A0A077ZKL3_TRITR Loading...

2-dehydro-3-deoxy-phosphogluconate aldolase

AlphaFold DB (P0A955), UniProt , Accession A0A077ZKL3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 213 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
1M61.7Low90.4Very high99 Ų9979.7 Ų79.749%0.48839%0.393SS..  0138.90-69.1151-173.800109.2W4 T105 Y127 G128 L129M1-W4 HydrophobicContact SD-CD2 4.38Å; M1-W4 HydrophobicContact SD-CE3 4.19Å; M1-W4 HydrophobicContact SD-CH2 3.6Å; M1-W4 VanDerWaalsContact SD-CH2 3.6Å; M1-W4 HydrophobicContact SD-CZ2 3.78Å; M1-W4 HydrophobicContact SD-CZ3 3.8Å; M1-T105 HydrophobicContact CE-CG2 3.23Å; M1-T105 HydrophobicContact SD-CG2 3.82Å; M1-Y127 WeakPolarHBondContact CE-O 3.34Å; M1-G128 VanDerWaalsContact CE-C 3.47Å; M1-L129 HydrophobicContact CE-CD1 3.94Å; M1-L129 HydrophobicContact CE-CG 3.94Å
2K72.4Confident91.1Very high210 Ų21073.1 Ų73.191%0.91336%0.36SS*.  trans-96.4-5-179.2-68.4-175.6179.5-179.40113.9
3N91.1Very high91.6Very high87 Ų8773.6 Ų73.647%0.46537%0.37SS..SBendtrans-87.9-23.2-170.2-61.3-20.5000114T105 G107N3-T105 PolarHBondContact ND2-O 3.11Å; N3-G107 WeakPolarHBondContact CB-O 3.43Å
4W96Very high92.1Very high39 Ų3971 Ų7115%0.14836%0.36CS..  trans-91.2121.7-178.1-53.1-21.3000110.8M1 T6 A8 A104 T105 I109 P110 L129M1-W4 HydrophobicContact SD-CD2 4.38Å; M1-W4 HydrophobicContact SD-CE3 4.19Å; M1-W4 HydrophobicContact SD-CH2 3.6Å; M1-W4 VanDerWaalsContact SD-CH2 3.6Å; M1-W4 HydrophobicContact SD-CZ2 3.78Å; M1-W4 HydrophobicContact SD-CZ3 3.8Å; W4-T6 VanDerWaalsContact C-N 3.3Å; W4-T6 VanDerWaalsContact CB-O 3.3Å; W4-T6 WeakPolarHBondContact CB-O 2.77Å; W4-A8 HydrophobicContact CZ3-CB 4.27Å; W4-A104 PolarHBondContact NE1-O 2.93Å; W4-T105 HydrophobicContact CZ2-CG2 4.35Å; W4-I109 PolarHBondContact NE1-O 2.85Å; W4-I109 VanDerWaalsContact NE1-O 3.14Å; W4-P110 VanDerWaalsContact CD2-CA 3.48Å; W4-P110 HydrophobicContact CD2-CB 3.91Å; W4-P110 HydrophobicContact CE3-CB 3.53Å; W4-P110 HydrophobicContact CG-CB 4.49Å; W4-P110 HydrophobicContact CH2-CB 4.34Å; W4-P110 HydrophobicContact CZ3-CB 3.77Å; W4-L129 HydrophobicContact CH2-CD2 4.19Å
5K90.4Very high92.5Very high212 Ų21268.1 Ų68.192%0.92236%0.355SS*.SBendtrans-70.6-30.3171.4-72-169.5177.3-179.30112.3
6T93.5Very high92.9Very high49 Ų4966 Ų6630%0.30135%0.347SS..SBendtrans-108130.2175.7-52.60000108.4W4 S10 I11 P110W4-T6 VanDerWaalsContact C-N 3.3Å; W4-T6 VanDerWaalsContact CB-O 3.3Å; W4-T6 WeakPolarHBondContact CB-O 2.77Å; T6-S10 VanDerWaalsContact CG2-OG 3.29Å; T6-S10 WeakPolarHBondContact CG2-OG 3.37Å; T6-I11 HydrophobicContact CG2-CD1 3.64Å; T6-I11 HydrophobicContact CG2-CG1 4.05Å; T6-P110 WeakPolarHBondContact O-CD 3.49Å; T6-P110 WeakPolarHBondContact O-CG 3.4Å
7S96.9Very high93.2Very high55 Ų5562.4 Ų62.439%0.38533%0.328SS..  trans-82.9149176.967.80000111.1E9 S10 I11S7-E9 VanDerWaalsContact C-N 3.26Å; S7-E9 PolarHBondContact O-N 3.3Å; S7-S10 PolarHBondContact N-OG 2.87Å; S7-S10 PolarHBondContact O-N 2.96Å; S7-S10 VanDerWaalsContact O-N 3.09Å; S7-S10 PolarHBondContact O-OG 3.14Å; S7-S10 VanDerWaalsContact OG-CB 3.28Å; S7-S10 WeakPolarHBondContact OG-CB 3.44Å; S7-S10 PolarHBondContact OG-N 3.39Å; S7-S10 PolarHBondContact OG-OG 3.47Å; S7-I11 PolarHBondContact O-N 3.19Å
8A97.9Very high93.5Very high3 Ų359.1 Ų59.13%0.02531%0.311CS..Hα-helixtrans-55.6-43.6171.100000111.4W4 S10 I11 L12 P110 I112 E131W4-A8 HydrophobicContact CZ3-CB 4.27Å; A8-S10 VanDerWaalsContact C-N 3.33Å; A8-S10 PolarHBondContact O-N 2.7Å; A8-I11 WeakPolarHBondContact O-CB 3.19Å; A8-I11 PolarHBondContact O-N 2.98Å; A8-I11 VanDerWaalsContact O-N 3.16Å; A8-L12 WeakPolarHBondContact O-CG 3.19Å; A8-L12 PolarHBondContact O-N 3.42Å; A8-L12 VanDerWaalsContact O-N 3.08Å; A8-P110 HydrophobicContact CB-CB 4.06Å; A8-I112 HydrophobicContact CB-CD1 4.44Å; A8-I112 HydrophobicContact CB-CG1 3.87Å; A8-E131 HydrophobicContact CB-CB 3.87Å; A8-E131 HydrophobicContact CB-CG 4.27Å
9E98.1Very high93.8Very high78 Ų7855.9 Ų55.936%0.36429%0.294SS..Hα-helixtrans-52.1-47.6172.2-170.2171.3-151.600112.5S7 I11 L12 T13 K130 E131 L179S7-E9 VanDerWaalsContact C-N 3.26Å; S7-E9 PolarHBondContact O-N 3.3Å; E9-I11 VanDerWaalsContact C-N 3.28Å; E9-I11 PolarHBondContact O-N 3.33Å; E9-L12 PolarHBondContact O-N 3.31Å; E9-T13 HydrophobicContact CG-CG2 4.09Å; E9-T13 WeakPolarHBondContact O-CG2 3.23Å; E9-T13 PolarHBondContact O-N 2.86Å; E9-T13 PolarHBondContact O-OG1 2.88Å; E9-K130 IonicContact OE1-NZ 3.88Å; E9-K130 IonicContact OE2-NZ 2.82Å; E9-K130 PolarHBondContact OE2-NZ 3.43Å; E9-E131 HydrophobicContact CB-CG 4.23Å; E9-E131 PolarHBondContact N-OE2 3.02Å; E9-L179 HydrophobicContact CG-CD1 4.43Å
10S97.9Very high94Very high43 Ų4353.7 Ų53.730%0.30128%0.283SS..Hα-helixtrans-63.3-32-179.1700000113.7T6 S7 A8 T14T6-S10 VanDerWaalsContact CG2-OG 3.29Å; T6-S10 WeakPolarHBondContact CG2-OG 3.37Å; S7-S10 PolarHBondContact N-OG 2.87Å; S7-S10 PolarHBondContact O-N 2.96Å; S7-S10 VanDerWaalsContact O-N 3.09Å; S7-S10 PolarHBondContact O-OG 3.14Å; S7-S10 VanDerWaalsContact OG-CB 3.28Å; S7-S10 WeakPolarHBondContact OG-CB 3.44Å; S7-S10 PolarHBondContact OG-N 3.39Å; S7-S10 PolarHBondContact OG-OG 3.47Å; A8-S10 VanDerWaalsContact C-N 3.33Å; A8-S10 PolarHBondContact O-N 2.7Å; S10-T14 PolarHBondContact O-N 3.41Å; S10-T14 PolarHBondContact O-OG1 3.08Å
11I98.5Very high94.3Very high2 Ų251.1 Ų51.11%0.0127%0.269CS..Hα-helixtrans-65.2-51.3171.7-59.6-62.2000109.4T6 S7 A8 E9 T13 T14 V43 I68 F90 P110 I112T6-I11 HydrophobicContact CG2-CD1 3.64Å; T6-I11 HydrophobicContact CG2-CG1 4.05Å; S7-I11 PolarHBondContact O-N 3.19Å; A8-I11 WeakPolarHBondContact O-CB 3.19Å; A8-I11 PolarHBondContact O-N 2.98Å; A8-I11 VanDerWaalsContact O-N 3.16Å; E9-I11 VanDerWaalsContact C-N 3.28Å; E9-I11 PolarHBondContact O-N 3.33Å; I11-T13 PolarHBondContact O-N 3.33Å; I11-T14 WeakPolarHBondContact O-CB 3.21Å; I11-T14 PolarHBondContact O-N 3.19Å; I11-V43 HydrophobicContact CG2-CG1 3.77Å; I11-I68 HydrophobicContact CD1-CG2 3.68Å; I11-F90 HydrophobicContact CD1-CB 4.12Å; I11-F90 HydrophobicContact CD1-CD1 3.7Å; I11-F90 HydrophobicContact CD1-CE1 4.48Å; I11-F90 HydrophobicContact CD1-CG 4.15Å; I11-F90 HydrophobicContact CG1-CB 3.97Å; I11-F90 HydrophobicContact CG1-CD1 4.22Å; I11-F90 HydrophobicContact CG1-CG 4.2Å; I11-F90 HydrophobicContact CG2-CD1 3.94Å; I11-F90 HydrophobicContact CG2-CD2 4.14Å; I11-F90 HydrophobicContact CG2-CE1 4.13Å; I11-F90 HydrophobicContact CG2-CE2 4.33Å; I11-F90 HydrophobicContact CG2-CG 3.94Å; I11-F90 HydrophobicContact CG2-CZ 4.33Å; I11-P110 HydrophobicContact CG1-CG 4.23Å; I11-I112 HydrophobicContact CG2-CD1 4.44Å
12L98.6Very high96Very high0 Ų049.1 Ų49.10%026%0.262CS..Hα-helixtrans-72.3-26.6-174.3-59.1-171.2000113.7A8 E9 I112 E131 C159 L179 C180A8-L12 WeakPolarHBondContact O-CG 3.19Å; A8-L12 PolarHBondContact O-N 3.42Å; A8-L12 VanDerWaalsContact O-N 3.08Å; E9-L12 PolarHBondContact O-N 3.31Å; L12-I112 HydrophobicContact CD1-CG2 4.09Å; L12-I112 HydrophobicContact CD2-CG1 4.38Å; L12-I112 HydrophobicContact CD2-CG2 4.34Å; L12-E131 HydrophobicContact CD1-CB 3.82Å; L12-E131 HydrophobicContact CD1-CG 4.04Å; L12-C159 HydrophobicContact CD1-CB 4.22Å; L12-C159 HydrophobicContact CD2-CB 3.93Å; L12-L179 HydrophobicContact CB-CB 3.99Å; L12-L179 HydrophobicContact CB-CD1 3.86Å; L12-L179 HydrophobicContact CD1-CD1 4.33Å; L12-C180 WeakPolarHBondContact O-CB 3.18Å; L12-C180 PolarHBondContact O-SG 3.05Å; L12-C180 VanDerWaalsContact O-SG 3.34Å
13T98.4Very high97.2Very high80 Ų8039.1 Ų39.149%0.49122%0.219SC..THydrogen-bonded Turntrans-88.1-2.3177.659.20000113.7E9 I11 G15 L179E9-T13 HydrophobicContact CG-CG2 4.09Å; E9-T13 WeakPolarHBondContact O-CG2 3.23Å; E9-T13 PolarHBondContact O-N 2.86Å; E9-T13 PolarHBondContact O-OG1 2.88Å; I11-T13 PolarHBondContact O-N 3.33Å; T13-G15 VanDerWaalsContact C-N 3.31Å; T13-G15 PolarHBondContact O-N 3.4Å; T13-L179 HydrophobicContact CG2-CD1 4.06Å; T13-L179 HydrophobicContact CG2-CD2 4.05Å; T13-L179 HydrophobicContact CG2-CG 4.46Å
14T98.5Very high97.5Very high37 Ų3741.4 Ų41.423%0.22723%0.225CC..SBendtrans-66.2-34.6-177.2-82.90000112.6S10 I11 R42 V43 I68S10-T14 PolarHBondContact O-N 3.41Å; S10-T14 PolarHBondContact O-OG1 3.08Å; I11-T14 WeakPolarHBondContact O-CB 3.21Å; I11-T14 PolarHBondContact O-N 3.19Å; T14-R42 HydrophobicContact CG2-CG 3.48Å; T14-R42 VanDerWaalsContact CG2-CG 3.48Å; T14-V43 HydrophobicContact CG2-CG2 3.41Å; T14-V43 VanDerWaalsContact CG2-CG2 3.41Å; T14-I68 HydrophobicContact CG2-CD1 4.39Å
15G97.8Very high97.6Very high28 Ų2844.4 Ų44.429%0.28924%0.239SC..  trans-165.3164.9179.300000111T13 V17 C180T13-G15 VanDerWaalsContact C-N 3.31Å; T13-G15 PolarHBondContact O-N 3.4Å; G15-V17 VanDerWaalsContact C-N 3.28Å; G15-V17 PolarHBondContact O-N 3.26Å; G15-C180 WeakPolarHBondContact O-CB 3.29Å
16P98.3Very high98Very high34 Ų3437.7 Ų37.722%0.22121%0.213CC..SBendtrans-72.8-20.8-171.928.3-34.6000113.4L173 C180 I181 V208 A211P16-L173 HydrophobicContact CB-CD1 4.21Å; P16-L173 HydrophobicContact CB-CD2 4.45Å; P16-C180 CarbonylContact O-C 3.49Å; P16-C180 VanDerWaalsContact O-CA 3.32Å; P16-C180 WeakPolarHBondContact O-CA 3.42Å; P16-C180 WeakPolarHBondContact O-CB 3.25Å; P16-I181 PolarHBondContact O-N 3.36Å; P16-V208 HydrophobicContact CG-CG2 4.49Å; P16-A211 HydrophobicContact CB-CB 3.47Å; P16-A211 VanDerWaalsContact CB-CB 3.47Å; P16-A211 HydrophobicContact CG-CB 3.55Å
17V98.6Very high98.3Very high5 Ų541.7 Ų41.73%0.0323%0.228CC..EExtended strand (participates in β ladder)trans-134.5131.1-173.1-1740000111G15 Y169 I181 W185 L186 A207G15-V17 VanDerWaalsContact C-N 3.28Å; G15-V17 PolarHBondContact O-N 3.26Å; V17-Y169 HydrophobicContact CG2-CD2 4.3Å; V17-Y169 HydrophobicContact CG2-CE2 4.39Å; V17-I181 CarbonylContact C-O 3.37Å; V17-I181 WeakPolarHBondContact CA-O 3.45Å; V17-I181 HydrophobicContact CB-CD1 4.1Å; V17-I181 HydrophobicContact CG1-CD1 3.66Å; V17-I181 HydrophobicContact CG2-CD1 3.78Å; V17-I181 HydrophobicContact CG2-CG1 4.24Å; V17-W185 HydrophobicContact CG1-CH2 4.01Å; V17-W185 HydrophobicContact CG1-CZ2 4.26Å; V17-L186 HydrophobicContact CB-CD2 4.45Å; V17-L186 HydrophobicContact CG1-CD1 3.63Å; V17-L186 HydrophobicContact CG1-CD2 3.82Å; V17-L186 HydrophobicContact CG1-CG 4.42Å; V17-A207 HydrophobicContact CG2-CB 4.19Å
18V98.8Very high98.4Very high2 Ų240 Ų401%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-106.4118.4169.9-178.50000108.6V20 V43 E45 I181 G182 G183V18-V20 PolarHBondContact O-N 2.88Å; V18-V43 HydrophobicContact CG1-CG1 4Å; V18-V43 HydrophobicContact CG2-CB 4.35Å; V18-V43 HydrophobicContact CG2-CG1 3.93Å; V18-E45 HydrophobicContact CG1-CB 3.77Å; V18-I181 PolarHBondContact N-O 3.21Å; V18-G182 VanDerWaalsContact O-CA 3.28Å; V18-G182 WeakPolarHBondContact O-CA 3.46Å; V18-G183 PolarHBondContact O-N 3.34Å; V18-G183 VanDerWaalsContact O-N 3.12Å
19P98.7Very high98.4Very high0 Ų039.9 Ų39.90%021%0.213CC..EExtended strand (participates in β ladder)trans-72.9126.1178.929.8-27.4000109.9I21 L36 V41 V43 L44 E45 G183 L186 V187P19-I21 HydrophobicContact CB-CD1 4.45Å; P19-I21 HydrophobicContact CB-CG1 4.14Å; P19-I21 HydrophobicContact CG-CD1 4.11Å; P19-I21 HydrophobicContact CG-CG1 4.35Å; P19-I21 PolarHBondContact O-N 3.04Å; P19-L36 HydrophobicContact CB-CD1 4.39Å; P19-L36 HydrophobicContact CB-CD2 4.4Å; P19-L36 HydrophobicContact CG-CD1 4.01Å; P19-L36 HydrophobicContact CG-CD2 4.41Å; P19-V41 HydrophobicContact CG-CG1 3.87Å; P19-V43 WeakPolarHBondContact CD-O 3.42Å; P19-L44 HydrophobicContact CG-CD2 3.94Å; P19-E45 WeakPolarHBondContact O-CB 3.49Å; P19-E45 PolarHBondContact O-N 3.31Å; P19-G183 WeakPolarHBondContact CA-O 3.34Å; P19-L186 HydrophobicContact CB-CB 4.02Å; P19-L186 HydrophobicContact CB-CD2 4.09Å; P19-V187 HydrophobicContact CB-CG2 4.33Å
20V98.6Very high98.4Very high11 Ų1136.9 Ų36.97%0.06720%0.2CC..EExtended strand (participates in β ladder)trans-84.896.2172.5-177.70000108.1V18 T47 T161 G183V18-V20 PolarHBondContact O-N 2.88Å; V20-T47 HydrophobicContact CG1-CG2 3.6Å; V20-T161 HydrophobicContact CG2-CG2 3.74Å; V20-G183 PolarHBondContact N-O 3.39Å
21I98.7Very high98.5Very high0 Ų037 Ų370%020%0.2CC..EExtended strand (participates in β ladder)trans-90.3128.6-169.7-64.9156.2000110.8P19 V23 M32 L36 L44 E45 V46 T47 V187P19-I21 HydrophobicContact CB-CD1 4.45Å; P19-I21 HydrophobicContact CB-CG1 4.14Å; P19-I21 HydrophobicContact CG-CD1 4.11Å; P19-I21 HydrophobicContact CG-CG1 4.35Å; P19-I21 PolarHBondContact O-N 3.04Å; I21-V23 HydrophobicContact CG2-CB 4.17Å; I21-V23 HydrophobicContact CG2-CG1 4.33Å; I21-M32 HydrophobicContact CD1-CE 3.88Å; I21-M32 HydrophobicContact CD1-SD 4.45Å; I21-M32 HydrophobicContact CG1-CE 4.3Å; I21-M32 HydrophobicContact CG1-SD 4.26Å; I21-M32 HydrophobicContact CG2-CE 3.71Å; I21-M32 HydrophobicContact CG2-SD 3.58Å; I21-M32 VanDerWaalsContact CG2-SD 3.58Å; I21-L36 HydrophobicContact CD1-CD1 3.98Å; I21-L36 HydrophobicContact CG1-CD1 4.46Å; I21-L44 HydrophobicContact CD1-CB 3.92Å; I21-E45 WeakPolarHBondContact CB-O 3.44Å; I21-E45 PolarHBondContact N-O 3.49Å; I21-V46 HydrophobicContact CD1-CG2 4.31Å; I21-T47 WeakPolarHBondContact O-CB 3.4Å; I21-T47 WeakPolarHBondContact O-CG2 3.5Å; I21-T47 PolarHBondContact O-N 3.49Å; I21-T47 PolarHBondContact O-OG1 2.94Å; I21-V187 HydrophobicContact CG1-CG2 4.08Å
22V98.2Very high98.5Very high56 Ų5637 Ų3734%0.33920%0.199SC..  trans-117.7102.4166.4-176.90000107.6T50V22-T50 HydrophobicContact CG1-CG2 3.86Å
23V98Very high98.5Very high0 Ų037 Ų370%020%0.199CC..  trans-106.6118.7-178570000110.2I21 K25 H28 A29 V46 T50 C52 A56 L192I21-V23 HydrophobicContact CG2-CB 4.17Å; I21-V23 HydrophobicContact CG2-CG1 4.33Å; V23-K25 VanDerWaalsContact CG2-O 3.24Å; V23-K25 WeakPolarHBondContact CG2-O 3.47Å; V23-H28 HydrophobicContact CG2-CB 4.26Å; V23-A29 HydrophobicContact CG2-CB 4.49Å; V23-V46 HydrophobicContact CG1-CG1 4.08Å; V23-T50 WeakPolarHBondContact O-CB 3.36Å; V23-T50 VanDerWaalsContact O-CG2 3.31Å; V23-T50 WeakPolarHBondContact O-CG2 3.28Å; V23-T50 PolarHBondContact O-OG1 3.38Å; V23-C52 PolarHBondContact O-SG 3.44Å; V23-C52 VanDerWaalsContact O-SG 3.32Å; V23-A56 HydrophobicContact CG1-CB 3.81Å; V23-L192 HydrophobicContact CB-CD2 4.26Å; V23-L192 HydrophobicContact CG2-CD2 4.22Å
24K98Very high98.5Very high135 Ų13538.3 Ų38.359%0.58720%0.199SC*.  trans-94.7-22.7-176.1-65.3-179.7-172.2165.50114.4T50 E193K24-T50 HydrophobicContact CG-CG2 4.07Å; K24-E193 IonicContact NZ-OE1 3.47Å; K24-E193 PolarHBondContact NZ-OE1 3.25Å
25K98.3Very high98.5Very high102 Ų10236.9 Ų36.944%0.44319%0.19SC..SBendtrans-124.6130.7178.5-55.8-179.1-176.3170.50109.1V23 E27 H28V23-K25 VanDerWaalsContact CG2-O 3.24Å; V23-K25 WeakPolarHBondContact CG2-O 3.47Å; K25-E27 VanDerWaalsContact C-N 3.26Å; K25-E27 HydrophobicContact CB-CG 4.23Å; K25-E27 PolarHBondContact O-N 3.25Å; K25-H28 PolarHBondContact O-N 2.97Å; K25-H28 VanDerWaalsContact O-N 3.16Å
26L98.5Very high98.6Very high72 Ų7235.5 Ų35.538%0.37718%0.176SC..G310 helixtrans-61-36.5-174.9-178.258.5000111.8H28 A29 C52 D55 A56L26-H28 PolarHBondContact O-N 3.37Å; L26-A29 HydrophobicContact CD1-CB 4.48Å; L26-A29 WeakPolarHBondContact O-CB 3.44Å; L26-A29 PolarHBondContact O-N 3.07Å; L26-C52 HydrophobicContact CB-CB 4.18Å; L26-D55 HydrophobicContact CD1-CB 3.81Å; L26-D55 HydrophobicContact CD2-CB 4.06Å; L26-A56 HydrophobicContact CD1-CB 4.16Å
27E98.4Very high98.6Very high133 Ų13335.6 Ų35.662%0.62118%0.176SC*.G310 helixtrans-59.8-18.6179.160-106.7-14600114.6K25 P31K25-E27 VanDerWaalsContact C-N 3.26Å; K25-E27 HydrophobicContact CB-CG 4.23Å; K25-E27 PolarHBondContact O-N 3.25Å; E27-P31 WeakPolarHBondContact O-CD 3.43Å
28H98.6Very high98.6Very high19 Ų1938.3 Ų38.39%0.08820%0.199CC..G310 helixtrans-84.1-17.9177.1-64-44.1000113.6V23 K25 L26 M32 L192 Y197V23-H28 HydrophobicContact CG2-CB 4.26Å; K25-H28 PolarHBondContact O-N 2.97Å; K25-H28 VanDerWaalsContact O-N 3.16Å; L26-H28 PolarHBondContact O-N 3.37Å; H28-M32 WeakPolarHBondContact O-CB 3.47Å; H28-M32 PolarHBondContact O-N 3.15Å; H28-L192 HydrophobicContact CB-CD1 3.81Å; H28-L192 HydrophobicContact CB-CD2 4.38Å; H28-L192 HydrophobicContact CB-CG 3.9Å; H28-L192 PolarHBondContact CE1-O 2.93Å; H28-L192 VanDerWaalsContact CE1-O 3.29Å; H28-L192 PolarHBondContact NE2-O 2.87Å; H28-Y197 PolarHBondContact ND1-OH 2.98Å
29A98.7Very high98.6Very high0 Ų038.5 Ų38.50%020%0.201CC..Hα-helixtrans-61.6-55.4-168.600000113.3V23 L26 A33 A56 I60V23-A29 HydrophobicContact CG2-CB 4.49Å; L26-A29 HydrophobicContact CD1-CB 4.48Å; L26-A29 WeakPolarHBondContact O-CB 3.44Å; L26-A29 PolarHBondContact O-N 3.07Å; A29-A33 WeakPolarHBondContact O-CB 3Å; A29-A33 PolarHBondContact O-N 3Å; A29-A56 HydrophobicContact CB-CB 3.57Å; A29-I60 HydrophobicContact CB-CD1 4.21Å; A29-I60 HydrophobicContact CB-CG1 4.29Å
30V98.9Very high98.6Very high16 Ų1640.9 Ų40.910%0.09723%0.226CC..Hα-helixtrans-69.2-46.5-177174.10000112.1M32 A33 K34 A59 E63 V64V30-M32 PolarHBondContact O-N 3.37Å; V30-A33 PolarHBondContact O-N 2.91Å; V30-K34 HydrophobicContact CG1-CD 4.25Å; V30-K34 WeakPolarHBondContact O-CG 3.37Å; V30-K34 PolarHBondContact O-N 3.36Å; V30-A59 HydrophobicContact CG2-CB 3.77Å; V30-E63 HydrophobicContact CG1-CB 3.92Å; V30-E63 HydrophobicContact CG2-CB 4.08Å; V30-V64 HydrophobicContact CG1-CG2 3.88Å
31P98.8Very high98.6Very high46 Ų4640.6 Ų40.630%0.29922%0.224SC..Hα-helixtrans-60-42175.9-26.336.3000113.4E27 K34 A35 Y197E27-P31 WeakPolarHBondContact O-CD 3.43Å; P31-K34 PolarHBondContact O-N 3.5Å; P31-A35 WeakPolarHBondContact O-CB 3.41Å; P31-A35 PolarHBondContact O-N 3.29Å; P31-Y197 HydrophobicContact CB-CD1 4.04Å; P31-Y197 HydrophobicContact CB-CD2 4.11Å; P31-Y197 HydrophobicContact CB-CE1 3.63Å; P31-Y197 HydrophobicContact CB-CE2 3.69Å; P31-Y197 HydrophobicContact CB-CG 4.28Å; P31-Y197 VanDerWaalsContact CB-CZ 3.43Å; P31-Y197 HydrophobicContact CG-CE2 4.5Å
32M98.8Very high98.6Very high0 Ų046.6 Ų46.60%025%0.247CC..Hα-helixtrans-62.5-43.6175.4174.2-151.165.500111.8I21 H28 V30 K34 A35 L36 I60 V187 L192 Y197 I200I21-M32 HydrophobicContact CD1-CE 3.88Å; I21-M32 HydrophobicContact CD1-SD 4.45Å; I21-M32 HydrophobicContact CG1-CE 4.3Å; I21-M32 HydrophobicContact CG1-SD 4.26Å; I21-M32 HydrophobicContact CG2-CE 3.71Å; I21-M32 HydrophobicContact CG2-SD 3.58Å; I21-M32 VanDerWaalsContact CG2-SD 3.58Å; H28-M32 WeakPolarHBondContact O-CB 3.47Å; H28-M32 PolarHBondContact O-N 3.15Å; V30-M32 PolarHBondContact O-N 3.37Å; M32-K34 PolarHBondContact O-N 3.3Å; M32-A35 WeakPolarHBondContact O-CB 3.36Å; M32-A35 PolarHBondContact O-N 3.23Å; M32-L36 HydrophobicContact CG-CD1 4.18Å; M32-L36 WeakPolarHBondContact O-CG 3.42Å; M32-L36 PolarHBondContact O-N 2.68Å; M32-I60 HydrophobicContact CE-CD1 4.29Å; M32-V187 HydrophobicContact CG-CG1 3.98Å; M32-V187 HydrophobicContact CG-CG2 4.34Å; M32-V187 HydrophobicContact SD-CG1 3.64Å; M32-V187 HydrophobicContact SD-CG2 4.28Å; M32-L192 HydrophobicContact CB-CD1 3.7Å; M32-L192 HydrophobicContact CG-CD1 3.73Å; M32-L192 HydrophobicContact SD-CD1 3.92Å; M32-L192 HydrophobicContact SD-CD2 4.38Å; M32-Y197 HydrophobicContact CB-CE1 4.43Å; M32-I200 HydrophobicContact CG-CD1 4.23Å
33A98.9Very high98.6Very high0 Ų044.1 Ų44.10%023%0.232CC..Hα-helixtrans-61.3-43.917700000111.9A29 V30 A35 L36 V37 L44 I60 V64A29-A33 WeakPolarHBondContact O-CB 3Å; A29-A33 PolarHBondContact O-N 3Å; V30-A33 PolarHBondContact O-N 2.91Å; A33-A35 VanDerWaalsContact C-N 3.33Å; A33-A35 PolarHBondContact O-N 2.83Å; A33-L36 PolarHBondContact O-N 2.71Å; A33-V37 WeakPolarHBondContact O-CG2 3.47Å; A33-V37 PolarHBondContact O-N 3.28Å; A33-L44 HydrophobicContact CB-CD1 3.55Å; A33-I60 HydrophobicContact CB-CB 4.45Å; A33-I60 HydrophobicContact CB-CD1 3.97Å; A33-I60 HydrophobicContact CB-CG1 3.79Å; A33-I60 HydrophobicContact CB-CG2 3.82Å; A33-V64 HydrophobicContact CB-CB 4.46Å; A33-V64 HydrophobicContact CB-CG1 4.37Å; A33-V64 HydrophobicContact CB-CG2 3.99Å
34K98.9Very high98.7Very high109 Ų10944.1 Ų44.147%0.47423%0.232SC..Hα-helixtrans-61.3-40174.8-71177.6178.7176.60112.2V30 P31 M32 V37 A38 V64V30-K34 HydrophobicContact CG1-CD 4.25Å; V30-K34 WeakPolarHBondContact O-CG 3.37Å; V30-K34 PolarHBondContact O-N 3.36Å; P31-K34 PolarHBondContact O-N 3.5Å; M32-K34 PolarHBondContact O-N 3.3Å; K34-V37 PolarHBondContact O-N 3.38Å; K34-A38 WeakPolarHBondContact O-CB 3.16Å; K34-A38 PolarHBondContact O-N 2.85Å; K34-V64 HydrophobicContact CG-CG1 4.18Å; K34-V64 HydrophobicContact CG-CG2 3.92Å
35A98.9Very high98.7Very high6 Ų637.8 Ų37.85%0.0520%0.204CC..Hα-helixtrans-62.7-45.6176.200000112.6P31 M32 A33 V37 A38 G39 Y197 I200 T201P31-A35 WeakPolarHBondContact O-CB 3.41Å; P31-A35 PolarHBondContact O-N 3.29Å; M32-A35 WeakPolarHBondContact O-CB 3.36Å; M32-A35 PolarHBondContact O-N 3.23Å; A33-A35 VanDerWaalsContact C-N 3.33Å; A33-A35 PolarHBondContact O-N 2.83Å; A35-V37 PolarHBondContact O-N 3.1Å; A35-A38 PolarHBondContact O-N 3.21Å; A35-G39 PolarHBondContact O-N 2.75Å; A35-Y197 WeakPolarHBondContact CB-O 3.39Å; A35-I200 HydrophobicContact CB-CB 4.19Å; A35-I200 HydrophobicContact CB-CG2 3.92Å; A35-T201 WeakPolarHBondContact CA-OG1 3.36Å; A35-T201 WeakPolarHBondContact CB-OG1 3.32Å; A35-T201 WeakPolarHBondContact O-CA 3.18Å; A35-T201 PolarHBondContact O-OG1 3.33Å
36L98.9Very high98.8Very high0 Ų032.9 Ų32.90%018%0.183CC..Hα-helixtrans-60.7-45.9176.1-70.4166.5000111.3P19 I21 M32 A33 A38 G39 G40 V41 L44 L186 V187 I200 A204P19-L36 HydrophobicContact CB-CD1 4.39Å; P19-L36 HydrophobicContact CB-CD2 4.4Å; P19-L36 HydrophobicContact CG-CD1 4.01Å; P19-L36 HydrophobicContact CG-CD2 4.41Å; I21-L36 HydrophobicContact CD1-CD1 3.98Å; I21-L36 HydrophobicContact CG1-CD1 4.46Å; M32-L36 HydrophobicContact CG-CD1 4.18Å; M32-L36 WeakPolarHBondContact O-CG 3.42Å; M32-L36 PolarHBondContact O-N 2.68Å; A33-L36 PolarHBondContact O-N 2.71Å; L36-A38 PolarHBondContact O-N 2.88Å; L36-G39 CarbonylContact O-C 3.55Å; L36-G39 WeakPolarHBondContact O-CA 3.39Å; L36-G39 PolarHBondContact O-N 3.28Å; L36-G39 VanDerWaalsContact O-N 3.08Å; L36-G40 PolarHBondContact O-N 3.35Å; L36-V41 CarbonylContact C-O 3.45Å; L36-V41 HydrophobicContact CB-CB 4.46Å; L36-V41 PolarHBondContact O-N 3.29Å; L36-L44 HydrophobicContact CB-CD2 3.87Å; L36-L44 HydrophobicContact CD1-CD2 3.67Å; L36-L44 HydrophobicContact CG-CD2 4.38Å; L36-L186 HydrophobicContact CD2-CB 4.22Å; L36-L186 HydrophobicContact CD2-CD2 4.45Å; L36-V187 HydrophobicContact CD1-CG2 3.84Å; L36-V187 HydrophobicContact CD2-CG2 3.92Å; L36-V187 HydrophobicContact CG-CG2 4.32Å; L36-I200 HydrophobicContact CD2-CG2 3.68Å; L36-I200 HydrophobicContact CG-CG2 3.82Å; L36-A204 HydrophobicContact CD2-CB 4.12Å
37V98.9Very high98.8Very high36 Ų3629.5 Ų29.522%0.21817%0.165CC..Hα-helixtrans-60.6-44.1176.3170.20000111.4A33 K34 A35 G39 G40 V41 V64 E66 A67A33-V37 WeakPolarHBondContact O-CG2 3.47Å; A33-V37 PolarHBondContact O-N 3.28Å; K34-V37 PolarHBondContact O-N 3.38Å; A35-V37 PolarHBondContact O-N 3.1Å; V37-G39 PolarHBondContact O-N 3.13Å; V37-G40 WeakPolarHBondContact O-CA 3.46Å; V37-G40 PolarHBondContact O-N 3.42Å; V37-V41 PolarHBondContact N-O 3.15Å; V37-V64 HydrophobicContact CG2-CG1 4.15Å; V37-E66 HydrophobicContact CG1-CB 3.83Å; V37-A67 HydrophobicContact CG2-CB 3.9Å
38A98.8Very high98.8Very high62 Ų6224.7 Ų24.751%0.51214%0.144SC..Hα-helixtrans-63.9-23.8176.500000113.3K34 A35 L36 G40 T201 R205K34-A38 WeakPolarHBondContact O-CB 3.16Å; K34-A38 PolarHBondContact O-N 2.85Å; A35-A38 PolarHBondContact O-N 3.21Å; L36-A38 PolarHBondContact O-N 2.88Å; A38-G40 VanDerWaalsContact C-N 3.33Å; A38-T201 HydrophobicContact CB-CG2 3.97Å; A38-R205 PolarHBondContact O-NH2 3.16Å
39G98.7Very high98.8Very high5 Ų529.7 Ų29.75%0.05216%0.162CC..THydrogen-bonded Turntrans-83.5-3.9170.300000114.3A35 L36 V37 T201 A204 R205A35-G39 PolarHBondContact O-N 2.75Å; L36-G39 CarbonylContact O-C 3.55Å; L36-G39 WeakPolarHBondContact O-CA 3.39Å; L36-G39 PolarHBondContact O-N 3.28Å; L36-G39 VanDerWaalsContact O-N 3.08Å; V37-G39 PolarHBondContact O-N 3.13Å; G39-T201 WeakPolarHBondContact CA-O 3.46Å; G39-A204 CarbonylContact O-C 3.54Å; G39-R205 WeakPolarHBondContact O-CA 3.33Å; G39-R205 PolarHBondContact O-N 3.06Å
40G98.5Very high98.8Very high51 Ų5131.3 Ų31.353%0.52617%0.172SC..THydrogen-bonded Turntrans91.27.2-178.700000114.9L36 V37 A38L36-G40 PolarHBondContact O-N 3.35Å; V37-G40 WeakPolarHBondContact O-CA 3.46Å; V37-G40 PolarHBondContact O-N 3.42Å; A38-G40 VanDerWaalsContact C-N 3.33Å
41V98.8Very high98.7Very high4 Ų440.1 Ų40.12%0.02421%0.212CC..  trans-103.2105.5178.5177.40000109.4P19 L36 V37 L186 A204 V208P19-V41 HydrophobicContact CG-CG1 3.87Å; L36-V41 CarbonylContact C-O 3.45Å; L36-V41 HydrophobicContact CB-CB 4.46Å; L36-V41 PolarHBondContact O-N 3.29Å; V37-V41 PolarHBondContact N-O 3.15Å; V41-L186 HydrophobicContact CB-CD2 4.45Å; V41-L186 HydrophobicContact CG1-CD2 4.1Å; V41-L186 HydrophobicContact CG2-CD2 3.86Å; V41-A204 HydrophobicContact CB-CB 4.21Å; V41-A204 HydrophobicContact CG2-CB 3.76Å; V41-V208 HydrophobicContact CG2-CG2 3.62Å
42R98.4Very high98.7Very high127 Ų12738.8 Ų38.848%0.47920%0.203SC..  trans-106.6-18.6-174.472.7178.8-174.3-145.1-10.1115.8T14 A67 I68T14-R42 HydrophobicContact CG2-CG 3.48Å; T14-R42 VanDerWaalsContact CG2-CG 3.48Å; R42-A67 CarbonylContact O-C 3.13Å; R42-A67 WeakPolarHBondContact O-CA 3.5Å; R42-I68 PolarHBondContact O-N 2.88Å
43V98.8Very high98.7Very high4 Ų438.9 Ų38.92%0.02420%0.204CC..EExtended strand (participates in β ladder)trans-86.7121.2173.2176.30000107.7I11 T14 V18 P19 I68 F90I11-V43 HydrophobicContact CG2-CG1 3.77Å; T14-V43 HydrophobicContact CG2-CG2 3.41Å; T14-V43 VanDerWaalsContact CG2-CG2 3.41Å; V18-V43 HydrophobicContact CG1-CG1 4Å; V18-V43 HydrophobicContact CG2-CB 4.35Å; V18-V43 HydrophobicContact CG2-CG1 3.93Å; P19-V43 WeakPolarHBondContact CD-O 3.42Å; V43-I68 WeakPolarHBondContact CA-O 3.42Å; V43-I68 HydrophobicContact CG2-CB 4.36Å; V43-I68 HydrophobicContact CG2-CD1 4.31Å; V43-F90 HydrophobicContact CG1-CE1 3.67Å; V43-F90 HydrophobicContact CG1-CE2 4.39Å; V43-F90 HydrophobicContact CG1-CZ 3.49Å; V43-F90 VanDerWaalsContact CG1-CZ 3.49Å
44L98.9Very high98.7Very high0 Ų040.4 Ų40.40%021%0.213CC..EExtended strand (participates in β ladder)trans-121114.3-172.3-50.9-174.3000110.4P19 I21 A33 L36 I60 A67 I68 G70 F90P19-L44 HydrophobicContact CG-CD2 3.94Å; I21-L44 HydrophobicContact CD1-CB 3.92Å; A33-L44 HydrophobicContact CB-CD1 3.55Å; L36-L44 HydrophobicContact CB-CD2 3.87Å; L36-L44 HydrophobicContact CD1-CD2 3.67Å; L36-L44 HydrophobicContact CG-CD2 4.38Å; L44-I60 HydrophobicContact CD1-CG2 4.12Å; L44-A67 HydrophobicContact CD1-CB 3.64Å; L44-A67 HydrophobicContact CG-CB 4.15Å; L44-I68 PolarHBondContact N-O 3.3Å; L44-G70 PolarHBondContact O-N 2.74Å; L44-F90 WeakPolarHBondContact O-CZ 3.37Å
45E98.8Very high98.7Very high1 Ų139.2 Ų39.21%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-93.492.7175.5-179-168.7165.400109.6V18 P19 I21 T47 G72 I92 K133V18-E45 HydrophobicContact CG1-CB 3.77Å; P19-E45 WeakPolarHBondContact O-CB 3.49Å; P19-E45 PolarHBondContact O-N 3.31Å; I21-E45 WeakPolarHBondContact CB-O 3.44Å; I21-E45 PolarHBondContact N-O 3.49Å; E45-T47 HydrophobicContact CG-CG2 4.4Å; E45-T47 PolarHBondContact O-N 3.24Å; E45-G72 VanDerWaalsContact CG-CA 3.44Å; E45-G72 VanDerWaalsContact OE1-CA 3.31Å; E45-G72 WeakPolarHBondContact OE1-CA 3.47Å; E45-I92 HydrophobicContact CB-CD1 4.34Å; E45-I92 HydrophobicContact CG-CB 4.36Å; E45-I92 HydrophobicContact CG-CD1 4.02Å; E45-K133 IonicContact OE1-NZ 2.68Å; E45-K133 PolarHBondContact OE1-NZ 3.25Å; E45-K133 VanDerWaalsContact OE1-NZ 3.1Å; E45-K133 IonicContact OE2-NZ 3.75Å
46V98.9Very high98.7Very high0 Ų038.9 Ų38.90%021%0.21CC..EExtended strand (participates in β ladder)trans-78.9110.6172.6-178.10000109.1I21 V23 A53 A56 I57 I60 V69 G70 A71 G72I21-V46 HydrophobicContact CD1-CG2 4.31Å; V23-V46 HydrophobicContact CG1-CG1 4.08Å; V46-A53 HydrophobicContact CG1-CB 4.26Å; V46-A56 HydrophobicContact CG1-CB 4.32Å; V46-I57 HydrophobicContact CB-CD1 4.23Å; V46-I57 HydrophobicContact CB-CG1 3.69Å; V46-I57 HydrophobicContact CG1-CD1 4.43Å; V46-I57 HydrophobicContact CG1-CG1 3.96Å; V46-I57 HydrophobicContact CG2-CG1 4.16Å; V46-I60 HydrophobicContact CG2-CD1 3.98Å; V46-V69 HydrophobicContact CG2-CG2 4.03Å; V46-G70 PolarHBondContact N-O 2.94Å; V46-A71 CarbonylContact O-C 3.57Å; V46-A71 WeakPolarHBondContact O-CA 3.42Å; V46-G72 PolarHBondContact O-N 3.08Å
47T98.8Very high98.7Very high0 Ų038.9 Ų38.90%021%0.21CC..EExtended strand (participates in β ladder)trans-78.5137.5-176.166.10000112.3V20 I21 E45 R49 A53 G72V20-T47 HydrophobicContact CG1-CG2 3.6Å; I21-T47 WeakPolarHBondContact O-CB 3.4Å; I21-T47 WeakPolarHBondContact O-CG2 3.5Å; I21-T47 PolarHBondContact O-N 3.49Å; I21-T47 PolarHBondContact O-OG1 2.94Å; E45-T47 HydrophobicContact CG-CG2 4.4Å; E45-T47 PolarHBondContact O-N 3.24Å; T47-R49 PolarHBondContact O-N 3.32Å; T47-R49 WeakPolarHBondContact OG1-CD 3.34Å; T47-A53 WeakPolarHBondContact O-CB 3.37Å; T47-G72 CarbonylContact C-O 3.59Å; T47-G72 WeakPolarHBondContact CA-O 3.46Å
48L98.8Very high98.7Very high32 Ų3241.8 Ų41.817%0.16822%0.216CC..SBendtrans-73.855.8173.5-59-173.7000111.9A53 V54 I57 G72 V74 Q79 V83L48-A53 HydrophobicContact CD2-CB 3.96Å; L48-V54 HydrophobicContact CD2-CG2 3.92Å; L48-I57 HydrophobicContact CD2-CD1 4.32Å; L48-G72 PolarHBondContact N-O 2.96Å; L48-V74 HydrophobicContact CD1-CG2 4.09Å; L48-Q79 HydrophobicContact CD1-CB 3.8Å; L48-Q79 HydrophobicContact CD1-CG 4.05Å; L48-V83 HydrophobicContact CD1-CG1 3.89Å; L48-V83 HydrophobicContact CD2-CG1 3.85Å; L48-V83 HydrophobicContact CG-CG1 4.31Å
49R98.4Very high98.7Very high125 Ų12539.9 Ų39.947%0.47220%0.201SC..SBendtrans-116.43.7-177.1-63.7-179.7-173.7-175.2-1113T47 T73T47-R49 PolarHBondContact O-N 3.32Å; T47-R49 WeakPolarHBondContact OG1-CD 3.34Å; R49-T73 HydrophobicContact CG-CG2 4.02Å; R49-T73 PolarHBondContact NE-OG1 2.94Å; R49-T73 PolarHBondContact NH2-OG1 2.93Å
50T98.4Very high98.7Very high34 Ų3439.6 Ų39.621%0.20920%0.198CC..SBendtrans-143.6154.4-179.457.90000109.4V22 V23 K24 C52 A53V22-T50 HydrophobicContact CG1-CG2 3.86Å; V23-T50 WeakPolarHBondContact O-CB 3.36Å; V23-T50 VanDerWaalsContact O-CG2 3.31Å; V23-T50 WeakPolarHBondContact O-CG2 3.28Å; V23-T50 PolarHBondContact O-OG1 3.38Å; K24-T50 HydrophobicContact CG-CG2 4.07Å; T50-C52 VanDerWaalsContact C-N 3.29Å; T50-C52 PolarHBondContact O-N 3.08Å; T50-A53 WeakPolarHBondContact O-CB 3.45Å; T50-A53 PolarHBondContact O-N 3.28Å
51E98.1Very high98.7Very high201 Ų20139.1 Ų39.194%0.93919%0.189SC*.THydrogen-bonded Turntrans-61.9-35.9-176.7-64.1-175.7163.300112.7A53E51-A53 VanDerWaalsContact C-N 3.32Å; E51-A53 PolarHBondContact O-N 3.02Å
52C98.5Very high98.7Very high18 Ų1847.4 Ų47.412%0.12223%0.225CC..THydrogen-bonded Turntrans-85.25.1-178.469.50000114.6V23 L26 T50 V54 D55 A56V23-C52 PolarHBondContact O-SG 3.44Å; V23-C52 VanDerWaalsContact O-SG 3.32Å; L26-C52 HydrophobicContact CB-CB 4.18Å; T50-C52 VanDerWaalsContact C-N 3.29Å; T50-C52 PolarHBondContact O-N 3.08Å; C52-V54 PolarHBondContact O-N 3.47Å; C52-D55 PolarHBondContact O-N 2.91Å; C52-A56 WeakPolarHBondContact O-CB 3.41Å; C52-A56 PolarHBondContact O-N 3.43Å
53A98.8Very high98.7Very high1 Ų146.4 Ų46.41%0.00823%0.226CC..Hα-helixtrans-61-41.3-171.900000113.3V46 T47 L48 T50 E51 A56 I57V46-A53 HydrophobicContact CG1-CB 4.26Å; T47-A53 WeakPolarHBondContact O-CB 3.37Å; L48-A53 HydrophobicContact CD2-CB 3.96Å; T50-A53 WeakPolarHBondContact O-CB 3.45Å; T50-A53 PolarHBondContact O-N 3.28Å; E51-A53 VanDerWaalsContact C-N 3.32Å; E51-A53 PolarHBondContact O-N 3.02Å; A53-A56 WeakPolarHBondContact O-CB 3.43Å; A53-A56 PolarHBondContact O-N 3.29Å; A53-I57 WeakPolarHBondContact O-CG1 3.46Å; A53-I57 PolarHBondContact O-N 3.49Å
54V98.9Very high98.7Very high32 Ų3246.2 Ų46.219%0.19423%0.225CC..Hα-helixtrans-68.5-41.7178.8-179.50000111L48 C52 A56 I57 R58 A86L48-V54 HydrophobicContact CD2-CG2 3.92Å; C52-V54 PolarHBondContact O-N 3.47Å; V54-A56 VanDerWaalsContact C-N 3.31Å; V54-A56 PolarHBondContact O-N 3Å; V54-I57 WeakPolarHBondContact O-CB 3.41Å; V54-I57 PolarHBondContact O-N 3.01Å; V54-R58 PolarHBondContact O-N 3.27Å; V54-A86 HydrophobicContact CG1-CB 3.64Å
55D98.9Very high98.7Very high84 Ų8451.3 Ų51.345%0.44926%0.257SS..Hα-helixtrans-66.1-35.3175.2-68.7-32.2000112.1L26 C52 R58 A59L26-D55 HydrophobicContact CD1-CB 3.81Å; L26-D55 HydrophobicContact CD2-CB 4.06Å; C52-D55 PolarHBondContact O-N 2.91Å; D55-R58 PolarHBondContact O-N 3.01Å; D55-A59 WeakPolarHBondContact O-CB 3.4Å; D55-A59 PolarHBondContact O-N 3.44Å
56A98.9Very high98.7Very high0 Ų057 Ų570%028%0.284CS..Hα-helixtrans-63.4-43.8173.400000111.5V23 L26 A29 V46 C52 A53 V54 R58 A59 I60V23-A56 HydrophobicContact CG1-CB 3.81Å; L26-A56 HydrophobicContact CD1-CB 4.16Å; A29-A56 HydrophobicContact CB-CB 3.57Å; V46-A56 HydrophobicContact CG1-CB 4.32Å; C52-A56 WeakPolarHBondContact O-CB 3.41Å; C52-A56 PolarHBondContact O-N 3.43Å; A53-A56 WeakPolarHBondContact O-CB 3.43Å; A53-A56 PolarHBondContact O-N 3.29Å; V54-A56 VanDerWaalsContact C-N 3.31Å; V54-A56 PolarHBondContact O-N 3Å; A56-R58 VanDerWaalsContact C-N 3.33Å; A56-R58 PolarHBondContact O-N 3.12Å; A56-A59 PolarHBondContact O-N 3.33Å; A56-I60 WeakPolarHBondContact O-CB 3.34Å; A56-I60 WeakPolarHBondContact O-CD1 3.34Å; A56-I60 WeakPolarHBondContact O-CG1 3.05Å; A56-I60 PolarHBondContact O-N 2.99Å
57I98.9Very high98.7Very high0 Ų057.2 Ų57.20%029%0.286CS..Hα-helixtrans-57.2-48.5172.9-69.7162.6000110V46 L48 A53 V54 A59 I60 A61 V69 A71 V83 A86 A88V46-I57 HydrophobicContact CB-CD1 4.23Å; V46-I57 HydrophobicContact CB-CG1 3.69Å; V46-I57 HydrophobicContact CG1-CD1 4.43Å; V46-I57 HydrophobicContact CG1-CG1 3.96Å; V46-I57 HydrophobicContact CG2-CG1 4.16Å; L48-I57 HydrophobicContact CD2-CD1 4.32Å; A53-I57 WeakPolarHBondContact O-CG1 3.46Å; A53-I57 PolarHBondContact O-N 3.49Å; V54-I57 WeakPolarHBondContact O-CB 3.41Å; V54-I57 PolarHBondContact O-N 3.01Å; I57-A59 PolarHBondContact O-N 3.07Å; I57-I60 PolarHBondContact O-N 3.49Å; I57-A61 VanDerWaalsContact O-CB 3.27Å; I57-A61 WeakPolarHBondContact O-CB 3.24Å; I57-A61 PolarHBondContact O-N 3.02Å; I57-V69 HydrophobicContact CG1-CG2 4.36Å; I57-V69 HydrophobicContact CG2-CG1 4.48Å; I57-V69 HydrophobicContact CG2-CG2 4.37Å; I57-A71 HydrophobicContact CD1-CB 3.78Å; I57-V83 HydrophobicContact CD1-CB 4.42Å; I57-V83 HydrophobicContact CD1-CG1 4.03Å; I57-A86 HydrophobicContact CG2-CB 4.16Å; I57-A88 HydrophobicContact CG2-CB 4.02Å
58R98.9Very high98.7Very high96 Ų9658.8 Ų58.836%0.36229%0.294SS..Hα-helixtrans-61.3-44.7-179.2-166.9-176.7-57.6-88.10.1112.6V54 D55 A56 K62 E85 A86V54-R58 PolarHBondContact O-N 3.27Å; D55-R58 PolarHBondContact O-N 3.01Å; A56-R58 VanDerWaalsContact C-N 3.33Å; A56-R58 PolarHBondContact O-N 3.12Å; R58-K62 WeakPolarHBondContact O-CB 3.4Å; R58-K62 PolarHBondContact O-N 3.01Å; R58-E85 IonicContact CZ-OE1 2.68Å; R58-E85 IonicContact CZ-OE2 2.75Å; R58-E85 IonicContact NH1-OE1 2.89Å; R58-E85 PolarHBondContact NH1-OE1 2.92Å; R58-E85 IonicContact NH1-OE2 3.67Å; R58-E85 PolarHBondContact NH1-OE2 2.62Å; R58-E85 IonicContact NH2-OE1 3.53Å; R58-E85 IonicContact NH2-OE2 3.34Å; R58-E85 PolarHBondContact NH2-OE2 3.32Å; R58-A86 WeakPolarHBondContact CA-O 3.35Å; R58-A86 HydrophobicContact CB-CB 4.39Å
59A98.9Very high98.7Very high22 Ų2257.3 Ų57.318%0.18229%0.287CS..Hα-helixtrans-63.9-46.8178.300000111.3V30 D55 A56 I57 K62 E63V30-A59 HydrophobicContact CG2-CB 3.77Å; D55-A59 WeakPolarHBondContact O-CB 3.4Å; D55-A59 PolarHBondContact O-N 3.44Å; A56-A59 PolarHBondContact O-N 3.33Å; I57-A59 PolarHBondContact O-N 3.07Å; A59-K62 PolarHBondContact O-N 3.04Å; A59-E63 WeakPolarHBondContact O-CB 3.46Å; A59-E63 WeakPolarHBondContact O-CG 3.39Å; A59-E63 PolarHBondContact O-N 3.32Å
60I98.9Very high98.7Very high0 Ų051.4 Ų51.40%026%0.264CS..Hα-helixtrans-63.6-45.2178.6-65.8165.5000110.9A29 M32 A33 L44 V46 A56 I57 K62 E63 V64 A67 V69A29-I60 HydrophobicContact CB-CD1 4.21Å; A29-I60 HydrophobicContact CB-CG1 4.29Å; M32-I60 HydrophobicContact CE-CD1 4.29Å; A33-I60 HydrophobicContact CB-CB 4.45Å; A33-I60 HydrophobicContact CB-CD1 3.97Å; A33-I60 HydrophobicContact CB-CG1 3.79Å; A33-I60 HydrophobicContact CB-CG2 3.82Å; L44-I60 HydrophobicContact CD1-CG2 4.12Å; V46-I60 HydrophobicContact CG2-CD1 3.98Å; A56-I60 WeakPolarHBondContact O-CB 3.34Å; A56-I60 WeakPolarHBondContact O-CD1 3.34Å; A56-I60 WeakPolarHBondContact O-CG1 3.05Å; A56-I60 PolarHBondContact O-N 2.99Å; I57-I60 PolarHBondContact O-N 3.49Å; I60-K62 PolarHBondContact O-N 3.16Å; I60-E63 PolarHBondContact O-N 3.47Å; I60-V64 HydrophobicContact CG2-CB 4.22Å; I60-V64 HydrophobicContact CG2-CG2 4.4Å; I60-V64 PolarHBondContact O-N 3.02Å; I60-A67 HydrophobicContact CG2-CB 4.35Å; I60-V69 HydrophobicContact CB-CB 4.36Å; I60-V69 HydrophobicContact CB-CG2 4.12Å; I60-V69 HydrophobicContact CD1-CG2 4.41Å; I60-V69 HydrophobicContact CG2-CB 3.71Å; I60-V69 HydrophobicContact CG2-CG1 4.16Å; I60-V69 HydrophobicContact CG2-CG2 3.86Å
61A98.8Very high98.7Very high41 Ų4149.8 Ų49.834%0.33925%0.254SS..Hα-helixtrans-58.4-32.2179.200000112.4I57 V69I57-A61 VanDerWaalsContact O-CB 3.27Å; I57-A61 WeakPolarHBondContact O-CB 3.24Å; I57-A61 PolarHBondContact O-N 3.02Å; A61-V69 HydrophobicContact CB-CG1 3.73Å
62K98.8Very high98.8Very high178 Ų17840.2 Ų40.277%0.77421%0.209SC*.Hα-helixtrans-86.5-38.5180-172.5179.5178.7-174.60113.4R58 A59 I60R58-K62 WeakPolarHBondContact O-CB 3.4Å; R58-K62 PolarHBondContact O-N 3.01Å; A59-K62 PolarHBondContact O-N 3.04Å; I60-K62 PolarHBondContact O-N 3.16Å
63E98.8Very high98.8Very high105 Ų10540.2 Ų40.249%0.49121%0.209SC..Hα-helixtrans-107.2-8.6-165.7-63.4-176.2-129.300114.7V30 A59 I60V30-E63 HydrophobicContact CG1-CB 3.92Å; V30-E63 HydrophobicContact CG2-CB 4.08Å; A59-E63 WeakPolarHBondContact O-CB 3.46Å; A59-E63 WeakPolarHBondContact O-CG 3.39Å; A59-E63 PolarHBondContact O-N 3.32Å; I60-E63 PolarHBondContact O-N 3.47Å
64V98.8Very high98.8Very high1 Ų140.1 Ų40.11%0.00621%0.208CC..  trans-132.267.7-179-1640000109.9V30 A33 K34 V37 I60 E66 A67V30-V64 HydrophobicContact CG1-CG2 3.88Å; A33-V64 HydrophobicContact CB-CB 4.46Å; A33-V64 HydrophobicContact CB-CG1 4.37Å; A33-V64 HydrophobicContact CB-CG2 3.99Å; K34-V64 HydrophobicContact CG-CG1 4.18Å; K34-V64 HydrophobicContact CG-CG2 3.92Å; V37-V64 HydrophobicContact CG2-CG1 4.15Å; I60-V64 HydrophobicContact CG2-CB 4.22Å; I60-V64 HydrophobicContact CG2-CG2 4.4Å; I60-V64 PolarHBondContact O-N 3.02Å; V64-E66 PolarHBondContact O-N 3.15Å; V64-E66 VanDerWaalsContact O-N 3.08Å; V64-A67 HydrophobicContact CB-CB 4.25Å; V64-A67 HydrophobicContact CG1-CB 3.82Å; V64-A67 WeakPolarHBondContact O-CB 3.4Å; V64-A67 PolarHBondContact O-N 2.98Å
65P98.3Very high98.8Very high106 Ų10643 Ų4369%0.68822%0.222SC*.THydrogen-bonded Turntrans-62.3-15.9-176.327.6-37000114.4A67P65-A67 VanDerWaalsContact C-N 3.3Å
66E98.5Very high98.8Very high120 Ų12041.8 Ų41.856%0.56122%0.216SC*.THydrogen-bonded Turntrans-75.3-20173.9-53.589.915900112.8V37 V64V37-E66 HydrophobicContact CG1-CB 3.83Å; V64-E66 PolarHBondContact O-N 3.15Å; V64-E66 VanDerWaalsContact O-N 3.08Å
67A98.6Very high98.8Very high5 Ų544.1 Ų44.14%0.04123%0.231CC..SBendtrans-87.9146.1176.100000111.4V37 R42 L44 I60 V64 P65V37-A67 HydrophobicContact CG2-CB 3.9Å; R42-A67 CarbonylContact O-C 3.13Å; R42-A67 WeakPolarHBondContact O-CA 3.5Å; L44-A67 HydrophobicContact CD1-CB 3.64Å; L44-A67 HydrophobicContact CG-CB 4.15Å; I60-A67 HydrophobicContact CG2-CB 4.35Å; V64-A67 HydrophobicContact CB-CB 4.25Å; V64-A67 HydrophobicContact CG1-CB 3.82Å; V64-A67 WeakPolarHBondContact O-CB 3.4Å; V64-A67 PolarHBondContact O-N 2.98Å; P65-A67 VanDerWaalsContact C-N 3.3Å
68I98.8Very high98.8Very high34 Ų3450.7 Ų50.717%0.17426%0.262CS..EExtended strand (participates in β ladder)trans-99.796.8164-54.4173.7000106.1I11 T14 R42 V43 L44 Q89 F90I11-I68 HydrophobicContact CD1-CG2 3.68Å; T14-I68 HydrophobicContact CG2-CD1 4.39Å; R42-I68 PolarHBondContact O-N 2.88Å; V43-I68 WeakPolarHBondContact CA-O 3.42Å; V43-I68 HydrophobicContact CG2-CB 4.36Å; V43-I68 HydrophobicContact CG2-CD1 4.31Å; L44-I68 PolarHBondContact N-O 3.3Å; I68-Q89 VanDerWaalsContact CA-OE1 3.24Å; I68-Q89 HydrophobicContact CG2-CB 3.95Å; I68-F90 HydrophobicContact CG2-CD1 4.01Å; I68-F90 HydrophobicContact CG2-CE1 4.04Å
69V98.8Very high98.8Very high1 Ų148.2 Ų48.21%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-89.8133.8-17966.20000110.5V46 I57 I60 A61 Q89V46-V69 HydrophobicContact CG2-CG2 4.03Å; I57-V69 HydrophobicContact CG1-CG2 4.36Å; I57-V69 HydrophobicContact CG2-CG1 4.48Å; I57-V69 HydrophobicContact CG2-CG2 4.37Å; I60-V69 HydrophobicContact CB-CB 4.36Å; I60-V69 HydrophobicContact CB-CG2 4.12Å; I60-V69 HydrophobicContact CD1-CG2 4.41Å; I60-V69 HydrophobicContact CG2-CB 3.71Å; I60-V69 HydrophobicContact CG2-CG1 4.16Å; I60-V69 HydrophobicContact CG2-CG2 3.86Å; A61-V69 HydrophobicContact CB-CG1 3.73Å; V69-Q89 WeakPolarHBondContact O-CB 3.42Å; V69-Q89 PolarHBondContact O-N 3.01Å
70G98.8Very high98.8Very high0 Ų047.5 Ų47.50%025%0.247CC..EExtended strand (participates in β ladder)trans-135.7175.9173.100000111.4L44 V46 F90L44-G70 PolarHBondContact O-N 2.74Å; V46-G70 PolarHBondContact N-O 2.94Å; G70-F90 CarbonylContact C-O 3.48Å; G70-F90 VanDerWaalsContact CA-CE1 3.47Å; G70-F90 WeakPolarHBondContact CA-O 3.42Å; G70-F90 VanDerWaalsContact N-CE1 3.31Å
71A98.9Very high98.8Very high0 Ų050.3 Ų50.30%027%0.271CS..EExtended strand (participates in β ladder)trans-103137.6178.100000111.3V46 I57 V74 V83 A88 F90 A91 I92V46-A71 CarbonylContact O-C 3.57Å; V46-A71 WeakPolarHBondContact O-CA 3.42Å; I57-A71 HydrophobicContact CD1-CB 3.78Å; A71-V74 HydrophobicContact CB-CG2 3.68Å; A71-V83 HydrophobicContact CB-CB 3.65Å; A71-V83 HydrophobicContact CB-CG1 3.5Å; A71-V83 HydrophobicContact CB-CG2 3.72Å; A71-A88 HydrophobicContact CB-CB 4.47Å; A71-F90 PolarHBondContact N-O 3.27Å; A71-A91 CarbonylContact O-C 3.49Å; A71-A91 WeakPolarHBondContact O-CA 3.31Å; A71-I92 PolarHBondContact O-N 3.35Å
72G98.8Very high98.8Very high0 Ų052.2 Ų52.20%027%0.273CS..EExtended strand (participates in β ladder)trans-108.6165.6167.800000111.9E45 V46 T47 L48 V74 I92E45-G72 VanDerWaalsContact CG-CA 3.44Å; E45-G72 VanDerWaalsContact OE1-CA 3.31Å; E45-G72 WeakPolarHBondContact OE1-CA 3.47Å; V46-G72 PolarHBondContact O-N 3.08Å; T47-G72 CarbonylContact C-O 3.59Å; T47-G72 WeakPolarHBondContact CA-O 3.46Å; L48-G72 PolarHBondContact N-O 2.96Å; G72-V74 PolarHBondContact O-N 2.83Å; G72-I92 CarbonylContact C-O 3.56Å; G72-I92 WeakPolarHBondContact CA-O 3.21Å
73T98.7Very high98.8Very high18 Ų1843.8 Ų43.811%0.1124%0.236CC..SBendtrans58.533.3-178.8-45.20000112.4R49 L75 I92R49-T73 HydrophobicContact CG-CG2 4.02Å; R49-T73 PolarHBondContact NE-OG1 2.94Å; R49-T73 PolarHBondContact NH2-OG1 2.93Å; T73-L75 HydrophobicContact CG2-CD2 4.17Å; T73-L75 PolarHBondContact O-N 3.05Å; T73-I92 PolarHBondContact N-O 2.95Å
74V98.9Very high98.8Very high0 Ų040.9 Ų40.90%023%0.225CC..  trans-76.1118.6170.6-177.80000108.1L48 A71 G72 Q79 L80 V83 A91 I92 S93 L100L48-V74 HydrophobicContact CD1-CG2 4.09Å; A71-V74 HydrophobicContact CB-CG2 3.68Å; G72-V74 PolarHBondContact O-N 2.83Å; V74-Q79 HydrophobicContact CG1-CB 4.07Å; V74-L80 HydrophobicContact CG1-CB 3.94Å; V74-V83 HydrophobicContact CG2-CG2 4.38Å; V74-A91 HydrophobicContact CG2-CB 4.08Å; V74-I92 PolarHBondContact N-O 3.18Å; V74-I92 VanDerWaalsContact N-O 3.14Å; V74-S93 WeakPolarHBondContact O-CA 3.34Å; V74-S93 WeakPolarHBondContact O-CB 3.49Å; V74-L100 HydrophobicContact CG1-CD1 4.15Å
75L98.9Very high98.8Very high92 Ų9247 Ų4748%0.48225%0.254SS..  trans-106.1-23-171.1-55.2-176.4000113.3T73 P94T73-L75 HydrophobicContact CG2-CD2 4.17Å; T73-L75 PolarHBondContact O-N 3.05Å; L75-P94 HydrophobicContact CD2-CG 3.52Å
76N98.9Very high98.8Very high58 Ų5842.1 Ų42.131%0.3122%0.222SC..SBendtrans-152.3168.5-171.76345.9000112.2Q78 Q79 L80N76-Q78 VanDerWaalsContact C-N 3.28Å; N76-Q78 PolarHBondContact O-N 3.02Å; N76-Q78 WeakPolarHBondContact OD1-CB 3.37Å; N76-Q78 PolarHBondContact OD1-N 3.15Å; N76-Q78 VanDerWaalsContact OD1-N 3.16Å; N76-Q79 PolarHBondContact O-N 3.25Å; N76-Q79 WeakPolarHBondContact OD1-CG 3.39Å; N76-Q79 PolarHBondContact OD1-N 2.91Å; N76-L80 PolarHBondContact O-N 3.12Å; N76-L80 VanDerWaalsContact O-N 3.11Å
77P98.9Very high98.8Very high49 Ų4937.9 Ų37.932%0.31821%0.211SC..Hα-helixtrans-60.7-31.4179.2-29.138.5000115L80 A81 P99 A103P77-L80 PolarHBondContact O-N 3.43Å; P77-A81 PolarHBondContact O-N 3.3Å; P77-P99 HydrophobicContact CG-CB 4.07Å; P77-P99 WeakPolarHBondContact CG-O 3.38Å; P77-A103 HydrophobicContact CB-CB 3.71Å; P77-A103 HydrophobicContact CG-CB 3.87Å
78Q98.8Very high98.8Very high139 Ų13937.9 Ų37.965%0.6521%0.211SC*.Hα-helixtrans-62.3-52.4178.6-176.3-170.7-15.800110N76 L80 A81 E82N76-Q78 VanDerWaalsContact C-N 3.28Å; N76-Q78 PolarHBondContact O-N 3.02Å; N76-Q78 WeakPolarHBondContact OD1-CB 3.37Å; N76-Q78 PolarHBondContact OD1-N 3.15Å; N76-Q78 VanDerWaalsContact OD1-N 3.16Å; Q78-L80 VanDerWaalsContact C-N 3.29Å; Q78-L80 PolarHBondContact O-N 3.32Å; Q78-A81 WeakPolarHBondContact O-CB 3.28Å; Q78-A81 PolarHBondContact O-N 2.95Å; Q78-A81 VanDerWaalsContact O-N 3.11Å; Q78-E82 WeakPolarHBondContact O-CG 3.44Å; Q78-E82 PolarHBondContact O-N 2.91Å
79Q98.9Very high98.8Very high43 Ų4339.6 Ų39.620%0.20122%0.218CC..Hα-helixtrans-61.6-38.3176.7-71.8177.4-19.500112.1L48 V74 N76 A81 E82 V83L48-Q79 HydrophobicContact CD1-CB 3.8Å; L48-Q79 HydrophobicContact CD1-CG 4.05Å; V74-Q79 HydrophobicContact CG1-CB 4.07Å; N76-Q79 PolarHBondContact O-N 3.25Å; N76-Q79 WeakPolarHBondContact OD1-CG 3.39Å; N76-Q79 PolarHBondContact OD1-N 2.91Å; Q79-A81 VanDerWaalsContact C-N 3.32Å; Q79-A81 PolarHBondContact O-N 3.33Å; Q79-E82 PolarHBondContact O-N 3.2Å; Q79-V83 WeakPolarHBondContact O-CG1 3.43Å; Q79-V83 WeakPolarHBondContact O-CG2 3.5Å; Q79-V83 PolarHBondContact O-N 3.2Å
80L98.9Very high98.8Very high7 Ų739.5 Ų39.54%0.03722%0.218CC..Hα-helixtrans-60.5-42175.2179.763.8000111.6V74 N76 P77 Q78 V83 T84 A91 L100 A103 A104 I109V74-L80 HydrophobicContact CG1-CB 3.94Å; N76-L80 PolarHBondContact O-N 3.12Å; N76-L80 VanDerWaalsContact O-N 3.11Å; P77-L80 PolarHBondContact O-N 3.43Å; Q78-L80 VanDerWaalsContact C-N 3.29Å; Q78-L80 PolarHBondContact O-N 3.32Å; L80-V83 WeakPolarHBondContact O-CG2 3.47Å; L80-T84 WeakPolarHBondContact O-CB 3.48Å; L80-T84 PolarHBondContact O-N 2.96Å; L80-T84 VanDerWaalsContact O-N 3.08Å; L80-T84 PolarHBondContact O-OG1 2.87Å; L80-A91 HydrophobicContact CD1-CB 3.62Å; L80-L100 HydrophobicContact CB-CD1 4.34Å; L80-L100 HydrophobicContact CD2-CD1 4.29Å; L80-A103 HydrophobicContact CD2-CB 4.01Å; L80-A104 HydrophobicContact CD2-CB 3.83Å; L80-I109 HydrophobicContact CD1-CD1 4.23Å; L80-I109 HydrophobicContact CD1-CG1 4.34Å
81A98.7Very high98.8Very high60 Ų6039.5 Ų39.550%0.49622%0.218SC..Hα-helixtrans-65.9-44.3176.300000111.6P77 Q78 Q79 V83 T84 E85P77-A81 PolarHBondContact O-N 3.3Å; Q78-A81 WeakPolarHBondContact O-CB 3.28Å; Q78-A81 PolarHBondContact O-N 2.95Å; Q78-A81 VanDerWaalsContact O-N 3.11Å; Q79-A81 VanDerWaalsContact C-N 3.32Å; Q79-A81 PolarHBondContact O-N 3.33Å; A81-V83 PolarHBondContact O-N 3.27Å; A81-T84 PolarHBondContact O-N 3.42Å; A81-E85 PolarHBondContact O-N 3.47Å
82E98.8Very high98.8Very high81 Ų8139.7 Ų39.738%0.37922%0.219SC..Hα-helixtrans-57.7-48.5178.1-70.1174.3-101.200112Q78 Q79 T84 E85 A86Q78-E82 WeakPolarHBondContact O-CG 3.44Å; Q78-E82 PolarHBondContact O-N 2.91Å; Q79-E82 PolarHBondContact O-N 3.2Å; E82-T84 VanDerWaalsContact C-N 3.35Å; E82-T84 PolarHBondContact O-N 3.36Å; E82-E85 PolarHBondContact O-N 2.7Å; E82-A86 WeakPolarHBondContact O-CB 2.97Å; E82-A86 PolarHBondContact O-N 2.83Å
83V98.9Very high98.8Very high0 Ų039.7 Ų39.70%022%0.219CC..Hα-helixtrans-72.3-31.6-178.9-58.30000112.2L48 I57 A71 V74 Q79 L80 A81 A86 G87 A88L48-V83 HydrophobicContact CD1-CG1 3.89Å; L48-V83 HydrophobicContact CD2-CG1 3.85Å; L48-V83 HydrophobicContact CG-CG1 4.31Å; I57-V83 HydrophobicContact CD1-CB 4.42Å; I57-V83 HydrophobicContact CD1-CG1 4.03Å; A71-V83 HydrophobicContact CB-CB 3.65Å; A71-V83 HydrophobicContact CB-CG1 3.5Å; A71-V83 HydrophobicContact CB-CG2 3.72Å; V74-V83 HydrophobicContact CG2-CG2 4.38Å; Q79-V83 WeakPolarHBondContact O-CG1 3.43Å; Q79-V83 WeakPolarHBondContact O-CG2 3.5Å; Q79-V83 PolarHBondContact O-N 3.2Å; L80-V83 WeakPolarHBondContact O-CG2 3.47Å; A81-V83 PolarHBondContact O-N 3.27Å; V83-A86 PolarHBondContact O-N 2.9Å; V83-G87 PolarHBondContact O-N 3.48Å; V83-A88 HydrophobicContact CB-CB 3.89Å; V83-A88 HydrophobicContact CG2-CB 4.16Å; V83-A88 WeakPolarHBondContact O-CB 3.42Å; V83-A88 PolarHBondContact O-N 3.41Å
84T98.7Very high98.8Very high45 Ų4540.5 Ų40.528%0.27622%0.224SC..Hα-helixtrans-62.6-44.7173.5-590000110.5L80 A81 E82 G87 I109L80-T84 WeakPolarHBondContact O-CB 3.48Å; L80-T84 PolarHBondContact O-N 2.96Å; L80-T84 VanDerWaalsContact O-N 3.08Å; L80-T84 PolarHBondContact O-OG1 2.87Å; A81-T84 PolarHBondContact O-N 3.42Å; E82-T84 VanDerWaalsContact C-N 3.35Å; E82-T84 PolarHBondContact O-N 3.36Å; T84-G87 PolarHBondContact O-N 3.46Å; T84-I109 HydrophobicContact CG2-CG2 4.43Å; T84-I109 WeakPolarHBondContact OG1-CD1 3.3Å
85E98.7Very high98.8Very high128 Ų12842 Ų4260%0.59824%0.24SC*.Hα-helixtrans-66.9-36.9176.4-172.3-78.5139.200111.9R58 A81 E82 G87R58-E85 IonicContact CZ-OE1 2.68Å; R58-E85 IonicContact CZ-OE2 2.75Å; R58-E85 IonicContact NH1-OE1 2.89Å; R58-E85 PolarHBondContact NH1-OE1 2.92Å; R58-E85 IonicContact NH1-OE2 3.67Å; R58-E85 PolarHBondContact NH1-OE2 2.62Å; R58-E85 IonicContact NH2-OE1 3.53Å; R58-E85 IonicContact NH2-OE2 3.34Å; R58-E85 PolarHBondContact NH2-OE2 3.32Å; A81-E85 PolarHBondContact O-N 3.47Å; E82-E85 PolarHBondContact O-N 2.7Å; E85-G87 PolarHBondContact O-N 3.38Å; E85-G87 VanDerWaalsContact O-N 3.13Å
86A98.8Very high98.8Very high4 Ų438.9 Ų38.93%0.03322%0.224CC..THydrogen-bonded Turntrans-67.2-8.8175.400000114.3V54 I57 R58 E82 V83V54-A86 HydrophobicContact CG1-CB 3.64Å; I57-A86 HydrophobicContact CG2-CB 4.16Å; R58-A86 WeakPolarHBondContact CA-O 3.35Å; R58-A86 HydrophobicContact CB-CB 4.39Å; E82-A86 WeakPolarHBondContact O-CB 2.97Å; E82-A86 PolarHBondContact O-N 2.83Å; V83-A86 PolarHBondContact O-N 2.9Å
87G98.5Very high98.8Very high32 Ų3239.4 Ų39.433%0.3323%0.229SC..THydrogen-bonded Turntrans95.616.4177.900000114.7V83 T84 E85 Q89V83-G87 PolarHBondContact O-N 3.48Å; T84-G87 PolarHBondContact O-N 3.46Å; E85-G87 PolarHBondContact O-N 3.38Å; E85-G87 VanDerWaalsContact O-N 3.13Å; G87-Q89 PolarHBondContact O-N 3.26Å
88A98.8Very high98.8Very high4 Ų442.4 Ų42.43%0.03324%0.239CC..  trans-58.1133.3169.300000110.1I57 A71 V83 I109I57-A88 HydrophobicContact CG2-CB 4.02Å; A71-A88 HydrophobicContact CB-CB 4.47Å; V83-A88 HydrophobicContact CB-CB 3.89Å; V83-A88 HydrophobicContact CG2-CB 4.16Å; V83-A88 WeakPolarHBondContact O-CB 3.42Å; V83-A88 PolarHBondContact O-N 3.41Å; A88-I109 HydrophobicContact CB-CD1 4.3Å; A88-I109 WeakPolarHBondContact O-CG2 3.19Å
89Q98.7Very high98.8Very high70 Ų7039.6 Ų39.633%0.32723%0.233SC..SBendtrans-91.3-12179.8-65.4166.1-93.100112.6I68 V69 G87 P110I68-Q89 VanDerWaalsContact CA-OE1 3.24Å; I68-Q89 HydrophobicContact CG2-CB 3.95Å; V69-Q89 WeakPolarHBondContact O-CB 3.42Å; V69-Q89 PolarHBondContact O-N 3.01Å; G87-Q89 PolarHBondContact O-N 3.26Å; Q89-P110 WeakPolarHBondContact O-CD 3.39Å
90F98.8Very high98.8Very high0 Ų037.7 Ų37.70%022%0.223CC..  trans-158.2163.2174.366.1-87.2000110.3I11 V43 L44 I68 G70 A71 I92 P110 I112I11-F90 HydrophobicContact CD1-CB 4.12Å; I11-F90 HydrophobicContact CD1-CD1 3.7Å; I11-F90 HydrophobicContact CD1-CE1 4.48Å; I11-F90 HydrophobicContact CD1-CG 4.15Å; I11-F90 HydrophobicContact CG1-CB 3.97Å; I11-F90 HydrophobicContact CG1-CD1 4.22Å; I11-F90 HydrophobicContact CG1-CG 4.2Å; I11-F90 HydrophobicContact CG2-CD1 3.94Å; I11-F90 HydrophobicContact CG2-CD2 4.14Å; I11-F90 HydrophobicContact CG2-CE1 4.13Å; I11-F90 HydrophobicContact CG2-CE2 4.33Å; I11-F90 HydrophobicContact CG2-CG 3.94Å; I11-F90 HydrophobicContact CG2-CZ 4.33Å; V43-F90 HydrophobicContact CG1-CE1 3.67Å; V43-F90 HydrophobicContact CG1-CE2 4.39Å; V43-F90 HydrophobicContact CG1-CZ 3.49Å; V43-F90 VanDerWaalsContact CG1-CZ 3.49Å; L44-F90 WeakPolarHBondContact O-CZ 3.37Å; I68-F90 HydrophobicContact CG2-CD1 4.01Å; I68-F90 HydrophobicContact CG2-CE1 4.04Å; G70-F90 CarbonylContact C-O 3.48Å; G70-F90 VanDerWaalsContact CA-CE1 3.47Å; G70-F90 WeakPolarHBondContact CA-O 3.42Å; G70-F90 VanDerWaalsContact N-CE1 3.31Å; A71-F90 PolarHBondContact N-O 3.27Å; F90-I92 HydrophobicContact CD2-CD1 4.22Å; F90-I92 HydrophobicContact CD2-CG1 3.94Å; F90-I92 HydrophobicContact CE2-CD1 3.72Å; F90-I92 HydrophobicContact CE2-CG1 3.9Å; F90-P110 WeakPolarHBondContact CA-O 3.45Å; F90-P110 HydrophobicContact CB-CG 3.85Å; F90-I112 HydrophobicContact CB-CD1 4.2Å; F90-I112 HydrophobicContact CD2-CD1 4.13Å
91A98.9Very high98.8Very high0 Ų037.3 Ų37.30%022%0.222CC..EExtended strand (participates in β ladder)trans-125.2142.2172.800000111A71 V74 L80 I109 P110 L111 I112A71-A91 CarbonylContact O-C 3.49Å; A71-A91 WeakPolarHBondContact O-CA 3.31Å; V74-A91 HydrophobicContact CG2-CB 4.08Å; L80-A91 HydrophobicContact CD1-CB 3.62Å; A91-I109 HydrophobicContact CB-CD1 4.35Å; A91-P110 PolarHBondContact N-O 3.36Å; A91-L111 HydrophobicContact CB-CD1 4.05Å; A91-L111 CarbonylContact O-C 3.44Å; A91-L111 WeakPolarHBondContact O-CA 3.38Å; A91-I112 PolarHBondContact O-N 3.1Å
92I98.9Very high98.8Very high3 Ų339.7 Ų39.72%0.01522%0.221CC..EExtended strand (participates in β ladder)trans-122.6128.3173.1-67.5-178.9000108E45 A71 G72 T73 V74 F90 I112 K133E45-I92 HydrophobicContact CB-CD1 4.34Å; E45-I92 HydrophobicContact CG-CB 4.36Å; E45-I92 HydrophobicContact CG-CD1 4.02Å; A71-I92 PolarHBondContact O-N 3.35Å; G72-I92 CarbonylContact C-O 3.56Å; G72-I92 WeakPolarHBondContact CA-O 3.21Å; T73-I92 PolarHBondContact N-O 2.95Å; V74-I92 PolarHBondContact N-O 3.18Å; V74-I92 VanDerWaalsContact N-O 3.14Å; F90-I92 HydrophobicContact CD2-CD1 4.22Å; F90-I92 HydrophobicContact CD2-CG1 3.94Å; F90-I92 HydrophobicContact CE2-CD1 3.72Å; F90-I92 HydrophobicContact CE2-CG1 3.9Å; I92-I112 HydrophobicContact CG1-CB 4.23Å; I92-I112 HydrophobicContact CG1-CD1 4.28Å; I92-K133 HydrophobicContact CG2-CD 3.44Å; I92-K133 VanDerWaalsContact CG2-CD 3.44Å
93S98.9Very high98.8Very high1 Ų137.2 Ų37.21%0.00721%0.214CC..EExtended strand (participates in β ladder)trans-111.1150.7173.262.10000110.7V74 G95 P113 G114V74-S93 WeakPolarHBondContact O-CA 3.34Å; V74-S93 WeakPolarHBondContact O-CB 3.49Å; S93-G95 VanDerWaalsContact CB-O 3.24Å; S93-G95 WeakPolarHBondContact CB-O 3.34Å; S93-G95 PolarHBondContact O-N 3.41Å; S93-G95 PolarHBondContact OG-O 3.39Å; S93-P113 WeakPolarHBondContact OG-CA 3.24Å; S93-P113 WeakPolarHBondContact OG-CB 3.38Å; S93-G114 WeakPolarHBondContact O-CA 3.41Å; S93-G114 PolarHBondContact O-N 3.31Å
94P98.7Very high98.8Very high34 Ų3437.2 Ų37.222%0.22121%0.214CC..SBendtrans-77.2-14.1177.731.7-32.3000112.6L75 F135L75-P94 HydrophobicContact CD2-CG 3.52Å; P94-F135 HydrophobicContact CB-CD1 3.91Å; P94-F135 HydrophobicContact CB-CE1 3.8Å; P94-F135 WeakPolarHBondContact O-CD1 3.47Å
95G98.9Very high98.7Very high31 Ų3136 Ų3632%0.3221%0.207SC..SBendtrans-153-166.4177.600000109.7S93 G114S93-G95 VanDerWaalsContact CB-O 3.24Å; S93-G95 WeakPolarHBondContact CB-O 3.34Å; S93-G95 PolarHBondContact O-N 3.41Å; S93-G95 PolarHBondContact OG-O 3.39Å; G95-G114 CarbonylContact C-O 3.59Å; G95-G114 WeakPolarHBondContact CA-O 3.49Å
96L98.9Very high98.7Very high28 Ų2836 Ų3615%0.14721%0.207CC..  trans-136.4153.9173.549.278.9000112.6L101 P113 G114 I115 E120 L123 F132L96-L101 HydrophobicContact CB-CD1 4.25Å; L96-L101 HydrophobicContact CB-CD2 4.14Å; L96-L101 HydrophobicContact CB-CG 4.17Å; L96-L101 HydrophobicContact CD1-CD1 4.29Å; L96-L101 HydrophobicContact CD2-CD1 4.45Å; L96-L101 HydrophobicContact CD2-CD2 4.42Å; L96-P113 HydrophobicContact CB-CB 3.95Å; L96-P113 HydrophobicContact CD2-CB 4.22Å; L96-P113 HydrophobicContact CD2-CG 4.22Å; L96-G114 PolarHBondContact N-O 3.36Å; L96-I115 HydrophobicContact CD2-CG2 3.5Å; L96-I115 VanDerWaalsContact CD2-CG2 3.5Å; L96-I115 HydrophobicContact CG-CG2 4.23Å; L96-E120 HydrophobicContact CD1-CB 4.2Å; L96-E120 WeakPolarHBondContact CD2-O 3.27Å; L96-L123 HydrophobicContact CD1-CB 4.39Å; L96-L123 HydrophobicContact CD1-CD2 3.71Å; L96-L123 HydrophobicContact CD1-CG 4.18Å; L96-F132 HydrophobicContact CD2-CE1 4.33Å
97T98.9Very high98.7Very high68 Ų6837 Ų3742%0.41722%0.217SC..  trans-142.6152.4170.663.90000107.9L100 L101T97-L100 PolarHBondContact O-N 3.44Å; T97-L100 VanDerWaalsContact O-N 3.12Å; T97-L100 WeakPolarHBondContact OG1-CB 3.43Å; T97-L100 PolarHBondContact OG1-N 3.45Å; T97-L101 WeakPolarHBondContact O-CG 3.44Å; T97-L101 PolarHBondContact O-N 2.96Å
98E98.8Very high98.6Very high113 Ų11339.7 Ų39.753%0.52823%0.228SC..Hα-helixtrans-55.1-43.2177.7-67.8-167.3-104.900113.6L100 L101 K102 L123 Y127E98-L100 VanDerWaalsContact C-N 3.31Å; E98-L100 PolarHBondContact O-N 3.35Å; E98-L101 PolarHBondContact O-N 2.82Å; E98-K102 VanDerWaalsContact O-CB 3.27Å; E98-K102 WeakPolarHBondContact O-CB 3.21Å; E98-K102 PolarHBondContact O-N 2.92Å; E98-L123 HydrophobicContact CG-CD1 4.13Å; E98-L123 HydrophobicContact CG-CD2 4.33Å; E98-Y127 HydrophobicContact CG-CE2 4.24Å; E98-Y127 PolarHBondContact OE2-OH 3.35Å; E98-Y127 VanDerWaalsContact OE2-OH 3.09Å
99P98.9Very high98.6Very high80 Ų8040.5 Ų40.552%0.51923%0.231SC..Hα-helixtrans-58-42175.3-26.736.3000113.3P77 A103P77-P99 HydrophobicContact CG-CB 4.07Å; P77-P99 WeakPolarHBondContact CG-O 3.38Å; P99-A103 WeakPolarHBondContact O-CB 3.41Å; P99-A103 PolarHBondContact O-N 2.79Å
100L98.9Very high98.6Very high2 Ų237.2 Ų37.21%0.0122%0.216CC..Hα-helixtrans-69.9-43.9179.1-179.961.4000111.7V74 L80 T97 E98 A103 A104 L111V74-L100 HydrophobicContact CG1-CD1 4.15Å; L80-L100 HydrophobicContact CB-CD1 4.34Å; L80-L100 HydrophobicContact CD2-CD1 4.29Å; T97-L100 PolarHBondContact O-N 3.44Å; T97-L100 VanDerWaalsContact O-N 3.12Å; T97-L100 WeakPolarHBondContact OG1-CB 3.43Å; T97-L100 PolarHBondContact OG1-N 3.45Å; E98-L100 VanDerWaalsContact C-N 3.31Å; E98-L100 PolarHBondContact O-N 3.35Å; L100-A103 PolarHBondContact O-N 2.81Å; L100-A104 WeakPolarHBondContact O-CB 3.27Å; L100-A104 PolarHBondContact O-N 2.9Å; L100-L111 HydrophobicContact CD2-CD2 4.37Å; L100-L111 HydrophobicContact CG-CD2 3.93Å
101L98.8Very high98.6Very high0 Ų037.2 Ų37.20%022%0.216CC..Hα-helixtrans-61.1-45.9176.9-69.2173.6000111.2L96 T97 E98 A104 T105 L111 P113 L123 Y127 L129L96-L101 HydrophobicContact CB-CD1 4.25Å; L96-L101 HydrophobicContact CB-CD2 4.14Å; L96-L101 HydrophobicContact CB-CG 4.17Å; L96-L101 HydrophobicContact CD1-CD1 4.29Å; L96-L101 HydrophobicContact CD2-CD1 4.45Å; L96-L101 HydrophobicContact CD2-CD2 4.42Å; T97-L101 WeakPolarHBondContact O-CG 3.44Å; T97-L101 PolarHBondContact O-N 2.96Å; E98-L101 PolarHBondContact O-N 2.82Å; L101-A104 PolarHBondContact O-N 2.79Å; L101-T105 WeakPolarHBondContact O-CB 3.2Å; L101-T105 VanDerWaalsContact O-CG2 3.26Å; L101-T105 WeakPolarHBondContact O-CG2 3.34Å; L101-T105 PolarHBondContact O-N 3.09Å; L101-T105 PolarHBondContact O-OG1 2.8Å; L101-L111 HydrophobicContact CD2-CD2 4.24Å; L101-P113 HydrophobicContact CD2-CG 4.08Å; L101-L123 HydrophobicContact CD1-CD2 4.48Å; L101-L123 HydrophobicContact CD1-CG 3.99Å; L101-Y127 HydrophobicContact CB-CD1 3.72Å; L101-Y127 HydrophobicContact CB-CD2 4.01Å; L101-Y127 HydrophobicContact CB-CE1 3.94Å; L101-Y127 HydrophobicContact CB-CE2 4.22Å; L101-Y127 HydrophobicContact CB-CG 3.76Å; L101-Y127 HydrophobicContact CD1-CD2 3.73Å; L101-Y127 HydrophobicContact CD1-CE2 4.04Å; L101-Y127 HydrophobicContact CD1-CG 4.2Å; L101-Y127 HydrophobicContact CG-CD2 4.49Å; L101-L129 HydrophobicContact CD2-CD1 3.9Å
102K98.6Very high98.6Very high109 Ų10937.2 Ų37.247%0.47422%0.216SC..Hα-helixtrans-58.9-54.1176.3-175.7177178.5179.80111.3E98 A104 T105 E106 Y127E98-K102 VanDerWaalsContact O-CB 3.27Å; E98-K102 WeakPolarHBondContact O-CB 3.21Å; E98-K102 PolarHBondContact O-N 2.92Å; K102-A104 VanDerWaalsContact C-N 3.29Å; K102-A104 PolarHBondContact O-N 2.87Å; K102-T105 PolarHBondContact O-N 3.39Å; K102-T105 PolarHBondContact O-OG1 3.09Å; K102-E106 WeakPolarHBondContact CE-OE1 3.32Å; K102-E106 HydrophobicContact CG-CG 4.48Å; K102-E106 WeakPolarHBondContact O-CB 3.35Å; K102-E106 WeakPolarHBondContact O-CG 3.35Å; K102-E106 PolarHBondContact O-N 3.29Å; K102-Y127 HydrophobicContact CB-CE1 3.95Å
103A98.6Very high98.6Very high29 Ų2937 Ų3724%0.2422%0.215CC..Hα-helixtrans-59.2-40.2-17900000112.5P77 L80 P99 L100 G107P77-A103 HydrophobicContact CB-CB 3.71Å; P77-A103 HydrophobicContact CG-CB 3.87Å; L80-A103 HydrophobicContact CD2-CB 4.01Å; P99-A103 WeakPolarHBondContact O-CB 3.41Å; P99-A103 PolarHBondContact O-N 2.79Å; L100-A103 PolarHBondContact O-N 2.81Å; A103-G107 PolarHBondContact O-N 2.88Å
104A98.5Very high98.6Very high1 Ų137 Ų371%0.00822%0.215CC..Hα-helixtrans-68.3-43.6178.100000113.6W4 L80 L100 L101 K102 E106 G107 L111W4-A104 PolarHBondContact NE1-O 2.93Å; L80-A104 HydrophobicContact CD2-CB 3.83Å; L100-A104 WeakPolarHBondContact O-CB 3.27Å; L100-A104 PolarHBondContact O-N 2.9Å; L101-A104 PolarHBondContact O-N 2.79Å; K102-A104 VanDerWaalsContact C-N 3.29Å; K102-A104 PolarHBondContact O-N 2.87Å; A104-E106 VanDerWaalsContact C-N 3.35Å; A104-G107 PolarHBondContact O-N 3.48Å; A104-L111 HydrophobicContact CB-CB 3.4Å; A104-L111 HydrophobicContact CB-CD2 3.54Å; A104-L111 HydrophobicContact CB-CG 4.07Å
105T98.1Very high98.6Very high19 Ų1935.5 Ų35.512%0.11721%0.205CC..Hα-helixtrans-74.7-26.9-17754.80000112.7M1 N3 W4 L101 K102 L129M1-T105 HydrophobicContact CE-CG2 3.23Å; M1-T105 HydrophobicContact SD-CG2 3.82Å; N3-T105 PolarHBondContact ND2-O 3.11Å; W4-T105 HydrophobicContact CZ2-CG2 4.35Å; L101-T105 WeakPolarHBondContact O-CB 3.2Å; L101-T105 VanDerWaalsContact O-CG2 3.26Å; L101-T105 WeakPolarHBondContact O-CG2 3.34Å; L101-T105 PolarHBondContact O-N 3.09Å; L101-T105 PolarHBondContact O-OG1 2.8Å; K102-T105 PolarHBondContact O-N 3.39Å; K102-T105 PolarHBondContact O-OG1 3.09Å; T105-L129 HydrophobicContact CG2-CD1 4Å
106E98Very high98.6Very high128 Ų12835.9 Ų35.960%0.59820%0.203SC*.Hα-helixtrans-79.3-21.3168.3-68.1175.7175.600112.7K102 A104K102-E106 WeakPolarHBondContact CE-OE1 3.32Å; K102-E106 HydrophobicContact CG-CG 4.48Å; K102-E106 WeakPolarHBondContact O-CB 3.35Å; K102-E106 WeakPolarHBondContact O-CG 3.35Å; K102-E106 PolarHBondContact O-N 3.29Å; A104-E106 VanDerWaalsContact C-N 3.35Å
107G97.7Very high98.6Very high24 Ų2437.5 Ų37.525%0.24721%0.214CC..SBendtrans-82.3-173.8-17800000115.5N3 A103 A104N3-G107 WeakPolarHBondContact CB-O 3.43Å; A103-G107 PolarHBondContact O-N 2.88Å; A104-G107 PolarHBondContact O-N 3.48Å
108T97.7Very high98.6Very high90 Ų9037.2 Ų37.255%0.55221%0.212SC*.SBendtrans-101.2-16.3-169.753.70000114.9
109I98.5Very high98.6Very high20 Ų2035.9 Ų35.910%0.10322%0.215CC..SBendtrans-116145-177.867.7171.6000111.3W4 L80 T84 A88 A91W4-I109 PolarHBondContact NE1-O 2.85Å; W4-I109 VanDerWaalsContact NE1-O 3.14Å; L80-I109 HydrophobicContact CD1-CD1 4.23Å; L80-I109 HydrophobicContact CD1-CG1 4.34Å; T84-I109 HydrophobicContact CG2-CG2 4.43Å; T84-I109 WeakPolarHBondContact OG1-CD1 3.3Å; A88-I109 HydrophobicContact CB-CD1 4.3Å; A88-I109 WeakPolarHBondContact O-CG2 3.19Å; A91-I109 HydrophobicContact CB-CD1 4.35Å
110P98.6Very high98.6Very high1 Ų135.4 Ų35.41%0.00621%0.206CC..  trans-65134.7178.226.9-34.7000112.2W4 T6 A8 I11 Q89 F90 A91W4-P110 VanDerWaalsContact CD2-CA 3.48Å; W4-P110 HydrophobicContact CD2-CB 3.91Å; W4-P110 HydrophobicContact CE3-CB 3.53Å; W4-P110 HydrophobicContact CG-CB 4.49Å; W4-P110 HydrophobicContact CH2-CB 4.34Å; W4-P110 HydrophobicContact CZ3-CB 3.77Å; T6-P110 WeakPolarHBondContact O-CD 3.49Å; T6-P110 WeakPolarHBondContact O-CG 3.4Å; A8-P110 HydrophobicContact CB-CB 4.06Å; I11-P110 HydrophobicContact CG1-CG 4.23Å; Q89-P110 WeakPolarHBondContact O-CD 3.39Å; F90-P110 WeakPolarHBondContact CA-O 3.45Å; F90-P110 HydrophobicContact CB-CG 3.85Å; A91-P110 PolarHBondContact N-O 3.36Å
111L98.8Very high98.6Very high0 Ų035.3 Ų35.30%021%0.205CC..EExtended strand (participates in β ladder)trans-96.9132.3163.6176.169.7000109.3A91 L100 L101 A104 P113 L129A91-L111 HydrophobicContact CB-CD1 4.05Å; A91-L111 CarbonylContact O-C 3.44Å; A91-L111 WeakPolarHBondContact O-CA 3.38Å; L100-L111 HydrophobicContact CD2-CD2 4.37Å; L100-L111 HydrophobicContact CG-CD2 3.93Å; L101-L111 HydrophobicContact CD2-CD2 4.24Å; A104-L111 HydrophobicContact CB-CB 3.4Å; A104-L111 HydrophobicContact CB-CD2 3.54Å; A104-L111 HydrophobicContact CB-CG 4.07Å; L111-P113 HydrophobicContact CD2-CB 4.13Å; L111-P113 HydrophobicContact CD2-CG 4.34Å; L111-P113 HydrophobicContact CG-CB 4.16Å; L111-P113 HydrophobicContact CG-CG 4.32Å; L111-P113 WeakPolarHBondContact O-CD 3.4Å; L111-L129 WeakPolarHBondContact O-CD2 3.47Å
112I98.9Very high98.6Very high0 Ų040 Ų400%023%0.228CC..EExtended strand (participates in β ladder)trans-112.989.9168.3-53.794.6000107.5A8 I11 L12 F90 A91 I92A8-I112 HydrophobicContact CB-CD1 4.44Å; A8-I112 HydrophobicContact CB-CG1 3.87Å; I11-I112 HydrophobicContact CG2-CD1 4.44Å; L12-I112 HydrophobicContact CD1-CG2 4.09Å; L12-I112 HydrophobicContact CD2-CG1 4.38Å; L12-I112 HydrophobicContact CD2-CG2 4.34Å; F90-I112 HydrophobicContact CB-CD1 4.2Å; F90-I112 HydrophobicContact CD2-CD1 4.13Å; A91-I112 PolarHBondContact O-N 3.1Å; I92-I112 HydrophobicContact CG1-CB 4.23Å; I92-I112 HydrophobicContact CG1-CD1 4.28Å
113P98.9Very high98.6Very high0 Ų037.1 Ų37.10%022%0.218CC..EExtended strand (participates in β ladder)trans-82.9150.6-171.129.2-28.6000113.3S93 L96 L101 L111 L129 F132 K133S93-P113 WeakPolarHBondContact OG-CA 3.24Å; S93-P113 WeakPolarHBondContact OG-CB 3.38Å; L96-P113 HydrophobicContact CB-CB 3.95Å; L96-P113 HydrophobicContact CD2-CB 4.22Å; L96-P113 HydrophobicContact CD2-CG 4.22Å; L101-P113 HydrophobicContact CD2-CG 4.08Å; L111-P113 HydrophobicContact CD2-CB 4.13Å; L111-P113 HydrophobicContact CD2-CG 4.34Å; L111-P113 HydrophobicContact CG-CB 4.16Å; L111-P113 HydrophobicContact CG-CG 4.32Å; L111-P113 WeakPolarHBondContact O-CD 3.4Å; P113-L129 HydrophobicContact CG-CD2 3.8Å; P113-F132 HydrophobicContact CG-CD1 3.8Å; P113-F132 HydrophobicContact CG-CE1 3.9Å; P113-F132 CarbonylContact O-C 3.2Å; P113-F132 WeakPolarHBondContact O-CA 3.33Å; P113-K133 PolarHBondContact O-N 3.31Å
114G98.9Very high98.6Very high0 Ų035.8 Ų35.80%021%0.207CC..EExtended strand (participates in β ladder)trans-71.6140.8172.600000112.9S93 G95 L96 K133S93-G114 WeakPolarHBondContact O-CA 3.41Å; S93-G114 PolarHBondContact O-N 3.31Å; G95-G114 CarbonylContact C-O 3.59Å; G95-G114 WeakPolarHBondContact CA-O 3.49Å; L96-G114 PolarHBondContact N-O 3.36Å; G114-K133 CarbonylContact C-O 3.55Å; G114-K133 VanDerWaalsContact CA-O 3.25Å; G114-K133 WeakPolarHBondContact CA-O 3.38Å
115I98.9Very high98.6Very high2 Ų239.3 Ų39.31%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-135.3154.9166.964.389.2000110.2L96 E120 L121 F132 K133 F134 F135 I149 F158L96-I115 HydrophobicContact CD2-CG2 3.5Å; L96-I115 VanDerWaalsContact CD2-CG2 3.5Å; L96-I115 HydrophobicContact CG-CG2 4.23Å; I115-E120 HydrophobicContact CB-CB 4.02Å; I115-E120 HydrophobicContact CG2-CB 3.86Å; I115-L121 HydrophobicContact CD1-CB 4.44Å; I115-L121 HydrophobicContact CG1-CB 4.47Å; I115-F132 HydrophobicContact CG1-CB 4.2Å; I115-F132 HydrophobicContact CG2-CD1 3.8Å; I115-F132 HydrophobicContact CG2-CE1 4.33Å; I115-K133 PolarHBondContact N-O 3.28Å; I115-F134 HydrophobicContact CD1-CD2 4.08Å; I115-F135 PolarHBondContact O-N 3.06Å; I115-I149 HydrophobicContact CD1-CG2 4.35Å; I115-F158 HydrophobicContact CD1-CE1 3.91Å; I115-F158 HydrophobicContact CG1-CE1 4.15Å
116S98.8Very high98.7Very high40 Ų4044.8 Ų44.828%0.2825%0.252SS..SBendtrans-123.1-19.5170.3-64.60000113E120 F135 N140S116-E120 WeakPolarHBondContact CA-OE2 3.17Å; S116-E120 PolarHBondContact N-OE2 2.83Å; S116-F135 PolarHBondContact OG-O 2.81Å; S116-N140 WeakPolarHBondContact CA-ND2 3.41Å; S116-N140 WeakPolarHBondContact CB-ND2 2.99Å; S116-N140 PolarHBondContact OG-ND2 2.83Å; S116-N140 PolarHBondContact OG-OD1 2.91Å
117T98.9Very high98.7Very high62 Ų6241.6 Ų41.638%0.3824%0.235SC..SBendtrans-129.5162.1-174.970.20000112.5S119 E120 L121T117-S119 VanDerWaalsContact C-N 3.31Å; T117-S119 PolarHBondContact O-N 3.27Å; T117-E120 PolarHBondContact N-OE2 3Å; T117-E120 PolarHBondContact O-N 3Å; T117-E120 VanDerWaalsContact OG1-CD 3.26Å; T117-E120 VanDerWaalsContact OG1-CG 3.28Å; T117-E120 WeakPolarHBondContact OG1-CG 3.48Å; T117-E120 PolarHBondContact OG1-N 3.01Å; T117-E120 PolarHBondContact OG1-OE2 3.37Å; T117-E120 VanDerWaalsContact OG1-OE2 3.06Å; T117-L121 PolarHBondContact O-N 3.3Å; T117-L121 VanDerWaalsContact O-N 3.11Å
118V98.8Very high98.7Very high62 Ų6242.9 Ų42.938%0.37625%0.248SC..Hα-helixtrans-66.9-30.4174.7-64.30000112.7L121 M122 I149 F153V118-L121 WeakPolarHBondContact O-CB 3.3Å; V118-L121 PolarHBondContact O-N 2.81Å; V118-M122 WeakPolarHBondContact O-CB 3.31Å; V118-M122 VanDerWaalsContact O-CG 3.23Å; V118-M122 WeakPolarHBondContact O-CG 3.35Å; V118-M122 PolarHBondContact O-N 3.34Å; V118-I149 HydrophobicContact CG1-CB 4.46Å; V118-I149 HydrophobicContact CG1-CG1 4.35Å; V118-I149 HydrophobicContact CG1-CG2 4.12Å; V118-F153 HydrophobicContact CB-CE2 4.14Å; V118-F153 HydrophobicContact CB-CZ 4.2Å; V118-F153 HydrophobicContact CG1-CE2 3.86Å; V118-F153 HydrophobicContact CG1-CZ 4.42Å
119S98.9Very high98.7Very high85 Ų8539.1 Ų39.159%0.59423%0.225SC*.Hα-helixtrans-68.9-40.4177.2-610000112T117 L121 M122 L123T117-S119 VanDerWaalsContact C-N 3.31Å; T117-S119 PolarHBondContact O-N 3.27Å; S119-L121 VanDerWaalsContact C-N 3.35Å; S119-M122 PolarHBondContact O-N 3.02Å; S119-L123 PolarHBondContact O-N 2.91Å
120E98.9Very high98.7Very high70 Ų7042.4 Ų42.433%0.32724%0.238SC..Hα-helixtrans-65.4-40.7173.1-67.5159.5161.200111.1L96 I115 S116 T117 M122 L123 G124L96-E120 HydrophobicContact CD1-CB 4.2Å; L96-E120 WeakPolarHBondContact CD2-O 3.27Å; I115-E120 HydrophobicContact CB-CB 4.02Å; I115-E120 HydrophobicContact CG2-CB 3.86Å; S116-E120 WeakPolarHBondContact CA-OE2 3.17Å; S116-E120 PolarHBondContact N-OE2 2.83Å; T117-E120 PolarHBondContact N-OE2 3Å; T117-E120 PolarHBondContact O-N 3Å; T117-E120 VanDerWaalsContact OG1-CD 3.26Å; T117-E120 VanDerWaalsContact OG1-CG 3.28Å; T117-E120 WeakPolarHBondContact OG1-CG 3.48Å; T117-E120 PolarHBondContact OG1-N 3.01Å; T117-E120 PolarHBondContact OG1-OE2 3.37Å; T117-E120 VanDerWaalsContact OG1-OE2 3.06Å; E120-M122 PolarHBondContact O-N 2.83Å; E120-L123 PolarHBondContact O-N 2.92Å; E120-G124 PolarHBondContact O-N 2.84Å
121L98.9Very high98.7Very high0 Ų042.9 Ų42.90%024%0.241CC..Hα-helixtrans-58.2-48173.9174.360.5000111.5I115 T117 V118 S119 L123 G124 M125 F132 F153 V156 F158I115-L121 HydrophobicContact CD1-CB 4.44Å; I115-L121 HydrophobicContact CG1-CB 4.47Å; T117-L121 PolarHBondContact O-N 3.3Å; T117-L121 VanDerWaalsContact O-N 3.11Å; V118-L121 WeakPolarHBondContact O-CB 3.3Å; V118-L121 PolarHBondContact O-N 2.81Å; S119-L121 VanDerWaalsContact C-N 3.35Å; L121-L123 VanDerWaalsContact C-N 3.33Å; L121-L123 PolarHBondContact O-N 3.1Å; L121-G124 PolarHBondContact O-N 2.95Å; L121-G124 VanDerWaalsContact O-N 3.16Å; L121-M125 HydrophobicContact CD1-CG 4.37Å; L121-M125 HydrophobicContact CD1-SD 4.3Å; L121-M125 HydrophobicContact CG-SD 4.04Å; L121-M125 WeakPolarHBondContact O-CG 3.35Å; L121-M125 PolarHBondContact O-N 3.01Å; L121-F132 HydrophobicContact CD1-CD1 4.3Å; L121-F132 HydrophobicContact CD1-CD2 3.4Å; L121-F132 HydrophobicContact CD1-CE1 4.22Å; L121-F132 HydrophobicContact CD1-CE2 3.27Å; L121-F132 HydrophobicContact CD1-CG 3.92Å; L121-F132 HydrophobicContact CD1-CZ 3.71Å; L121-F153 HydrophobicContact CD2-CB 4.16Å; L121-F153 HydrophobicContact CD2-CD1 3.85Å; L121-F153 HydrophobicContact CD2-CD2 3.63Å; L121-F153 HydrophobicContact CD2-CE1 4.06Å; L121-F153 HydrophobicContact CD2-CE2 3.85Å; L121-F153 HydrophobicContact CD2-CG 3.61Å; L121-F153 HydrophobicContact CD2-CZ 4.05Å; L121-F153 HydrophobicContact CG-CD1 4.42Å; L121-F153 HydrophobicContact CG-CE1 4.43Å; L121-V156 HydrophobicContact CD1-CG1 3.71Å; L121-V156 HydrophobicContact CD1-CG2 4.19Å; L121-V156 HydrophobicContact CD2-CG1 4.35Å; L121-F158 HydrophobicContact CD2-CZ 4.12Å
122M98.9Very high98.7Very high97 Ų9742.9 Ų42.948%0.47824%0.241SC..Hα-helixtrans-59.7-42.9176.4-72.316963.500111.8V118 S119 E120 G124 M125 D126 F153V118-M122 WeakPolarHBondContact O-CB 3.31Å; V118-M122 VanDerWaalsContact O-CG 3.23Å; V118-M122 WeakPolarHBondContact O-CG 3.35Å; V118-M122 PolarHBondContact O-N 3.34Å; S119-M122 PolarHBondContact O-N 3.02Å; E120-M122 PolarHBondContact O-N 2.83Å; M122-G124 VanDerWaalsContact C-N 3.31Å; M122-G124 PolarHBondContact O-N 3.45Å; M122-M125 CarbonylContact O-C 3.56Å; M122-M125 WeakPolarHBondContact O-CA 3.37Å; M122-M125 WeakPolarHBondContact O-CB 3.32Å; M122-M125 PolarHBondContact O-N 3.07Å; M122-D126 PolarHBondContact O-N 3.29Å; M122-F153 HydrophobicContact CG-CE1 3.98Å; M122-F153 HydrophobicContact CG-CZ 4.09Å
123L98.9Very high98.7Very high50 Ų5043.1 Ų43.126%0.26224%0.241SC..Hα-helixtrans-59.3-42.3175178.158.5000111.7L96 E98 L101 S119 E120 L121 M125 D126 Y127L96-L123 HydrophobicContact CD1-CB 4.39Å; L96-L123 HydrophobicContact CD1-CD2 3.71Å; L96-L123 HydrophobicContact CD1-CG 4.18Å; E98-L123 HydrophobicContact CG-CD1 4.13Å; E98-L123 HydrophobicContact CG-CD2 4.33Å; L101-L123 HydrophobicContact CD1-CD2 4.48Å; L101-L123 HydrophobicContact CD1-CG 3.99Å; S119-L123 PolarHBondContact O-N 2.91Å; E120-L123 PolarHBondContact O-N 2.92Å; L121-L123 VanDerWaalsContact C-N 3.33Å; L121-L123 PolarHBondContact O-N 3.1Å; L123-M125 VanDerWaalsContact C-N 3.31Å; L123-M125 PolarHBondContact O-N 3.03Å; L123-D126 PolarHBondContact O-N 3.16Å; L123-Y127 HydrophobicContact CD1-CD2 4.42Å; L123-Y127 HydrophobicContact CD1-CE2 4.09Å; L123-Y127 WeakPolarHBondContact O-CD2 3.47Å; L123-Y127 PolarHBondContact O-N 3.28Å
124G98.8Very high98.7Very high0 Ų043.1 Ų43.10%024%0.241CC..Hα-helixtrans-62.5-38.4172.800000113.2E120 L121 M122 Y127 G128 L129E120-G124 PolarHBondContact O-N 2.84Å; L121-G124 PolarHBondContact O-N 2.95Å; L121-G124 VanDerWaalsContact O-N 3.16Å; M122-G124 VanDerWaalsContact C-N 3.31Å; M122-G124 PolarHBondContact O-N 3.45Å; G124-Y127 PolarHBondContact O-N 3.07Å; G124-G128 PolarHBondContact O-N 3.37Å; G124-L129 WeakPolarHBondContact O-CB 3.35Å; G124-L129 WeakPolarHBondContact O-CD1 3.37Å; G124-L129 PolarHBondContact O-N 3.28Å; G124-L129 VanDerWaalsContact O-N 3.09Å
125M98.5Very high98.7Very high75 Ų7545.5 Ų45.537%0.36925%0.252SS..Hα-helixtrans-68.5-32176.9-68.8172.360.500113L121 M122 L123 Y127 G128 F132 F153 V156L121-M125 HydrophobicContact CD1-CG 4.37Å; L121-M125 HydrophobicContact CD1-SD 4.3Å; L121-M125 HydrophobicContact CG-SD 4.04Å; L121-M125 WeakPolarHBondContact O-CG 3.35Å; L121-M125 PolarHBondContact O-N 3.01Å; M122-M125 CarbonylContact O-C 3.56Å; M122-M125 WeakPolarHBondContact O-CA 3.37Å; M122-M125 WeakPolarHBondContact O-CB 3.32Å; M122-M125 PolarHBondContact O-N 3.07Å; L123-M125 VanDerWaalsContact C-N 3.31Å; L123-M125 PolarHBondContact O-N 3.03Å; M125-Y127 PolarHBondContact O-N 3.49Å; M125-G128 VanDerWaalsContact O-CA 3.3Å; M125-G128 WeakPolarHBondContact O-CA 3.44Å; M125-G128 PolarHBondContact O-N 3.08Å; M125-F132 HydrophobicContact CG-CE2 4.46Å; M125-F132 HydrophobicContact CG-CZ 4.41Å; M125-F153 HydrophobicContact CE-CD1 4.04Å; M125-F153 HydrophobicContact CE-CE1 4.44Å; M125-F153 HydrophobicContact SD-CD1 3.53Å; M125-F153 VanDerWaalsContact SD-CD1 3.53Å; M125-F153 HydrophobicContact SD-CE1 3.81Å; M125-V156 HydrophobicContact SD-CG2 3.94Å
126D98.6Very high98.7Very high134 Ų13447.5 Ų47.572%0.71727%0.265SS*.Hα-helixtrans-62.3-30.8173.8-71.9-20.4000111.6M122 L123 G128M122-D126 PolarHBondContact O-N 3.29Å; L123-D126 PolarHBondContact O-N 3.16Å; D126-G128 VanDerWaalsContact C-N 3.28Å
127Y98.4Very high98.7Very high62 Ų6245.6 Ų45.624%0.24325%0.252CS..THydrogen-bonded Turntrans-81.3-5.3170.7-79.3-100.2000113M1 E98 L101 K102 L123 G124 M125M1-Y127 WeakPolarHBondContact CE-O 3.34Å; E98-Y127 HydrophobicContact CG-CE2 4.24Å; E98-Y127 PolarHBondContact OE2-OH 3.35Å; E98-Y127 VanDerWaalsContact OE2-OH 3.09Å; L101-Y127 HydrophobicContact CB-CD1 3.72Å; L101-Y127 HydrophobicContact CB-CD2 4.01Å; L101-Y127 HydrophobicContact CB-CE1 3.94Å; L101-Y127 HydrophobicContact CB-CE2 4.22Å; L101-Y127 HydrophobicContact CB-CG 3.76Å; L101-Y127 HydrophobicContact CD1-CD2 3.73Å; L101-Y127 HydrophobicContact CD1-CE2 4.04Å; L101-Y127 HydrophobicContact CD1-CG 4.2Å; L101-Y127 HydrophobicContact CG-CD2 4.49Å; K102-Y127 HydrophobicContact CB-CE1 3.95Å; L123-Y127 HydrophobicContact CD1-CD2 4.42Å; L123-Y127 HydrophobicContact CD1-CE2 4.09Å; L123-Y127 WeakPolarHBondContact O-CD2 3.47Å; L123-Y127 PolarHBondContact O-N 3.28Å; G124-Y127 PolarHBondContact O-N 3.07Å; M125-Y127 PolarHBondContact O-N 3.49Å
128G97.6Very high98.7Very high50 Ų5046.9 Ų46.952%0.51525%0.254SS..THydrogen-bonded Turntrans91.814.1176.900000115.1M1 G124 M125 D126M1-G128 VanDerWaalsContact CE-C 3.47Å; G124-G128 PolarHBondContact O-N 3.37Å; M125-G128 VanDerWaalsContact O-CA 3.3Å; M125-G128 WeakPolarHBondContact O-CA 3.44Å; M125-G128 PolarHBondContact O-N 3.08Å; D126-G128 VanDerWaalsContact C-N 3.28Å
129L98.4Very high98.7Very high11 Ų1148 Ų486%0.05827%0.269CS..  trans-81.6149.1176.2-63.595.3000111.5M1 W4 L101 T105 L111 P113 G124 F132M1-L129 HydrophobicContact CE-CD1 3.94Å; M1-L129 HydrophobicContact CE-CG 3.94Å; W4-L129 HydrophobicContact CH2-CD2 4.19Å; L101-L129 HydrophobicContact CD2-CD1 3.9Å; T105-L129 HydrophobicContact CG2-CD1 4Å; L111-L129 WeakPolarHBondContact O-CD2 3.47Å; P113-L129 HydrophobicContact CG-CD2 3.8Å; G124-L129 WeakPolarHBondContact O-CB 3.35Å; G124-L129 WeakPolarHBondContact O-CD1 3.37Å; G124-L129 PolarHBondContact O-N 3.28Å; G124-L129 VanDerWaalsContact O-N 3.09Å; L129-F132 HydrophobicContact CB-CE1 4.12Å; L129-F132 HydrophobicContact CB-CE2 4.26Å; L129-F132 HydrophobicContact CB-CZ 3.64Å
130K98.4Very high98.7Very high90 Ų9045.8 Ų45.839%0.39125%0.251SS..  trans-134.5-7.7178.250.6157.8-165.4149.90114E9 V156 R157E9-K130 IonicContact OE1-NZ 3.88Å; E9-K130 IonicContact OE2-NZ 2.82Å; E9-K130 PolarHBondContact OE2-NZ 3.43Å; K130-V156 WeakPolarHBondContact O-CA 3.1Å; K130-R157 PolarHBondContact O-N 2.82Å
131E98.8Very high98.7Very high11 Ų1144.7 Ų44.75%0.05126%0.258CS..EExtended strand (participates in β ladder)trans-116127.1175.4-7480.4-140.600110.4A8 E9 L12 R157 L179A8-E131 HydrophobicContact CB-CB 3.87Å; A8-E131 HydrophobicContact CB-CG 4.27Å; E9-E131 HydrophobicContact CB-CG 4.23Å; E9-E131 PolarHBondContact N-OE2 3.02Å; L12-E131 HydrophobicContact CD1-CB 3.82Å; L12-E131 HydrophobicContact CD1-CG 4.04Å; E131-R157 WeakPolarHBondContact CA-O 3.38Å; E131-R157 HydrophobicContact CG-CB 4.31Å; E131-L179 HydrophobicContact CG-CD1 4.38Å
132F98.9Very high98.6Very high0 Ų045 Ų450%026%0.261CS..EExtended strand (participates in β ladder)trans-135154.4-173.1-64.9-89.5000112.3L96 P113 I115 L121 M125 L129 V156 R157 F158 C159L96-F132 HydrophobicContact CD2-CE1 4.33Å; P113-F132 HydrophobicContact CG-CD1 3.8Å; P113-F132 HydrophobicContact CG-CE1 3.9Å; P113-F132 CarbonylContact O-C 3.2Å; P113-F132 WeakPolarHBondContact O-CA 3.33Å; I115-F132 HydrophobicContact CG1-CB 4.2Å; I115-F132 HydrophobicContact CG2-CD1 3.8Å; I115-F132 HydrophobicContact CG2-CE1 4.33Å; L121-F132 HydrophobicContact CD1-CD1 4.3Å; L121-F132 HydrophobicContact CD1-CD2 3.4Å; L121-F132 HydrophobicContact CD1-CE1 4.22Å; L121-F132 HydrophobicContact CD1-CE2 3.27Å; L121-F132 HydrophobicContact CD1-CG 3.92Å; L121-F132 HydrophobicContact CD1-CZ 3.71Å; M125-F132 HydrophobicContact CG-CE2 4.46Å; M125-F132 HydrophobicContact CG-CZ 4.41Å; L129-F132 HydrophobicContact CB-CE1 4.12Å; L129-F132 HydrophobicContact CB-CE2 4.26Å; L129-F132 HydrophobicContact CB-CZ 3.64Å; F132-V156 HydrophobicContact CD2-CG1 3.73Å; F132-V156 HydrophobicContact CE2-CG1 4.15Å; F132-R157 PolarHBondContact N-O 3.27Å; F132-F158 HydrophobicContact CB-CD1 3.97Å; F132-F158 HydrophobicContact CB-CE1 4.03Å; F132-F158 CarbonylContact O-C 3.56Å; F132-F158 WeakPolarHBondContact O-CA 3.38Å; F132-C159 PolarHBondContact O-N 3.28Å
133K98.9Very high98.6Very high4 Ų442 Ų422%0.01725%0.248CC..EExtended strand (participates in β ladder)trans-85.1133.6163.4176.3174.3-168.7157.10108.4E45 I92 P113 G114 I115 F135 C159 T161E45-K133 IonicContact OE1-NZ 2.68Å; E45-K133 PolarHBondContact OE1-NZ 3.25Å; E45-K133 VanDerWaalsContact OE1-NZ 3.1Å; E45-K133 IonicContact OE2-NZ 3.75Å; I92-K133 HydrophobicContact CG2-CD 3.44Å; I92-K133 VanDerWaalsContact CG2-CD 3.44Å; P113-K133 PolarHBondContact O-N 3.31Å; G114-K133 CarbonylContact C-O 3.55Å; G114-K133 VanDerWaalsContact CA-O 3.25Å; G114-K133 WeakPolarHBondContact CA-O 3.38Å; I115-K133 PolarHBondContact N-O 3.28Å; K133-F135 HydrophobicContact CD-CB 4.21Å; K133-F135 HydrophobicContact CG-CB 3.85Å; K133-C159 VanDerWaalsContact CA-O 3.31Å; K133-C159 WeakPolarHBondContact CA-O 3.49Å; K133-T161 WeakPolarHBondContact CE-OG1 3.46Å
134F98.9Very high98.6Very high0 Ų047.8 Ų47.80%027%0.271CS..EExtended strand (participates in β ladder)trans-99.5108.3170.3178.5-116.3000108.2I115 A137 N140 A145 L146 I149 F158 C159 P160 T161I115-F134 HydrophobicContact CD1-CD2 4.08Å; F134-A137 HydrophobicContact CD1-CB 3.76Å; F134-A137 HydrophobicContact CE1-CB 4.15Å; F134-A137 WeakPolarHBondContact CE1-O 3.34Å; F134-N140 HydrophobicContact CE1-CB 3.96Å; F134-N140 HydrophobicContact CE2-CB 3.75Å; F134-N140 HydrophobicContact CZ-CB 3.3Å; F134-A145 HydrophobicContact CZ-CB 4.33Å; F134-L146 HydrophobicContact CB-CD1 4.12Å; F134-L146 HydrophobicContact CD1-CB 4.1Å; F134-L146 HydrophobicContact CD1-CD1 4.04Å; F134-L146 HydrophobicContact CD1-CD2 4.1Å; F134-L146 HydrophobicContact CD1-CG 4.32Å; F134-L146 HydrophobicContact CD2-CD1 4.12Å; F134-L146 HydrophobicContact CE1-CB 3.86Å; F134-L146 HydrophobicContact CE1-CD1 4.46Å; F134-L146 HydrophobicContact CG-CD1 3.84Å; F134-L146 HydrophobicContact CZ-CB 4.26Å; F134-I149 HydrophobicContact CE2-CD1 3.63Å; F134-I149 HydrophobicContact CZ-CD1 4.17Å; F134-F158 HydrophobicContact CB-CD1 4.16Å; F134-C159 PolarHBondContact N-O 3.23Å; F134-P160 HydrophobicContact CD1-CB 4.47Å; F134-P160 WeakPolarHBondContact O-CA 3.33Å; F134-T161 PolarHBondContact O-N 3.48Å
135F98.9Very high98.6Very high50 Ų5048.9 Ų48.922%0.21928%0.28CS..THydrogen-bonded Turntrans-147.5138.6-167.1174.4-89.8000112.9P94 I115 S116 K133 N140 T161P94-F135 HydrophobicContact CB-CD1 3.91Å; P94-F135 HydrophobicContact CB-CE1 3.8Å; P94-F135 WeakPolarHBondContact O-CD1 3.47Å; I115-F135 PolarHBondContact O-N 3.06Å; S116-F135 PolarHBondContact OG-O 2.81Å; K133-F135 HydrophobicContact CD-CB 4.21Å; K133-F135 HydrophobicContact CG-CB 3.85Å; F135-N140 PolarHBondContact O-ND2 3.23Å; F135-T161 HydrophobicContact CD2-CG2 4.29Å; F135-T161 VanDerWaalsContact CD2-O 3.3Å; F135-T161 WeakPolarHBondContact CD2-O 3.44Å
136P98.6Very high98.7Very high45 Ų4545.3 Ų45.329%0.29226%0.263SS..THydrogen-bonded Turncis-77.8117.1-10.529.8-33.5000111.6E138 A139 N140P136-E138 PolarHBondContact O-N 2.86Å; P136-A139 HydrophobicContact CB-CB 4.12Å; P136-A139 HydrophobicContact CG-CB 3.69Å; P136-A139 PolarHBondContact O-N 3.05Å; P136-A139 VanDerWaalsContact O-N 3.09Å; P136-N140 WeakPolarHBondContact CD-OD1 3.49Å; P136-N140 WeakPolarHBondContact O-CB 3.48Å; P136-N140 VanDerWaalsContact O-CG 3.26Å; P136-N140 PolarHBondContact O-N 2.82Å
137A98.8Very high98.7Very high0 Ų043.7 Ų43.70%025%0.251CS..THydrogen-bonded Turntrans-54.9-49.8-164.600000114.8F134 G142 P160 T161 I164 Y172F134-A137 HydrophobicContact CD1-CB 3.76Å; F134-A137 HydrophobicContact CE1-CB 4.15Å; F134-A137 WeakPolarHBondContact CE1-O 3.34Å; A137-G142 VanDerWaalsContact O-CA 3.3Å; A137-G142 WeakPolarHBondContact O-CA 3.48Å; A137-G142 PolarHBondContact O-N 3.14Å; A137-P160 HydrophobicContact CB-CB 3.95Å; A137-T161 PolarHBondContact N-O 3.05Å; A137-I164 HydrophobicContact CB-CD1 4.18Å; A137-I164 HydrophobicContact CB-CG1 4.47Å; A137-Y172 HydrophobicContact CB-CE1 4.15Å; A137-Y172 WeakPolarHBondContact CB-OH 3.31Å
138E98.7Very high98.7Very high89 Ų8944.2 Ų44.242%0.41627%0.268SS..THydrogen-bonded Turntrans-68.1-41.6178.4-72.9-72.580.500111.8P136 N140 G141 G142 G162 G163 N168 Y172P136-E138 PolarHBondContact O-N 2.86Å; E138-N140 VanDerWaalsContact C-N 3.29Å; E138-N140 PolarHBondContact O-N 3.39Å; E138-G141 PolarHBondContact O-N 2.96Å; E138-G141 VanDerWaalsContact O-N 3.09Å; E138-G142 PolarHBondContact O-N 3.29Å; E138-G162 PolarHBondContact N-O 3.47Å; E138-G162 VanDerWaalsContact N-O 3.11Å; E138-G163 WeakPolarHBondContact CG-O 3.47Å; E138-N168 PolarHBondContact OE2-ND2 2.78Å; E138-Y172 PolarHBondContact OE1-OH 2.96Å
139A98.5Very high98.7Very high84 Ų8443 Ų4369%0.69425%0.249SC*.THydrogen-bonded Turntrans-71-24.7-179.200000112.9P136 G141P136-A139 HydrophobicContact CB-CB 4.12Å; P136-A139 HydrophobicContact CG-CB 3.69Å; P136-A139 PolarHBondContact O-N 3.05Å; P136-A139 VanDerWaalsContact O-N 3.09Å; A139-G141 PolarHBondContact O-N 3.48Å
140N98.6Very high98.7Very high40 Ų4042.9 Ų42.921%0.21425%0.251CS..THydrogen-bonded Turntrans-761.9172.4-71.6-7.6000113.1S116 F134 F135 P136 E138 A145S116-N140 WeakPolarHBondContact CA-ND2 3.41Å; S116-N140 WeakPolarHBondContact CB-ND2 2.99Å; S116-N140 PolarHBondContact OG-ND2 2.83Å; S116-N140 PolarHBondContact OG-OD1 2.91Å; F134-N140 HydrophobicContact CE1-CB 3.96Å; F134-N140 HydrophobicContact CE2-CB 3.75Å; F134-N140 HydrophobicContact CZ-CB 3.3Å; F135-N140 PolarHBondContact O-ND2 3.23Å; P136-N140 WeakPolarHBondContact CD-OD1 3.49Å; P136-N140 WeakPolarHBondContact O-CB 3.48Å; P136-N140 VanDerWaalsContact O-CG 3.26Å; P136-N140 PolarHBondContact O-N 2.82Å; E138-N140 VanDerWaalsContact C-N 3.29Å; E138-N140 PolarHBondContact O-N 3.39Å; N140-A145 WeakPolarHBondContact O-CB 3.43Å
141G98.7Very high98.7Very high47 Ų4741.3 Ų41.349%0.48526%0.259SS..THydrogen-bonded Turntrans100.415.2-179.700000114.5E138 A139 A145E138-G141 PolarHBondContact O-N 2.96Å; E138-G141 VanDerWaalsContact O-N 3.09Å; A139-G141 PolarHBondContact O-N 3.48Å; G141-A145 PolarHBondContact O-N 2.89Å
142G98.8Very high98.7Very high6 Ų645.7 Ų45.76%0.06229%0.289CS..Hα-helixtrans68.3-154.2166.800000114.8A137 E138 K144 A145 L146 Y172A137-G142 VanDerWaalsContact O-CA 3.3Å; A137-G142 WeakPolarHBondContact O-CA 3.48Å; A137-G142 PolarHBondContact O-N 3.14Å; E138-G142 PolarHBondContact O-N 3.29Å; G142-K144 VanDerWaalsContact C-N 3.28Å; G142-K144 PolarHBondContact O-N 2.99Å; G142-A145 PolarHBondContact O-N 3.25Å; G142-L146 PolarHBondContact O-N 3.35Å; G142-L146 VanDerWaalsContact O-N 3.07Å; G142-Y172 WeakPolarHBondContact CA-OH 3.31Å
143V98.8Very high98.7Very high34 Ų3447.2 Ų47.221%0.20630%0.296CS..Hα-helixtrans-52.5-42.9179.5170.40000112.3L146 Q147 D171 Y172 L175V143-L146 PolarHBondContact O-N 3.02Å; V143-Q147 WeakPolarHBondContact O-CG 3.48Å; V143-Q147 PolarHBondContact O-N 2.73Å; V143-D171 HydrophobicContact CG2-CB 3.93Å; V143-Y172 HydrophobicContact CG2-CD1 3.88Å; V143-Y172 HydrophobicContact CG2-CD2 4.03Å; V143-Y172 HydrophobicContact CG2-CE1 3.9Å; V143-Y172 HydrophobicContact CG2-CE2 4.04Å; V143-Y172 HydrophobicContact CG2-CG 3.98Å; V143-L175 HydrophobicContact CG1-CD1 4.08Å; V143-L175 HydrophobicContact CG1-CD2 4.06Å; V143-L175 HydrophobicContact CG1-CG 4.33Å
144K98.7Very high98.6Very high171 Ų17151.4 Ų51.474%0.74333%0.325SS*.Hα-helixtrans-66.9-44.2-178.1-74.5-175.9177.9171.50112.5G142 L146 Q147 A148G142-K144 VanDerWaalsContact C-N 3.28Å; G142-K144 PolarHBondContact O-N 2.99Å; K144-L146 VanDerWaalsContact C-N 3.31Å; K144-L146 PolarHBondContact O-N 3.13Å; K144-Q147 PolarHBondContact O-N 2.97Å; K144-A148 PolarHBondContact O-N 3.44Å
145A98.8Very high98.5Very high23 Ų2358.5 Ų58.519%0.1936%0.358CS..Hα-helixtrans-62.1-4317600000110.9F134 N140 G141 G142 Q147 A148 I149F134-A145 HydrophobicContact CZ-CB 4.33Å; N140-A145 WeakPolarHBondContact O-CB 3.43Å; G141-A145 PolarHBondContact O-N 2.89Å; G142-A145 PolarHBondContact O-N 3.25Å; A145-Q147 PolarHBondContact O-N 3.39Å; A145-A148 PolarHBondContact O-N 3.47Å; A145-I149 WeakPolarHBondContact O-CB 3.37Å; A145-I149 VanDerWaalsContact O-CG1 3.31Å; A145-I149 WeakPolarHBondContact O-CG1 3.48Å; A145-I149 PolarHBondContact O-N 2.68Å
146L98.8Very high98.5Very high0 Ų056.3 Ų56.30%035%0.349CS..Hα-helixtrans-63.3-40.5177-176.656.4000112.7F134 G142 V143 K144 A148 I149 A150 F158 P160 Y172 L175 V178F134-L146 HydrophobicContact CB-CD1 4.12Å; F134-L146 HydrophobicContact CD1-CB 4.1Å; F134-L146 HydrophobicContact CD1-CD1 4.04Å; F134-L146 HydrophobicContact CD1-CD2 4.1Å; F134-L146 HydrophobicContact CD1-CG 4.32Å; F134-L146 HydrophobicContact CD2-CD1 4.12Å; F134-L146 HydrophobicContact CE1-CB 3.86Å; F134-L146 HydrophobicContact CE1-CD1 4.46Å; F134-L146 HydrophobicContact CG-CD1 3.84Å; F134-L146 HydrophobicContact CZ-CB 4.26Å; G142-L146 PolarHBondContact O-N 3.35Å; G142-L146 VanDerWaalsContact O-N 3.07Å; V143-L146 PolarHBondContact O-N 3.02Å; K144-L146 VanDerWaalsContact C-N 3.31Å; K144-L146 PolarHBondContact O-N 3.13Å; L146-A148 VanDerWaalsContact C-N 3.33Å; L146-A148 PolarHBondContact O-N 3.01Å; L146-I149 PolarHBondContact O-N 3.23Å; L146-A150 WeakPolarHBondContact O-CB 3.43Å; L146-A150 PolarHBondContact O-N 3.34Å; L146-F158 HydrophobicContact CD1-CB 4.29Å; L146-F158 HydrophobicContact CD1-CD1 4.1Å; L146-F158 HydrophobicContact CD1-CD2 3.75Å; L146-F158 HydrophobicContact CD1-CE1 4.37Å; L146-F158 HydrophobicContact CD1-CE2 4.05Å; L146-F158 HydrophobicContact CD1-CG 3.77Å; L146-F158 HydrophobicContact CD1-CZ 4.34Å; L146-P160 HydrophobicContact CD2-CB 4.38Å; L146-P160 HydrophobicContact CD2-CG 3.5Å; L146-Y172 HydrophobicContact CD2-CD1 4.2Å; L146-Y172 HydrophobicContact CD2-CE1 4.43Å; L146-L175 HydrophobicContact CB-CD1 4.42Å; L146-L175 HydrophobicContact CD2-CD1 3.97Å; L146-L175 HydrophobicContact CG-CD1 4.19Å; L146-V178 HydrophobicContact CD2-CG2 3.69Å
147Q98.6Very high98.5Very high100 Ų10057.2 Ų57.247%0.46735%0.347SS..Hα-helixtrans-59.3-44.1173.8-76.8175-35.100111.9V143 K144 A145 G151 L175V143-Q147 WeakPolarHBondContact O-CG 3.48Å; V143-Q147 PolarHBondContact O-N 2.73Å; K144-Q147 PolarHBondContact O-N 2.97Å; A145-Q147 PolarHBondContact O-N 3.39Å; Q147-G151 PolarHBondContact O-N 3.3Å; Q147-L175 HydrophobicContact CG-CD1 4Å; Q147-L175 HydrophobicContact CG-CD2 3.59Å; Q147-L175 HydrophobicContact CG-CG 4.45Å; Q147-L175 VanDerWaalsContact NE2-CD2 3.27Å
148A98.7Very high98.5Very high74 Ų7457.2 Ų57.261%0.61235%0.347SS*.Hα-helixtrans-67.8-45.617900000112K144 A145 L146 G151 P152K144-A148 PolarHBondContact O-N 3.44Å; A145-A148 PolarHBondContact O-N 3.47Å; L146-A148 VanDerWaalsContact C-N 3.33Å; L146-A148 PolarHBondContact O-N 3.01Å; A148-G151 PolarHBondContact O-N 2.89Å; A148-P152 WeakPolarHBondContact O-CD 3.39Å
149I98.7Very high98.5Very high23 Ų2353 Ų5312%0.11833%0.327CS..Hα-helixtrans-61.9-44176.9-71.5167000110.6I115 V118 F134 A145 L146 F153 F158I115-I149 HydrophobicContact CD1-CG2 4.35Å; V118-I149 HydrophobicContact CG1-CB 4.46Å; V118-I149 HydrophobicContact CG1-CG1 4.35Å; V118-I149 HydrophobicContact CG1-CG2 4.12Å; F134-I149 HydrophobicContact CE2-CD1 3.63Å; F134-I149 HydrophobicContact CZ-CD1 4.17Å; A145-I149 WeakPolarHBondContact O-CB 3.37Å; A145-I149 VanDerWaalsContact O-CG1 3.31Å; A145-I149 WeakPolarHBondContact O-CG1 3.48Å; A145-I149 PolarHBondContact O-N 2.68Å; L146-I149 PolarHBondContact O-N 3.23Å; I149-F153 WeakPolarHBondContact O-CD2 3.37Å; I149-F153 WeakPolarHBondContact O-CE2 3.41Å; I149-F158 HydrophobicContact CG2-CZ 4.49Å
150A98.4Very high98.5Very high10 Ų1049 Ų498%0.08329%0.294CS..Hα-helixtrans-76.7-20.4-176.800000114L146 F153 F158L146-A150 WeakPolarHBondContact O-CB 3.43Å; L146-A150 PolarHBondContact O-N 3.34Å; A150-F153 CarbonylContact O-C 3.54Å; A150-F153 PolarHBondContact O-N 3.35Å; A150-F158 HydrophobicContact CB-CD2 4.36Å; A150-F158 HydrophobicContact CB-CE2 3.68Å
151G98.4Very high98.5Very high56 Ų5647.4 Ų47.458%0.57729%0.286SS*.THydrogen-bonded Turntrans-51.9-50.1-173.200000114.5Q147 A148 F153Q147-G151 PolarHBondContact O-N 3.3Å; A148-G151 PolarHBondContact O-N 2.89Å; G151-F153 PolarHBondContact O-N 2.84Å
152P98.4Very high98.5Very high103 Ų10346.2 Ų46.267%0.66927%0.273SS*.THydrogen-bonded Turntrans-72.1-10.9176.7-19.733.3000114.9A148A148-P152 WeakPolarHBondContact O-CD 3.39Å
153F98.6Very high98.5Very high33 Ų3348.6 Ų48.615%0.14530%0.298CS..  trans-12061.6-167.9-55.6-90.4000111.6V118 L121 M122 M125 I149 A150 G151 Q155 V156V118-F153 HydrophobicContact CB-CE2 4.14Å; V118-F153 HydrophobicContact CB-CZ 4.2Å; V118-F153 HydrophobicContact CG1-CE2 3.86Å; V118-F153 HydrophobicContact CG1-CZ 4.42Å; L121-F153 HydrophobicContact CD2-CB 4.16Å; L121-F153 HydrophobicContact CD2-CD1 3.85Å; L121-F153 HydrophobicContact CD2-CD2 3.63Å; L121-F153 HydrophobicContact CD2-CE1 4.06Å; L121-F153 HydrophobicContact CD2-CE2 3.85Å; L121-F153 HydrophobicContact CD2-CG 3.61Å; L121-F153 HydrophobicContact CD2-CZ 4.05Å; L121-F153 HydrophobicContact CG-CD1 4.42Å; L121-F153 HydrophobicContact CG-CE1 4.43Å; M122-F153 HydrophobicContact CG-CE1 3.98Å; M122-F153 HydrophobicContact CG-CZ 4.09Å; M125-F153 HydrophobicContact CE-CD1 4.04Å; M125-F153 HydrophobicContact CE-CE1 4.44Å; M125-F153 HydrophobicContact SD-CD1 3.53Å; M125-F153 VanDerWaalsContact SD-CD1 3.53Å; M125-F153 HydrophobicContact SD-CE1 3.81Å; I149-F153 WeakPolarHBondContact O-CD2 3.37Å; I149-F153 WeakPolarHBondContact O-CE2 3.41Å; A150-F153 CarbonylContact O-C 3.54Å; A150-F153 PolarHBondContact O-N 3.35Å; G151-F153 PolarHBondContact O-N 2.84Å; F153-Q155 PolarHBondContact O-N 3.01Å; F153-V156 HydrophobicContact CB-CB 3.93Å; F153-V156 HydrophobicContact CB-CG2 3.76Å; F153-V156 WeakPolarHBondContact O-CB 3.47Å; F153-V156 PolarHBondContact O-N 3.09Å
154S97.1Very high98.4Very high91 Ų9147.6 Ų47.664%0.63629%0.292SS*.THydrogen-bonded Turntrans-58-23.2-172.2610000115.7R157S154-R157 PolarHBondContact O-NH1 2.68Å
155Q96.5Very high98.4Very high149 Ų14941.4 Ų41.470%0.69627%0.27SS*.THydrogen-bonded Turntrans-89.4-13.2178.2-60.3-69.53.900113.4F153F153-Q155 PolarHBondContact O-N 3.01Å
156V98.6Very high98.4Very high4 Ų444 Ų442%0.02429%0.285CS..  trans-82.5145.6-177.1174.40000110.2L121 M125 K130 F132 F153 F158L121-V156 HydrophobicContact CD1-CG1 3.71Å; L121-V156 HydrophobicContact CD1-CG2 4.19Å; L121-V156 HydrophobicContact CD2-CG1 4.35Å; M125-V156 HydrophobicContact SD-CG2 3.94Å; K130-V156 WeakPolarHBondContact O-CA 3.1Å; F132-V156 HydrophobicContact CD2-CG1 3.73Å; F132-V156 HydrophobicContact CE2-CG1 4.15Å; F153-V156 HydrophobicContact CB-CB 3.93Å; F153-V156 HydrophobicContact CB-CG2 3.76Å; F153-V156 WeakPolarHBondContact O-CB 3.47Å; F153-V156 PolarHBondContact O-N 3.09Å; V156-F158 HydrophobicContact CB-CE2 4.4Å; V156-F158 HydrophobicContact CB-CZ 4.46Å; V156-F158 HydrophobicContact CG1-CD2 4.38Å; V156-F158 HydrophobicContact CG1-CE1 3.99Å; V156-F158 HydrophobicContact CG1-CE2 3.65Å; V156-F158 HydrophobicContact CG1-CZ 3.44Å; V156-F158 VanDerWaalsContact CG1-CZ 3.44Å
157R98.8Very high98.3Very high64 Ų6448.3 Ų48.324%0.24232%0.32CS..EExtended strand (participates in β ladder)trans-128.4150.3178.4-68.4-62177.7-82-4.8111.9K130 E131 F132 S154 S177 L179K130-R157 PolarHBondContact O-N 2.82Å; E131-R157 WeakPolarHBondContact CA-O 3.38Å; E131-R157 HydrophobicContact CG-CB 4.31Å; F132-R157 PolarHBondContact N-O 3.27Å; S154-R157 PolarHBondContact O-NH1 2.68Å; R157-S177 CarbonylContact C-O 3.58Å; R157-S177 VanDerWaalsContact CA-O 3.3Å; R157-S177 WeakPolarHBondContact CA-O 3.46Å; R157-L179 HydrophobicContact CB-CD1 3.55Å; R157-L179 HydrophobicContact CB-CD2 4.47Å; R157-L179 HydrophobicContact CB-CG 3.75Å; R157-L179 HydrophobicContact CG-CD1 3.88Å; R157-L179 HydrophobicContact CG-CD2 4.1Å; R157-L179 HydrophobicContact CG-CG 3.93Å
158F98.9Very high98.3Very high0 Ų044.6 Ų44.60%030%0.304CS..EExtended strand (participates in β ladder)trans-126.3148.8-172-62.6-81.3000113.4I115 L121 F132 F134 L146 I149 A150 V156 S177 V178 L179I115-F158 HydrophobicContact CD1-CE1 3.91Å; I115-F158 HydrophobicContact CG1-CE1 4.15Å; L121-F158 HydrophobicContact CD2-CZ 4.12Å; F132-F158 HydrophobicContact CB-CD1 3.97Å; F132-F158 HydrophobicContact CB-CE1 4.03Å; F132-F158 CarbonylContact O-C 3.56Å; F132-F158 WeakPolarHBondContact O-CA 3.38Å; F134-F158 HydrophobicContact CB-CD1 4.16Å; L146-F158 HydrophobicContact CD1-CB 4.29Å; L146-F158 HydrophobicContact CD1-CD1 4.1Å; L146-F158 HydrophobicContact CD1-CD2 3.75Å; L146-F158 HydrophobicContact CD1-CE1 4.37Å; L146-F158 HydrophobicContact CD1-CE2 4.05Å; L146-F158 HydrophobicContact CD1-CG 3.77Å; L146-F158 HydrophobicContact CD1-CZ 4.34Å; I149-F158 HydrophobicContact CG2-CZ 4.49Å; A150-F158 HydrophobicContact CB-CD2 4.36Å; A150-F158 HydrophobicContact CB-CE2 3.68Å; V156-F158 HydrophobicContact CB-CE2 4.4Å; V156-F158 HydrophobicContact CB-CZ 4.46Å; V156-F158 HydrophobicContact CG1-CD2 4.38Å; V156-F158 HydrophobicContact CG1-CE1 3.99Å; V156-F158 HydrophobicContact CG1-CE2 3.65Å; V156-F158 HydrophobicContact CG1-CZ 3.44Å; V156-F158 VanDerWaalsContact CG1-CZ 3.44Å; F158-S177 PolarHBondContact N-O 3.11Å; F158-V178 WeakPolarHBondContact O-CA 3.35Å; F158-L179 PolarHBondContact O-N 3.36Å
159C98.9Very high98.3Very high2 Ų241.7 Ų41.71%0.01428%0.277CS..EExtended strand (participates in β ladder)trans-114.591158.6-179.80000109.1L12 F132 K133 F134 C180 I181L12-C159 HydrophobicContact CD1-CB 4.22Å; L12-C159 HydrophobicContact CD2-CB 3.93Å; F132-C159 PolarHBondContact O-N 3.28Å; K133-C159 VanDerWaalsContact CA-O 3.31Å; K133-C159 WeakPolarHBondContact CA-O 3.49Å; F134-C159 PolarHBondContact N-O 3.23Å; C159-C180 WeakPolarHBondContact CA-O 3.19Å; C159-C180 VanDerWaalsContact SG-SG 3.62Å; C159-I181 VanDerWaalsContact SG-C 3.57Å
160P98.9Very high98.2Very high0 Ų045.1 Ų45.10%029%0.289CS..EExtended strand (participates in β ladder)trans-60.9136.7175.1-23.135.9000110.6F134 A137 L146 I164 Y172 V178 C180 I181 G182F134-P160 HydrophobicContact CD1-CB 4.47Å; F134-P160 WeakPolarHBondContact O-CA 3.33Å; A137-P160 HydrophobicContact CB-CB 3.95Å; L146-P160 HydrophobicContact CD2-CB 4.38Å; L146-P160 HydrophobicContact CD2-CG 3.5Å; P160-I164 VanDerWaalsContact C-CD1 3.44Å; P160-I164 HydrophobicContact CB-CD1 3.61Å; P160-I164 VanDerWaalsContact O-CD1 3.24Å; P160-I164 WeakPolarHBondContact O-CD1 3.4Å; P160-Y172 HydrophobicContact CB-CD1 3.62Å; P160-Y172 HydrophobicContact CB-CE1 3.83Å; P160-Y172 HydrophobicContact CB-CG 4.25Å; P160-Y172 HydrophobicContact CG-CD1 3.7Å; P160-Y172 HydrophobicContact CG-CE1 4.28Å; P160-Y172 HydrophobicContact CG-CG 4.4Å; P160-V178 HydrophobicContact CG-CG1 4.12Å; P160-V178 HydrophobicContact CG-CG2 3.7Å; P160-C180 WeakPolarHBondContact CD-O 3.36Å; P160-I181 HydrophobicContact CB-CG2 4.38Å; P160-I181 HydrophobicContact CG-CG2 4.35Å; P160-I181 CarbonylContact O-C 3.38Å; P160-I181 WeakPolarHBondContact O-CA 3.41Å; P160-G182 PolarHBondContact O-N 3.07Å
161T98.8Very high98.2Very high5 Ų549.2 Ų49.23%0.03131%0.309CS..BIsolated β-bridgetrans-147.4141.7177.9-57.40000110.5V20 K133 F134 F135 A137 G182V20-T161 HydrophobicContact CG2-CG2 3.74Å; K133-T161 WeakPolarHBondContact CE-OG1 3.46Å; F134-T161 PolarHBondContact O-N 3.48Å; F135-T161 HydrophobicContact CD2-CG2 4.29Å; F135-T161 VanDerWaalsContact CD2-O 3.3Å; F135-T161 WeakPolarHBondContact CD2-O 3.44Å; A137-T161 PolarHBondContact N-O 3.05Å; T161-G182 WeakPolarHBondContact OG1-CA 3.37Å
162G98.2Very high98.3Very high22 Ų2246.6 Ų46.623%0.22728%0.282CS..SBendtrans106.2113.8176.700000111.9E138 I164E138-G162 PolarHBondContact N-O 3.47Å; E138-G162 VanDerWaalsContact N-O 3.11Å; G162-I164 VanDerWaalsContact C-N 3.26Å
163G97.8Very high98.3Very high57 Ų5743.6 Ų43.659%0.58826%0.26SS*.SBendtrans77.56.3-172.800000114.6E138 N168E138-G163 WeakPolarHBondContact CG-O 3.47Å; G163-N168 PolarHBondContact O-ND2 2.93Å
164I98.5Very high98.2Very high12 Ų1245.6 Ų45.66%0.06228%0.283CS..  trans-88.5136179.2-56.2179.5000110.5A137 P160 G162 N168 Y169 Y172 I181 W185A137-I164 HydrophobicContact CB-CD1 4.18Å; A137-I164 HydrophobicContact CB-CG1 4.47Å; P160-I164 VanDerWaalsContact C-CD1 3.44Å; P160-I164 HydrophobicContact CB-CD1 3.61Å; P160-I164 VanDerWaalsContact O-CD1 3.24Å; P160-I164 WeakPolarHBondContact O-CD1 3.4Å; G162-I164 VanDerWaalsContact C-N 3.26Å; I164-N168 WeakPolarHBondContact CA-OD1 3.3Å; I164-Y169 VanDerWaalsContact CG2-CB 3.48Å; I164-Y172 HydrophobicContact CD1-CD2 4.02Å; I164-Y172 HydrophobicContact CD1-CE2 4.02Å; I164-Y172 HydrophobicContact CD1-CG 4.29Å; I164-Y172 HydrophobicContact CG1-CD2 4.15Å; I164-Y172 HydrophobicContact CG1-CE2 3.84Å; I164-I181 HydrophobicContact CD1-CB 4.11Å; I164-I181 HydrophobicContact CD1-CG2 4.17Å; I164-I181 HydrophobicContact CG2-CB 4.39Å; I164-I181 HydrophobicContact CG2-CD1 3.98Å; I164-I181 HydrophobicContact CG2-CG1 4.37Å; I164-W185 HydrophobicContact CG2-CH2 4.39Å; I164-W185 HydrophobicContact CG2-CZ3 4Å
165S98.1Very high98.3Very high41 Ų4142.2 Ų42.229%0.28726%0.257SS..  trans-149.9176.2-176.874.50000110.6A167 N168 Y169S165-A167 PolarHBondContact O-N 3.35Å; S165-A167 PolarHBondContact OG-N 2.85Å; S165-N168 PolarHBondContact N-OD1 2.91Å; S165-N168 PolarHBondContact O-N 3.47Å; S165-N168 VanDerWaalsContact O-N 3.15Å; S165-N168 PolarHBondContact O-OD1 3.48Å; S165-N168 VanDerWaalsContact O-OD1 3.05Å; S165-Y169 WeakPolarHBondContact O-CB 3.21Å; S165-Y169 WeakPolarHBondContact O-CD1 3.39Å; S165-Y169 PolarHBondContact O-N 3.39Å
166P97.5Very high98.3Very high77 Ų7744.7 Ų44.750%0.527%0.266SS..THydrogen-bonded Turntrans-54-23.3173.4-28.137.2000114.4Y169 W185P166-Y169 WeakPolarHBondContact O-CD1 3.29Å; P166-Y169 WeakPolarHBondContact O-CE1 3.28Å; P166-W185 HydrophobicContact CG-CD2 4.43Å; P166-W185 HydrophobicContact CG-CG 4.28Å
167A97.7Very high98.3Very high91 Ų9145.3 Ų45.375%0.75227%0.27SS*.THydrogen-bonded Turntrans-73.8-26.1-178.700000114.3S165S165-A167 PolarHBondContact O-N 3.35Å; S165-A167 PolarHBondContact OG-N 2.85Å
168N98.3Very high98.3Very high23 Ų2342.9 Ų42.912%0.12326%0.263CS..THydrogen-bonded Turntrans-134.6-11.2-17164.1-3.3000114.7E138 G163 I164 S165 R170 D171E138-N168 PolarHBondContact OE2-ND2 2.78Å; G163-N168 PolarHBondContact O-ND2 2.93Å; I164-N168 WeakPolarHBondContact CA-OD1 3.3Å; S165-N168 PolarHBondContact N-OD1 2.91Å; S165-N168 PolarHBondContact O-N 3.47Å; S165-N168 VanDerWaalsContact O-N 3.15Å; S165-N168 PolarHBondContact O-OD1 3.48Å; S165-N168 VanDerWaalsContact O-OD1 3.05Å; N168-R170 PolarHBondContact O-N 2.86Å; N168-R170 VanDerWaalsContact O-N 3.15Å; N168-D171 WeakPolarHBondContact O-CB 3.14Å; N168-D171 PolarHBondContact O-N 3.47Å
169Y98.4Very high98.3Very high12 Ų1245 Ų455%0.04727%0.274CS..Hα-helixtrans-60.4-29.6-17580.6-57.3000114.2V17 I164 S165 P166 D171 Y172 L173 I181 W185 A207 G210 A211V17-Y169 HydrophobicContact CG2-CD2 4.3Å; V17-Y169 HydrophobicContact CG2-CE2 4.39Å; I164-Y169 VanDerWaalsContact CG2-CB 3.48Å; S165-Y169 WeakPolarHBondContact O-CB 3.21Å; S165-Y169 WeakPolarHBondContact O-CD1 3.39Å; S165-Y169 PolarHBondContact O-N 3.39Å; P166-Y169 WeakPolarHBondContact O-CD1 3.29Å; P166-Y169 WeakPolarHBondContact O-CE1 3.28Å; Y169-D171 VanDerWaalsContact C-N 3.32Å; Y169-D171 PolarHBondContact O-N 2.56Å; Y169-Y172 PolarHBondContact O-N 2.86Å; Y169-L173 HydrophobicContact CD2-CD1 3.72Å; Y169-L173 HydrophobicContact CE2-CD1 4.09Å; Y169-L173 WeakPolarHBondContact O-CG 3.43Å; Y169-L173 PolarHBondContact O-N 2.81Å; Y169-I181 HydrophobicContact CD2-CD1 4.37Å; Y169-I181 HydrophobicContact CD2-CG1 4.38Å; Y169-W185 HydrophobicContact CD2-CH2 4.26Å; Y169-W185 HydrophobicContact CD2-CZ2 4.42Å; Y169-W185 HydrophobicContact CG-CH2 4.28Å; Y169-A207 PolarHBondContact OH-O 3.26Å; Y169-G210 WeakPolarHBondContact OH-CA 3.27Å; Y169-G210 PolarHBondContact OH-O 2.96Å; Y169-G210 VanDerWaalsContact OH-O 3.13Å; Y169-A211 HydrophobicContact CE2-CB 4.07Å; Y169-A211 PolarHBondContact OH-N 2.85Å
170R98Very high98.3Very high96 Ų9644.9 Ų44.936%0.36227%0.273SS..Hα-helixtrans-65.1-34.3175.3-73.4174.166.296-10.3112.4N168 Y172 L173 A174 G210 K212N168-R170 PolarHBondContact O-N 2.86Å; N168-R170 VanDerWaalsContact O-N 3.15Å; R170-Y172 VanDerWaalsContact C-N 3.26Å; R170-Y172 PolarHBondContact O-N 3.14Å; R170-L173 PolarHBondContact O-N 2.87Å; R170-A174 WeakPolarHBondContact O-CB 3.45Å; R170-A174 PolarHBondContact O-N 3.3Å; R170-G210 WeakPolarHBondContact CD-O 3.3Å; R170-G210 PolarHBondContact NH1-O 2.75Å; R170-K212 PolarHBondContact NH1-O 3.19Å
171D98.4Very high98.3Very high96 Ų9644.9 Ų44.951%0.51327%0.273SS..Hα-helixtrans-65-35.8178.5-57.3-28.7000111V143 N168 Y169V143-D171 HydrophobicContact CG2-CB 3.93Å; N168-D171 WeakPolarHBondContact O-CB 3.14Å; N168-D171 PolarHBondContact O-N 3.47Å; Y169-D171 VanDerWaalsContact C-N 3.32Å; Y169-D171 PolarHBondContact O-N 2.56Å
172Y98.7Very high98.3Very high1 Ų144.7 Ų44.70%0.00427%0.272CS..Hα-helixtrans-71.8-48.1172.7-75.2-80.9000112.4A137 E138 G142 V143 L146 P160 I164 Y169 R170 A174 L175 V178 I181A137-Y172 HydrophobicContact CB-CE1 4.15Å; A137-Y172 WeakPolarHBondContact CB-OH 3.31Å; E138-Y172 PolarHBondContact OE1-OH 2.96Å; G142-Y172 WeakPolarHBondContact CA-OH 3.31Å; V143-Y172 HydrophobicContact CG2-CD1 3.88Å; V143-Y172 HydrophobicContact CG2-CD2 4.03Å; V143-Y172 HydrophobicContact CG2-CE1 3.9Å; V143-Y172 HydrophobicContact CG2-CE2 4.04Å; V143-Y172 HydrophobicContact CG2-CG 3.98Å; L146-Y172 HydrophobicContact CD2-CD1 4.2Å; L146-Y172 HydrophobicContact CD2-CE1 4.43Å; P160-Y172 HydrophobicContact CB-CD1 3.62Å; P160-Y172 HydrophobicContact CB-CE1 3.83Å; P160-Y172 HydrophobicContact CB-CG 4.25Å; P160-Y172 HydrophobicContact CG-CD1 3.7Å; P160-Y172 HydrophobicContact CG-CE1 4.28Å; P160-Y172 HydrophobicContact CG-CG 4.4Å; I164-Y172 HydrophobicContact CD1-CD2 4.02Å; I164-Y172 HydrophobicContact CD1-CE2 4.02Å; I164-Y172 HydrophobicContact CD1-CG 4.29Å; I164-Y172 HydrophobicContact CG1-CD2 4.15Å; I164-Y172 HydrophobicContact CG1-CE2 3.84Å; Y169-Y172 PolarHBondContact O-N 2.86Å; R170-Y172 VanDerWaalsContact C-N 3.26Å; R170-Y172 PolarHBondContact O-N 3.14Å; Y172-A174 PolarHBondContact O-N 3.08Å; Y172-L175 WeakPolarHBondContact O-CB 3.45Å; Y172-L175 PolarHBondContact O-N 3.5Å; Y172-V178 WeakPolarHBondContact O-CB 3.48Å; Y172-V178 WeakPolarHBondContact O-CG2 3.44Å; Y172-I181 HydrophobicContact CG-CG2 4.5Å
173L98.5Very high98.2Very high40 Ų4043.9 Ų43.921%0.20926%0.263CS..Hα-helixtrans-63.4-20.8-179.9-69.3173.6000112.9P16 Y169 R170 L175 V178 I181 A211P16-L173 HydrophobicContact CB-CD1 4.21Å; P16-L173 HydrophobicContact CB-CD2 4.45Å; Y169-L173 HydrophobicContact CD2-CD1 3.72Å; Y169-L173 HydrophobicContact CE2-CD1 4.09Å; Y169-L173 WeakPolarHBondContact O-CG 3.43Å; Y169-L173 PolarHBondContact O-N 2.81Å; R170-L173 PolarHBondContact O-N 2.87Å; L173-L175 PolarHBondContact O-N 2.67Å; L173-V178 HydrophobicContact CD2-CG1 4.3Å; L173-I181 HydrophobicContact CD2-CG1 4.32Å; L173-I181 HydrophobicContact CD2-CG2 4.06Å; L173-I181 HydrophobicContact CG-CG1 4.41Å; L173-I181 HydrophobicContact CG-CG2 4.24Å; L173-A211 HydrophobicContact CD1-CB 3.8Å
174A98.1Very high98.2Very high75 Ų7544.8 Ų44.862%0.6226%0.261SS*.THydrogen-bonded Turntrans-71.2-15173.400000113.8R170 Y172R170-A174 WeakPolarHBondContact O-CB 3.45Å; R170-A174 PolarHBondContact O-N 3.3Å; Y172-A174 PolarHBondContact O-N 3.08Å
175L98.3Very high98.1Very high20 Ų2046 Ų4611%0.10526%0.264CS..SBendtrans-80.5130.7179.5-59.3-174.2000111.7V143 L146 Q147 Y172 L173 S177 V178V143-L175 HydrophobicContact CG1-CD1 4.08Å; V143-L175 HydrophobicContact CG1-CD2 4.06Å; V143-L175 HydrophobicContact CG1-CG 4.33Å; L146-L175 HydrophobicContact CB-CD1 4.42Å; L146-L175 HydrophobicContact CD2-CD1 3.97Å; L146-L175 HydrophobicContact CG-CD1 4.19Å; Q147-L175 HydrophobicContact CG-CD1 4Å; Q147-L175 HydrophobicContact CG-CD2 3.59Å; Q147-L175 HydrophobicContact CG-CG 4.45Å; Q147-L175 VanDerWaalsContact NE2-CD2 3.27Å; Y172-L175 WeakPolarHBondContact O-CB 3.45Å; Y172-L175 PolarHBondContact O-N 3.5Å; L173-L175 PolarHBondContact O-N 2.67Å; L175-S177 PolarHBondContact O-N 2.99Å; L175-S177 VanDerWaalsContact O-N 3.1Å; L175-V178 HydrophobicContact CB-CB 4.22Å; L175-V178 HydrophobicContact CB-CG2 3.82Å; L175-V178 HydrophobicContact CD1-CG2 4.16Å; L175-V178 HydrophobicContact CG-CG2 4.48Å; L175-V178 PolarHBondContact O-N 3.35Å
176K97.6Very high98.1Very high200 Ų20044 Ų4487%0.8725%0.251SS*.THydrogen-bonded Turntrans-59.7-24.1175.7-67.1-173.1177.1-179.60114.3V178K176-V178 VanDerWaalsContact C-N 3.28Å
177S98.7Very high98.1Very high18 Ų1841 Ų4113%0.12623%0.231CC..THydrogen-bonded Turntrans-81.2-7177.758.10000112.8R157 F158 L175R157-S177 CarbonylContact C-O 3.58Å; R157-S177 VanDerWaalsContact CA-O 3.3Å; R157-S177 WeakPolarHBondContact CA-O 3.46Å; F158-S177 PolarHBondContact N-O 3.11Å; L175-S177 PolarHBondContact O-N 2.99Å; L175-S177 VanDerWaalsContact O-N 3.1Å
178V98.8Very high98.1Very high13 Ų1337.7 Ų37.78%0.07920%0.202CC..BIsolated β-bridgetrans-105.2129.5-176.8174.40000110L146 F158 P160 Y172 L173 L175 K176 C180 I181L146-V178 HydrophobicContact CD2-CG2 3.69Å; F158-V178 WeakPolarHBondContact O-CA 3.35Å; P160-V178 HydrophobicContact CG-CG1 4.12Å; P160-V178 HydrophobicContact CG-CG2 3.7Å; Y172-V178 WeakPolarHBondContact O-CB 3.48Å; Y172-V178 WeakPolarHBondContact O-CG2 3.44Å; L173-V178 HydrophobicContact CD2-CG1 4.3Å; L175-V178 HydrophobicContact CB-CB 4.22Å; L175-V178 HydrophobicContact CB-CG2 3.82Å; L175-V178 HydrophobicContact CD1-CG2 4.16Å; L175-V178 HydrophobicContact CG-CG2 4.48Å; L175-V178 PolarHBondContact O-N 3.35Å; K176-V178 VanDerWaalsContact C-N 3.28Å; V178-C180 VanDerWaalsContact CG1-O 3.27Å; V178-C180 WeakPolarHBondContact CG1-O 3.2Å; V178-I181 HydrophobicContact CG1-CG2 4.14Å
179L98.6Very high97.9Very high44 Ų4439.4 Ų39.423%0.2322%0.219CC..SBendtrans-97.2-39.5176.1-66.3176.5000112.2E9 L12 T13 E131 R157 F158E9-L179 HydrophobicContact CG-CD1 4.43Å; L12-L179 HydrophobicContact CB-CB 3.99Å; L12-L179 HydrophobicContact CB-CD1 3.86Å; L12-L179 HydrophobicContact CD1-CD1 4.33Å; T13-L179 HydrophobicContact CG2-CD1 4.06Å; T13-L179 HydrophobicContact CG2-CD2 4.05Å; T13-L179 HydrophobicContact CG2-CG 4.46Å; E131-L179 HydrophobicContact CG-CD1 4.38Å; R157-L179 HydrophobicContact CB-CD1 3.55Å; R157-L179 HydrophobicContact CB-CD2 4.47Å; R157-L179 HydrophobicContact CB-CG 3.75Å; R157-L179 HydrophobicContact CG-CD1 3.88Å; R157-L179 HydrophobicContact CG-CD2 4.1Å; R157-L179 HydrophobicContact CG-CG 3.93Å; F158-L179 PolarHBondContact O-N 3.36Å
180C98.8Very high97.9Very high0 Ų043.1 Ų43.10%024%0.24CC..  trans-156178.617764.30000108.6L12 G15 P16 C159 P160 V178L12-C180 WeakPolarHBondContact O-CB 3.18Å; L12-C180 PolarHBondContact O-SG 3.05Å; L12-C180 VanDerWaalsContact O-SG 3.34Å; G15-C180 WeakPolarHBondContact O-CB 3.29Å; P16-C180 CarbonylContact O-C 3.49Å; P16-C180 VanDerWaalsContact O-CA 3.32Å; P16-C180 WeakPolarHBondContact O-CA 3.42Å; P16-C180 WeakPolarHBondContact O-CB 3.25Å; C159-C180 WeakPolarHBondContact CA-O 3.19Å; C159-C180 VanDerWaalsContact SG-SG 3.62Å; P160-C180 WeakPolarHBondContact CD-O 3.36Å; V178-C180 VanDerWaalsContact CG1-O 3.27Å; V178-C180 WeakPolarHBondContact CG1-O 3.2Å
181I98.8Very high97.9Very high0 Ų038.6 Ų38.60%022%0.223CC..EExtended strand (participates in β ladder)trans-127160.6174.455.785.4000109.9P16 V17 V18 C159 P160 I164 Y169 Y172 L173 V178 W185P16-I181 PolarHBondContact O-N 3.36Å; V17-I181 CarbonylContact C-O 3.37Å; V17-I181 WeakPolarHBondContact CA-O 3.45Å; V17-I181 HydrophobicContact CB-CD1 4.1Å; V17-I181 HydrophobicContact CG1-CD1 3.66Å; V17-I181 HydrophobicContact CG2-CD1 3.78Å; V17-I181 HydrophobicContact CG2-CG1 4.24Å; V18-I181 PolarHBondContact N-O 3.21Å; C159-I181 VanDerWaalsContact SG-C 3.57Å; P160-I181 HydrophobicContact CB-CG2 4.38Å; P160-I181 HydrophobicContact CG-CG2 4.35Å; P160-I181 CarbonylContact O-C 3.38Å; P160-I181 WeakPolarHBondContact O-CA 3.41Å; I164-I181 HydrophobicContact CD1-CB 4.11Å; I164-I181 HydrophobicContact CD1-CG2 4.17Å; I164-I181 HydrophobicContact CG2-CB 4.39Å; I164-I181 HydrophobicContact CG2-CD1 3.98Å; I164-I181 HydrophobicContact CG2-CG1 4.37Å; Y169-I181 HydrophobicContact CD2-CD1 4.37Å; Y169-I181 HydrophobicContact CD2-CG1 4.38Å; Y172-I181 HydrophobicContact CG-CG2 4.5Å; L173-I181 HydrophobicContact CD2-CG1 4.32Å; L173-I181 HydrophobicContact CD2-CG2 4.06Å; L173-I181 HydrophobicContact CG-CG1 4.41Å; L173-I181 HydrophobicContact CG-CG2 4.24Å; V178-I181 HydrophobicContact CG1-CG2 4.14Å; I181-W185 HydrophobicContact CD1-CH2 3.39Å; I181-W185 HydrophobicContact CD1-CZ3 3.8Å
182G98.6Very high97.8Very high0 Ų034.3 Ų34.30%020%0.2CC..EExtended strand (participates in β ladder)trans-111.6138.617200000111.9V18 P160 T161V18-G182 VanDerWaalsContact O-CA 3.28Å; V18-G182 WeakPolarHBondContact O-CA 3.46Å; P160-G182 PolarHBondContact O-N 3.07Å; T161-G182 WeakPolarHBondContact OG1-CA 3.37Å
183G96.7Very high97.7Very high5 Ų539.6 Ų39.65%0.05222%0.224CC..EExtended strand (participates in β ladder)trans-160.1149.8175.900000114.3V18 P19 V20V18-G183 PolarHBondContact O-N 3.34Å; V18-G183 VanDerWaalsContact O-N 3.12Å; P19-G183 WeakPolarHBondContact CA-O 3.34Å; V20-G183 PolarHBondContact N-O 3.39Å
184S96.9Very high97.7Very high76 Ų7641.6 Ų41.653%0.53125%0.247SC..SBendtrans-87.7-10.7-179.7560000113.6L186 V187S184-L186 PolarHBondContact O-N 2.98Å; S184-L186 VanDerWaalsContact O-N 3.12Å; S184-V187 CarbonylContact O-C 3.53Å; S184-V187 PolarHBondContact O-N 3.33Å
185W97.4Very high97.7Very high38 Ų3839.3 Ų39.314%0.14423%0.231CC..THydrogen-bonded Turntrans-66.5-17.4-173.583.787.1000113.7V17 I164 P166 Y169 I181 V187 P188 A207V17-W185 HydrophobicContact CG1-CH2 4.01Å; V17-W185 HydrophobicContact CG1-CZ2 4.26Å; I164-W185 HydrophobicContact CG2-CH2 4.39Å; I164-W185 HydrophobicContact CG2-CZ3 4Å; P166-W185 HydrophobicContact CG-CD2 4.43Å; P166-W185 HydrophobicContact CG-CG 4.28Å; Y169-W185 HydrophobicContact CD2-CH2 4.26Å; Y169-W185 HydrophobicContact CD2-CZ2 4.42Å; Y169-W185 HydrophobicContact CG-CH2 4.28Å; I181-W185 HydrophobicContact CD1-CH2 3.39Å; I181-W185 HydrophobicContact CD1-CZ3 3.8Å; W185-V187 VanDerWaalsContact C-N 3.27Å; W185-P188 WeakPolarHBondContact O-CD 2.93Å; W185-P188 WeakPolarHBondContact O-CG 3.24Å; W185-A207 HydrophobicContact CZ2-CB 4.07Å
186L97.6Very high97.7Very high0 Ų041.3 Ų41.30%024%0.242CC..THydrogen-bonded Turntrans-70.1-27176-83.572.2000111.8V17 P19 L36 V41 S184 P188 A207V17-L186 HydrophobicContact CB-CD2 4.45Å; V17-L186 HydrophobicContact CG1-CD1 3.63Å; V17-L186 HydrophobicContact CG1-CD2 3.82Å; V17-L186 HydrophobicContact CG1-CG 4.42Å; P19-L186 HydrophobicContact CB-CB 4.02Å; P19-L186 HydrophobicContact CB-CD2 4.09Å; L36-L186 HydrophobicContact CD2-CB 4.22Å; L36-L186 HydrophobicContact CD2-CD2 4.45Å; V41-L186 HydrophobicContact CB-CD2 4.45Å; V41-L186 HydrophobicContact CG1-CD2 4.1Å; V41-L186 HydrophobicContact CG2-CD2 3.86Å; S184-L186 PolarHBondContact O-N 2.98Å; S184-L186 VanDerWaalsContact O-N 3.12Å; L186-P188 VanDerWaalsContact C-CD 3.48Å; L186-A207 HydrophobicContact CD1-CB 4.14Å; L186-A207 HydrophobicContact CD2-CB 4.46Å; L186-A207 HydrophobicContact CG-CB 4.37Å
187V98Very high97.7Very high13 Ų1334.7 Ų34.78%0.07921%0.212CC..SBendtrans-127.773179.2-170.70000109.1P19 I21 M32 L36 S184 W185 A189 L192 I200P19-V187 HydrophobicContact CB-CG2 4.33Å; I21-V187 HydrophobicContact CG1-CG2 4.08Å; M32-V187 HydrophobicContact CG-CG1 3.98Å; M32-V187 HydrophobicContact CG-CG2 4.34Å; M32-V187 HydrophobicContact SD-CG1 3.64Å; M32-V187 HydrophobicContact SD-CG2 4.28Å; L36-V187 HydrophobicContact CD1-CG2 3.84Å; L36-V187 HydrophobicContact CD2-CG2 3.92Å; L36-V187 HydrophobicContact CG-CG2 4.32Å; S184-V187 CarbonylContact O-C 3.53Å; S184-V187 PolarHBondContact O-N 3.33Å; W185-V187 VanDerWaalsContact C-N 3.27Å; V187-A189 PolarHBondContact O-N 3.46Å; V187-L192 HydrophobicContact CG1-CB 4.5Å; V187-L192 HydrophobicContact CG1-CD1 4.17Å; V187-L192 HydrophobicContact CG1-CD2 4.22Å; V187-I200 HydrophobicContact CG1-CD1 4.26Å
188P96.8Very high97.7Very high22 Ų2240.4 Ų40.414%0.14324%0.241CC..  trans-58.9138.5174.3-20.733.5000110.7W185 L186 D190 A191 L192 L203W185-P188 WeakPolarHBondContact O-CD 2.93Å; W185-P188 WeakPolarHBondContact O-CG 3.24Å; L186-P188 VanDerWaalsContact C-CD 3.48Å; P188-D190 WeakPolarHBondContact CB-OD1 3.45Å; P188-D190 PolarHBondContact O-N 2.95Å; P188-A191 HydrophobicContact CB-CB 4.13Å; P188-A191 HydrophobicContact CG-CB 4.33Å; P188-A191 PolarHBondContact O-N 2.91Å; P188-A191 VanDerWaalsContact O-N 3.15Å; P188-L192 PolarHBondContact O-N 3.02Å; P188-L192 VanDerWaalsContact O-N 3.07Å; P188-L203 HydrophobicContact CG-CD1 3.63Å
189A95.2Very high97.7Very high59 Ų5944.3 Ų44.349%0.48825%0.254SS..Hα-helixtrans-59.8-37.2-178.800000112.1V187 L192 E193V187-A189 PolarHBondContact O-N 3.46Å; A189-L192 PolarHBondContact O-N 3.44Å; A189-E193 WeakPolarHBondContact O-CB 3.47Å; A189-E193 WeakPolarHBondContact O-CG 3.38Å; A189-E193 PolarHBondContact O-N 3.06Å
190D97.4Very high97.7Very high89 Ų8942.2 Ų42.248%0.47624%0.243SC..Hα-helixtrans-65.5-40.7176.661.6-53000112.3P188 L192 A194 R199P188-D190 WeakPolarHBondContact CB-OD1 3.45Å; P188-D190 PolarHBondContact O-N 2.95Å; D190-L192 VanDerWaalsContact C-N 3.33Å; D190-L192 PolarHBondContact O-N 2.93Å; D190-A194 VanDerWaalsContact O-CB 3.23Å; D190-A194 WeakPolarHBondContact O-CB 3.1Å; D190-A194 PolarHBondContact O-N 3.11Å; D190-R199 IonicContact OD2-CZ 3.88Å; D190-R199 IonicContact OD2-NH1 3.39Å; D190-R199 PolarHBondContact OD2-NH1 3.31Å; D190-R199 IonicContact OD2-NH2 3.49Å; D190-R199 PolarHBondContact OD2-NH2 3.43Å
191A98Very high97.8Very high1 Ų143.2 Ų43.21%0.00825%0.249CC..Hα-helixtrans-64.6-40.6175.900000111.3P188 G195 D196 I200P188-A191 HydrophobicContact CB-CB 4.13Å; P188-A191 HydrophobicContact CG-CB 4.33Å; P188-A191 PolarHBondContact O-N 2.91Å; P188-A191 VanDerWaalsContact O-N 3.15Å; A191-G195 PolarHBondContact O-N 3.16Å; A191-G195 VanDerWaalsContact O-N 3.14Å; A191-D196 HydrophobicContact CB-CB 4.36Å; A191-D196 PolarHBondContact O-N 3.34Å; A191-I200 HydrophobicContact CB-CD1 4.5Å; A191-I200 HydrophobicContact CB-CG1 4.16Å
192L96.1Very high97.7Very high7 Ų749 Ų494%0.03727%0.274CS..Hα-helixtrans-68.3-45.4178.8-159.266.1000111.7V23 H28 M32 V187 P188 A189 D190 A194 G195 Y197 I200V23-L192 HydrophobicContact CB-CD2 4.26Å; V23-L192 HydrophobicContact CG2-CD2 4.22Å; H28-L192 HydrophobicContact CB-CD1 3.81Å; H28-L192 HydrophobicContact CB-CD2 4.38Å; H28-L192 HydrophobicContact CB-CG 3.9Å; H28-L192 PolarHBondContact CE1-O 2.93Å; H28-L192 VanDerWaalsContact CE1-O 3.29Å; H28-L192 PolarHBondContact NE2-O 2.87Å; M32-L192 HydrophobicContact CB-CD1 3.7Å; M32-L192 HydrophobicContact CG-CD1 3.73Å; M32-L192 HydrophobicContact SD-CD1 3.92Å; M32-L192 HydrophobicContact SD-CD2 4.38Å; V187-L192 HydrophobicContact CG1-CB 4.5Å; V187-L192 HydrophobicContact CG1-CD1 4.17Å; V187-L192 HydrophobicContact CG1-CD2 4.22Å; P188-L192 PolarHBondContact O-N 3.02Å; P188-L192 VanDerWaalsContact O-N 3.07Å; A189-L192 PolarHBondContact O-N 3.44Å; D190-L192 VanDerWaalsContact C-N 3.33Å; D190-L192 PolarHBondContact O-N 2.93Å; L192-A194 VanDerWaalsContact C-N 3.3Å; L192-A194 PolarHBondContact O-N 3.47Å; L192-G195 PolarHBondContact O-N 3.11Å; L192-Y197 HydrophobicContact CD1-CE1 4.44Å; L192-I200 HydrophobicContact CD1-CD1 4.09Å
193E96.8Very high97.8Very high111 Ų11150.4 Ų50.452%0.51928%0.282SS..Hα-helixtrans-64.8-32.6177.9-74.4179.7-173.100112.5K24 A189K24-E193 IonicContact NZ-OE1 3.47Å; K24-E193 PolarHBondContact NZ-OE1 3.25Å; A189-E193 WeakPolarHBondContact O-CB 3.47Å; A189-E193 WeakPolarHBondContact O-CG 3.38Å; A189-E193 PolarHBondContact O-N 3.06Å
194A98Very high97.9Very high82 Ų8250.1 Ų50.168%0.67828%0.279SS*.Hα-helixtrans-82.3-9.1175.800000114.3D190 L192 D196D190-A194 VanDerWaalsContact O-CB 3.23Å; D190-A194 WeakPolarHBondContact O-CB 3.1Å; D190-A194 PolarHBondContact O-N 3.11Å; L192-A194 VanDerWaalsContact C-N 3.3Å; L192-A194 PolarHBondContact O-N 3.47Å; A194-D196 VanDerWaalsContact C-N 3.26Å; A194-D196 HydrophobicContact CB-CB 4.46Å; A194-D196 PolarHBondContact O-N 3.47Å
195G97.9Very high97.9Very high28 Ų2852.1 Ų52.129%0.28928%0.275SS..THydrogen-bonded Turntrans67.225.1-172.100000113.9A191 L192 Y197A191-G195 PolarHBondContact O-N 3.16Å; A191-G195 VanDerWaalsContact O-N 3.14Å; L192-G195 PolarHBondContact O-N 3.11Å; G195-Y197 WeakPolarHBondContact O-CD2 3.47Å; G195-Y197 PolarHBondContact O-N 3.26Å
196D98.6Very high98Very high61 Ų6155.1 Ų55.133%0.32629%0.29SS..  trans-81.667.2-179.3-171.7-1.5000111A191 A194 D198 R199 I200A191-D196 HydrophobicContact CB-CB 4.36Å; A191-D196 PolarHBondContact O-N 3.34Å; A194-D196 VanDerWaalsContact C-N 3.26Å; A194-D196 HydrophobicContact CB-CB 4.46Å; A194-D196 PolarHBondContact O-N 3.47Å; D196-D198 VanDerWaalsContact C-N 3.26Å; D196-D198 PolarHBondContact O-N 2.81Å; D196-R199 HydrophobicContact CB-CB 4.29Å; D196-R199 PolarHBondContact O-N 3.17Å; D196-R199 WeakPolarHBondContact OD1-CB 3.48Å; D196-R199 PolarHBondContact OD1-N 2.96Å; D196-R199 WeakPolarHBondContact OD2-CB 3.45Å; D196-R199 WeakPolarHBondContact OD2-CD 3.12Å; D196-I200 PolarHBondContact O-N 3.38Å
197Y98.8Very high98Very high62 Ų6255.3 Ų55.324%0.24329%0.292CS..Hα-helixtrans-69.1-24.7-179.1-55.4-59.3000112.7H28 P31 M32 A35 L192 G195 I200 T201H28-Y197 PolarHBondContact ND1-OH 2.98Å; P31-Y197 HydrophobicContact CB-CD1 4.04Å; P31-Y197 HydrophobicContact CB-CD2 4.11Å; P31-Y197 HydrophobicContact CB-CE1 3.63Å; P31-Y197 HydrophobicContact CB-CE2 3.69Å; P31-Y197 HydrophobicContact CB-CG 4.28Å; P31-Y197 VanDerWaalsContact CB-CZ 3.43Å; P31-Y197 HydrophobicContact CG-CE2 4.5Å; M32-Y197 HydrophobicContact CB-CE1 4.43Å; A35-Y197 WeakPolarHBondContact CB-O 3.39Å; L192-Y197 HydrophobicContact CD1-CE1 4.44Å; G195-Y197 WeakPolarHBondContact O-CD2 3.47Å; G195-Y197 PolarHBondContact O-N 3.26Å; Y197-I200 HydrophobicContact CD1-CD1 4.33Å; Y197-I200 PolarHBondContact O-N 2.98Å; Y197-T201 WeakPolarHBondContact O-CB 3.28Å; Y197-T201 PolarHBondContact O-N 3.45Å; Y197-T201 PolarHBondContact O-OG1 3.45Å
198D98.8Very high98Very high137 Ų13755.8 Ų55.873%0.73330%0.295SS*.Hα-helixtrans-66.1-42173.7-76.8-36.5000111.1D196 T201 K202D196-D198 VanDerWaalsContact C-N 3.26Å; D196-D198 PolarHBondContact O-N 2.81Å; D198-T201 WeakPolarHBondContact O-CB 3.49Å; D198-T201 PolarHBondContact O-N 3.28Å; D198-K202 WeakPolarHBondContact O-CB 3.48Å; D198-K202 PolarHBondContact O-N 2.97Å
199R98.7Very high98.1Very high96 Ų9659.5 Ų59.536%0.36231%0.311SS..Hα-helixtrans-63.3-41.1173.2-179175.8170.6-155.6-6.4112.2D190 D196 T201 K202 L203D190-R199 IonicContact OD2-CZ 3.88Å; D190-R199 IonicContact OD2-NH1 3.39Å; D190-R199 PolarHBondContact OD2-NH1 3.31Å; D190-R199 IonicContact OD2-NH2 3.49Å; D190-R199 PolarHBondContact OD2-NH2 3.43Å; D196-R199 HydrophobicContact CB-CB 4.29Å; D196-R199 PolarHBondContact O-N 3.17Å; D196-R199 WeakPolarHBondContact OD1-CB 3.48Å; D196-R199 PolarHBondContact OD1-N 2.96Å; D196-R199 WeakPolarHBondContact OD2-CB 3.45Å; D196-R199 WeakPolarHBondContact OD2-CD 3.12Å; R199-T201 VanDerWaalsContact C-N 3.34Å; R199-T201 PolarHBondContact O-N 2.9Å; R199-K202 PolarHBondContact O-N 3.12Å; R199-L203 HydrophobicContact CG-CD1 3.97Å; R199-L203 HydrophobicContact CG-CG 4.37Å; R199-L203 WeakPolarHBondContact O-CB 3.34Å; R199-L203 VanDerWaalsContact O-CG 3.28Å; R199-L203 WeakPolarHBondContact O-CG 3.42Å; R199-L203 PolarHBondContact O-N 3.03Å
200I98.8Very high98.2Very high0 Ų057.9 Ų57.90%030%0.3CS..Hα-helixtrans-60.2-45.6174.8-67.5172.6000110.6M32 A35 L36 V187 A191 L192 D196 Y197 K202 L203 A204M32-I200 HydrophobicContact CG-CD1 4.23Å; A35-I200 HydrophobicContact CB-CB 4.19Å; A35-I200 HydrophobicContact CB-CG2 3.92Å; L36-I200 HydrophobicContact CD2-CG2 3.68Å; L36-I200 HydrophobicContact CG-CG2 3.82Å; V187-I200 HydrophobicContact CG1-CD1 4.26Å; A191-I200 HydrophobicContact CB-CD1 4.5Å; A191-I200 HydrophobicContact CB-CG1 4.16Å; L192-I200 HydrophobicContact CD1-CD1 4.09Å; D196-I200 PolarHBondContact O-N 3.38Å; Y197-I200 HydrophobicContact CD1-CD1 4.33Å; Y197-I200 PolarHBondContact O-N 2.98Å; I200-K202 VanDerWaalsContact C-N 3.31Å; I200-K202 PolarHBondContact O-N 3.34Å; I200-L203 PolarHBondContact O-N 3.39Å; I200-A204 WeakPolarHBondContact O-CB 3.23Å; I200-A204 PolarHBondContact O-N 3.49Å
201T98.9Very high98.2Very high20 Ų2054.7 Ų54.712%0.12329%0.285CS..Hα-helixtrans-58.2-44.1176.4-590000111.5A35 A38 G39 Y197 D198 R199 R205A35-T201 WeakPolarHBondContact CA-OG1 3.36Å; A35-T201 WeakPolarHBondContact CB-OG1 3.32Å; A35-T201 WeakPolarHBondContact O-CA 3.18Å; A35-T201 PolarHBondContact O-OG1 3.33Å; A38-T201 HydrophobicContact CB-CG2 3.97Å; G39-T201 WeakPolarHBondContact CA-O 3.46Å; Y197-T201 WeakPolarHBondContact O-CB 3.28Å; Y197-T201 PolarHBondContact O-N 3.45Å; Y197-T201 PolarHBondContact O-OG1 3.45Å; D198-T201 WeakPolarHBondContact O-CB 3.49Å; D198-T201 PolarHBondContact O-N 3.28Å; R199-T201 VanDerWaalsContact C-N 3.34Å; R199-T201 PolarHBondContact O-N 2.9Å; T201-R205 PolarHBondContact O-N 2.89Å; T201-R205 VanDerWaalsContact O-N 3.08Å
202K98.8Very high97.8Very high121 Ų12160.2 Ų60.253%0.52631%0.309SS..Hα-helixtrans-64.3-48.6177.6-179.9175.2170.6179.50111.7D198 R199 I200 A204 R205 E206D198-K202 WeakPolarHBondContact O-CB 3.48Å; D198-K202 PolarHBondContact O-N 2.97Å; R199-K202 PolarHBondContact O-N 3.12Å; I200-K202 VanDerWaalsContact C-N 3.31Å; I200-K202 PolarHBondContact O-N 3.34Å; K202-A204 VanDerWaalsContact C-N 3.32Å; K202-A204 PolarHBondContact O-N 3.38Å; K202-R205 PolarHBondContact O-N 2.85Å; K202-E206 WeakPolarHBondContact CE-OE1 3.3Å; K202-E206 HydrophobicContact CG-CG 4.32Å; K202-E206 WeakPolarHBondContact CG-OE1 3.49Å; K202-E206 IonicContact NZ-OE1 3.1Å; K202-E206 WeakPolarHBondContact O-CB 3.4Å; K202-E206 VanDerWaalsContact O-CG 3.29Å; K202-E206 WeakPolarHBondContact O-CG 3.45Å; K202-E206 PolarHBondContact O-N 2.93Å
203L98.7Very high96.3Very high30 Ų3069.6 Ų69.616%0.15736%0.358CS..Hα-helixtrans-59.6-42.2178.6-73167000112.1P188 R199 I200 A207P188-L203 HydrophobicContact CG-CD1 3.63Å; R199-L203 HydrophobicContact CG-CD1 3.97Å; R199-L203 HydrophobicContact CG-CG 4.37Å; R199-L203 WeakPolarHBondContact O-CB 3.34Å; R199-L203 VanDerWaalsContact O-CG 3.28Å; R199-L203 WeakPolarHBondContact O-CG 3.42Å; R199-L203 PolarHBondContact O-N 3.03Å; I200-L203 PolarHBondContact O-N 3.39Å; L203-A207 WeakPolarHBondContact O-CB 2.78Å; L203-A207 PolarHBondContact O-N 3.09Å
204A98.7Very high96.3Very high0 Ų067.5 Ų67.50%035%0.35CS..Hα-helixtrans-61.3-47175.400000111.6L36 G39 V41 I200 K202 A207 V208L36-A204 HydrophobicContact CD2-CB 4.12Å; G39-A204 CarbonylContact O-C 3.54Å; V41-A204 HydrophobicContact CB-CB 4.21Å; V41-A204 HydrophobicContact CG2-CB 3.76Å; I200-A204 WeakPolarHBondContact O-CB 3.23Å; I200-A204 PolarHBondContact O-N 3.49Å; K202-A204 VanDerWaalsContact C-N 3.32Å; K202-A204 PolarHBondContact O-N 3.38Å; A204-A207 PolarHBondContact O-N 3.32Å; A204-V208 WeakPolarHBondContact O-CG2 3.4Å; A204-V208 PolarHBondContact O-N 3.47Å
205R98.7Very high96.2Very high118 Ų11866.7 Ų66.745%0.44533%0.333SS..Hα-helixtrans-63.1-45.6177.5-171176.6-59.8113.46.8112.2A38 G39 T201 K202 A207 V208 E209A38-R205 PolarHBondContact O-NH2 3.16Å; G39-R205 WeakPolarHBondContact O-CA 3.33Å; G39-R205 PolarHBondContact O-N 3.06Å; T201-R205 PolarHBondContact O-N 2.89Å; T201-R205 VanDerWaalsContact O-N 3.08Å; K202-R205 PolarHBondContact O-N 2.85Å; R205-A207 VanDerWaalsContact C-N 3.3Å; R205-A207 PolarHBondContact O-N 3.45Å; R205-V208 PolarHBondContact O-N 3.35Å; R205-E209 HydrophobicContact CG-CG 4.26Å; R205-E209 WeakPolarHBondContact O-CB 3.41Å; R205-E209 WeakPolarHBondContact O-CG 3.41Å; R205-E209 PolarHBondContact O-N 2.81Å
206E98.4Very high96.1Very high100 Ų10068.9 Ų68.947%0.46734%0.335SS..Hα-helixtrans-59.8-41.3176.9-73.5170.5168.100111.6K202 G210K202-E206 WeakPolarHBondContact CE-OE1 3.3Å; K202-E206 HydrophobicContact CG-CG 4.32Å; K202-E206 WeakPolarHBondContact CG-OE1 3.49Å; K202-E206 IonicContact NZ-OE1 3.1Å; K202-E206 WeakPolarHBondContact O-CB 3.4Å; K202-E206 VanDerWaalsContact O-CG 3.29Å; K202-E206 WeakPolarHBondContact O-CG 3.45Å; K202-E206 PolarHBondContact O-N 2.93Å; E206-G210 PolarHBondContact O-N 2.9Å
207A98.4Very high96Very high4 Ų469.4 Ų69.43%0.03334%0.336CS..Hα-helixtrans-63.6-44.8176.900000112.1V17 Y169 W185 L186 L203 A204 R205 A211V17-A207 HydrophobicContact CG2-CB 4.19Å; Y169-A207 PolarHBondContact OH-O 3.26Å; W185-A207 HydrophobicContact CZ2-CB 4.07Å; L186-A207 HydrophobicContact CD1-CB 4.14Å; L186-A207 HydrophobicContact CD2-CB 4.46Å; L186-A207 HydrophobicContact CG-CB 4.37Å; L203-A207 WeakPolarHBondContact O-CB 2.78Å; L203-A207 PolarHBondContact O-N 3.09Å; A204-A207 PolarHBondContact O-N 3.32Å; R205-A207 VanDerWaalsContact C-N 3.3Å; R205-A207 PolarHBondContact O-N 3.45Å; A207-A211 WeakPolarHBondContact O-CB 3.26Å; A207-A211 PolarHBondContact O-N 2.79Å; A207-A211 VanDerWaalsContact O-N 3.15Å
208V98.3Very high95.8Very high23 Ų2369.8 Ų69.814%0.13934%0.342CS..Hα-helixtrans-67.3-46.2178.9172.50000111.8P16 V41 A204 R205 A211P16-V208 HydrophobicContact CG-CG2 4.49Å; V41-V208 HydrophobicContact CG2-CG2 3.62Å; A204-V208 WeakPolarHBondContact O-CG2 3.4Å; A204-V208 PolarHBondContact O-N 3.47Å; R205-V208 PolarHBondContact O-N 3.35Å; V208-A211 WeakPolarHBondContact O-CB 3.42Å; V208-A211 PolarHBondContact O-N 2.99Å
209E98.1Very high95.6Very high101 Ų10165.3 Ų65.347%0.47232%0.316SS..Hα-helixtrans-69-43179.8-67.1-50.9126.200111.5R205 A211 K212R205-E209 HydrophobicContact CG-CG 4.26Å; R205-E209 WeakPolarHBondContact O-CB 3.41Å; R205-E209 WeakPolarHBondContact O-CG 3.41Å; R205-E209 PolarHBondContact O-N 2.81Å; E209-A211 PolarHBondContact O-N 3.46Å; E209-K212 WeakPolarHBondContact O-CB 2.97Å; E209-K212 PolarHBondContact O-N 3.36Å; E209-K212 VanDerWaalsContact O-N 3.1Å; E209-K212 IonicContact OE1-NZ 3.23Å; E209-K212 PolarHBondContact OE1-NZ 3.04Å; E209-K212 IonicContact OE2-NZ 2.7Å; E209-K212 PolarHBondContact OE2-NZ 3.09Å
210G97.3Very high95.4Very high25 Ų2563.1 Ų63.126%0.25831%0.312SS..Hα-helixtrans-69.7-12.4177.700000114.1Y169 R170 E206 K212Y169-G210 WeakPolarHBondContact OH-CA 3.27Å; Y169-G210 PolarHBondContact OH-O 2.96Å; Y169-G210 VanDerWaalsContact OH-O 3.13Å; R170-G210 WeakPolarHBondContact CD-O 3.3Å; R170-G210 PolarHBondContact NH1-O 2.75Å; E206-G210 PolarHBondContact O-N 2.9Å; G210-K212 VanDerWaalsContact C-N 3.3Å
211A97.2Very high95.1Very high21 Ų2168 Ų6817%0.17434%0.336CS..THydrogen-bonded Turntrans-76.6-19.2172.400000112.6P16 Y169 L173 A207 V208 E209P16-A211 HydrophobicContact CB-CB 3.47Å; P16-A211 VanDerWaalsContact CB-CB 3.47Å; P16-A211 HydrophobicContact CG-CB 3.55Å; Y169-A211 HydrophobicContact CE2-CB 4.07Å; Y169-A211 PolarHBondContact OH-N 2.85Å; L173-A211 HydrophobicContact CD1-CB 3.8Å; A207-A211 WeakPolarHBondContact O-CB 3.26Å; A207-A211 PolarHBondContact O-N 2.79Å; A207-A211 VanDerWaalsContact O-N 3.15Å; V208-A211 WeakPolarHBondContact O-CB 3.42Å; V208-A211 PolarHBondContact O-N 2.99Å; E209-A211 PolarHBondContact O-N 3.46Å
212K89Confident94.8Very high117 Ų11772 Ų7251%0.50935%0.354SS..  trans-77.1130.7175.8-56.9172.5-167.7166.50108.2R170 E209 G210R170-K212 PolarHBondContact NH1-O 3.19Å; E209-K212 WeakPolarHBondContact O-CB 2.97Å; E209-K212 PolarHBondContact O-N 3.36Å; E209-K212 VanDerWaalsContact O-N 3.1Å; E209-K212 IonicContact OE1-NZ 3.23Å; E209-K212 PolarHBondContact OE1-NZ 3.04Å; E209-K212 IonicContact OE2-NZ 2.7Å; E209-K212 PolarHBondContact OE2-NZ 3.09Å; G210-K212 VanDerWaalsContact C-N 3.3Å
213L65.9Low94.4Very high204 Ų20467.5 Ų67.5100%1.06834%0.338SS*.  trans-72.60173.6-69.5-179000110.4

Retrieved 213 of 213 residues in 191 ms (Link to these results)

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