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Proteasome subunit alpha type

The proteasome is a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity.

AlphaFold DB , UniProt , Accession A0A077Z826, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 239 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
1M64Low76.1Confident203 Ų20396.8 Ų96.8100%147%0.467SS*.  0129.40-167.6173.4-133.900106.8Y8 P17M1-Y8 WeakPolarHBondContact CG-OH 3.38Å; M1-P17 HydrophobicContact CE-CG 4.49Å
2F70Confident76.9Confident97 Ų9789.4 Ų89.443%0.42543%0.432SS..  trans-66.9143.4178-68.3-63.4000110.5E7 Y8 T14F2-E7 VanDerWaalsContact CA-OE2 3.22Å; F2-E7 WeakPolarHBondContact CA-OE2 3.27Å; F2-E7 HydrophobicContact CB-CB 3.54Å; F2-E7 HydrophobicContact CB-CG 4.48Å; F2-E7 WeakPolarHBondContact CB-OE2 3.47Å; F2-E7 HydrophobicContact CD1-CB 3.53Å; F2-E7 HydrophobicContact CD1-CG 4.17Å; F2-E7 WeakPolarHBondContact CD1-OE2 3.26Å; F2-E7 HydrophobicContact CD2-CB 4.5Å; F2-E7 HydrophobicContact CE1-CB 4.32Å; F2-E7 HydrophobicContact CG-CB 3.61Å; F2-Y8 HydrophobicContact CB-CD2 3.96Å; F2-Y8 HydrophobicContact CB-CE1 4.15Å; F2-Y8 HydrophobicContact CB-CE2 3.54Å; F2-Y8 HydrophobicContact CB-CG 4.42Å; F2-Y8 AromaticContact CD2-CD1 3.7Å; F2-Y8 HydrophobicContact CD2-CD1 3.7Å; F2-Y8 HydrophobicContact CD2-CD2 4.5Å; F2-Y8 AromaticContact CD2-CE1 3.66Å; F2-Y8 HydrophobicContact CD2-CE1 3.66Å; F2-Y8 HydrophobicContact CD2-CE2 4.47Å; F2-Y8 HydrophobicContact CD2-CG 4.12Å; F2-Y8 HydrophobicContact CE2-CD1 4.49Å; F2-Y8 HydrophobicContact CG-CE1 4.41Å; F2-Y8 PolarHBondContact N-OH 3.21Å; F2-Y8 PolarHBondContact O-OH 3.43Å; F2-T14 HydrophobicContact CE2-CG2 4.02Å
3L70.7Confident77.4Confident161 Ų16189.8 Ų89.884%0.84344%0.437SS*.SBendtrans-85.1-26.9-172.5-68.8171.8000112.4E7L3-E7 PolarHBondContact N-OE2 2.66Å
4T72.8Confident78.2Confident67 Ų6786.2 Ų86.241%0.41142%0.423SS..SBendtrans-127.2153.3-177.365.20000111.4S6 E7T4-S6 PolarHBondContact O-N 2.64Å; T4-S6 PolarHBondContact OG1-OG 3.1Å; T4-E7 WeakPolarHBondContact O-CB 3.45Å; T4-E7 PolarHBondContact O-N 3.35Å; T4-E7 VanDerWaalsContact O-N 3.1Å; T4-E7 WeakPolarHBondContact OG1-CG 3.49Å
5R71.9Confident79Confident155 Ų15588.9 Ų88.959%0.58543%0.432SS*.Hα-helixtrans-57.4-35.6177.9-174.9177.3171.9-169.1-5.2112.2E7 Y8 F22R5-E7 PolarHBondContact O-N 3.13Å; R5-Y8 PolarHBondContact O-N 3.28Å; R5-F22 HydrophobicContact CG-CE2 3.69Å; R5-F22 HydrophobicContact CG-CZ 3.82Å
6S75.6Confident79.7Confident68 Ų6883.8 Ų83.848%0.47641%0.408SS..Hα-helixtrans-76.89.7178.959.10000114.7T4 D9T4-S6 PolarHBondContact O-N 2.64Å; T4-S6 PolarHBondContact OG1-OG 3.1Å; S6-D9 WeakPolarHBondContact CA-OD1 3.5Å
7E80.2Confident80.3Confident51 Ų5183.4 Ų83.424%0.23841%0.413CS..Hα-helixtrans-100.8-26.4169.3-79.1176.6174.500111.1F2 L3 T4 R5 D9 R10F2-E7 VanDerWaalsContact CA-OE2 3.22Å; F2-E7 WeakPolarHBondContact CA-OE2 3.27Å; F2-E7 HydrophobicContact CB-CB 3.54Å; F2-E7 HydrophobicContact CB-CG 4.48Å; F2-E7 WeakPolarHBondContact CB-OE2 3.47Å; F2-E7 HydrophobicContact CD1-CB 3.53Å; F2-E7 HydrophobicContact CD1-CG 4.17Å; F2-E7 WeakPolarHBondContact CD1-OE2 3.26Å; F2-E7 HydrophobicContact CD2-CB 4.5Å; F2-E7 HydrophobicContact CE1-CB 4.32Å; F2-E7 HydrophobicContact CG-CB 3.61Å; L3-E7 PolarHBondContact N-OE2 2.66Å; T4-E7 WeakPolarHBondContact O-CB 3.45Å; T4-E7 PolarHBondContact O-N 3.35Å; T4-E7 VanDerWaalsContact O-N 3.1Å; T4-E7 WeakPolarHBondContact OG1-CG 3.49Å; R5-E7 PolarHBondContact O-N 3.13Å; E7-D9 VanDerWaalsContact C-N 3.3Å; E7-R10 PolarHBondContact O-N 3.09Å
8Y82.9Confident80.9Confident20 Ų2085.9 Ų85.98%0.07842%0.424CS..Hα-helixtrans-75.3-19.3175-68.4-83.4000112.9M1 F2 R5 R10 T14 F15 P17M1-Y8 WeakPolarHBondContact CG-OH 3.38Å; F2-Y8 HydrophobicContact CB-CD2 3.96Å; F2-Y8 HydrophobicContact CB-CE1 4.15Å; F2-Y8 HydrophobicContact CB-CE2 3.54Å; F2-Y8 HydrophobicContact CB-CG 4.42Å; F2-Y8 AromaticContact CD2-CD1 3.7Å; F2-Y8 HydrophobicContact CD2-CD1 3.7Å; F2-Y8 HydrophobicContact CD2-CD2 4.5Å; F2-Y8 AromaticContact CD2-CE1 3.66Å; F2-Y8 HydrophobicContact CD2-CE1 3.66Å; F2-Y8 HydrophobicContact CD2-CE2 4.47Å; F2-Y8 HydrophobicContact CD2-CG 4.12Å; F2-Y8 HydrophobicContact CE2-CD1 4.49Å; F2-Y8 HydrophobicContact CG-CE1 4.41Å; F2-Y8 PolarHBondContact N-OH 3.21Å; F2-Y8 PolarHBondContact O-OH 3.43Å; R5-Y8 PolarHBondContact O-N 3.28Å; Y8-R10 VanDerWaalsContact C-N 3.27Å; Y8-T14 HydrophobicContact CD1-CG2 4.03Å; Y8-F15 VanDerWaalsContact CD1-O 3.24Å; Y8-F15 WeakPolarHBondContact CD1-O 3.19Å; Y8-P17 HydrophobicContact CD2-CG 4.46Å; Y8-P17 HydrophobicContact CE1-CG 4.13Å; Y8-P17 HydrophobicContact CE2-CG 3.67Å; Y8-P17 VanDerWaalsContact CZ-CG 3.5Å
9D83.1Confident81.4Confident34 Ų3484.1 Ų84.118%0.18243%0.429CS..THydrogen-bonded Turntrans-82.6-2.417663.23.2000113.3S6 E7 F22 Q23 Y26S6-D9 WeakPolarHBondContact CA-OD1 3.5Å; E7-D9 VanDerWaalsContact C-N 3.3Å; D9-F22 HydrophobicContact CB-CB 3.99Å; D9-F22 HydrophobicContact CB-CD2 4.06Å; D9-F22 HydrophobicContact CB-CG 4.5Å; D9-Q23 PolarHBondContact O-NE2 3.48Å; D9-Y26 HydrophobicContact CB-CE2 3.88Å; D9-Y26 PolarHBondContact OD2-OH 3.04Å
10R82.8Confident82Confident193 Ų19384.7 Ų84.773%0.72843%0.426SS*.SBendtrans-76.8-34.7178.5-68.6-173.6175.7-173.9-1.1113.9E7 Y8E7-R10 PolarHBondContact O-N 3.09Å; Y8-R10 VanDerWaalsContact C-N 3.27Å
11G83.2Confident82.5Confident16 Ų1682.7 Ų82.717%0.16542%0.416CS..SBendtrans-98131.1179.400000110.7N13 T14G11-N13 PolarHBondContact O-N 2.85Å; G11-T14 PolarHBondContact O-N 2.83Å
12V85.7Confident83.9Confident8 Ų873.1 Ų73.15%0.04837%0.369CS..THydrogen-bonded Turntrans-68-26.2-178.1-59.70000113.6Q23 F123 D125 S133 R134V12-Q23 HydrophobicContact CB-CG 4.48Å; V12-Q23 HydrophobicContact CG1-CB 4.47Å; V12-Q23 HydrophobicContact CG1-CG 4.13Å; V12-F123 HydrophobicContact CB-CD2 4.07Å; V12-F123 HydrophobicContact CB-CE2 4.26Å; V12-F123 HydrophobicContact CG2-CD2 3.95Å; V12-F123 HydrophobicContact CG2-CE2 4.4Å; V12-D125 PolarHBondContact N-OD2 3.14Å; V12-S133 WeakPolarHBondContact CG1-O 3.4Å; V12-R134 HydrophobicContact CG1-CB 4.47Å
13N83.9Confident85Confident94 Ų9470.8 Ų70.850%0.50336%0.359SS..THydrogen-bonded Turntrans-1089.6-179.162.52.7000113.3G11G11-N13 PolarHBondContact O-N 2.85Å
14T88.5Confident86.1Confident40 Ų4063.8 Ų63.825%0.24532%0.323CS..PPolyproline II helixtrans-91.1118.4-176.8-63.10000110.9F2 Y8 G11F2-T14 HydrophobicContact CE2-CG2 4.02Å; Y8-T14 HydrophobicContact CD1-CG2 4.03Å; G11-T14 PolarHBondContact O-N 2.83Å
15F90.1Very high87.1Confident127 Ų12763 Ų6356%0.55732%0.315SS*.PPolyproline II helixtrans-73.3137.9173.5-74.3-84.5000112.1Y8 R20 L21Y8-F15 VanDerWaalsContact CD1-O 3.24Å; Y8-F15 WeakPolarHBondContact CD1-O 3.19Å; F15-R20 WeakPolarHBondContact CA-O 3.49Å; F15-L21 HydrophobicContact CD1-CD2 3.98Å; F15-L21 HydrophobicContact CD1-CG 4Å; F15-L21 HydrophobicContact CD2-CD2 4.18Å; F15-L21 HydrophobicContact CE1-CD1 4.12Å; F15-L21 HydrophobicContact CE1-CD2 4.03Å; F15-L21 HydrophobicContact CE1-CG 3.71Å; F15-L21 HydrophobicContact CE2-CD2 4.21Å; F15-L21 HydrophobicContact CG-CD2 4.07Å; F15-L21 HydrophobicContact CZ-CD1 4.05Å; F15-L21 HydrophobicContact CZ-CD2 4.14Å; F15-L21 HydrophobicContact CZ-CG 4.05Å
16S90.2Very high88.2Confident7 Ų760.5 Ų60.55%0.04931%0.306CS..PPolyproline II helixtrans-69165.4167.288.40000111.5E18 G19 R20 F22S16-E18 VanDerWaalsContact CB-OE2 3.32Å; S16-E18 WeakPolarHBondContact CB-OE2 3.38Å; S16-E18 PolarHBondContact O-N 3.28Å; S16-E18 VanDerWaalsContact O-N 3.11Å; S16-E18 PolarHBondContact OG-N 2.95Å; S16-E18 PolarHBondContact OG-OE2 3.32Å; S16-G19 PolarHBondContact O-N 3.11Å; S16-R20 PolarHBondContact N-O 3.16Å; S16-R20 PolarHBondContact OG-N 3.05Å; S16-F22 VanDerWaalsContact CB-CZ 3.43Å
17P89.3Confident89.2Confident76 Ų7657.7 Ų57.749%0.49429%0.287SS..THydrogen-bonded Turntrans-57.7-23.5173.7-24.836.7000113.6M1 Y8 G19M1-P17 HydrophobicContact CE-CG 4.49Å; Y8-P17 HydrophobicContact CD2-CG 4.46Å; Y8-P17 HydrophobicContact CE1-CG 4.13Å; Y8-P17 HydrophobicContact CE2-CG 3.67Å; Y8-P17 VanDerWaalsContact CZ-CG 3.5Å; P17-G19 VanDerWaalsContact C-N 3.32Å
18E90.9Very high89.9Confident130 Ų13058.1 Ų58.161%0.60729%0.29SS*.THydrogen-bonded Turntrans-86.51.7175.4-52.974.7-154.900113.4S16 R20S16-E18 VanDerWaalsContact CB-OE2 3.32Å; S16-E18 WeakPolarHBondContact CB-OE2 3.38Å; S16-E18 PolarHBondContact O-N 3.28Å; S16-E18 VanDerWaalsContact O-N 3.11Å; S16-E18 PolarHBondContact OG-N 2.95Å; S16-E18 PolarHBondContact OG-OE2 3.32Å; E18-R20 HydrophobicContact CB-CG 4.26Å
19G91.2Very high90.5Very high50 Ų5062 Ų6252%0.51531%0.309SS..SBendtrans78.928.4179.900000114.3S16 P17S16-G19 PolarHBondContact O-N 3.11Å; P17-G19 VanDerWaalsContact C-N 3.32Å
20R92.4Very high91.1Very high97 Ų9761.2 Ų61.237%0.36631%0.308SS..  trans-108.6149-176.3-58.3170.967.6-174.54.5111.9F15 S16 E18 F22 E25F15-R20 WeakPolarHBondContact CA-O 3.49Å; S16-R20 PolarHBondContact N-O 3.16Å; S16-R20 PolarHBondContact OG-N 3.05Å; E18-R20 HydrophobicContact CB-CG 4.26Å; R20-F22 HydrophobicContact CB-CD1 4.26Å; R20-F22 HydrophobicContact CB-CE1 3.97Å; R20-E25 IonicContact CZ-OE1 3.03Å; R20-E25 IonicContact CZ-OE2 2.86Å; R20-E25 VanDerWaalsContact CZ-OE2 3.24Å; R20-E25 IonicContact NE-OE1 3.59Å; R20-E25 PolarHBondContact NE-OE1 3.12Å; R20-E25 IonicContact NE-OE2 3.33Å; R20-E25 IonicContact NH2-OE1 3.87Å; R20-E25 PolarHBondContact NH2-OE1 2.82Å; R20-E25 IonicContact NH2-OE2 2.6Å; R20-E25 PolarHBondContact NH2-OE2 2.83Å
21L92.2Very high91.7Very high42 Ų4252.7 Ų52.722%0.2228%0.277CS..  trans-104.896.5170.2-69.5174.9000109.3F15 Q23 V24 E25F15-L21 HydrophobicContact CD1-CD2 3.98Å; F15-L21 HydrophobicContact CD1-CG 4Å; F15-L21 HydrophobicContact CD2-CD2 4.18Å; F15-L21 HydrophobicContact CE1-CD1 4.12Å; F15-L21 HydrophobicContact CE1-CD2 4.03Å; F15-L21 HydrophobicContact CE1-CG 3.71Å; F15-L21 HydrophobicContact CE2-CD2 4.21Å; F15-L21 HydrophobicContact CG-CD2 4.07Å; F15-L21 HydrophobicContact CZ-CD1 4.05Å; F15-L21 HydrophobicContact CZ-CD2 4.14Å; F15-L21 HydrophobicContact CZ-CG 4.05Å; L21-Q23 VanDerWaalsContact C-N 3.26Å; L21-Q23 PolarHBondContact O-N 2.68Å; L21-V24 HydrophobicContact CB-CB 4.18Å; L21-V24 HydrophobicContact CB-CG2 3.92Å; L21-V24 HydrophobicContact CD1-CG2 4.2Å; L21-V24 PolarHBondContact O-N 3.12Å; L21-V24 VanDerWaalsContact O-N 3.12Å; L21-E25 PolarHBondContact O-N 2.84Å
22F93.4Very high92.2Very high2 Ų255.8 Ų55.81%0.00929%0.285CS..Hα-helixtrans-62-32-173.4-65.2-37.4000113.3R5 D9 S16 R20 V24 E25 Y26R5-F22 HydrophobicContact CG-CE2 3.69Å; R5-F22 HydrophobicContact CG-CZ 3.82Å; D9-F22 HydrophobicContact CB-CB 3.99Å; D9-F22 HydrophobicContact CB-CD2 4.06Å; D9-F22 HydrophobicContact CB-CG 4.5Å; S16-F22 VanDerWaalsContact CB-CZ 3.43Å; R20-F22 HydrophobicContact CB-CD1 4.26Å; R20-F22 HydrophobicContact CB-CE1 3.97Å; F22-V24 VanDerWaalsContact C-N 3.33Å; F22-V24 PolarHBondContact O-N 2.86Å; F22-E25 WeakPolarHBondContact O-CB 3.34Å; F22-E25 PolarHBondContact O-N 2.6Å; F22-Y26 HydrophobicContact CB-CE2 4.3Å; F22-Y26 WeakPolarHBondContact O-CD1 3.44Å; F22-Y26 WeakPolarHBondContact O-CD2 3.1Å; F22-Y26 PolarHBondContact O-N 2.75Å
23Q93.1Very high92.6Very high49 Ų4961.7 Ų61.723%0.22932%0.316CS..Hα-helixtrans-66.4-34177.3-70.6-64-27.500112.9D9 V12 L21 A27 P135D9-Q23 PolarHBondContact O-NE2 3.48Å; V12-Q23 HydrophobicContact CB-CG 4.48Å; V12-Q23 HydrophobicContact CG1-CB 4.47Å; V12-Q23 HydrophobicContact CG1-CG 4.13Å; L21-Q23 VanDerWaalsContact C-N 3.26Å; L21-Q23 PolarHBondContact O-N 2.68Å; Q23-A27 WeakPolarHBondContact O-CB 3.07Å; Q23-A27 PolarHBondContact O-N 2.99Å; Q23-P135 HydrophobicContact CB-CG 4.28Å
24V94.3Very high93.1Very high13 Ų1357.6 Ų57.68%0.07930%0.296CS..Hα-helixtrans-68.2-40.4172.9176.80000110.4L21 F22 A27 I28 F123 P135L21-V24 HydrophobicContact CB-CB 4.18Å; L21-V24 HydrophobicContact CB-CG2 3.92Å; L21-V24 HydrophobicContact CD1-CG2 4.2Å; L21-V24 PolarHBondContact O-N 3.12Å; L21-V24 VanDerWaalsContact O-N 3.12Å; F22-V24 VanDerWaalsContact C-N 3.33Å; F22-V24 PolarHBondContact O-N 2.86Å; V24-A27 WeakPolarHBondContact O-CB 3.46Å; V24-A27 PolarHBondContact O-N 2.8Å; V24-I28 HydrophobicContact CG1-CD1 4.22Å; V24-I28 WeakPolarHBondContact O-CG1 3.17Å; V24-I28 PolarHBondContact O-N 3.31Å; V24-F123 HydrophobicContact CG2-CE1 4.49Å; V24-F123 HydrophobicContact CG2-CZ 3.92Å; V24-P135 HydrophobicContact CG2-CB 4.46Å; V24-P135 HydrophobicContact CG2-CG 3.9Å
25E95.1Very high93.4Very high50 Ų5056.1 Ų56.123%0.23429%0.287CS..Hα-helixtrans-65-40.7176.6-62.1-179.5170.300112.2R20 L21 F22 A27 I28 E29R20-E25 IonicContact CZ-OE1 3.03Å; R20-E25 IonicContact CZ-OE2 2.86Å; R20-E25 VanDerWaalsContact CZ-OE2 3.24Å; R20-E25 IonicContact NE-OE1 3.59Å; R20-E25 PolarHBondContact NE-OE1 3.12Å; R20-E25 IonicContact NE-OE2 3.33Å; R20-E25 IonicContact NH2-OE1 3.87Å; R20-E25 PolarHBondContact NH2-OE1 2.82Å; R20-E25 IonicContact NH2-OE2 2.6Å; R20-E25 PolarHBondContact NH2-OE2 2.83Å; L21-E25 PolarHBondContact O-N 2.84Å; F22-E25 WeakPolarHBondContact O-CB 3.34Å; F22-E25 PolarHBondContact O-N 2.6Å; E25-A27 VanDerWaalsContact C-N 3.32Å; E25-A27 PolarHBondContact O-N 2.84Å; E25-I28 WeakPolarHBondContact O-CB 3.41Å; E25-I28 PolarHBondContact O-N 3.42Å; E25-I28 VanDerWaalsContact O-N 3.17Å; E25-E29 WeakPolarHBondContact O-CG 3.44Å; E25-E29 PolarHBondContact O-N 2.8Å
26Y94.9Very high93.8Very high103 Ų10350.1 Ų50.140%0.40426%0.261SS..Hα-helixtrans-64.5-37.5174.2-61.8-20000111.8D9 F22 I28 E29 A30D9-Y26 HydrophobicContact CB-CE2 3.88Å; D9-Y26 PolarHBondContact OD2-OH 3.04Å; F22-Y26 HydrophobicContact CB-CE2 4.3Å; F22-Y26 WeakPolarHBondContact O-CD1 3.44Å; F22-Y26 WeakPolarHBondContact O-CD2 3.1Å; F22-Y26 PolarHBondContact O-N 2.75Å; Y26-I28 VanDerWaalsContact C-N 3.32Å; Y26-E29 PolarHBondContact O-N 2.96Å; Y26-A30 PolarHBondContact O-N 2.97Å
27A95.6Very high94.2Very high9 Ų949.8 Ų49.87%0.07426%0.259CS..Hα-helixtrans-63-38.9172.200000111.8Q23 V24 E25 A30 I31 P135 P157Q23-A27 WeakPolarHBondContact O-CB 3.07Å; Q23-A27 PolarHBondContact O-N 2.99Å; V24-A27 WeakPolarHBondContact O-CB 3.46Å; V24-A27 PolarHBondContact O-N 2.8Å; E25-A27 VanDerWaalsContact C-N 3.32Å; E25-A27 PolarHBondContact O-N 2.84Å; A27-A30 WeakPolarHBondContact O-CB 3.47Å; A27-A30 PolarHBondContact O-N 3.08Å; A27-I31 PolarHBondContact O-N 2.6Å; A27-P135 HydrophobicContact CB-CB 4Å; A27-P157 HydrophobicContact CB-CB 3.68Å; A27-P157 HydrophobicContact CB-CG 3.99Å
28I95.6Very high94.6Very high60 Ų6046.2 Ų46.231%0.30824%0.235SC..Hα-helixtrans-63.5-42.4173.7-68.9165.8000111.4V24 E25 Y26 A30 I31 P157V24-I28 HydrophobicContact CG1-CD1 4.22Å; V24-I28 WeakPolarHBondContact O-CG1 3.17Å; V24-I28 PolarHBondContact O-N 3.31Å; E25-I28 WeakPolarHBondContact O-CB 3.41Å; E25-I28 PolarHBondContact O-N 3.42Å; E25-I28 VanDerWaalsContact O-N 3.17Å; Y26-I28 VanDerWaalsContact C-N 3.32Å; I28-A30 VanDerWaalsContact C-N 3.3Å; I28-A30 PolarHBondContact O-N 3.45Å; I28-I31 WeakPolarHBondContact O-CB 3.39Å; I28-I31 PolarHBondContact O-N 3.36Å; I28-P157 HydrophobicContact CG1-CB 4.44Å; I28-P157 HydrophobicContact CG1-CG 4.26Å
29E95Very high95Very high101 Ų10140 Ų4047%0.47221%0.206SC..Hα-helixtrans-65.3-34.2174.9-67.7-55.6131.700112.2E25 Y26 I31 K32E25-E29 WeakPolarHBondContact O-CG 3.44Å; E25-E29 PolarHBondContact O-N 2.8Å; Y26-E29 PolarHBondContact O-N 2.96Å; E29-I31 PolarHBondContact O-N 2.88Å; E29-K32 WeakPolarHBondContact O-CB 3.28Å; E29-K32 PolarHBondContact O-N 3.43Å; E29-K32 VanDerWaalsContact O-N 3.09Å; E29-K32 IonicContact OE1-NZ 3.85Å; E29-K32 PolarHBondContact OE1-NZ 3.38Å; E29-K32 WeakPolarHBondContact OE2-CD 3.4Å; E29-K32 WeakPolarHBondContact OE2-CE 3.48Å; E29-K32 IonicContact OE2-NZ 2.89Å; E29-K32 PolarHBondContact OE2-NZ 3.33Å
30A94.9Very high95.4Very high19 Ų1937.6 Ų37.616%0.15718%0.182CC..Hα-helixtrans-62.2-28.2175.600000113Y26 A27 I28 K32 L33Y26-A30 PolarHBondContact O-N 2.97Å; A27-A30 WeakPolarHBondContact O-CB 3.47Å; A27-A30 PolarHBondContact O-N 3.08Å; I28-A30 VanDerWaalsContact C-N 3.3Å; I28-A30 PolarHBondContact O-N 3.45Å; A30-K32 PolarHBondContact O-N 2.97Å; A30-L33 WeakPolarHBondContact O-CB 3.4Å; A30-L33 PolarHBondContact O-N 3.03Å; A30-L33 VanDerWaalsContact O-N 3.08Å
31I96.4Very high95.7Very high14 Ų1435 Ų357%0.07217%0.174CC..Hα-helixtrans-59.7-37.7175-61.6168.4000111A27 I28 E29 L33 G34 A139 P157A27-I31 PolarHBondContact O-N 2.6Å; I28-I31 WeakPolarHBondContact O-CB 3.39Å; I28-I31 PolarHBondContact O-N 3.36Å; E29-I31 PolarHBondContact O-N 2.88Å; I31-L33 PolarHBondContact O-N 3.07Å; I31-L33 VanDerWaalsContact O-N 3.15Å; I31-G34 PolarHBondContact O-N 3.41Å; I31-A139 HydrophobicContact CD1-CB 3.63Å; I31-A139 HydrophobicContact CG1-CB 4.17Å; I31-A139 HydrophobicContact CG2-CB 3.72Å; I31-P157 HydrophobicContact CD1-CG 3.6Å; I31-P157 HydrophobicContact CG1-CG 4.27Å
32K94.3Very high96Very high80 Ų8033.2 Ų33.235%0.34817%0.165SC..THydrogen-bonded Turntrans-67.1-13.7-179.9-57.6-179.7-172163.90112.7E29 A30 G34 A171E29-K32 WeakPolarHBondContact O-CB 3.28Å; E29-K32 PolarHBondContact O-N 3.43Å; E29-K32 VanDerWaalsContact O-N 3.09Å; E29-K32 IonicContact OE1-NZ 3.85Å; E29-K32 PolarHBondContact OE1-NZ 3.38Å; E29-K32 WeakPolarHBondContact OE2-CD 3.4Å; E29-K32 WeakPolarHBondContact OE2-CE 3.48Å; E29-K32 IonicContact OE2-NZ 2.89Å; E29-K32 PolarHBondContact OE2-NZ 3.33Å; A30-K32 PolarHBondContact O-N 2.97Å; K32-G34 VanDerWaalsContact C-N 3.34Å; K32-A171 WeakPolarHBondContact O-CA 3.24Å; K32-A171 WeakPolarHBondContact O-CB 3.22Å
33L93.4Very high96.2Very high133 Ų13339.6 Ų39.670%0.69619%0.192SC*.THydrogen-bonded Turntrans-82.9-15.8172.3-55.2179.8000112.1A30 I31 R53A30-L33 WeakPolarHBondContact O-CB 3.4Å; A30-L33 PolarHBondContact O-N 3.03Å; A30-L33 VanDerWaalsContact O-N 3.08Å; I31-L33 PolarHBondContact O-N 3.07Å; I31-L33 VanDerWaalsContact O-N 3.15Å; L33-R53 PolarHBondContact O-NH1 3.19Å
34G94.4Very high96.4Very high7 Ų742.3 Ų42.37%0.07221%0.205CC..SBendtrans-77161177.300000113.8I31 K32 R53 S79 A171I31-G34 PolarHBondContact O-N 3.41Å; K32-G34 VanDerWaalsContact C-N 3.34Å; G34-R53 PolarHBondContact O-NH2 3.2Å; G34-S79 VanDerWaalsContact C-OG 3.25Å; G34-S79 WeakPolarHBondContact CA-OG 3.48Å; G34-A171 VanDerWaalsContact O-CB 3.3Å; G34-A171 WeakPolarHBondContact O-CB 3.5Å; G34-A171 PolarHBondContact O-N 2.87Å
35S95.4Very high96.5Very high10 Ų1041.7 Ų41.77%0.0720%0.201CC..PPolyproline II helixtrans-72.1153.8175.966.60000112.3E51 K66 S79S35-E51 WeakPolarHBondContact CB-O 3.44Å; S35-E51 PolarHBondContact OG-O 2.84Å; S35-K66 PolarHBondContact O-NZ 2.89Å; S35-K66 WeakPolarHBondContact OG-CD 3.45Å; S35-K66 WeakPolarHBondContact OG-CE 3.15Å; S35-K66 PolarHBondContact OG-NZ 2.86Å; S35-S79 WeakPolarHBondContact O-CB 3.33Å; S35-S79 PolarHBondContact O-OG 3.3Å
36T97.8Very high96.7Very high1 Ų139.3 Ų39.31%0.00619%0.19CC..PPolyproline II helixtrans-69.2136.5-171.5-52.80000111.2I38 C50 E51 I169 A172 L201 V204T36-I38 HydrophobicContact CG2-CG1 4.41Å; T36-C50 WeakPolarHBondContact O-CA 3.37Å; T36-E51 PolarHBondContact N-OE2 2.85Å; T36-E51 WeakPolarHBondContact O-CB 3.43Å; T36-E51 PolarHBondContact O-N 2.82Å; T36-E51 PolarHBondContact OG1-OE2 3.39Å; T36-I169 WeakPolarHBondContact CA-O 2.97Å; T36-A172 PolarHBondContact OG1-N 2.84Å; T36-L201 HydrophobicContact CG2-CD2 4.47Å; T36-V204 HydrophobicContact CG2-CG2 4.3Å
37A98.5Very high96.9Very high0 Ų034.4 Ų34.40%017%0.171CC..EExtended strand (participates in β ladder)trans-135.5146.9171.300000110.4V49 C50 T77 A168 I169A37-V49 CarbonylContact C-O 3.57Å; A37-V49 WeakPolarHBondContact CA-O 3.37Å; A37-C50 HydrophobicContact CB-CB 3.67Å; A37-T77 HydrophobicContact CB-CG2 3.73Å; A37-A168 CarbonylContact O-C 3.57Å; A37-A168 WeakPolarHBondContact O-CA 3.34Å; A37-I169 HydrophobicContact CB-CD1 4.3Å; A37-I169 HydrophobicContact CB-CG1 3.87Å; A37-I169 PolarHBondContact N-O 2.74Å; A37-I169 PolarHBondContact O-N 3.33Å
38I98.8Very high97Very high0 Ų034 Ų340%017%0.167CC..EExtended strand (participates in β ladder)trans-135.7136.9-173.5-55.5166.6000108.9T36 I40 L48 V49 K167 A168 A176 L180 T197 I200 L201T36-I38 HydrophobicContact CG2-CG1 4.41Å; I38-I40 HydrophobicContact CG2-CG1 4.22Å; I38-L48 CarbonylContact O-C 3.6Å; I38-L48 WeakPolarHBondContact O-CA 3.43Å; I38-V49 HydrophobicContact CB-CG1 3.79Å; I38-V49 HydrophobicContact CD1-CG1 4.27Å; I38-V49 HydrophobicContact CG1-CG1 4.37Å; I38-V49 PolarHBondContact N-O 2.83Å; I38-V49 PolarHBondContact O-N 3.29Å; I38-K167 CarbonylContact C-O 3.51Å; I38-K167 WeakPolarHBondContact CA-O 3.31Å; I38-A168 HydrophobicContact CG1-CB 4.15Å; I38-A176 HydrophobicContact CD1-CB 4.37Å; I38-L180 HydrophobicContact CG2-CD1 3.89Å; I38-L180 HydrophobicContact CG2-CD2 4.21Å; I38-T197 HydrophobicContact CB-CG2 4.44Å; I38-T197 HydrophobicContact CG2-CG2 3.91Å; I38-I200 HydrophobicContact CD1-CB 4.01Å; I38-I200 HydrophobicContact CD1-CG2 3.52Å; I38-L201 HydrophobicContact CD1-CD2 4.07Å; I38-L201 HydrophobicContact CD1-CG 4.35Å
39G98.8Very high97.2Very high0 Ų031.1 Ų31.10%015%0.153CC..EExtended strand (participates in β ladder)trans-119.2139.7169.300000111L47 L152 A166 K167G39-L47 CarbonylContact C-O 3.49Å; G39-L47 VanDerWaalsContact CA-O 3.24Å; G39-L47 WeakPolarHBondContact CA-O 3.37Å; G39-L152 VanDerWaalsContact C-CD2 3.41Å; G39-L152 WeakPolarHBondContact O-CD2 3.12Å; G39-A166 CarbonylContact O-C 3.56Å; G39-A166 VanDerWaalsContact O-CA 3.26Å; G39-A166 WeakPolarHBondContact O-CA 3.48Å; G39-K167 PolarHBondContact N-O 2.68Å; G39-K167 PolarHBondContact O-N 2.91Å
40I98.9Very high97.3Very high0 Ų026.3 Ų26.30%013%0.13CC..EExtended strand (participates in β ladder)trans-133129.7172.7-56.9-171.5000109.6I38 T42 V46 L47 A166 L180 Y184 A193 L196 T197I38-I40 HydrophobicContact CG2-CG1 4.22Å; I40-T42 HydrophobicContact CG2-CG2 4.28Å; I40-V46 WeakPolarHBondContact O-CA 3.28Å; I40-L47 PolarHBondContact N-O 2.85Å; I40-L47 PolarHBondContact O-N 3.09Å; I40-A166 HydrophobicContact CG1-CB 4.19Å; I40-L180 HydrophobicContact CD1-CD2 3.66Å; I40-L180 HydrophobicContact CG1-CD2 4.05Å; I40-Y184 HydrophobicContact CG2-CD2 4Å; I40-Y184 HydrophobicContact CG2-CE2 3.83Å; I40-A193 HydrophobicContact CB-CB 4.25Å; I40-A193 HydrophobicContact CD1-CB 4.26Å; I40-A193 HydrophobicContact CG2-CB 3.89Å; I40-L196 HydrophobicContact CD1-CD2 4.04Å; I40-L196 HydrophobicContact CD1-CG 4.42Å; I40-T197 HydrophobicContact CD1-CG2 3.48Å; I40-T197 VanDerWaalsContact CD1-CG2 3.48Å; I40-T197 HydrophobicContact CG1-CG2 3.92Å
41Q98.7Very high97.4Very high42 Ų4226.4 Ų26.420%0.19613%0.127CC..EExtended strand (participates in β ladder)trans-92.9130.9170-175.1-154.39.800110V46 P150 L152 S165 Y184Q41-V46 HydrophobicContact CB-CG1 3.9Å; Q41-V46 HydrophobicContact CG-CG1 3.85Å; Q41-P150 HydrophobicContact CG-CB 4.17Å; Q41-P150 PolarHBondContact NE2-O 2.97Å; Q41-L152 HydrophobicContact CB-CB 4.34Å; Q41-S165 WeakPolarHBondContact CB-O 3.46Å; Q41-S165 PolarHBondContact N-O 3.36Å; Q41-Y184 WeakPolarHBondContact O-CE2 2.95Å; Q41-Y184 PolarHBondContact O-OH 3.44Å; Q41-Y184 VanDerWaalsContact O-OH 3.11Å
42T98.6Very high97.3Very high5 Ų526.5 Ų26.53%0.03113%0.127CC..  trans-122.8175.2171.181.90000109.9I40 E44 G45 P150 I188 L190 A193I40-T42 HydrophobicContact CG2-CG2 4.28Å; T42-E44 PolarHBondContact O-N 3.33Å; T42-E44 PolarHBondContact OG1-N 3.33Å; T42-E44 VanDerWaalsContact OG1-N 3.12Å; T42-G45 CarbonylContact C-O 3.53Å; T42-G45 WeakPolarHBondContact CA-O 3.44Å; T42-G45 PolarHBondContact N-O 2.94Å; T42-G45 VanDerWaalsContact O-O 3.07Å; T42-G45 PolarHBondContact OG1-N 3.01Å; T42-G45 VanDerWaalsContact OG1-N 3.16Å; T42-G45 PolarHBondContact OG1-O 2.95Å; T42-G45 VanDerWaalsContact OG1-O 3.05Å; T42-P150 WeakPolarHBondContact O-CG 3.35Å; T42-I188 WeakPolarHBondContact CB-O 3.48Å; T42-I188 HydrophobicContact CG2-CG2 3.94Å; T42-L190 HydrophobicContact CG2-CD1 4.5Å; T42-A193 HydrophobicContact CG2-CB 3.81Å
43K97.2Very high97.2Very high135 Ų13527.2 Ų27.259%0.58713%0.128SC*.SBendtrans-70.5-23.6172.4-66.3-175.3179.4178.20113.1E187K43-E187 VanDerWaalsContact CE-OE1 3.27Å; K43-E187 WeakPolarHBondContact CE-OE1 3.48Å; K43-E187 WeakPolarHBondContact CE-OE2 3.37Å; K43-E187 IonicContact NZ-OE1 2.79Å; K43-E187 PolarHBondContact NZ-OE1 3.28Å; K43-E187 IonicContact NZ-OE2 3.51Å; K43-E187 PolarHBondContact NZ-OE2 3.06Å
44E97Very high97Very high107 Ų10722.3 Ų22.350%0.510%0.102SC..SBendtrans-87.6-26.4-176.1-63.6173.1170.800111.9T42 L190 N220T42-E44 PolarHBondContact O-N 3.33Å; T42-E44 PolarHBondContact OG1-N 3.33Å; T42-E44 VanDerWaalsContact OG1-N 3.12Å; E44-L190 HydrophobicContact CB-CB 4.13Å; E44-L190 WeakPolarHBondContact OE2-CB 3.42Å; E44-L190 PolarHBondContact OE2-N 3.38Å; E44-N220 WeakPolarHBondContact O-CB 3.38Å
45G98.2Very high96.6Very high0 Ų027.7 Ų27.70%013%0.134CC..EExtended strand (participates in β ladder)trans170-164-176.400000111.6T42 I219T42-G45 CarbonylContact C-O 3.53Å; T42-G45 WeakPolarHBondContact CA-O 3.44Å; T42-G45 PolarHBondContact N-O 2.94Å; T42-G45 VanDerWaalsContact O-O 3.07Å; T42-G45 PolarHBondContact OG1-N 3.01Å; T42-G45 VanDerWaalsContact OG1-N 3.16Å; T42-G45 PolarHBondContact OG1-O 2.95Å; T42-G45 VanDerWaalsContact OG1-O 3.05Å; G45-I219 CarbonylContact C-O 3.57Å; G45-I219 WeakPolarHBondContact CA-O 3.44Å
46V98.7Very high96.4Very high0 Ų029 Ų290%014%0.143CC..EExtended strand (participates in β ladder)trans-127146.6175.1-74.50000109.4I40 Q41 A143 V145 P150 L152 I219I40-V46 WeakPolarHBondContact O-CA 3.28Å; Q41-V46 HydrophobicContact CB-CG1 3.9Å; Q41-V46 HydrophobicContact CG-CG1 3.85Å; V46-A143 HydrophobicContact CB-CB 4.05Å; V46-A143 HydrophobicContact CG2-CB 3.7Å; V46-V145 HydrophobicContact CG2-CG2 4.48Å; V46-P150 HydrophobicContact CG1-CB 3.7Å; V46-L152 HydrophobicContact CG1-CB 4.48Å; V46-I219 HydrophobicContact CG2-CB 3.8Å; V46-I219 HydrophobicContact CG2-CD1 4.13Å; V46-I219 HydrophobicContact CG2-CG1 4.47Å; V46-I219 PolarHBondContact N-O 2.83Å; V46-I219 PolarHBondContact O-N 2.82Å
47L98.6Very high96Very high0 Ų035.2 Ų35.20%018%0.183CC..EExtended strand (participates in β ladder)trans-118.2136.1-177.217670.5000108.7G39 I40 L190 A193 Q194 T197 M216 S217 V218G39-L47 CarbonylContact C-O 3.49Å; G39-L47 VanDerWaalsContact CA-O 3.24Å; G39-L47 WeakPolarHBondContact CA-O 3.37Å; I40-L47 PolarHBondContact N-O 2.85Å; I40-L47 PolarHBondContact O-N 3.09Å; L47-L190 HydrophobicContact CB-CD1 4.24Å; L47-A193 VanDerWaalsContact CD2-C 3.48Å; L47-A193 HydrophobicContact CD2-CB 4.06Å; L47-A193 WeakPolarHBondContact CD2-O 3.43Å; L47-Q194 HydrophobicContact CD1-CG 3.96Å; L47-Q194 HydrophobicContact CD2-CB 4.44Å; L47-Q194 HydrophobicContact CD2-CG 4.11Å; L47-T197 HydrophobicContact CD2-CG2 3.77Å; L47-M216 HydrophobicContact CD1-CE 4.45Å; L47-M216 HydrophobicContact CD1-CG 3.43Å; L47-M216 VanDerWaalsContact CD1-CG 3.43Å; L47-M216 HydrophobicContact CD1-SD 3.72Å; L47-S217 WeakPolarHBondContact CA-O 3.49Å; L47-S217 WeakPolarHBondContact CD1-O 3.26Å; L47-V218 HydrophobicContact CD1-CG2 3.78Å
48L98.9Very high95.8Very high0 Ų042.7 Ų42.70%022%0.222CC..EExtended strand (participates in β ladder)trans-117138.4163.2-64.7176.6000109I38 I67 T77 L141 A143 L152 M216 S217I38-L48 CarbonylContact O-C 3.6Å; I38-L48 WeakPolarHBondContact O-CA 3.43Å; L48-I67 HydrophobicContact CB-CD1 4.09Å; L48-I67 HydrophobicContact CB-CG2 4.5Å; L48-I67 HydrophobicContact CD1-CG2 4.24Å; L48-T77 HydrophobicContact CB-CG2 4.38Å; L48-T77 HydrophobicContact CD1-CG2 4.27Å; L48-T77 HydrophobicContact CD2-CG2 3.94Å; L48-T77 HydrophobicContact CG-CG2 4.43Å; L48-L141 HydrophobicContact CD2-CB 3.97Å; L48-L141 HydrophobicContact CD2-CD1 4.48Å; L48-A143 HydrophobicContact CD1-CB 3.76Å; L48-A143 HydrophobicContact CD2-CB 3.69Å; L48-A143 HydrophobicContact CG-CB 3.57Å; L48-L152 HydrophobicContact CD2-CD1 4.18Å; L48-M216 CarbonylContact O-C 3.56Å; L48-M216 VanDerWaalsContact O-CA 3.29Å; L48-M216 WeakPolarHBondContact O-CA 3.33Å; L48-S217 PolarHBondContact N-O 3.04Å; L48-S217 PolarHBondContact O-N 3.41Å
49V98.7Very high95.5Very high0 Ų045.9 Ų45.90%024%0.238CC..EExtended strand (participates in β ladder)trans-133.8148.2166.975.30000109.4A37 I38 T197 L201 E215 M216A37-V49 CarbonylContact C-O 3.57Å; A37-V49 WeakPolarHBondContact CA-O 3.37Å; I38-V49 HydrophobicContact CB-CG1 3.79Å; I38-V49 HydrophobicContact CD1-CG1 4.27Å; I38-V49 HydrophobicContact CG1-CG1 4.37Å; I38-V49 PolarHBondContact N-O 2.83Å; I38-V49 PolarHBondContact O-N 3.29Å; V49-T197 HydrophobicContact CG1-CG2 3.93Å; V49-L201 HydrophobicContact CB-CD1 4.32Å; V49-L201 HydrophobicContact CG1-CD1 3.87Å; V49-L201 HydrophobicContact CG1-CG 4.35Å; V49-L201 HydrophobicContact CG2-CD1 3.49Å; V49-L201 VanDerWaalsContact CG2-CD1 3.49Å; V49-E215 CarbonylContact C-O 3.49Å; V49-E215 VanDerWaalsContact CA-O 3.24Å; V49-E215 WeakPolarHBondContact CA-O 3.35Å; V49-E215 WeakPolarHBondContact CG2-O 3.08Å; V49-M216 HydrophobicContact CB-CE 4.15Å; V49-M216 HydrophobicContact CG2-CB 4.15Å; V49-M216 HydrophobicContact CG2-CE 3.73Å; V49-M216 HydrophobicContact CG2-CG 4.41Å
50C97.7Very high95.1Very high0 Ų051.4 Ų51.40%026%0.264CS..EExtended strand (participates in β ladder)trans-147.6149.8171.664.60000113.1T36 A37 K66 I67 I214 E215T36-C50 WeakPolarHBondContact O-CA 3.37Å; A37-C50 HydrophobicContact CB-CB 3.67Å; C50-K66 HydrophobicContact CB-CB 4.46Å; C50-K66 WeakPolarHBondContact SG-CB 3.37Å; C50-I67 VanDerWaalsContact SG-CG1 3.53Å; C50-I214 CarbonylContact O-C 3.6Å; C50-I214 WeakPolarHBondContact O-CA 3.32Å; C50-E215 PolarHBondContact N-O 3.47Å; C50-E215 PolarHBondContact O-N 3Å
51E96.8Very high94.6Very high21 Ų2152.6 Ų52.610%0.09827%0.273CS..EExtended strand (participates in β ladder)trans-73133.3167.8176.6-160.216000110.5S35 T36 R53 K66 M205S35-E51 WeakPolarHBondContact CB-O 3.44Å; S35-E51 PolarHBondContact OG-O 2.84Å; T36-E51 PolarHBondContact N-OE2 2.85Å; T36-E51 WeakPolarHBondContact O-CB 3.43Å; T36-E51 PolarHBondContact O-N 2.82Å; T36-E51 PolarHBondContact OG1-OE2 3.39Å; E51-R53 HydrophobicContact CG-CG 4.45Å; E51-R53 WeakPolarHBondContact OE1-CG 3.47Å; E51-R53 IonicContact OE1-NE 3.16Å; E51-R53 PolarHBondContact OE1-NE 2.97Å; E51-R53 VanDerWaalsContact OE1-NE 3.08Å; E51-K66 VanDerWaalsContact O-CD 3.31Å; E51-K66 WeakPolarHBondContact O-CD 3.31Å; E51-M205 HydrophobicContact CB-CG 4.3Å; E51-M205 HydrophobicContact CB-SD 4.06Å; E51-M205 HydrophobicContact CG-CE 4Å; E51-M205 HydrophobicContact CG-CG 3.99Å; E51-M205 HydrophobicContact CG-SD 3.99Å
52K95Very high94.1Very high15 Ų1556.9 Ų56.97%0.06529%0.293CS..  trans-104.8115.7167.5-60.7-160.8-78.8-1690109.7I54 A61 V64 T212 N213 E215K52-I54 HydrophobicContact CB-CD1 4.28Å; K52-I54 PolarHBondContact O-N 3.28Å; K52-A61 PolarHBondContact NZ-O 3.47Å; K52-V64 HydrophobicContact CB-CG1 4.3Å; K52-V64 HydrophobicContact CD-CB 4.32Å; K52-V64 HydrophobicContact CD-CG1 4.16Å; K52-V64 WeakPolarHBondContact CD-O 3.05Å; K52-V64 HydrophobicContact CG-CG1 4.44Å; K52-V64 PolarHBondContact NZ-O 3.43Å; K52-T212 VanDerWaalsContact CE-O 3.24Å; K52-T212 WeakPolarHBondContact CE-O 3.47Å; K52-N213 PolarHBondContact N-O 3.07Å; K52-E215 HydrophobicContact CD-CG 3.68Å; K52-E215 WeakPolarHBondContact CD-OE1 3.35Å; K52-E215 HydrophobicContact CG-CG 4.18Å; K52-E215 IonicContact NZ-OE1 3.54Å; K52-E215 PolarHBondContact NZ-OE1 2.99Å
53R90.4Very high93.7Very high95 Ų9560.6 Ų60.636%0.35832%0.319SS..  trans-81.5100.4175.4-73.4-179.6-174.8164.91110.3L33 G34 E51 T55 A171L33-R53 PolarHBondContact O-NH1 3.19Å; G34-R53 PolarHBondContact O-NH2 3.2Å; E51-R53 HydrophobicContact CG-CG 4.45Å; E51-R53 WeakPolarHBondContact OE1-CG 3.47Å; E51-R53 IonicContact OE1-NE 3.16Å; E51-R53 PolarHBondContact OE1-NE 2.97Å; E51-R53 VanDerWaalsContact OE1-NE 3.08Å; R53-T55 HydrophobicContact CB-CG2 4.41Å; R53-T55 PolarHBondContact O-N 2.87Å; R53-A171 VanDerWaalsContact NH2-CB 3.25Å
54I89.2Confident93.4Very high31 Ų3155.5 Ų55.516%0.15930%0.3CS..  trans-95.685.9174.4-51.8-53.5000107.9K52 S56 M59 A61 V64K52-I54 HydrophobicContact CB-CD1 4.28Å; K52-I54 PolarHBondContact O-N 3.28Å; I54-S56 PolarHBondContact O-N 3.23Å; I54-M59 HydrophobicContact CG2-CB 4.09Å; I54-A61 HydrophobicContact CD1-CB 3.99Å; I54-A61 HydrophobicContact CG1-CB 4.06Å; I54-V64 HydrophobicContact CD1-CB 3.99Å; I54-V64 HydrophobicContact CD1-CG1 4.38Å; I54-V64 HydrophobicContact CD1-CG2 3.74Å
55T87.4Confident93.1Very high120 Ų12057 Ų5774%0.73631%0.306SS*.  trans-77.2-7-170.558.20000114.1R53 M59R53-T55 HydrophobicContact CB-CG2 4.41Å; R53-T55 PolarHBondContact O-N 2.87Å; T55-M59 PolarHBondContact OG1-SD 2.77Å; T55-M59 VanDerWaalsContact OG1-SD 3.4Å
56S91.3Very high92.9Very high37 Ų3757.4 Ų57.426%0.25931%0.308SS..  trans-145.8140.6-178.4174.50000110.8I54 L58 M59I54-S56 PolarHBondContact O-N 3.23Å; S56-L58 PolarHBondContact O-N 3.33Å; S56-L58 VanDerWaalsContact O-N 3.13Å; S56-L58 WeakPolarHBondContact OG-CB 3.41Å; S56-L58 PolarHBondContact OG-N 3.11Å; S56-L58 VanDerWaalsContact OG-N 3.11Å; S56-M59 WeakPolarHBondContact O-CB 3.45Å; S56-M59 PolarHBondContact O-N 3.23Å
57P87.9Confident92.9Very high132 Ų13257.7 Ų57.786%0.85731%0.31SS*.THydrogen-bonded Turntrans-65-12171.229.3-36.2000113.1M59P57-M59 VanDerWaalsContact C-N 3.31Å
58L95.2Very high92.8Very high156 Ų15659.1 Ų59.182%0.81732%0.317SS*.THydrogen-bonded Turntrans-85-5.3173.6-54.7178.8000112.8S56S56-L58 PolarHBondContact O-N 3.33Å; S56-L58 VanDerWaalsContact O-N 3.13Å; S56-L58 WeakPolarHBondContact OG-CB 3.41Å; S56-L58 PolarHBondContact OG-N 3.11Å; S56-L58 VanDerWaalsContact OG-N 3.11Å
59M91.9Very high92.8Very high67 Ų6763.8 Ų63.833%0.3334%0.337SS..SBendtrans-87.2128.5174.3-71.9174.466.100110.3I54 T55 S56 P57 A61 V64I54-M59 HydrophobicContact CG2-CB 4.09Å; T55-M59 PolarHBondContact OG1-SD 2.77Å; T55-M59 VanDerWaalsContact OG1-SD 3.4Å; S56-M59 WeakPolarHBondContact O-CB 3.45Å; S56-M59 PolarHBondContact O-N 3.23Å; P57-M59 VanDerWaalsContact C-N 3.31Å; M59-A61 PolarHBondContact O-N 3.09Å; M59-V64 HydrophobicContact CE-CG2 3.84Å
60E91.5Very high92.8Very high117 Ų11764.4 Ų64.455%0.54734%0.34SS..  trans-74.8105.7173-69.1-56.4149.500110.3H62 S63E60-H62 PolarHBondContact O-N 2.77Å; E60-H62 IonicContact OE2-CE1 2.72Å; E60-H62 PolarHBondContact OE2-CE1 3.37Å; E60-H62 VanDerWaalsContact OE2-CE1 3.3Å; E60-H62 IonicContact OE2-ND1 3.68Å; E60-S63 WeakPolarHBondContact O-CB 3.36Å; E60-S63 PolarHBondContact O-N 2.92Å; E60-S63 PolarHBondContact O-OG 3.39Å
61A87.6Confident92.8Very high24 Ų2466.1 Ų66.120%0.19835%0.349CS..THydrogen-bonded Turntrans-59.5-24.9-173.500000114.6K52 I54 M59 S63K52-A61 PolarHBondContact NZ-O 3.47Å; I54-A61 HydrophobicContact CD1-CB 3.99Å; I54-A61 HydrophobicContact CG1-CB 4.06Å; M59-A61 PolarHBondContact O-N 3.09Å; A61-S63 VanDerWaalsContact C-N 3.34Å
62H88.3Confident92.9Very high133 Ų13367.4 Ų67.462%0.61636%0.36SS*.THydrogen-bonded Turntrans-77.6-18.9176.268-88.9000113.1E60 V64E60-H62 PolarHBondContact O-N 2.77Å; E60-H62 IonicContact OE2-CE1 2.72Å; E60-H62 PolarHBondContact OE2-CE1 3.37Å; E60-H62 VanDerWaalsContact OE2-CE1 3.3Å; E60-H62 IonicContact OE2-ND1 3.68Å; H62-V64 VanDerWaalsContact C-N 3.31Å
63S89.6Confident93Very high82 Ų8267.2 Ų67.257%0.57336%0.36SS*.THydrogen-bonded Turntrans-81.6-14.5175.372.50000113E60 A61 E65E60-S63 WeakPolarHBondContact O-CB 3.36Å; E60-S63 PolarHBondContact O-N 2.92Å; E60-S63 PolarHBondContact O-OG 3.39Å; A61-S63 VanDerWaalsContact C-N 3.34Å; S63-E65 PolarHBondContact O-N 3.47Å
64V90.9Very high93.4Very high29 Ų2962.7 Ų62.718%0.17634%0.343CS..  trans-91.798.8174.9-177.10000107K52 I54 M59 H62K52-V64 HydrophobicContact CB-CG1 4.3Å; K52-V64 HydrophobicContact CD-CB 4.32Å; K52-V64 HydrophobicContact CD-CG1 4.16Å; K52-V64 WeakPolarHBondContact CD-O 3.05Å; K52-V64 HydrophobicContact CG-CG1 4.44Å; K52-V64 PolarHBondContact NZ-O 3.43Å; I54-V64 HydrophobicContact CD1-CB 3.99Å; I54-V64 HydrophobicContact CD1-CG1 4.38Å; I54-V64 HydrophobicContact CD1-CG2 3.74Å; M59-V64 HydrophobicContact CE-CG2 3.84Å; H62-V64 VanDerWaalsContact C-N 3.31Å
65E91.1Very high93.9Very high137 Ų13761.2 Ų61.264%0.6434%0.335SS*.  trans-108.1135.3173.9-63.7-178.8169.800109.1S63S63-E65 PolarHBondContact O-N 3.47Å
66K94.5Very high94.4Very high10 Ų1055.5 Ų55.54%0.04330%0.3CS..  trans-128.6-15.8-179.5-79.6-159.476.1-152.60113.6S35 C50 E51 T77 T78 E215S35-K66 PolarHBondContact O-NZ 2.89Å; S35-K66 WeakPolarHBondContact OG-CD 3.45Å; S35-K66 WeakPolarHBondContact OG-CE 3.15Å; S35-K66 PolarHBondContact OG-NZ 2.86Å; C50-K66 HydrophobicContact CB-CB 4.46Å; C50-K66 WeakPolarHBondContact SG-CB 3.37Å; E51-K66 VanDerWaalsContact O-CD 3.31Å; E51-K66 WeakPolarHBondContact O-CD 3.31Å; K66-T77 WeakPolarHBondContact O-CA 3.34Å; K66-T77 PolarHBondContact O-OG1 2.92Å; K66-T78 WeakPolarHBondContact CE-O 3.3Å; K66-T78 PolarHBondContact NZ-O 3.24Å; K66-E215 PolarHBondContact N-OE2 2.78Å
67I97.7Very high94.7Very high6 Ų653.8 Ų53.83%0.03129%0.288CS..EExtended strand (participates in β ladder)trans-103.6120.9169.4-51.9-174000108.7L48 C50 C76 E215 S217 Y225 L227L48-I67 HydrophobicContact CB-CD1 4.09Å; L48-I67 HydrophobicContact CB-CG2 4.5Å; L48-I67 HydrophobicContact CD1-CG2 4.24Å; C50-I67 VanDerWaalsContact SG-CG1 3.53Å; I67-C76 CarbonylContact C-O 3.58Å; I67-C76 WeakPolarHBondContact CA-O 3.41Å; I67-E215 HydrophobicContact CD1-CB 3.86Å; I67-E215 WeakPolarHBondContact CD1-O 3.39Å; I67-E215 HydrophobicContact CG1-CB 4Å; I67-E215 PolarHBondContact N-OE2 2.88Å; I67-S217 VanDerWaalsContact CG2-OG 3.31Å; I67-S217 WeakPolarHBondContact CG2-OG 3.34Å; I67-Y225 HydrophobicContact CG2-CE2 4.16Å; I67-Y225 WeakPolarHBondContact CG2-OH 3.42Å; I67-L227 HydrophobicContact CB-CD1 4.23Å
68M97.7Very high95.2Very high29 Ų2947.7 Ų47.714%0.14325%0.248CC..EExtended strand (participates in β ladder)trans-116.5133.6-175-64.3156.3-72.300110.3I70 G75 C76 T78 T85 V89M68-I70 PolarHBondContact O-N 2.9Å; M68-G75 CarbonylContact O-C 3.6Å; M68-G75 WeakPolarHBondContact O-CA 3.35Å; M68-C76 PolarHBondContact N-O 2.99Å; M68-C76 PolarHBondContact O-N 3.39Å; M68-T78 HydrophobicContact CE-CG2 3.98Å; M68-T85 HydrophobicContact CE-CG2 3.46Å; M68-T85 VanDerWaalsContact CE-CG2 3.46Å; M68-T85 HydrophobicContact SD-CG2 3.88Å; M68-V89 HydrophobicContact CB-CG1 4.25Å; M68-V89 HydrophobicContact CE-CG2 3.62Å; M68-V89 HydrophobicContact SD-CB 4.24Å; M68-V89 HydrophobicContact SD-CG1 4Å; M68-V89 HydrophobicContact SD-CG2 3.56Å; M68-V89 VanDerWaalsContact SD-CG2 3.56Å
69K98.3Very high95.3Very high98 Ų9840.4 Ų40.443%0.42621%0.21SC..EExtended strand (participates in β ladder)trans-70.3127.7167.9-170.6176.1-179.2173.40109.6D71 R93 Y225K69-D71 VanDerWaalsContact CE-C 3.48Å; K69-D71 VanDerWaalsContact CE-O 3.24Å; K69-D71 WeakPolarHBondContact CE-O 3.41Å; K69-D71 VanDerWaalsContact CG-O 3.31Å; K69-D71 WeakPolarHBondContact CG-O 3.31Å; K69-R93 PolarHBondContact O-NE 3.17Å; K69-R93 PolarHBondContact O-NH2 3.4Å; K69-Y225 HydrophobicContact CB-CD1 3.84Å; K69-Y225 HydrophobicContact CB-CE1 3.65Å; K69-Y225 HydrophobicContact CB-CE2 4.39Å; K69-Y225 HydrophobicContact CB-CG 4.32Å; K69-Y225 HydrophobicContact CD-CD1 3.69Å; K69-Y225 HydrophobicContact CD-CE1 4.2Å; K69-Y225 HydrophobicContact CD-CG 4.3Å; K69-Y225 HydrophobicContact CG-CD1 3.65Å; K69-Y225 HydrophobicContact CG-CD2 4.48Å; K69-Y225 HydrophobicContact CG-CE1 4.02Å; K69-Y225 HydrophobicContact CG-CG 3.92Å
70I98.6Very high95.5Very high13 Ų1337.8 Ų37.87%0.06720%0.201CC..EExtended strand (participates in β ladder)trans-95.7-49.8170.9-58.2-51.4000109.7M68 I74 C76 V89 A92 R93 A96 V112 F142M68-I70 PolarHBondContact O-N 2.9Å; I70-I74 HydrophobicContact CB-CB 4.14Å; I70-I74 HydrophobicContact CB-CG2 3.93Å; I70-I74 HydrophobicContact CG1-CG2 4.21Å; I70-I74 HydrophobicContact CG2-CG2 4.41Å; I70-I74 PolarHBondContact N-O 3.31Å; I70-C76 HydrophobicContact CD1-CB 4.5Å; I70-C76 HydrophobicContact CG1-CB 4.21Å; I70-V89 HydrophobicContact CD1-CG1 3.86Å; I70-A92 HydrophobicContact CD1-CB 3.86Å; I70-A92 HydrophobicContact CG1-CB 4.3Å; I70-A92 HydrophobicContact CG2-CB 3.82Å; I70-R93 HydrophobicContact CD1-CG 4.3Å; I70-R93 HydrophobicContact CG2-CG 4.4Å; I70-A96 HydrophobicContact CG2-CB 4.45Å; I70-V112 HydrophobicContact CG2-CG1 4.14Å; I70-F142 HydrophobicContact CG1-CE1 4.29Å
71D98.4Very high95.6Very high36 Ų3635.8 Ų35.819%0.19319%0.193CC..EExtended strand (participates in β ladder)trans-144.3173.4175.4-160.7-18.4000108.8K69 H73 I74 A96K69-D71 VanDerWaalsContact CE-C 3.48Å; K69-D71 VanDerWaalsContact CE-O 3.24Å; K69-D71 WeakPolarHBondContact CE-O 3.41Å; K69-D71 VanDerWaalsContact CG-O 3.31Å; K69-D71 WeakPolarHBondContact CG-O 3.31Å; D71-H73 PolarHBondContact O-N 3.49Å; D71-H73 VanDerWaalsContact O-N 3.11Å; D71-H73 IonicContact OD2-CE1 2.68Å; D71-H73 PolarHBondContact OD2-CE1 2.99Å; D71-H73 IonicContact OD2-ND1 3.56Å; D71-I74 HydrophobicContact CB-CB 4.46Å; D71-I74 PolarHBondContact N-O 3.47Å; D71-I74 VanDerWaalsContact N-O 3.08Å; D71-I74 PolarHBondContact O-N 3.31Å; D71-A96 HydrophobicContact CB-CB 4.32Å
72S97.7Very high95.6Very high48 Ų4839.5 Ų39.534%0.33621%0.209SC..THydrogen-bonded Turntrans-46.9-29.2169.853.10000114.6Q106 G224 Y225S72-Q106 PolarHBondContact OG-NE2 2.88Å; S72-G224 CarbonylContact O-C 3.59Å; S72-G224 VanDerWaalsContact O-CA 3.31Å; S72-G224 WeakPolarHBondContact O-CA 3.33Å; S72-Y225 PolarHBondContact O-N 3.3Å
73H98.5Very high95.7Very high12 Ų1235.9 Ų35.96%0.05621%0.208CC..THydrogen-bonded Turntrans-118.67.5-178.968.3-58.5000114.1D71 Q106 I107 G144 V145 I219D71-H73 PolarHBondContact O-N 3.49Å; D71-H73 VanDerWaalsContact O-N 3.11Å; D71-H73 IonicContact OD2-CE1 2.68Å; D71-H73 PolarHBondContact OD2-CE1 2.99Å; D71-H73 IonicContact OD2-ND1 3.56Å; H73-Q106 PolarHBondContact ND1-NE2 3.34Å; H73-I107 PolarHBondContact NE2-O 2.83Å; H73-G144 CarbonylContact O-C 3.53Å; H73-G144 WeakPolarHBondContact O-CA 3.35Å; H73-V145 PolarHBondContact CD2-O 2.9Å; H73-V145 PolarHBondContact O-N 3.31Å; H73-I219 WeakPolarHBondContact O-CG2 3.44Å
74I98.8Very high95.9Very high0 Ų032.5 Ų32.50%018%0.183CC..EExtended strand (participates in β ladder)trans-138.1128.3-177.1-55177.1000110.6I70 D71 I107 V109 V112I70-I74 HydrophobicContact CB-CB 4.14Å; I70-I74 HydrophobicContact CB-CG2 3.93Å; I70-I74 HydrophobicContact CG1-CG2 4.21Å; I70-I74 HydrophobicContact CG2-CG2 4.41Å; I70-I74 PolarHBondContact N-O 3.31Å; D71-I74 HydrophobicContact CB-CB 4.46Å; D71-I74 PolarHBondContact N-O 3.47Å; D71-I74 VanDerWaalsContact N-O 3.08Å; D71-I74 PolarHBondContact O-N 3.31Å; I74-I107 HydrophobicContact CD1-CG2 4.25Å; I74-V109 HydrophobicContact CD1-CG2 4.38Å; I74-V109 HydrophobicContact CG1-CG2 4.25Å; I74-V112 HydrophobicContact CD1-CB 4.43Å; I74-V112 HydrophobicContact CD1-CG2 3.73Å
75G98.7Very high96Very high0 Ų031.4 Ų31.40%018%0.176CC..EExtended strand (participates in β ladder)trans-118.4161.4165.500000111.5M68 A143M68-G75 CarbonylContact O-C 3.6Å; M68-G75 WeakPolarHBondContact O-CA 3.35Å; G75-A143 PolarHBondContact N-O 3.49Å; G75-A143 PolarHBondContact O-N 2.86Å
76C98.6Very high96.1Very high0 Ų033.7 Ų33.70%018%0.179CC..EExtended strand (participates in β ladder)trans-137.7157.9168.475.80000112.3I67 M68 I70 M140 L141 F142I67-C76 CarbonylContact C-O 3.58Å; I67-C76 WeakPolarHBondContact CA-O 3.41Å; M68-C76 PolarHBondContact N-O 2.99Å; M68-C76 PolarHBondContact O-N 3.39Å; I70-C76 HydrophobicContact CD1-CB 4.5Å; I70-C76 HydrophobicContact CG1-CB 4.21Å; C76-M140 HydrophobicContact CB-CE 4.39Å; C76-L141 CarbonylContact C-O 3.57Å; C76-L141 WeakPolarHBondContact CA-O 3.4Å; C76-L141 WeakPolarHBondContact CB-O 3.48Å; C76-F142 HydrophobicContact CB-CD1 3.73Å; C76-F142 HydrophobicContact CB-CE1 3.84Å; C76-F142 HydrophobicContact CB-CG 4.33Å
77T98.3Very high96.1Very high0 Ų036.2 Ų36.20%020%0.195CC..EExtended strand (participates in β ladder)trans-133.4158.5166.6-169.50000109.7A37 L48 K66 M140 L141A37-T77 HydrophobicContact CB-CG2 3.73Å; L48-T77 HydrophobicContact CB-CG2 4.38Å; L48-T77 HydrophobicContact CD1-CG2 4.27Å; L48-T77 HydrophobicContact CD2-CG2 3.94Å; L48-T77 HydrophobicContact CG-CG2 4.43Å; K66-T77 WeakPolarHBondContact O-CA 3.34Å; K66-T77 PolarHBondContact O-OG1 2.92Å; T77-M140 WeakPolarHBondContact O-CA 3.48Å; T77-L141 HydrophobicContact CG2-CB 3.99Å; T77-L141 HydrophobicContact CG2-CD1 4.23Å; T77-L141 HydrophobicContact CG2-CG 4.45Å; T77-L141 PolarHBondContact N-O 2.83Å; T77-L141 PolarHBondContact O-N 2.83Å
78T97.5Very high96Very high4 Ų436.1 Ų36.13%0.02520%0.195CC..EExtended strand (participates in β ladder)trans-134.6159.5-17363.80000112.8K66 M68 T85 A139 M140K66-T78 WeakPolarHBondContact CE-O 3.3Å; K66-T78 PolarHBondContact NZ-O 3.24Å; M68-T78 HydrophobicContact CE-CG2 3.98Å; T78-T85 HydrophobicContact CG2-CG2 3.63Å; T78-T85 WeakPolarHBondContact OG1-CG2 3.36Å; T78-T85 PolarHBondContact OG1-OG1 3.48Å; T78-T85 VanDerWaalsContact OG1-OG1 3.13Å; T78-A139 CarbonylContact C-O 3.51Å; T78-A139 VanDerWaalsContact CA-O 3.23Å; T78-A139 WeakPolarHBondContact CA-O 3.24Å; T78-M140 HydrophobicContact CG2-CB 4.31Å; T78-M140 HydrophobicContact CG2-CE 3.71Å; T78-M140 HydrophobicContact CG2-CG 3.77Å; T78-M140 HydrophobicContact CG2-SD 4.4Å
79S97.4Very high96Very high3 Ų334.8 Ų34.82%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-143.4145.6168.2-160.80000110.7G34 S35 V138 A139 G170G34-S79 VanDerWaalsContact C-OG 3.25Å; G34-S79 WeakPolarHBondContact CA-OG 3.48Å; S35-S79 WeakPolarHBondContact O-CB 3.33Å; S35-S79 PolarHBondContact O-OG 3.3Å; S79-V138 CarbonylContact O-C 3.48Å; S79-V138 VanDerWaalsContact O-CA 3.28Å; S79-V138 WeakPolarHBondContact O-CA 3.37Å; S79-A139 PolarHBondContact N-O 3.35Å; S79-A139 PolarHBondContact O-N 2.6Å; S79-G170 WeakPolarHBondContact OG-CA 3.21Å
80G95.8Very high96Very high12 Ų1234.1 Ų34.112%0.12419%0.19CC..EExtended strand (participates in β ladder)trans116.3-143.5-173.500000112.1I82 G137G80-I82 PolarHBondContact O-N 3.15Å; G80-I82 VanDerWaalsContact O-N 3.13Å; G80-G137 CarbonylContact C-O 3.53Å; G80-G137 WeakPolarHBondContact CA-O 3.32Å
81L93.7Very high95.9Very high75 Ų7537.2 Ų37.239%0.39320%0.2SC..  trans-74.396.6-177.8-62.8-178.9000111.9G83 D84 G137 V138L81-G83 PolarHBondContact O-N 2.84Å; L81-D84 HydrophobicContact CB-CB 4.48Å; L81-D84 WeakPolarHBondContact O-CB 3.42Å; L81-D84 PolarHBondContact O-N 2.95Å; L81-G137 PolarHBondContact N-O 2.88Å; L81-V138 HydrophobicContact CB-CG1 4.45Å; L81-V138 WeakPolarHBondContact O-CG1 3.14Å
82I88.4Confident95.9Very high103 Ų10335.5 Ų35.553%0.52819%0.191SC..Hα-helixtrans-55.5-27.1-176.2-59.8170.1000113.5G80 D84 T85G80-I82 PolarHBondContact O-N 3.15Å; G80-I82 VanDerWaalsContact O-N 3.13Å; I82-D84 VanDerWaalsContact C-N 3.26Å; I82-D84 PolarHBondContact O-N 3.46Å; I82-T85 WeakPolarHBondContact O-CB 3.4Å; I82-T85 PolarHBondContact O-N 2.74Å
83G89.9Confident96Very high57 Ų5738.1 Ų38.159%0.58819%0.194SC*.Hα-helixtrans-59.6-38.217500000112.9L81 T85L81-G83 PolarHBondContact O-N 2.84Å; G83-T85 VanDerWaalsContact C-N 3.34Å
84D93.3Very high96Very high11 Ų1142 Ų426%0.05922%0.218CC..Hα-helixtrans-73.8-28.3-179-68.810.4000111.6L81 I82 R86 T87 R134 F136 G137 V138L81-D84 HydrophobicContact CB-CB 4.48Å; L81-D84 WeakPolarHBondContact O-CB 3.42Å; L81-D84 PolarHBondContact O-N 2.95Å; I82-D84 VanDerWaalsContact C-N 3.26Å; I82-D84 PolarHBondContact O-N 3.46Å; D84-R86 VanDerWaalsContact C-N 3.29Å; D84-R86 PolarHBondContact O-N 3.48Å; D84-T87 PolarHBondContact O-N 3.46Å; D84-R134 IonicContact OD1-CZ 3.83Å; D84-R134 IonicContact OD1-NH1 2.61Å; D84-R134 IonicContact OD1-NH2 3.24Å; D84-R134 PolarHBondContact OD1-NH2 3.37Å; D84-R134 IonicContact OD2-CZ 3.94Å; D84-R134 IonicContact OD2-NH1 3.08Å; D84-R134 PolarHBondContact OD2-NH1 3.2Å; D84-R134 IonicContact OD2-NH2 3.38Å; D84-R134 PolarHBondContact OD2-NH2 2.87Å; D84-F136 HydrophobicContact CB-CB 4.48Å; D84-F136 HydrophobicContact CB-CD1 3.99Å; D84-G137 PolarHBondContact OD2-N 2.89Å; D84-V138 HydrophobicContact CB-CG1 4.02Å; D84-V138 HydrophobicContact CB-CG2 4.37Å
85T94.1Very high96Very high5 Ų544.8 Ų44.83%0.03123%0.231CC..Hα-helixtrans-56.4-38.8-178.9-66.10000113.1M68 T78 I82 G83 T87 L88 V89M68-T85 HydrophobicContact CE-CG2 3.46Å; M68-T85 VanDerWaalsContact CE-CG2 3.46Å; M68-T85 HydrophobicContact SD-CG2 3.88Å; T78-T85 HydrophobicContact CG2-CG2 3.63Å; T78-T85 WeakPolarHBondContact OG1-CG2 3.36Å; T78-T85 PolarHBondContact OG1-OG1 3.48Å; T78-T85 VanDerWaalsContact OG1-OG1 3.13Å; I82-T85 WeakPolarHBondContact O-CB 3.4Å; I82-T85 PolarHBondContact O-N 2.74Å; G83-T85 VanDerWaalsContact C-N 3.34Å; T85-T87 PolarHBondContact O-N 2.8Å; T85-L88 PolarHBondContact O-N 3.14Å; T85-V89 HydrophobicContact CG2-CG2 3.77Å; T85-V89 WeakPolarHBondContact O-CB 3.47Å; T85-V89 VanDerWaalsContact O-CG2 3.24Å; T85-V89 WeakPolarHBondContact O-CG2 3.36Å; T85-V89 PolarHBondContact O-N 3.49Å
86R91.5Very high96Very high186 Ų18644.9 Ų44.970%0.70223%0.232SC*.Hα-helixtrans-60.1-48-173.6-66.3-176.6179-144.7-1.9111.6D84 L88 V89 D90D84-R86 VanDerWaalsContact C-N 3.29Å; D84-R86 PolarHBondContact O-N 3.48Å; R86-L88 VanDerWaalsContact C-N 3.32Å; R86-L88 PolarHBondContact O-N 2.86Å; R86-V89 PolarHBondContact O-N 3.39Å; R86-D90 WeakPolarHBondContact O-CB 3.34Å; R86-D90 VanDerWaalsContact O-CG 3.3Å; R86-D90 PolarHBondContact O-N 3.48Å
87T94.3Very high96Very high62 Ų6250.6 Ų50.638%0.3826%0.262SS..Hα-helixtrans-59.5-42.6179.7-51.50000111.8D84 T85 R91 L119 F136D84-T87 PolarHBondContact O-N 3.46Å; T85-T87 PolarHBondContact O-N 2.8Å; T87-R91 PolarHBondContact O-N 3.48Å; T87-L119 HydrophobicContact CG2-CD2 4.33Å; T87-F136 HydrophobicContact CG2-CE1 4.08Å; T87-F136 HydrophobicContact CG2-CZ 4.32Å
88L96.9Very high96Very high4 Ų454.3 Ų54.32%0.02128%0.282CS..Hα-helixtrans-70.6-39.5179.8-61.4-175.3000112.4T85 R86 R91 A92 V116 L119 F136 V138 M140T85-L88 PolarHBondContact O-N 3.14Å; R86-L88 VanDerWaalsContact C-N 3.32Å; R86-L88 PolarHBondContact O-N 2.86Å; L88-R91 PolarHBondContact O-N 3.46Å; L88-A92 PolarHBondContact O-N 3.42Å; L88-V116 HydrophobicContact CB-CG1 3.85Å; L88-V116 HydrophobicContact CD1-CG1 4.38Å; L88-V116 HydrophobicContact CD2-CG1 3.97Å; L88-V116 HydrophobicContact CG-CG1 4.29Å; L88-L119 HydrophobicContact CD2-CB 4.45Å; L88-L119 HydrophobicContact CD2-CD2 3.78Å; L88-L119 HydrophobicContact CD2-CG 3.92Å; L88-F136 HydrophobicContact CD1-CB 4.15Å; L88-F136 HydrophobicContact CD1-CD1 4.06Å; L88-F136 HydrophobicContact CD1-CG 4.13Å; L88-F136 HydrophobicContact CD2-CD1 3.73Å; L88-F136 HydrophobicContact CD2-CD2 4.09Å; L88-F136 HydrophobicContact CD2-CE1 3.7Å; L88-F136 HydrophobicContact CD2-CE2 4.04Å; L88-F136 HydrophobicContact CD2-CG 3.95Å; L88-F136 HydrophobicContact CD2-CZ 3.85Å; L88-F136 HydrophobicContact CG-CD1 3.78Å; L88-F136 HydrophobicContact CG-CE1 4.05Å; L88-F136 HydrophobicContact CG-CG 4.23Å; L88-V138 HydrophobicContact CD1-CG2 3.4Å; L88-V138 VanDerWaalsContact CD1-CG2 3.4Å; L88-M140 HydrophobicContact CB-CE 4.29Å; L88-M140 HydrophobicContact CB-SD 3.69Å; L88-M140 HydrophobicContact CD1-CG 4.44Å; L88-M140 HydrophobicContact CD1-SD 3.63Å; L88-M140 HydrophobicContact CG-SD 4.33Å
89V97.9Very high96Very high2 Ų257 Ų571%0.01229%0.292CS..Hα-helixtrans-68.2-39.2177.8168.60000111.3M68 I70 T85 R86 A92 R93 M140M68-V89 HydrophobicContact CB-CG1 4.25Å; M68-V89 HydrophobicContact CE-CG2 3.62Å; M68-V89 HydrophobicContact SD-CB 4.24Å; M68-V89 HydrophobicContact SD-CG1 4Å; M68-V89 HydrophobicContact SD-CG2 3.56Å; M68-V89 VanDerWaalsContact SD-CG2 3.56Å; I70-V89 HydrophobicContact CD1-CG1 3.86Å; T85-V89 HydrophobicContact CG2-CG2 3.77Å; T85-V89 WeakPolarHBondContact O-CB 3.47Å; T85-V89 VanDerWaalsContact O-CG2 3.24Å; T85-V89 WeakPolarHBondContact O-CG2 3.36Å; T85-V89 PolarHBondContact O-N 3.49Å; R86-V89 PolarHBondContact O-N 3.39Å; V89-A92 WeakPolarHBondContact O-CB 3.43Å; V89-A92 PolarHBondContact O-N 3.01Å; V89-R93 WeakPolarHBondContact O-CG 3.26Å; V89-R93 PolarHBondContact O-N 3.21Å; V89-M140 HydrophobicContact CG2-CE 3.91Å
90D97Very high96Very high84 Ų8463.7 Ų63.745%0.44932%0.317SS..Hα-helixtrans-67-41.2176.4-71.7-18.7000111R86 A92 R93 V94R86-D90 WeakPolarHBondContact O-CB 3.34Å; R86-D90 VanDerWaalsContact O-CG 3.3Å; R86-D90 PolarHBondContact O-N 3.48Å; D90-A92 VanDerWaalsContact C-N 3.33Å; D90-A92 PolarHBondContact O-N 3.33Å; D90-R93 PolarHBondContact O-N 3.13Å; D90-R93 IonicContact OD1-NH1 3.71Å; D90-V94 WeakPolarHBondContact O-CB 3.38Å; D90-V94 VanDerWaalsContact O-CG2 3.28Å; D90-V94 WeakPolarHBondContact O-CG2 3.24Å; D90-V94 PolarHBondContact O-N 2.86Å
91R97.4Very high96.2Very high78 Ų7870.9 Ų70.929%0.29435%0.345SS..Hα-helixtrans-57.2-46.1170.8175.86672.693.5-4.5111.5T87 L88 R93 V94 E95 L119 E122T87-R91 PolarHBondContact O-N 3.48Å; L88-R91 PolarHBondContact O-N 3.46Å; R91-R93 VanDerWaalsContact C-N 3.35Å; R91-R93 PolarHBondContact O-N 3.49Å; R91-V94 PolarHBondContact O-N 2.93Å; R91-E95 WeakPolarHBondContact O-CB 3.49Å; R91-E95 PolarHBondContact O-N 2.96Å; R91-L119 HydrophobicContact CB-CD2 3.4Å; R91-L119 VanDerWaalsContact CB-CD2 3.4Å; R91-L119 HydrophobicContact CG-CB 4.17Å; R91-L119 HydrophobicContact CG-CD2 3.59Å; R91-E122 IonicContact NH1-OE1 2.83Å; R91-E122 PolarHBondContact NH1-OE1 2.91Å; R91-E122 IonicContact NH1-OE2 3.71Å; R91-E122 IonicContact NH2-OE1 3.35Å; R91-E122 IonicContact NH2-OE2 3.5Å; R91-E122 PolarHBondContact NH2-OE2 2.99Å; R91-E122 VanDerWaalsContact NH2-OE2 3.16Å
92A98.7Very high96.4Very high0 Ų071.3 Ų71.30%035%0.35CS..Hα-helixtrans-59.3-44178.200000112.5I70 L88 V89 D90 A96 V112 V116 F142I70-A92 HydrophobicContact CD1-CB 3.86Å; I70-A92 HydrophobicContact CG1-CB 4.3Å; I70-A92 HydrophobicContact CG2-CB 3.82Å; L88-A92 PolarHBondContact O-N 3.42Å; V89-A92 WeakPolarHBondContact O-CB 3.43Å; V89-A92 PolarHBondContact O-N 3.01Å; D90-A92 VanDerWaalsContact C-N 3.33Å; D90-A92 PolarHBondContact O-N 3.33Å; A92-A96 WeakPolarHBondContact O-CB 3.44Å; A92-A96 PolarHBondContact O-N 3.26Å; A92-V112 HydrophobicContact CB-CG1 3.66Å; A92-V116 HydrophobicContact CB-CG2 3.68Å; A92-F142 HydrophobicContact CB-CE1 4.08Å; A92-F142 HydrophobicContact CB-CZ 4.5Å
93R98.7Very high96.8Very high102 Ų10273.5 Ų73.539%0.38535%0.353SS..Hα-helixtrans-67.5-44.2178.8-74.4170173.1164.7-2.3112.4K69 I70 V89 D90 R91 E95 A96 L97K69-R93 PolarHBondContact O-NE 3.17Å; K69-R93 PolarHBondContact O-NH2 3.4Å; I70-R93 HydrophobicContact CD1-CG 4.3Å; I70-R93 HydrophobicContact CG2-CG 4.4Å; V89-R93 WeakPolarHBondContact O-CG 3.26Å; V89-R93 PolarHBondContact O-N 3.21Å; D90-R93 PolarHBondContact O-N 3.13Å; D90-R93 IonicContact OD1-NH1 3.71Å; R91-R93 VanDerWaalsContact C-N 3.35Å; R91-R93 PolarHBondContact O-N 3.49Å; R93-E95 VanDerWaalsContact C-N 3.32Å; R93-A96 PolarHBondContact O-N 3.34Å; R93-L97 WeakPolarHBondContact O-CB 3.37Å; R93-L97 PolarHBondContact O-N 3.3Å
94V98.6Very high97.2Very high95 Ų9573.6 Ų73.658%0.57635%0.354SS*.Hα-helixtrans-62.2-43.5177.2169.70000110.3D90 R91 L97 N98D90-V94 WeakPolarHBondContact O-CB 3.38Å; D90-V94 VanDerWaalsContact O-CG2 3.28Å; D90-V94 WeakPolarHBondContact O-CG2 3.24Å; D90-V94 PolarHBondContact O-N 2.86Å; R91-V94 PolarHBondContact O-N 2.93Å; V94-L97 PolarHBondContact O-N 3.18Å; V94-N98 VanDerWaalsContact O-CB 3.23Å; V94-N98 WeakPolarHBondContact O-CB 3.29Å; V94-N98 PolarHBondContact O-N 3.25Å
95E98.5Very high97.3Very high58 Ų5876.7 Ų76.727%0.27137%0.368SS..Hα-helixtrans-62.6-47.1178.2-171.863.9-156.900111.6R91 R93 L97 N98 Y99 I107 A115R91-E95 WeakPolarHBondContact O-CB 3.49Å; R91-E95 PolarHBondContact O-N 2.96Å; R93-E95 VanDerWaalsContact C-N 3.32Å; E95-L97 VanDerWaalsContact C-N 3.34Å; E95-L97 PolarHBondContact O-N 2.87Å; E95-N98 PolarHBondContact O-N 3.5Å; E95-Y99 VanDerWaalsContact O-CB 3.28Å; E95-Y99 WeakPolarHBondContact O-CB 3.12Å; E95-Y99 PolarHBondContact O-N 2.94Å; E95-I107 HydrophobicContact CG-CD1 3.74Å; E95-A115 HydrophobicContact CB-CB 4.07Å; E95-A115 HydrophobicContact CG-CB 3.55Å
96A98.6Very high97.5Very high2 Ų280.8 Ų80.82%0.01739%0.387CS..Hα-helixtrans-60.1-44.1178.400000112.4I70 D71 A92 R93 W100 I107 V112I70-A96 HydrophobicContact CG2-CB 4.45Å; D71-A96 HydrophobicContact CB-CB 4.32Å; A92-A96 WeakPolarHBondContact O-CB 3.44Å; A92-A96 PolarHBondContact O-N 3.26Å; R93-A96 PolarHBondContact O-N 3.34Å; A96-W100 PolarHBondContact O-N 2.87Å; A96-W100 VanDerWaalsContact O-N 3.09Å; A96-I107 HydrophobicContact CB-CG2 3.75Å; A96-V112 HydrophobicContact CB-CG2 4.39Å
97L98.4Very high97.8Very high119 Ų11972.1 Ų72.162%0.62335%0.354SS*.Hα-helixtrans-65.3-44.8177.7-178.165.2000112.1R93 V94 E95 W100 F101R93-L97 WeakPolarHBondContact O-CB 3.37Å; R93-L97 PolarHBondContact O-N 3.3Å; V94-L97 PolarHBondContact O-N 3.18Å; E95-L97 VanDerWaalsContact C-N 3.34Å; E95-L97 PolarHBondContact O-N 2.87Å; L97-W100 PolarHBondContact O-N 2.84Å; L97-F101 WeakPolarHBondContact O-CB 3.41Å; L97-F101 PolarHBondContact O-N 3.49Å
98N98.5Very high98Very high79 Ų7971.2 Ų71.242%0.42235%0.351SS..Hα-helixtrans-64.2-43.9179.4-174.924000111.1V94 E95 W100 F101 V102V94-N98 VanDerWaalsContact O-CB 3.23Å; V94-N98 WeakPolarHBondContact O-CB 3.29Å; V94-N98 PolarHBondContact O-N 3.25Å; E95-N98 PolarHBondContact O-N 3.5Å; N98-W100 VanDerWaalsContact C-N 3.31Å; N98-W100 PolarHBondContact O-N 2.88Å; N98-F101 WeakPolarHBondContact O-CB 3.31Å; N98-F101 PolarHBondContact O-N 2.92Å; N98-F101 VanDerWaalsContact O-N 3.11Å; N98-V102 WeakPolarHBondContact O-CG2 3.35Å; N98-V102 PolarHBondContact O-N 2.91Å; N98-V102 WeakPolarHBondContact OD1-CG2 3.29Å
99Y98.6Very high98.1Very high61 Ų6171 Ų7124%0.23935%0.35CS..Hα-helixtrans-58.5-45.2176.7-164.7-82.4000111.3E95 F101 V102 Y103 E105 I107E95-Y99 VanDerWaalsContact O-CB 3.28Å; E95-Y99 WeakPolarHBondContact O-CB 3.12Å; E95-Y99 PolarHBondContact O-N 2.94Å; Y99-F101 VanDerWaalsContact C-N 3.35Å; Y99-F101 PolarHBondContact O-N 2.85Å; Y99-V102 PolarHBondContact O-N 2.85Å; Y99-Y103 AromaticContact CD1-CD2 3.79Å; Y99-Y103 HydrophobicContact CD1-CD2 3.79Å; Y99-Y103 AromaticContact CD2-CD2 3.54Å; Y99-Y103 HydrophobicContact CD2-CD2 3.54Å; Y99-Y103 AromaticContact CD2-CE2 3.6Å; Y99-Y103 HydrophobicContact CD2-CE2 3.6Å; Y99-Y103 AromaticContact CE1-CD2 3.8Å; Y99-Y103 HydrophobicContact CE1-CD2 3.8Å; Y99-Y103 HydrophobicContact CE1-CG 4.27Å; Y99-Y103 AromaticContact CE2-CD2 3.54Å; Y99-Y103 HydrophobicContact CE2-CD2 3.54Å; Y99-Y103 AromaticContact CE2-CE2 3.57Å; Y99-Y103 HydrophobicContact CE2-CE2 3.57Å; Y99-Y103 AromaticContact CG-CD2 3.66Å; Y99-Y103 HydrophobicContact CG-CD2 3.66Å; Y99-Y103 HydrophobicContact CG-CE2 4.16Å; Y99-Y103 AromaticContact CZ-CD2 3.66Å; Y99-Y103 WeakPolarHBondContact O-CB 3.49Å; Y99-Y103 WeakPolarHBondContact O-CD2 3.46Å; Y99-Y103 PolarHBondContact O-N 2.89Å; Y99-E105 WeakPolarHBondContact CD1-O 3.22Å; Y99-E105 HydrophobicContact CE1-CG 3.98Å; Y99-I107 HydrophobicContact CD1-CB 3.69Å; Y99-I107 HydrophobicContact CD1-CG1 4.19Å; Y99-I107 HydrophobicContact CD2-CB 4.22Å; Y99-I107 HydrophobicContact CD2-CD1 3.8Å; Y99-I107 HydrophobicContact CD2-CG1 3.86Å; Y99-I107 HydrophobicContact CE1-CB 4.28Å; Y99-I107 HydrophobicContact CE2-CG1 4.26Å; Y99-I107 HydrophobicContact CG-CB 3.65Å; Y99-I107 HydrophobicContact CG-CD1 3.95Å; Y99-I107 HydrophobicContact CG-CG1 3.83Å
100W97.9Very high98.1Very high143 Ų14375.6 Ų75.654%0.54237%0.371SS..Hα-helixtrans-62-41.5174.6-177.781.8000112.5A96 L97 N98 G104 E105A96-W100 PolarHBondContact O-N 2.87Å; A96-W100 VanDerWaalsContact O-N 3.09Å; L97-W100 PolarHBondContact O-N 2.84Å; N98-W100 VanDerWaalsContact C-N 3.31Å; N98-W100 PolarHBondContact O-N 2.88Å; W100-G104 WeakPolarHBondContact O-CA 3.48Å; W100-G104 PolarHBondContact O-N 3.22Å; W100-E105 WeakPolarHBondContact CA-O 3.5Å
101F98.2Very high98.2Very high163 Ų16372.8 Ų72.872%0.71536%0.362SS*.Hα-helixtrans-64.8-42.2178.4178.8-100.1000112.9L97 N98 Y99L97-F101 WeakPolarHBondContact O-CB 3.41Å; L97-F101 PolarHBondContact O-N 3.49Å; N98-F101 WeakPolarHBondContact O-CB 3.31Å; N98-F101 PolarHBondContact O-N 2.92Å; N98-F101 VanDerWaalsContact O-N 3.11Å; Y99-F101 VanDerWaalsContact C-N 3.35Å; Y99-F101 PolarHBondContact O-N 2.85Å
102V98.5Very high98.2Very high83 Ų8369 Ų6950%0.50335%0.348SS..Hα-helixtrans-79.4-43.9-176.1174.40000111.9N98 Y99N98-V102 WeakPolarHBondContact O-CG2 3.35Å; N98-V102 PolarHBondContact O-N 2.91Å; N98-V102 WeakPolarHBondContact OD1-CG2 3.29Å; Y99-V102 PolarHBondContact O-N 2.85Å
103Y97.9Very high98.2Very high149 Ų14969 Ų6958%0.58435%0.348SS*.Hα-helixtrans-103.7-11.6-171.5-57.4-69.2000113.7Y99 E105Y99-Y103 AromaticContact CD1-CD2 3.79Å; Y99-Y103 HydrophobicContact CD1-CD2 3.79Å; Y99-Y103 AromaticContact CD2-CD2 3.54Å; Y99-Y103 HydrophobicContact CD2-CD2 3.54Å; Y99-Y103 AromaticContact CD2-CE2 3.6Å; Y99-Y103 HydrophobicContact CD2-CE2 3.6Å; Y99-Y103 AromaticContact CE1-CD2 3.8Å; Y99-Y103 HydrophobicContact CE1-CD2 3.8Å; Y99-Y103 HydrophobicContact CE1-CG 4.27Å; Y99-Y103 AromaticContact CE2-CD2 3.54Å; Y99-Y103 HydrophobicContact CE2-CD2 3.54Å; Y99-Y103 AromaticContact CE2-CE2 3.57Å; Y99-Y103 HydrophobicContact CE2-CE2 3.57Å; Y99-Y103 AromaticContact CG-CD2 3.66Å; Y99-Y103 HydrophobicContact CG-CD2 3.66Å; Y99-Y103 HydrophobicContact CG-CE2 4.16Å; Y99-Y103 AromaticContact CZ-CD2 3.66Å; Y99-Y103 WeakPolarHBondContact O-CB 3.49Å; Y99-Y103 WeakPolarHBondContact O-CD2 3.46Å; Y99-Y103 PolarHBondContact O-N 2.89Å; Y103-E105 PolarHBondContact O-N 2.76Å
104G96.9Very high98.2Very high59 Ų5967.8 Ų67.861%0.60835%0.346SS*.SBendtrans70.216.6-178.500000113.9W100W100-G104 WeakPolarHBondContact O-CA 3.48Å; W100-G104 PolarHBondContact O-N 3.22Å
105E96.7Very high98.2Very high76 Ų7663.8 Ų63.836%0.35532%0.323SS..SBendtrans-141.6159.6-178.163.5175.1-142.400112.6Y99 W100 Y103 K147Y99-E105 WeakPolarHBondContact CD1-O 3.22Å; Y99-E105 HydrophobicContact CE1-CG 3.98Å; W100-E105 WeakPolarHBondContact CA-O 3.5Å; Y103-E105 PolarHBondContact O-N 2.76Å; E105-K147 IonicContact OE1-NZ 3.08Å; E105-K147 PolarHBondContact OE1-NZ 3.05Å; E105-K147 IonicContact OE2-NZ 2.64Å; E105-K147 PolarHBondContact OE2-NZ 3.26Å
106Q96.9Very high98.2Very high92 Ų9261 Ų6143%0.4331%0.31SS..PPolyproline II helixtrans-69.5134177.6-71.8174.4-5700110.9S72 H73S72-Q106 PolarHBondContact OG-NE2 2.88Å; H73-Q106 PolarHBondContact ND1-NE2 3.34Å
107I98.4Very high98.2Very high3 Ų361.1 Ų61.12%0.01531%0.311CS..PPolyproline II helixtrans-63.8150173.8-168.3166.3000111.4H73 I74 E95 A96 Y99 V112H73-I107 PolarHBondContact NE2-O 2.83Å; I74-I107 HydrophobicContact CD1-CG2 4.25Å; E95-I107 HydrophobicContact CG-CD1 3.74Å; A96-I107 HydrophobicContact CB-CG2 3.75Å; Y99-I107 HydrophobicContact CD1-CB 3.69Å; Y99-I107 HydrophobicContact CD1-CG1 4.19Å; Y99-I107 HydrophobicContact CD2-CB 4.22Å; Y99-I107 HydrophobicContact CD2-CD1 3.8Å; Y99-I107 HydrophobicContact CD2-CG1 3.86Å; Y99-I107 HydrophobicContact CE1-CB 4.28Å; Y99-I107 HydrophobicContact CE2-CG1 4.26Å; Y99-I107 HydrophobicContact CG-CB 3.65Å; Y99-I107 HydrophobicContact CG-CD1 3.95Å; Y99-I107 HydrophobicContact CG-CG1 3.83Å; I107-V112 HydrophobicContact CB-CG2 4.32Å; I107-V112 HydrophobicContact CD1-CG2 3.88Å; I107-V112 HydrophobicContact CG1-CG2 4.1Å; I107-V112 HydrophobicContact CG2-CG2 3.33Å
108S98.5Very high98Very high44 Ų4459.1 Ų59.131%0.30830%0.3SS..PPolyproline II helixtrans-70.7158.6171.5630000111.9E110 G111 V112 D146S108-E110 PolarHBondContact O-N 3.44Å; S108-G111 PolarHBondContact O-N 2.8Å; S108-G111 PolarHBondContact OG-N 3.15Å; S108-V112 PolarHBondContact O-N 2.89Å; S108-D146 WeakPolarHBondContact CB-OD2 3.48Å
109V98.7Very high97.9Very high0 Ų055.5 Ų55.50%028%0.281CS..Hα-helixtrans-62.9-38.3175.9-169.50000110.5I74 T113 F142 D146 R151 F153I74-V109 HydrophobicContact CD1-CG2 4.38Å; I74-V109 HydrophobicContact CG1-CG2 4.25Å; V109-T113 WeakPolarHBondContact O-CB 3.41Å; V109-T113 PolarHBondContact O-N 3.38Å; V109-T113 PolarHBondContact O-OG1 3.06Å; V109-F142 HydrophobicContact CG1-CB 4.13Å; V109-D146 HydrophobicContact CG2-CB 4.3Å; V109-D146 PolarHBondContact N-OD2 3.28Å; V109-D146 VanDerWaalsContact N-OD2 3.08Å; V109-R151 HydrophobicContact CB-CB 4.02Å; V109-R151 HydrophobicContact CG1-CB 4.4Å; V109-R151 HydrophobicContact CG2-CB 4Å; V109-F153 HydrophobicContact CB-CD2 4.27Å; V109-F153 HydrophobicContact CB-CE2 4.2Å; V109-F153 HydrophobicContact CG1-CD2 3.84Å; V109-F153 HydrophobicContact CG1-CE2 4.29Å
110E98.7Very high97.7Very high98 Ų9852.8 Ų52.846%0.45827%0.271SS..Hα-helixtrans-63-42.5174.6-172.5174.6-16000111.8S108 V112 T113 Q114 F153 F161S108-E110 PolarHBondContact O-N 3.44Å; E110-V112 PolarHBondContact O-N 3.22Å; E110-T113 WeakPolarHBondContact O-CB 3.37Å; E110-T113 PolarHBondContact O-N 3.08Å; E110-T113 VanDerWaalsContact O-N 3.15Å; E110-Q114 WeakPolarHBondContact O-CB 3.24Å; E110-Q114 PolarHBondContact O-N 2.86Å; E110-F153 HydrophobicContact CB-CE1 4.37Å; E110-F153 HydrophobicContact CB-CE2 3.91Å; E110-F153 HydrophobicContact CB-CZ 3.64Å; E110-F153 HydrophobicContact CG-CE1 4.21Å; E110-F153 HydrophobicContact CG-CZ 3.92Å; E110-F161 HydrophobicContact CG-CE2 4.1Å
111G98.4Very high97.4Very high24 Ų2450.5 Ų50.525%0.24727%0.269CS..Hα-helixtrans-60.9-44.4179.800000112.5S108 Q114 A115S108-G111 PolarHBondContact O-N 2.8Å; S108-G111 PolarHBondContact OG-N 3.15Å; G111-Q114 PolarHBondContact O-N 3.33Å; G111-A115 PolarHBondContact O-N 3.11Å; G111-A115 VanDerWaalsContact O-N 3.09Å
112V98.6Very high97Very high0 Ų046.2 Ų46.20%025%0.251CS..Hα-helixtrans-62.2-46.5172.9174.50000110.9I70 I74 A92 A96 I107 S108 E110 Q114 A115 V116 F142I70-V112 HydrophobicContact CG2-CG1 4.14Å; I74-V112 HydrophobicContact CD1-CB 4.43Å; I74-V112 HydrophobicContact CD1-CG2 3.73Å; A92-V112 HydrophobicContact CB-CG1 3.66Å; A96-V112 HydrophobicContact CB-CG2 4.39Å; I107-V112 HydrophobicContact CB-CG2 4.32Å; I107-V112 HydrophobicContact CD1-CG2 3.88Å; I107-V112 HydrophobicContact CG1-CG2 4.1Å; I107-V112 HydrophobicContact CG2-CG2 3.33Å; S108-V112 PolarHBondContact O-N 2.89Å; E110-V112 PolarHBondContact O-N 3.22Å; V112-Q114 VanDerWaalsContact C-N 3.3Å; V112-Q114 PolarHBondContact O-N 3.42Å; V112-A115 PolarHBondContact O-N 3.44Å; V112-V116 WeakPolarHBondContact O-CG2 3.39Å; V112-V116 PolarHBondContact O-N 3.09Å; V112-V116 VanDerWaalsContact O-N 3.11Å; V112-F142 HydrophobicContact CG1-CD1 4.16Å; V112-F142 HydrophobicContact CG1-CE1 3.94Å
113T98.7Very high96.5Very high0 Ų043.5 Ų43.50%023%0.233CC..Hα-helixtrans-60.1-42.2-179.2-54.70000111V109 E110 V116 S117 F142 F153 L155 F161V109-T113 WeakPolarHBondContact O-CB 3.41Å; V109-T113 PolarHBondContact O-N 3.38Å; V109-T113 PolarHBondContact O-OG1 3.06Å; E110-T113 WeakPolarHBondContact O-CB 3.37Å; E110-T113 PolarHBondContact O-N 3.08Å; E110-T113 VanDerWaalsContact O-N 3.15Å; T113-V116 PolarHBondContact O-N 2.91Å; T113-S117 WeakPolarHBondContact O-CB 3.31Å; T113-S117 PolarHBondContact O-N 3.43Å; T113-F142 HydrophobicContact CG2-CD2 4.07Å; T113-F153 HydrophobicContact CG2-CB 3.88Å; T113-F153 HydrophobicContact CG2-CG 4.37Å; T113-L155 HydrophobicContact CG2-CB 4.37Å; T113-F161 HydrophobicContact CG2-CB 3.59Å; T113-F161 HydrophobicContact CG2-CD1 4.3Å; T113-F161 HydrophobicContact CG2-CD2 3.78Å; T113-F161 HydrophobicContact CG2-CG 3.62Å
114Q98.6Very high95.8Very high76 Ų7636.6 Ų36.636%0.35521%0.207SC..Hα-helixtrans-63.6-42.3177-177.665.176.400112.2E110 G111 V112 V116 S117 N118 F161E110-Q114 WeakPolarHBondContact O-CB 3.24Å; E110-Q114 PolarHBondContact O-N 2.86Å; G111-Q114 PolarHBondContact O-N 3.33Å; V112-Q114 VanDerWaalsContact C-N 3.3Å; V112-Q114 PolarHBondContact O-N 3.42Å; Q114-V116 VanDerWaalsContact C-N 3.29Å; Q114-V116 PolarHBondContact O-N 2.87Å; Q114-S117 WeakPolarHBondContact O-CB 3.5Å; Q114-S117 PolarHBondContact O-N 2.95Å; Q114-N118 PolarHBondContact NE2-OD1 3.11Å; Q114-N118 PolarHBondContact O-N 3.41Å; Q114-N118 PolarHBondContact O-OD1 3.25Å; Q114-F161 HydrophobicContact CB-CE1 4.35Å; Q114-F161 HydrophobicContact CB-CZ 4.35Å; Q114-F161 VanDerWaalsContact OE1-CZ 3.32Å
115A98.2Very high94.5Very high10 Ų1037.6 Ų37.68%0.08320%0.198CC..Hα-helixtrans-64.6-35.4178.300000112.6E95 G111 V112 L119E95-A115 HydrophobicContact CB-CB 4.07Å; E95-A115 HydrophobicContact CG-CB 3.55Å; G111-A115 PolarHBondContact O-N 3.11Å; G111-A115 VanDerWaalsContact O-N 3.09Å; V112-A115 PolarHBondContact O-N 3.44Å; A115-L119 PolarHBondContact O-N 2.87Å
116V98.3Very high93.2Very high0 Ų041.6 Ų41.60%022%0.222CC..Hα-helixtrans-75.6-36.6174.8-176.90000111.3L88 A92 V112 T113 Q114 N118 L119 A120 M140 F142 L155L88-V116 HydrophobicContact CB-CG1 3.85Å; L88-V116 HydrophobicContact CD1-CG1 4.38Å; L88-V116 HydrophobicContact CD2-CG1 3.97Å; L88-V116 HydrophobicContact CG-CG1 4.29Å; A92-V116 HydrophobicContact CB-CG2 3.68Å; V112-V116 WeakPolarHBondContact O-CG2 3.39Å; V112-V116 PolarHBondContact O-N 3.09Å; V112-V116 VanDerWaalsContact O-N 3.11Å; T113-V116 PolarHBondContact O-N 2.91Å; Q114-V116 VanDerWaalsContact C-N 3.29Å; Q114-V116 PolarHBondContact O-N 2.87Å; V116-N118 VanDerWaalsContact C-N 3.33Å; V116-N118 PolarHBondContact O-N 3.48Å; V116-L119 WeakPolarHBondContact O-CB 3.28Å; V116-L119 PolarHBondContact O-N 2.77Å; V116-A120 WeakPolarHBondContact O-CB 3.48Å; V116-A120 PolarHBondContact O-N 3.07Å; V116-M140 HydrophobicContact CG1-SD 3.94Å; V116-F142 HydrophobicContact CB-CE2 4.43Å; V116-F142 HydrophobicContact CB-CZ 4.17Å; V116-F142 HydrophobicContact CG1-CE2 4.4Å; V116-F142 HydrophobicContact CG1-CZ 4.16Å; V116-F142 HydrophobicContact CG2-CZ 3.85Å; V116-L155 HydrophobicContact CB-CD2 3.99Å; V116-L155 HydrophobicContact CG1-CD2 3.59Å
117S97.7Very high91.6Very high5 Ų541.9 Ų41.94%0.03523%0.226CC..Hα-helixtrans-57.8-45171.3162.30000111.4T113 Q114 L119 A120 L121 G159T113-S117 WeakPolarHBondContact O-CB 3.31Å; T113-S117 PolarHBondContact O-N 3.43Å; Q114-S117 WeakPolarHBondContact O-CB 3.5Å; Q114-S117 PolarHBondContact O-N 2.95Å; S117-L119 VanDerWaalsContact C-N 3.34Å; S117-L119 PolarHBondContact O-N 3.48Å; S117-A120 WeakPolarHBondContact O-CB 3.4Å; S117-A120 PolarHBondContact O-N 3.46Å; S117-A120 VanDerWaalsContact O-N 3.11Å; S117-L121 PolarHBondContact O-N 3.2Å; S117-G159 WeakPolarHBondContact CB-O 3.22Å; S117-G159 PolarHBondContact OG-O 3.36Å
118N96.2Very high90.2Very high76 Ų7646.7 Ų46.741%0.40627%0.267SS..Hα-helixtrans-60.3-44.7176.1-66.6-11.7000111.2Q114 V116 A120 L121 E122Q114-N118 PolarHBondContact NE2-OD1 3.11Å; Q114-N118 PolarHBondContact O-N 3.41Å; Q114-N118 PolarHBondContact O-OD1 3.25Å; V116-N118 VanDerWaalsContact C-N 3.33Å; V116-N118 PolarHBondContact O-N 3.48Å; N118-A120 VanDerWaalsContact C-N 3.32Å; N118-A120 PolarHBondContact O-N 2.99Å; N118-L121 WeakPolarHBondContact O-CB 3.42Å; N118-L121 PolarHBondContact O-N 3.22Å; N118-L121 VanDerWaalsContact O-N 3.16Å; N118-E122 PolarHBondContact O-N 3.38Å
119L95.1Very high89.1Confident4 Ų453 Ų532%0.02129%0.291CS..Hα-helixtrans-60.4-41173.818051.7000112.4T87 L88 R91 A115 V116 S117 L121 E122 A131 F136T87-L119 HydrophobicContact CG2-CD2 4.33Å; L88-L119 HydrophobicContact CD2-CB 4.45Å; L88-L119 HydrophobicContact CD2-CD2 3.78Å; L88-L119 HydrophobicContact CD2-CG 3.92Å; R91-L119 HydrophobicContact CB-CD2 3.4Å; R91-L119 VanDerWaalsContact CB-CD2 3.4Å; R91-L119 HydrophobicContact CG-CB 4.17Å; R91-L119 HydrophobicContact CG-CD2 3.59Å; A115-L119 PolarHBondContact O-N 2.87Å; V116-L119 WeakPolarHBondContact O-CB 3.28Å; V116-L119 PolarHBondContact O-N 2.77Å; S117-L119 VanDerWaalsContact C-N 3.34Å; S117-L119 PolarHBondContact O-N 3.48Å; L119-L121 PolarHBondContact O-N 3.4Å; L119-L121 VanDerWaalsContact O-N 3.13Å; L119-E122 HydrophobicContact CD1-CB 4.39Å; L119-E122 WeakPolarHBondContact CD1-OE2 3.37Å; L119-E122 WeakPolarHBondContact O-CB 3.23Å; L119-E122 PolarHBondContact O-N 2.9Å; L119-A131 HydrophobicContact CD1-CB 3.24Å; L119-A131 HydrophobicContact CG-CB 4.49Å; L119-F136 HydrophobicContact CD1-CZ 4.35Å; L119-F136 HydrophobicContact CG-CE2 4.3Å; L119-F136 HydrophobicContact CG-CZ 4.14Å; L119-F136 WeakPolarHBondContact O-CE2 3.48Å
120A93.7Very high88.1Confident3 Ų354.2 Ų54.23%0.02530%0.301CS..Hα-helixtrans-62.8-20.1-179.900000112.8V116 S117 N118 F123 F136V116-A120 WeakPolarHBondContact O-CB 3.48Å; V116-A120 PolarHBondContact O-N 3.07Å; S117-A120 WeakPolarHBondContact O-CB 3.4Å; S117-A120 PolarHBondContact O-N 3.46Å; S117-A120 VanDerWaalsContact O-N 3.11Å; N118-A120 VanDerWaalsContact C-N 3.32Å; N118-A120 PolarHBondContact O-N 2.99Å; A120-F123 VanDerWaalsContact O-CD1 3.29Å; A120-F123 WeakPolarHBondContact O-CD1 3.35Å; A120-F136 HydrophobicContact CB-CD2 4.41Å
121L92.1Very high87.2Confident96 Ų9651.5 Ų51.550%0.50330%0.296SS..Hα-helixtrans-89.6-13.1174.6-65.1171.5000113.6S117 N118 L119 F123 S158S117-L121 PolarHBondContact O-N 3.2Å; N118-L121 WeakPolarHBondContact O-CB 3.42Å; N118-L121 PolarHBondContact O-N 3.22Å; N118-L121 VanDerWaalsContact O-N 3.16Å; L119-L121 PolarHBondContact O-N 3.4Å; L119-L121 VanDerWaalsContact O-N 3.13Å; L121-F123 PolarHBondContact O-N 2.85Å; L121-S158 VanDerWaalsContact CD2-O 3.31Å; L121-S158 WeakPolarHBondContact CD2-O 3.4Å
122E90.9Very high86.5Confident72 Ų7252 Ų5234%0.33629%0.292SS..  trans-80.146.4-178.8-68165.6-152.500112R91 N118 L119 A130 A131R91-E122 IonicContact NH1-OE1 2.83Å; R91-E122 PolarHBondContact NH1-OE1 2.91Å; R91-E122 IonicContact NH1-OE2 3.71Å; R91-E122 IonicContact NH2-OE1 3.35Å; R91-E122 IonicContact NH2-OE2 3.5Å; R91-E122 PolarHBondContact NH2-OE2 2.99Å; R91-E122 VanDerWaalsContact NH2-OE2 3.16Å; N118-E122 PolarHBondContact O-N 3.38Å; L119-E122 HydrophobicContact CD1-CB 4.39Å; L119-E122 WeakPolarHBondContact CD1-OE2 3.37Å; L119-E122 WeakPolarHBondContact O-CB 3.23Å; L119-E122 PolarHBondContact O-N 2.9Å; E122-A130 CarbonylContact O-C 3.54Å; E122-A130 WeakPolarHBondContact O-CA 3.08Å; E122-A130 WeakPolarHBondContact O-CB 3.35Å; E122-A131 HydrophobicContact CB-CB 4.11Å; E122-A131 PolarHBondContact O-N 3.34Å
123F86.8Confident86Confident27 Ų2755.8 Ų55.812%0.11832%0.318CS..BIsolated β-bridgetrans-108.8144.4174.765.6-94.7000113.1V12 V24 A120 L121 M132 P135V12-F123 HydrophobicContact CB-CD2 4.07Å; V12-F123 HydrophobicContact CB-CE2 4.26Å; V12-F123 HydrophobicContact CG2-CD2 3.95Å; V12-F123 HydrophobicContact CG2-CE2 4.4Å; V24-F123 HydrophobicContact CG2-CE1 4.49Å; V24-F123 HydrophobicContact CG2-CZ 3.92Å; A120-F123 VanDerWaalsContact O-CD1 3.29Å; A120-F123 WeakPolarHBondContact O-CD1 3.35Å; L121-F123 PolarHBondContact O-N 2.85Å; F123-M132 WeakPolarHBondContact CA-O 3.23Å; F123-M132 WeakPolarHBondContact CB-O 3.32Å; F123-P135 HydrophobicContact CD1-CB 4.21Å; F123-P135 HydrophobicContact CD1-CG 4.09Å; F123-P135 HydrophobicContact CD2-CG 3.91Å; F123-P135 HydrophobicContact CE1-CB 4.22Å; F123-P135 HydrophobicContact CE1-CG 3.95Å; F123-P135 HydrophobicContact CE2-CG 3.77Å; F123-P135 HydrophobicContact CG-CG 4.08Å; F123-P135 HydrophobicContact CZ-CG 3.79Å
124G84.6Confident85.7Confident4 Ų460 Ų604%0.04133%0.334CS..  trans-176.4147.9-179.700000113.5M132 S133G124-M132 PolarHBondContact N-O 2.82Å; G124-M132 VanDerWaalsContact N-O 3.08Å; G124-S133 WeakPolarHBondContact O-CA 3.47Å
125D68.9Low85.5Confident80 Ų8056.5 Ų56.543%0.42832%0.318SS..SBendtrans-74-28.3-175.7-74.4-45000113.3V12V12-D125 PolarHBondContact N-OD2 3.14Å
126D68.7Low85.4Confident160 Ų16056 Ų5686%0.85631%0.314SS*.SBendtrans-130.99.1-172.3-70.6-49000113.8A128D126-A128 PolarHBondContact O-N 2.91Å
127D64.4Low85.3Confident97 Ų9756.1 Ų56.152%0.51932%0.315SS..  trans-89.9109.7-178-69.2-42.5000109.5E129 A130D127-E129 PolarHBondContact O-N 2.93Å; D127-E129 VanDerWaalsContact O-N 3.08Å; D127-A130 HydrophobicContact CB-CB 3.81Å; D127-A130 VanDerWaalsContact O-CB 3.28Å; D127-A130 WeakPolarHBondContact O-CB 3.37Å; D127-A130 PolarHBondContact O-N 2.84Å
128A69.1Low85.3Confident104 Ų10456 Ų5686%0.8631%0.314SS*.THydrogen-bonded Turntrans-59.5-21.9178.400000113.3D126D126-A128 PolarHBondContact O-N 2.91Å
129E74.5Confident85.3Confident176 Ų17652.6 Ų52.682%0.82230%0.297SS*.THydrogen-bonded Turntrans-92.1-5.6176.4-59.3-64.1142.300112.8D127 A131D127-E129 PolarHBondContact O-N 2.93Å; D127-E129 VanDerWaalsContact O-N 3.08Å; E129-A131 PolarHBondContact O-N 2.85Å
130A77Confident85.5Confident26 Ų2652.5 Ų52.522%0.21530%0.296CS..  trans-66133.2178.100000110.3E122 D127 M132E122-A130 CarbonylContact O-C 3.54Å; E122-A130 WeakPolarHBondContact O-CA 3.08Å; E122-A130 WeakPolarHBondContact O-CB 3.35Å; D127-A130 HydrophobicContact CB-CB 3.81Å; D127-A130 VanDerWaalsContact O-CB 3.28Å; D127-A130 WeakPolarHBondContact O-CB 3.37Å; D127-A130 PolarHBondContact O-N 2.84Å; A130-M132 VanDerWaalsContact C-N 3.26Å; A130-M132 PolarHBondContact O-N 3.45Å
131A80.5Confident85.8Confident41 Ų4152.3 Ų52.334%0.33930%0.295SS..SBendtrans-66.9-31.9174.600000111.8L119 E122 E129 F136L119-A131 HydrophobicContact CD1-CB 3.24Å; L119-A131 HydrophobicContact CG-CB 4.49Å; E122-A131 HydrophobicContact CB-CB 4.11Å; E122-A131 PolarHBondContact O-N 3.34Å; E129-A131 PolarHBondContact O-N 2.85Å; A131-F136 HydrophobicContact CB-CZ 4.26Å
132M83.3Confident86.1Confident36 Ų3647.8 Ų47.818%0.17727%0.271CS..BIsolated β-bridgetrans-147.6154.9176-68.4-145.6-49.100112.2F123 G124 A130 R134 F136F123-M132 WeakPolarHBondContact CA-O 3.23Å; F123-M132 WeakPolarHBondContact CB-O 3.32Å; G124-M132 PolarHBondContact N-O 2.82Å; G124-M132 VanDerWaalsContact N-O 3.08Å; A130-M132 VanDerWaalsContact C-N 3.26Å; A130-M132 PolarHBondContact O-N 3.45Å; M132-R134 WeakPolarHBondContact CB-O 3.19Å; M132-R134 WeakPolarHBondContact CE-O 3.37Å; M132-R134 PolarHBondContact O-N 3.17Å; M132-F136 HydrophobicContact CB-CZ 4.43Å; M132-F136 HydrophobicContact CE-CB 4.12Å; M132-F136 HydrophobicContact CE-CD1 3.29Å; M132-F136 HydrophobicContact CE-CD2 3.97Å; M132-F136 HydrophobicContact CE-CE1 3.52Å; M132-F136 HydrophobicContact CE-CE2 4.19Å; M132-F136 HydrophobicContact CE-CG 3.52Å; M132-F136 HydrophobicContact CE-CZ 3.98Å; M132-F136 HydrophobicContact CG-CE1 3.81Å; M132-F136 HydrophobicContact CG-CE2 4.3Å; M132-F136 HydrophobicContact CG-CZ 3.67Å; M132-F136 HydrophobicContact SD-CD1 3.97Å; M132-F136 HydrophobicContact SD-CE1 3.63Å; M132-F136 HydrophobicContact SD-CZ 4.13Å
133S88.7Confident86.5Confident78 Ų7844.3 Ų44.355%0.54526%0.255SS..SBendtrans-73.3-8.7174.159.70000113.9V12 G124V12-S133 WeakPolarHBondContact CG1-O 3.4Å; G124-S133 WeakPolarHBondContact O-CA 3.47Å
134R92.7Very high87Confident88 Ų8843 Ų4333%0.33225%0.249SC..SBendtrans-145.9160.4-177.759.6167.1-179.974.85.2110.9V12 D84 M132V12-R134 HydrophobicContact CG1-CB 4.47Å; D84-R134 IonicContact OD1-CZ 3.83Å; D84-R134 IonicContact OD1-NH1 2.61Å; D84-R134 IonicContact OD1-NH2 3.24Å; D84-R134 PolarHBondContact OD1-NH2 3.37Å; D84-R134 IonicContact OD2-CZ 3.94Å; D84-R134 IonicContact OD2-NH1 3.08Å; D84-R134 PolarHBondContact OD2-NH1 3.2Å; D84-R134 IonicContact OD2-NH2 3.38Å; D84-R134 PolarHBondContact OD2-NH2 2.87Å; M132-R134 WeakPolarHBondContact CB-O 3.19Å; M132-R134 WeakPolarHBondContact CE-O 3.37Å; M132-R134 PolarHBondContact O-N 3.17Å
135P94.3Very high87.7Confident3 Ų343.7 Ų43.72%0.01925%0.252CS..  trans-54.7146.9170.7-23.332.5000111.9Q23 V24 A27 F123 G137Q23-P135 HydrophobicContact CB-CG 4.28Å; V24-P135 HydrophobicContact CG2-CB 4.46Å; V24-P135 HydrophobicContact CG2-CG 3.9Å; A27-P135 HydrophobicContact CB-CB 4Å; F123-P135 HydrophobicContact CD1-CB 4.21Å; F123-P135 HydrophobicContact CD1-CG 4.09Å; F123-P135 HydrophobicContact CD2-CG 3.91Å; F123-P135 HydrophobicContact CE1-CB 4.22Å; F123-P135 HydrophobicContact CE1-CG 3.95Å; F123-P135 HydrophobicContact CE2-CG 3.77Å; F123-P135 HydrophobicContact CG-CG 4.08Å; F123-P135 HydrophobicContact CZ-CG 3.79Å; P135-G137 PolarHBondContact O-N 3.02Å
136F95.6Very high89Confident1 Ų141.1 Ų41.10%0.00424%0.238CC..  trans-67124.7173.9-66.3-95.9000109.5D84 T87 L88 L119 A120 A131 M132 V138 P157D84-F136 HydrophobicContact CB-CB 4.48Å; D84-F136 HydrophobicContact CB-CD1 3.99Å; T87-F136 HydrophobicContact CG2-CE1 4.08Å; T87-F136 HydrophobicContact CG2-CZ 4.32Å; L88-F136 HydrophobicContact CD1-CB 4.15Å; L88-F136 HydrophobicContact CD1-CD1 4.06Å; L88-F136 HydrophobicContact CD1-CG 4.13Å; L88-F136 HydrophobicContact CD2-CD1 3.73Å; L88-F136 HydrophobicContact CD2-CD2 4.09Å; L88-F136 HydrophobicContact CD2-CE1 3.7Å; L88-F136 HydrophobicContact CD2-CE2 4.04Å; L88-F136 HydrophobicContact CD2-CG 3.95Å; L88-F136 HydrophobicContact CD2-CZ 3.85Å; L88-F136 HydrophobicContact CG-CD1 3.78Å; L88-F136 HydrophobicContact CG-CE1 4.05Å; L88-F136 HydrophobicContact CG-CG 4.23Å; L119-F136 HydrophobicContact CD1-CZ 4.35Å; L119-F136 HydrophobicContact CG-CE2 4.3Å; L119-F136 HydrophobicContact CG-CZ 4.14Å; L119-F136 WeakPolarHBondContact O-CE2 3.48Å; A120-F136 HydrophobicContact CB-CD2 4.41Å; A131-F136 HydrophobicContact CB-CZ 4.26Å; M132-F136 HydrophobicContact CB-CZ 4.43Å; M132-F136 HydrophobicContact CE-CB 4.12Å; M132-F136 HydrophobicContact CE-CD1 3.29Å; M132-F136 HydrophobicContact CE-CD2 3.97Å; M132-F136 HydrophobicContact CE-CE1 3.52Å; M132-F136 HydrophobicContact CE-CE2 4.19Å; M132-F136 HydrophobicContact CE-CG 3.52Å; M132-F136 HydrophobicContact CE-CZ 3.98Å; M132-F136 HydrophobicContact CG-CE1 3.81Å; M132-F136 HydrophobicContact CG-CE2 4.3Å; M132-F136 HydrophobicContact CG-CZ 3.67Å; M132-F136 HydrophobicContact SD-CD1 3.97Å; M132-F136 HydrophobicContact SD-CE1 3.63Å; M132-F136 HydrophobicContact SD-CZ 4.13Å; F136-V138 HydrophobicContact CB-CG2 4.12Å; F136-V138 PolarHBondContact O-N 3.01Å; F136-P157 WeakPolarHBondContact O-CB 3.36Å; F136-P157 WeakPolarHBondContact O-CG 3.46Å
137G96.1Very high90.3Very high1 Ų141 Ų411%0.0123%0.23CC..  trans-82.740.5-177.700000113.5G80 L81 D84 P135G80-G137 CarbonylContact C-O 3.53Å; G80-G137 WeakPolarHBondContact CA-O 3.32Å; L81-G137 PolarHBondContact N-O 2.88Å; D84-G137 PolarHBondContact OD2-N 2.89Å; P135-G137 PolarHBondContact O-N 3.02Å
138V97.1Very high91.8Very high4 Ų440.8 Ų40.82%0.02423%0.233CC..EExtended strand (participates in β ladder)trans-135.9141.9-174.1-65.70000112.7S79 L81 D84 L88 F136 P157S79-V138 CarbonylContact O-C 3.48Å; S79-V138 VanDerWaalsContact O-CA 3.28Å; S79-V138 WeakPolarHBondContact O-CA 3.37Å; L81-V138 HydrophobicContact CB-CG1 4.45Å; L81-V138 WeakPolarHBondContact O-CG1 3.14Å; D84-V138 HydrophobicContact CB-CG1 4.02Å; D84-V138 HydrophobicContact CB-CG2 4.37Å; L88-V138 HydrophobicContact CD1-CG2 3.4Å; L88-V138 VanDerWaalsContact CD1-CG2 3.4Å; F136-V138 HydrophobicContact CB-CG2 4.12Å; F136-V138 PolarHBondContact O-N 3.01Å; V138-P157 WeakPolarHBondContact O-CD 3.43Å
139A98.2Very high93.2Very high4 Ų436.7 Ų36.73%0.03320%0.201CC..EExtended strand (participates in β ladder)trans-97.5147.3160.200000109.2I31 T78 S79 L155 I169I31-A139 HydrophobicContact CD1-CB 3.63Å; I31-A139 HydrophobicContact CG1-CB 4.17Å; I31-A139 HydrophobicContact CG2-CB 3.72Å; T78-A139 CarbonylContact C-O 3.51Å; T78-A139 VanDerWaalsContact CA-O 3.23Å; T78-A139 WeakPolarHBondContact CA-O 3.24Å; S79-A139 PolarHBondContact N-O 3.35Å; S79-A139 PolarHBondContact O-N 2.6Å; A139-L155 CarbonylContact C-O 3.59Å; A139-L155 WeakPolarHBondContact CA-O 3.32Å; A139-I169 HydrophobicContact CB-CB 4.15Å; A139-I169 HydrophobicContact CB-CD1 3.89Å; A139-I169 HydrophobicContact CB-CG2 4.05Å
140M98.6Very high94.3Very high1 Ų129.5 Ų29.51%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-126.8140.7177.3-52.9-169.769.100110.7C76 T77 T78 L88 V89 V116 F142 N154 L155C76-M140 HydrophobicContact CB-CE 4.39Å; T77-M140 WeakPolarHBondContact O-CA 3.48Å; T78-M140 HydrophobicContact CG2-CB 4.31Å; T78-M140 HydrophobicContact CG2-CE 3.71Å; T78-M140 HydrophobicContact CG2-CG 3.77Å; T78-M140 HydrophobicContact CG2-SD 4.4Å; L88-M140 HydrophobicContact CB-CE 4.29Å; L88-M140 HydrophobicContact CB-SD 3.69Å; L88-M140 HydrophobicContact CD1-CG 4.44Å; L88-M140 HydrophobicContact CD1-SD 3.63Å; L88-M140 HydrophobicContact CG-SD 4.33Å; V89-M140 HydrophobicContact CG2-CE 3.91Å; V116-M140 HydrophobicContact CG1-SD 3.94Å; M140-F142 HydrophobicContact CB-CD2 4.21Å; M140-F142 HydrophobicContact CB-CE2 3.74Å; M140-F142 HydrophobicContact CB-CZ 4.41Å; M140-F142 HydrophobicContact CE-CE1 4.12Å; M140-F142 HydrophobicContact CE-CE2 3.97Å; M140-F142 HydrophobicContact CE-CZ 3.43Å; M140-F142 VanDerWaalsContact CE-CZ 3.43Å; M140-F142 HydrophobicContact CG-CE2 4.41Å; M140-F142 HydrophobicContact SD-CE2 3.86Å; M140-F142 HydrophobicContact SD-CZ 3.77Å; M140-N154 WeakPolarHBondContact O-CA 3.42Å; M140-L155 HydrophobicContact CB-CB 4.45Å; M140-L155 PolarHBondContact N-O 3.38Å; M140-L155 PolarHBondContact O-N 3.27Å
141L98.9Very high95.3Very high0 Ų031.2 Ų31.20%017%0.17CC..EExtended strand (participates in β ladder)trans-108.4116.3163.4-62.2179.7000108.3L48 C76 T77 L152 F153 N154 K167 I169L48-L141 HydrophobicContact CD2-CB 3.97Å; L48-L141 HydrophobicContact CD2-CD1 4.48Å; C76-L141 CarbonylContact C-O 3.57Å; C76-L141 WeakPolarHBondContact CA-O 3.4Å; C76-L141 WeakPolarHBondContact CB-O 3.48Å; T77-L141 HydrophobicContact CG2-CB 3.99Å; T77-L141 HydrophobicContact CG2-CD1 4.23Å; T77-L141 HydrophobicContact CG2-CG 4.45Å; T77-L141 PolarHBondContact N-O 2.83Å; T77-L141 PolarHBondContact O-N 2.83Å; L141-L152 HydrophobicContact CB-CD1 4.19Å; L141-F153 CarbonylContact C-O 3.55Å; L141-F153 VanDerWaalsContact CA-O 3.29Å; L141-F153 WeakPolarHBondContact CA-O 3.43Å; L141-N154 HydrophobicContact CD2-CB 3.84Å; L141-K167 HydrophobicContact CD2-CB 3.91Å; L141-K167 HydrophobicContact CD2-CG 3.74Å; L141-I169 HydrophobicContact CD1-CD1 4.41Å; L141-I169 HydrophobicContact CD1-CG1 4.18Å; L141-I169 HydrophobicContact CD2-CG2 4.11Å; L141-I169 HydrophobicContact CG-CD1 3.94Å; L141-I169 HydrophobicContact CG-CG1 4.17Å; L141-I169 HydrophobicContact CG-CG2 4.35Å
142F98.9Very high96.2Very high0 Ų029.2 Ų29.20%015%0.154CC..EExtended strand (participates in β ladder)trans-96122171-72.5-83.9000109.1I70 C76 A92 V109 V112 T113 V116 M140 L152 F153 L155I70-F142 HydrophobicContact CG1-CE1 4.29Å; C76-F142 HydrophobicContact CB-CD1 3.73Å; C76-F142 HydrophobicContact CB-CE1 3.84Å; C76-F142 HydrophobicContact CB-CG 4.33Å; A92-F142 HydrophobicContact CB-CE1 4.08Å; A92-F142 HydrophobicContact CB-CZ 4.5Å; V109-F142 HydrophobicContact CG1-CB 4.13Å; V112-F142 HydrophobicContact CG1-CD1 4.16Å; V112-F142 HydrophobicContact CG1-CE1 3.94Å; T113-F142 HydrophobicContact CG2-CD2 4.07Å; V116-F142 HydrophobicContact CB-CE2 4.43Å; V116-F142 HydrophobicContact CB-CZ 4.17Å; V116-F142 HydrophobicContact CG1-CE2 4.4Å; V116-F142 HydrophobicContact CG1-CZ 4.16Å; V116-F142 HydrophobicContact CG2-CZ 3.85Å; M140-F142 HydrophobicContact CB-CD2 4.21Å; M140-F142 HydrophobicContact CB-CE2 3.74Å; M140-F142 HydrophobicContact CB-CZ 4.41Å; M140-F142 HydrophobicContact CE-CE1 4.12Å; M140-F142 HydrophobicContact CE-CE2 3.97Å; M140-F142 HydrophobicContact CE-CZ 3.43Å; M140-F142 VanDerWaalsContact CE-CZ 3.43Å; M140-F142 HydrophobicContact CG-CE2 4.41Å; M140-F142 HydrophobicContact SD-CE2 3.86Å; M140-F142 HydrophobicContact SD-CZ 3.77Å; F142-L152 CarbonylContact O-C 3.54Å; F142-L152 VanDerWaalsContact O-CA 3.31Å; F142-L152 WeakPolarHBondContact O-CA 3.34Å; F142-F153 HydrophobicContact CB-CB 4.42Å; F142-F153 PolarHBondContact N-O 3.44Å; F142-F153 PolarHBondContact O-N 3.01Å; F142-L155 HydrophobicContact CE2-CD2 4.2Å
143A98.9Very high96.9Very high0 Ų027.7 Ų27.70%015%0.146CC..EExtended strand (participates in β ladder)trans-124.8124.2179.900000109.1V46 L48 G75 R151 L152 I219V46-A143 HydrophobicContact CB-CB 4.05Å; V46-A143 HydrophobicContact CG2-CB 3.7Å; L48-A143 HydrophobicContact CD1-CB 3.76Å; L48-A143 HydrophobicContact CD2-CB 3.69Å; L48-A143 HydrophobicContact CG-CB 3.57Å; G75-A143 PolarHBondContact N-O 3.49Å; G75-A143 PolarHBondContact O-N 2.86Å; A143-R151 WeakPolarHBondContact CA-O 3.48Å; A143-L152 HydrophobicContact CB-CD1 4.08Å; A143-I219 HydrophobicContact CB-CD1 4.04Å
144G98.7Very high97.4Very high0 Ų024.6 Ų24.60%012%0.123CC..EExtended strand (participates in β ladder)trans-153.5174.6174.100000113.4H73 P150 R151H73-G144 CarbonylContact O-C 3.53Å; H73-G144 WeakPolarHBondContact O-CA 3.35Å; G144-P150 WeakPolarHBondContact O-CA 3.23Å; G144-R151 PolarHBondContact N-O 2.95Å; G144-R151 PolarHBondContact O-N 2.95Å
145V98.7Very high97.7Very high18 Ų1820.5 Ų20.511%0.10911%0.108CC..EExtended strand (participates in β ladder)trans-122.1110.6170.7179.90000107.6V46 H73 G149 P150 I219 K221V46-V145 HydrophobicContact CG2-CG2 4.48Å; H73-V145 PolarHBondContact CD2-O 2.9Å; H73-V145 PolarHBondContact O-N 3.31Å; V145-G149 WeakPolarHBondContact CA-O 3.21Å; V145-P150 HydrophobicContact CG2-CB 4.09Å; V145-P150 HydrophobicContact CG2-CG 4.21Å; V145-I219 HydrophobicContact CG2-CG2 4.16Å; V145-I219 WeakPolarHBondContact CG2-O 3.32Å; V145-K221 HydrophobicContact CG1-CB 4.17Å
146D96.9Very high97.8Very high25 Ų2522.2 Ų22.213%0.13412%0.117CC..EExtended strand (participates in β ladder)trans-110.2-168.3176.767.733.3000111.3S108 V109 T148 G149S108-D146 WeakPolarHBondContact CB-OD2 3.48Å; V109-D146 HydrophobicContact CG2-CB 4.3Å; V109-D146 PolarHBondContact N-OD2 3.28Å; V109-D146 VanDerWaalsContact N-OD2 3.08Å; D146-T148 PolarHBondContact O-N 3.42Å; D146-T148 VanDerWaalsContact O-N 3.13Å; D146-T148 WeakPolarHBondContact OD1-CA 3.09Å; D146-T148 WeakPolarHBondContact OD1-CB 3.26Å; D146-T148 PolarHBondContact OD1-N 3.49Å; D146-T148 PolarHBondContact OD1-OG1 3.29Å; D146-G149 PolarHBondContact N-O 3.43Å; D146-G149 PolarHBondContact O-N 2.99Å
147K95.6Very high97.8Very high157 Ų15722.2 Ų22.268%0.68312%0.118SC*.THydrogen-bonded Turntrans-57.9-25.8-179.2-62.2176.8-176.4171.20113.1E105E105-K147 IonicContact OE1-NZ 3.08Å; E105-K147 PolarHBondContact OE1-NZ 3.05Å; E105-K147 IonicContact OE2-NZ 2.64Å; E105-K147 PolarHBondContact OE2-NZ 3.26Å
148T95.8Very high97.8Very high93 Ų9324 Ų2457%0.57113%0.129SC*.THydrogen-bonded Turntrans-88.7-9.3179.467.50000113.2D146 R151D146-T148 PolarHBondContact O-N 3.42Å; D146-T148 VanDerWaalsContact O-N 3.13Å; D146-T148 WeakPolarHBondContact OD1-CA 3.09Å; D146-T148 WeakPolarHBondContact OD1-CB 3.26Å; D146-T148 PolarHBondContact OD1-N 3.49Å; D146-T148 PolarHBondContact OD1-OG1 3.29Å; T148-R151 PolarHBondContact OG1-NE 2.92Å; T148-R151 PolarHBondContact OG1-NH2 2.9Å; T148-R151 VanDerWaalsContact OG1-NH2 3.12Å
149G97.4Very high97.6Very high19 Ų1924 Ų2420%0.19613%0.131CC..EExtended strand (participates in β ladder)trans116.6-164.417900000112.8V145 D146V145-G149 WeakPolarHBondContact CA-O 3.21Å; D146-G149 PolarHBondContact N-O 3.43Å; D146-G149 PolarHBondContact O-N 2.99Å
150P98.5Very high97.6Very high24 Ų2427.3 Ų27.316%0.15615%0.151CC..EExtended strand (participates in β ladder)trans-68.5132.3176.3-17.132.2000111Q41 T42 V46 G144 V145Q41-P150 HydrophobicContact CG-CB 4.17Å; Q41-P150 PolarHBondContact NE2-O 2.97Å; T42-P150 WeakPolarHBondContact O-CG 3.35Å; V46-P150 HydrophobicContact CG1-CB 3.7Å; G144-P150 WeakPolarHBondContact O-CA 3.23Å; V145-P150 HydrophobicContact CG2-CB 4.09Å; V145-P150 HydrophobicContact CG2-CG 4.21Å
151R98.7Very high97.5Very high62 Ų6229.4 Ų29.423%0.23416%0.16CC..EExtended strand (participates in β ladder)trans-135.6141.3-177-61.6-67.2-159.7155.518.5110.4V109 A143 G144 T148 F153 E163V109-R151 HydrophobicContact CB-CB 4.02Å; V109-R151 HydrophobicContact CG1-CB 4.4Å; V109-R151 HydrophobicContact CG2-CB 4Å; A143-R151 WeakPolarHBondContact CA-O 3.48Å; G144-R151 PolarHBondContact N-O 2.95Å; G144-R151 PolarHBondContact O-N 2.95Å; T148-R151 PolarHBondContact OG1-NE 2.92Å; T148-R151 PolarHBondContact OG1-NH2 2.9Å; T148-R151 VanDerWaalsContact OG1-NH2 3.12Å; R151-F153 HydrophobicContact CB-CD2 4.4Å; R151-F153 HydrophobicContact CB-CE2 3.92Å; R151-E163 WeakPolarHBondContact CD-OE1 3.05Å; R151-E163 IonicContact CZ-OE1 2.78Å; R151-E163 IonicContact CZ-OE2 3.3Å; R151-E163 IonicContact NE-OE1 2.76Å; R151-E163 IonicContact NH1-OE1 2.65Å; R151-E163 PolarHBondContact NH1-OE1 2.9Å; R151-E163 IonicContact NH1-OE2 2.66Å; R151-E163 PolarHBondContact NH1-OE2 3.41Å
152L98.9Very high97.5Very high0 Ų034 Ų340%018%0.183CC..EExtended strand (participates in β ladder)trans-132.9124.2175.5171.172.4000109G39 Q41 V46 L48 L141 F142 A143 E163 C164G39-L152 VanDerWaalsContact C-CD2 3.41Å; G39-L152 WeakPolarHBondContact O-CD2 3.12Å; Q41-L152 HydrophobicContact CB-CB 4.34Å; V46-L152 HydrophobicContact CG1-CB 4.48Å; L48-L152 HydrophobicContact CD2-CD1 4.18Å; L141-L152 HydrophobicContact CB-CD1 4.19Å; F142-L152 CarbonylContact O-C 3.54Å; F142-L152 VanDerWaalsContact O-CA 3.31Å; F142-L152 WeakPolarHBondContact O-CA 3.34Å; A143-L152 HydrophobicContact CB-CD1 4.08Å; L152-E163 CarbonylContact O-C 3.57Å; L152-E163 WeakPolarHBondContact O-CA 3.37Å; L152-C164 WeakPolarHBondContact CB-O 3.36Å; L152-C164 HydrophobicContact CD2-CB 4.37Å; L152-C164 PolarHBondContact O-N 3.36Å
153F98.9Very high97.5Very high4 Ų437.8 Ų37.82%0.01820%0.201CC..EExtended strand (participates in β ladder)trans-120.5138.5178-70.8-88.4000110.9V109 E110 T113 L141 F142 R151 F161 I162 E163V109-F153 HydrophobicContact CB-CD2 4.27Å; V109-F153 HydrophobicContact CB-CE2 4.2Å; V109-F153 HydrophobicContact CG1-CD2 3.84Å; V109-F153 HydrophobicContact CG1-CE2 4.29Å; E110-F153 HydrophobicContact CB-CE1 4.37Å; E110-F153 HydrophobicContact CB-CE2 3.91Å; E110-F153 HydrophobicContact CB-CZ 3.64Å; E110-F153 HydrophobicContact CG-CE1 4.21Å; E110-F153 HydrophobicContact CG-CZ 3.92Å; T113-F153 HydrophobicContact CG2-CB 3.88Å; T113-F153 HydrophobicContact CG2-CG 4.37Å; L141-F153 CarbonylContact C-O 3.55Å; L141-F153 VanDerWaalsContact CA-O 3.29Å; L141-F153 WeakPolarHBondContact CA-O 3.43Å; F142-F153 HydrophobicContact CB-CB 4.42Å; F142-F153 PolarHBondContact N-O 3.44Å; F142-F153 PolarHBondContact O-N 3.01Å; R151-F153 HydrophobicContact CB-CD2 4.4Å; R151-F153 HydrophobicContact CB-CE2 3.92Å; F153-F161 AromaticContact CD1-CD2 3.74Å; F153-F161 HydrophobicContact CD1-CD2 3.74Å; F153-F161 HydrophobicContact CD1-CE2 4.23Å; F153-F161 HydrophobicContact CE1-CD2 4.13Å; F153-F161 HydrophobicContact CE1-CE2 4.17Å; F153-I162 WeakPolarHBondContact CA-O 3.4Å; F153-E163 HydrophobicContact CD1-CB 3.87Å; F153-E163 HydrophobicContact CD1-CG 4.34Å; F153-E163 HydrophobicContact CE1-CB 3.53Å; F153-E163 HydrophobicContact CE1-CG 3.96Å; F153-E163 HydrophobicContact CE2-CG 4.47Å; F153-E163 HydrophobicContact CZ-CB 4.09Å; F153-E163 HydrophobicContact CZ-CG 4.02Å
154N98.8Very high97.5Very high12 Ų1238.8 Ų38.86%0.06421%0.208CC..EExtended strand (participates in β ladder)trans-103.4124.5169.1174.870.3000109.3M140 L141 F161 I162 K167 I169M140-N154 WeakPolarHBondContact O-CA 3.42Å; L141-N154 HydrophobicContact CD2-CB 3.84Å; N154-F161 CarbonylContact O-C 3.56Å; N154-F161 WeakPolarHBondContact O-CA 3.26Å; N154-F161 WeakPolarHBondContact O-CB 3.43Å; N154-I162 PolarHBondContact N-O 2.77Å; N154-I162 PolarHBondContact O-N 2.95Å; N154-K167 HydrophobicContact CB-CG 4Å; N154-I169 WeakPolarHBondContact OD1-CG2 3.4Å
155L98.7Very high97.5Very high3 Ų341.5 Ų41.52%0.01623%0.227CC..EExtended strand (participates in β ladder)trans-114.7135.2172.9170.864.7000109.1T113 V116 A139 M140 F142 F161T113-L155 HydrophobicContact CG2-CB 4.37Å; V116-L155 HydrophobicContact CB-CD2 3.99Å; V116-L155 HydrophobicContact CG1-CD2 3.59Å; A139-L155 CarbonylContact C-O 3.59Å; A139-L155 WeakPolarHBondContact CA-O 3.32Å; M140-L155 HydrophobicContact CB-CB 4.45Å; M140-L155 PolarHBondContact N-O 3.38Å; M140-L155 PolarHBondContact O-N 3.27Å; F142-L155 HydrophobicContact CE2-CD2 4.2Å; L155-F161 HydrophobicContact CB-CB 4.16Å; L155-F161 HydrophobicContact CD1-CB 4.06Å
156D96.8Very high97.5Very high38 Ų3841.4 Ų41.420%0.20323%0.228CC..  trans-119.7171.6176.875.539000112.3S158 G159 T160D156-S158 PolarHBondContact O-N 3.29Å; D156-S158 WeakPolarHBondContact OD1-CA 3.38Å; D156-S158 WeakPolarHBondContact OD1-CB 3.38Å; D156-S158 PolarHBondContact OD1-N 3.24Å; D156-S158 PolarHBondContact OD1-OG 3.24Å; D156-G159 PolarHBondContact O-N 2.92Å; D156-T160 PolarHBondContact N-O 3.43Å; D156-T160 VanDerWaalsContact N-O 3.17Å
157P95.5Very high97.6Very high2 Ų243.2 Ų43.21%0.01324%0.235CC..THydrogen-bonded Turntrans-58.4-16.6-177.2-3138.9000116A27 I28 I31 F136 V138 G159A27-P157 HydrophobicContact CB-CB 3.68Å; A27-P157 HydrophobicContact CB-CG 3.99Å; I28-P157 HydrophobicContact CG1-CB 4.44Å; I28-P157 HydrophobicContact CG1-CG 4.26Å; I31-P157 HydrophobicContact CD1-CG 3.6Å; I31-P157 HydrophobicContact CG1-CG 4.27Å; F136-P157 WeakPolarHBondContact O-CB 3.36Å; F136-P157 WeakPolarHBondContact O-CG 3.46Å; V138-P157 WeakPolarHBondContact O-CD 3.43Å; P157-G159 PolarHBondContact O-N 3.3Å
158S94.5Very high97.7Very high37 Ų3735.9 Ų35.926%0.25920%0.203SC..THydrogen-bonded Turntrans-76-4.7176.574.80000113L121 D156 T160L121-S158 VanDerWaalsContact CD2-O 3.31Å; L121-S158 WeakPolarHBondContact CD2-O 3.4Å; D156-S158 PolarHBondContact O-N 3.29Å; D156-S158 WeakPolarHBondContact OD1-CA 3.38Å; D156-S158 WeakPolarHBondContact OD1-CB 3.38Å; D156-S158 PolarHBondContact OD1-N 3.24Å; D156-S158 PolarHBondContact OD1-OG 3.24Å; S158-T160 PolarHBondContact O-N 3.38Å; S158-T160 VanDerWaalsContact OG-CB 3.23Å; S158-T160 WeakPolarHBondContact OG-CB 3.3Å; S158-T160 PolarHBondContact OG-N 2.89Å; S158-T160 PolarHBondContact OG-OG1 2.94Å
159G94.3Very high97.8Very high6 Ų631.7 Ų31.76%0.06218%0.177CC..SBendtrans79.3-6.3-169.300000112.9S117 D156 P157 F161S117-G159 WeakPolarHBondContact CB-O 3.22Å; S117-G159 PolarHBondContact OG-O 3.36Å; D156-G159 PolarHBondContact O-N 2.92Å; P157-G159 PolarHBondContact O-N 3.3Å; G159-F161 PolarHBondContact O-N 2.95Å
160T96.8Very high97.8Very high72 Ų7230.9 Ų30.944%0.44217%0.168SC..  trans-70.7129.3176.1-55.70000109.9D156 S158 I162D156-T160 PolarHBondContact N-O 3.43Å; D156-T160 VanDerWaalsContact N-O 3.17Å; S158-T160 PolarHBondContact O-N 3.38Å; S158-T160 VanDerWaalsContact OG-CB 3.23Å; S158-T160 WeakPolarHBondContact OG-CB 3.3Å; S158-T160 PolarHBondContact OG-N 2.89Å; S158-T160 PolarHBondContact OG-OG1 2.94Å; T160-I162 HydrophobicContact CG2-CD1 4.42Å; T160-I162 HydrophobicContact CG2-CG1 4.2Å
161F98.2Very high97.7Very high45 Ų4532 Ų3220%0.19718%0.18CC..EExtended strand (participates in β ladder)trans-122.7148.1167.969.8-86.3000112.1E110 T113 Q114 F153 N154 L155 G159E110-F161 HydrophobicContact CG-CE2 4.1Å; T113-F161 HydrophobicContact CG2-CB 3.59Å; T113-F161 HydrophobicContact CG2-CD1 4.3Å; T113-F161 HydrophobicContact CG2-CD2 3.78Å; T113-F161 HydrophobicContact CG2-CG 3.62Å; Q114-F161 HydrophobicContact CB-CE1 4.35Å; Q114-F161 HydrophobicContact CB-CZ 4.35Å; Q114-F161 VanDerWaalsContact OE1-CZ 3.32Å; F153-F161 AromaticContact CD1-CD2 3.74Å; F153-F161 HydrophobicContact CD1-CD2 3.74Å; F153-F161 HydrophobicContact CD1-CE2 4.23Å; F153-F161 HydrophobicContact CE1-CD2 4.13Å; F153-F161 HydrophobicContact CE1-CE2 4.17Å; N154-F161 CarbonylContact O-C 3.56Å; N154-F161 WeakPolarHBondContact O-CA 3.26Å; N154-F161 WeakPolarHBondContact O-CB 3.43Å; L155-F161 HydrophobicContact CB-CB 4.16Å; L155-F161 HydrophobicContact CD1-CB 4.06Å; G159-F161 PolarHBondContact O-N 2.95Å
162I98.5Very high97.5Very high96 Ų9630 Ų3049%0.49218%0.177SC..EExtended strand (participates in β ladder)trans-138.4131.6-175-57.1174.3000109F153 N154 T160 C164F153-I162 WeakPolarHBondContact CA-O 3.4Å; N154-I162 PolarHBondContact N-O 2.77Å; N154-I162 PolarHBondContact O-N 2.95Å; T160-I162 HydrophobicContact CG2-CD1 4.42Å; T160-I162 HydrophobicContact CG2-CG1 4.2Å; I162-C164 PolarHBondContact O-SG 3.04Å; I162-C164 VanDerWaalsContact O-SG 3.4Å
163E98.7Very high97.4Very high80 Ų8031.4 Ų31.437%0.37419%0.186SC..EExtended strand (participates in β ladder)trans-70.3130.8169.9-165.1179.1174.900110.3R151 L152 F153R151-E163 WeakPolarHBondContact CD-OE1 3.05Å; R151-E163 IonicContact CZ-OE1 2.78Å; R151-E163 IonicContact CZ-OE2 3.3Å; R151-E163 IonicContact NE-OE1 2.76Å; R151-E163 IonicContact NH1-OE1 2.65Å; R151-E163 PolarHBondContact NH1-OE1 2.9Å; R151-E163 IonicContact NH1-OE2 2.66Å; R151-E163 PolarHBondContact NH1-OE2 3.41Å; L152-E163 CarbonylContact O-C 3.57Å; L152-E163 WeakPolarHBondContact O-CA 3.37Å; F153-E163 HydrophobicContact CD1-CB 3.87Å; F153-E163 HydrophobicContact CD1-CG 4.34Å; F153-E163 HydrophobicContact CE1-CB 3.53Å; F153-E163 HydrophobicContact CE1-CG 3.96Å; F153-E163 HydrophobicContact CE2-CG 4.47Å; F153-E163 HydrophobicContact CZ-CB 4.09Å; F153-E163 HydrophobicContact CZ-CG 4.02Å
164C98.5Very high97.3Very high21 Ų2138.3 Ų38.314%0.14222%0.218CC..  trans-129.7140.7-174.6-610000110.7L152 I162 K167L152-C164 WeakPolarHBondContact CB-O 3.36Å; L152-C164 HydrophobicContact CD2-CB 4.37Å; L152-C164 PolarHBondContact O-N 3.36Å; I162-C164 PolarHBondContact O-SG 3.04Å; I162-C164 VanDerWaalsContact O-SG 3.4Å; C164-K167 HydrophobicContact CB-CB 4.03Å
165S98.5Very high97.2Very high58 Ų5841 Ų4141%0.40624%0.238SC..SBendtrans-74.7-34.5168.2-54.70000112.2Q41 Y184Q41-S165 WeakPolarHBondContact CB-O 3.46Å; Q41-S165 PolarHBondContact N-O 3.36Å; S165-Y184 WeakPolarHBondContact CB-OH 3.31Å
166A98.8Very high97.2Very high15 Ų1540.8 Ų40.812%0.12424%0.237CC..EExtended strand (participates in β ladder)trans-154.8142.4170.200000109.8G39 I40 L180 Y184G39-A166 CarbonylContact O-C 3.56Å; G39-A166 VanDerWaalsContact O-CA 3.26Å; G39-A166 WeakPolarHBondContact O-CA 3.48Å; I40-A166 HydrophobicContact CG1-CB 4.19Å; A166-L180 HydrophobicContact CB-CD1 4.3Å; A166-L180 HydrophobicContact CB-CD2 4.16Å; A166-Y184 HydrophobicContact CB-CD2 4.03Å; A166-Y184 HydrophobicContact CB-CE2 4.43Å; A166-Y184 HydrophobicContact CB-CG 4.34Å
167K98.7Very high97.3Very high64 Ų6440.8 Ų40.828%0.27824%0.236SC..EExtended strand (participates in β ladder)trans-148.7138.2-178.3-17570.4179.8178.90111.5I38 G39 L141 N154 C164 I169I38-K167 CarbonylContact C-O 3.51Å; I38-K167 WeakPolarHBondContact CA-O 3.31Å; G39-K167 PolarHBondContact N-O 2.68Å; G39-K167 PolarHBondContact O-N 2.91Å; L141-K167 HydrophobicContact CD2-CB 3.91Å; L141-K167 HydrophobicContact CD2-CG 3.74Å; N154-K167 HydrophobicContact CB-CG 4Å; C164-K167 HydrophobicContact CB-CB 4.03Å; K167-I169 HydrophobicContact CG-CG2 4.31Å
168A98.7Very high97.4Very high2 Ų246.9 Ų46.92%0.01726%0.264CS..EExtended strand (participates in β ladder)trans-108.7145.1166.100000111.4A37 I38 C173 A176 L180A37-A168 CarbonylContact O-C 3.57Å; A37-A168 WeakPolarHBondContact O-CA 3.34Å; I38-A168 HydrophobicContact CG1-CB 4.15Å; A168-C173 HydrophobicContact CB-CB 4.21Å; A168-A176 HydrophobicContact CB-CB 3.61Å; A168-L180 HydrophobicContact CB-CD1 4.11Å
169I98.3Very high97.6Very high6 Ų646.1 Ų46.13%0.03126%0.258CS..EExtended strand (participates in β ladder)trans-135.9160.8174.562.2167000110.7T36 A37 A139 L141 N154 K167T36-I169 WeakPolarHBondContact CA-O 2.97Å; A37-I169 HydrophobicContact CB-CD1 4.3Å; A37-I169 HydrophobicContact CB-CG1 3.87Å; A37-I169 PolarHBondContact N-O 2.74Å; A37-I169 PolarHBondContact O-N 3.33Å; A139-I169 HydrophobicContact CB-CB 4.15Å; A139-I169 HydrophobicContact CB-CD1 3.89Å; A139-I169 HydrophobicContact CB-CG2 4.05Å; L141-I169 HydrophobicContact CD1-CD1 4.41Å; L141-I169 HydrophobicContact CD1-CG1 4.18Å; L141-I169 HydrophobicContact CD2-CG2 4.11Å; L141-I169 HydrophobicContact CG-CD1 3.94Å; L141-I169 HydrophobicContact CG-CG1 4.17Å; L141-I169 HydrophobicContact CG-CG2 4.35Å; N154-I169 WeakPolarHBondContact OD1-CG2 3.4Å; K167-I169 HydrophobicContact CG-CG2 4.31Å
170G97.2Very high97.8Very high1 Ų146 Ų461%0.0126%0.255CS..SBendtrans95.9-165.9-178.900000114.5S79 A172 C173S79-G170 WeakPolarHBondContact OG-CA 3.21Å; G170-A172 PolarHBondContact O-N 2.77Å; G170-C173 VanDerWaalsContact O-CB 3.26Å; G170-C173 WeakPolarHBondContact O-CB 3.48Å; G170-C173 PolarHBondContact O-N 2.65Å; G170-C173 PolarHBondContact O-SG 3.47Å
171A95.4Very high97.9Very high49 Ų4949.4 Ų49.441%0.40527%0.267SS..THydrogen-bonded Turntrans-57.3-44.1-169.200000115.3K32 G34 R53K32-A171 WeakPolarHBondContact O-CA 3.24Å; K32-A171 WeakPolarHBondContact O-CB 3.22Å; G34-A171 VanDerWaalsContact O-CB 3.3Å; G34-A171 WeakPolarHBondContact O-CB 3.5Å; G34-A171 PolarHBondContact O-N 2.87Å; R53-A171 VanDerWaalsContact NH2-CB 3.25Å
172A94.6Very high97.8Very high19 Ų1954.5 Ų54.516%0.15729%0.291CS..THydrogen-bonded Turntrans-103.527.9-177.800000112.7T36 G170 E174 A176 V204T36-A172 PolarHBondContact OG1-N 2.84Å; G170-A172 PolarHBondContact O-N 2.77Å; A172-E174 VanDerWaalsContact C-N 3.33Å; A172-E174 PolarHBondContact O-N 3.33Å; A172-A176 WeakPolarHBondContact O-CB 3.23Å; A172-A176 PolarHBondContact O-N 3.1Å; A172-V204 HydrophobicContact CB-CB 3.67Å; A172-V204 HydrophobicContact CB-CG1 4.29Å; A172-V204 HydrophobicContact CB-CG2 4.2Å
173C96.2Very high97.8Very high29 Ų2954.2 Ų54.220%0.19629%0.286CS..Hα-helixtrans-64-35.1-174.368.60000113A168 G170 A176 Q177A168-C173 HydrophobicContact CB-CB 4.21Å; G170-C173 VanDerWaalsContact O-CB 3.26Å; G170-C173 WeakPolarHBondContact O-CB 3.48Å; G170-C173 PolarHBondContact O-N 2.65Å; G170-C173 PolarHBondContact O-SG 3.47Å; C173-A176 PolarHBondContact O-N 2.53Å; C173-Q177 WeakPolarHBondContact O-CB 3.49Å; C173-Q177 PolarHBondContact O-N 3.03Å
174E96.8Very high97.8Very high149 Ų14953.1 Ų53.170%0.69628%0.279SS*.Hα-helixtrans-64.4-51.4-178.9-64.6-178.3169.400111.4A172 A176 Q177 Q178A172-E174 VanDerWaalsContact C-N 3.33Å; A172-E174 PolarHBondContact O-N 3.33Å; E174-A176 PolarHBondContact O-N 2.87Å; E174-Q177 PolarHBondContact O-N 3.35Å; E174-Q178 PolarHBondContact O-N 2.86Å
175S97.7Very high97.8Very high68 Ų6856.4 Ų56.448%0.47629%0.292SS..Hα-helixtrans-61.3-44.1176.1-550000111.8Q177 Q178 V179S175-Q177 VanDerWaalsContact C-N 3.34Å; S175-Q177 PolarHBondContact O-N 3.03Å; S175-Q178 PolarHBondContact O-N 3Å; S175-V179 PolarHBondContact O-N 3.19Å
176A98.3Very high97.6Very high0 Ų057.1 Ų57.10%030%0.297CS..Hα-helixtrans-62.8-41.8176.600000111.8I38 A168 A172 C173 E174 Q178 V179 L180 I200 V204I38-A176 HydrophobicContact CD1-CB 4.37Å; A168-A176 HydrophobicContact CB-CB 3.61Å; A172-A176 WeakPolarHBondContact O-CB 3.23Å; A172-A176 PolarHBondContact O-N 3.1Å; C173-A176 PolarHBondContact O-N 2.53Å; E174-A176 PolarHBondContact O-N 2.87Å; A176-Q178 VanDerWaalsContact C-N 3.34Å; A176-Q178 PolarHBondContact O-N 3.13Å; A176-V179 PolarHBondContact O-N 2.82Å; A176-L180 WeakPolarHBondContact O-CG 3.28Å; A176-L180 PolarHBondContact O-N 2.89Å; A176-I200 HydrophobicContact CB-CG2 3.53Å; A176-V204 HydrophobicContact CB-CG1 4.34Å
177Q98.3Very high97.6Very high37 Ų3761.6 Ų61.617%0.17332%0.316CS..Hα-helixtrans-65.7-36.7179.9-17066.356.800111.9C173 E174 S175 L180 Q181C173-Q177 WeakPolarHBondContact O-CB 3.49Å; C173-Q177 PolarHBondContact O-N 3.03Å; E174-Q177 PolarHBondContact O-N 3.35Å; S175-Q177 VanDerWaalsContact C-N 3.34Å; S175-Q177 PolarHBondContact O-N 3.03Å; Q177-L180 PolarHBondContact O-N 3.23Å; Q177-Q181 VanDerWaalsContact O-CG 3.3Å; Q177-Q181 WeakPolarHBondContact O-CG 3.35Å; Q177-Q181 PolarHBondContact O-N 2.98Å
178Q98.5Very high97.5Very high131 Ų13159 Ų5961%0.61230%0.304SS*.Hα-helixtrans-61.2-45.8175.1-174.9179.40.400111.4E174 S175 A176 L180 Q181 E182E174-Q178 PolarHBondContact O-N 2.86Å; S175-Q178 PolarHBondContact O-N 3Å; A176-Q178 VanDerWaalsContact C-N 3.34Å; A176-Q178 PolarHBondContact O-N 3.13Å; Q178-L180 VanDerWaalsContact C-N 3.34Å; Q178-L180 PolarHBondContact O-N 3.05Å; Q178-Q181 PolarHBondContact O-N 3.45Å; Q178-E182 PolarHBondContact O-N 3.13Å
179V98.5Very high97.5Very high21 Ų2161.1 Ų61.113%0.12732%0.317CS..Hα-helixtrans-66.9-37.6178-178.20000111.3S175 A176 E182 K183 L196 I200S175-V179 PolarHBondContact O-N 3.19Å; A176-V179 PolarHBondContact O-N 2.82Å; V179-E182 PolarHBondContact O-N 3.16Å; V179-K183 HydrophobicContact CG1-CD 3.92Å; V179-K183 HydrophobicContact CG1-CG 4.36Å; V179-K183 WeakPolarHBondContact O-CB 3.48Å; V179-K183 PolarHBondContact O-N 3.43Å; V179-L196 HydrophobicContact CG1-CD1 4.47Å; V179-I200 HydrophobicContact CB-CD1 4.37Å; V179-I200 HydrophobicContact CB-CG1 3.99Å; V179-I200 HydrophobicContact CG1-CD1 4.13Å; V179-I200 HydrophobicContact CG1-CG1 3.61Å
180L98.5Very high97.4Very high2 Ų261.8 Ų61.81%0.0132%0.321CS..Hα-helixtrans-60.3-45.3172.6-71.7170.9000111.2I38 I40 A166 A168 A176 Q177 Q178 E182 K183 Y184 L196 I200I38-L180 HydrophobicContact CG2-CD1 3.89Å; I38-L180 HydrophobicContact CG2-CD2 4.21Å; I40-L180 HydrophobicContact CD1-CD2 3.66Å; I40-L180 HydrophobicContact CG1-CD2 4.05Å; A166-L180 HydrophobicContact CB-CD1 4.3Å; A166-L180 HydrophobicContact CB-CD2 4.16Å; A168-L180 HydrophobicContact CB-CD1 4.11Å; A176-L180 WeakPolarHBondContact O-CG 3.28Å; A176-L180 PolarHBondContact O-N 2.89Å; Q177-L180 PolarHBondContact O-N 3.23Å; Q178-L180 VanDerWaalsContact C-N 3.34Å; Q178-L180 PolarHBondContact O-N 3.05Å; L180-E182 VanDerWaalsContact C-N 3.28Å; L180-E182 PolarHBondContact O-N 3.25Å; L180-K183 PolarHBondContact O-N 3.11Å; L180-Y184 WeakPolarHBondContact O-CB 3.13Å; L180-Y184 PolarHBondContact O-N 2.87Å; L180-L196 HydrophobicContact CD2-CD2 4.41Å; L180-I200 HydrophobicContact CD2-CD1 3.51Å; L180-I200 HydrophobicContact CG-CD1 3.79Å
181Q98.2Very high97.4Very high145 Ų14566.6 Ų66.668%0.67834%0.339SS*.Hα-helixtrans-62.7-34.8178.6-75171-7.300112.7Q177 Q178Q177-Q181 VanDerWaalsContact O-CG 3.3Å; Q177-Q181 WeakPolarHBondContact O-CG 3.35Å; Q177-Q181 PolarHBondContact O-N 2.98Å; Q178-Q181 PolarHBondContact O-N 3.45Å
182E98Very high97.5Very high151 Ų15168.7 Ų68.771%0.70634%0.34SS*.Hα-helixtrans-75.4-41.1178.7-174.2-176.6173.800112.7Q178 V179 L180Q178-E182 PolarHBondContact O-N 3.13Å; V179-E182 PolarHBondContact O-N 3.16Å; L180-E182 VanDerWaalsContact C-N 3.28Å; L180-E182 PolarHBondContact O-N 3.25Å
183K97.9Very high97.7Very high90 Ų9067.8 Ų67.839%0.39133%0.333SS..Hα-helixtrans-104-18.3-167.7-64.7-170.9176-177.10115V179 L180 L196V179-K183 HydrophobicContact CG1-CD 3.92Å; V179-K183 HydrophobicContact CG1-CG 4.36Å; V179-K183 WeakPolarHBondContact O-CB 3.48Å; V179-K183 PolarHBondContact O-N 3.43Å; L180-K183 PolarHBondContact O-N 3.11Å; K183-L196 HydrophobicContact CB-CD1 3.75Å; K183-L196 HydrophobicContact CB-CD2 4.11Å; K183-L196 HydrophobicContact CD-CD1 3.54Å; K183-L196 HydrophobicContact CG-CD1 4.26Å
184Y98.2Very high97.9Very high58 Ų5866.9 Ų66.923%0.22733%0.326CS..  trans-71.7141.2179.5178.9-94.8000111.6I40 Q41 S165 A166 L180 I188I40-Y184 HydrophobicContact CG2-CD2 4Å; I40-Y184 HydrophobicContact CG2-CE2 3.83Å; Q41-Y184 WeakPolarHBondContact O-CE2 2.95Å; Q41-Y184 PolarHBondContact O-OH 3.44Å; Q41-Y184 VanDerWaalsContact O-OH 3.11Å; S165-Y184 WeakPolarHBondContact CB-OH 3.31Å; A166-Y184 HydrophobicContact CB-CD2 4.03Å; A166-Y184 HydrophobicContact CB-CE2 4.43Å; A166-Y184 HydrophobicContact CB-CG 4.34Å; L180-Y184 WeakPolarHBondContact O-CB 3.13Å; L180-Y184 PolarHBondContact O-N 2.87Å; Y184-I188 HydrophobicContact CD2-CG2 4.17Å; Y184-I188 HydrophobicContact CE2-CG2 3.82Å
185H97.9Very high97.9Very high89 Ų8962.1 Ų62.141%0.41231%0.305SS..  trans-147.2157.9166.758.688.4000110.5E187 I188H185-E187 PolarHBondContact ND1-N 2.89Å; H185-E187 PolarHBondContact O-N 3.45Å; H185-E187 VanDerWaalsContact O-N 3.1Å; H185-I188 VanDerWaalsContact CE1-CA 3.49Å; H185-I188 WeakPolarHBondContact CE1-CA 3.49Å; H185-I188 PolarHBondContact CE1-N 2.96Å; H185-I188 VanDerWaalsContact CE1-N 3.28Å; H185-I188 PolarHBondContact ND1-N 3.28Å; H185-I188 WeakPolarHBondContact O-CB 3.29Å; H185-I188 VanDerWaalsContact O-CG2 3.26Å; H185-I188 WeakPolarHBondContact O-CG2 3.43Å; H185-I188 PolarHBondContact O-N 3.25Å; H185-I188 VanDerWaalsContact O-N 3.09Å
186S95.7Very high98Very high74 Ų7459.6 Ų59.652%0.51729%0.286SS..THydrogen-bonded Turntrans-62.8-20.2-174.360.90000115
187E97.4Very high98Very high109 Ų10959.6 Ų59.651%0.50929%0.286SS..THydrogen-bonded Turntrans-966.1-179.9-54.5-52124.800113.6K43 H185 T189K43-E187 VanDerWaalsContact CE-OE1 3.27Å; K43-E187 WeakPolarHBondContact CE-OE1 3.48Å; K43-E187 WeakPolarHBondContact CE-OE2 3.37Å; K43-E187 IonicContact NZ-OE1 2.79Å; K43-E187 PolarHBondContact NZ-OE1 3.28Å; K43-E187 IonicContact NZ-OE2 3.51Å; K43-E187 PolarHBondContact NZ-OE2 3.06Å; H185-E187 PolarHBondContact ND1-N 2.89Å; H185-E187 PolarHBondContact O-N 3.45Å; H185-E187 VanDerWaalsContact O-N 3.1Å; E187-T189 PolarHBondContact O-N 3.38Å
188I98.2Very high98Very high8 Ų857.9 Ų57.94%0.04128%0.278CS..  trans-61.7131.1-179.1-164.1172.7000109.8T42 Y184 H185 E192 A193 L196T42-I188 WeakPolarHBondContact CB-O 3.48Å; T42-I188 HydrophobicContact CG2-CG2 3.94Å; Y184-I188 HydrophobicContact CD2-CG2 4.17Å; Y184-I188 HydrophobicContact CE2-CG2 3.82Å; H185-I188 VanDerWaalsContact CE1-CA 3.49Å; H185-I188 WeakPolarHBondContact CE1-CA 3.49Å; H185-I188 PolarHBondContact CE1-N 2.96Å; H185-I188 VanDerWaalsContact CE1-N 3.28Å; H185-I188 PolarHBondContact ND1-N 3.28Å; H185-I188 WeakPolarHBondContact O-CB 3.29Å; H185-I188 VanDerWaalsContact O-CG2 3.26Å; H185-I188 WeakPolarHBondContact O-CG2 3.43Å; H185-I188 PolarHBondContact O-N 3.25Å; H185-I188 VanDerWaalsContact O-N 3.09Å; I188-E192 HydrophobicContact CD1-CB 4.12Å; I188-E192 HydrophobicContact CG1-CB 3.52Å; I188-A193 HydrophobicContact CD1-CB 4.25Å; I188-L196 HydrophobicContact CD1-CD2 3.91Å
189T97.9Very high97.9Very high47 Ų4754 Ų5429%0.28826%0.263SS..  trans-75.1160.7174.661.80000110.4E187 R191 E192 A193E187-T189 PolarHBondContact O-N 3.38Å; T189-R191 PolarHBondContact O-N 3.43Å; T189-E192 WeakPolarHBondContact CB-OE2 3.44Å; T189-E192 PolarHBondContact N-OE2 2.65Å; T189-E192 PolarHBondContact O-N 2.61Å; T189-E192 WeakPolarHBondContact OG1-CB 3.41Å; T189-E192 VanDerWaalsContact OG1-CD 3.23Å; T189-E192 WeakPolarHBondContact OG1-CG 3.28Å; T189-E192 PolarHBondContact OG1-N 2.79Å; T189-E192 VanDerWaalsContact OG1-N 3.14Å; T189-E192 PolarHBondContact OG1-OE2 2.78Å; T189-A193 WeakPolarHBondContact O-CB 3.45Å; T189-A193 PolarHBondContact O-N 3.16Å
190L96.9Very high97.9Very high21 Ų2153 Ų5311%0.1126%0.257CS..Hα-helixtrans-59.9-37.2175.1-174.366.9000111.4T42 E44 L47 A193 Q194 V218T42-L190 HydrophobicContact CG2-CD1 4.5Å; E44-L190 HydrophobicContact CB-CB 4.13Å; E44-L190 WeakPolarHBondContact OE2-CB 3.42Å; E44-L190 PolarHBondContact OE2-N 3.38Å; L47-L190 HydrophobicContact CB-CD1 4.24Å; L190-A193 PolarHBondContact O-N 2.76Å; L190-Q194 WeakPolarHBondContact O-CG 3.24Å; L190-Q194 PolarHBondContact O-N 3.08Å; L190-V218 HydrophobicContact CD1-CG1 4.3Å; L190-V218 HydrophobicContact CD1-CG2 4.29Å; L190-V218 HydrophobicContact CD2-CB 4.47Å; L190-V218 HydrophobicContact CD2-CG1 3.45Å; L190-V218 VanDerWaalsContact CD2-CG1 3.45Å; L190-V218 HydrophobicContact CD2-CG2 4.17Å; L190-V218 HydrophobicContact CG-CG1 4.39Å; L190-V218 HydrophobicContact CG-CG2 4.42Å
191R97Very high97.9Very high102 Ų10252.9 Ų52.939%0.38526%0.256SS..Hα-helixtrans-66.7-42.7177.7-177.257.6176.6-165.81.5112.3T189 A193 Q194 L195T189-R191 PolarHBondContact O-N 3.43Å; R191-A193 VanDerWaalsContact C-N 3.31Å; R191-Q194 WeakPolarHBondContact O-CB 3.44Å; R191-Q194 PolarHBondContact O-N 3.33Å; R191-L195 WeakPolarHBondContact O-CG 3.4Å; R191-L195 PolarHBondContact O-N 2.87Å; R191-L195 VanDerWaalsContact O-N 3.09Å
192E98Very high97.8Very high92 Ų9250.3 Ų50.343%0.4324%0.243SC..Hα-helixtrans-63.7-39.3174.5-73.3163.3153.100111.2I188 T189 L195 L196I188-E192 HydrophobicContact CD1-CB 4.12Å; I188-E192 HydrophobicContact CG1-CB 3.52Å; T189-E192 WeakPolarHBondContact CB-OE2 3.44Å; T189-E192 PolarHBondContact N-OE2 2.65Å; T189-E192 PolarHBondContact O-N 2.61Å; T189-E192 WeakPolarHBondContact OG1-CB 3.41Å; T189-E192 VanDerWaalsContact OG1-CD 3.23Å; T189-E192 WeakPolarHBondContact OG1-CG 3.28Å; T189-E192 PolarHBondContact OG1-N 2.79Å; T189-E192 VanDerWaalsContact OG1-N 3.14Å; T189-E192 PolarHBondContact OG1-OE2 2.78Å; E192-L195 PolarHBondContact O-N 3.11Å; E192-L196 VanDerWaalsContact O-CB 3.28Å; E192-L196 WeakPolarHBondContact O-CB 3.11Å; E192-L196 PolarHBondContact O-N 2.87Å
193A98.6Very high97.7Very high0 Ų048.6 Ų48.60%024%0.235CC..Hα-helixtrans-62.8-41.5174.700000112.3I40 T42 L47 I188 T189 L190 R191 L196 T197I40-A193 HydrophobicContact CB-CB 4.25Å; I40-A193 HydrophobicContact CD1-CB 4.26Å; I40-A193 HydrophobicContact CG2-CB 3.89Å; T42-A193 HydrophobicContact CG2-CB 3.81Å; L47-A193 VanDerWaalsContact CD2-C 3.48Å; L47-A193 HydrophobicContact CD2-CB 4.06Å; L47-A193 WeakPolarHBondContact CD2-O 3.43Å; I188-A193 HydrophobicContact CD1-CB 4.25Å; T189-A193 WeakPolarHBondContact O-CB 3.45Å; T189-A193 PolarHBondContact O-N 3.16Å; L190-A193 PolarHBondContact O-N 2.76Å; R191-A193 VanDerWaalsContact C-N 3.31Å; A193-L196 PolarHBondContact O-N 3.2Å; A193-T197 WeakPolarHBondContact O-CG2 3.45Å; A193-T197 PolarHBondContact O-N 3.22Å; A193-T197 PolarHBondContact O-OG1 2.74Å
194Q98.6Very high97.6Very high11 Ų1145.7 Ų45.75%0.05123%0.225CC..Hα-helixtrans-58-48.5173.1-71.2173.5-31.100111.1L47 L190 R191 T197 I198 M216 L236L47-Q194 HydrophobicContact CD1-CG 3.96Å; L47-Q194 HydrophobicContact CD2-CB 4.44Å; L47-Q194 HydrophobicContact CD2-CG 4.11Å; L190-Q194 WeakPolarHBondContact O-CG 3.24Å; L190-Q194 PolarHBondContact O-N 3.08Å; R191-Q194 WeakPolarHBondContact O-CB 3.44Å; R191-Q194 PolarHBondContact O-N 3.33Å; Q194-T197 PolarHBondContact O-N 2.92Å; Q194-T197 PolarHBondContact O-OG1 3.29Å; Q194-I198 WeakPolarHBondContact O-CG1 3.49Å; Q194-I198 PolarHBondContact O-N 3.17Å; Q194-I198 VanDerWaalsContact O-N 3.14Å; Q194-M216 HydrophobicContact CB-SD 4.17Å; Q194-M216 HydrophobicContact CG-SD 3.85Å; Q194-L236 HydrophobicContact CB-CD1 4.11Å; Q194-L236 HydrophobicContact CB-CD2 3.76Å; Q194-L236 HydrophobicContact CG-CD1 4.37Å
195L98.3Very high97.5Very high48 Ų4843.9 Ų43.925%0.25122%0.218SC..Hα-helixtrans-67.6-38.7179.8-66.5173.5000112.7R191 E192 I198 T199 L236 V239R191-L195 WeakPolarHBondContact O-CG 3.4Å; R191-L195 PolarHBondContact O-N 2.87Å; R191-L195 VanDerWaalsContact O-N 3.09Å; E192-L195 PolarHBondContact O-N 3.11Å; L195-I198 PolarHBondContact O-N 3.22Å; L195-T199 WeakPolarHBondContact O-CB 3.44Å; L195-T199 PolarHBondContact O-N 2.93Å; L195-T199 PolarHBondContact O-OG1 2.99Å; L195-L236 HydrophobicContact CD2-CD2 3.74Å; L195-L236 HydrophobicContact CG-CD2 4.25Å; L195-V239 HydrophobicContact CD2-CB 3.82Å; L195-V239 HydrophobicContact CD2-CG1 3.91Å; L195-V239 HydrophobicContact CD2-CG2 4.14Å
196L98.4Very high97.1Very high15 Ų1549 Ų498%0.07924%0.243CC..Hα-helixtrans-61.4-47.6176.5175.257.5000111I40 V179 L180 K183 I188 E192 A193 I198 T199 I200I40-L196 HydrophobicContact CD1-CD2 4.04Å; I40-L196 HydrophobicContact CD1-CG 4.42Å; V179-L196 HydrophobicContact CG1-CD1 4.47Å; L180-L196 HydrophobicContact CD2-CD2 4.41Å; K183-L196 HydrophobicContact CB-CD1 3.75Å; K183-L196 HydrophobicContact CB-CD2 4.11Å; K183-L196 HydrophobicContact CD-CD1 3.54Å; K183-L196 HydrophobicContact CG-CD1 4.26Å; I188-L196 HydrophobicContact CD1-CD2 3.91Å; E192-L196 VanDerWaalsContact O-CB 3.28Å; E192-L196 WeakPolarHBondContact O-CB 3.11Å; E192-L196 PolarHBondContact O-N 2.87Å; A193-L196 PolarHBondContact O-N 3.2Å; L196-I198 PolarHBondContact O-N 3.23Å; L196-T199 WeakPolarHBondContact O-CB 3.48Å; L196-T199 PolarHBondContact O-N 3.48Å; L196-T199 VanDerWaalsContact O-N 3.15Å; L196-I200 HydrophobicContact CD1-CD1 3.95Å; L196-I200 HydrophobicContact CD1-CG1 4.22Å; L196-I200 HydrophobicContact CG-CD1 3.93Å; L196-I200 WeakPolarHBondContact O-CG1 3.44Å; L196-I200 PolarHBondContact O-N 3.33Å
197T98.3Very high96.9Very high0 Ų050.6 Ų50.60%024%0.242CC..Hα-helixtrans-64.5-39.9179.552.30000112.6I38 I40 L47 V49 A193 Q194 T199 I200 L201I38-T197 HydrophobicContact CB-CG2 4.44Å; I38-T197 HydrophobicContact CG2-CG2 3.91Å; I40-T197 HydrophobicContact CD1-CG2 3.48Å; I40-T197 VanDerWaalsContact CD1-CG2 3.48Å; I40-T197 HydrophobicContact CG1-CG2 3.92Å; L47-T197 HydrophobicContact CD2-CG2 3.77Å; V49-T197 HydrophobicContact CG1-CG2 3.93Å; A193-T197 WeakPolarHBondContact O-CG2 3.45Å; A193-T197 PolarHBondContact O-N 3.22Å; A193-T197 PolarHBondContact O-OG1 2.74Å; Q194-T197 PolarHBondContact O-N 2.92Å; Q194-T197 PolarHBondContact O-OG1 3.29Å; T197-T199 VanDerWaalsContact C-N 3.32Å; T197-T199 PolarHBondContact O-N 3.25Å; T197-I200 PolarHBondContact O-N 3.09Å; T197-L201 WeakPolarHBondContact O-CG 3.3Å; T197-L201 PolarHBondContact O-N 3.33Å
198I98.2Very high96.8Very high1 Ų154.1 Ų54.11%0.00526%0.256CS..Hα-helixtrans-60.6-42.4171.6-65.9-59.3000111.3Q194 L195 L196 I200 L201 K202 I214 M216 L233 L236 I237Q194-I198 WeakPolarHBondContact O-CG1 3.49Å; Q194-I198 PolarHBondContact O-N 3.17Å; Q194-I198 VanDerWaalsContact O-N 3.14Å; L195-I198 PolarHBondContact O-N 3.22Å; L196-I198 PolarHBondContact O-N 3.23Å; I198-I200 VanDerWaalsContact C-N 3.34Å; I198-I200 PolarHBondContact O-N 3.26Å; I198-L201 PolarHBondContact O-N 3.08Å; I198-K202 HydrophobicContact CG2-CD 4.12Å; I198-K202 HydrophobicContact CG2-CG 4.41Å; I198-K202 WeakPolarHBondContact O-CB 3.08Å; I198-K202 VanDerWaalsContact O-CG 3.32Å; I198-K202 WeakPolarHBondContact O-CG 3.12Å; I198-K202 PolarHBondContact O-N 3.44Å; I198-I214 HydrophobicContact CD1-CD1 3.32Å; I198-M216 HydrophobicContact CD1-CE 3.71Å; I198-M216 HydrophobicContact CG1-CE 3.91Å; I198-L233 HydrophobicContact CD1-CD1 4.36Å; I198-L236 HydrophobicContact CG1-CB 4.34Å; I198-I237 HydrophobicContact CD1-CG1 4.19Å; I198-I237 HydrophobicContact CG2-CG1 4.49Å
199T97.6Very high96.7Very high49 Ų4954 Ų5430%0.30126%0.255SS..Hα-helixtrans-61.1-44.2177.4-590000111.3L195 L196 T197 K202 Q203L195-T199 WeakPolarHBondContact O-CB 3.44Å; L195-T199 PolarHBondContact O-N 2.93Å; L195-T199 PolarHBondContact O-OG1 2.99Å; L196-T199 WeakPolarHBondContact O-CB 3.48Å; L196-T199 PolarHBondContact O-N 3.48Å; L196-T199 VanDerWaalsContact O-N 3.15Å; T197-T199 VanDerWaalsContact C-N 3.32Å; T197-T199 PolarHBondContact O-N 3.25Å; T199-K202 PolarHBondContact O-N 3.24Å; T199-Q203 WeakPolarHBondContact O-CG 3.41Å; T199-Q203 PolarHBondContact O-N 3.23Å
200I98.4Very high96.5Very high0 Ų054.1 Ų54.10%026%0.256CS..Hα-helixtrans-63.8-46.5177.4-66.5163.9000110.4I38 A176 V179 L180 L196 T197 I198 K202 Q203 V204I38-I200 HydrophobicContact CD1-CB 4.01Å; I38-I200 HydrophobicContact CD1-CG2 3.52Å; A176-I200 HydrophobicContact CB-CG2 3.53Å; V179-I200 HydrophobicContact CB-CD1 4.37Å; V179-I200 HydrophobicContact CB-CG1 3.99Å; V179-I200 HydrophobicContact CG1-CD1 4.13Å; V179-I200 HydrophobicContact CG1-CG1 3.61Å; L180-I200 HydrophobicContact CD2-CD1 3.51Å; L180-I200 HydrophobicContact CG-CD1 3.79Å; L196-I200 HydrophobicContact CD1-CD1 3.95Å; L196-I200 HydrophobicContact CD1-CG1 4.22Å; L196-I200 HydrophobicContact CG-CD1 3.93Å; L196-I200 WeakPolarHBondContact O-CG1 3.44Å; L196-I200 PolarHBondContact O-N 3.33Å; T197-I200 PolarHBondContact O-N 3.09Å; I198-I200 VanDerWaalsContact C-N 3.34Å; I198-I200 PolarHBondContact O-N 3.26Å; I200-K202 VanDerWaalsContact C-N 3.32Å; I200-K202 PolarHBondContact O-N 2.91Å; I200-Q203 WeakPolarHBondContact O-CB 3.39Å; I200-Q203 PolarHBondContact O-N 3.12Å; I200-V204 HydrophobicContact CG2-CG1 4.3Å; I200-V204 HydrophobicContact CG2-CG2 4.39Å; I200-V204 VanDerWaalsContact O-CG2 3.23Å; I200-V204 WeakPolarHBondContact O-CG2 3.45Å; I200-V204 PolarHBondContact O-N 3.23Å
201L97.9Very high96.4Very high0 Ų054 Ų540%026%0.256CS..Hα-helixtrans-60.9-40.6177.7-72.2-175.3000112.1T36 I38 V49 T197 I198 Q203 V204 M205 V209 I214T36-L201 HydrophobicContact CG2-CD2 4.47Å; I38-L201 HydrophobicContact CD1-CD2 4.07Å; I38-L201 HydrophobicContact CD1-CG 4.35Å; V49-L201 HydrophobicContact CB-CD1 4.32Å; V49-L201 HydrophobicContact CG1-CD1 3.87Å; V49-L201 HydrophobicContact CG1-CG 4.35Å; V49-L201 HydrophobicContact CG2-CD1 3.49Å; V49-L201 VanDerWaalsContact CG2-CD1 3.49Å; T197-L201 WeakPolarHBondContact O-CG 3.3Å; T197-L201 PolarHBondContact O-N 3.33Å; I198-L201 PolarHBondContact O-N 3.08Å; L201-Q203 PolarHBondContact O-N 3.24Å; L201-V204 HydrophobicContact CD2-CG2 4.29Å; L201-V204 PolarHBondContact O-N 3.01Å; L201-M205 HydrophobicContact CB-CG 4.4Å; L201-M205 HydrophobicContact CB-SD 3.81Å; L201-M205 HydrophobicContact CD1-SD 4.37Å; L201-M205 HydrophobicContact CD2-CG 4.34Å; L201-M205 HydrophobicContact CD2-SD 4.12Å; L201-M205 HydrophobicContact CG-SD 4.32Å; L201-M205 VanDerWaalsContact O-CB 3.22Å; L201-M205 WeakPolarHBondContact O-CB 3.39Å; L201-M205 VanDerWaalsContact O-CG 3.3Å; L201-M205 WeakPolarHBondContact O-CG 3.33Å; L201-M205 PolarHBondContact O-N 2.85Å; L201-V209 HydrophobicContact CB-CG2 4.12Å; L201-I214 HydrophobicContact CD1-CB 4.34Å; L201-I214 HydrophobicContact CD1-CD1 4.49Å; L201-I214 HydrophobicContact CD1-CG2 3.93Å
202K96.7Very high96.2Very high92 Ų9252.1 Ų52.140%0.426%0.256SS..Hα-helixtrans-59.7-27.7173.3-75.1174.2178.1177.10112.9I198 T199 I200 V209 I237 V239I198-K202 HydrophobicContact CG2-CD 4.12Å; I198-K202 HydrophobicContact CG2-CG 4.41Å; I198-K202 WeakPolarHBondContact O-CB 3.08Å; I198-K202 VanDerWaalsContact O-CG 3.32Å; I198-K202 WeakPolarHBondContact O-CG 3.12Å; I198-K202 PolarHBondContact O-N 3.44Å; T199-K202 PolarHBondContact O-N 3.24Å; I200-K202 VanDerWaalsContact C-N 3.32Å; I200-K202 PolarHBondContact O-N 2.91Å; K202-V209 HydrophobicContact CB-CG2 4.29Å; K202-V209 HydrophobicContact CG-CB 4.02Å; K202-V209 HydrophobicContact CG-CG2 3.74Å; K202-I237 WeakPolarHBondContact CE-O 3.47Å; K202-I237 PolarHBondContact NZ-O 2.92Å; K202-V239 PolarHBondContact NZ-OXT 3.15Å
203Q96.3Very high96Very high115 Ų11548 Ų4854%0.53724%0.238SC..Hα-helixtrans-86.4-33.3179.5-70.9174.5-2200113.2T199 I200 L201T199-Q203 WeakPolarHBondContact O-CG 3.41Å; T199-Q203 PolarHBondContact O-N 3.23Å; I200-Q203 WeakPolarHBondContact O-CB 3.39Å; I200-Q203 PolarHBondContact O-N 3.12Å; L201-Q203 PolarHBondContact O-N 3.24Å
204V95.8Very high96Very high28 Ų2848.1 Ų48.117%0.1724%0.238CC..Hα-helixtrans-105-19.8-169.9-59.20000114.6T36 A172 A176 I200 L201T36-V204 HydrophobicContact CG2-CG2 4.3Å; A172-V204 HydrophobicContact CB-CB 3.67Å; A172-V204 HydrophobicContact CB-CG1 4.29Å; A172-V204 HydrophobicContact CB-CG2 4.2Å; A176-V204 HydrophobicContact CB-CG1 4.34Å; I200-V204 HydrophobicContact CG2-CG1 4.3Å; I200-V204 HydrophobicContact CG2-CG2 4.39Å; I200-V204 VanDerWaalsContact O-CG2 3.23Å; I200-V204 WeakPolarHBondContact O-CG2 3.45Å; I200-V204 PolarHBondContact O-N 3.23Å; L201-V204 HydrophobicContact CD2-CG2 4.29Å; L201-V204 PolarHBondContact O-N 3.01Å
205M94.9Very high95.9Very high20 Ų2048.3 Ų48.310%0.09924%0.239CC..  trans-78.4139.8176.2-70.7175.649.500110.8E51 L201 V209 I214E51-M205 HydrophobicContact CB-CG 4.3Å; E51-M205 HydrophobicContact CB-SD 4.06Å; E51-M205 HydrophobicContact CG-CE 4Å; E51-M205 HydrophobicContact CG-CG 3.99Å; E51-M205 HydrophobicContact CG-SD 3.99Å; L201-M205 HydrophobicContact CB-CG 4.4Å; L201-M205 HydrophobicContact CB-SD 3.81Å; L201-M205 HydrophobicContact CD1-SD 4.37Å; L201-M205 HydrophobicContact CD2-CG 4.34Å; L201-M205 HydrophobicContact CD2-SD 4.12Å; L201-M205 HydrophobicContact CG-SD 4.32Å; L201-M205 VanDerWaalsContact O-CB 3.22Å; L201-M205 WeakPolarHBondContact O-CB 3.39Å; L201-M205 VanDerWaalsContact O-CG 3.3Å; L201-M205 WeakPolarHBondContact O-CG 3.33Å; L201-M205 PolarHBondContact O-N 2.85Å; M205-V209 HydrophobicContact CE-CG2 4.13Å; M205-V209 HydrophobicContact SD-CG2 3.77Å; M205-I214 HydrophobicContact CE-CG2 3.91Å; M205-I214 HydrophobicContact SD-CG2 3.71Å
206E90.6Very high95.9Very high197 Ų19746.1 Ų46.192%0.92123%0.227SC*.SBendtrans-69.8-37.3175.3-62.6179-176.800111.6
207E91.5Very high95.9Very high108 Ų10845.4 Ų45.451%0.50522%0.224SC..SBendtrans-90.7153.2176.8-64.2-176.317700111.9V209E207-V209 PolarHBondContact O-N 3.39Å
208K94.1Very high95.9Very high183 Ų18345.9 Ų45.980%0.79623%0.227SC*.PPolyproline II helixtrans-58.9130.2171.3-176.3177.6177.9-179.20109.8T210 N213K208-T210 PolarHBondContact O-N 2.79Å; K208-N213 PolarHBondContact O-ND2 3.27Å
209V95.9Very high96Very high6 Ų645.8 Ų45.84%0.03623%0.226CC..PPolyproline II helixtrans-61.3128.6175.2178.40000110.8L201 K202 M205 E207 I214 I237L201-V209 HydrophobicContact CB-CG2 4.12Å; K202-V209 HydrophobicContact CB-CG2 4.29Å; K202-V209 HydrophobicContact CG-CB 4.02Å; K202-V209 HydrophobicContact CG-CG2 3.74Å; M205-V209 HydrophobicContact CE-CG2 4.13Å; M205-V209 HydrophobicContact SD-CG2 3.77Å; E207-V209 PolarHBondContact O-N 3.39Å; V209-I214 HydrophobicContact CG1-CD1 3.73Å; V209-I214 HydrophobicContact CG1-CG1 4.48Å; V209-I214 HydrophobicContact CG1-CG2 3.97Å; V209-I237 HydrophobicContact CG1-CD1 4Å; V209-I237 HydrophobicContact CG1-CG1 3.94Å; V209-I237 HydrophobicContact CG1-CG2 4.39Å
210T95.1Very high96Very high49 Ų4944.7 Ų44.730%0.30122%0.218SC..  trans-138.7163.1177.462.90000109.7K208 T212 N213 I214 I237K208-T210 PolarHBondContact O-N 2.79Å; T210-T212 PolarHBondContact O-N 3.13Å; T210-T212 VanDerWaalsContact O-N 3.1Å; T210-T212 PolarHBondContact OG1-OG1 2.63Å; T210-T212 VanDerWaalsContact OG1-OG1 3.04Å; T210-N213 PolarHBondContact N-OD1 3.47Å; T210-N213 PolarHBondContact O-N 3.18Å; T210-N213 PolarHBondContact O-OD1 3.26Å; T210-N213 PolarHBondContact OG1-N 2.89Å; T210-N213 PolarHBondContact OG1-OD1 2.92Å; T210-I214 PolarHBondContact O-N 3.39Å; T210-I237 VanDerWaalsContact C-CD1 3.41Å
211S93.9Very high95.8Very high17 Ų1753.8 Ų53.812%0.11926%0.258CS..THydrogen-bonded Turntrans-68-7177.157.40000113.9K230 E234S211-K230 WeakPolarHBondContact OG-CE 3.17Å; S211-K230 WeakPolarHBondContact OG-CG 3.39Å; S211-E234 VanDerWaalsContact OG-CG 3.26Å; S211-E234 WeakPolarHBondContact OG-CG 3.16Å; S211-E234 PolarHBondContact OG-OE1 3.07Å
212T93.1Very high95.7Very high63 Ų6362.4 Ų62.439%0.38730%0.296SS..THydrogen-bonded Turntrans-100-22.5178.3520000113.8K52 T210K52-T212 VanDerWaalsContact CE-O 3.24Å; K52-T212 WeakPolarHBondContact CE-O 3.47Å; T210-T212 PolarHBondContact O-N 3.13Å; T210-T212 VanDerWaalsContact O-N 3.1Å; T210-T212 PolarHBondContact OG1-OG1 2.63Å; T210-T212 VanDerWaalsContact OG1-OG1 3.04Å
213N94.9Very high95.7Very high6 Ų662.2 Ų62.23%0.03230%0.299CS..THydrogen-bonded Turntrans-108.410.4-178.770.8-2.8000113.6K52 K208 T210K52-N213 PolarHBondContact N-O 3.07Å; K208-N213 PolarHBondContact O-ND2 3.27Å; T210-N213 PolarHBondContact N-OD1 3.47Å; T210-N213 PolarHBondContact O-N 3.18Å; T210-N213 PolarHBondContact O-OD1 3.26Å; T210-N213 PolarHBondContact OG1-N 2.89Å; T210-N213 PolarHBondContact OG1-OD1 2.92Å
214I96.7Very high95.8Very high2 Ų257.4 Ų57.41%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-134.2159.3167.274.7177.1000110.6C50 I198 L201 M205 V209 T210 L233 I237C50-I214 CarbonylContact O-C 3.6Å; C50-I214 WeakPolarHBondContact O-CA 3.32Å; I198-I214 HydrophobicContact CD1-CD1 3.32Å; L201-I214 HydrophobicContact CD1-CB 4.34Å; L201-I214 HydrophobicContact CD1-CD1 4.49Å; L201-I214 HydrophobicContact CD1-CG2 3.93Å; M205-I214 HydrophobicContact CE-CG2 3.91Å; M205-I214 HydrophobicContact SD-CG2 3.71Å; V209-I214 HydrophobicContact CG1-CD1 3.73Å; V209-I214 HydrophobicContact CG1-CG1 4.48Å; V209-I214 HydrophobicContact CG1-CG2 3.97Å; T210-I214 PolarHBondContact O-N 3.39Å; I214-L233 HydrophobicContact CD1-CD1 3.67Å; I214-L233 HydrophobicContact CD1-CD2 4.23Å; I214-L233 HydrophobicContact CD1-CG 4.09Å; I214-L233 HydrophobicContact CG1-CD1 4.03Å; I214-L233 HydrophobicContact CG1-CD2 3.68Å; I214-L233 HydrophobicContact CG1-CG 4.1Å; I214-I237 HydrophobicContact CD1-CD1 3.99Å; I214-I237 HydrophobicContact CD1-CG1 4.26Å
215E97.3Very high95.9Very high16 Ų1657.4 Ų57.48%0.07528%0.277CS..EExtended strand (participates in β ladder)trans-127.6147.2166.5-71.2-179.516500109.3V49 C50 K52 K66 I67V49-E215 CarbonylContact C-O 3.49Å; V49-E215 VanDerWaalsContact CA-O 3.24Å; V49-E215 WeakPolarHBondContact CA-O 3.35Å; V49-E215 WeakPolarHBondContact CG2-O 3.08Å; C50-E215 PolarHBondContact N-O 3.47Å; C50-E215 PolarHBondContact O-N 3Å; K52-E215 HydrophobicContact CD-CG 3.68Å; K52-E215 WeakPolarHBondContact CD-OE1 3.35Å; K52-E215 HydrophobicContact CG-CG 4.18Å; K52-E215 IonicContact NZ-OE1 3.54Å; K52-E215 PolarHBondContact NZ-OE1 2.99Å; K66-E215 PolarHBondContact N-OE2 2.78Å; I67-E215 HydrophobicContact CD1-CB 3.86Å; I67-E215 WeakPolarHBondContact CD1-O 3.39Å; I67-E215 HydrophobicContact CG1-CB 4Å; I67-E215 PolarHBondContact N-OE2 2.88Å
216M98.5Very high96.1Very high1 Ų159.1 Ų59.11%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-137.3132.8177.4-173.1175.1-77.200109.4L47 L48 V49 Q194 I198 L227 L228 L233 L236L47-M216 HydrophobicContact CD1-CE 4.45Å; L47-M216 HydrophobicContact CD1-CG 3.43Å; L47-M216 VanDerWaalsContact CD1-CG 3.43Å; L47-M216 HydrophobicContact CD1-SD 3.72Å; L48-M216 CarbonylContact O-C 3.56Å; L48-M216 VanDerWaalsContact O-CA 3.29Å; L48-M216 WeakPolarHBondContact O-CA 3.33Å; V49-M216 HydrophobicContact CB-CE 4.15Å; V49-M216 HydrophobicContact CG2-CB 4.15Å; V49-M216 HydrophobicContact CG2-CE 3.73Å; V49-M216 HydrophobicContact CG2-CG 4.41Å; Q194-M216 HydrophobicContact CB-SD 4.17Å; Q194-M216 HydrophobicContact CG-SD 3.85Å; I198-M216 HydrophobicContact CD1-CE 3.71Å; I198-M216 HydrophobicContact CG1-CE 3.91Å; M216-L227 WeakPolarHBondContact O-CD1 3.43Å; M216-L228 HydrophobicContact CB-CB 4.47Å; M216-L228 HydrophobicContact CB-CD2 4.27Å; M216-L228 HydrophobicContact CG-CD1 4.42Å; M216-L228 HydrophobicContact CG-CD2 4Å; M216-L228 WeakPolarHBondContact O-CB 3.46Å; M216-L228 PolarHBondContact O-N 3.27Å; M216-L228 HydrophobicContact SD-CD2 3.68Å; M216-L233 HydrophobicContact CB-CD1 3.9Å; M216-L233 HydrophobicContact CE-CD1 4.48Å; M216-L233 HydrophobicContact SD-CD1 4.46Å; M216-L236 HydrophobicContact SD-CD1 3.78Å
217S98.6Very high96.4Very high0 Ų053.3 Ų53.30%026%0.263CS..EExtended strand (participates in β ladder)trans-126.2145169.473.50000111.3L47 L48 I67 V226L47-S217 WeakPolarHBondContact CA-O 3.49Å; L47-S217 WeakPolarHBondContact CD1-O 3.26Å; L48-S217 PolarHBondContact N-O 3.04Å; L48-S217 PolarHBondContact O-N 3.41Å; I67-S217 VanDerWaalsContact CG2-OG 3.31Å; I67-S217 WeakPolarHBondContact CG2-OG 3.34Å; S217-V226 CarbonylContact C-O 3.54Å; S217-V226 VanDerWaalsContact CA-O 3.22Å; S217-V226 WeakPolarHBondContact CA-O 3.17Å; S217-V226 WeakPolarHBondContact CB-O 3.48Å
218V98.7Very high96.7Very high10 Ų1048.9 Ų48.96%0.06124%0.243CC..EExtended strand (participates in β ladder)trans-114.5136.5173.3164.40000107.5L47 L190 N220 V226 L228L47-V218 HydrophobicContact CD1-CG2 3.78Å; L190-V218 HydrophobicContact CD1-CG1 4.3Å; L190-V218 HydrophobicContact CD1-CG2 4.29Å; L190-V218 HydrophobicContact CD2-CB 4.47Å; L190-V218 HydrophobicContact CD2-CG1 3.45Å; L190-V218 VanDerWaalsContact CD2-CG1 3.45Å; L190-V218 HydrophobicContact CD2-CG2 4.17Å; L190-V218 HydrophobicContact CG-CG1 4.39Å; L190-V218 HydrophobicContact CG-CG2 4.42Å; V218-N220 HydrophobicContact CG1-CB 4.41Å; V218-V226 PolarHBondContact N-O 2.66Å; V218-V226 PolarHBondContact O-N 3.44Å; V218-L228 HydrophobicContact CB-CD1 4.03Å; V218-L228 HydrophobicContact CG2-CD1 3.71Å
219I98.7Very high96.8Very high0 Ų043.1 Ų43.10%023%0.225CC..EExtended strand (participates in β ladder)trans-121.9117.1169.2-50.387.5000108G45 V46 H73 A143 V145 G224 Y225G45-I219 CarbonylContact C-O 3.57Å; G45-I219 WeakPolarHBondContact CA-O 3.44Å; V46-I219 HydrophobicContact CG2-CB 3.8Å; V46-I219 HydrophobicContact CG2-CD1 4.13Å; V46-I219 HydrophobicContact CG2-CG1 4.47Å; V46-I219 PolarHBondContact N-O 2.83Å; V46-I219 PolarHBondContact O-N 2.82Å; H73-I219 WeakPolarHBondContact O-CG2 3.44Å; A143-I219 HydrophobicContact CB-CD1 4.04Å; V145-I219 HydrophobicContact CG2-CG2 4.16Å; V145-I219 WeakPolarHBondContact CG2-O 3.32Å; I219-G224 WeakPolarHBondContact CA-O 3.37Å; I219-Y225 HydrophobicContact CD1-CD2 4.17Å; I219-Y225 HydrophobicContact CG1-CD2 3.78Å; I219-Y225 HydrophobicContact CG1-CG 4.41Å
220N97.9Very high96.6Very high25 Ų2547.8 Ų47.813%0.13424%0.244CC..EExtended strand (participates in β ladder)trans-132.9166.3177.975.949000110.5E44 V218 K222 D223 G224E44-N220 WeakPolarHBondContact O-CB 3.38Å; V218-N220 HydrophobicContact CG1-CB 4.41Å; N220-K222 VanDerWaalsContact C-N 3.26Å; N220-K222 PolarHBondContact O-N 3.13Å; N220-K222 WeakPolarHBondContact OD1-CA 3.24Å; N220-K222 WeakPolarHBondContact OD1-CB 3.37Å; N220-K222 PolarHBondContact OD1-N 2.99Å; N220-D223 PolarHBondContact ND2-OD2 3.4Å; N220-D223 PolarHBondContact OD1-N 3.47Å; N220-D223 PolarHBondContact OD1-OD2 3.26Å; N220-G224 PolarHBondContact N-O 3.37Å; N220-G224 VanDerWaalsContact O-CA 3.28Å; N220-G224 WeakPolarHBondContact O-CA 3.47Å; N220-G224 PolarHBondContact O-N 2.87Å
221K95.5Very high96.7Very high192 Ų19251.4 Ų51.484%0.83526%0.258SS*.THydrogen-bonded Turntrans-65-28.1-177.2-173172.6-179.2175.40113.8V145V145-K221 HydrophobicContact CG1-CB 4.17Å
222K95.5Very high96.7Very high181 Ų18154 Ų5479%0.78727%0.268SS*.THydrogen-bonded Turntrans-82-49.7-173.1-178.9-167.3169-163.10111.6N220N220-K222 VanDerWaalsContact C-N 3.26Å; N220-K222 PolarHBondContact O-N 3.13Å; N220-K222 WeakPolarHBondContact OD1-CA 3.24Å; N220-K222 WeakPolarHBondContact OD1-CB 3.37Å; N220-K222 PolarHBondContact OD1-N 2.99Å
223D96.7Very high96.9Very high87 Ų8751.2 Ų51.247%0.46525%0.251SS..THydrogen-bonded Turntrans-103.1-13.2-170.3-49.7-53.1000112N220 V226N220-D223 PolarHBondContact ND2-OD2 3.4Å; N220-D223 PolarHBondContact OD1-N 3.47Å; N220-D223 PolarHBondContact OD1-OD2 3.26Å; D223-V226 HydrophobicContact CB-CG2 3.79Å
224G97.3Very high97Very high14 Ų1454.1 Ų54.114%0.14426%0.264CS..EExtended strand (participates in β ladder)trans68.7-148.1-171.300000111.1S72 I219 N220 V226S72-G224 CarbonylContact O-C 3.59Å; S72-G224 VanDerWaalsContact O-CA 3.31Å; S72-G224 WeakPolarHBondContact O-CA 3.33Å; I219-G224 WeakPolarHBondContact CA-O 3.37Å; N220-G224 PolarHBondContact N-O 3.37Å; N220-G224 VanDerWaalsContact O-CA 3.28Å; N220-G224 WeakPolarHBondContact O-CA 3.47Å; N220-G224 PolarHBondContact O-N 2.87Å; G224-V226 PolarHBondContact O-N 3.33Å
225Y98.5Very high97Very high29 Ų2959.7 Ų59.711%0.11429%0.29CS..EExtended strand (participates in β ladder)trans-71.4121.4174.7174.4-83.7000110.9I67 K69 S72 I219 L227I67-Y225 HydrophobicContact CG2-CE2 4.16Å; I67-Y225 WeakPolarHBondContact CG2-OH 3.42Å; K69-Y225 HydrophobicContact CB-CD1 3.84Å; K69-Y225 HydrophobicContact CB-CE1 3.65Å; K69-Y225 HydrophobicContact CB-CE2 4.39Å; K69-Y225 HydrophobicContact CB-CG 4.32Å; K69-Y225 HydrophobicContact CD-CD1 3.69Å; K69-Y225 HydrophobicContact CD-CE1 4.2Å; K69-Y225 HydrophobicContact CD-CG 4.3Å; K69-Y225 HydrophobicContact CG-CD1 3.65Å; K69-Y225 HydrophobicContact CG-CD2 4.48Å; K69-Y225 HydrophobicContact CG-CE1 4.02Å; K69-Y225 HydrophobicContact CG-CG 3.92Å; S72-Y225 PolarHBondContact O-N 3.3Å; I219-Y225 HydrophobicContact CD1-CD2 4.17Å; I219-Y225 HydrophobicContact CG1-CD2 3.78Å; I219-Y225 HydrophobicContact CG1-CG 4.41Å; Y225-L227 HydrophobicContact CE1-CB 4.29Å
226V98.5Very high96.9Very high55 Ų5558.9 Ų58.933%0.33329%0.286SS..EExtended strand (participates in β ladder)trans-130.5121.2174.5-179.70000109.2S217 V218 D223 G224S217-V226 CarbonylContact C-O 3.54Å; S217-V226 VanDerWaalsContact CA-O 3.22Å; S217-V226 WeakPolarHBondContact CA-O 3.17Å; S217-V226 WeakPolarHBondContact CB-O 3.48Å; V218-V226 PolarHBondContact N-O 2.66Å; V218-V226 PolarHBondContact O-N 3.44Å; D223-V226 HydrophobicContact CB-CG2 3.79Å; G224-V226 PolarHBondContact O-N 3.33Å
227L97.9Very high96.8Very high75 Ų7560.1 Ų60.139%0.39329%0.293SS..EExtended strand (participates in β ladder)trans-82127.4164.9-173.372.2000108I67 M216 Y225I67-L227 HydrophobicContact CB-CD1 4.23Å; M216-L227 WeakPolarHBondContact O-CD1 3.43Å; Y225-L227 HydrophobicContact CE1-CB 4.29Å
228L97.3Very high96.4Very high16 Ų1667.7 Ų67.78%0.08433%0.326CS..PPolyproline II helixtrans-68.5134.3-175.4-87.964.3000110.4M216 V218 E232 L236M216-L228 HydrophobicContact CB-CB 4.47Å; M216-L228 HydrophobicContact CB-CD2 4.27Å; M216-L228 HydrophobicContact CG-CD1 4.42Å; M216-L228 HydrophobicContact CG-CD2 4Å; M216-L228 WeakPolarHBondContact O-CB 3.46Å; M216-L228 PolarHBondContact O-N 3.27Å; M216-L228 HydrophobicContact SD-CD2 3.68Å; V218-L228 HydrophobicContact CB-CD1 4.03Å; V218-L228 HydrophobicContact CG2-CD1 3.71Å; L228-E232 HydrophobicContact CD2-CG 4.26Å; L228-L236 HydrophobicContact CD2-CD1 3.88Å
229P95.7Very high95.6Very high62 Ų6272.9 Ų72.940%0.40336%0.357SS..PPolyproline II helixtrans-67.5157.9173.530.8-34.7000110.5E231 E232 L233P229-E231 PolarHBondContact O-N 3.28Å; P229-E232 HydrophobicContact CG-CB 3.99Å; P229-E232 PolarHBondContact O-N 3.35Å; P229-L233 PolarHBondContact O-N 2.83Å
230K93.4Very high95.4Very high103 Ų10376.6 Ų76.645%0.44838%0.375SS..Hα-helixtrans-56.6-39.4-175.4-170.6-174.9176.6-174.30111.9S211 L233 E234S211-K230 WeakPolarHBondContact OG-CE 3.17Å; S211-K230 WeakPolarHBondContact OG-CG 3.39Å; K230-L233 WeakPolarHBondContact O-CB 3.22Å; K230-L233 PolarHBondContact O-N 2.72Å; K230-E234 WeakPolarHBondContact CE-OE1 3.45Å; K230-E234 WeakPolarHBondContact O-CG 3.28Å; K230-E234 PolarHBondContact O-N 3.45Å
231E95.5Very high95.3Very high125 Ų12579.3 Ų79.358%0.58439%0.388SS*.Hα-helixtrans-63.4-45.7-177-62.771.6-155.900111.6P229 L233 E234 E235P229-E231 PolarHBondContact O-N 3.28Å; E231-L233 VanDerWaalsContact C-N 3.33Å; E231-L233 PolarHBondContact O-N 3.08Å; E231-E234 WeakPolarHBondContact O-CB 3.13Å; E231-E234 PolarHBondContact O-N 3.48Å; E231-E235 PolarHBondContact O-N 3.33Å
232E95.5Very high95.3Very high72 Ų7273 Ų7334%0.33636%0.363SS..Hα-helixtrans-67-37.7178.4-172.4178.3167.400111.4L228 P229 E234 E235 L236L228-E232 HydrophobicContact CD2-CG 4.26Å; P229-E232 HydrophobicContact CG-CB 3.99Å; P229-E232 PolarHBondContact O-N 3.35Å; E232-E234 VanDerWaalsContact C-N 3.34Å; E232-E234 PolarHBondContact O-N 3.08Å; E232-E235 PolarHBondContact O-N 3.3Å; E232-L236 PolarHBondContact O-N 3.26Å; E232-L236 VanDerWaalsContact O-N 3.13Å
233L96Very high95.3Very high4 Ų466.6 Ų66.62%0.02134%0.338CS..Hα-helixtrans-64.3-38.6175-16962.4000111.8I198 I214 M216 P229 K230 E231 E235 L236 I237I198-L233 HydrophobicContact CD1-CD1 4.36Å; I214-L233 HydrophobicContact CD1-CD1 3.67Å; I214-L233 HydrophobicContact CD1-CD2 4.23Å; I214-L233 HydrophobicContact CD1-CG 4.09Å; I214-L233 HydrophobicContact CG1-CD1 4.03Å; I214-L233 HydrophobicContact CG1-CD2 3.68Å; I214-L233 HydrophobicContact CG1-CG 4.1Å; M216-L233 HydrophobicContact CB-CD1 3.9Å; M216-L233 HydrophobicContact CE-CD1 4.48Å; M216-L233 HydrophobicContact SD-CD1 4.46Å; P229-L233 PolarHBondContact O-N 2.83Å; K230-L233 WeakPolarHBondContact O-CB 3.22Å; K230-L233 PolarHBondContact O-N 2.72Å; E231-L233 VanDerWaalsContact C-N 3.33Å; E231-L233 PolarHBondContact O-N 3.08Å; L233-E235 VanDerWaalsContact C-N 3.34Å; L233-E235 PolarHBondContact O-N 3.1Å; L233-L236 PolarHBondContact O-N 3.28Å; L233-I237 HydrophobicContact CG-CD1 4.08Å; L233-I237 WeakPolarHBondContact O-CD1 3.49Å; L233-I237 WeakPolarHBondContact O-CG1 3.46Å; L233-I237 PolarHBondContact O-N 3.21Å
234E96.8Very high95.2Very high68 Ų6865.4 Ų65.432%0.31833%0.33SS..Hα-helixtrans-64.1-37.2174.8-74.1178.6-173.800112.8S211 K230 E231 E232 I237 K238S211-E234 VanDerWaalsContact OG-CG 3.26Å; S211-E234 WeakPolarHBondContact OG-CG 3.16Å; S211-E234 PolarHBondContact OG-OE1 3.07Å; K230-E234 WeakPolarHBondContact CE-OE1 3.45Å; K230-E234 WeakPolarHBondContact O-CG 3.28Å; K230-E234 PolarHBondContact O-N 3.45Å; E231-E234 WeakPolarHBondContact O-CB 3.13Å; E231-E234 PolarHBondContact O-N 3.48Å; E232-E234 VanDerWaalsContact C-N 3.34Å; E232-E234 PolarHBondContact O-N 3.08Å; E234-I237 PolarHBondContact O-N 3.3Å; E234-K238 WeakPolarHBondContact O-CD 3.2Å; E234-K238 VanDerWaalsContact O-CG 3.26Å; E234-K238 WeakPolarHBondContact O-CG 3.47Å; E234-K238 PolarHBondContact O-N 3.46Å
235E96.4Very high95Very high118 Ų11868.8 Ų68.855%0.55134%0.342SS*.Hα-helixtrans-64.2-43.2174.8-69.4-179177.700111.7E231 E232 L233 I237 K238E231-E235 PolarHBondContact O-N 3.33Å; E232-E235 PolarHBondContact O-N 3.3Å; L233-E235 VanDerWaalsContact C-N 3.34Å; L233-E235 PolarHBondContact O-N 3.1Å; E235-I237 VanDerWaalsContact C-N 3.34Å; E235-I237 PolarHBondContact O-N 3.11Å; E235-K238 PolarHBondContact O-N 2.72Å
236L95.7Very high94.8Very high0 Ų071.6 Ų71.60%036%0.359CS..Hα-helixtrans-62.3-38.9175.3-80.8167.9000112.8Q194 L195 I198 M216 L228 E232 L233 K238Q194-L236 HydrophobicContact CB-CD1 4.11Å; Q194-L236 HydrophobicContact CB-CD2 3.76Å; Q194-L236 HydrophobicContact CG-CD1 4.37Å; L195-L236 HydrophobicContact CD2-CD2 3.74Å; L195-L236 HydrophobicContact CG-CD2 4.25Å; I198-L236 HydrophobicContact CG1-CB 4.34Å; M216-L236 HydrophobicContact SD-CD1 3.78Å; L228-L236 HydrophobicContact CD2-CD1 3.88Å; E232-L236 PolarHBondContact O-N 3.26Å; E232-L236 VanDerWaalsContact O-N 3.13Å; L233-L236 PolarHBondContact O-N 3.28Å; L236-K238 VanDerWaalsContact C-N 3.33Å; L236-K238 PolarHBondContact O-N 2.73Å
237I96Very high94.5Very high26 Ų2672.9 Ų72.913%0.13336%0.361CS..Hα-helixtrans-70.2-29.7-179-68.4164000112.2I198 K202 V209 T210 I214 L233 E234 E235 V239I198-I237 HydrophobicContact CD1-CG1 4.19Å; I198-I237 HydrophobicContact CG2-CG1 4.49Å; K202-I237 WeakPolarHBondContact CE-O 3.47Å; K202-I237 PolarHBondContact NZ-O 2.92Å; V209-I237 HydrophobicContact CG1-CD1 4Å; V209-I237 HydrophobicContact CG1-CG1 3.94Å; V209-I237 HydrophobicContact CG1-CG2 4.39Å; T210-I237 VanDerWaalsContact C-CD1 3.41Å; I214-I237 HydrophobicContact CD1-CD1 3.99Å; I214-I237 HydrophobicContact CD1-CG1 4.26Å; L233-I237 HydrophobicContact CG-CD1 4.08Å; L233-I237 WeakPolarHBondContact O-CD1 3.49Å; L233-I237 WeakPolarHBondContact O-CG1 3.46Å; L233-I237 PolarHBondContact O-N 3.21Å; E234-I237 PolarHBondContact O-N 3.3Å; E235-I237 VanDerWaalsContact C-N 3.34Å; E235-I237 PolarHBondContact O-N 3.11Å; I237-V239 VanDerWaalsContact C-N 3.31Å; I237-V239 PolarHBondContact O-N 3.21Å
238K91.7Very high94.2Very high160 Ų16072.8 Ų72.870%0.69636%0.358SS*.Hα-helixtrans-71-24-178.7-75.7166.3-171.2166.30113.6E234 E235 L236E234-K238 WeakPolarHBondContact O-CD 3.2Å; E234-K238 VanDerWaalsContact O-CG 3.26Å; E234-K238 WeakPolarHBondContact O-CG 3.47Å; E234-K238 PolarHBondContact O-N 3.46Å; E235-K238 PolarHBondContact O-N 2.72Å; L236-K238 VanDerWaalsContact C-N 3.33Å; L236-K238 PolarHBondContact O-N 2.73Å
239V80.8Confident93.9Very high119 Ų11977.9 Ų77.972%0.72138%0.383SS*.  trans-71.40174-172.80000110L195 K202 I237L195-V239 HydrophobicContact CD2-CB 3.82Å; L195-V239 HydrophobicContact CD2-CG1 3.91Å; L195-V239 HydrophobicContact CD2-CG2 4.14Å; K202-V239 PolarHBondContact NZ-OXT 3.15Å; I237-V239 VanDerWaalsContact C-N 3.31Å; I237-V239 PolarHBondContact O-N 3.21Å

Retrieved 239 of 239 residues in 112.2 ms (Link to these results)

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