContact O-ND2 2.86Å; I93-N142 PolarHBondContact O-OD1 3.49Å; V138-N142 WeakPolarHBondContact CG1-ND2 3.49Å; V138-N142 WeakPolarHBondContact O-CB 3.4Å; V138-N142 PolarHBondContact O-N 3.47Å; N142-S196 WeakPolarHBondContact CB-OG 3.35Å; N142-S196 PolarHBondContact ND2-OG 3.11Å
143L98.6Very high97.2Very high0 Ų012.9 Ų12.90%07%0.071CC..Iπ-helixtrans-142.9-65.3-173-177.591.3000112.9F139 G145 H146 F147 A199 L203 F312 L316F139-L143 HydrophobicContact CD2-CD2 3.86Å; F139-L143 HydrophobicContact CE2-CD2 3.38Å; F139-L143 HydrophobicContact CZ-CD2 4.08Å; F139-L143 WeakPolarHBondContact O-CB 3.42Å; F139-L143 PolarHBondContact O-N 3.49Å; L143-G145 PolarHBondContact O-N 3.13Å; L143-H146 WeakPolarHBondContact O-CB 3.43Å; L143-H146 PolarHBondContact O-N 3.18Å; L143-H146 VanDerWaalsContact O-N 3.13Å; L143-F147 PolarHBondContact O-N 3.18Å; L143-A199 VanDerWaalsContact CD1-C 3.48Å; L143-A199 HydrophobicContact CD1-CB 3.94Å; L143-A199 HydrophobicContact CD2-CB 3.89Å; L143-A199 HydrophobicContact CG-CB 4.45Å; L143-L203 HydrophobicContact CD1-CB 4.21Å; L143-L203 HydrophobicContact CD1-CD2 3.88Å; L143-L203 HydrophobicContact CG-CD2 4.4Å; L143-F312 HydrophobicContact CD2-CE2 4.46Å; L143-F312 HydrophobicContact CD2-CZ 3.69Å; L143-L316 HydrophobicContact CD2-CD2 4.09Å
144F98.6Very high97.6Very high1 Ų112.6 Ų12.60%0.0047%0.069CC..Iπ-helixtrans-67.9-37-164.1-177.4-109.7000113.1V67 L135 F139 A140 F147 L148 L316 L319 V323V67-F144 HydrophobicContact CG2-CE1 4.37Å; L135-F144 HydrophobicContact CD1-CD1 3.48Å; L135-F144 VanDerWaalsContact CD1-CD1 3.48Å; L135-F144 HydrophobicContact CD1-CE1 3.64Å; L135-F144 HydrophobicContact CD1-CG 4.47Å; F139-F144 HydrophobicContact CD1-CB 4Å; F139-F144 HydrophobicContact CE1-CB 3.47Å; F139-F144 VanDerWaalsContact CE1-CB 3.47Å; F139-F144 HydrophobicContact CE1-CD2 4.23Å; F139-F144 AromaticContact CE1-CG 3.89Å; F139-F144 HydrophobicContact CE1-CG 3.89Å; F139-F144 HydrophobicContact CZ-CB 3.91Å; F139-F144 HydrophobicContact CZ-CD2 4.33Å; F139-F144 HydrophobicContact CZ-CG 4.36Å; F139-F144 PolarHBondContact O-N 3.22Å; A140-F144 PolarHBondContact O-N 2.99Å; F144-F147 AromaticContact CD2-CD1 3.99Å; F144-F147 HydrophobicContact CD2-CD1 3.99Å; F144-F147 HydrophobicContact CE2-CD1 4.01Å; F144-F147 HydrophobicContact CE2-CE1 4.39Å; F144-F147 WeakPolarHBondContact O-CB 3.25Å; F144-F147 PolarHBondContact O-N 2.85Å; F144-L148 HydrophobicContact CD1-CD1 3.98Å; F144-L148 HydrophobicContact CD1-CG 4.35Å; F144-L148 HydrophobicContact CE1-CD1 3.47Å; F144-L148 VanDerWaalsContact CE1-CD1 3.47Å; F144-L148 HydrophobicContact CE1-CD2 4.49Å; F144-L148 HydrophobicContact CE1-CG 3.96Å; F144-L148 HydrophobicContact CE2-CD2 4.42Å; F144-L148 HydrophobicContact CE2-CG 4.32Å; F144-L148 HydrophobicContact CZ-CD1 3.87Å; F144-L148 HydrophobicContact CZ-CD2 4.04Å; F144-L148 HydrophobicContact CZ-CG 3.95Å; F144-L148 WeakPolarHBondContact O-CG 3.5Å; F144-L148 PolarHBondContact O-N 2.86Å; F144-L316 HydrophobicContact CD2-CD2 4.16Å; F144-L319 HydrophobicContact CD2-CD2 3.87Å; F144-L319 HydrophobicContact CD2-CG 4.41Å; F144-L319 HydrophobicContact CE2-CB 4.15Å; F144-L319 HydrophobicContact CE2-CD2 3.74Å; F144-L319 HydrophobicContact CE2-CG 3.77Å; F144-L319 HydrophobicContact CG-CD2 4.39Å; F144-L319 HydrophobicContact CZ-CD2 4.14Å; F144-L319 HydrophobicContact CZ-CG 3.87Å; F144-V323 HydrophobicContact CE1-CB 4.37Å; F144-V323 HydrophobicContact CE1-CG1 4.28Å; F144-V323 HydrophobicContact CE1-CG2 3.9Å; F144-V323 HydrophobicContact CZ-CB 4.26Å; F144-V323 HydrophobicContact CZ-CG2 3.93Å
145G98.6Very high97.8Very high3 Ų314.8 Ų14.83%0.0318%0.076CC..Hα-helixtrans-64.2-38.8172.800000112.9V64 A140 L143 L148 L149V64-G145 WeakPolarHBondContact O-CA 3.45Å; A140-G145 PolarHBondContact O-N 3.07Å; L143-G145 PolarHBondContact O-N 3.13Å; G145-L148 PolarHBondContact O-N 2.93Å; G145-L149 WeakPolarHBondContact O-CB 3.35Å; G145-L149 PolarHBondContact O-N 3.34Å
146H98.8Very high97.9Very high1 Ų115 Ų151%0.0058%0.077CC..Hα-helixtrans-65.6-41.2172.2-69.1107.1000111.8T8 L89 A91 T141 L143 L149 I150 W168T8-H146 PolarHBondContact OG1-NE2 3.39Å; L89-H146 HydrophobicContact CD2-CB 3.97Å; L89-H146 VanDerWaalsContact CD2-CD2 3.43Å; L89-H146 WeakPolarHBondContact CD2-CD2 3.37Å; A91-H146 PolarHBondContact O-CE1 2.84Å; T141-H146 PolarHBondContact O-CE1 2.97Å; T141-H146 VanDerWaalsContact O-CE1 3.26Å; T141-H146 PolarHBondContact O-ND1 2.98Å; L143-H146 WeakPolarHBondContact O-CB 3.43Å; L143-H146 PolarHBondContact O-N 3.18Å; L143-H146 VanDerWaalsContact O-N 3.13Å; H146-L149 WeakPolarHBondContact O-CB 3.32Å; H146-L149 PolarHBondContact O-N 2.99Å; H146-I150 WeakPolarHBondContact O-CD1 3.34Å; H146-I150 VanDerWaalsContact O-CG1 3.25Å; H146-I150 WeakPolarHBondContact O-CG1 3.47Å; H146-I150 PolarHBondContact O-N 2.77Å; H146-W168 HydrophobicContact CB-CH2 3.76Å; H146-W168 HydrophobicContact CB-CZ3 3.71Å
147F98.8Very high98Very high0 Ų014.1 Ų14.10%07%0.073CC..Hα-helixtrans-57.8-51.3174.1170.2-107000111.2L143 F144 L149 I150 R151 L203 F313 L316 L317 E320L143-F147 PolarHBondContact O-N 3.18Å; F144-F147 AromaticContact CD2-CD1 3.99Å; F144-F147 HydrophobicContact CD2-CD1 3.99Å; F144-F147 HydrophobicContact CE2-CD1 4.01Å; F144-F147 HydrophobicContact CE2-CE1 4.39Å; F144-F147 WeakPolarHBondContact O-CB 3.25Å; F144-F147 PolarHBondContact O-N 2.85Å; F147-L149 VanDerWaalsContact C-N 3.32Å; F147-L149 PolarHBondContact O-N 2.79Å; F147-I150 PolarHBondContact O-N 2.85Å; F147-R151 HydrophobicContact CD1-CG 4.49Å; F147-R151 HydrophobicContact CD2-CG 4.23Å; F147-R151 HydrophobicContact CE1-CG 4.12Å; F147-R151 HydrophobicContact CE2-CG 3.84Å; F147-R151 HydrophobicContact CZ-CG 3.79Å; F147-R151 VanDerWaalsContact O-CG 3.27Å; F147-R151 WeakPolarHBondContact O-CG 3.44Å; F147-R151 PolarHBondContact O-N 3.48Å; F147-L203 HydrophobicContact CB-CD2 3.85Å; F147-L203 HydrophobicContact CD2-CD1 3.9Å; F147-L203 HydrophobicContact CD2-CD2 3.99Å; F147-L203 HydrophobicContact CE2-CD1 4.35Å; F147-L203 HydrophobicContact CG-CD2 4.33Å; F147-F313 HydrophobicContact CE2-CD2 4.45Å; F147-F313 AromaticContact CE2-CE2 3.93Å; F147-F313 HydrophobicContact CE2-CE2 3.93Å; F147-L316 HydrophobicContact CD1-CB 4.26Å; F147-L316 HydrophobicContact CD2-CD1 4.26Å; F147-L316 HydrophobicContact CE1-CB 3.88Å; F147-L316 HydrophobicContact CE2-CB 4.24Å; F147-L316 HydrophobicContact CG-CD1 4.39Å; F147-L316 HydrophobicContact CZ-CB 3.86Å; F147-L317 HydrophobicContact CZ-CD2 3.95Å; F147-L317 HydrophobicContact CZ-CG 4.39Å; F147-E320 HydrophobicContact CE1-CB 4.08Å
148L98.6Very high98.1Very high1 Ų113.2 Ų13.21%0.0057%0.071CC..Hα-helixtrans-59.8-42.1176.1-73.3-179.6000112V67 V70 F144 G145 I150 R151 E152 E320V67-L148 HydrophobicContact CB-CD1 4.46Å; V67-L148 HydrophobicContact CG1-CD1 4.09Å; V67-L148 HydrophobicContact CG2-CD1 4Å; V70-L148 HydrophobicContact CG1-CB 3.92Å; F144-L148 HydrophobicContact CD1-CD1 3.98Å; F144-L148 HydrophobicContact CD1-CG 4.35Å; F144-L148 HydrophobicContact CE1-CD1 3.47Å; F144-L148 VanDerWaalsContact CE1-CD1 3.47Å; F144-L148 HydrophobicContact CE1-CD2 4.49Å; F144-L148 HydrophobicContact CE1-CG 3.96Å; F144-L148 HydrophobicContact CE2-CD2 4.42Å; F144-L148 HydrophobicContact CE2-CG 4.32Å; F144-L148 HydrophobicContact CZ-CD1 3.87Å; F144-L148 HydrophobicContact CZ-CD2 4.04Å; F144-L148 HydrophobicContact CZ-CG 3.95Å; F144-L148 WeakPolarHBondContact O-CG 3.5Å; F144-L148 PolarHBondContact O-N 2.86Å; G145-L148 PolarHBondContact O-N 2.93Å; L148-I150 PolarHBondContact O-N 2.95Å; L148-R151 PolarHBondContact O-N 3.26Å; L148-E152 WeakPolarHBondContact O-CG 3.33Å; L148-E152 PolarHBondContact O-N 3.14Å; L148-E320 HydrophobicContact CD2-CB 4.07Å; L148-E320 HydrophobicContact CD2-CG 3.72Å
149L98.8Very high98Very high0 Ų015.4 Ų15.40%08%0.081CC..Hα-helixtrans-59.9-45.1176.5-176.164.7000111.5T8 L62 V70 A74 L77 L87 G145 H146 F147 R151 E152 L153T8-L149 HydrophobicContact CG2-CD2 4.04Å; L62-L149 HydrophobicContact CD2-CD2 3.96Å; V70-L149 HydrophobicContact CG1-CB 3.87Å; V70-L149 HydrophobicContact CG1-CD1 4.32Å; A74-L149 HydrophobicContact CB-CD1 4.24Å; L77-L149 HydrophobicContact CD1-CD1 4.43Å; L87-L149 HydrophobicContact CD1-CD2 4.29Å; G145-L149 WeakPolarHBondContact O-CB 3.35Å; G145-L149 PolarHBondContact O-N 3.34Å; H146-L149 WeakPolarHBondContact O-CB 3.32Å; H146-L149 PolarHBondContact O-N 2.99Å; F147-L149 VanDerWaalsContact C-N 3.32Å; F147-L149 PolarHBondContact O-N 2.79Å; L149-R151 VanDerWaalsContact C-N 3.35Å; L149-R151 PolarHBondContact O-N 2.9Å; L149-E152 PolarHBondContact O-N 2.98Å; L149-L153 HydrophobicContact CD1-CD1 3.74Å; L149-L153 HydrophobicContact CD1-CG 4.18Å; L149-L153 HydrophobicContact CG-CD1 3.82Å; L149-L153 HydrophobicContact CG-CG 4.48Å; L149-L153 WeakPolarHBondContact O-CB 3.33Å; L149-L153 WeakPolarHBondContact O-CG 3.4Å; L149-L153 PolarHBondContact O-N 3.4Å
150I98.7Very high97.7Very high0 Ų021.2 Ų21.20%012%0.12CC..Hα-helixtrans-59.8-47.7175.7-67.4155.8000110.2L87 L89 H146 F147 L148 E152 L153 E154 L157 L166 W168 L207L87-I150 HydrophobicContact CD2-CG1 4.19Å; L89-I150 HydrophobicContact CD1-CD1 3.73Å; L89-I150 HydrophobicContact CD1-CG1 4.3Å; L89-I150 HydrophobicContact CD2-CD1 4.5Å; L89-I150 HydrophobicContact CD2-CG1 4.4Å; H146-I150 WeakPolarHBondContact O-CD1 3.34Å; H146-I150 VanDerWaalsContact O-CG1 3.25Å; H146-I150 WeakPolarHBondContact O-CG1 3.47Å; H146-I150 PolarHBondContact O-N 2.77Å; F147-I150 PolarHBondContact O-N 2.85Å; L148-I150 PolarHBondContact O-N 2.95Å; I150-E152 VanDerWaalsContact C-N 3.33Å; I150-E152 PolarHBondContact O-N 3.47Å; I150-L153 CarbonylContact O-C 3.6Å; I150-L153 PolarHBondContact O-N 2.98Å; I150-L153 VanDerWaalsContact O-N 3.13Å; I150-E154 WeakPolarHBondContact O-CG 3.39Å; I150-E154 PolarHBondContact O-N 3.49Å; I150-L157 HydrophobicContact CG2-CD1 4.46Å; I150-L166 HydrophobicContact CD1-CD1 3.87Å; I150-L166 HydrophobicContact CG1-CD1 4.01Å; I150-L166 HydrophobicContact CG1-CD2 4.2Å; I150-L166 HydrophobicContact CG2-CD1 3.99Å; I150-W168 HydrophobicContact CD1-CH2 3.92Å; I150-W168 HydrophobicContact CD1-CZ2 3.47Å; I150-W168 VanDerWaalsContact CD1-CZ2 3.47Å; I150-L207 HydrophobicContact CD1-CD1 3.88Å; I150-L207 HydrophobicContact CG2-CD2 4.32Å
151R98.3Very high97.4Very high69 Ų6925.1 Ų25.126%0.2616%0.16SC..Hα-helixtrans-59.3-42.8-178.9-68.1-69.2-66143.17.4111.9F147 L148 L149 L153 E154 E320F147-R151 HydrophobicContact CD1-CG 4.49Å; F147-R151 HydrophobicContact CD2-CG 4.23Å; F147-R151 HydrophobicContact CE1-CG 4.12Å; F147-R151 HydrophobicContact CE2-CG 3.84Å; F147-R151 HydrophobicContact CZ-CG 3.79Å; F147-R151 VanDerWaalsContact O-CG 3.27Å; F147-R151 WeakPolarHBondContact O-CG 3.44Å; F147-R151 PolarHBondContact O-N 3.48Å; L148-R151 PolarHBondContact O-N 3.26Å; L149-R151 VanDerWaalsContact C-N 3.35Å; L149-R151 PolarHBondContact O-N 2.9Å; R151-L153 VanDerWaalsContact C-N 3.34Å; R151-E154 IonicContact CZ-OE1 2.89Å; R151-E154 IonicContact CZ-OE2 3.4Å; R151-E154 IonicContact NE-OE1 3.67Å; R151-E154 IonicContact NH1-OE1 2.97Å; R151-E154 PolarHBondContact NH1-OE1 2.84Å; R151-E154 IonicContact NH1-OE2 2.65Å; R151-E154 PolarHBondContact NH1-OE2 3.28Å; R151-E154 WeakPolarHBondContact O-CG 3.25Å; R151-E320 IonicContact NE-OE2 3.37Å; R151-E320 PolarHBondContact NE-OE2 3.37Å
152E98.5Very high97.2Very high28 Ų2827.9 Ų27.913%0.13117%0.172CC..Hα-helixtrans-70-29.8176.8-72.9-62.4153.400113.6L71 A74 K78 L148 L149 I150 P155 R324L71-E152 HydrophobicContact CD2-CG 3.75Å; L71-E152 WeakPolarHBondContact CD2-OE1 3.32Å; A74-E152 HydrophobicContact CB-CB 3.43Å; A74-E152 VanDerWaalsContact CB-CB 3.43Å; A74-E152 HydrophobicContact CB-CG 4.06Å; K78-E152 IonicContact NZ-OE2 2.74Å; K78-E152 PolarHBondContact NZ-OE2 3.39Å; L148-E152 WeakPolarHBondContact O-CG 3.33Å; L148-E152 PolarHBondContact O-N 3.14Å; L149-E152 PolarHBondContact O-N 2.98Å; I150-E152 VanDerWaalsContact C-N 3.33Å; I150-E152 PolarHBondContact O-N 3.47Å; E152-P155 WeakPolarHBondContact O-CD 3.41Å; E152-R324 IonicContact OE1-CZ 3.52Å; E152-R324 IonicContact OE1-NH1 2.86Å; E152-R324 PolarHBondContact OE1-NH1 2.81Å; E152-R324 IonicContact OE1-NH2 2.78Å; E152-R324 PolarHBondContact OE1-NH2 2.81Å
153L98.6Very high97.1Very high0 Ų030.8 Ų30.80%019%0.19CC..Hα-helixtrans-92.93.4-179.1-63.4178.3000113.5A74 L77 K78 L87 L149 I150 R151 P155 L156 L157A74-L153 HydrophobicContact CB-CD2 4.15Å; A74-L153 HydrophobicContact CB-CG 4.48Å; L77-L153 HydrophobicContact CB-CD2 3.8Å; L77-L153 HydrophobicContact CD1-CD1 3.69Å; L77-L153 HydrophobicContact CD1-CD2 3.89Å; L77-L153 HydrophobicContact CD1-CG 4.39Å; K78-L153 HydrophobicContact CG-CD2 4.46Å; L87-L153 HydrophobicContact CD2-CD1 4.09Å; L149-L153 HydrophobicContact CD1-CD1 3.74Å; L149-L153 HydrophobicContact CD1-CG 4.18Å; L149-L153 HydrophobicContact CG-CD1 3.82Å; L149-L153 HydrophobicContact CG-CG 4.48Å; L149-L153 WeakPolarHBondContact O-CB 3.33Å; L149-L153 WeakPolarHBondContact O-CG 3.4Å; L149-L153 PolarHBondContact O-N 3.4Å; I150-L153 CarbonylContact O-C 3.6Å; I150-L153 PolarHBondContact O-N 2.98Å; I150-L153 VanDerWaalsContact O-N 3.13Å; R151-L153 VanDerWaalsContact C-N 3.34Å; L153-P155 VanDerWaalsContact C-N 3.25Å; L153-L156 HydrophobicContact CD2-CD1 3.96Å; L153-L156 WeakPolarHBondContact O-CA 3.27Å; L153-L156 PolarHBondContact O-N 3.27Å; L153-L157 HydrophobicContact CB-CD1 3.74Å; L153-L157 HydrophobicContact CB-CG 4.14Å; L153-L157 WeakPolarHBondContact O-CB 3.03Å; L153-L157 WeakPolarHBondContact O-CG 3.46Å; L153-L157 PolarHBondContact O-N 3.45Å
154E98.1Very high97Very high32 Ų3230.9 Ų30.915%0.1519%0.191CC..Hα-helixtrans-49.2-40.9174.3-70-172.5174.500113.2I150 R151 L156 L157 C158 K211I150-E154 WeakPolarHBondContact O-CG 3.39Å; I150-E154 PolarHBondContact O-N 3.49Å; R151-E154 IonicContact CZ-OE1 2.89Å; R151-E154 IonicContact CZ-OE2 3.4Å; R151-E154 IonicContact NE-OE1 3.67Å; R151-E154 IonicContact NH1-OE1 2.97Å; R151-E154 PolarHBondContact NH1-OE1 2.84Å; R151-E154 IonicContact NH1-OE2 2.65Å; R151-E154 PolarHBondContact NH1-OE2 3.28Å; R151-E154 WeakPolarHBondContact O-CG 3.25Å; E154-L156 PolarHBondContact O-N 2.97Å; E154-L157 PolarHBondContact O-N 3.18Å; E154-C158 WeakPolarHBondContact O-CB 3.4Å; E154-C158 PolarHBondContact O-N 2.92Å; E154-K211 WeakPolarHBondContact OE1-CE 3.28Å; E154-K211 IonicContact OE1-NZ 2.65Å; E154-K211 PolarHBondContact OE1-NZ 2.8Å; E154-K211 IonicContact OE2-NZ 2.73Å; E154-K211 PolarHBondContact OE2-NZ 3.13Å
155P97.8Very high97Very high85 Ų8531.4 Ų31.455%0.55219%0.193SC*.Hα-helixtrans-61.9-25.3175.4-24.235.6000115E152 L153 Q159E152-P155 WeakPolarHBondContact O-CD 3.41Å; L153-P155 VanDerWaalsContact C-N 3.25Å; P155-Q159 WeakPolarHBondContact O-CG 3.5Å; P155-Q159 PolarHBondContact O-NE2 2.82Å
156L97.9Very high97.1Very high11 Ų1131.3 Ų31.36%0.05819%0.192CC..Hα-helixtrans-92.8-25.9176.6-58.7-169.4000113.1L77 K78 Y81 R83 V84 L153 E154L77-L156 HydrophobicContact CB-CD1 4.4Å; K78-L156 HydrophobicContact CG-CD1 4.11Å; K78-L156 HydrophobicContact CG-CD2 4.42Å; K78-L156 HydrophobicContact CG-CG 4.09Å; Y81-L156 WeakPolarHBondContact O-CD2 3.13Å; R83-L156 WeakPolarHBondContact CA-O 3.49Å; V84-L156 HydrophobicContact CB-CB 4.49Å; V84-L156 HydrophobicContact CG2-CB 4.16Å; V84-L156 HydrophobicContact CG2-CD1 3.94Å; V84-L156 PolarHBondContact N-O 2.81Å; V84-L156 VanDerWaalsContact N-O 3.1Å; L153-L156 HydrophobicContact CD2-CD1 3.96Å; L153-L156 WeakPolarHBondContact O-CA 3.27Å; L153-L156 PolarHBondContact O-N 3.27Å; E154-L156 PolarHBondContact O-N 2.97Å
157L98.1Very high97.1Very high0 Ų031.2 Ų31.20%019%0.191CC..Hα-helixtrans-93.7-34.7-174-69.5169.4000112.6V84 L87 I150 L153 E154 S164 L166 L216V84-L157 HydrophobicContact CB-CD2 3.93Å; V84-L157 HydrophobicContact CG1-CD2 3.97Å; L87-L157 HydrophobicContact CB-CD2 4.43Å; L87-L157 HydrophobicContact CD2-CD1 4.29Å; I150-L157 HydrophobicContact CG2-CD1 4.46Å; L153-L157 HydrophobicContact CB-CD1 3.74Å; L153-L157 HydrophobicContact CB-CG 4.14Å; L153-L157 WeakPolarHBondContact O-CB 3.03Å; L153-L157 WeakPolarHBondContact O-CG 3.46Å; L153-L157 PolarHBondContact O-N 3.45Å; E154-L157 PolarHBondContact O-N 3.18Å; L157-S164 WeakPolarHBondContact O-CB 3.41Å; L157-S164 PolarHBondContact O-OG 2.87Å; L157-L166 HydrophobicContact CD1-CD2 4.08Å; L157-L166 HydrophobicContact CD2-CD2 4.33Å; L157-L216 HydrophobicContact CB-CD1 3.99Å; L157-L216 HydrophobicContact CB-CD2 4.23Å; L157-L216 HydrophobicContact CD1-CD2 4.47Å; L157-L216 HydrophobicContact CD2-CD1 4.24Å; L157-L216 HydrophobicContact CG-CD1 4.48Å
158C96.8Very high97Very high25 Ų2531.4 Ų31.417%0.16919%0.192CC..SBendtrans-106.454.9-173.5-66.60000111.7E154 Q214E154-C158 WeakPolarHBondContact O-CB 3.4Å; E154-C158 PolarHBondContact O-N 2.92Å; C158-Q214 WeakPolarHBondContact CA-O 3.47Å; C158-Q214 HydrophobicContact CB-CB 3.95Å
159Q94Very high97Very high46 Ų4631.8 Ų31.822%0.21519%0.194CC..  trans-89.9134.3-179.5-67.2-170.5-300111.8H82 P155 G161 H162H82-Q159 PolarHBondContact O-NE2 2.81Å; P155-Q159 WeakPolarHBondContact O-CG 3.5Å; P155-Q159 PolarHBondContact O-NE2 2.82Å; Q159-G161 PolarHBondContact O-N 3.28Å; Q159-H162 HydrophobicContact CB-CB 4.18Å; Q159-H162 PolarHBondContact O-N 2.88Å
160P92.4Very high96.8Very high129 Ų12931.8 Ų31.884%0.83820%0.195SC*.THydrogen-bonded Turntrans-54129.5178-26.434.4000112.3H162P160-H162 PolarHBondContact O-N 2.96Å
161G90.1Very high96.4Very high85 Ų8532.5 Ų32.588%0.87620%0.199SC*.THydrogen-bonded Turntrans76.25.6179.200000115.1Q159Q159-G161 PolarHBondContact O-N 3.28Å
162H92.4Very high95.9Very high67 Ų6731.4 Ų31.431%0.3120%0.202SC..  trans-119.5141.8175.9-67.8-61.7000111.4Q159 P160Q159-H162 HydrophobicContact CB-CB 4.18Å; Q159-H162 PolarHBondContact O-N 2.88Å; P160-H162 PolarHBondContact O-N 2.96Å
163T96.2Very high95.2Very high63 Ų6331.1 Ų31.139%0.38720%0.202SC..  trans-105.2123.9177.6-57.60000109.4G215 F217 P276T163-G215 WeakPolarHBondContact CA-O 3.31Å; T163-F217 HydrophobicContact CG2-CD2 3.73Å; T163-F217 HydrophobicContact CG2-CE2 3.85Å; T163-P276 HydrophobicContact CG2-CG 3.51Å
164S98Very high94.8Very high3 Ų331.8 Ų31.82%0.02121%0.208CC..EExtended strand (participates in β ladder)trans-119.3151.4177.7-53.40000110.5V84 D85 L157 G215 F217V84-S164 WeakPolarHBondContact O-CB 3.43Å; V84-S164 PolarHBondContact O-OG 3.46Å; V84-S164 VanDerWaalsContact O-OG 3.08Å; D85-S164 CarbonylContact O-C 3.57Å; D85-S164 WeakPolarHBondContact O-CA 3.49Å; L157-S164 WeakPolarHBondContact O-CB 3.41Å; L157-S164 PolarHBondContact O-OG 2.87Å; S164-G215 PolarHBondContact N-O 3.08Å; S164-F217 PolarHBondContact O-N 2.63Å
165R98.5Very high94.4Very high11 Ų1132.3 Ų32.34%0.04221%0.208CC..EExtended strand (participates in β ladder)trans-130.4123.1-170.1-60.4-177.666.4-164.20.8112.3D85 F86 L87 F217 L271 F272 Q274 P276D85-R165 PolarHBondContact O-N 3.12Å; F86-R165 CarbonylContact C-O 3.19Å; F86-R165 WeakPolarHBondContact CA-O 3.46Å; F86-R165 HydrophobicContact CD1-CB 3.83Å; F86-R165 HydrophobicContact CE1-CB 3.98Å; F86-R165 HydrophobicContact CE1-CG 4.29Å; F86-R165 HydrophobicContact CG-CB 4.46Å; L87-R165 PolarHBondContact N-O 3.22Å; R165-F217 CarbonylContact C-O 3.51Å; R165-F217 WeakPolarHBondContact CA-O 3.17Å; R165-L271 PolarHBondContact NH1-O 2.97Å; R165-L271 PolarHBondContact NH2-O 3.24Å; R165-F272 PolarHBondContact NH1-O 2.95Å; R165-Q274 PolarHBondContact NH1-O 3.04Å; R165-P276 HydrophobicContact CG-CB 4.34Å; R165-P276 HydrophobicContact CG-CG 4.3Å
166L98.7Very high94.1Very high1 Ų133.6 Ų33.61%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-92.8131.2167.9-53.1-178.6000109L87 L89 I150 L157 L207 L216 F217 S218 S219L87-L166 HydrophobicContact CB-CD2 3.81Å; L87-L166 HydrophobicContact CD2-CD2 3.89Å; L87-L166 HydrophobicContact CG-CD2 4.23Å; L87-L166 WeakPolarHBondContact O-CA 3.02Å; L89-L166 HydrophobicContact CD1-CB 4.32Å; I150-L166 HydrophobicContact CD1-CD1 3.87Å; I150-L166 HydrophobicContact CG1-CD1 4.01Å; I150-L166 HydrophobicContact CG1-CD2 4.2Å; I150-L166 HydrophobicContact CG2-CD1 3.99Å; L157-L166 HydrophobicContact CD1-CD2 4.08Å; L157-L166 HydrophobicContact CD2-CD2 4.33Å; L166-L207 HydrophobicContact CD1-CD1 3.76Å; L166-L216 HydrophobicContact CD1-CD1 4.19Å; L166-L216 HydrophobicContact CD1-CD2 4.1Å; L166-L216 HydrophobicContact CD1-CG 4.24Å; L166-L216 HydrophobicContact CD2-CD1 3.93Å; L166-L216 HydrophobicContact CG-CD1 3.66Å; L166-L216 HydrophobicContact CG-CD2 4.46Å; L166-L216 HydrophobicContact CG-CG 4.21Å; L166-F217 PolarHBondContact N-O 3.45Å; L166-S218 CarbonylContact O-C 3.58Å; L166-S218 WeakPolarHBondContact O-CA 3.23Å; L166-S219 PolarHBondContact O-N 2.74Å
167V98.8Very high93.8Very high0 Ų037.9 Ų37.90%023%0.233CC..EExtended strand (participates in β ladder)trans-128.3110.9176.8-171.70000109.7L87 Y88 L89 S219 V221 L268 L271L87-V167 PolarHBondContact O-N 2.95Å; Y88-V167 HydrophobicContact CD1-CB 3.55Å; Y88-V167 HydrophobicContact CD1-CG1 3.85Å; Y88-V167 HydrophobicContact CD1-CG2 4.15Å; Y88-V167 HydrophobicContact CE1-CB 3.64Å; Y88-V167 HydrophobicContact CE1-CG1 3.74Å; Y88-V167 HydrophobicContact CE1-CG2 3.81Å; Y88-V167 HydrophobicContact CG-CB 4.3Å; L89-V167 PolarHBondContact N-O 2.85Å; V167-S219 WeakPolarHBondContact CA-O 3.41Å; V167-V221 HydrophobicContact CG1-CG2 4.17Å; V167-L268 HydrophobicContact CG1-CD2 3.52Å; V167-L271 HydrophobicContact CG1-CD1 3.71Å
168W98.6Very high93.5Very high3 Ų338.2 Ų38.21%0.01124%0.235CC..EExtended strand (participates in β ladder)trans-88.1131.8-178.7-65.786.4000111.5L89 H146 I150 S170 L203 L207 S218 S219 V220 V221L89-W168 HydrophobicContact CB-CD2 4.1Å; L89-W168 HydrophobicContact CB-CE3 3.85Å; L89-W168 HydrophobicContact CB-CZ3 4.23Å; L89-W168 HydrophobicContact CD1-CD2 3.44Å; L89-W168 VanDerWaalsContact CD1-CD2 3.44Å; L89-W168 HydrophobicContact CD1-CE3 3.79Å; L89-W168 HydrophobicContact CD1-CG 4.02Å; L89-W168 HydrophobicContact CD1-CH2 3.76Å; L89-W168 HydrophobicContact CD1-CZ2 3.41Å; L89-W168 VanDerWaalsContact CD1-CZ2 3.41Å; L89-W168 HydrophobicContact CD1-CZ3 3.94Å; L89-W168 HydrophobicContact CG-CD2 4.42Å; L89-W168 HydrophobicContact CG-CE3 4.47Å; H146-W168 HydrophobicContact CB-CH2 3.76Å; H146-W168 HydrophobicContact CB-CZ3 3.71Å; I150-W168 HydrophobicContact CD1-CH2 3.92Å; I150-W168 HydrophobicContact CD1-CZ2 3.47Å; I150-W168 VanDerWaalsContact CD1-CZ2 3.47Å; W168-S170 PolarHBondContact O-N 3Å; W168-L203 HydrophobicContact CH2-CD2 3.46Å; W168-L203 VanDerWaalsContact CH2-CD2 3.46Å; W168-L203 HydrophobicContact CH2-CG 4.2Å; W168-L203 HydrophobicContact CZ2-CB 4.5Å; W168-L203 HydrophobicContact CZ2-CD2 3.63Å; W168-L203 HydrophobicContact CZ2-CG 3.88Å; W168-L207 HydrophobicContact CZ2-CD1 4.08Å; W168-S218 VanDerWaalsContact CD1-OG 3.26Å; W168-S218 PolarHBondContact NE1-OG 3.36Å; W168-S219 PolarHBondContact N-O 2.87Å; W168-V220 HydrophobicContact CB-CG2 4.44Å; W168-V221 PolarHBondContact O-N 3.46Å
169T97.5Very high93.4Very high9 Ų938 Ų386%0.05523%0.232CC..EExtended strand (participates in β ladder)trans-90.892.9167.4-53.40000109.5L89 N90 K197 P223L89-T169 PolarHBondContact O-N 3.36Å; N90-T169 WeakPolarHBondContact CA-OG1 3.33Å; T169-K197 PolarHBondContact O-NZ 3.34Å; T169-P223 HydrophobicContact CG2-CG 4.16Å
170S95.5Very high93.5Very high1 Ų138 Ų381%0.00724%0.237CC..  trans-87.8-153176.3-173.20000110.8W168 K197 D201 V221 P223 K284W168-S170 PolarHBondContact O-N 3Å; S170-K197 PolarHBondContact OG-O 2.74Å; S170-D201 WeakPolarHBondContact CB-OD1 3.21Å; S170-D201 PolarHBondContact OG-OD1 3.29Å; S170-V221 CarbonylContact C-O 3.13Å; S170-V221 WeakPolarHBondContact CA-O 3.48Å; S170-V221 WeakPolarHBondContact CB-O 3.29Å; S170-V221 PolarHBondContact N-O 2.96Å; S170-P223 WeakPolarHBondContact O-CD 3.25Å; S170-K284 PolarHBondContact OG-NZ 2.9Å
171S90.6Very high93.7Very high14 Ų1432.9 Ų32.910%0.09820%0.202CC..  trans-154160.7179.4-178.10000110.8N173 A174 K284S171-N173 PolarHBondContact O-N 2.86Å; S171-N173 PolarHBondContact OG-N 3.37Å; S171-A174 WeakPolarHBondContact O-CB 3.37Å; S171-A174 PolarHBondContact O-N 3.33Å; S171-K284 PolarHBondContact O-NZ 2.78Å
172S86.7Confident94Very high47 Ų4736.4 Ų36.433%0.32920%0.196SC..THydrogen-bonded Turntrans-62.6-20.8162.745.80000112A174 C222S172-A174 VanDerWaalsContact C-N 3.28Å; S172-A174 PolarHBondContact O-N 2.99Å; S172-C222 PolarHBondContact N-SG 3.41Å
173N83.9Confident94.2Very high21 Ų2134.7 Ų34.711%0.11219%0.189CC..THydrogen-bonded Turntrans-83.5-0.5178.8-71.512000113.7T119 S171 R175 Y193 S194T119-N173 WeakPolarHBondContact CA-OD1 3.49Å; T119-N173 PolarHBondContact O-ND2 2.94Å; T119-N173 PolarHBondContact O-OD1 3.23Å; S171-N173 PolarHBondContact O-N 2.86Å; S171-N173 PolarHBondContact OG-N 3.37Å; N173-R175 PolarHBondContact O-N 3.08Å; N173-Y193 HydrophobicContact CB-CE1 4.42Å; N173-S194 WeakPolarHBondContact O-CA 3.5Å; N173-S194 WeakPolarHBondContact O-CB 3.18Å; N173-S194 PolarHBondContact O-OG 3.05Å
174A90Very high94.3Very high15 Ų1532.7 Ų32.712%0.12418%0.175CC..  trans-67.896.9172.500000109.4S171 S172 K197 D201 K284S171-A174 WeakPolarHBondContact O-CB 3.37Å; S171-A174 PolarHBondContact O-N 3.33Å; S172-A174 VanDerWaalsContact C-N 3.28Å; S172-A174 PolarHBondContact O-N 2.99Å; A174-K197 HydrophobicContact CB-CB 3.8Å; A174-D201 VanDerWaalsContact CB-OD2 3.3Å; A174-D201 WeakPolarHBondContact CB-OD2 3.45Å; A174-K284 VanDerWaalsContact CB-NZ 3.29Å
175R89.3Confident94.2Very high42 Ų4233.1 Ų33.116%0.15818%0.177CC..  trans-119.6134.6-172.1-74.8177.9-74.8132.83110.8N173 S177 A178 E191 S194N173-R175 PolarHBondContact O-N 3.08Å; R175-S177 VanDerWaalsContact C-N 3.26Å; R175-S177 PolarHBondContact O-N 3.47Å; R175-A178 HydrophobicContact CB-CB 4.32Å; R175-A178 PolarHBondContact O-N 3.29Å; R175-A178 VanDerWaalsContact O-N 3.13Å; R175-E191 IonicContact CZ-OE1 3.32Å; R175-E191 IonicContact CZ-OE2 4Å; R175-E191 IonicContact NH1-OE1 3.17Å; R175-E191 PolarHBondContact NH1-OE1 2.95Å; R175-E191 IonicContact NH1-OE2 2.7Å; R175-E191 PolarHBondContact NH1-OE2 2.86Å; R175-E191 VanDerWaalsContact NH1-OE2 3.1Å; R175-E191 VanDerWaalsContact NH2-CD 3.26Å; R175-E191 IonicContact NH2-OE1 3Å; R175-E191 PolarHBondContact NH2-OE1 3.38Å; R175-E191 IonicContact NH2-OE2 2.75Å; R175-E191 PolarHBondContact NH2-OE2 3.23Å; R175-S194 PolarHBondContact NH2-OG 2.71Å
176R92.7Very high94Very high112 Ų11233.4 Ų33.442%0.42318%0.179SC..G310 helixtrans-57.6-39.5173.2-174.7172.3-172-1134.7112.2A178 F179 Y198R176-A178 PolarHBondContact O-N 3.48Å; R176-F179 PolarHBondContact O-N 3.01Å; R176-F179 VanDerWaalsContact O-N 3.15Å; R176-Y198 HydrophobicContact CB-CD2 4.41Å; R176-Y198 HydrophobicContact CB-CE1 4.48Å; R176-Y198 HydrophobicContact CB-CE2 3.73Å; R176-Y198 HydrophobicContact CG-CE1 4.46Å; R176-Y198 HydrophobicContact CG-CE2 4.36Å
177S92.1Very high93.7Very high101 Ų10140 Ų4071%0.70620%0.204SC*.G310 helixtrans-64.6-19.7179.154.50000114.5R175R175-S177 VanDerWaalsContact C-N 3.26Å; R175-S177 PolarHBondContact O-N 3.47Å
178A90.5Very high93.3Very high7 Ų745.9 Ų45.96%0.05824%0.243CC..G310 helixtrans-90.1-7.2178.300000113.1R175 R176 H186 E191 S195R175-A178 HydrophobicContact CB-CB 4.32Å; R175-A178 PolarHBondContact O-N 3.29Å; R175-A178 VanDerWaalsContact O-N 3.13Å; R176-A178 PolarHBondContact O-N 3.48Å; A178-H186 PolarHBondContact O-CE1 3.47Å; A178-H186 PolarHBondContact O-ND1 2.93Å; A178-E191 HydrophobicContact CB-CB 4.12Å; A178-S195 VanDerWaalsContact O-CB 3.26Å; A178-S195 WeakPolarHBondContact O-CB 3.42Å; A178-S195 PolarHBondContact O-OG 2.76Å
179F95.3Very high92.7Very high21 Ų2147.3 Ų47.39%0.09226%0.26CS..  trans-111.2141.7-174.9179.6-91.4000111.9R176 I181 I184 Y198 A199 M202 M308 F312R176-F179 PolarHBondContact O-N 3.01Å; R176-F179 VanDerWaalsContact O-N 3.15Å; F179-I181 HydrophobicContact CE1-CB 4.2Å; F179-I181 HydrophobicContact CE1-CD1 4.16Å; F179-I181 HydrophobicContact CZ-CD1 4.36Å; F179-I184 HydrophobicContact CZ-CB 4.48Å; F179-I184 HydrophobicContact CZ-CG2 4.11Å; F179-Y198 HydrophobicContact CB-CD1 3.41Å; F179-Y198 VanDerWaalsContact CB-CD1 3.41Å; F179-Y198 HydrophobicContact CB-CE1 4Å; F179-Y198 HydrophobicContact CB-CG 4.25Å; F179-Y198 HydrophobicContact CD1-CD1 4.06Å; F179-Y198 HydrophobicContact CD1-CE1 4.03Å; F179-Y198 HydrophobicContact CD2-CD1 4.25Å; F179-Y198 AromaticContact CG-CD1 3.65Å; F179-Y198 HydrophobicContact CG-CD1 3.65Å; F179-Y198 HydrophobicContact CG-CE1 4.09Å; F179-A199 HydrophobicContact CD2-CB 4.2Å; F179-A199 HydrophobicContact CE2-CB 3.98Å; F179-M202 HydrophobicContact CD1-CE 3.8Å; F179-M202 HydrophobicContact CD2-CE 4.12Å; F179-M202 HydrophobicContact CE1-CE 3.52Å; F179-M202 HydrophobicContact CE1-SD 4.45Å; F179-M202 HydrophobicContact CE2-CE 3.86Å; F179-M202 HydrophobicContact CG-CE 4.1Å; F179-M202 HydrophobicContact CZ-CE 3.55Å; F179-M308 HydrophobicContact CD1-SD 4.32Å; F179-M308 HydrophobicContact CE1-SD 4.37Å; F179-F312 HydrophobicContact CE2-CD2 4.31Å; F179-F312 HydrophobicContact CE2-CE2 4.03Å; F179-F312 AromaticContact CZ-CD2 3.67Å; F179-F312 HydrophobicContact CZ-CD2 3.67Å; F179-F312 AromaticContact CZ-CE2 3.87Å; F179-F312 HydrophobicContact CZ-CE2 3.87Å; F179-F312 HydrophobicContact CZ-CG 4.35Å
180S96.3Very high92.2Very high45 Ų4554.5 Ų54.532%0.31529%0.29SS..  trans-126127.8172.5176.80000110.5Q182 D183 I184S180-Q182 PolarHBondContact O-N 2.99Å; S180-Q182 PolarHBondContact OG-N 2.76Å; S180-Q182 PolarHBondContact OG-OE1 3.29Å; S180-D183 CarbonylContact O-C 3.53Å; S180-D183 PolarHBondContact O-N 3.18Å; S180-D183 VanDerWaalsContact O-N 3.16Å; S180-I184 PolarHBondContact O-N 3.07Å
181I96.9Very high91.8Very high23 Ų2356.6 Ų56.612%0.11830%0.3CS..THydrogen-bonded Turntrans-69.8-22.5177.2-167.360.2000112.6F179 I184 M308 V311 F312 K315F179-I181 HydrophobicContact CE1-CB 4.2Å; F179-I181 HydrophobicContact CE1-CD1 4.16Å; F179-I181 HydrophobicContact CZ-CD1 4.36Å; I181-I184 HydrophobicContact CD1-CG2 4.35Å; I181-I184 WeakPolarHBondContact O-CG2 3.04Å; I181-M308 HydrophobicContact CB-CG 4.3Å; I181-M308 HydrophobicContact CD1-CG 4.21Å; I181-M308 HydrophobicContact CG1-CG 4.31Å; I181-V311 HydrophobicContact CD1-CB 4.47Å; I181-V311 HydrophobicContact CD1-CG1 4.09Å; I181-V311 HydrophobicContact CG1-CG1 3.86Å; I181-F312 HydrophobicContact CD1-CB 3.67Å; I181-F312 HydrophobicContact CD1-CD2 4.31Å; I181-F312 HydrophobicContact CD1-CG 4.47Å; I181-K315 HydrophobicContact CD1-CD 4.09Å; I181-K315 HydrophobicContact CG1-CD 4.38Å; I181-K315 VanDerWaalsContact O-CE 3.25Å; I181-K315 WeakPolarHBondContact O-CE 3.46Å
182Q96.6Very high91.9Very high159 Ų15956.1 Ų56.174%0.74330%0.296SS*.THydrogen-bonded Turntrans-78.4-22.9174-67.77523.900112.2S180S180-Q182 PolarHBondContact O-N 2.99Å; S180-Q182 PolarHBondContact OG-N 2.76Å; S180-Q182 PolarHBondContact OG-OE1 3.29Å
183D96.2Very high92.1Very high30 Ų3055.3 Ų55.316%0.1629%0.286CS..  trans-132.368.7-179.7-178.217.5000110.4S180 Q185 H186 R187 C188S180-D183 CarbonylContact O-C 3.53Å; S180-D183 PolarHBondContact O-N 3.18Å; S180-D183 VanDerWaalsContact O-N 3.16Å; D183-Q185 PolarHBondContact O-N 3.3Å; D183-Q185 VanDerWaalsContact O-N 3.12Å; D183-H186 PolarHBondContact O-N 2.97Å; D183-H186 PolarHBondContact OD1-N 2.93Å; D183-H186 VanDerWaalsContact OD1-N 3.15Å; D183-H186 WeakPolarHBondContact OD2-CA 3.46Å; D183-R187 VanDerWaalsContact CG-N 3.26Å; D183-R187 PolarHBondContact OD1-N 3.07Å; D183-R187 PolarHBondContact OD2-N 3.17Å; D183-C188 PolarHBondContact OD2-N 3.4Å
184I97.1Very high92.5Very high21 Ų2154.5 Ų54.511%0.10828%0.282CS..THydrogen-bonded Turntrans-62.3-22.2-175.667.2172000113.4F139 F179 S180 I181 F312 K315 L316 L319F139-I184 WeakPolarHBondContact CD2-O 3.37Å; F139-I184 HydrophobicContact CE2-CG1 4.36Å; F139-I184 WeakPolarHBondContact CE2-O 3.44Å; F139-I184 HydrophobicContact CZ-CD1 4.28Å; F139-I184 HydrophobicContact CZ-CG1 4.38Å; F179-I184 HydrophobicContact CZ-CB 4.48Å; F179-I184 HydrophobicContact CZ-CG2 4.11Å; S180-I184 PolarHBondContact O-N 3.07Å; I181-I184 HydrophobicContact CD1-CG2 4.35Å; I181-I184 WeakPolarHBondContact O-CG2 3.04Å; I184-F312 HydrophobicContact CB-CD2 4.38Å; I184-F312 HydrophobicContact CB-CE2 4.1Å; I184-F312 HydrophobicContact CG2-CD2 3.92Å; I184-F312 HydrophobicContact CG2-CE2 4.16Å; I184-K315 HydrophobicContact CD1-CB 4.08Å; I184-K315 HydrophobicContact CG2-CD 3.91Å; I184-L316 HydrophobicContact CD1-CD2 4.44Å; I184-L319 HydrophobicContact CD1-CD2 4.36Å
185Q96.6Very high92.8Very high13 Ų1353.9 Ų53.96%0.06128%0.277CS..THydrogen-bonded Turntrans-88-8.4178-62.5-172.518.100112.4Q136 F139 D183 R187Q136-Q185 HydrophobicContact CB-CB 4.18Å; Q136-Q185 VanDerWaalsContact CB-O 3.25Å; Q136-Q185 WeakPolarHBondContact CB-O 3.38Å; Q136-Q185 HydrophobicContact CG-CB 3.97Å; Q136-Q185 VanDerWaalsContact CG-O 3.31Å; Q136-Q185 WeakPolarHBondContact CG-O 3.49Å; F139-Q185 HydrophobicContact CB-CB 4.49Å; F139-Q185 HydrophobicContact CD1-CB 4.23Å; F139-Q185 HydrophobicContact CD1-CG 3.72Å; F139-Q185 HydrophobicContact CE1-CG 3.74Å; F139-Q185 HydrophobicContact CE2-CG 4.49Å; F139-Q185 HydrophobicContact CG-CB 4.2Å; F139-Q185 HydrophobicContact CG-CG 4.12Å; F139-Q185 HydrophobicContact CZ-CG 4.13Å; D183-Q185 PolarHBondContact O-N 3.3Å; D183-Q185 VanDerWaalsContact O-N 3.12Å; Q185-R187 HydrophobicContact CB-CG 4.06Å; Q185-R187 VanDerWaalsContact OE1-NE 3.14Å
186H94.9Very high93.2Very high16 Ų1652 Ų527%0.07427%0.27CS..  trans60.143.5-178.5-156.789.1000113.3A178 D183 G189 K190 E191 P192 S195A178-H186 PolarHBondContact O-CE1 3.47Å; A178-H186 PolarHBondContact O-ND1 2.93Å; D183-H186 PolarHBondContact O-N 2.97Å; D183-H186 PolarHBondContact OD1-N 2.93Å; D183-H186 VanDerWaalsContact OD1-N 3.15Å; D183-H186 WeakPolarHBondContact OD2-CA 3.46Å; H186-G189 WeakPolarHBondContact NE2-CA 3.38Å; H186-K190 PolarHBondContact NE2-N 2.72Å; H186-E191 PolarHBondContact NE2-N 2.69Å; H186-P192 HydrophobicContact CB-CB 4.5Å; H186-P192 WeakPolarHBondContact CD2-CA 3.47Å; H186-P192 VanDerWaalsContact CD2-N 3.31Å; H186-P192 VanDerWaalsContact NE2-N 3.18Å; H186-S195 WeakPolarHBondContact ND1-CB 3.29Å; H186-S195 PolarHBondContact ND1-OG 3.49Å; H186-S195 VanDerWaalsContact ND1-OG 3.13Å
187R92.6Very high93.3Very high140 Ų14047.2 Ų47.253%0.52825%0.253SS..SBendtrans-64.6-37.4179.3-66.3175.5178.1-158-1.9112.9Q136 D183 Q185Q136-R187 HydrophobicContact CG-CG 3.67Å; D183-R187 VanDerWaalsContact CG-N 3.26Å; D183-R187 PolarHBondContact OD1-N 3.07Å; D183-R187 PolarHBondContact OD2-N 3.17Å; Q185-R187 HydrophobicContact CB-CG 4.06Å; Q185-R187 VanDerWaalsContact OE1-NE 3.14Å
188C89Confident93.6Very high123 Ų12342.6 Ų42.683%0.83122%0.22SC*.SBendtrans-104.4-3.2-172.9-64.30000113.4D183D183-C188 PolarHBondContact OD2-N 3.4Å
189G86.1Confident93.9Very high34 Ų3442.3 Ų42.335%0.35122%0.217SC..  trans-94172.1-174.500000114.2H186H186-G189 WeakPolarHBondContact NE2-CA 3.38Å
190K86.8Confident94.1Very high159 Ų15941.4 Ų41.469%0.69121%0.213SC*.SBendtrans-106.8-13.9-176.9-63.2-179.2-179.51790115.1Q126 H186 P192Q126-K190 PolarHBondContact N-O 3.17Å; H186-K190 PolarHBondContact NE2-N 2.72Å; K190-P192 VanDerWaalsContact O-CD 3.3Å; K190-P192 WeakPolarHBondContact O-CD 3.37Å
191E88.4Confident94.2Very high46 Ų4639.4 Ų39.422%0.21520%0.199CC..  trans-118.855.4-176.9-50.9-170.9104.200113.6R175 A178 H186 Y193 S194 S195R175-E191 IonicContact CZ-OE1 3.32Å; R175-E191 IonicContact CZ-OE2 4Å; R175-E191 IonicContact NH1-OE1 3.17Å; R175-E191 PolarHBondContact NH1-OE1 2.95Å; R175-E191 IonicContact NH1-OE2 2.7Å; R175-E191 PolarHBondContact NH1-OE2 2.86Å; R175-E191 VanDerWaalsContact NH1-OE2 3.1Å; R175-E191 VanDerWaalsContact NH2-CD 3.26Å; R175-E191 IonicContact NH2-OE1 3Å; R175-E191 PolarHBondContact NH2-OE1 3.38Å; R175-E191 IonicContact NH2-OE2 2.75Å; R175-E191 PolarHBondContact NH2-OE2 3.23Å; A178-E191 HydrophobicContact CB-CB 4.12Å; H186-E191 PolarHBondContact NE2-N 2.69Å; E191-Y193 VanDerWaalsContact C-N 3.27Å; E191-Y193 PolarHBondContact O-N 2.82Å; E191-S194 PolarHBondContact O-N 3.01Å; E191-S194 VanDerWaalsContact O-N 3.13Å; E191-S195 PolarHBondContact O-N 2.86Å
192P92.3Very high94.2Very high4 Ų438.3 Ų38.33%0.02619%0.194CC..Hα-helixtrans-57-36.8-174.523-34.1000113Q126 D128 V138 H186 K190 S195 S196Q126-P192 HydrophobicContact CB-CG 3.82Å; D128-P192 HydrophobicContact CB-CB 4.2Å; D128-P192 HydrophobicContact CB-CG 4.06Å; V138-P192 HydrophobicContact CB-CB 4.06Å; V138-P192 HydrophobicContact CG1-CB 4.19Å; V138-P192 HydrophobicContact CG2-CB 4.17Å; V138-P192 HydrophobicContact CG2-CG 4.4Å; H186-P192 HydrophobicContact CB-CB 4.5Å; H186-P192 WeakPolarHBondContact CD2-CA 3.47Å; H186-P192 VanDerWaalsContact CD2-N 3.31Å; H186-P192 VanDerWaalsContact NE2-N 3.18Å; K190-P192 VanDerWaalsContact O-CD 3.3Å; K190-P192 WeakPolarHBondContact O-CD 3.37Å; P192-S195 PolarHBondContact O-N 3.47Å; P192-S196 WeakPolarHBondContact O-CB 3.2Å; P192-S196 PolarHBondContact O-N 3.45Å; P192-S196 PolarHBondContact O-OG 3.25Å
193Y91.6Very high94.3Very high30 Ų3030.8 Ų30.812%0.11816%0.158CC..Hα-helixtrans-62.4-52.2174.8178.9-100.9000112.2I93 M94 N173 E191 S195 S196 K197I93-Y193 WeakPolarHBondContact O-CD2 3.1Å; M94-Y193 HydrophobicContact CB-CD2 3.81Å; M94-Y193 HydrophobicContact CB-CE2 4.2Å; M94-Y193 HydrophobicContact CB-CG 4.27Å; M94-Y193 HydrophobicContact CG-CD1 4.48Å; M94-Y193 HydrophobicContact CG-CD2 3.97Å; M94-Y193 HydrophobicContact CG-CG 3.9Å; M94-Y193 HydrophobicContact SD-CD1 4.04Å; M94-Y193 HydrophobicContact SD-CD2 4.38Å; M94-Y193 HydrophobicContact SD-CE1 4.33Å; M94-Y193 HydrophobicContact SD-CG 4.06Å; N173-Y193 HydrophobicContact CB-CE1 4.42Å; E191-Y193 VanDerWaalsContact C-N 3.27Å; E191-Y193 PolarHBondContact O-N 2.82Å; Y193-S195 VanDerWaalsContact C-N 3.29Å; Y193-S195 PolarHBondContact O-N 3.02Å; Y193-S196 PolarHBondContact O-N 3.42Å; Y193-S196 PolarHBondContact O-OG 2.76Å; Y193-K197 HydrophobicContact CD1-CG 4.35Å; Y193-K197 HydrophobicContact CD2-CG 4.39Å; Y193-K197 HydrophobicContact CE1-CG 3.97Å; Y193-K197 HydrophobicContact CE2-CD 4.29Å; Y193-K197 HydrophobicContact CE2-CG 4.03Å; Y193-K197 WeakPolarHBondContact O-CG 3.4Å; Y193-K197 PolarHBondContact O-N 2.97Å; Y193-K197 WeakPolarHBondContact OH-CE 3.37Å
194S92.3Very high94.4Very high4 Ų429.4 Ų29.43%0.02815%0.151CC..Hα-helixtrans-58.2-42.9178.2-830000112N173 R175 E191 K197 Y198N173-S194 WeakPolarHBondContact O-CA 3.5Å; N173-S194 WeakPolarHBondContact O-CB 3.18Å; N173-S194 PolarHBondContact O-OG 3.05Å; R175-S194 PolarHBondContact NH2-OG 2.71Å; E191-S194 PolarHBondContact O-N 3.01Å; E191-S194 VanDerWaalsContact O-N 3.13Å; S194-K197 PolarHBondContact O-N 3.21Å; S194-Y198 PolarHBondContact O-N 3.33Å
195S95.4Very high94.5Very high2 Ų229.2 Ų29.21%0.01415%0.15CC..Hα-helixtrans-58.8-49.8174.9-169.40000111.5A178 H186 E191 P192 Y193 K197 Y198 A199A178-S195 VanDerWaalsContact O-CB 3.26Å; A178-S195 WeakPolarHBondContact O-CB 3.42Å; A178-S195 PolarHBondContact O-OG 2.76Å; H186-S195 WeakPolarHBondContact ND1-CB 3.29Å; H186-S195 PolarHBondContact ND1-OG 3.49Å; H186-S195 VanDerWaalsContact ND1-OG 3.13Å; E191-S195 PolarHBondContact O-N 2.86Å; P192-S195 PolarHBondContact O-N 3.47Å; Y193-S195 VanDerWaalsContact C-N 3.29Å; Y193-S195 PolarHBondContact O-N 3.02Å; S195-K197 VanDerWaalsContact C-N 3.34Å; S195-K197 PolarHBondContact O-N 2.91Å; S195-Y198 PolarHBondContact O-N 2.89Å; S195-A199 WeakPolarHBondContact O-CB 3.45Å; S195-A199 PolarHBondContact O-N 3.2Å
196S96.9Very high94.5Very high3 Ų328.6 Ų28.62%0.02115%0.147CC..Hα-helixtrans-63-35.7179.2740000113.6N142 P192 Y193 A199 S200N142-S196 WeakPolarHBondContact CB-OG 3.35Å; N142-S196 PolarHBondContact ND2-OG 3.11Å; P192-S196 WeakPolarHBondContact O-CB 3.2Å; P192-S196 PolarHBondContact O-N 3.45Å; P192-S196 PolarHBondContact O-OG 3.25Å; Y193-S196 PolarHBondContact O-N 3.42Å; Y193-S196 PolarHBondContact O-OG 2.76Å; S196-A199 WeakPolarHBondContact O-CB 3.47Å; S196-A199 PolarHBondContact O-N 3.43Å; S196-S200 PolarHBondContact O-N 3.23Å
197K96.3Very high94.7Very high11 Ų1127.9 Ų27.95%0.04814%0.144CC..Hα-helixtrans-73.9-38.4178.4-63.8-61.8179.5-175.90111.7T169 S170 A174 Y193 S194 S195 A199 S200 D201T169-K197 PolarHBondContact O-NZ 3.34Å; S170-K197 PolarHBondContact OG-O 2.74Å; A174-K197 HydrophobicContact CB-CB 3.8Å; Y193-K197 HydrophobicContact CD1-CG 4.35Å; Y193-K197 HydrophobicContact CD2-CG 4.39Å; Y193-K197 HydrophobicContact CE1-CG 3.97Å; Y193-K197 HydrophobicContact CE2-CD 4.29Å; Y193-K197 HydrophobicContact CE2-CG 4.03Å; Y193-K197 WeakPolarHBondContact O-CG 3.4Å; Y193-K197 PolarHBondContact O-N 2.97Å; Y193-K197 WeakPolarHBondContact OH-CE 3.37Å; S194-K197 PolarHBondContact O-N 3.21Å; S195-K197 VanDerWaalsContact C-N 3.34Å; S195-K197 PolarHBondContact O-N 2.91Å; K197-A199 VanDerWaalsContact C-N 3.34Å; K197-S200 PolarHBondContact O-N 2.89Å; K197-S200 PolarHBondContact O-OG 3.11Å; K197-D201 PolarHBondContact O-N 3.37Å
198Y97.4Very high94.9Very high4 Ų421.7 Ų21.72%0.01612%0.121CC..Hα-helixtrans-63.9-40.5170.2-176.8-100.1000112R176 F179 S194 S195 S200 D201 M202 D303 L304R176-Y198 HydrophobicContact CB-CD2 4.41Å; R176-Y198 HydrophobicContact CB-CE1 4.48Å; R176-Y198 HydrophobicContact CB-CE2 3.73Å; R176-Y198 HydrophobicContact CG-CE1 4.46Å; R176-Y198 HydrophobicContact CG-CE2 4.36Å; F179-Y198 HydrophobicContact CB-CD1 3.41Å; F179-Y198 VanDerWaalsContact CB-CD1 3.41Å; F179-Y198 HydrophobicContact CB-CE1 4Å; F179-Y198 HydrophobicContact CB-CG 4.25Å; F179-Y198 HydrophobicContact CD1-CD1 4.06Å; F179-Y198 HydrophobicContact CD1-CE1 4.03Å; F179-Y198 HydrophobicContact CD2-CD1 4.25Å; F179-Y198 AromaticContact CG-CD1 3.65Å; F179-Y198 HydrophobicContact CG-CD1 3.65Å; F179-Y198 HydrophobicContact CG-CE1 4.09Å; S194-Y198 PolarHBondContact O-N 3.33Å; S195-Y198 PolarHBondContact O-N 2.89Å; Y198-S200 VanDerWaalsContact C-N 3.28Å; Y198-S200 PolarHBondContact O-N 3.38Å; Y198-D201 WeakPolarHBondContact O-CB 3.45Å; Y198-D201 PolarHBondContact O-N 3.11Å; Y198-D201 VanDerWaalsContact O-N 3.15Å; Y198-M202 HydrophobicContact CD1-CE 3.64Å; Y198-M202 HydrophobicContact CD1-SD 4.21Å; Y198-M202 HydrophobicContact CE1-CE 3.54Å; Y198-M202 HydrophobicContact CE1-CG 4.03Å; Y198-M202 HydrophobicContact CE1-SD 3.51Å; Y198-M202 VanDerWaalsContact CE1-SD 3.51Å; Y198-M202 PolarHBondContact O-N 2.96Å; Y198-M202 VanDerWaalsContact O-N 3.12Å; Y198-D303 VanDerWaalsContact CE2-O 3.3Å; Y198-D303 WeakPolarHBondContact CE2-O 3.41Å; Y198-D303 PolarHBondContact OH-O 3Å; Y198-L304 HydrophobicContact CD2-CD2 4.48Å; Y198-L304 HydrophobicContact CE2-CD2 3.81Å
199A98.1Very high95.3Very high1 Ų122.5 Ų22.51%0.00811%0.111CC..Hα-helixtrans-60-37.4173.800000112.5L143 F179 S195 S196 K197 D201 M202 L203 F312L143-A199 VanDerWaalsContact CD1-C 3.48Å; L143-A199 HydrophobicContact CD1-CB 3.94Å; L143-A199 HydrophobicContact CD2-CB 3.89Å; L143-A199 HydrophobicContact CG-CB 4.45Å; F179-A199 HydrophobicContact CD2-CB 4.2Å; F179-A199 HydrophobicContact CE2-CB 3.98Å; S195-A199 WeakPolarHBondContact O-CB 3.45Å; S195-A199 PolarHBondContact O-N 3.2Å; S196-A199 WeakPolarHBondContact O-CB 3.47Å; S196-A199 PolarHBondContact O-N 3.43Å; K197-A199 VanDerWaalsContact C-N 3.34Å; A199-D201 VanDerWaalsContact C-N 3.34Å; A199-D201 PolarHBondContact O-N 3.25Å; A199-M202 HydrophobicContact CB-CE 4.48Å; A199-M202 PolarHBondContact O-N 3.22Å; A199-L203 WeakPolarHBondContact O-CB 3.39Å; A199-L203 PolarHBondContact O-N 3.35Å; A199-F312 HydrophobicContact CB-CE1 4.22Å; A199-F312 HydrophobicContact CB-CE2 4.37Å; A199-F312 HydrophobicContact CB-CZ 3.68Å; A199-F312 WeakPolarHBondContact O-CE1 3.24Å
200S98.1Very high95.8Very high1 Ų124.5 Ų24.51%0.00711%0.111CC..Hα-helixtrans-66.8-34.6175.772.80000112.8S196 K197 Y198 L203 S204S196-S200 PolarHBondContact O-N 3.23Å; K197-S200 PolarHBondContact O-N 2.89Å; K197-S200 PolarHBondContact O-OG 3.11Å; Y198-S200 VanDerWaalsContact C-N 3.28Å; Y198-S200 PolarHBondContact O-N 3.38Å; S200-L203 PolarHBondContact O-N 2.8Å; S200-S204 WeakPolarHBondContact O-CB 3.43Å; S200-S204 PolarHBondContact O-N 3.25Å
201D98.3Very high96.3Very high4 Ų417.8 Ų17.82%0.0218%0.081CC..Hα-helixtrans-64.7-47.6175.3-62.3-8.4000110.8S170 A174 K197 Y198 A199 S204 M205 V220 K284 M302 L304S170-D201 WeakPolarHBondContact CB-OD1 3.21Å; S170-D201 PolarHBondContact OG-OD1 3.29Å; A174-D201 VanDerWaalsContact CB-OD2 3.3Å; A174-D201 WeakPolarHBondContact CB-OD2 3.45Å; K197-D201 PolarHBondContact O-N 3.37Å; Y198-D201 WeakPolarHBondContact O-CB 3.45Å; Y198-D201 PolarHBondContact O-N 3.11Å; Y198-D201 VanDerWaalsContact O-N 3.15Å; A199-D201 VanDerWaalsContact C-N 3.34Å; A199-D201 PolarHBondContact O-N 3.25Å; D201-S204 PolarHBondContact O-N 2.94Å; D201-M205 PolarHBondContact O-N 3Å; D201-M205 VanDerWaalsContact O-N 3.15Å; D201-V220 VanDerWaalsContact OD1-CG1 3.26Å; D201-V220 WeakPolarHBondContact OD1-CG1 3.45Å; D201-K284 WeakPolarHBondContact OD1-CE 3.2Å; D201-K284 IonicContact OD1-NZ 3.18Å; D201-K284 PolarHBondContact OD1-NZ 3.15Å; D201-K284 WeakPolarHBondContact OD2-CE 3.39Å; D201-K284 IonicContact OD2-NZ 4Å; D201-K284 PolarHBondContact OD2-NZ 2.91Å; D201-M302 HydrophobicContact CB-SD 3.65Å; D201-L304 HydrophobicContact CB-CD1 4.49Å; D201-L304 HydrophobicContact CB-CD2 3.95Å
202M98.1Very high96.6Very high0 Ų017.9 Ų17.90%08%0.084CC..Hα-helixtrans-61.1-45.1175.2-73.6-172.4-62.100111.7F179 Y198 A199 S204 M205 A206 L304 M308 T309 F312F179-M202 HydrophobicContact CD1-CE 3.8Å; F179-M202 HydrophobicContact CD2-CE 4.12Å; F179-M202 HydrophobicContact CE1-CE 3.52Å; F179-M202 HydrophobicContact CE1-SD 4.45Å; F179-M202 HydrophobicContact CE2-CE 3.86Å; F179-M202 HydrophobicContact CG-CE 4.1Å; F179-M202 HydrophobicContact CZ-CE 3.55Å; Y198-M202 HydrophobicContact CD1-CE 3.64Å; Y198-M202 HydrophobicContact CD1-SD 4.21Å; Y198-M202 HydrophobicContact CE1-CE 3.54Å; Y198-M202 HydrophobicContact CE1-CG 4.03Å; Y198-M202 HydrophobicContact CE1-SD 3.51Å; Y198-M202 VanDerWaalsContact CE1-SD 3.51Å; Y198-M202 PolarHBondContact O-N 2.96Å; Y198-M202 VanDerWaalsContact O-N 3.12Å; A199-M202 HydrophobicContact CB-CE 4.48Å; A199-M202 PolarHBondContact O-N 3.22Å; M202-S204 VanDerWaalsContact C-N 3.33Å; M202-S204 PolarHBondContact O-N 3.4Å; M202-M205 PolarHBondContact O-N 3.46Å; M202-M205 VanDerWaalsContact O-N 3.15Å; M202-A206 PolarHBondContact O-N 3.11Å; M202-L304 HydrophobicContact CG-CD2 3.75Å; M202-M308 HydrophobicContact SD-CG 4.3Å; M202-M308 HydrophobicContact SD-SD 4.32Å; M202-T309 HydrophobicContact CB-CG2 4.2Å; M202-T309 VanDerWaalsContact O-CG2 3.23Å; M202-T309 WeakPolarHBondContact O-CG2 3.46Å; M202-F312 HydrophobicContact CB-CD1 3.88Å; M202-F312 HydrophobicContact CB-CE1 4.2Å; M202-F312 HydrophobicContact CE-CD1 3.94Å; M202-F312 HydrophobicContact CE-CD2 4.47Å; M202-F312 HydrophobicContact CE-CE1 4.21Å; M202-F312 HydrophobicContact CE-CG 4.06Å
203L98.6Very high96.7Very high0 Ų027.3 Ų27.30%013%0.127CC..Hα-helixtrans-62.8-40.1179.6179.855.3000111.7L143 F147 W168 A199 S200 M205 A206 L207 F312 F313 L316L143-L203 HydrophobicContact CD1-CB 4.21Å; L143-L203 HydrophobicContact CD1-CD2 3.88Å; L143-L203 HydrophobicContact CG-CD2 4.4Å; F147-L203 HydrophobicContact CB-CD2 3.85Å; F147-L203 HydrophobicContact CD2-CD1 3.9Å; F147-L203 HydrophobicContact CD2-CD2 3.99Å; F147-L203 HydrophobicContact CE2-CD1 4.35Å; F147-L203 HydrophobicContact CG-CD2 4.33Å; W168-L203 HydrophobicContact CH2-CD2 3.46Å; W168-L203 VanDerWaalsContact CH2-CD2 3.46Å; W168-L203 HydrophobicContact CH2-CG 4.2Å; W168-L203 HydrophobicContact CZ2-CB 4.5Å; W168-L203 HydrophobicContact CZ2-CD2 3.63Å; W168-L203 HydrophobicContact CZ2-CG 3.88Å; A199-L203 WeakPolarHBondContact O-CB 3.39Å; A199-L203 PolarHBondContact O-N 3.35Å; S200-L203 PolarHBondContact O-N 2.8Å; L203-M205 VanDerWaalsContact C-N 3.31Å; L203-M205 PolarHBondContact O-N 3.01Å; L203-A206 PolarHBondContact O-N 3.44Å; L203-L207 HydrophobicContact CD1-CD1 4.03Å; L203-L207 HydrophobicContact CD1-CG 3.99Å; L203-L207 HydrophobicContact CG-CD1 3.91Å; L203-L207 HydrophobicContact CG-CG 4.37Å; L203-L207 WeakPolarHBondContact O-CB 3.31Å; L203-L207 VanDerWaalsContact O-CG 3.24Å; L203-L207 WeakPolarHBondContact O-CG 3.49Å; L203-L207 PolarHBondContact O-N 3.21Å; L203-F312 HydrophobicContact CB-CE1 4.22Å; L203-F313 HydrophobicContact CD1-CD2 3.83Å; L203-F313 HydrophobicContact CD1-CE2 4.09Å; L203-L316 HydrophobicContact CD1-CD1 3.94Å; L203-L316 HydrophobicContact CD2-CD1 4.18Å
204S98.5Very high96.9Very high1 Ų130 Ų301%0.00714%0.141CC..Hα-helixtrans-59.2-42.9173.7-177.50000112S200 D201 M202 L207 N208 S218 V220S200-S204 WeakPolarHBondContact O-CB 3.43Å; S200-S204 PolarHBondContact O-N 3.25Å; D201-S204 PolarHBondContact O-N 2.94Å; M202-S204 VanDerWaalsContact C-N 3.33Å; M202-S204 PolarHBondContact O-N 3.4Å; S204-L207 PolarHBondContact O-N 3.2Å; S204-N208 PolarHBondContact O-N 3.35Å; S204-N208 VanDerWaalsContact O-N 3.13Å; S204-N208 PolarHBondContact O-ND2 3.15Å; S204-S218 WeakPolarHBondContact CA-OG 3.21Å; S204-S218 WeakPolarHBondContact CB-OG 3.4Å; S204-S218 WeakPolarHBondContact OG-CB 3.41Å; S204-S218 PolarHBondContact OG-OG 3.26Å; S204-V220 VanDerWaalsContact OG-CG2 3.31Å; S204-V220 WeakPolarHBondContact OG-CG2 3.19Å
205M97.6Very high97.1Very high18 Ų1830.5 Ų30.59%0.08915%0.147CC..Hα-helixtrans-66.4-44.2177.5-172.9176.772.800111.9D201 M202 L203 L207 N208 K209 L304 D306 T309D201-M205 PolarHBondContact O-N 3Å; D201-M205 VanDerWaalsContact O-N 3.15Å; M202-M205 PolarHBondContact O-N 3.46Å; M202-M205 VanDerWaalsContact O-N 3.15Å; L203-M205 VanDerWaalsContact C-N 3.31Å; L203-M205 PolarHBondContact O-N 3.01Å; M205-L207 PolarHBondContact O-N 2.99Å; M205-N208 PolarHBondContact O-N 3.43Å; M205-K209 PolarHBondContact O-N 3.42Å; M205-L304 HydrophobicContact CB-CD1 3.87Å; M205-L304 HydrophobicContact CE-CB 3.92Å; M205-L304 HydrophobicContact CE-CD1 4.14Å; M205-L304 HydrophobicContact CG-CD1 4.38Å; M205-L304 HydrophobicContact SD-CB 4.09Å; M205-L304 HydrophobicContact SD-CD1 3.74Å; M205-D306 WeakPolarHBondContact CE-OD1 3.25Å; M205-T309 HydrophobicContact CB-CG2 4.44Å; M205-T309 VanDerWaalsContact CE-CB 3.46Å; M205-T309 HydrophobicContact CE-CG2 3.54Å; M205-T309 WeakPolarHBondContact CE-OG1 3.49Å
206A98.1Very high97.2Very high0 Ų030.5 Ų30.50%015%0.146CC..Hα-helixtrans-58.1-47.9175.300000111M202 L203 N208 K209 H210 T309 F313M202-A206 PolarHBondContact O-N 3.11Å; L203-A206 PolarHBondContact O-N 3.44Å; A206-N208 VanDerWaalsContact C-N 3.33Å; A206-N208 PolarHBondContact O-N 3.33Å; A206-K209 PolarHBondContact O-N 3.39Å; A206-H210 PolarHBondContact O-CD2 3.27Å; A206-H210 PolarHBondContact O-N 2.77Å; A206-T309 HydrophobicContact CB-CG2 3.78Å; A206-F313 HydrophobicContact CB-CB 3.92Å; A206-F313 HydrophobicContact CB-CD2 3.87Å; A206-F313 HydrophobicContact CB-CG 3.98Å
207L98.1Very high97.3Very high1 Ų131.9 Ų31.91%0.00515%0.152CC..Hα-helixtrans-59.7-42.3179.7-72.1166.5000112.1I150 L166 W168 L203 S204 M205 K209 H210 K211 F313I150-L207 HydrophobicContact CD1-CD1 3.88Å; I150-L207 HydrophobicContact CG2-CD2 4.32Å; L166-L207 HydrophobicContact CD1-CD1 3.76Å; W168-L207 HydrophobicContact CZ2-CD1 4.08Å; L203-L207 HydrophobicContact CD1-CD1 4.03Å; L203-L207 HydrophobicContact CD1-CG 3.99Å; L203-L207 HydrophobicContact CG-CD1 3.91Å; L203-L207 HydrophobicContact CG-CG 4.37Å; L203-L207 WeakPolarHBondContact O-CB 3.31Å; L203-L207 VanDerWaalsContact O-CG 3.24Å; L203-L207 WeakPolarHBondContact O-CG 3.49Å; L203-L207 PolarHBondContact O-N 3.21Å; S204-L207 PolarHBondContact O-N 3.2Å; M205-L207 PolarHBondContact O-N 2.99Å; L207-K209 VanDerWaalsContact C-N 3.3Å; L207-K209 PolarHBondContact O-N 3.37Å; L207-H210 PolarHBondContact O-N 3.11Å; L207-K211 HydrophobicContact CD2-CG 4.3Å; L207-K211 WeakPolarHBondContact O-CA 3.16Å; L207-K211 WeakPolarHBondContact O-CB 3.03Å; L207-K211 PolarHBondContact O-N 3.23Å; L207-F313 HydrophobicContact CD2-CE2 4.29Å
208N97.6Very high97.4Very high9 Ų931.5 Ų31.55%0.04815%0.151CC..Hα-helixtrans-58-43.5174.4-79.5-36.3000112S204 M205 A206 H210 N212 S218 P281S204-N208 PolarHBondContact O-N 3.35Å; S204-N208 VanDerWaalsContact O-N 3.13Å; S204-N208 PolarHBondContact O-ND2 3.15Å; M205-N208 PolarHBondContact O-N 3.43Å; A206-N208 VanDerWaalsContact C-N 3.33Å; A206-N208 PolarHBondContact O-N 3.33Å; N208-H210 PolarHBondContact O-N 2.91Å; N208-N212 WeakPolarHBondContact CA-OD1 3.21Å; N208-N212 WeakPolarHBondContact O-CB 3.34Å; N208-N212 PolarHBondContact O-N 3.44Å; N208-N212 PolarHBondContact O-ND2 3.13Å; N208-N212 PolarHBondContact O-OD1 3.49Å; N208-N212 PolarHBondContact OD1-OD1 2.99Å; N208-N212 VanDerWaalsContact OD1-OD1 3.11Å; N208-S218 PolarHBondContact ND2-O 3.23Å; N208-S218 PolarHBondContact OD1-N 3.22Å; N208-S218 PolarHBondContact OD1-O 3.03Å; N208-P281 HydrophobicContact CB-CB 4.19Å
209K96.3Very high97.5Very high141 Ų14131.8 Ų31.861%0.61315%0.154SC*.Hα-helixtrans-66.6-37178.8-179.7163.8160.2-1590113M205 A206 L207 E310M205-K209 PolarHBondContact O-N 3.42Å; A206-K209 PolarHBondContact O-N 3.39Å; L207-K209 VanDerWaalsContact C-N 3.3Å; L207-K209 PolarHBondContact O-N 3.37Å; K209-E310 WeakPolarHBondContact CD-OE1 3.45Å; K209-E310 WeakPolarHBondContact CE-OE1 3.29Å; K209-E310 VanDerWaalsContact NZ-CD 3.3Å; K209-E310 IonicContact NZ-OE1 2.78Å; K209-E310 PolarHBondContact NZ-OE1 3.31Å
210H96.7Very high97.5Very high75 Ų7531.8 Ų31.835%0.34715%0.153SC..Hα-helixtrans-90.8-21.3-175.3-74.4-80.2000114.3A206 L207 N208 E310 F313A206-H210 PolarHBondContact O-CD2 3.27Å; A206-H210 PolarHBondContact O-N 2.77Å; L207-H210 PolarHBondContact O-N 3.11Å; N208-H210 PolarHBondContact O-N 2.91Å; H210-E310 IonicContact CD2-OE2 3.1Å; H210-E310 IonicContact CE1-OE2 2.74Å; H210-E310 IonicContact NE2-OE1 3.2Å; H210-E310 IonicContact NE2-OE2 3.1Å; H210-E310 PolarHBondContact NE2-OE2 3.37Å; H210-F313 AromaticContact CD2-CD1 3.86Å; H210-F313 AromaticContact CD2-CE1 3.8Å; H210-F313 AromaticContact CG-CE1 3.99Å; H210-F313 AromaticContact NE2-CD1 3.76Å; H210-F313 AromaticContact NE2-CE1 3.99Å
211K96.9Very high97.5Very high18 Ų1831.8 Ų31.88%0.07815%0.153CC..Hα-helixtrans-128.8-9.5-165.7-57.5-65.3-168.4172.30115.9E154 L207 E213 Q214 G215 L216E154-K211 WeakPolarHBondContact OE1-CE 3.28Å; E154-K211 IonicContact OE1-NZ 2.65Å; E154-K211 PolarHBondContact OE1-NZ 2.8Å; E154-K211 IonicContact OE2-NZ 2.73Å; E154-K211 PolarHBondContact OE2-NZ 3.13Å; L207-K211 HydrophobicContact CD2-CG 4.3Å; L207-K211 WeakPolarHBondContact O-CA 3.16Å; L207-K211 WeakPolarHBondContact O-CB 3.03Å; L207-K211 PolarHBondContact O-N 3.23Å; K211-E213 VanDerWaalsContact C-N 3.28Å; K211-E213 PolarHBondContact O-N 2.75Å; K211-Q214 CarbonylContact O-C 3.5Å; K211-Q214 WeakPolarHBondContact O-CA 3.49Å; K211-Q214 WeakPolarHBondContact O-CB 3.45Å; K211-Q214 PolarHBondContact O-N 2.93Å; K211-G215 PolarHBondContact O-N 2.86Å; K211-L216 CarbonylContact C-O 3.59Å; K211-L216 HydrophobicContact CB-CB 3.99Å; K211-L216 HydrophobicContact CB-CD2 4.13Å; K211-L216 HydrophobicContact CB-CG 4.34Å; K211-L216 HydrophobicContact CG-CD2 4.33Å; K211-L216 PolarHBondContact O-N 3.41Å
212N95.9Very high97.4Very high49 Ų4931.6 Ų31.626%0.26215%0.152SC..G310 helixtrans-58.7-38.8178.6-81.3-4000112.7N208 Q214 G215 L216 F217N208-N212 WeakPolarHBondContact CA-OD1 3.21Å; N208-N212 WeakPolarHBondContact O-CB 3.34Å; N208-N212 PolarHBondContact O-N 3.44Å; N208-N212 PolarHBondContact O-ND2 3.13Å; N208-N212 PolarHBondContact O-OD1 3.49Å; N208-N212 PolarHBondContact OD1-OD1 2.99Å; N208-N212 VanDerWaalsContact OD1-OD1 3.11Å; N212-Q214 PolarHBondContact O-N 3.18Å; N212-G215 PolarHBondContact O-N 3.35Å; N212-L216 PolarHBondContact OD1-O 3.34Å; N212-L216 VanDerWaalsContact OD1-O 3.11Å; N212-F217 HydrophobicContact CB-CE1 4.2Å; N212-F217 VanDerWaalsContact OD1-CD1 3.29Å; N212-F217 WeakPolarHBondContact OD1-CD1 3.38Å
213E94.5Very high97.1Very high201 Ų20132.2 Ų32.294%0.93916%0.156SC*.G310 helixtrans-63.2-20.8176-65.3-177.2171.800113K211K211-E213 VanDerWaalsContact C-N 3.28Å; K211-E213 PolarHBondContact O-N 2.75Å
214Q95.7Very high96.5Very high88 Ų8833 Ų3341%0.41117%0.165SC..G310 helixtrans-93.97.5176.4-60.3168.336.500112.4C158 K211 N212C158-Q214 WeakPolarHBondContact CA-O 3.47Å; C158-Q214 HydrophobicContact CB-CB 3.95Å; K211-Q214 CarbonylContact O-C 3.5Å; K211-Q214 WeakPolarHBondContact O-CA 3.49Å; K211-Q214 WeakPolarHBondContact O-CB 3.45Å; K211-Q214 PolarHBondContact O-N 2.93Å; N212-Q214 PolarHBondContact O-N 3.18Å
215G96.2Very high95.7Very high14 Ų1434.7 Ų34.714%0.14417%0.173CC..THydrogen-bonded Turntrans83.18.1178.500000115.1T163 S164 K211 N212T163-G215 WeakPolarHBondContact CA-O 3.31Å; S164-G215 PolarHBondContact N-O 3.08Å; K211-G215 PolarHBondContact O-N 2.86Å; N212-G215 PolarHBondContact O-N 3.35Å
216L98.1Very high94.8Very high2 Ų234.1 Ų34.11%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-103.8115.3179.9179.362.5000111.2L157 L166 K211 N212L157-L216 HydrophobicContact CB-CD1 3.99Å; L157-L216 HydrophobicContact CB-CD2 4.23Å; L157-L216 HydrophobicContact CD1-CD2 4.47Å; L157-L216 HydrophobicContact CD2-CD1 4.24Å; L157-L216 HydrophobicContact CG-CD1 4.48Å; L166-L216 HydrophobicContact CD1-CD1 4.19Å; L166-L216 HydrophobicContact CD1-CD2 4.1Å; L166-L216 HydrophobicContact CD1-CG 4.24Å; L166-L216 HydrophobicContact CD2-CD1 3.93Å; L166-L216 HydrophobicContact CG-CD1 3.66Å; L166-L216 HydrophobicContact CG-CD2 4.46Å; L166-L216 HydrophobicContact CG-CG 4.21Å; K211-L216 CarbonylContact C-O 3.59Å; K211-L216 HydrophobicContact CB-CB 3.99Å; K211-L216 HydrophobicContact CB-CD2 4.13Å; K211-L216 HydrophobicContact CB-CG 4.34Å; K211-L216 HydrophobicContact CG-CD2 4.33Å; K211-L216 PolarHBondContact O-N 3.41Å; N212-L216 PolarHBondContact OD1-O 3.34Å; N212-L216 VanDerWaalsContact OD1-O 3.11Å
217F98.4Very high93.4Very high31 Ų3134.7 Ų34.714%0.13617%0.174CC..EExtended strand (participates in β ladder)trans-111.9139.2-178.8-64.3-97.3000111.2T163 S164 R165 L166 N212 P276 E277T163-F217 HydrophobicContact CG2-CD2 3.73Å; T163-F217 HydrophobicContact CG2-CE2 3.85Å; S164-F217 PolarHBondContact O-N 2.63Å; R165-F217 CarbonylContact C-O 3.51Å; R165-F217 WeakPolarHBondContact CA-O 3.17Å; L166-F217 PolarHBondContact N-O 3.45Å; N212-F217 HydrophobicContact CB-CE1 4.2Å; N212-F217 VanDerWaalsContact OD1-CD1 3.29Å; N212-F217 WeakPolarHBondContact OD1-CD1 3.38Å; F217-P276 HydrophobicContact CB-CB 3.59Å; F217-P276 HydrophobicContact CB-CG 4.45Å; F217-P276 HydrophobicContact CD1-CB 4.02Å; F217-P276 HydrophobicContact CD2-CB 3.94Å; F217-P276 HydrophobicContact CD2-CG 3.97Å; F217-P276 HydrophobicContact CE2-CG 4.39Å; F217-P276 HydrophobicContact CG-CB 3.59Å; F217-P276 HydrophobicContact CG-CG 4.15Å; F217-E277 HydrophobicContact CE1-CG 4.26Å; F217-E277 HydrophobicContact CZ-CG 3.96Å
218S98.6Very high91.7Very high4 Ų435.6 Ų35.63%0.02818%0.179CC..EExtended strand (participates in β ladder)trans-117.4135.6-178-169.60000111.6L166 W168 S204 N208L166-S218 CarbonylContact O-C 3.58Å; L166-S218 WeakPolarHBondContact O-CA 3.23Å; W168-S218 VanDerWaalsContact CD1-OG 3.26Å; W168-S218 PolarHBondContact NE1-OG 3.36Å; S204-S218 WeakPolarHBondContact CA-OG 3.21Å; S204-S218 WeakPolarHBondContact CB-OG 3.4Å; S204-S218 WeakPolarHBondContact OG-CB 3.41Å; S204-S218 PolarHBondContact OG-OG 3.26Å; N208-S218 PolarHBondContact ND2-O 3.23Å; N208-S218 PolarHBondContact OD1-N 3.22Å; N208-S218 PolarHBondContact OD1-O 3.03Å
219S98.6Very high89.8Confident10 Ų1040.8 Ų40.87%0.0721%0.207CC..EExtended strand (participates in β ladder)trans-135152.2178.5-590000111.1L166 V167 W168 L279L166-S219 PolarHBondContact O-N 2.74Å; V167-S219 WeakPolarHBondContact CA-O 3.41Å; W168-S219 PolarHBondContact N-O 2.87Å; S219-L279 WeakPolarHBondContact OG-CD1 3.22Å
220V98.4Very high88Confident1 Ų137.4 Ų37.41%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-118.9134.9-176-173.30000110.6W168 D201 S204 K284 Y285 M302W168-V220 HydrophobicContact CB-CG2 4.44Å; D201-V220 VanDerWaalsContact OD1-CG1 3.26Å; D201-V220 WeakPolarHBondContact OD1-CG1 3.45Å; S204-V220 VanDerWaalsContact OG-CG2 3.31Å; S204-V220 WeakPolarHBondContact OG-CG2 3.19Å; V220-K284 HydrophobicContact CB-CG 4.47Å; V220-K284 HydrophobicContact CG1-CD 4.31Å; V220-K284 HydrophobicContact CG1-CG 3.98Å; V220-K284 WeakPolarHBondContact O-CA 3.35Å; V220-Y285 PolarHBondContact O-N 2.92Å; V220-M302 HydrophobicContact CB-SD 4.14Å; V220-M302 HydrophobicContact CG1-SD 4.31Å; V220-M302 HydrophobicContact CG2-CE 4.2Å; V220-M302 HydrophobicContact CG2-SD 4.05Å
221V98Very high86.1Confident0 Ų034.7 Ų34.70%018%0.184CC..EExtended strand (participates in β ladder)trans-116.8143.4176.1169.90000111.8V167 W168 S170 A267 L268 L271 Y285V167-V221 HydrophobicContact CG1-CG2 4.17Å; W168-V221 PolarHBondContact O-N 3.46Å; S170-V221 CarbonylContact C-O 3.13Å; S170-V221 WeakPolarHBondContact CA-O 3.48Å; S170-V221 WeakPolarHBondContact CB-O 3.29Å; S170-V221 PolarHBondContact N-O 2.96Å; V221-A267 HydrophobicContact CB-CB 4.42Å; V221-A267 HydrophobicContact CG1-CB 3.62Å; V221-A267 HydrophobicContact CG2-CB 3.96Å; V221-L268 HydrophobicContact CB-CD2 3.78Å; V221-L268 HydrophobicContact CB-CG 4.31Å; V221-L268 HydrophobicContact CG1-CD2 4.04Å; V221-L268 HydrophobicContact CG1-CG 4.02Å; V221-L268 HydrophobicContact CG2-CD2 3.8Å; V221-L268 HydrophobicContact CG2-CG 4.36Å; V221-L271 HydrophobicContact CG2-CD1 3.36Å; V221-L271 HydrophobicContact CG2-CG 4.37Å; V221-Y285 CarbonylContact C-O 3.55Å; V221-Y285 VanDerWaalsContact CA-O 3.22Å; V221-Y285 WeakPolarHBondContact CA-O 3.37Å
222C95.9Very high84.2Confident1 Ų139.5 Ų39.51%0.00720%0.203CC..EExtended strand (participates in β ladder)trans-106.9118.2160.2179.40000109.3S172 G224 K284 Y285 H286 S287S172-C222 PolarHBondContact N-SG 3.41Å; C222-G224 PolarHBondContact O-N 3.43Å; C222-K284 HydrophobicContact CB-CD 3.85Å; C222-K284 HydrophobicContact CB-CG 4.09Å; C222-Y285 PolarHBondContact N-O 3.17Å; C222-H286 WeakPolarHBondContact CB-CD2 3.41Å; C222-H286 CarbonylContact O-C 3.57Å; C222-H286 WeakPolarHBondContact O-CA 3.34Å; C222-S287 PolarHBondContact O-N 3.36Å
223P92.4Very high82.4Confident13 Ų1340.1 Ų40.18%0.08422%0.221CC..  trans-77-0.9-17832.2-36.5000114.1I14 T169 S170 V226 T258 G264I14-P223 HydrophobicContact CD1-CB 3.57Å; I14-P223 HydrophobicContact CD1-CG 3.74Å; I14-P223 HydrophobicContact CG1-CB 4.48Å; T169-P223 HydrophobicContact CG2-CG 4.16Å; S170-P223 WeakPolarHBondContact O-CD 3.25Å; P223-V226 HydrophobicContact CB-CG2 4.02Å; P223-V226 WeakPolarHBondContact O-CG2 3.4Å; P223-T258 WeakPolarHBondContact O-CG2 3.47Å; P223-T258 PolarHBondContact O-OG1 3.31Å; P223-G264 WeakPolarHBondContact CA-O 3.1Å; P223-G264 WeakPolarHBondContact CB-O 3.29Å; P223-G264 WeakPolarHBondContact O-CA 3.48Å
224G85.6Confident80.9Confident17 Ų1732.3 Ų32.318%0.17519%0.185CC..  trans71.3-165.4-169.800000112.7C222 V226 T256C222-G224 PolarHBondContact O-N 3.43Å; G224-V226 PolarHBondContact O-N 2.79Å; G224-T256 CarbonylContact C-O 3.54Å; G224-T256 VanDerWaalsContact CA-O 3.3Å; G224-T256 WeakPolarHBondContact CA-O 3.49Å
225L81.6Confident79.4Confident35 Ų3529.7 Ų29.718%0.18317%0.173CC..SBendtrans-83.895.5176.1-172.673000110.1F117 M227 M247 T256 F257 T258 L259F117-L225 WeakPolarHBondContact O-CD2 3.34Å; L225-M227 HydrophobicContact CD2-CE 4.25Å; L225-M227 HydrophobicContact CG-CE 4.01Å; L225-M247 HydrophobicContact CD2-CE 3.46Å; L225-M247 VanDerWaalsContact CD2-CE 3.46Å; L225-M247 HydrophobicContact CG-CE 4.5Å; L225-T256 PolarHBondContact N-O 3.18Å; L225-F257 HydrophobicContact CD2-CD1 3.66Å; L225-F257 HydrophobicContact CD2-CE1 3.4Å; L225-F257 VanDerWaalsContact CD2-CE1 3.4Å; L225-F257 HydrophobicContact CD2-CG 4.35Å; L225-F257 HydrophobicContact CD2-CZ 3.89Å; L225-T258 PolarHBondContact O-N 3.5Å; L225-T258 PolarHBondContact O-OG1 3.15Å; L225-L259 PolarHBondContact O-N 2.84Å
226V78.6Confident78.1Confident7 Ų732.7 Ų32.74%0.04219%0.191CC..BIsolated β-bridgetrans-98.6133.1179.3-174.20000110I14 P223 G224 T228 T231 T258 P261I14-V226 HydrophobicContact CD1-CB 4.29Å; I14-V226 HydrophobicContact CD1-CG1 4.45Å; I14-V226 HydrophobicContact CD1-CG2 3.93Å; I14-V226 HydrophobicContact CG1-CB 4.46Å; I14-V226 HydrophobicContact CG1-CG1 4.11Å; I14-V226 HydrophobicContact CG1-CG2 4.16Å; P223-V226 HydrophobicContact CB-CG2 4.02Å; P223-V226 WeakPolarHBondContact O-CG2 3.4Å; G224-V226 PolarHBondContact O-N 2.79Å; V226-T228 HydrophobicContact CB-CG2 3.97Å; V226-T228 HydrophobicContact CG1-CG2 3.47Å; V226-T228 VanDerWaalsContact CG1-CG2 3.47Å; V226-T228 PolarHBondContact O-N 3.38Å; V226-T228 VanDerWaalsContact O-N 3.08Å; V226-T231 VanDerWaalsContact O-CG2 3.25Å; V226-T231 WeakPolarHBondContact O-CG2 3.47Å; V226-T231 PolarHBondContact O-OG1 3.22Å; V226-T258 VanDerWaalsContact CG2-OG1 3.22Å; V226-T258 WeakPolarHBondContact CG2-OG1 3.16Å; V226-P261 HydrophobicContact CG1-CB 4.32Å; V226-P261 HydrophobicContact CG1-CG 4.07Å
227M70.2Confident76.8Confident11 Ų1137.3 Ų37.35%0.05422%0.223CC..  trans-72.6103.6168.3-61.6-64101.400109.5L225 T231 Y232 W240 M244 M247 L259L225-M227 HydrophobicContact CD2-CE 4.25Å; L225-M227 HydrophobicContact CG-CE 4.01Å; M227-T231 WeakPolarHBondContact CA-OG1 3.34Å; M227-Y232 HydrophobicContact CB-CE2 4.27Å; M227-W240 HydrophobicContact CE-CH2 4.2Å; M227-W240 HydrophobicContact CE-CZ3 3.91Å; M227-W240 HydrophobicContact SD-CE3 3.83Å; M227-W240 HydrophobicContact SD-CH2 4.13Å; M227-W240 HydrophobicContact SD-CZ3 3.59Å; M227-W240 VanDerWaalsContact SD-CZ3 3.59Å; M227-M244 HydrophobicContact CG-SD 4.48Å; M227-M247 HydrophobicContact CE-CE 3.75Å; M227-L259 WeakPolarHBondContact CB-O 3.49Å; M227-L259 WeakPolarHBondContact CG-O 3.25Å; M227-L259 PolarHBondContact N-O 2.94Å
228T61.8Low75.6Confident21 Ų2142 Ų4213%0.12924%0.243CC..SBendtrans-129.8173.8176.664.90000109.9I14 V226 L230 T231 Y232I14-T228 HydrophobicContact CG1-CG2 4.47Å; V226-T228 HydrophobicContact CB-CG2 3.97Å; V226-T228 HydrophobicContact CG1-CG2 3.47Å; V226-T228 VanDerWaalsContact CG1-CG2 3.47Å; V226-T228 PolarHBondContact O-N 3.38Å; V226-T228 VanDerWaalsContact O-N 3.08Å; T228-L230 PolarHBondContact O-N 2.72Å; T228-L230 VanDerWaalsContact O-N 3.07Å; T228-L230 PolarHBondContact OG1-N 3.11Å; T228-T231 PolarHBondContact N-OG1 2.85Å; T228-T231 PolarHBondContact O-N 2.88Å; T228-T231 PolarHBondContact O-OG1 3.12Å; T228-Y232 WeakPolarHBondContact O-CD2 3.26Å; T228-Y232 PolarHBondContact O-N 3.25Å
229N56.8Low74.3Confident117 Ų11745 Ų4563%0.62626%0.256SS*.Hα-helixtrans-56-25.3172.6-66.4-19.7000112.9T231N229-T231 VanDerWaalsContact C-N 3.34Å
230L59.3Low73Confident70 Ų7045.9 Ų45.937%0.36626%0.258SS..Hα-helixtrans-69.7-29.8175.1-63.4172.1000112.6M94 T228M94-L230 HydrophobicContact CB-CD2 4.17Å; T228-L230 PolarHBondContact O-N 2.72Å; T228-L230 VanDerWaalsContact O-N 3.07Å; T228-L230 PolarHBondContact OG1-N 3.11Å
231T57.8Low72Confident18 Ų1851 Ų5111%0.1129%0.29CS..Hα-helixtrans-93.7-35.4179.859.40000112.5V226 M227 T228 N229 G233 I234 W240V226-T231 VanDerWaalsContact O-CG2 3.25Å; V226-T231 WeakPolarHBondContact O-CG2 3.47Å; V226-T231 PolarHBondContact O-OG1 3.22Å; M227-T231 WeakPolarHBondContact CA-OG1 3.34Å; T228-T231 PolarHBondContact N-OG1 2.85Å; T228-T231 PolarHBondContact O-N 2.88Å; T228-T231 PolarHBondContact O-OG1 3.12Å; N229-T231 VanDerWaalsContact C-N 3.34Å; T231-G233 PolarHBondContact O-N 2.96Å; T231-I234 VanDerWaalsContact O-CB 3.29Å; T231-I234 WeakPolarHBondContact O-CB 3.4Å; T231-I234 VanDerWaalsContact O-CG1 3.29Å; T231-I234 WeakPolarHBondContact O-CG1 3.45Å; T231-I234 PolarHBondContact O-N 3.03Å; T231-W240 VanDerWaalsContact O-CZ2 3.23Å; T231-W240 WeakPolarHBondContact O-CZ2 3.44Å
232Y57Low70.9Confident120 Ų12056.7 Ų56.747%0.47132%0.319SS..Hα-helixtrans-59.3-30.2179.9-79.2-63.1000113.1M227 T228 I234 L235 W240M227-Y232 HydrophobicContact CB-CE2 4.27Å; T228-Y232 WeakPolarHBondContact O-CD2 3.26Å; T228-Y232 PolarHBondContact O-N 3.25Å; Y232-I234 PolarHBondContact O-N 3.13Å; Y232-L235 VanDerWaalsContact O-O 3.14Å; Y232-W240 HydrophobicContact CD1-CG 4.4Å; Y232-W240 PolarHBondContact O-NE1 3.31Å
233G57.9Low70Confident62 Ų6257.6 Ų57.664%0.63932%0.324SS*.THydrogen-bonded Turntrans-69.4-7.8176.800000115.3T231T231-G233 PolarHBondContact O-N 2.96Å
234I62.5Low69.2Low37 Ų3759.7 Ų59.719%0.1933%0.333CS..THydrogen-bonded Turntrans-81.3-36.4-175.1-58.1172.3000112.1M94 P97 V99 L124 T231 Y232 W240M94-I234 HydrophobicContact CE-CD1 4.21Å; P97-I234 HydrophobicContact CB-CG1 4.25Å; P97-I234 HydrophobicContact CG-CG1 3.68Å; V99-I234 HydrophobicContact CG2-CG2 3.44Å; V99-I234 VanDerWaalsContact CG2-CG2 3.44Å; V99-I234 WeakPolarHBondContact CG2-O 3.49Å; L124-I234 HydrophobicContact CD1-CD1 4.34Å; L124-I234 HydrophobicContact CD2-CG2 4.12Å; T231-I234 VanDerWaalsContact O-CB 3.29Å; T231-I234 WeakPolarHBondContact O-CB 3.4Å; T231-I234 VanDerWaalsContact O-CG1 3.29Å; T231-I234 WeakPolarHBondContact O-CG1 3.45Å; T231-I234 PolarHBondContact O-N 3.03Å; Y232-I234 PolarHBondContact O-N 3.13Å; I234-W240 HydrophobicContact CB-CZ2 4.44Å
235L64Low68.9Low32 Ų3263.1 Ų63.117%0.16835%0.352CS..SBendtrans-135.2151.8-176.6-69.2173.4000111.5Y232 F239 W240 I243Y232-L235 VanDerWaalsContact O-O 3.14Å; L235-F239 HydrophobicContact CB-CB 4.29Å; L235-W240 HydrophobicContact CB-CZ2 4.21Å; L235-W240 HydrophobicContact CD1-CZ2 4.33Å; L235-W240 HydrophobicContact CG-CZ2 4.47Å; L235-W240 PolarHBondContact O-NE1 2.81Å; L235-W240 VanDerWaalsContact O-NE1 3.13Å; L235-I243 HydrophobicContact CD1-CD1 3.84Å
236P69Low68.7Low78 Ų7866.1 Ų66.151%0.50636%0.364SS..  trans-56145.8173.4-23.333.1000112.5F238 F239 W240P236-F238 HydrophobicContact CB-CD1 4.38Å; P236-F238 PolarHBondContact O-N 3.19Å; P236-F238 VanDerWaalsContact O-N 3.11Å; P236-F239 HydrophobicContact CB-CD2 4.35Å; P236-F239 HydrophobicContact CG-CD2 4.18Å; P236-F239 WeakPolarHBondContact O-CB 3.41Å; P236-F239 PolarHBondContact O-N 3.37Å; P236-W240 PolarHBondContact O-N 3.37Å
237S71.1Confident68.5Low99 Ų9966 Ų6669%0.69236%0.363SS*.Hα-helixtrans-56.5-33.2-174-500000114.4F239 W240 T241S237-F239 VanDerWaalsContact C-N 3.35Å; S237-W240 PolarHBondContact O-N 2.75Å; S237-T241 PolarHBondContact O-N 2.98Å; S237-T241 PolarHBondContact O-OG1 3.39Å
238F73.1Confident68.7Low129 Ų12972.4 Ų72.457%0.56639%0.387SS*.Hα-helixtrans-68.2-34.7177.4106.4-96.4000112.1P236 W240 T241 L242P236-F238 HydrophobicContact CB-CD1 4.38Å; P236-F238 PolarHBondContact O-N 3.19Å; P236-F238 VanDerWaalsContact O-N 3.11Å; F238-W240 VanDerWaalsContact C-N 3.34Å; F238-W240 PolarHBondContact O-N 2.57Å; F238-T241 WeakPolarHBondContact O-CB 3.34Å; F238-T241 PolarHBondContact O-N 3.45Å; F238-L242 PolarHBondContact O-N 2.68Å
239F71.4Confident69.4Low68 Ų6876.1 Ų76.130%0.29841%0.405SS..Hα-helixtrans-64.3-41.2177.4-98-80.3000110.7L235 P236 S237 T241 L242 I243L235-F239 HydrophobicContact CB-CB 4.29Å; P236-F239 HydrophobicContact CB-CD2 4.35Å; P236-F239 HydrophobicContact CG-CD2 4.18Å; P236-F239 WeakPolarHBondContact O-CB 3.41Å; P236-F239 PolarHBondContact O-N 3.37Å; S237-F239 VanDerWaalsContact C-N 3.35Å; F239-T241 VanDerWaalsContact C-N 3.31Å; F239-T241 PolarHBondContact O-N 3.37Å; F239-L242 PolarHBondContact O-N 3.23Å; F239-L242 VanDerWaalsContact O-N 3.16Å; F239-I243 HydrophobicContact CB-CD1 4.21Å; F239-I243 HydrophobicContact CD1-CD1 4.13Å; F239-I243 VanDerWaalsContact O-CD1 3.3Å; F239-I243 WeakPolarHBondContact O-CD1 3.34Å; F239-I243 WeakPolarHBondContact O-CG1 3.4Å; F239-I243 PolarHBondContact O-N 2.89Å
240W70.9Confident70.2Confident28 Ų2871.1 Ų71.111%0.10638%0.378CS..Hα-helixtrans-57-46.2173.9-72.1110.9000111.6M227 T231 Y232 I234 L235 P236 S237 F238 L242 I243 M244 M247M227-W240 HydrophobicContact CE-CH2 4.2Å; M227-W240 HydrophobicContact CE-CZ3 3.91Å; M227-W240 HydrophobicContact SD-CE3 3.83Å; M227-W240 HydrophobicContact SD-CH2 4.13Å; M227-W240 HydrophobicContact SD-CZ3 3.59Å; M227-W240 VanDerWaalsContact SD-CZ3 3.59Å; T231-W240 VanDerWaalsContact O-CZ2 3.23Å; T231-W240 WeakPolarHBondContact O-CZ2 3.44Å; Y232-W240 HydrophobicContact CD1-CG 4.4Å; Y232-W240 PolarHBondContact O-NE1 3.31Å; I234-W240 HydrophobicContact CB-CZ2 4.44Å; L235-W240 HydrophobicContact CB-CZ2 4.21Å; L235-W240 HydrophobicContact CD1-CZ2 4.33Å; L235-W240 HydrophobicContact CG-CZ2 4.47Å; L235-W240 PolarHBondContact O-NE1 2.81Å; L235-W240 VanDerWaalsContact O-NE1 3.13Å; P236-W240 PolarHBondContact O-N 3.37Å; S237-W240 PolarHBondContact O-N 2.75Å; F238-W240 VanDerWaalsContact C-N 3.34Å; F238-W240 PolarHBondContact O-N 2.57Å; W240-L242 PolarHBondContact O-N 3.49Å; W240-I243 PolarHBondContact O-N 3.44Å; W240-M244 WeakPolarHBondContact O-CB 3.22Å; W240-M244 WeakPolarHBondContact O-CG 3.49Å; W240-M244 PolarHBondContact O-N 3.43Å; W240-M247 HydrophobicContact CE3-SD 4.4Å; W240-M247 HydrophobicContact CZ3-CE 4.33Å; W240-M247 HydrophobicContact CZ3-SD 4.04Å
241T76.3Confident71.1Confident109 Ų10968.1 Ų68.167%0.66936%0.362SS*.Hα-helixtrans-57.4-38.9178.2-50.40000112.3S237 F238 F239S237-T241 PolarHBondContact O-N 2.98Å; S237-T241 PolarHBondContact O-OG1 3.39Å; F238-T241 WeakPolarHBondContact O-CB 3.34Å; F238-T241 PolarHBondContact O-N 3.45Å; F239-T241 VanDerWaalsContact C-N 3.31Å; F239-T241 PolarHBondContact O-N 3.37Å
242L76.9Confident71.8Confident119 Ų11972.2 Ų72.262%0.62338%0.383SS*.Hα-helixtrans-71.9-39.9178.3-173.769.3000113F238 F239 W240F238-L242 PolarHBondContact O-N 2.68Å; F239-L242 PolarHBondContact O-N 3.23Å; F239-L242 VanDerWaalsContact O-N 3.16Å; W240-L242 PolarHBondContact O-N 3.49Å
243I75.2Confident72.6Confident19 Ų1973.9 Ų73.910%0.09739%0.393CS..Hα-helixtrans-84.1-22.1-172.8-54.9158.3000111.6F117 L235 F239 W240 F246 M247F117-I243 HydrophobicContact CE1-CG2 4.35Å; L235-I243 HydrophobicContact CD1-CD1 3.84Å; F239-I243 HydrophobicContact CB-CD1 4.21Å; F239-I243 HydrophobicContact CD1-CD1 4.13Å; F239-I243 VanDerWaalsContact O-CD1 3.3Å; F239-I243 WeakPolarHBondContact O-CD1 3.34Å; F239-I243 WeakPolarHBondContact O-CG1 3.4Å; F239-I243 PolarHBondContact O-N 2.89Å; W240-I243 PolarHBondContact O-N 3.44Å; I243-F246 CarbonylContact O-C 3.58Å; I243-F246 WeakPolarHBondContact O-CA 3.37Å; I243-F246 WeakPolarHBondContact O-CB 3.37Å; I243-F246 PolarHBondContact O-N 3.42Å; I243-M247 HydrophobicContact CG2-CG 3.9Å; I243-M247 HydrophobicContact CG2-SD 4.1Å; I243-M247 WeakPolarHBondContact O-CG 3.44Å; I243-M247 PolarHBondContact O-N 3.15Å
244M76.3Confident73.3Confident57 Ų5772 Ų7228%0.28137%0.368SS..Hα-helixtrans-58-46.9-174.6-82.8-65.6-75.700115.1M227 W240 F246 M247 W248M227-M244 HydrophobicContact CG-SD 4.48Å; W240-M244 WeakPolarHBondContact O-CB 3.22Å; W240-M244 WeakPolarHBondContact O-CG 3.49Å; W240-M244 PolarHBondContact O-N 3.43Å; M244-F246 PolarHBondContact O-N 2.87Å; M244-M247 PolarHBondContact O-N 3.35Å; M244-M247 VanDerWaalsContact O-N 3.15Å; M244-M247 HydrophobicContact SD-SD 4.13Å; M244-W248 PolarHBondContact O-N 3.39Å
245P79.9Confident74.1Confident90 Ų9072.7 Ų72.758%0.58437%0.372SS*.Hα-helixtrans-59.5-36175.1-23.834.3000112.4W248 L249P245-W248 PolarHBondContact O-N 2.99Å; P245-L249 PolarHBondContact O-N 3.3Å
246F77.1Confident74.7Confident97 Ų9772.2 Ų72.243%0.42537%0.371SS..Hα-helixtrans-70.1-37.6176.4-178.8-115.9000112F117 I243 M244 W248 L249 I250F117-F246 HydrophobicContact CE2-CE1 4.29Å; I243-F246 CarbonylContact O-C 3.58Å; I243-F246 WeakPolarHBondContact O-CA 3.37Å; I243-F246 WeakPolarHBondContact O-CB 3.37Å; I243-F246 PolarHBondContact O-N 3.42Å; M244-F246 PolarHBondContact O-N 2.87Å; F246-W248 VanDerWaalsContact C-N 3.34Å; F246-W248 PolarHBondContact O-N 3.12Å; F246-L249 PolarHBondContact O-N 3.5Å; F246-I250 HydrophobicContact CD1-CD1 3.38Å; F246-I250 HydrophobicContact CD1-CG1 4.2Å; F246-I250 HydrophobicContact CD2-CD1 4.4Å; F246-I250 HydrophobicContact CD2-CG1 4.38Å; F246-I250 HydrophobicContact CE1-CD1 3.06Å; F246-I250 HydrophobicContact CE1-CG1 3.91Å; F246-I250 HydrophobicContact CE2-CD1 4.13Å; F246-I250 HydrophobicContact CE2-CG1 4.06Å; F246-I250 HydrophobicContact CG-CD1 4.06Å; F246-I250 HydrophobicContact CG-CG1 4.44Å; F246-I250 HydrophobicContact CZ-CD1 3.46Å; F246-I250 VanDerWaalsContact CZ-CD1 3.46Å; F246-I250 HydrophobicContact CZ-CG1 3.81Å; F246-I250 WeakPolarHBondContact O-CB 3.2Å; F246-I250 VanDerWaalsContact O-CG1 3.31Å; F246-I250 WeakPolarHBondContact O-CG1 3.33Å; F246-I250 PolarHBondContact O-N 3.21Å
247M74.4Confident75.2Confident4 Ų468.5 Ų68.52%0.0235%0.347CS..Hα-helixtrans-64-38.4173.6-68.9174.876.800112.3L225 M227 W240 I243 M244 L249 I250 R251 F257 L259L225-M247 HydrophobicContact CD2-CE 3.46Å; L225-M247 VanDerWaalsContact CD2-CE 3.46Å; L225-M247 HydrophobicContact CG-CE 4.5Å; M227-M247 HydrophobicContact CE-CE 3.75Å; W240-M247 HydrophobicContact CE3-SD 4.4Å; W240-M247 HydrophobicContact CZ3-CE 4.33Å; W240-M247 HydrophobicContact CZ3-SD 4.04Å; I243-M247 HydrophobicContact CG2-CG 3.9Å; I243-M247 HydrophobicContact CG2-SD 4.1Å; I243-M247 WeakPolarHBondContact O-CG 3.44Å; I243-M247 PolarHBondContact O-N 3.15Å; M244-M247 PolarHBondContact O-N 3.35Å; M244-M247 VanDerWaalsContact O-N 3.15Å; M244-M247 HydrophobicContact SD-SD 4.13Å; M247-L249 VanDerWaalsContact C-N 3.35Å; M247-I250 PolarHBondContact O-N 2.96Å; M247-R251 PolarHBondContact O-N 3.37Å; M247-R251 VanDerWaalsContact O-N 3.08Å; M247-F257 HydrophobicContact CB-CD1 4.1Å; M247-F257 HydrophobicContact CB-CE1 4.31Å; M247-F257 HydrophobicContact CE-CD1 3.64Å; M247-F257 HydrophobicContact CE-CE1 3.59Å; M247-F257 HydrophobicContact CG-CD1 4.32Å; M247-F257 HydrophobicContact CG-CE1 4.08Å; M247-L259 HydrophobicContact CB-CD2 4.3Å; M247-L259 HydrophobicContact CE-CD2 3.7Å
248W75.1Confident75.5Confident146 Ų14663.8 Ų63.855%0.55331%0.314SS*.Hα-helixtrans-63.2-41.4172.3-85.669.5000111.8M244 P245 F246 R251 L259M244-W248 PolarHBondContact O-N 3.39Å; P245-W248 PolarHBondContact O-N 2.99Å; F246-W248 VanDerWaalsContact C-N 3.34Å; F246-W248 PolarHBondContact O-N 3.12Å; W248-R251 VanDerWaalsContact O-CB 3.29Å; W248-R251 WeakPolarHBondContact O-CB 3.26Å; W248-R251 PolarHBondContact O-N 2.92Å; W248-L259 HydrophobicContact CD2-CD1 4.43Å; W248-L259 HydrophobicContact CG-CD1 4.14Å
249L76.1Confident75.9Confident100 Ų10058 Ų5852%0.52429%0.289SS..Hα-helixtrans-67.6-43.1176.5-169.272.4000112.2P245 F246 M247 R251 I252P245-L249 PolarHBondContact O-N 3.3Å; F246-L249 PolarHBondContact O-N 3.5Å; M247-L249 VanDerWaalsContact C-N 3.35Å; L249-R251 PolarHBondContact O-N 3.15Å; L249-I252 HydrophobicContact CD1-CD1 4.03Å; L249-I252 WeakPolarHBondContact O-CB 3.31Å; L249-I252 WeakPolarHBondContact O-CG1 3.28Å; L249-I252 PolarHBondContact O-N 3.45Å; L249-I252 VanDerWaalsContact O-N 3.13Å
250I73.9Confident76.7Confident11 Ų1157.5 Ų57.56%0.05629%0.292CS..Hα-helixtrans-58.8-29.6174.6-74.3166.3000110.8I114 F246 M247 I252 F253 T254 F257I114-I250 HydrophobicContact CG2-CG2 4.49Å; F246-I250 HydrophobicContact CD1-CD1 3.38Å; F246-I250 HydrophobicContact CD1-CG1 4.2Å; F246-I250 HydrophobicContact CD2-CD1 4.4Å; F246-I250 HydrophobicContact CD2-CG1 4.38Å; F246-I250 HydrophobicContact CE1-CD1 3.06Å; F246-I250 HydrophobicContact CE1-CG1 3.91Å; F246-I250 HydrophobicContact CE2-CD1 4.13Å; F246-I250 HydrophobicContact CE2-CG1 4.06Å; F246-I250 HydrophobicContact CG-CD1 4.06Å; F246-I250 HydrophobicContact CG-CG1 4.44Å; F246-I250 HydrophobicContact CZ-CD1 3.46Å; F246-I250 VanDerWaalsContact CZ-CD1 3.46Å; F246-I250 HydrophobicContact CZ-CG1 3.81Å; F246-I250 WeakPolarHBondContact O-CB 3.2Å; F246-I250 VanDerWaalsContact O-CG1 3.31Å; F246-I250 WeakPolarHBondContact O-CG1 3.33Å; F246-I250 PolarHBondContact O-N 3.21Å; M247-I250 PolarHBondContact O-N 2.96Å; I250-I252 PolarHBondContact O-N 3.33Å; I250-F253 WeakPolarHBondContact O-CA 3.47Å; I250-F253 PolarHBondContact O-N 3.13Å; I250-T254 HydrophobicContact CG2-CG2 3.32Å; I250-T254 PolarHBondContact O-N 3.26Å; I250-F257 HydrophobicContact CG2-CE2 4.22Å; I250-F257 HydrophobicContact CG2-CZ 4.26Å
251R77.1Confident77.7Confident7 Ų758 Ų583%0.02630%0.298CS..THydrogen-bonded Turntrans-59.2-21.1178.5-159.8170.189.9-169.4-1.6113.7M247 W248 L249 F253 T254 N255 F257 T289 S290M247-R251 PolarHBondContact O-N 3.37Å; M247-R251 VanDerWaalsContact O-N 3.08Å; W248-R251 VanDerWaalsContact O-CB 3.29Å; W248-R251 WeakPolarHBondContact O-CB 3.26Å; W248-R251 PolarHBondContact O-N 2.92Å; L249-R251 PolarHBondContact O-N 3.15Å; R251-F253 PolarHBondContact O-N 3.15Å; R251-T254 VanDerWaalsContact CA-O 3.32Å; R251-T254 WeakPolarHBondContact CA-O 3.3Å; R251-N255 PolarHBondContact O-OD1 3.37Å; R251-F257 HydrophobicContact CB-CB 4.46Å; R251-F257 WeakPolarHBondContact CD-O 3.26Å; R251-F257 HydrophobicContact CG-CB 4.21Å; R251-T289 WeakPolarHBondContact CD-O 3.39Å; R251-T289 WeakPolarHBondContact CG-O 3.22Å; R251-T289 VanDerWaalsContact NH1-CG2 3.29Å; R251-S290 PolarHBondContact NE-O 3.42Å; R251-S290 PolarHBondContact NH2-O 3.34Å
252I72.6Confident78.5Confident105 Ų10558.5 Ų58.554%0.53829%0.289SS..THydrogen-bonded Turntrans-63.4-32.2171.4-60.7173.8000111.3L249 I250L249-I252 HydrophobicContact CD1-CD1 4.03Å; L249-I252 WeakPolarHBondContact O-CB 3.31Å; L249-I252 WeakPolarHBondContact O-CG1 3.28Å; L249-I252 PolarHBondContact O-N 3.45Å; L249-I252 VanDerWaalsContact O-N 3.13Å; I250-I252 PolarHBondContact O-N 3.33Å
253F73.6Confident79.3Confident155 Ų15554 Ų5468%0.6827%0.265SS*.THydrogen-bonded Turntrans-101.2-19.5-176.3-56-75.3000113.4I250 R251I250-F253 WeakPolarHBondContact O-CA 3.47Å; I250-F253 PolarHBondContact O-N 3.13Å; R251-F253 PolarHBondContact O-N 3.15Å
254T72.9Confident80.1Confident22 Ų2253 Ų5314%0.13526%0.26CS..  trans-143.1124.1174.3172.50000112.2I114 I250 R251 T256 F257I114-T254 HydrophobicContact CG2-CG2 3.65Å; I250-T254 HydrophobicContact CG2-CG2 3.32Å; I250-T254 PolarHBondContact O-N 3.26Å; R251-T254 VanDerWaalsContact CA-O 3.32Å; R251-T254 WeakPolarHBondContact CA-O 3.3Å; T254-T256 VanDerWaalsContact C-N 3.28Å; T254-T256 PolarHBondContact O-N 3.47Å; T254-T256 PolarHBondContact OG1-N 3.49Å; T254-T256 PolarHBondContact OG1-OG1 3.36Å; T254-F257 HydrophobicContact CG2-CD2 3.56Å; T254-F257 HydrophobicContact CG2-CE2 3.48Å; T254-F257 VanDerWaalsContact CG2-CE2 3.48Å
255N79.4Confident81.1Confident51 Ų5150.3 Ų50.327%0.27325%0.247SC..THydrogen-bonded Turntrans-85.43.1-176.1-59.6-31.5000113.3R251 F257 L288 T289 Y296R251-N255 PolarHBondContact O-OD1 3.37Å; N255-F257 PolarHBondContact O-N 3.5Å; N255-L288 HydrophobicContact CB-CB 4.13Å; N255-L288 HydrophobicContact CB-CD2 4.49Å; N255-L288 CarbonylContact O-C 3.59Å; N255-L288 VanDerWaalsContact O-CA 3.24Å; N255-L288 WeakPolarHBondContact O-CA 3.3Å; N255-T289 WeakPolarHBondContact CA-O 3.41Å; N255-T289 WeakPolarHBondContact CB-O 3.14Å; N255-T289 PolarHBondContact O-N 3.16Å; N255-Y296 HydrophobicContact CB-CE1 4.11Å; N255-Y296 WeakPolarHBondContact CB-OH 3.34Å; N255-Y296 PolarHBondContact ND2-OH 3.17Å
256T76.3Confident82Confident22 Ų2247.3 Ų47.314%0.13523%0.225CC..THydrogen-bonded Turntrans-77.3-9.5-179.257.70000113.6G224 L225 T254 T258 L288G224-T256 CarbonylContact C-O 3.54Å; G224-T256 VanDerWaalsContact CA-O 3.3Å; G224-T256 WeakPolarHBondContact CA-O 3.49Å; L225-T256 PolarHBondContact N-O 3.18Å; T254-T256 VanDerWaalsContact C-N 3.28Å; T254-T256 PolarHBondContact O-N 3.47Å; T254-T256 PolarHBondContact OG1-N 3.49Å; T254-T256 PolarHBondContact OG1-OG1 3.36Å; T256-T258 PolarHBondContact O-N 3.13Å; T256-T258 VanDerWaalsContact O-N 3.08Å; T256-L288 HydrophobicContact CG2-CD2 3.78Å
257F79Confident82.9Confident0 Ų042.7 Ų42.70%021%0.205CC..  trans-84.179.4-179.4-75.1-115.6000110F117 A118 L225 M247 I250 R251 T254 N255 L259F117-F257 HydrophobicContact CB-CE1 4.35Å; F117-F257 HydrophobicContact CB-CZ 3.78Å; A118-F257 HydrophobicContact CB-CE2 4Å; L225-F257 HydrophobicContact CD2-CD1 3.66Å; L225-F257 HydrophobicContact CD2-CE1 3.4Å; L225-F257 VanDerWaalsContact CD2-CE1 3.4Å; L225-F257 HydrophobicContact CD2-CG 4.35Å; L225-F257 HydrophobicContact CD2-CZ 3.89Å; M247-F257 HydrophobicContact CB-CD1 4.1Å; M247-F257 HydrophobicContact CB-CE1 4.31Å; M247-F257 HydrophobicContact CE-CD1 3.64Å; M247-F257 HydrophobicContact CE-CE1 3.59Å; M247-F257 HydrophobicContact CG-CD1 4.32Å; M247-F257 HydrophobicContact CG-CE1 4.08Å; I250-F257 HydrophobicContact CG2-CE2 4.22Å; I250-F257 HydrophobicContact CG2-CZ 4.26Å; R251-F257 HydrophobicContact CB-CB 4.46Å; R251-F257 WeakPolarHBondContact CD-O 3.26Å; R251-F257 HydrophobicContact CG-CB 4.21Å; T254-F257 HydrophobicContact CG2-CD2 3.56Å; T254-F257 HydrophobicContact CG2-CE2 3.48Å; T254-F257 VanDerWaalsContact CG2-CE2 3.48Å; N255-F257 PolarHBondContact O-N 3.5Å; F257-L259 VanDerWaalsContact C-N 3.3Å; F257-L259 HydrophobicContact CB-CD2 4.25Å; F257-L259 HydrophobicContact CB-CG 4.25Å; F257-L259 HydrophobicContact CD1-CD2 4.16Å
258T77.9Confident84.1Confident0 Ų042.5 Ų42.50%020%0.204CC..  trans-69.9-31.4177.848.80000111.8P223 L225 V226 T256 T260 N263 S287P223-T258 WeakPolarHBondContact O-CG2 3.47Å; P223-T258 PolarHBondContact O-OG1 3.31Å; L225-T258 PolarHBondContact O-N 3.5Å; L225-T258 PolarHBondContact O-OG1 3.15Å; V226-T258 VanDerWaalsContact CG2-OG1 3.22Å; V226-T258 WeakPolarHBondContact CG2-OG1 3.16Å; T256-T258 PolarHBondContact O-N 3.13Å; T256-T258 VanDerWaalsContact O-N 3.08Å; T258-T260 PolarHBondContact O-N 2.89Å; T258-N263 HydrophobicContact CG2-CB 4.37Å; T258-N263 VanDerWaalsContact O-CB 3.28Å; T258-N263 WeakPolarHBondContact O-CB 3.38Å; T258-N263 PolarHBondContact O-ND2 2.83Å; T258-S287 VanDerWaalsContact CG2-O 3.27Å; T258-S287 WeakPolarHBondContact CG2-O 3.23Å
259L81Confident85.2Confident8 Ų836.3 Ų36.34%0.04218%0.181CC..BIsolated β-bridgetrans63.7-39173.5-58.7176000115.6L225 M227 M247 W248 F257L225-L259 PolarHBondContact O-N 2.84Å; M227-L259 WeakPolarHBondContact CB-O 3.49Å; M227-L259 WeakPolarHBondContact CG-O 3.25Å; M227-L259 PolarHBondContact N-O 2.94Å; M247-L259 HydrophobicContact CB-CD2 4.3Å; M247-L259 HydrophobicContact CE-CD2 3.7Å; W248-L259 HydrophobicContact CD2-CD1 4.43Å; W248-L259 HydrophobicContact CG-CD1 4.14Å; F257-L259 VanDerWaalsContact C-N 3.3Å; F257-L259 HydrophobicContact CB-CD2 4.25Å; F257-L259 HydrophobicContact CB-CG 4.25Å; F257-L259 HydrophobicContact CD1-CD2 4.16Å
260T88.1Confident86.2Confident58 Ų5835.3 Ų35.336%0.35617%0.17SC..SBendtrans-108.8147.7179.173.80000111T258 Y262 N263 G264T258-T260 PolarHBondContact O-N 2.89Å; T260-Y262 PolarHBondContact O-N 3.37Å; T260-N263 PolarHBondContact O-N 3.07Å; T260-N263 WeakPolarHBondContact OG1-CB 3.15Å; T260-N263 PolarHBondContact OG1-N 2.83Å; T260-N263 VanDerWaalsContact OG1-N 3.15Å; T260-N263 PolarHBondContact OG1-ND2 3.44Å; T260-N263 PolarHBondContact OG1-OD1 2.96Å; T260-G264 PolarHBondContact O-N 2.92Å
261P91.8Very high87.4Confident38 Ų3834.8 Ų34.825%0.24717%0.168CC..Hα-helixtrans-56.4-32.8173.1-28.436.3000114.1G13 A17 V226 G264 A265G13-P261 WeakPolarHBondContact O-CB 3.43Å; A17-P261 HydrophobicContact CB-CB 3.9Å; A17-P261 WeakPolarHBondContact CB-O 3.41Å; V226-P261 HydrophobicContact CG1-CB 4.32Å; V226-P261 HydrophobicContact CG1-CG 4.07Å; P261-G264 PolarHBondContact O-N 3.12Å; P261-A265 WeakPolarHBondContact O-CB 3.17Å; P261-A265 PolarHBondContact O-N 3.16Å
262Y93.2Very high88.4Confident120 Ų12035 Ų3547%0.47117%0.169SC..Hα-helixtrans-62.6-44.4176.6-170.5-89.5000112.6R21 T260 A265R21-Y262 HydrophobicContact CG-CD2 4.1Å; R21-Y262 HydrophobicContact CG-CE2 3.53Å; R21-Y262 VanDerWaalsContact NH1-CE1 3.34Å; R21-Y262 PolarHBondContact NH1-O 2.57Å; T260-Y262 PolarHBondContact O-N 3.37Å; Y262-A265 PolarHBondContact O-N 3.38Å
263N93.6Very high89.6Confident23 Ų2334.1 Ų34.112%0.12317%0.165CC..Hα-helixtrans-70.9-38175.2-64.5-4.9000111.2T258 T260 A265 E266 N295T258-N263 HydrophobicContact CG2-CB 4.37Å; T258-N263 VanDerWaalsContact O-CB 3.28Å; T258-N263 WeakPolarHBondContact O-CB 3.38Å; T258-N263 PolarHBondContact O-ND2 2.83Å; T260-N263 PolarHBondContact O-N 3.07Å; T260-N263 WeakPolarHBondContact OG1-CB 3.15Å; T260-N263 PolarHBondContact OG1-N 2.83Å; T260-N263 VanDerWaalsContact OG1-N 3.15Å; T260-N263 PolarHBondContact OG1-ND2 3.44Å; T260-N263 PolarHBondContact OG1-OD1 2.96Å; N263-A265 PolarHBondContact O-N 3.36Å; N263-E266 WeakPolarHBondContact O-CB 3.4Å; N263-E266 PolarHBondContact O-N 2.95Å; N263-E266 VanDerWaalsContact O-N 3.08Å; N263-N295 WeakPolarHBondContact CB-OD1 3.38Å; N263-N295 PolarHBondContact OD1-ND2 3.47Å; N263-N295 PolarHBondContact OD1-OD1 3.01Å
264G93.4Very high90.7Very high0 Ų029.2 Ų29.20%014%0.144CC..Hα-helixtrans-62-29.317600000113.8P223 T260 P261 E266 S287P223-G264 WeakPolarHBondContact CA-O 3.1Å; P223-G264 WeakPolarHBondContact CB-O 3.29Å; P223-G264 WeakPolarHBondContact O-CA 3.48Å; T260-G264 PolarHBondContact O-N 2.92Å; P261-G264 PolarHBondContact O-N 3.12Å; G264-E266 VanDerWaalsContact C-N 3.26Å; G264-E266 PolarHBondContact O-N 2.81Å; G264-S287 WeakPolarHBondContact O-CB 3.46Å; G264-S287 PolarHBondContact O-OG 3.2Å
265A96.9Very high91.8Very high0 Ų035.7 Ų35.70%017%0.17CC..THydrogen-bonded Turntrans-78.9-0.717600000114.3I14 A17 L18 P261 Y262 N263 A267 L268 H269I14-A265 HydrophobicContact CG2-CB 4.19Å; A17-A265 HydrophobicContact CB-CB 4.23Å; L18-A265 HydrophobicContact CB-CB 4.16Å; P261-A265 WeakPolarHBondContact O-CB 3.17Å; P261-A265 PolarHBondContact O-N 3.16Å; Y262-A265 PolarHBondContact O-N 3.38Å; N263-A265 PolarHBondContact O-N 3.36Å; A265-A267 PolarHBondContact O-N 2.93Å; A265-L268 WeakPolarHBondContact O-CB 3.41Å; A265-L268 PolarHBondContact O-N 3.03Å; A265-H269 PolarHBondContact O-N 3.47Å
266E97.6Very high92.5Very high26 Ų2633.9 Ų33.912%0.12116%0.161CC..Hα-helixtrans-54.4-56.7-175.8-177.564.3-150.700112.6R21 N263 G264 L268 H269 W270 N295R21-E266 IonicContact CZ-OE2 2.75Å; R21-E266 IonicContact NH1-OE2 3.23Å; R21-E266 PolarHBondContact NH1-OE2 3.2Å; R21-E266 IonicContact NH2-OE1 3.5Å; R21-E266 IonicContact NH2-OE2 2.81Å; R21-E266 PolarHBondContact NH2-OE2 2.84Å; N263-E266 WeakPolarHBondContact O-CB 3.4Å; N263-E266 PolarHBondContact O-N 2.95Å; N263-E266 VanDerWaalsContact O-N 3.08Å; G264-E266 VanDerWaalsContact C-N 3.26Å; G264-E266 PolarHBondContact O-N 2.81Å; E266-L268 VanDerWaalsContact C-N 3.29Å; E266-L268 PolarHBondContact O-N 2.73Å; E266-H269 PolarHBondContact O-N 3.11Å; E266-W270 WeakPolarHBondContact O-CB 3.14Å; E266-W270 PolarHBondContact O-N 3.24Å; E266-N295 HydrophobicContact CB-CB 4.16Å; E266-N295 HydrophobicContact CG-CB 3.75Å; E266-N295 VanDerWaalsContact OE2-CB 3.31Å; E266-N295 WeakPolarHBondContact OE2-CB 3.31Å
267A97.9Very high93.3Very high0 Ų038.3 Ų38.30%018%0.181CC..Hα-helixtrans-67.7-28.8-177.800000112.8V221 A265 L271 S287 T297V221-A267 HydrophobicContact CB-CB 4.42Å; V221-A267 HydrophobicContact CG1-CB 3.62Å; V221-A267 HydrophobicContact CG2-CB 3.96Å; A265-A267 PolarHBondContact O-N 2.93Å; A267-L271 WeakPolarHBondContact O-CB 3.24Å; A267-L271 VanDerWaalsContact O-CG 3.26Å; A267-L271 WeakPolarHBondContact O-CG 3.3Å; A267-L271 PolarHBondContact O-N 3.48Å; A267-S287 WeakPolarHBondContact CB-OG 3.32Å; A267-S287 PolarHBondContact N-OG 2.96Å; A267-T297 WeakPolarHBondContact CA-OG1 3.33Å; A267-T297 HydrophobicContact CB-CG2 3.85Å
268L98.3Very high94.1Very high0 Ų042.3 Ų42.30%021%0.209CC..Hα-helixtrans-65.6-42174.3-65.4171.3000111.4I14 L18 Y88 V167 V221 A265 E266 F272I14-L268 HydrophobicContact CG2-CD1 3.49Å; I14-L268 VanDerWaalsContact CG2-CD1 3.49Å; L18-L268 HydrophobicContact CD1-CB 3.7Å; L18-L268 HydrophobicContact CD2-CB 4.13Å; L18-L268 HydrophobicContact CD2-CD1 4.16Å; L18-L268 HydrophobicContact CG-CB 4.41Å; Y88-L268 HydrophobicContact CD1-CB 4.5Å; Y88-L268 HydrophobicContact CD1-CD2 4.04Å; Y88-L268 HydrophobicContact CE1-CB 4.02Å; Y88-L268 HydrophobicContact CE1-CD2 4.16Å; Y88-L268 PolarHBondContact OH-O 2.83Å; V167-L268 HydrophobicContact CG1-CD2 3.52Å; V221-L268 HydrophobicContact CB-CD2 3.78Å; V221-L268 HydrophobicContact CB-CG 4.31Å; V221-L268 HydrophobicContact CG1-CD2 4.04Å; V221-L268 HydrophobicContact CG1-CG 4.02Å; V221-L268 HydrophobicContact CG2-CD2 3.8Å; V221-L268 HydrophobicContact CG2-CG 4.36Å; A265-L268 WeakPolarHBondContact O-CB 3.41Å; A265-L268 PolarHBondContact O-N 3.03Å; E266-L268 VanDerWaalsContact C-N 3.29Å; E266-L268 PolarHBondContact O-N 2.73Å; L268-F272 PolarHBondContact O-N 3.03Å
269H98.3Very high95Very high17 Ų1743.3 Ų43.38%0.07921%0.214CC..Hα-helixtrans-73.8-41.9174.7168.2-109.5000111.6L18 R21 E25 A265 E266 L271 F272L18-H269 HydrophobicContact CD1-CB 4.33Å; R21-H269 HydrophobicContact CB-CB 4.18Å; R21-H269 PolarHBondContact NE-ND1 3.17Å; R21-H269 PolarHBondContact NH2-ND1 2.95Å; E25-H269 IonicContact OE2-CE1 2.65Å; E25-H269 PolarHBondContact OE2-CE1 3.4Å; E25-H269 IonicContact OE2-NE2 3.48Å; E25-H269 PolarHBondContact OE2-NE2 2.94Å; A265-H269 PolarHBondContact O-N 3.47Å; E266-H269 PolarHBondContact O-N 3.11Å; H269-L271 VanDerWaalsContact C-N 3.26Å; H269-L271 PolarHBondContact O-N 2.94Å; H269-F272 WeakPolarHBondContact O-CB 3.43Å; H269-F272 PolarHBondContact O-N 3.49Å
270W98.3Very high95.7Very high78 Ų7846.6 Ų46.630%0.29523%0.231SC..Hα-helixtrans-57.5-42.1176.2-178.586.6000111.4E266 F272 L273 Q274 L279 Y285 T297E266-W270 WeakPolarHBondContact O-CB 3.14Å; E266-W270 PolarHBondContact O-N 3.24Å; W270-F272 VanDerWaalsContact C-N 3.31Å; W270-F272 PolarHBondContact O-N 3.39Å; W270-L273 WeakPolarHBondContact O-CB 3.27Å; W270-L273 PolarHBondContact O-N 3.15Å; W270-L273 VanDerWaalsContact O-N 3.17Å; W270-Q274 HydrophobicContact CD2-CG 3.97Å; W270-Q274 VanDerWaalsContact CE2-NE2 3.33Å; W270-Q274 HydrophobicContact CE3-CG 3.68Å; W270-Q274 HydrophobicContact CH2-CG 3.49Å; W270-Q274 VanDerWaalsContact CH2-CG 3.49Å; W270-Q274 VanDerWaalsContact CZ2-CD 3.41Å; W270-Q274 HydrophobicContact CZ2-CG 3.78Å; W270-Q274 HydrophobicContact CZ3-CG 3.44Å; W270-Q274 VanDerWaalsContact CZ3-CG 3.44Å; W270-Q274 WeakPolarHBondContact O-CG 3.3Å; W270-Q274 PolarHBondContact O-NE2 3.18Å; W270-L279 HydrophobicContact CH2-CD2 4.26Å; W270-L279 HydrophobicContact CZ3-CD2 4.07Å; W270-Y285 HydrophobicContact CE3-CD1 4.26Å; W270-Y285 HydrophobicContact CH2-CD1 4.32Å; W270-Y285 HydrophobicContact CH2-CE1 4.05Å; W270-Y285 AromaticContact CZ3-CD1 3.6Å; W270-Y285 HydrophobicContact CZ3-CD1 3.6Å; W270-Y285 AromaticContact CZ3-CE1 3.62Å; W270-Y285 HydrophobicContact CZ3-CE1 3.62Å; W270-Y285 HydrophobicContact CZ3-CG 4.45Å; W270-T297 WeakPolarHBondContact CB-OG1 3.29Å; W270-T297 HydrophobicContact CD2-CG2 4.07Å; W270-T297 HydrophobicContact CE3-CG2 3.89Å; W270-T297 HydrophobicContact CG-CG2 4.42Å; W270-T297 HydrophobicContact CZ3-CG2 4.4Å
271L98.3Very high96.1Very high0 Ų046.4 Ų46.40%023%0.231CC..Hα-helixtrans-59.5-39.8174.8-79.1176.6000111.9R165 V167 V221 A267 H269 L273 Q274 L279 Y285R165-L271 PolarHBondContact NH1-O 2.97Å; R165-L271 PolarHBondContact NH2-O 3.24Å; V167-L271 HydrophobicContact CG1-CD1 3.71Å; V221-L271 HydrophobicContact CG2-CD1 3.36Å; V221-L271 HydrophobicContact CG2-CG 4.37Å; A267-L271 WeakPolarHBondContact O-CB 3.24Å; A267-L271 VanDerWaalsContact O-CG 3.26Å; A267-L271 WeakPolarHBondContact O-CG 3.3Å; A267-L271 PolarHBondContact O-N 3.48Å; H269-L271 VanDerWaalsContact C-N 3.26Å; H269-L271 PolarHBondContact O-N 2.94Å; L271-L273 PolarHBondContact O-N 3.3Å; L271-Q274 PolarHBondContact O-N 3.16Å; L271-L279 HydrophobicContact CD2-CD1 3.52Å; L271-L279 HydrophobicContact CD2-CD2 4.05Å; L271-L279 HydrophobicContact CD2-CG 4.45Å; L271-Y285 HydrophobicContact CD1-CD2 4.42Å; L271-Y285 HydrophobicContact CD2-CD2 3.99Å; L271-Y285 HydrophobicContact CD2-CE2 4.15Å; L271-Y285 HydrophobicContact CD2-CG 4.22Å
272F98Very high96.3Very high12 Ų1247.2 Ų47.25%0.05323%0.229CC..Hα-helixtrans-51.4-34.3177.3178-104.6000112.8K3 V5 L22 E25 D26 L29 F86 R165 L268 H269 W270K3-F272 HydrophobicContact CD-CE2 4.02Å; K3-F272 HydrophobicContact CD-CZ 3.91Å; V5-F272 HydrophobicContact CG2-CE2 4.47Å; L22-F272 HydrophobicContact CD2-CB 3.78Å; L22-F272 HydrophobicContact CD2-CD1 3.92Å; L22-F272 HydrophobicContact CD2-CD2 3.58Å; L22-F272 HydrophobicContact CD2-CE1 4.36Å; L22-F272 HydrophobicContact CD2-CE2 4.06Å; L22-F272 HydrophobicContact CD2-CG 3.49Å; L22-F272 VanDerWaalsContact CD2-CG 3.49Å; L22-F272 HydrophobicContact CD2-CZ 4.41Å; E25-F272 HydrophobicContact CB-CE1 4.36Å; E25-F272 HydrophobicContact CG-CD1 4Å; E25-F272 HydrophobicContact CG-CE1 3.79Å; D26-F272 HydrophobicContact CB-CE1 4.2Å; D26-F272 HydrophobicContact CB-CZ 4.1Å; L29-F272 HydrophobicContact CD2-CZ 4.3Å; F86-F272 HydrophobicContact CD1-CD2 4.19Å; F86-F272 HydrophobicContact CD2-CD2 4.16Å; F86-F272 HydrophobicContact CD2-CE2 4.12Å; F86-F272 HydrophobicContact CE1-CB 4.47Å; F86-F272 AromaticContact CE1-CD2 3.76Å; F86-F272 HydrophobicContact CE1-CD2 3.76Å; F86-F272 HydrophobicContact CE1-CG 4.5Å; F86-F272 AromaticContact CE2-CD2 3.75Å; F86-F272 HydrophobicContact CE2-CD2 3.75Å; F86-F272 AromaticContact CE2-CE2 3.74Å; F86-F272 HydrophobicContact CE2-CE2 3.74Å; F86-F272 HydrophobicContact CG-CD2 4.38Å; F86-F272 AromaticContact CZ-CD2 3.51Å; F86-F272 HydrophobicContact CZ-CD2 3.51Å; F86-F272 AromaticContact CZ-CE2 3.97Å; F86-F272 HydrophobicContact CZ-CE2 3.97Å; F86-F272 HydrophobicContact CZ-CG 4.35Å; R165-F272 PolarHBondContact NH1-O 2.95Å; L268-F272 PolarHBondContact O-N 3.03Å; H269-F272 WeakPolarHBondContact O-CB 3.43Å; H269-F272 PolarHBondContact O-N 3.49Å; W270-F272 VanDerWaalsContact C-N 3.31Å; W270-F272 PolarHBondContact O-N 3.39Å
273L97.3Very high96.4Very high87 Ų8741.7 Ų41.746%0.45521%0.208SC..Hα-helixtrans-82.9-14.8-178.6-58.9177000114.4E25 W270 L271E25-L273 HydrophobicContact CG-CD2 3.79Å; E25-L273 WeakPolarHBondContact OE1-CD2 3.14Å; W270-L273 WeakPolarHBondContact O-CB 3.27Å; W270-L273 PolarHBondContact O-N 3.15Å; W270-L273 VanDerWaalsContact O-N 3.17Å; L271-L273 PolarHBondContact O-N 3.3Å
274Q97.2Very high96.6Very high52 Ų5241.3 Ų41.324%0.24321%0.205CC..SBendtrans-86.5153.6-175.7-56.1-43.6-57.500113.2R165 W270 L271 L279R165-Q274 PolarHBondContact NH1-O 3.04Å; W270-Q274 HydrophobicContact CD2-CG 3.97Å; W270-Q274 VanDerWaalsContact CE2-NE2 3.33Å; W270-Q274 HydrophobicContact CE3-CG 3.68Å; W270-Q274 HydrophobicContact CH2-CG 3.49Å; W270-Q274 VanDerWaalsContact CH2-CG 3.49Å; W270-Q274 VanDerWaalsContact CZ2-CD 3.41Å; W270-Q274 HydrophobicContact CZ2-CG 3.78Å; W270-Q274 HydrophobicContact CZ3-CG 3.44Å; W270-Q274 VanDerWaalsContact CZ3-CG 3.44Å; W270-Q274 WeakPolarHBondContact O-CG 3.3Å; W270-Q274 PolarHBondContact O-NE2 3.18Å; L271-Q274 PolarHBondContact O-N 3.16Å; Q274-L279 HydrophobicContact CB-CD1 4.41Å; Q274-L279 HydrophobicContact CB-CD2 3.91Å; Q274-L279 HydrophobicContact CB-CG 4.43Å; Q274-L279 HydrophobicContact CG-CD2 4.08Å
275K95.8Very high96.9Very high158 Ų15841.8 Ų41.869%0.68721%0.207SC*.  trans-77.5123.6164-65.2-176.5-178.9-179.20109.1E277 S278K275-E277 PolarHBondContact O-N 2.88Å; K275-S278 PolarHBondContact O-N 3.46Å; K275-S278 VanDerWaalsContact O-N 3.11Å; K275-S278 PolarHBondContact O-OG 2.84Å
276P94.8Very high96.9Very high13 Ų1342.5 Ų42.58%0.08421%0.211CC..G310 helixtrans-61.2-30.3-175.422.4-30.3000113.2T163 R165 F217 S278 L279T163-P276 HydrophobicContact CG2-CG 3.51Å; R165-P276 HydrophobicContact CG-CB 4.34Å; R165-P276 HydrophobicContact CG-CG 4.3Å; F217-P276 HydrophobicContact CB-CB 3.59Å; F217-P276 HydrophobicContact CB-CG 4.45Å; F217-P276 HydrophobicContact CD1-CB 4.02Å; F217-P276 HydrophobicContact CD2-CB 3.94Å; F217-P276 HydrophobicContact CD2-CG 3.97Å; F217-P276 HydrophobicContact CE2-CG 4.39Å; F217-P276 HydrophobicContact CG-CB 3.59Å; F217-P276 HydrophobicContact CG-CG 4.15Å; P276-S278 PolarHBondContact O-N 2.96Å; P276-L279 WeakPolarHBondContact O-CB 3.32Å; P276-L279 PolarHBondContact O-N 3.45Å; P276-L279 VanDerWaalsContact O-N 3.12Å
277E93.5Very high96.8Very high115 Ų11541.2 Ų41.254%0.53721%0.205SC..G310 helixtrans-67.1-20.7179.9-54.181.2-179.800113F217 K275F217-E277 HydrophobicContact CE1-CG 4.26Å; F217-E277 HydrophobicContact CZ-CG 3.96Å; K275-E277 PolarHBondContact O-N 2.88Å
278S95.3Very high96.5Very high84 Ų8441.2 Ų41.259%0.58721%0.205SC*.G310 helixtrans-88.6-4.9176.266.30000114.3K275 P276K275-S278 PolarHBondContact O-N 3.46Å; K275-S278 VanDerWaalsContact O-N 3.11Å; K275-S278 PolarHBondContact O-OG 2.84Å; P276-S278 PolarHBondContact O-N 2.96Å
279L97Very high96.1Very high20 Ų2041.2 Ų41.211%0.10521%0.205CC..SBendtrans-88.2144.1-177-58.6177.7000110.5S219 W270 L271 Q274 P276 P281 Y285S219-L279 WeakPolarHBondContact OG-CD1 3.22Å; W270-L279 HydrophobicContact CH2-CD2 4.26Å; W270-L279 HydrophobicContact CZ3-CD2 4.07Å; L271-L279 HydrophobicContact CD2-CD1 3.52Å; L271-L279 HydrophobicContact CD2-CD2 4.05Å; L271-L279 HydrophobicContact CD2-CG 4.45Å; Q274-L279 HydrophobicContact CB-CD1 4.41Å; Q274-L279 HydrophobicContact CB-CD2 3.91Å; Q274-L279 HydrophobicContact CB-CG 4.43Å; Q274-L279 HydrophobicContact CG-CD2 4.08Å; P276-L279 WeakPolarHBondContact O-CB 3.32Å; P276-L279 PolarHBondContact O-N 3.45Å; P276-L279 VanDerWaalsContact O-N 3.12Å; L279-P281 VanDerWaalsContact O-CD 3.31Å; L279-P281 WeakPolarHBondContact O-CD 3.47Å; L279-Y285 WeakPolarHBondContact CA-OH 3.41Å; L279-Y285 WeakPolarHBondContact CB-OH 3.42Å; L279-Y285 HydrophobicContact CD2-CE1 4.17Å; L279-Y285 HydrophobicContact CD2-CE2 4.45Å; L279-Y285 WeakPolarHBondContact CD2-OH 3.31Å
280D96.3Very high95.6Very high78 Ų7841.7 Ų41.742%0.41721%0.21SC..  trans-81.2117.4174.4174.87.7000109.2R282 A283 Y285D280-R282 PolarHBondContact O-N 3.08Å; D280-R282 VanDerWaalsContact O-N 3.07Å; D280-R282 WeakPolarHBondContact OD1-CB 3.4Å; D280-R282 PolarHBondContact OD1-N 2.82Å; D280-A283 HydrophobicContact CB-CB 3.81Å; D280-A283 WeakPolarHBondContact O-CB 3.42Å; D280-A283 PolarHBondContact O-N 2.82Å; D280-Y285 PolarHBondContact N-OH 2.77Å; D280-Y285 VanDerWaalsContact N-OH 3.16Å
281P94.8Very high94.8Very high53 Ų5339.5 Ų39.534%0.34421%0.211SC..THydrogen-bonded Turntrans-57.8-21.4176.9-26.837.6000114.3N208 L279 M302N208-P281 HydrophobicContact CB-CB 4.19Å; L279-P281 VanDerWaalsContact O-CD 3.31Å; L279-P281 WeakPolarHBondContact O-CD 3.47Å; P281-M302 WeakPolarHBondContact O-CE 3.4Å
282R95.7Very high94.1Very high56 Ų5647.7 Ų47.721%0.21125%0.254CS..THydrogen-bonded Turntrans-94.8-0.7178.8-53.8-168.481.597.11.3113.2D280 M302 L304 D306D280-R282 PolarHBondContact O-N 3.08Å; D280-R282 VanDerWaalsContact O-N 3.07Å; D280-R282 WeakPolarHBondContact OD1-CB 3.4Å; D280-R282 PolarHBondContact OD1-N 2.82Å; R282-M302 WeakPolarHBondContact O-CB 3.37Å; R282-M302 WeakPolarHBondContact O-CG 3.21Å; R282-M302 PolarHBondContact O-N 2.84Å; R282-L304 PolarHBondContact NH2-O 2.93Å; R282-D306 IonicContact CZ-OD1 2.96Å; R282-D306 VanDerWaalsContact NH1-CG 3.34Å; R282-D306 IonicContact NH1-OD1 3.95Å; R282-D306 PolarHBondContact NH1-OD1 2.88Å; R282-D306 IonicContact NH1-OD2 3.61Å; R282-D306 PolarHBondContact NH1-OD2 3.41Å; R282-D306 IonicContact NH2-OD1 2.63Å; R282-D306 PolarHBondContact NH2-OD1 3.22Å
283A97.2Very high93.4Very high4 Ų448.9 Ų48.93%0.03327%0.27CS..EExtended strand (participates in β ladder)trans-90.9139.2178.500000111.9D280 Y285 P299D280-A283 HydrophobicContact CB-CB 3.81Å; D280-A283 WeakPolarHBondContact O-CB 3.42Å; D280-A283 PolarHBondContact O-N 2.82Å; A283-Y285 HydrophobicContact CB-CE2 4.06Å; A283-P299 HydrophobicContact CB-CB 3.97Å
284K97.8Very high93Very high14 Ų1449.2 Ų49.26%0.06128%0.275CS..EExtended strand (participates in β ladder)trans-102.9120.9161.9-178.1177.3-59.3175.20109S170 S171 A174 D201 V220 C222 H286 R300 M302S170-K284 PolarHBondContact OG-NZ 2.9Å; S171-K284 PolarHBondContact O-NZ 2.78Å; A174-K284 VanDerWaalsContact CB-NZ 3.29Å; D201-K284 WeakPolarHBondContact OD1-CE 3.2Å; D201-K284 IonicContact OD1-NZ 3.18Å; D201-K284 PolarHBondContact OD1-NZ 3.15Å; D201-K284 WeakPolarHBondContact OD2-CE 3.39Å; D201-K284 IonicContact OD2-NZ 4Å; D201-K284 PolarHBondContact OD2-NZ 2.91Å; V220-K284 HydrophobicContact CB-CG 4.47Å; V220-K284 HydrophobicContact CG1-CD 4.31Å; V220-K284 HydrophobicContact CG1-CG 3.98Å; V220-K284 WeakPolarHBondContact O-CA 3.35Å; C222-K284 HydrophobicContact CB-CD 3.85Å; C222-K284 HydrophobicContact CB-CG 4.09Å; K284-H286 PolarHBondContact O-CE1 3.17Å; K284-H286 PolarHBondContact O-ND1 3.06Å; K284-R300 PolarHBondContact N-O 2.84Å; K284-R300 PolarHBondContact O-N 2.97Å; K284-M302 HydrophobicContact CB-CG 3.65Å; K284-M302 HydrophobicContact CB-SD 3.98Å
285Y98.1Very high92.9Very high11 Ų1148.2 Ų48.24%0.04327%0.272CS..EExtended strand (participates in β ladder)trans-86.2119.9-178-64-88.9000109.9V220 V221 C222 W270 L271 L279 D280 A283 T297 P299V220-Y285 PolarHBondContact O-N 2.92Å; V221-Y285 CarbonylContact C-O 3.55Å; V221-Y285 VanDerWaalsContact CA-O 3.22Å; V221-Y285 WeakPolarHBondContact CA-O 3.37Å; C222-Y285 PolarHBondContact N-O 3.17Å; W270-Y285 HydrophobicContact CE3-CD1 4.26Å; W270-Y285 HydrophobicContact CH2-CD1 4.32Å; W270-Y285 HydrophobicContact CH2-CE1 4.05Å; W270-Y285 AromaticContact CZ3-CD1 3.6Å; W270-Y285 HydrophobicContact CZ3-CD1 3.6Å; W270-Y285 AromaticContact CZ3-CE1 3.62Å; W270-Y285 HydrophobicContact CZ3-CE1 3.62Å; W270-Y285 HydrophobicContact CZ3-CG 4.45Å; L271-Y285 HydrophobicContact CD1-CD2 4.42Å; L271-Y285 HydrophobicContact CD2-CD2 3.99Å; L271-Y285 HydrophobicContact CD2-CE2 4.15Å; L271-Y285 HydrophobicContact CD2-CG 4.22Å; L279-Y285 WeakPolarHBondContact CA-OH 3.41Å; L279-Y285 WeakPolarHBondContact CB-OH 3.42Å; L279-Y285 HydrophobicContact CD2-CE1 4.17Å; L279-Y285 HydrophobicContact CD2-CE2 4.45Å; L279-Y285 WeakPolarHBondContact CD2-OH 3.31Å; D280-Y285 PolarHBondContact N-OH 2.77Å; D280-Y285 VanDerWaalsContact N-OH 3.16Å; A283-Y285 HydrophobicContact CB-CE2 4.06Å; Y285-T297 HydrophobicContact CD1-CG2 4.05Å; Y285-T297 HydrophobicContact CG-CG2 4.45Å; Y285-P299 HydrophobicContact CD1-CB 4.02Å; Y285-P299 HydrophobicContact CE1-CB 3.86Å
286H96.8Very high92.8Very high14 Ų1444.3 Ų44.37%0.06525%0.253CS..EExtended strand (participates in β ladder)trans-96.5126.4-175.9-69.269.3000110.6C222 K284 L288 T297 E298C222-H286 WeakPolarHBondContact CB-CD2 3.41Å; C222-H286 CarbonylContact O-C 3.57Å; C222-H286 WeakPolarHBondContact O-CA 3.34Å; K284-H286 PolarHBondContact O-CE1 3.17Å; K284-H286 PolarHBondContact O-ND1 3.06Å; H286-L288 HydrophobicContact CB-CD1 4.36Å; H286-L288 HydrophobicContact CB-CD2 4.03Å; H286-L288 HydrophobicContact CB-CG 3.97Å; H286-L288 PolarHBondContact O-N 2.85Å; H286-T297 VanDerWaalsContact O-CA 3.31Å; H286-T297 WeakPolarHBondContact O-CA 3.08Å; H286-E298 PolarHBondContact N-O 2.84Å; H286-E298 PolarHBondContact O-N 2.65Å; H286-E298 VanDerWaalsContact O-N 3.17Å
287S96Very high92.9Very high0 Ų045 Ų450%026%0.258CS..EExtended strand (participates in β ladder)trans-70.6117.7161.3-59.70000108C222 T258 G264 A267C222-S287 PolarHBondContact O-N 3.36Å; T258-S287 VanDerWaalsContact CG2-O 3.27Å; T258-S287 WeakPolarHBondContact CG2-O 3.23Å; G264-S287 WeakPolarHBondContact O-CB 3.46Å; G264-S287 PolarHBondContact O-OG 3.2Å; A267-S287 WeakPolarHBondContact CB-OG 3.32Å; A267-S287 PolarHBondContact N-OG 2.96Å
288L92.8Very high93Very high0 Ų042.8 Ų42.80%025%0.247CC..EExtended strand (participates in β ladder)trans-125.4150.5-180-60.6176.7000109.4N255 T256 H286 N295 Y296 E298N255-L288 HydrophobicContact CB-CB 4.13Å; N255-L288 HydrophobicContact CB-CD2 4.49Å; N255-L288 CarbonylContact O-C 3.59Å; N255-L288 VanDerWaalsContact O-CA 3.24Å; N255-L288 WeakPolarHBondContact O-CA 3.3Å; T256-L288 HydrophobicContact CG2-CD2 3.78Å; H286-L288 HydrophobicContact CB-CD1 4.36Å; H286-L288 HydrophobicContact CB-CD2 4.03Å; H286-L288 HydrophobicContact CB-CG 3.97Å; H286-L288 PolarHBondContact O-N 2.85Å; L288-N295 CarbonylContact O-C 3.52Å; L288-N295 VanDerWaalsContact O-CA 3.29Å; L288-N295 WeakPolarHBondContact O-CA 3.46Å; L288-Y296 HydrophobicContact CB-CD1 3.99Å; L288-Y296 HydrophobicContact CB-CD2 4.24Å; L288-Y296 HydrophobicContact CB-CE1 3.56Å; L288-Y296 HydrophobicContact CB-CE2 3.86Å; L288-Y296 HydrophobicContact CB-CG 4.31Å; L288-Y296 VanDerWaalsContact CB-CZ 3.48Å; L288-Y296 HydrophobicContact CD1-CD2 4.33Å; L288-Y296 HydrophobicContact CD1-CE2 3.48Å; L288-Y296 VanDerWaalsContact CD1-CE2 3.48Å; L288-Y296 WeakPolarHBondContact CD1-OH 3.1Å; L288-Y296 HydrophobicContact CG-CE2 4.27Å; L288-Y296 PolarHBondContact N-O 3.4Å; L288-Y296 PolarHBondContact O-N 2.78Å; L288-E298 HydrophobicContact CD1-CB 3.53Å; L288-E298 HydrophobicContact CD1-CG 4.37Å
289T90Very high93.1Very high0 Ų042.5 Ų42.50%024%0.243CC..EExtended strand (participates in β ladder)trans-128.6122.9173.1-47.60000109.5R251 N255 G293 T294 N295R251-T289 WeakPolarHBondContact CD-O 3.39Å; R251-T289 WeakPolarHBondContact CG-O 3.22Å; R251-T289 VanDerWaalsContact NH1-CG2 3.29Å; N255-T289 WeakPolarHBondContact CA-O 3.41Å; N255-T289 WeakPolarHBondContact CB-O 3.14Å; N255-T289 PolarHBondContact O-N 3.16Å; T289-G293 WeakPolarHBondContact CG2-O 3.43Å; T289-T294 WeakPolarHBondContact CA-O 3.49Å; T289-N295 WeakPolarHBondContact CB-OD1 3.3Å; T289-N295 WeakPolarHBondContact CG2-OD1 3.25Å; T289-N295 PolarHBondContact OG1-OD1 2.97Å
290S87.6Confident93Very high27 Ų2746.2 Ų46.219%0.18926%0.256CS..  trans-62.6157.8177.476.20000111.4R251 L292 G293 T294R251-S290 PolarHBondContact NE-O 3.42Å; R251-S290 PolarHBondContact NH2-O 3.34Å; S290-L292 PolarHBondContact O-N 2.71Å; S290-G293 PolarHBondContact O-N 3.06Å; S290-T294 PolarHBondContact N-O 2.69Å; S290-T294 WeakPolarHBondContact OG-CB 3.45Å; S290-T294 PolarHBondContact OG-N 2.95Å; S290-T294 VanDerWaalsContact OG-N 3.11Å; S290-T294 PolarHBondContact OG-O 3.33Å
291G81.3Confident93Very high31 Ų3151.9 Ų51.932%0.3227%0.272SS..THydrogen-bonded Turntrans-48.8-33.6174.900000113.8
292L82.6Confident93Very high172 Ų17249.9 Ų49.990%0.90126%0.258SS*.THydrogen-bonded Turntrans-82-13.5-178.3-67.6177.6000115.8S290S290-L292 PolarHBondContact O-N 2.71Å
293G83.4Confident92.9Very high37 Ų3752.8 Ų52.838%0.38128%0.277SS..SBendtrans127.6-20.3-17700000115.5T289 S290 N295T289-G293 WeakPolarHBondContact CG2-O 3.43Å; S290-G293 PolarHBondContact O-N 3.06Å; G293-N295 PolarHBondContact O-N 3.27Å
294T89.9Confident92.8Very high94 Ų9453.2 Ų53.258%0.57728%0.279SS*.  trans-82.5123.2-165.2-44.20000110.7T289 S290T289-T294 WeakPolarHBondContact CA-O 3.49Å; S290-T294 PolarHBondContact N-O 2.69Å; S290-T294 WeakPolarHBondContact OG-CB 3.45Å; S290-T294 PolarHBondContact OG-N 2.95Å; S290-T294 VanDerWaalsContact OG-N 3.11Å; S290-T294 PolarHBondContact OG-O 3.33Å
295N93.9Very high92.6Very high32 Ų3255.2 Ų55.217%0.17129%0.291CS..EExtended strand (participates in β ladder)trans-78.1143.9173.8-61.5-37.5000110.7N263 E266 L288 T289 G293N263-N295 WeakPolarHBondContact CB-OD1 3.38Å; N263-N295 PolarHBondContact OD1-ND2 3.47Å; N263-N295 PolarHBondContact OD1-OD1 3.01Å; E266-N295 HydrophobicContact CB-CB 4.16Å; E266-N295 HydrophobicContact CG-CB 3.75Å; E266-N295 VanDerWaalsContact OE2-CB 3.31Å; E266-N295 WeakPolarHBondContact OE2-CB 3.31Å; L288-N295 CarbonylContact O-C 3.52Å; L288-N295 VanDerWaalsContact O-CA 3.29Å; L288-N295 WeakPolarHBondContact O-CA 3.46Å; T289-N295 WeakPolarHBondContact CB-OD1 3.3Å; T289-N295 WeakPolarHBondContact CG2-OD1 3.25Å; T289-N295 PolarHBondContact OG1-OD1 2.97Å; G293-N295 PolarHBondContact O-N 3.27Å
296Y94.8Very high92.4Very high75 Ų7558.5 Ų58.529%0.29431%0.309SS..EExtended strand (participates in β ladder)trans-153.4167.2173.969.6-81.1000110.6N255 L288 E298N255-Y296 HydrophobicContact CB-CE1 4.11Å; N255-Y296 WeakPolarHBondContact CB-OH 3.34Å; N255-Y296 PolarHBondContact ND2-OH 3.17Å; L288-Y296 HydrophobicContact CB-CD1 3.99Å; L288-Y296 HydrophobicContact CB-CD2 4.24Å; L288-Y296 HydrophobicContact CB-CE1 3.56Å; L288-Y296 HydrophobicContact CB-CE2 3.86Å; L288-Y296 HydrophobicContact CB-CG 4.31Å; L288-Y296 VanDerWaalsContact CB-CZ 3.48Å; L288-Y296 HydrophobicContact CD1-CD2 4.33Å; L288-Y296 HydrophobicContact CD1-CE2 3.48Å; L288-Y296 VanDerWaalsContact CD1-CE2 3.48Å; L288-Y296 WeakPolarHBondContact CD1-OH 3.1Å; L288-Y296 HydrophobicContact CG-CE2 4.27Å; L288-Y296 PolarHBondContact N-O 3.4Å; L288-Y296 PolarHBondContact O-N 2.78Å; Y296-E298 HydrophobicContact CE2-CB 4.31Å
297T96.2Very high92.3Very high29 Ų2965.2 Ų65.218%0.17834%0.34CS..EExtended strand (participates in β ladder)trans-115137.9178.7-62.20000110.9A267 W270 Y285 H286A267-T297 WeakPolarHBondContact CA-OG1 3.33Å; A267-T297 HydrophobicContact CB-CG2 3.85Å; W270-T297 WeakPolarHBondContact CB-OG1 3.29Å; W270-T297 HydrophobicContact CD2-CG2 4.07Å; W270-T297 HydrophobicContact CE3-CG2 3.89Å; W270-T297 HydrophobicContact CG-CG2 4.42Å; W270-T297 HydrophobicContact CZ3-CG2 4.4Å; Y285-T297 HydrophobicContact CD1-CG2 4.05Å; Y285-T297 HydrophobicContact CG-CG2 4.45Å; H286-T297 VanDerWaalsContact O-CA 3.31Å; H286-T297 WeakPolarHBondContact O-CA 3.08Å
298E96Very high92.3Very high67 Ų6767.2 Ų67.231%0.31335%0.35SS..EExtended strand (participates in β ladder)trans-133.2124.5176.1-176-175.895.700110.7H286 L288 Y296 R300H286-E298 PolarHBondContact N-O 2.84Å; H286-E298 PolarHBondContact O-N 2.65Å; H286-E298 VanDerWaalsContact O-N 3.17Å; L288-E298 HydrophobicContact CD1-CB 3.53Å; L288-E298 HydrophobicContact CD1-CG 4.37Å; Y296-E298 HydrophobicContact CE2-CB 4.31Å; E298-R300 IonicContact OE1-CZ 3.89Å; E298-R300 IonicContact OE1-NE 2.96Å; E298-R300 PolarHBondContact OE1-NE 2.85Å; E298-R300 IonicContact OE1-NH2 2.8Å; E298-R300 PolarHBondContact OE1-NH2 3.07Å
299P97.1Very high92.5Very high78 Ų7867.3 Ų67.351%0.50635%0.35SS..EExtended strand (participates in β ladder)trans-74.8137.4173.530.5-32.4000110.8A283 Y285A283-P299 HydrophobicContact CB-CB 3.97Å; Y285-P299 HydrophobicContact CD1-CB 4.02Å; Y285-P299 HydrophobicContact CE1-CB 3.86Å
300R95.6Very high92.9Very high99 Ų9969.3 Ų69.337%0.37436%0.36SS..EExtended strand (participates in β ladder)trans-129.7135.9169.9-57.2-176.2-177.5165.9-3.2109.8K284 E298 M302K284-R300 PolarHBondContact N-O 2.84Å; K284-R300 PolarHBondContact O-N 2.97Å; E298-R300 IonicContact OE1-CZ 3.89Å; E298-R300 IonicContact OE1-NE 2.96Å; E298-R300 PolarHBondContact OE1-NE 2.85Å; E298-R300 IonicContact OE1-NH2 2.8Å; E298-R300 PolarHBondContact OE1-NH2 3.07Å; R300-M302 PolarHBondContact O-N 2.98Å
301R95.6Very high93.4Very high197 Ų19771 Ų7174%0.74337%0.369SS*.EExtended strand (participates in β ladder)trans-64.1131.9-179.8-171.5171.8-179.11651.6110.5
302M95.4Very high94.2Very high11 Ų1169.6 Ų69.65%0.05435%0.354CS..  trans-79.6139.2173.8-59.2-176-72.100110.2D201 V220 P281 R282 K284 R300 L304D201-M302 HydrophobicContact CB-SD 3.65Å; V220-M302 HydrophobicContact CB-SD 4.14Å; V220-M302 HydrophobicContact CG1-SD 4.31Å; V220-M302 HydrophobicContact CG2-CE 4.2Å; V220-M302 HydrophobicContact CG2-SD 4.05Å; P281-M302 WeakPolarHBondContact O-CE 3.4Å; R282-M302 WeakPolarHBondContact O-CB 3.37Å; R282-M302 WeakPolarHBondContact O-CG 3.21Å; R282-M302 PolarHBondContact O-N 2.84Å; K284-M302 HydrophobicContact CB-CG 3.65Å; K284-M302 HydrophobicContact CB-SD 3.98Å; R300-M302 PolarHBondContact O-N 2.98Å; M302-L304 VanDerWaalsContact C-N 3.3Å; M302-L304 HydrophobicContact CB-CD1 3.92Å; M302-L304 HydrophobicContact CB-CD2 4.29Å; M302-L304 HydrophobicContact CB-CG 3.68Å; M302-L304 HydrophobicContact CE-CD1 3.76Å; M302-L304 PolarHBondContact O-N 2.97Å; M302-L304 VanDerWaalsContact O-N 3.07Å; M302-L304 HydrophobicContact SD-CD1 4.24Å
303D93.8Very high95Very high116 Ų11662 Ų6262%0.6231%0.314SS*.  trans-81.175.7173.6-179.631.3000109.8Y198Y198-D303 VanDerWaalsContact CE2-O 3.3Å; Y198-D303 WeakPolarHBondContact CE2-O 3.41Å; Y198-D303 PolarHBondContact OH-O 3Å
304L94.3Very high95.7Very high13 Ų1362.9 Ų62.97%0.06831%0.314CS..  trans-111.5140.4-178-56.3-179.9000111.2Y198 D201 M202 M205 R282 M302Y198-L304 HydrophobicContact CD2-CD2 4.48Å; Y198-L304 HydrophobicContact CE2-CD2 3.81Å; D201-L304 HydrophobicContact CB-CD1 4.49Å; D201-L304 HydrophobicContact CB-CD2 3.95Å; M202-L304 HydrophobicContact CG-CD2 3.75Å; M205-L304 HydrophobicContact CB-CD1 3.87Å; M205-L304 HydrophobicContact CE-CB 3.92Å; M205-L304 HydrophobicContact CE-CD1 4.14Å; M205-L304 HydrophobicContact CG-CD1 4.38Å; M205-L304 HydrophobicContact SD-CB 4.09Å; M205-L304 HydrophobicContact SD-CD1 3.74Å; R282-L304 PolarHBondContact NH2-O 2.93Å; M302-L304 VanDerWaalsContact C-N 3.3Å; M302-L304 HydrophobicContact CB-CD1 3.92Å; M302-L304 HydrophobicContact CB-CD2 4.29Å; M302-L304 HydrophobicContact CB-CG 3.68Å; M302-L304 HydrophobicContact CE-CD1 3.76Å; M302-L304 PolarHBondContact O-N 2.97Å; M302-L304 VanDerWaalsContact O-N 3.07Å; M302-L304 HydrophobicContact SD-CD1 4.24Å
305D93Very high96.1Very high57 Ų5761.9 Ų61.931%0.30530%0.302SS..  trans-100.6124172.3-177.8-84.1000109.6E307 M308 T309D305-E307 PolarHBondContact OD1-N 3.35Å; D305-M308 HydrophobicContact CB-CB 3.89Å; D305-M308 WeakPolarHBondContact OD1-CB 3.31Å; D305-M308 PolarHBondContact OD1-N 3.13Å; D305-T309 WeakPolarHBondContact O-CB 3.36Å; D305-T309 PolarHBondContact O-N 3Å; D305-T309 PolarHBondContact O-OG1 3.2Å
306D93.4Very high96.3Very high80 Ų8060.3 Ų60.343%0.42829%0.294SS..Hα-helixtrans-70.5-39.7-170-69-2.9000111.9M205 R282 T309 E310M205-D306 WeakPolarHBondContact CE-OD1 3.25Å; R282-D306 IonicContact CZ-OD1 2.96Å; R282-D306 VanDerWaalsContact NH1-CG 3.34Å; R282-D306 IonicContact NH1-OD1 3.95Å; R282-D306 PolarHBondContact NH1-OD1 2.88Å; R282-D306 IonicContact NH1-OD2 3.61Å; R282-D306 PolarHBondContact NH1-OD2 3.41Å; R282-D306 IonicContact NH2-OD1 2.63Å; R282-D306 PolarHBondContact NH2-OD1 3.22Å; D306-T309 PolarHBondContact O-N 3.24Å; D306-E310 PolarHBondContact O-N 3.15Å; D306-E310 VanDerWaalsContact O-N 3.16Å
307E95.8Very high96.5Very high155 Ų15558.5 Ų58.572%0.72429%0.289SS*.Hα-helixtrans-67.2-48.1178.2-174179.3178.300110.6D305 T309 E310 V311D305-E307 PolarHBondContact OD1-N 3.35Å; E307-T309 PolarHBondContact O-N 3.06Å; E307-E310 PolarHBondContact O-N 2.72Å; E307-V311 WeakPolarHBondContact O-CG2 3.44Å; E307-V311 PolarHBondContact O-N 3.36Å
308M96.3Very high96.6Very high42 Ų4262.3 Ų62.321%0.20730%0.304CS..Hα-helixtrans-58.1-37.3175.1-174-178-63.200111.7F179 I181 M202 D305 V311 F312F179-M308 HydrophobicContact CD1-SD 4.32Å; F179-M308 HydrophobicContact CE1-SD 4.37Å; I181-M308 HydrophobicContact CB-CG 4.3Å; I181-M308 HydrophobicContact CD1-CG 4.21Å; I181-M308 HydrophobicContact CG1-CG 4.31Å; M202-M308 HydrophobicContact SD-CG 4.3Å; M202-M308 HydrophobicContact SD-SD 4.32Å; D305-M308 HydrophobicContact CB-CB 3.89Å; D305-M308 WeakPolarHBondContact OD1-CB 3.31Å; D305-M308 PolarHBondContact OD1-N 3.13Å; M308-V311 PolarHBondContact O-N 3.18Å; M308-F312 WeakPolarHBondContact O-CB 3.45Å; M308-F312 PolarHBondContact O-N 3.16Å
309T97.4Very high96.6Very high1 Ų159.7 Ų59.71%0.00629%0.292CS..Hα-helixtrans-64.9-42178.4-63.70000112M202 M205 A206 D305 D306 E307 F312 F313M202-T309 HydrophobicContact CB-CG2 4.2Å; M202-T309 VanDerWaalsContact O-CG2 3.23Å; M202-T309 WeakPolarHBondContact O-CG2 3.46Å; M205-T309 HydrophobicContact CB-CG2 4.44Å; M205-T309 VanDerWaalsContact CE-CB 3.46Å; M205-T309 HydrophobicContact CE-CG2 3.54Å; M205-T309 WeakPolarHBondContact CE-OG1 3.49Å; A206-T309 HydrophobicContact CB-CG2 3.78Å; D305-T309 WeakPolarHBondContact O-CB 3.36Å; D305-T309 PolarHBondContact O-N 3Å; D305-T309 PolarHBondContact O-OG1 3.2Å; D306-T309 PolarHBondContact O-N 3.24Å; E307-T309 PolarHBondContact O-N 3.06Å; T309-F312 PolarHBondContact O-N 3.28Å; T309-F313 PolarHBondContact O-N 2.81Å
310E97.6Very high96.7Very high43 Ų4356.6 Ų56.620%0.20127%0.271CS..Hα-helixtrans-67.4-42.5175.8-69.6-56.1151.300112.7K209 H210 D306 E307 F312 F313 S314K209-E310 WeakPolarHBondContact CD-OE1 3.45Å; K209-E310 WeakPolarHBondContact CE-OE1 3.29Å; K209-E310 VanDerWaalsContact NZ-CD 3.3Å; K209-E310 IonicContact NZ-OE1 2.78Å; K209-E310 PolarHBondContact NZ-OE1 3.31Å; H210-E310 IonicContact CD2-OE2 3.1Å; H210-E310 IonicContact CE1-OE2 2.74Å; H210-E310 IonicContact NE2-OE1 3.2Å; H210-E310 IonicContact NE2-OE2 3.1Å; H210-E310 PolarHBondContact NE2-OE2 3.37Å; D306-E310 PolarHBondContact O-N 3.15Å; D306-E310 VanDerWaalsContact O-N 3.16Å; E307-E310 PolarHBondContact O-N 2.72Å; E310-F312 VanDerWaalsContact C-N 3.27Å; E310-F312 PolarHBondContact O-N 3.36Å; E310-F313 PolarHBondContact O-N 3.36Å; E310-S314 PolarHBondContact O-N 3.05Å; E310-S314 PolarHBondContact O-OG 2.97Å
311V98.1Very high96.7Very high63 Ų6359.3 Ų59.338%0.38228%0.281SS..Hα-helixtrans-61-42.3174.7174.90000110I181 E307 M308 S314 K315I181-V311 HydrophobicContact CD1-CB 4.47Å; I181-V311 HydrophobicContact CD1-CG1 4.09Å; I181-V311 HydrophobicContact CG1-CG1 3.86Å; E307-V311 WeakPolarHBondContact O-CG2 3.44Å; E307-V311 PolarHBondContact O-N 3.36Å; M308-V311 PolarHBondContact O-N 3.18Å; V311-S314 PolarHBondContact O-N 3.44Å; V311-K315 HydrophobicContact CG1-CD 4.4Å; V311-K315 WeakPolarHBondContact O-CG 3.05Å; V311-K315 PolarHBondContact O-N 2.89Å
312F98.4Very high96.8Very high0 Ų054.4 Ų54.40%027%0.267CS..Hα-helixtrans-62.9-46.4178174.3-117.8000112.1L143 F179 I181 I184 A199 M202 L203 M308 T309 E310 S314 K315 L316L143-F312 HydrophobicContact CD2-CE2 4.46Å; L143-F312 HydrophobicContact CD2-CZ 3.69Å; F179-F312 HydrophobicContact CE2-CD2 4.31Å; F179-F312 HydrophobicContact CE2-CE2 4.03Å; F179-F312 AromaticContact CZ-CD2 3.67Å; F179-F312 HydrophobicContact CZ-CD2 3.67Å; F179-F312 AromaticContact CZ-CE2 3.87Å; F179-F312 HydrophobicContact CZ-CE2 3.87Å; F179-F312 HydrophobicContact CZ-CG 4.35Å; I181-F312 HydrophobicContact CD1-CB 3.67Å; I181-F312 HydrophobicContact CD1-CD2 4.31Å; I181-F312 HydrophobicContact CD1-CG 4.47Å; I184-F312 HydrophobicContact CB-CD2 4.38Å; I184-F312 HydrophobicContact CB-CE2 4.1Å; I184-F312 HydrophobicContact CG2-CD2 3.92Å; I184-F312 HydrophobicContact CG2-CE2 4.16Å; A199-F312 HydrophobicContact CB-CE1 4.22Å; A199-F312 HydrophobicContact CB-CE2 4.37Å; A199-F312 HydrophobicContact CB-CZ 3.68Å; A199-F312 WeakPolarHBondContact O-CE1 3.24Å; M202-F312 HydrophobicContact CB-CD1 3.88Å; M202-F312 HydrophobicContact CB-CE1 4.2Å; M202-F312 HydrophobicContact CE-CD1 3.94Å; M202-F312 HydrophobicContact CE-CD2 4.47Å; M202-F312 HydrophobicContact CE-CE1 4.21Å; M202-F312 HydrophobicContact CE-CG 4.06Å; L203-F312 HydrophobicContact CB-CE1 4.22Å; M308-F312 WeakPolarHBondContact O-CB 3.45Å; M308-F312 PolarHBondContact O-N 3.16Å; T309-F312 PolarHBondContact O-N 3.28Å; E310-F312 VanDerWaalsContact C-N 3.27Å; E310-F312 PolarHBondContact O-N 3.36Å; F312-S314 VanDerWaalsContact C-N 3.31Å; F312-S314 PolarHBondContact O-N 3Å; F312-K315 PolarHBondContact O-N 2.78Å; F312-L316 HydrophobicContact CD1-CD1 4.28Å; F312-L316 HydrophobicContact CE1-CD1 3.68Å; F312-L316 HydrophobicContact CE1-CG 4.39Å; F312-L316 HydrophobicContact CE2-CD1 4.23Å; F312-L316 HydrophobicContact CE2-CD2 4.21Å; F312-L316 HydrophobicContact CE2-CG 4.07Å; F312-L316 HydrophobicContact CZ-CD1 3.65Å; F312-L316 HydrophobicContact CZ-CD2 4.17Å; F312-L316 HydrophobicContact CZ-CG 4Å; F312-L316 PolarHBondContact O-N 3.27Å
313F98.4Very high96.7Very high13 Ų1354.5 Ų54.56%0.05727%0.268CS..Hα-helixtrans-60.3-41.9176.5-174-110.6000111.8F147 L203 A206 L207 H210 T309 E310 K315 L316 L317F147-F313 HydrophobicContact CE2-CD2 4.45Å; F147-F313 AromaticContact CE2-CE2 3.93Å; F147-F313 HydrophobicContact CE2-CE2 3.93Å; L203-F313 HydrophobicContact CD1-CD2 3.83Å; L203-F313 HydrophobicContact CD1-CE2 4.09Å; A206-F313 HydrophobicContact CB-CB 3.92Å; A206-F313 HydrophobicContact CB-CD2 3.87Å; A206-F313 HydrophobicContact CB-CG 3.98Å; L207-F313 HydrophobicContact CD2-CE2 4.29Å; H210-F313 AromaticContact CD2-CD1 3.86Å; H210-F313 AromaticContact CD2-CE1 3.8Å; H210-F313 AromaticContact CG-CE1 3.99Å; H210-F313 AromaticContact NE2-CD1 3.76Å; H210-F313 AromaticContact NE2-CE1 3.99Å; T309-F313 PolarHBondContact O-N 2.81Å; E310-F313 PolarHBondContact O-N 3.36Å; F313-K315 PolarHBondContact O-N 3.21Å; F313-L316 PolarHBondContact O-N 3.08Å; F313-L317 HydrophobicContact CD1-CD1 4.03Å; F313-L317 HydrophobicContact CE1-CD1 3.75Å; F313-L317 HydrophobicContact CE1-CG 4.39Å; F313-L317 HydrophobicContact CZ-CD1 4.34Å; F313-L317 PolarHBondContact O-N 2.81Å; F313-L317 VanDerWaalsContact O-N 3.11Å
314S98.3Very high96.7Very high56 Ų5652.6 Ų52.639%0.39225%0.253SS..Hα-helixtrans-61-43175.4-58.90000112.2E310 V311 F312 L316 L317 E318E310-S314 PolarHBondContact O-N 3.05Å; E310-S314 PolarHBondContact O-OG 2.97Å; V311-S314 PolarHBondContact O-N 3.44Å; F312-S314 VanDerWaalsContact C-N 3.31Å; F312-S314 PolarHBondContact O-N 3Å; S314-L316 VanDerWaalsContact C-N 3.34Å; S314-L316 PolarHBondContact O-N 3.21Å; S314-L317 WeakPolarHBondContact O-CB 3.47Å; S314-L317 PolarHBondContact O-N 3.4Å; S314-E318 WeakPolarHBondContact O-CG 3.32Å; S314-E318 PolarHBondContact O-N 3.39Å
315K98.4Very high96.6Very high72 Ų7259.5 Ų59.531%0.31328%0.278SS..Hα-helixtrans-63.8-35.2175.4-74177.9171.2-69.50113.1I181 I184 V311 F312 F313 E318 L319I181-K315 HydrophobicContact CD1-CD 4.09Å; I181-K315 HydrophobicContact CG1-CD 4.38Å; I181-K315 VanDerWaalsContact O-CE 3.25Å; I181-K315 WeakPolarHBondContact O-CE 3.46Å; I184-K315 HydrophobicContact CD1-CB 4.08Å; I184-K315 HydrophobicContact CG2-CD 3.91Å; V311-K315 HydrophobicContact CG1-CD 4.4Å; V311-K315 WeakPolarHBondContact O-CG 3.05Å; V311-K315 PolarHBondContact O-N 2.89Å; F312-K315 PolarHBondContact O-N 2.78Å; F313-K315 PolarHBondContact O-N 3.21Å; K315-E318 PolarHBondContact O-N 3.48Å; K315-L319 WeakPolarHBondContact O-CB 3.49Å; K315-L319 PolarHBondContact O-N 3.07Å
316L98.4Very high96.4Very high0 Ų060.2 Ų60.20%028%0.282CS..Hα-helixtrans-65.3-40.5174.1-72176.1000111.7F139 L143 F144 F147 I184 L203 F312 F313 S314 L319 E320F139-L316 HydrophobicContact CE2-CD2 4.31Å; F139-L316 HydrophobicContact CZ-CD2 3.89Å; L143-L316 HydrophobicContact CD2-CD2 4.09Å; F144-L316 HydrophobicContact CD2-CD2 4.16Å; F147-L316 HydrophobicContact CD1-CB 4.26Å; F147-L316 HydrophobicContact CD2-CD1 4.26Å; F147-L316 HydrophobicContact CE1-CB 3.88Å; F147-L316 HydrophobicContact CE2-CB 4.24Å; F147-L316 HydrophobicContact CG-CD1 4.39Å; F147-L316 HydrophobicContact CZ-CB 3.86Å; I184-L316 HydrophobicContact CD1-CD2 4.44Å; L203-L316 HydrophobicContact CD1-CD1 3.94Å; L203-L316 HydrophobicContact CD2-CD1 4.18Å; F312-L316 HydrophobicContact CD1-CD1 4.28Å; F312-L316 HydrophobicContact CE1-CD1 3.68Å; F312-L316 HydrophobicContact CE1-CG 4.39Å; F312-L316 HydrophobicContact CE2-CD1 4.23Å; F312-L316 HydrophobicContact CE2-CD2 4.21Å; F312-L316 HydrophobicContact CE2-CG 4.07Å; F312-L316 HydrophobicContact CZ-CD1 3.65Å; F312-L316 HydrophobicContact CZ-CD2 4.17Å; F312-L316 HydrophobicContact CZ-CG 4Å; F312-L316 PolarHBondContact O-N 3.27Å; F313-L316 PolarHBondContact O-N 3.08Å; S314-L316 VanDerWaalsContact C-N 3.34Å; S314-L316 PolarHBondContact O-N 3.21Å; L316-L319 PolarHBondContact O-N 3.48Å; L316-E320 WeakPolarHBondContact O-CB 3.37Å; L316-E320 PolarHBondContact O-N 2.99Å
317L98.3Very high96.2Very high36 Ų3658 Ų5819%0.18827%0.269CS..Hα-helixtrans-64.8-38.8174.9-67.7169.5000112.1F147 F313 S314 R321F147-L317 HydrophobicContact CZ-CD2 3.95Å; F147-L317 HydrophobicContact CZ-CG 4.39Å; F313-L317 HydrophobicContact CD1-CD1 4.03Å; F313-L317 HydrophobicContact CE1-CD1 3.75Å; F313-L317 HydrophobicContact CE1-CG 4.39Å; F313-L317 HydrophobicContact CZ-CD1 4.34Å; F313-L317 PolarHBondContact O-N 2.81Å; F313-L317 VanDerWaalsContact O-N 3.11Å; S314-L317 WeakPolarHBondContact O-CB 3.47Å; S314-L317 PolarHBondContact O-N 3.4Å; L317-R321 WeakPolarHBondContact O-CG 3.21Å; L317-R321 PolarHBondContact O-N 2.83Å
318E98.1Very high95.8Very high109 Ų10954.5 Ų54.551%0.50926%0.262SS..Hα-helixtrans-63.3-46.5173.4-72173.9179.100111.8S314 K315 E320 R321 E322S314-E318 WeakPolarHBondContact O-CG 3.32Å; S314-E318 PolarHBondContact O-N 3.39Å; K315-E318 PolarHBondContact O-N 3.48Å; E318-E320 VanDerWaalsContact C-N 3.34Å; E318-E320 PolarHBondContact O-N 2.82Å; E318-R321 PolarHBondContact O-N 2.92Å; E318-E322 PolarHBondContact O-N 2.97Å
319L97.8Very high95.3Very high12 Ų1258.8 Ų58.86%0.06328%0.279CS..Hα-helixtrans-62.2-40.5177.4-177.461.6000111.7L135 F139 F144 I184 K315 L316 R321 E322 V323L135-L319 HydrophobicContact CD2-CD1 4.19Å; L135-L319 HydrophobicContact CD2-CD2 4.45Å; F139-L319 HydrophobicContact CE1-CD2 3.64Å; F139-L319 HydrophobicContact CZ-CD2 3.8Å; F144-L319 HydrophobicContact CD2-CD2 3.87Å; F144-L319 HydrophobicContact CD2-CG 4.41Å; F144-L319 HydrophobicContact CE2-CB 4.15Å; F144-L319 HydrophobicContact CE2-CD2 3.74Å; F144-L319 HydrophobicContact CE2-CG 3.77Å; F144-L319 HydrophobicContact CG-CD2 4.39Å; F144-L319 HydrophobicContact CZ-CD2 4.14Å; F144-L319 HydrophobicContact CZ-CG 3.87Å; I184-L319 HydrophobicContact CD1-CD2 4.36Å; K315-L319 WeakPolarHBondContact O-CB 3.49Å; K315-L319 PolarHBondContact O-N 3.07Å; L316-L319 PolarHBondContact O-N 3.48Å; L319-R321 VanDerWaalsContact C-N 3.35Å; L319-R321 PolarHBondContact O-N 3.39Å; L319-E322 PolarHBondContact O-N 3.49Å; L319-V323 HydrophobicContact CD1-CG2 4.13Å; L319-V323 HydrophobicContact CG-CG2 4.31Å; L319-V323 WeakPolarHBondContact O-CB 3.43Å; L319-V323 WeakPolarHBondContact O-CG2 3.33Å; L319-V323 PolarHBondContact O-N 3.36Å
320E97.8Very high94.6Very high14 Ų1464.2 Ų64.27%0.06530%0.303CS..Hα-helixtrans-55-49.1172.5169.9179.1-16300111.3F147 L148 R151 L316 E318 E322 V323 R324F147-E320 HydrophobicContact CE1-CB 4.08Å; L148-E320 HydrophobicContact CD2-CB 4.07Å; L148-E320 HydrophobicContact CD2-CG 3.72Å; R151-E320 IonicContact NE-OE2 3.37Å; R151-E320 PolarHBondContact NE-OE2 3.37Å; L316-E320 WeakPolarHBondContact O-CB 3.37Å; L316-E320 PolarHBondContact O-N 2.99Å; E318-E320 VanDerWaalsContact C-N 3.34Å; E318-E320 PolarHBondContact O-N 2.82Å; E320-E322 VanDerWaalsContact C-N 3.31Å; E320-E322 PolarHBondContact O-N 2.98Å; E320-V323 PolarHBondContact O-N 3.35Å; E320-R324 HydrophobicContact CG-CG 4.5Å; E320-R324 WeakPolarHBondContact O-CB 3.13Å; E320-R324 VanDerWaalsContact O-CG 3.31Å; E320-R324 WeakPolarHBondContact O-CG 3.26Å; E320-R324 PolarHBondContact O-N 3.42Å; E320-R324 IonicContact OE1-CZ 3.19Å; E320-R324 IonicContact OE1-NE 3.13Å; E320-R324 PolarHBondContact OE1-NE 2.84Å; E320-R324 IonicContact OE1-NH2 3.43Å; E320-R324 PolarHBondContact OE1-NH2 2.91Å
321R97.2Very high93.9Very high155 Ų15565.1 Ų65.159%0.58531%0.311SS*.Hα-helixtrans-63-37.9178.5-66.6171.9-166.7146.32.2112L317 E318 L319 R325L317-R321 WeakPolarHBondContact O-CG 3.21Å; L317-R321 PolarHBondContact O-N 2.83Å; E318-R321 PolarHBondContact O-N 2.92Å; L319-R321 VanDerWaalsContact C-N 3.35Å; L319-R321 PolarHBondContact O-N 3.39Å; R321-R325 WeakPolarHBondContact O-CB 3.43Å; R321-R325 VanDerWaalsContact O-CG 3.27Å; R321-R325 WeakPolarHBondContact O-CG 3.41Å; R321-R325 PolarHBondContact O-N 3.15Å; R321-R325 VanDerWaalsContact O-N 3.15Å; R321-R325 PolarHBondContact O-NE 3.11Å
322E95.9Very high93Very high94 Ų9464.5 Ų64.544%0.43931%0.313SS..Hα-helixtrans-64.9-50.7175.9-172.6-177.2165.500111.8E318 L319 E320 R324 R325 N326E318-E322 PolarHBondContact O-N 2.97Å; L319-E322 PolarHBondContact O-N 3.49Å; E320-E322 VanDerWaalsContact C-N 3.31Å; E320-E322 PolarHBondContact O-N 2.98Å; E322-R324 VanDerWaalsContact C-N 3.34Å; E322-R324 PolarHBondContact O-N 3.16Å; E322-R325 PolarHBondContact O-N 3.27Å; E322-N326 PolarHBondContact O-N 3.09Å; E322-N326 PolarHBondContact O-ND2 3.45Å
323V94.6Very high92.2Very high14 Ų1470 Ų709%0.08534%0.342CS..Hα-helixtrans-60.1-44.1-180166.60000111.2V67 L135 F144 L319 E320 R325 N326 L327V67-V323 HydrophobicContact CB-CG1 4.22Å; V67-V323 HydrophobicContact CG1-CG1 3.69Å; V67-V323 HydrophobicContact CG2-CG1 3.6Å; L135-V323 HydrophobicContact CD1-CG2 4.38Å; L135-V323 HydrophobicContact CD2-CG2 4.44Å; F144-V323 HydrophobicContact CE1-CB 4.37Å; F144-V323 HydrophobicContact CE1-CG1 4.28Å; F144-V323 HydrophobicContact CE1-CG2 3.9Å; F144-V323 HydrophobicContact CZ-CB 4.26Å; F144-V323 HydrophobicContact CZ-CG2 3.93Å; L319-V323 HydrophobicContact CD1-CG2 4.13Å; L319-V323 HydrophobicContact CG-CG2 4.31Å; L319-V323 WeakPolarHBondContact O-CB 3.43Å; L319-V323 WeakPolarHBondContact O-CG2 3.33Å; L319-V323 PolarHBondContact O-N 3.36Å; E320-V323 PolarHBondContact O-N 3.35Å; V323-R325 PolarHBondContact O-N 2.89Å; V323-N326 PolarHBondContact O-N 3.26Å; V323-L327 PolarHBondContact O-N 2.96Å
324R92.9Very high91.2Very high76 Ų7672.6 Ų72.629%0.28736%0.363SS..Hα-helixtrans-62-44176.6-72.6-179.6-172.8-81-0.1112.3E152 E320 E322 N326 L327 S328E152-R324 IonicContact OE1-CZ 3.52Å; E152-R324 IonicContact OE1-NH1 2.86Å; E152-R324 PolarHBondContact OE1-NH1 2.81Å; E152-R324 IonicContact OE1-NH2 2.78Å; E152-R324 PolarHBondContact OE1-NH2 2.81Å; E320-R324 HydrophobicContact CG-CG 4.5Å; E320-R324 WeakPolarHBondContact O-CB 3.13Å; E320-R324 VanDerWaalsContact O-CG 3.31Å; E320-R324 WeakPolarHBondContact O-CG 3.26Å; E320-R324 PolarHBondContact O-N 3.42Å; E320-R324 IonicContact OE1-CZ 3.19Å; E320-R324 IonicContact OE1-NE 3.13Å; E320-R324 PolarHBondContact OE1-NE 2.84Å; E320-R324 IonicContact OE1-NH2 3.43Å; E320-R324 PolarHBondContact OE1-NH2 2.91Å; E322-R324 VanDerWaalsContact C-N 3.34Å; E322-R324 PolarHBondContact O-N 3.16Å; R324-N326 VanDerWaalsContact C-N 3.31Å; R324-N326 PolarHBondContact O-N 3.23Å; R324-L327 PolarHBondContact O-N 2.87Å; R324-S328 PolarHBondContact O-N 2.65Å; R324-S328 PolarHBondContact O-OG 3.18Å
325R92.3Very high90.5Very high158 Ų15876 Ų7660%0.59637%0.372SS*.Hα-helixtrans-60.1-41.8175.4-76.6-177.5-63.2157.61.3111.8R321 E322 V323 L327 K329R321-R325 WeakPolarHBondContact O-CB 3.43Å; R321-R325 VanDerWaalsContact O-CG 3.27Å; R321-R325 WeakPolarHBondContact O-CG 3.41Å; R321-R325 PolarHBondContact O-N 3.15Å; R321-R325 VanDerWaalsContact O-N 3.15Å; R321-R325 PolarHBondContact O-NE 3.11Å; E322-R325 PolarHBondContact O-N 3.27Å; V323-R325 PolarHBondContact O-N 2.89Å; R325-L327 VanDerWaalsContact C-N 3.35Å; R325-K329 WeakPolarHBondContact O-CG 3.16Å; R325-K329 PolarHBondContact O-N 3.1Å
326N90.1Very high89.5Confident72 Ų7279.1 Ų79.139%0.38539%0.388SS..Hα-helixtrans-67.3-37.3178.6-68.7-17.5000111.7E322 V323 R324 K329 K330E322-N326 PolarHBondContact O-N 3.09Å; E322-N326 PolarHBondContact O-ND2 3.45Å; V323-N326 PolarHBondContact O-N 3.26Å; R324-N326 VanDerWaalsContact C-N 3.31Å; R324-N326 PolarHBondContact O-N 3.23Å; N326-K329 PolarHBondContact O-N 3.21Å; N326-K330 WeakPolarHBondContact O-CG 3.35Å; N326-K330 PolarHBondContact O-N 3.16Å; N326-K330 VanDerWaalsContact O-N 3.09Å
327L88.3Confident88.5Confident33 Ų3385.6 Ų85.617%0.17341%0.413CS..Hα-helixtrans-65.4-47.8176.1-166.971000111.5V67 L71 V323 R324 R325 K329 K330 T331V67-L327 HydrophobicContact CG1-CD2 4.31Å; L71-L327 HydrophobicContact CD1-CD2 3.48Å; L71-L327 VanDerWaalsContact CD1-CD2 3.48Å; V323-L327 PolarHBondContact O-N 2.96Å; R324-L327 PolarHBondContact O-N 2.87Å; R325-L327 VanDerWaalsContact C-N 3.35Å; L327-K329 VanDerWaalsContact C-N 3.28Å; L327-K329 PolarHBondContact O-N 2.87Å; L327-K330 PolarHBondContact O-N 3.44Å; L327-K330 VanDerWaalsContact O-N 3.15Å; L327-T331 PolarHBondContact O-N 3.48Å; L327-T331 PolarHBondContact O-OG1 2.95Å; L327-T331 VanDerWaalsContact O-OG1 3.13Å
328S86.3Confident87.3Confident81 Ų8188.6 Ų88.657%0.56643%0.426SS*.Hα-helixtrans-58.7-38.4177.5-58.70000112.8R324 T331 A332R324-S328 PolarHBondContact O-N 2.65Å; R324-S328 PolarHBondContact O-OG 3.18Å; S328-T331 PolarHBondContact O-N 3.07Å; S328-A332 PolarHBondContact O-N 3.17Å
329K86.3Confident86.3Confident132 Ų13288.9 Ų88.957%0.57443%0.427SS*.Hα-helixtrans-63.7-48.8174.3-72.3176.4179.1-1770111.9R325 N326 L327 T331 A332 D333R325-K329 WeakPolarHBondContact O-CG 3.16Å; R325-K329 PolarHBondContact O-N 3.1Å; N326-K329 PolarHBondContact O-N 3.21Å; L327-K329 VanDerWaalsContact C-N 3.28Å; L327-K329 PolarHBondContact O-N 2.87Å; K329-T331 VanDerWaalsContact C-N 3.27Å; K329-T331 PolarHBondContact O-N 2.78Å; K329-A332 PolarHBondContact O-N 2.7Å; K329-D333 VanDerWaalsContact O-CG 3.26Å; K329-D333 PolarHBondContact O-N 3.13Å
330K83.2Confident85.5Confident115 Ų11594.1 Ų94.150%0.545%0.447SS..Hα-helixtrans-57.3-40.2177.2-75.6-179.5178.3-178.10112N326 L327 S334N326-K330 WeakPolarHBondContact O-CG 3.35Å; N326-K330 PolarHBondContact O-N 3.16Å; N326-K330 VanDerWaalsContact O-N 3.09Å; L327-K330 PolarHBondContact O-N 3.44Å; L327-K330 VanDerWaalsContact O-N 3.15Å; K330-S334 WeakPolarHBondContact O-CB 3.21Å; K330-S334 PolarHBondContact O-N 3.05Å
331T81.9Confident84.7Confident62 Ų6295.9 Ų95.938%0.3846%0.457SS..Hα-helixtrans-65.8-47.7177.1-53.70000111.5L327 S328 K329 D333 S334 E335L327-T331 PolarHBondContact O-N 3.48Å; L327-T331 PolarHBondContact O-OG1 2.95Å; L327-T331 VanDerWaalsContact O-OG1 3.13Å; S328-T331 PolarHBondContact O-N 3.07Å; K329-T331 VanDerWaalsContact C-N 3.27Å; K329-T331 PolarHBondContact O-N 2.78Å; T331-D333 VanDerWaalsContact C-N 3.34Å; T331-D333 PolarHBondContact O-N 2.8Å; T331-S334 PolarHBondContact O-N 3Å; T331-E335 WeakPolarHBondContact O-CG 3.11Å; T331-E335 PolarHBondContact O-N 3.4Å
332A80.5Confident84Confident51 Ų5193.3 Ų93.342%0.42146%0.455SS..Hα-helixtrans-60.4-42.2178.100000112.4S328 K329 S334 E335 H336S328-A332 PolarHBondContact O-N 3.17Å; K329-A332 PolarHBondContact O-N 2.7Å; A332-S334 VanDerWaalsContact C-N 3.34Å; A332-S334 PolarHBondContact O-N 3.44Å; A332-E335 PolarHBondContact O-N 2.99Å; A332-H336 WeakPolarHBondContact O-CB 3.44Å; A332-H336 PolarHBondContact O-N 2.91Å
333D80.4Confident83.3Confident114 Ų11495.1 Ų95.161%0.6146%0.463SS*.Hα-helixtrans-64.2-39.7176.9-66-20.2000111.5K329 T331 Y337K329-D333 VanDerWaalsContact O-CG 3.26Å; K329-D333 PolarHBondContact O-N 3.13Å; T331-D333 VanDerWaalsContact C-N 3.34Å; T331-D333 PolarHBondContact O-N 2.8Å; D333-Y337 WeakPolarHBondContact O-CB 3.45Å; D333-Y337 PolarHBondContact O-N 3Å
334S78.8Confident82.8Confident69 Ų6999.4 Ų99.448%0.48349%0.485SS..Hα-helixtrans-67.7-41.1176.9-175.50000112.5K330 T331 A332 Y337 Q338K330-S334 WeakPolarHBondContact O-CB 3.21Å; K330-S334 PolarHBondContact O-N 3.05Å; T331-S334 PolarHBondContact O-N 3Å; A332-S334 VanDerWaalsContact C-N 3.34Å; A332-S334 PolarHBondContact O-N 3.44Å; S334-Y337 PolarHBondContact O-N 3.3Å; S334-Q338 WeakPolarHBondContact O-CG 3.4Å; S334-Q338 PolarHBondContact O-N 3.24Å
335E82.4Confident81.4Confident128 Ų128106.2 Ų106.260%0.59852%0.519SS*.Hα-helixtrans-64.8-45.1176.5-74.8174.9-177.900110.9T331 A332 Y337 Q338 Q339T331-E335 WeakPolarHBondContact O-CG 3.11Å; T331-E335 PolarHBondContact O-N 3.4Å; A332-E335 PolarHBondContact O-N 2.99Å; E335-Y337 VanDerWaalsContact C-N 3.32Å; E335-Y337 PolarHBondContact O-N 2.77Å; E335-Q338 PolarHBondContact O-N 3.47Å; E335-Q339 WeakPolarHBondContact O-CB 3.37Å; E335-Q339 PolarHBondContact O-N 3.39Å
336H79Confident80.9Confident136 Ų136103.6 Ų103.663%0.6352%0.516SS*.Hα-helixtrans-61-41175.9-173.9-78.4000111.9A332 Q339 Y340A332-H336 WeakPolarHBondContact O-CB 3.44Å; A332-H336 PolarHBondContact O-N 2.91Å; H336-Q339 PolarHBondContact O-N 2.88Å; H336-Y340 PolarHBondContact O-N 3.07Å
337Y75.9Confident80.4Confident137 Ų137105.3 Ų105.354%0.53752%0.522SS..Hα-helixtrans-66.2-42176.3-177.4-109.2000112.6D333 S334 E335 Q339 Y340 L341D333-Y337 WeakPolarHBondContact O-CB 3.45Å; D333-Y337 PolarHBondContact O-N 3Å; S334-Y337 PolarHBondContact O-N 3.3Å; E335-Y337 VanDerWaalsContact C-N 3.32Å; E335-Y337 PolarHBondContact O-N 2.77Å; Y337-Q339 VanDerWaalsContact C-N 3.34Å; Y337-Y340 PolarHBondContact O-N 3.14Å; Y337-L341 HydrophobicContact CD1-CD1 4.04Å; Y337-L341 HydrophobicContact CD1-CG 4.47Å; Y337-L341 HydrophobicContact CE1-CD1 3.53Å; Y337-L341 HydrophobicContact CE1-CG 4.1Å; Y337-L341 WeakPolarHBondContact O-CG 3.49Å; Y337-L341 PolarHBondContact O-N 3.49Å
338Q73.1Confident80Confident98 Ų98109.3 Ų109.346%0.45854%0.542SS..Hα-helixtrans-64.6-39.3175.2-76.2-65.6-26.800112.1S334 E335 L341 N342S334-Q338 WeakPolarHBondContact O-CG 3.4Å; S334-Q338 PolarHBondContact O-N 3.24Å; E335-Q338 PolarHBondContact O-N 3.47Å; Q338-L341 PolarHBondContact O-N 2.97Å; Q338-N342 VanDerWaalsContact O-CG 3.27Å; Q338-N342 PolarHBondContact O-N 2.97Å; Q338-N342 PolarHBondContact O-ND2 3.46Å
339Q77.3Confident79.6Confident115 Ų115110.9 Ų110.954%0.53754%0.54SS..Hα-helixtrans-62.5-45.4174.5-172.5177.7-19.600111.5E335 H336 Y337 L341 N342 E343E335-Q339 WeakPolarHBondContact O-CB 3.37Å; E335-Q339 PolarHBondContact O-N 3.39Å; H336-Q339 PolarHBondContact O-N 2.88Å; Y337-Q339 VanDerWaalsContact C-N 3.34Å; Q339-L341 VanDerWaalsContact C-N 3.33Å; Q339-L341 PolarHBondContact O-N 3.43Å; Q339-N342 PolarHBondContact O-N 2.83Å; Q339-N342 VanDerWaalsContact O-N 3.15Å; Q339-E343 PolarHBondContact NE2-OE1 3.21Å; Q339-E343 VanDerWaalsContact NE2-OE1 3.13Å; Q339-E343 WeakPolarHBondContact O-CG 3.42Å; Q339-E343 PolarHBondContact O-N 3.49Å
340Y81.5Confident79.2Confident123 Ų123109.6 Ų109.648%0.48254%0.538SS..Hα-helixtrans-57.2-43.7173.9173.4-101000112.5H336 Y337 N342 E343 I344H336-Y340 PolarHBondContact O-N 3.07Å; Y337-Y340 PolarHBondContact O-N 3.14Å; Y340-N342 VanDerWaalsContact C-N 3.3Å; Y340-N342 PolarHBondContact O-N 3.39Å; Y340-E343 PolarHBondContact O-N 3.22Å; Y340-I344 HydrophobicContact CD1-CD1 4.43Å; Y340-I344 HydrophobicContact CE1-CD1 3.96Å; Y340-I344 HydrophobicContact CE2-CG2 4.18Å; Y340-I344 WeakPolarHBondContact O-CG1 3.31Å; Y340-I344 PolarHBondContact O-N 3.11Å
341L81.7Confident78.9Confident50 Ų50109.3 Ų109.326%0.26254%0.541SS..Hα-helixtrans-63-34.9176.8-73.7-178.4000113.2Y337 Q338 Q339 I344Y337-L341 HydrophobicContact CD1-CD1 4.04Å; Y337-L341 HydrophobicContact CD1-CG 4.47Å; Y337-L341 HydrophobicContact CE1-CD1 3.53Å; Y337-L341 HydrophobicContact CE1-CG 4.1Å; Y337-L341 WeakPolarHBondContact O-CG 3.49Å; Y337-L341 PolarHBondContact O-N 3.49Å; Q338-L341 PolarHBondContact O-N 2.97Å; Q339-L341 VanDerWaalsContact C-N 3.33Å; Q339-L341 PolarHBondContact O-N 3.43Å; L341-I344 HydrophobicContact CD2-CD1 3.96Å; L341-I344 VanDerWaalsContact O-CG1 3.23Å; L341-I344 WeakPolarHBondContact O-CG1 3.43Å
342N81.6Confident78.7Confident102 Ų102112.6 Ų112.655%0.54555%0.552SS.*Hα-helixtrans-75.2-25.7177-67.8-25.9000112.7Q338 Q339 Y340 I344Q338-N342 VanDerWaalsContact O-CG 3.27Å; Q338-N342 PolarHBondContact O-N 2.97Å; Q338-N342 PolarHBondContact O-ND2 3.46Å; Q339-N342 PolarHBondContact O-N 2.83Å; Q339-N342 VanDerWaalsContact O-N 3.15Å; Y340-N342 VanDerWaalsContact C-N 3.3Å; Y340-N342 PolarHBondContact O-N 3.39Å; N342-I344 VanDerWaalsContact C-N 3.34Å
343E81.3Confident78.6Confident132 Ų132117.4 Ų117.462%0.61756%0.562SS**Hα-helixtrans-78.5-16.3177.2-73.3174.2-170.600113.3Q339 Y340Q339-E343 PolarHBondContact NE2-OE1 3.21Å; Q339-E343 VanDerWaalsContact NE2-OE1 3.13Å; Q339-E343 WeakPolarHBondContact O-CG 3.42Å; Q339-E343 PolarHBondContact O-N 3.49Å; Y340-E343 PolarHBondContact O-N 3.22Å
344I84.4Confident78.4Confident104 Ų104117.7 Ų117.753%0.53356%0.558SS.*THydrogen-bonded Turntrans-103.12.8179.463.8175.3000114.1Y340 L341 N342Y340-I344 HydrophobicContact CD1-CD1 4.43Å; Y340-I344 HydrophobicContact CE1-CD1 3.96Å; Y340-I344 HydrophobicContact CE2-CG2 4.18Å; Y340-I344 WeakPolarHBondContact O-CG1 3.31Å; Y340-I344 PolarHBondContact O-N 3.11Å; L341-I344 HydrophobicContact CD2-CD1 3.96Å; L341-I344 VanDerWaalsContact O-CG1 3.23Å; L341-I344 WeakPolarHBondContact O-CG1 3.43Å; N342-I344 VanDerWaalsContact C-N 3.34Å
345Q63.7Low78.4Confident218 Ų218122.1 Ų122.1100%1.01957%0.565SS**  trans-101.10169.6-74.4-175.3-10.700110.1

Retrieved 345 of 345 residues in 88.8 ms (Link to these results)

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