A0A096MZU2_PAPAN Loading...

Axin interactor, dorsalization-associated protein

Acts as a ventralizing factor during embryogenesis. Inhibits axin-mediated JNK activation by binding axin and disrupting axin homodimerization. This in turn antagonizes a Wnt/beta-catenin-independent dorsalization pathway activated by AXIN/JNK-signaling.

AlphaFold DB (Q5RAV3), UniProt , Accession A0A096MZU2, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 306 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
1M66.8Low86.1Confident139 Ų13985.5 Ų85.569%0.68542%0.42SS*.  0117.20-172-158.2-61.900106.5T5 R6 L102M1-T5 HydrophobicContact CG-CG2 4.04Å; M1-R6 HydrophobicContact SD-CB 3.68Å; M1-R6 HydrophobicContact SD-CG 4.19Å; M1-L102 HydrophobicContact CE-CD1 3.13Å; M1-L102 HydrophobicContact CG-CD1 4Å; M1-L102 HydrophobicContact SD-CD1 4.03Å
2S81Confident86.9Confident34 Ų3478.6 Ų78.624%0.23839%0.385CS..  trans-68160.7171.270.20000110.9V4 T5 R6 E54S2-V4 PolarHBondContact O-N 2.64Å; S2-V4 PolarHBondContact OG-N 2.71Å; S2-T5 PolarHBondContact O-N 2.97Å; S2-T5 PolarHBondContact OG-N 3.29Å; S2-T5 VanDerWaalsContact OG-N 3.08Å; S2-T5 PolarHBondContact OG-OG1 3.46Å; S2-R6 PolarHBondContact O-N 3.03Å; S2-E54 WeakPolarHBondContact CB-OE1 3.34Å; S2-E54 WeakPolarHBondContact CB-OE2 3.4Å; S2-E54 PolarHBondContact N-OE2 3.17Å; S2-E54 PolarHBondContact OG-OE1 3.31Å; S2-E54 PolarHBondContact OG-OE2 2.94Å
3E84.9Confident87.6Confident167 Ų16773.3 Ų73.378%0.7836%0.364SS*.Hα-helixtrans-59-32.4170-172.2170.1-171.400111.6R6 S7E3-R6 PolarHBondContact O-N 3.49Å; E3-S7 WeakPolarHBondContact O-CB 3.43Å; E3-S7 PolarHBondContact O-N 2.69Å
4V84.9Confident88.1Confident108 Ų10871.1 Ų71.166%0.65536%0.363SS*.Hα-helixtrans-61.5-50.4176.9-1760000110.9S2 R6 S7 L8S2-V4 PolarHBondContact O-N 2.64Å; S2-V4 PolarHBondContact OG-N 2.71Å; V4-R6 VanDerWaalsContact C-N 3.3Å; V4-R6 PolarHBondContact O-N 3.14Å; V4-S7 PolarHBondContact O-N 3.33Å; V4-L8 WeakPolarHBondContact O-CB 3.4Å; V4-L8 PolarHBondContact O-N 3.4Å
5T86.1Confident88.5Confident7 Ų766.5 Ų66.54%0.04334%0.339CS..Hα-helixtrans-62.1-38.3178.3-63.10000111.7M1 S2 L8 L9 E54 F55 L102M1-T5 HydrophobicContact CG-CG2 4.04Å; S2-T5 PolarHBondContact O-N 2.97Å; S2-T5 PolarHBondContact OG-N 3.29Å; S2-T5 VanDerWaalsContact OG-N 3.08Å; S2-T5 PolarHBondContact OG-OG1 3.46Å; T5-L8 PolarHBondContact O-N 3.45Å; T5-L9 HydrophobicContact CG2-CD1 4.42Å; T5-L9 WeakPolarHBondContact O-CG 3.24Å; T5-L9 PolarHBondContact O-N 3.06Å; T5-L9 VanDerWaalsContact O-N 3.1Å; T5-E54 PolarHBondContact OG1-OE2 3.47Å; T5-F55 HydrophobicContact CG2-CE1 4.06Å; T5-F55 HydrophobicContact CG2-CE2 4.45Å; T5-F55 HydrophobicContact CG2-CZ 3.79Å; T5-L102 HydrophobicContact CG2-CD1 4.5Å; T5-L102 HydrophobicContact CG2-CD2 4.46Å
6R86.8Confident89Confident144 Ų14462.3 Ų62.354%0.54332%0.318SS..Hα-helixtrans-63.6-46.8176.1-171.3-179.1-68.8162.5-1.7111.8M1 S2 E3 V4 L8 L9 Q10M1-R6 HydrophobicContact SD-CB 3.68Å; M1-R6 HydrophobicContact SD-CG 4.19Å; S2-R6 PolarHBondContact O-N 3.03Å; E3-R6 PolarHBondContact O-N 3.49Å; V4-R6 VanDerWaalsContact C-N 3.3Å; V4-R6 PolarHBondContact O-N 3.14Å; R6-L8 VanDerWaalsContact C-N 3.34Å; R6-L9 PolarHBondContact O-N 2.86Å; R6-Q10 WeakPolarHBondContact O-CG 3.35Å; R6-Q10 PolarHBondContact O-N 2.91Å; R6-Q10 VanDerWaalsContact O-N 3.09Å
7S89.4Confident89.4Confident55 Ų5565.1 Ų65.139%0.38532%0.324SS..Hα-helixtrans-61.6-43178.4-179.90000111.2E3 V4 L9 Q10 R11E3-S7 WeakPolarHBondContact O-CB 3.43Å; E3-S7 PolarHBondContact O-N 2.69Å; V4-S7 PolarHBondContact O-N 3.33Å; S7-L9 PolarHBondContact O-N 3.49Å; S7-Q10 WeakPolarHBondContact O-CB 3.12Å; S7-Q10 PolarHBondContact O-N 2.86Å; S7-R11 WeakPolarHBondContact O-CG 3.36Å; S7-R11 PolarHBondContact O-N 3.14Å
8L90.5Very high89.6Confident38 Ų3865.4 Ų65.420%0.19932%0.321CS..Hα-helixtrans-58.2-48.3176.6-174.765.3000112.2V4 T5 R6 Q10 R11 W12 F55V4-L8 WeakPolarHBondContact O-CB 3.4Å; V4-L8 PolarHBondContact O-N 3.4Å; T5-L8 PolarHBondContact O-N 3.45Å; R6-L8 VanDerWaalsContact C-N 3.34Å; L8-Q10 VanDerWaalsContact C-N 3.3Å; L8-Q10 PolarHBondContact O-N 3.47Å; L8-R11 PolarHBondContact O-N 2.78Å; L8-W12 HydrophobicContact CD1-CD2 4.48Å; L8-W12 HydrophobicContact CD1-CZ2 3.94Å; L8-W12 HydrophobicContact CD2-CH2 3.94Å; L8-W12 HydrophobicContact CD2-CZ2 3.68Å; L8-W12 HydrophobicContact CG-CD2 4.14Å; L8-W12 HydrophobicContact CG-CH2 4.28Å; L8-W12 HydrophobicContact CG-CZ2 3.75Å; L8-W12 PolarHBondContact O-N 3.26Å; L8-F55 HydrophobicContact CD2-CE2 4.03Å; L8-F55 HydrophobicContact CD2-CZ 4.45Å
9L92.3Very high89.8Confident23 Ų2361.9 Ų61.912%0.1230%0.304CS..Hα-helixtrans-63.8-34.8177.7-66.3176.9000112.7T5 R6 S7 W12 G13 F55 I101 L102T5-L9 HydrophobicContact CG2-CD1 4.42Å; T5-L9 WeakPolarHBondContact O-CG 3.24Å; T5-L9 PolarHBondContact O-N 3.06Å; T5-L9 VanDerWaalsContact O-N 3.1Å; R6-L9 PolarHBondContact O-N 2.86Å; S7-L9 PolarHBondContact O-N 3.49Å; L9-W12 HydrophobicContact CD2-CE3 3.78Å; L9-W12 HydrophobicContact CD2-CZ3 4Å; L9-G13 PolarHBondContact O-N 2.8Å; L9-F55 HydrophobicContact CD2-CE1 4.17Å; L9-F55 HydrophobicContact CD2-CZ 3.99Å; L9-F55 HydrophobicContact CG-CZ 4.43Å; L9-I101 HydrophobicContact CD1-CG2 3.93Å; L9-I101 HydrophobicContact CD2-CG2 3.45Å; L9-I101 VanDerWaalsContact CD2-CG2 3.45Å; L9-I101 HydrophobicContact CG-CG2 4.35Å; L9-L102 HydrophobicContact CD1-CD1 3.87Å; L9-L102 HydrophobicContact CD1-CG 4.06Å
10Q91.8Very high90Very high131 Ų13159.1 Ų59.161%0.61229%0.291SS*.Hα-helixtrans-65.4-45.3174.3-74.7179.3-2100111.6R6 S7 L8 G13 A14R6-Q10 WeakPolarHBondContact O-CG 3.35Å; R6-Q10 PolarHBondContact O-N 2.91Å; R6-Q10 VanDerWaalsContact O-N 3.09Å; S7-Q10 WeakPolarHBondContact O-CB 3.12Å; S7-Q10 PolarHBondContact O-N 2.86Å; L8-Q10 VanDerWaalsContact C-N 3.3Å; L8-Q10 PolarHBondContact O-N 3.47Å; Q10-G13 PolarHBondContact O-N 3.13Å; Q10-A14 WeakPolarHBondContact O-CB 3.1Å; Q10-A14 PolarHBondContact O-N 3.36Å
11R93Very high90Very high94 Ų9459.5 Ų59.536%0.35529%0.294SS..Hα-helixtrans-61.3-46.1176.7-68.8174.177.3-175.711.5111.5S7 L8 G13 A14 S15 F131S7-R11 WeakPolarHBondContact O-CG 3.36Å; S7-R11 PolarHBondContact O-N 3.14Å; L8-R11 PolarHBondContact O-N 2.78Å; R11-G13 PolarHBondContact O-N 3.25Å; R11-A14 PolarHBondContact O-N 2.76Å; R11-S15 WeakPolarHBondContact O-CB 3.48Å; R11-S15 PolarHBondContact O-N 3.45Å; R11-F131 HydrophobicContact CB-CD2 4.49Å; R11-F131 HydrophobicContact CB-CE2 4.27Å
12W95.7Very high91.2Very high3 Ų353.4 Ų53.41%0.01126%0.264CS..Hα-helixtrans-61.1-45.4175.5-68.9-6.7000112.6L8 L9 A14 S15 F16 L38 L42 E45 F55 I63 L98 F131L8-W12 HydrophobicContact CD1-CD2 4.48Å; L8-W12 HydrophobicContact CD1-CZ2 3.94Å; L8-W12 HydrophobicContact CD2-CH2 3.94Å; L8-W12 HydrophobicContact CD2-CZ2 3.68Å; L8-W12 HydrophobicContact CG-CD2 4.14Å; L8-W12 HydrophobicContact CG-CH2 4.28Å; L8-W12 HydrophobicContact CG-CZ2 3.75Å; L8-W12 PolarHBondContact O-N 3.26Å; L9-W12 HydrophobicContact CD2-CE3 3.78Å; L9-W12 HydrophobicContact CD2-CZ3 4Å; W12-A14 VanDerWaalsContact C-N 3.32Å; W12-A14 PolarHBondContact O-N 2.6Å; W12-S15 PolarHBondContact O-N 3.46Å; W12-F16 WeakPolarHBondContact O-CB 3.37Å; W12-F16 PolarHBondContact O-N 3.3Å; W12-L38 HydrophobicContact CB-CD1 3.91Å; W12-L38 HydrophobicContact CG-CD1 3.91Å; W12-L42 HydrophobicContact CD2-CD2 3.46Å; W12-L42 VanDerWaalsContact CD2-CD2 3.46Å; W12-L42 HydrophobicContact CE3-CD2 3.33Å; W12-L42 HydrophobicContact CG-CD2 4.13Å; W12-L42 HydrophobicContact CH2-CD2 3.72Å; W12-L42 HydrophobicContact CZ2-CD2 3.87Å; W12-L42 HydrophobicContact CZ3-CD2 3.48Å; W12-L42 VanDerWaalsContact CZ3-CD2 3.48Å; W12-E45 HydrophobicContact CH2-CB 3.7Å; W12-E45 HydrophobicContact CH2-CG 3.77Å; W12-E45 HydrophobicContact CZ2-CB 3.91Å; W12-E45 HydrophobicContact CZ2-CG 4.28Å; W12-F55 HydrophobicContact CH2-CE2 4.22Å; W12-F55 HydrophobicContact CH2-CZ 4.42Å; W12-F55 HydrophobicContact CZ3-CE2 4.43Å; W12-F55 HydrophobicContact CZ3-CZ 4.18Å; W12-I63 HydrophobicContact CH2-CD1 4.19Å; W12-I63 HydrophobicContact CH2-CG2 4.26Å; W12-I63 HydrophobicContact CZ3-CD1 4.04Å; W12-I63 HydrophobicContact CZ3-CG1 4.28Å; W12-I63 HydrophobicContact CZ3-CG2 4.44Å; W12-L98 HydrophobicContact CB-CD1 4.27Å; W12-L98 HydrophobicContact CB-CD2 4.15Å; W12-L98 HydrophobicContact CB-CG 4.46Å; W12-L98 HydrophobicContact CE3-CD1 3.91Å; W12-F131 AromaticContact CD1-CZ 3.75Å
13G95.7Very high91.7Very high10 Ų1052.4 Ų52.410%0.10326%0.256CS..Hα-helixtrans-63.8-36176.900000113.1L9 Q10 R11 R17L9-G13 PolarHBondContact O-N 2.8Å; Q10-G13 PolarHBondContact O-N 3.13Å; R11-G13 PolarHBondContact O-N 3.25Å; G13-R17 VanDerWaalsContact O-CZ 3.29Å; G13-R17 PolarHBondContact O-N 2.63Å; G13-R17 VanDerWaalsContact O-N 3.15Å; G13-R17 PolarHBondContact O-NH1 3.01Å
14A93.9Very high92Very high42 Ų4247.3 Ų47.335%0.34724%0.238SC..Hα-helixtrans-67.8-47175.600000111.9Q10 R11 W12 F16 R17 R18Q10-A14 WeakPolarHBondContact O-CB 3.1Å; Q10-A14 PolarHBondContact O-N 3.36Å; R11-A14 PolarHBondContact O-N 2.76Å; W12-A14 VanDerWaalsContact C-N 3.32Å; W12-A14 PolarHBondContact O-N 2.6Å; A14-F16 PolarHBondContact O-N 3.26Å; A14-R17 PolarHBondContact O-N 3.25Å; A14-R18 WeakPolarHBondContact O-CB 3.3Å; A14-R18 PolarHBondContact O-N 2.79Å
15S94.9Very high92Very high2 Ų245.8 Ų45.81%0.01422%0.221CC..Hα-helixtrans-60.3-44.3175.9178.30000112R11 W12 R17 R18 G19 E34 F131R11-S15 WeakPolarHBondContact O-CB 3.48Å; R11-S15 PolarHBondContact O-N 3.45Å; W12-S15 PolarHBondContact O-N 3.46Å; S15-R17 PolarHBondContact O-N 3.46Å; S15-R18 PolarHBondContact O-N 3.21Å; S15-G19 PolarHBondContact O-N 2.98Å; S15-E34 WeakPolarHBondContact CA-OE1 3.22Å; S15-E34 VanDerWaalsContact CB-OE1 3.24Å; S15-E34 WeakPolarHBondContact CB-OE1 3.35Å; S15-E34 WeakPolarHBondContact O-CG 3.14Å; S15-E34 PolarHBondContact OG-OE1 3.37Å; S15-F131 VanDerWaalsContact CB-CE1 3.4Å
16F96.9Very high91.9Very high0 Ų047.7 Ų47.70%024%0.242CC..Hα-helixtrans-57.2-49.7176-176.8-83.1000111.9W12 A14 G19 A20 L38 L70 L91 L94 E95 L98W12-F16 WeakPolarHBondContact O-CB 3.37Å; W12-F16 PolarHBondContact O-N 3.3Å; A14-F16 PolarHBondContact O-N 3.26Å; F16-G19 PolarHBondContact O-N 2.89Å; F16-A20 HydrophobicContact CE1-CB 4.49Å; F16-A20 WeakPolarHBondContact O-CB 3.44Å; F16-A20 PolarHBondContact O-N 2.89Å; F16-L38 HydrophobicContact CB-CD2 3.71Å; F16-L38 HydrophobicContact CD2-CD2 4.12Å; F16-L38 HydrophobicContact CG-CD2 4.43Å; F16-L70 HydrophobicContact CD2-CD2 4.09Å; F16-L70 HydrophobicContact CE2-CD2 4.12Å; F16-L91 HydrophobicContact CE2-CD1 4.2Å; F16-L91 HydrophobicContact CE2-CD2 4.3Å; F16-L91 HydrophobicContact CE2-CG 3.95Å; F16-L91 HydrophobicContact CZ-CD2 4.23Å; F16-L91 HydrophobicContact CZ-CG 3.85Å; F16-L91 VanDerWaalsContact CZ-O 3.28Å; F16-L91 WeakPolarHBondContact CZ-O 3.28Å; F16-L94 HydrophobicContact CE2-CB 3.98Å; F16-L94 HydrophobicContact CE2-CD1 4.47Å; F16-L94 HydrophobicContact CZ-CB 4.12Å; F16-E95 HydrophobicContact CD1-CB 4.01Å; F16-E95 HydrophobicContact CD1-CG 4.17Å; F16-E95 HydrophobicContact CE1-CB 3.67Å; F16-E95 HydrophobicContact CE1-CG 4.3Å; F16-E95 HydrophobicContact CZ-CB 4.41Å; F16-L98 HydrophobicContact CB-CD2 3.89Å; F16-L98 HydrophobicContact CD2-CD2 4.29Å; F16-L98 HydrophobicContact CG-CD2 4.22Å
17R95Very high91.8Very high110 Ų11041.5 Ų41.542%0.41522%0.219SC..Hα-helixtrans-61.5-44.1177.6-80.1-169.8-64.1-76.4-5.5111.6G13 A14 S15 G19 A20 D21 E95G13-R17 VanDerWaalsContact O-CZ 3.29Å; G13-R17 PolarHBondContact O-N 2.63Å; G13-R17 VanDerWaalsContact O-N 3.15Å; G13-R17 PolarHBondContact O-NH1 3.01Å; A14-R17 PolarHBondContact O-N 3.25Å; S15-R17 PolarHBondContact O-N 3.46Å; R17-G19 VanDerWaalsContact C-N 3.35Å; R17-G19 PolarHBondContact O-N 2.93Å; R17-A20 PolarHBondContact O-N 2.87Å; R17-D21 WeakPolarHBondContact O-CB 3.24Å; R17-D21 VanDerWaalsContact O-CG 3.25Å; R17-D21 PolarHBondContact O-N 2.84Å; R17-E95 WeakPolarHBondContact CD-OE1 3.3Å; R17-E95 WeakPolarHBondContact CG-OE1 3.4Å; R17-E95 IonicContact NH1-OE1 2.88Å; R17-E95 PolarHBondContact NH1-OE1 3.19Å
18R92.6Very high91.7Very high70 Ų7042.6 Ų42.626%0.26422%0.22SC..Hα-helixtrans-58.6-46.6178.7-168.5-167.5-69.3165.4-13111.4A14 S15 D21 F22 E34 E132A14-R18 WeakPolarHBondContact O-CB 3.3Å; A14-R18 PolarHBondContact O-N 2.79Å; S15-R18 PolarHBondContact O-N 3.21Å; R18-D21 PolarHBondContact O-N 3.47Å; R18-F22 HydrophobicContact CG-CD2 4.21Å; R18-F22 HydrophobicContact CG-CE2 3.55Å; R18-F22 HydrophobicContact CG-CZ 3.8Å; R18-F22 VanDerWaalsContact O-CD2 3.26Å; R18-F22 WeakPolarHBondContact O-CD2 3.4Å; R18-F22 WeakPolarHBondContact O-CG 3.42Å; R18-F22 PolarHBondContact O-N 2.77Å; R18-E34 HydrophobicContact CB-CG 4.34Å; R18-E34 WeakPolarHBondContact CD-OE2 3.27Å; R18-E34 IonicContact NH1-OE1 3.24Å; R18-E34 PolarHBondContact NH1-OE1 2.85Å; R18-E34 IonicContact NH1-OE2 3.53Å; R18-E34 PolarHBondContact NH1-OE2 3.32Å; R18-E132 PolarHBondContact NH1-O 2.95Å; R18-E132 PolarHBondContact NH2-O 2.88Å
19G94.2Very high91.5Very high0 Ų044.1 Ų44.10%023%0.231CC..Hα-helixtrans-62.3-45175.200000112.5S15 F16 R17 D21 F22 D23 Y35S15-G19 PolarHBondContact O-N 2.98Å; F16-G19 PolarHBondContact O-N 2.89Å; R17-G19 VanDerWaalsContact C-N 3.35Å; R17-G19 PolarHBondContact O-N 2.93Å; G19-D21 VanDerWaalsContact C-N 3.31Å; G19-D21 PolarHBondContact O-N 3.41Å; G19-F22 PolarHBondContact O-N 3.39Å; G19-D23 WeakPolarHBondContact O-CB 3.27Å; G19-D23 PolarHBondContact O-N 2.6Å; G19-Y35 VanDerWaalsContact C-CZ 3.45Å; G19-Y35 VanDerWaalsContact C-OH 3.23Å; G19-Y35 PolarHBondContact O-OH 2.53Å
20A94.4Very high91.3Very high5 Ų543.6 Ų43.64%0.04123%0.228CC..Hα-helixtrans-62.1-34.8175.600000113.8F16 R17 S24 Y35 L88F16-A20 HydrophobicContact CE1-CB 4.49Å; F16-A20 WeakPolarHBondContact O-CB 3.44Å; F16-A20 PolarHBondContact O-N 2.89Å; R17-A20 PolarHBondContact O-N 2.87Å; A20-S24 WeakPolarHBondContact O-CB 3.36Å; A20-S24 PolarHBondContact O-N 3.07Å; A20-S24 PolarHBondContact O-OG 2.85Å; A20-Y35 WeakPolarHBondContact CA-OH 3.38Å; A20-Y35 PolarHBondContact N-OH 2.91Å; A20-L88 HydrophobicContact CB-CD1 4.31Å
21D90.1Very high91.3Very high67 Ų6737.4 Ų37.436%0.35820%0.199SC..Hα-helixtrans-70.6-47.1175-66.7-24.8000110.1R17 R18 G19 D23 S24 W25R17-D21 WeakPolarHBondContact O-CB 3.24Å; R17-D21 VanDerWaalsContact O-CG 3.25Å; R17-D21 PolarHBondContact O-N 2.84Å; R18-D21 PolarHBondContact O-N 3.47Å; G19-D21 VanDerWaalsContact C-N 3.31Å; G19-D21 PolarHBondContact O-N 3.41Å; D21-D23 VanDerWaalsContact C-N 3.32Å; D21-D23 PolarHBondContact O-N 3.15Å; D21-S24 WeakPolarHBondContact CA-OG 3.48Å; D21-S24 CarbonylContact O-C 3.43Å; D21-S24 PolarHBondContact O-N 2.56Å; D21-S24 VanDerWaalsContact O-N 3.1Å; D21-S24 PolarHBondContact O-OG 3.31Å; D21-W25 HydrophobicContact CB-CD2 4.18Å; D21-W25 HydrophobicContact CB-CE3 3.61Å; D21-W25 HydrophobicContact CB-CH2 3.55Å; D21-W25 HydrophobicContact CB-CZ2 4.07Å; D21-W25 HydrophobicContact CB-CZ3 3.19Å; D21-W25 WeakPolarHBondContact O-CB 3.48Å; D21-W25 PolarHBondContact O-N 3.46Å
22F90.8Very high91.2Very high12 Ų1233.9 Ų33.95%0.05319%0.187CC..Hα-helixtrans-53.9-47173.8-68.6-41.1000112.6R18 G19 S24 W25 G26 Q27 E30 A31 E34 P279R18-F22 HydrophobicContact CG-CD2 4.21Å; R18-F22 HydrophobicContact CG-CE2 3.55Å; R18-F22 HydrophobicContact CG-CZ 3.8Å; R18-F22 VanDerWaalsContact O-CD2 3.26Å; R18-F22 WeakPolarHBondContact O-CD2 3.4Å; R18-F22 WeakPolarHBondContact O-CG 3.42Å; R18-F22 PolarHBondContact O-N 2.77Å; G19-F22 PolarHBondContact O-N 3.39Å; F22-S24 VanDerWaalsContact C-N 3.34Å; F22-S24 PolarHBondContact O-N 2.74Å; F22-W25 HydrophobicContact CD1-CE3 4.17Å; F22-W25 HydrophobicContact CD1-CZ3 4.41Å; F22-W25 PolarHBondContact O-N 2.92Å; F22-G26 PolarHBondContact O-N 2.88Å; F22-G26 VanDerWaalsContact O-N 3.12Å; F22-Q27 HydrophobicContact CB-CB 4.18Å; F22-Q27 HydrophobicContact CD1-CB 4.27Å; F22-Q27 PolarHBondContact O-N 3.4Å; F22-E30 HydrophobicContact CB-CB 4.16Å; F22-E30 HydrophobicContact CD1-CB 3.92Å; F22-E30 HydrophobicContact CD2-CB 3.64Å; F22-E30 HydrophobicContact CE1-CB 4.19Å; F22-E30 HydrophobicContact CE2-CB 3.91Å; F22-E30 HydrophobicContact CG-CB 3.67Å; F22-E30 HydrophobicContact CZ-CB 4.2Å; F22-A31 HydrophobicContact CB-CB 3.78Å; F22-E34 HydrophobicContact CD2-CB 4.37Å; F22-E34 HydrophobicContact CE2-CB 4.48Å; F22-P279 HydrophobicContact CD1-CB 3.65Å; F22-P279 HydrophobicContact CD1-CG 3.72Å; F22-P279 HydrophobicContact CE1-CB 3.65Å; F22-P279 HydrophobicContact CE1-CG 3.57Å
23D92Very high90.9Very high13 Ų1335.1 Ų35.17%0.0719%0.194CC..Hα-helixtrans-58.8-47.6176.7-168.7-29.5000110.4G19 D21 W25 G26 A31 Y35 R73 L88G19-D23 WeakPolarHBondContact O-CB 3.27Å; G19-D23 PolarHBondContact O-N 2.6Å; D21-D23 VanDerWaalsContact C-N 3.32Å; D21-D23 PolarHBondContact O-N 3.15Å; D23-W25 VanDerWaalsContact C-N 3.26Å; D23-W25 PolarHBondContact O-N 3.12Å; D23-G26 PolarHBondContact O-N 2.97Å; D23-G26 VanDerWaalsContact O-N 3.13Å; D23-A31 HydrophobicContact CB-CB 3.86Å; D23-Y35 HydrophobicContact CB-CE2 4.3Å; D23-Y35 WeakPolarHBondContact CB-OH 3.27Å; D23-Y35 PolarHBondContact OD2-OH 3.47Å; D23-R73 VanDerWaalsContact CG-NH2 3.27Å; D23-R73 IonicContact OD1-CZ 3.33Å; D23-R73 IonicContact OD1-NE 3.73Å; D23-R73 IonicContact OD1-NH2 3.89Å; D23-R73 PolarHBondContact OD1-NH2 2.86Å; D23-R73 IonicContact OD2-CZ 3.14Å; D23-R73 VanDerWaalsContact OD2-CZ 3.24Å; D23-R73 IonicContact OD2-NE 2.75Å; D23-R73 PolarHBondContact OD2-NE 3.28Å; D23-R73 IonicContact OD2-NH2 3.98Å; D23-R73 PolarHBondContact OD2-NH2 3.38Å; D23-L88 HydrophobicContact CB-CD1 4.02Å; D23-L88 HydrophobicContact CB-CD2 4.25Å
24S90Very high90.8Very high60 Ų6035.5 Ų35.542%0.4219%0.193SC..Hα-helixtrans-65.5-27.3178.379.40000114.3A20 D21 F22A20-S24 WeakPolarHBondContact O-CB 3.36Å; A20-S24 PolarHBondContact O-N 3.07Å; A20-S24 PolarHBondContact O-OG 2.85Å; D21-S24 WeakPolarHBondContact CA-OG 3.48Å; D21-S24 CarbonylContact O-C 3.43Å; D21-S24 PolarHBondContact O-N 2.56Å; D21-S24 VanDerWaalsContact O-N 3.1Å; D21-S24 PolarHBondContact O-OG 3.31Å; F22-S24 VanDerWaalsContact C-N 3.34Å; F22-S24 PolarHBondContact O-N 2.74Å
25W86.8Confident90.8Very high76 Ų7633.5 Ų33.529%0.28818%0.176SC..Hα-helixtrans-86.5-6.1178-66.5-37.2000113.2D21 F22 D23 Q27 P279D21-W25 HydrophobicContact CB-CD2 4.18Å; D21-W25 HydrophobicContact CB-CE3 3.61Å; D21-W25 HydrophobicContact CB-CH2 3.55Å; D21-W25 HydrophobicContact CB-CZ2 4.07Å; D21-W25 HydrophobicContact CB-CZ3 3.19Å; D21-W25 WeakPolarHBondContact O-CB 3.48Å; D21-W25 PolarHBondContact O-N 3.46Å; F22-W25 HydrophobicContact CD1-CE3 4.17Å; F22-W25 HydrophobicContact CD1-CZ3 4.41Å; F22-W25 PolarHBondContact O-N 2.92Å; D23-W25 VanDerWaalsContact C-N 3.26Å; D23-W25 PolarHBondContact O-N 3.12Å; W25-Q27 VanDerWaalsContact C-N 3.31Å; W25-Q27 HydrophobicContact CB-CG 4.43Å; W25-P279 HydrophobicContact CD2-CB 4.38Å; W25-P279 HydrophobicContact CD2-CG 3.88Å; W25-P279 HydrophobicContact CE3-CB 3.64Å; W25-P279 HydrophobicContact CE3-CG 2.94Å; W25-P279 HydrophobicContact CH2-CG 3.61Å; W25-P279 HydrophobicContact CZ2-CG 4.43Å; W25-P279 HydrophobicContact CZ3-CB 4.01Å; W25-P279 HydrophobicContact CZ3-CG 2.82Å
26G83.6Confident90.8Very high47 Ų4736 Ų3649%0.48519%0.188SC..THydrogen-bonded Turntrans78.512.1-176.200000114.2F22 D23 L28F22-G26 PolarHBondContact O-N 2.88Å; F22-G26 VanDerWaalsContact O-N 3.12Å; D23-G26 PolarHBondContact O-N 2.97Å; D23-G26 VanDerWaalsContact O-N 3.13Å; G26-L28 PolarHBondContact O-N 2.83Å
27Q83.7Confident90.5Very high13 Ų1336.4 Ų36.46%0.06119%0.19CC..  trans-82.466.8171.8-61.5-70.8-19.400108.7F22 W25 V29 E30 A31 E242 T255 P279 T280F22-Q27 HydrophobicContact CB-CB 4.18Å; F22-Q27 HydrophobicContact CD1-CB 4.27Å; F22-Q27 PolarHBondContact O-N 3.4Å; W25-Q27 VanDerWaalsContact C-N 3.31Å; W25-Q27 HydrophobicContact CB-CG 4.43Å; Q27-V29 VanDerWaalsContact C-N 3.28Å; Q27-V29 PolarHBondContact O-N 2.96Å; Q27-E30 HydrophobicContact CB-CB 4.18Å; Q27-E30 PolarHBondContact O-N 2.89Å; Q27-E30 PolarHBondContact OE1-OE2 3.45Å; Q27-A31 WeakPolarHBondContact O-CB 3.22Å; Q27-A31 PolarHBondContact O-N 2.84Å; Q27-E242 PolarHBondContact NE2-OE1 3.39Å; Q27-T255 PolarHBondContact OE1-OG1 3.29Å; Q27-P279 HydrophobicContact CG-CB 3.94Å; Q27-T280 PolarHBondContact NE2-OG1 2.95Å
28L88.8Confident90.6Very high79 Ų7931.1 Ų31.141%0.41417%0.17SC..Hα-helixtrans-61.3-37.1-167.8-50.8-175.9000112.1G26 A31 I32 L77G26-L28 PolarHBondContact O-N 2.83Å; L28-A31 PolarHBondContact O-N 3.16Å; L28-I32 WeakPolarHBondContact O-CB 3.23Å; L28-I32 VanDerWaalsContact O-CD1 3.27Å; L28-I32 WeakPolarHBondContact O-CD1 3.43Å; L28-I32 WeakPolarHBondContact O-CG1 3.47Å; L28-I32 PolarHBondContact O-N 3.38Å; L28-L77 HydrophobicContact CD2-CD2 3.88Å
29V85.3Confident90.7Very high69 Ų6927.9 Ų27.942%0.41816%0.158SC..Hα-helixtrans-65.7-47.5179.8-179.40000110.7Q27 A31 I32 D33 F252Q27-V29 VanDerWaalsContact C-N 3.28Å; Q27-V29 PolarHBondContact O-N 2.96Å; V29-A31 VanDerWaalsContact C-N 3.34Å; V29-A31 PolarHBondContact O-N 3.37Å; V29-I32 PolarHBondContact O-N 2.92Å; V29-D33 PolarHBondContact O-N 3.18Å; V29-F252 HydrophobicContact CG1-CB 4.06Å; V29-F252 HydrophobicContact CG1-CD2 3.37Å; V29-F252 HydrophobicContact CG1-CE2 3.92Å; V29-F252 HydrophobicContact CG1-CG 3.87Å
30E88.2Confident90.6Very high13 Ų1331.9 Ų31.96%0.06117%0.173CC..Hα-helixtrans-63.3-38.9175.4-72.977.4-177.900112.1F22 Q27 D33 E34 S254 T255F22-E30 HydrophobicContact CB-CB 4.16Å; F22-E30 HydrophobicContact CD1-CB 3.92Å; F22-E30 HydrophobicContact CD2-CB 3.64Å; F22-E30 HydrophobicContact CE1-CB 4.19Å; F22-E30 HydrophobicContact CE2-CB 3.91Å; F22-E30 HydrophobicContact CG-CB 3.67Å; F22-E30 HydrophobicContact CZ-CB 4.2Å; Q27-E30 HydrophobicContact CB-CB 4.18Å; Q27-E30 PolarHBondContact O-N 2.89Å; Q27-E30 PolarHBondContact OE1-OE2 3.45Å; E30-D33 PolarHBondContact O-N 3.11Å; E30-E34 WeakPolarHBondContact O-CB 3.44Å; E30-E34 PolarHBondContact O-N 3.04Å; E30-S254 WeakPolarHBondContact OE1-CA 3.45Å; E30-S254 PolarHBondContact OE1-OG 2.85Å; E30-T255 PolarHBondContact OE1-N 3.21Å
31A90.9Very high90.5Very high0 Ų034 Ų340%018%0.182CC..Hα-helixtrans-61.7-48.5175.400000111.5F22 D23 Q27 L28 V29 D33 E34 Y35 L77F22-A31 HydrophobicContact CB-CB 3.78Å; D23-A31 HydrophobicContact CB-CB 3.86Å; Q27-A31 WeakPolarHBondContact O-CB 3.22Å; Q27-A31 PolarHBondContact O-N 2.84Å; L28-A31 PolarHBondContact O-N 3.16Å; V29-A31 VanDerWaalsContact C-N 3.34Å; V29-A31 PolarHBondContact O-N 3.37Å; A31-D33 PolarHBondContact O-N 3.47Å; A31-E34 PolarHBondContact O-N 2.84Å; A31-Y35 HydrophobicContact CB-CE2 4.13Å; A31-Y35 WeakPolarHBondContact O-CB 3.17Å; A31-Y35 WeakPolarHBondContact O-CD2 3.42Å; A31-Y35 PolarHBondContact O-N 2.96Å; A31-L77 HydrophobicContact CB-CD1 3.91Å
32I91.5Very high90.7Very high20 Ų2030.8 Ų30.810%0.10317%0.165CC..Hα-helixtrans-57.6-48.8177.2-71.1159.5000110.9L28 V29 Y35 Q36 L77 Q78L28-I32 WeakPolarHBondContact O-CB 3.23Å; L28-I32 VanDerWaalsContact O-CD1 3.27Å; L28-I32 WeakPolarHBondContact O-CD1 3.43Å; L28-I32 WeakPolarHBondContact O-CG1 3.47Å; L28-I32 PolarHBondContact O-N 3.38Å; V29-I32 PolarHBondContact O-N 2.92Å; I32-Y35 PolarHBondContact O-N 2.81Å; I32-Q36 HydrophobicContact CG2-CG 4.35Å; I32-Q36 WeakPolarHBondContact O-CB 3.44Å; I32-Q36 VanDerWaalsContact O-CG 3.26Å; I32-Q36 WeakPolarHBondContact O-CG 3.27Å; I32-Q36 PolarHBondContact O-N 3.19Å; I32-L77 HydrophobicContact CD1-CB 3.7Å; I32-L77 HydrophobicContact CG1-CB 3.53Å; I32-L77 HydrophobicContact CG1-CD1 3.91Å; I32-L77 HydrophobicContact CG1-CG 4.39Å; I32-Q78 HydrophobicContact CD1-CG 3.58Å; I32-Q78 HydrophobicContact CG1-CG 4.3Å; I32-Q78 HydrophobicContact CG2-CG 4.42Å
33D89.7Confident90.7Very high29 Ų2930.7 Ų30.716%0.15516%0.164CC..Hα-helixtrans-61.5-48.8-178.7-171.850.8000111V29 E30 A31 Y35 Q36 I37 F252V29-D33 PolarHBondContact O-N 3.18Å; E30-D33 PolarHBondContact O-N 3.11Å; A31-D33 PolarHBondContact O-N 3.47Å; D33-Y35 PolarHBondContact O-N 3.17Å; D33-Q36 PolarHBondContact O-N 3.29Å; D33-I37 WeakPolarHBondContact O-CB 3.44Å; D33-I37 VanDerWaalsContact O-CG1 3.26Å; D33-I37 WeakPolarHBondContact O-CG1 3.43Å; D33-I37 PolarHBondContact O-N 2.91Å; D33-I37 WeakPolarHBondContact OD2-CD1 3.3Å; D33-F252 HydrophobicContact CB-CE1 3.99Å; D33-F252 HydrophobicContact CB-CZ 4.31Å; D33-F252 WeakPolarHBondContact OD2-CE1 3.3Å
34E93Very high90.7Very high18 Ų1836.9 Ų36.98%0.08419%0.191CC..Hα-helixtrans-62.3-42.4-179.8-166.671.2-148.200111.6S15 R18 F22 E30 A31 I37 L38S15-E34 WeakPolarHBondContact CA-OE1 3.22Å; S15-E34 VanDerWaalsContact CB-OE1 3.24Å; S15-E34 WeakPolarHBondContact CB-OE1 3.35Å; S15-E34 WeakPolarHBondContact O-CG 3.14Å; S15-E34 PolarHBondContact OG-OE1 3.37Å; R18-E34 HydrophobicContact CB-CG 4.34Å; R18-E34 WeakPolarHBondContact CD-OE2 3.27Å; R18-E34 IonicContact NH1-OE1 3.24Å; R18-E34 PolarHBondContact NH1-OE1 2.85Å; R18-E34 IonicContact NH1-OE2 3.53Å; R18-E34 PolarHBondContact NH1-OE2 3.32Å; F22-E34 HydrophobicContact CD2-CB 4.37Å; F22-E34 HydrophobicContact CE2-CB 4.48Å; E30-E34 WeakPolarHBondContact O-CB 3.44Å; E30-E34 PolarHBondContact O-N 3.04Å; A31-E34 PolarHBondContact O-N 2.84Å; E34-I37 PolarHBondContact O-N 2.75Å; E34-L38 WeakPolarHBondContact O-CB 3.37Å; E34-L38 PolarHBondContact O-N 2.92Å
35Y95.1Very high90.8Very high0 Ų035.7 Ų35.70%018%0.179CC..Hα-helixtrans-65.5-41.3175.7-67.4-26.8000113G19 A20 D23 A31 I32 D33 L38 A39 L70 R73 S74 L77 L91G19-Y35 VanDerWaalsContact C-CZ 3.45Å; G19-Y35 VanDerWaalsContact C-OH 3.23Å; G19-Y35 PolarHBondContact O-OH 2.53Å; A20-Y35 WeakPolarHBondContact CA-OH 3.38Å; A20-Y35 PolarHBondContact N-OH 2.91Å; D23-Y35 HydrophobicContact CB-CE2 4.3Å; D23-Y35 WeakPolarHBondContact CB-OH 3.27Å; D23-Y35 PolarHBondContact OD2-OH 3.47Å; A31-Y35 HydrophobicContact CB-CE2 4.13Å; A31-Y35 WeakPolarHBondContact O-CB 3.17Å; A31-Y35 WeakPolarHBondContact O-CD2 3.42Å; A31-Y35 PolarHBondContact O-N 2.96Å; I32-Y35 PolarHBondContact O-N 2.81Å; D33-Y35 PolarHBondContact O-N 3.17Å; Y35-L38 PolarHBondContact O-N 3.25Å; Y35-A39 WeakPolarHBondContact O-CB 3.37Å; Y35-A39 PolarHBondContact O-N 3.42Å; Y35-L70 HydrophobicContact CD1-CD2 3.51Å; Y35-L70 HydrophobicContact CE1-CD2 4.15Å; Y35-L70 HydrophobicContact CG-CD2 3.99Å; Y35-R73 HydrophobicContact CD2-CB 4.35Å; Y35-R73 HydrophobicContact CD2-CG 3.99Å; Y35-R73 HydrophobicContact CE2-CB 4.39Å; Y35-R73 HydrophobicContact CE2-CG 3.6Å; Y35-S74 WeakPolarHBondContact CB-OG 3.42Å; Y35-L77 HydrophobicContact CD2-CD1 4.02Å; Y35-L77 HydrophobicContact CE2-CD1 3.79Å; Y35-L91 HydrophobicContact CD1-CD2 4.31Å; Y35-L91 HydrophobicContact CE1-CD2 3.51Å; Y35-L91 HydrophobicContact CE2-CD2 3.9Å; Y35-L91 WeakPolarHBondContact OH-CD2 3.42Å
36Q93.5Very high91Very high56 Ų5633 Ų3326%0.26217%0.173SC..Hα-helixtrans-66.2-41.8176.8-74.8-178.26.400111.9I32 D33 A39 R40I32-Q36 HydrophobicContact CG2-CG 4.35Å; I32-Q36 WeakPolarHBondContact O-CB 3.44Å; I32-Q36 VanDerWaalsContact O-CG 3.26Å; I32-Q36 WeakPolarHBondContact O-CG 3.27Å; I32-Q36 PolarHBondContact O-N 3.19Å; D33-Q36 PolarHBondContact O-N 3.29Å; Q36-A39 PolarHBondContact O-N 3.05Å; Q36-R40 VanDerWaalsContact O-CG 3.31Å; Q36-R40 WeakPolarHBondContact O-CG 3.27Å; Q36-R40 PolarHBondContact O-N 2.77Å
37I92.2Very high91.2Very high7 Ų735 Ų354%0.03617%0.17CC..Hα-helixtrans-61.4-49.3175.8-69.3165.9000109.9D33 E34 A39 R40 H41D33-I37 WeakPolarHBondContact O-CB 3.44Å; D33-I37 VanDerWaalsContact O-CG1 3.26Å; D33-I37 WeakPolarHBondContact O-CG1 3.43Å; D33-I37 PolarHBondContact O-N 2.91Å; D33-I37 WeakPolarHBondContact OD2-CD1 3.3Å; E34-I37 PolarHBondContact O-N 2.75Å; I37-A39 PolarHBondContact O-N 3.19Å; I37-R40 PolarHBondContact O-N 2.82Å; I37-H41 PolarHBondContact O-N 2.9Å; I37-H41 VanDerWaalsContact O-N 3.12Å
38L95.7Very high91.3Very high0 Ų035.3 Ų35.30%018%0.175CC..Hα-helixtrans-62.1-44.9178.2-178.158.8000111.9W12 F16 E34 Y35 R40 H41 L42 L70W12-L38 HydrophobicContact CB-CD1 3.91Å; W12-L38 HydrophobicContact CG-CD1 3.91Å; F16-L38 HydrophobicContact CB-CD2 3.71Å; F16-L38 HydrophobicContact CD2-CD2 4.12Å; F16-L38 HydrophobicContact CG-CD2 4.43Å; E34-L38 WeakPolarHBondContact O-CB 3.37Å; E34-L38 PolarHBondContact O-N 2.92Å; Y35-L38 PolarHBondContact O-N 3.25Å; L38-R40 VanDerWaalsContact C-N 3.31Å; L38-R40 PolarHBondContact O-N 2.89Å; L38-H41 PolarHBondContact O-N 3.09Å; L38-L42 HydrophobicContact CD1-CD1 4.34Å; L38-L42 HydrophobicContact CD1-CD2 4.49Å; L38-L42 HydrophobicContact CD1-CG 4.16Å; L38-L42 HydrophobicContact CG-CD1 4.03Å; L38-L42 HydrophobicContact CG-CG 4.3Å; L38-L42 VanDerWaalsContact O-CG 3.3Å; L38-L42 WeakPolarHBondContact O-CG 3.17Å; L38-L42 PolarHBondContact O-N 3.44Å; L38-L70 HydrophobicContact CB-CD1 4.12Å; L38-L70 HydrophobicContact CD2-CD1 3.72Å; L38-L70 HydrophobicContact CD2-CD2 4.35Å; L38-L70 HydrophobicContact CG-CD1 3.7Å
39A95.3Very high90.8Very high1 Ų138.6 Ų38.61%0.00819%0.188CC..Hα-helixtrans-57.5-42.8178.300000111.9Y35 Q36 I37 L42 Q43 A67 L70 E71Y35-A39 WeakPolarHBondContact O-CB 3.37Å; Y35-A39 PolarHBondContact O-N 3.42Å; Q36-A39 PolarHBondContact O-N 3.05Å; I37-A39 PolarHBondContact O-N 3.19Å; A39-L42 PolarHBondContact O-N 3.23Å; A39-Q43 WeakPolarHBondContact O-CB 3.28Å; A39-Q43 WeakPolarHBondContact O-CG 3.49Å; A39-Q43 PolarHBondContact O-N 3.43Å; A39-A67 HydrophobicContact CB-CB 4.36Å; A39-L70 HydrophobicContact CB-CB 3.93Å; A39-L70 HydrophobicContact CB-CD1 4.33Å; A39-E71 HydrophobicContact CB-CG 4.02Å
40R91.8Very high90Very high84 Ų8441.5 Ų41.532%0.31720%0.197SC..Hα-helixtrans-62.6-44.3175.9-71.7175.4-163.1137.19112.1Q36 I37 L38 L42 Q43 K44Q36-R40 VanDerWaalsContact O-CG 3.31Å; Q36-R40 WeakPolarHBondContact O-CG 3.27Å; Q36-R40 PolarHBondContact O-N 2.77Å; I37-R40 PolarHBondContact O-N 2.82Å; L38-R40 VanDerWaalsContact C-N 3.31Å; L38-R40 PolarHBondContact O-N 2.89Å; R40-L42 PolarHBondContact O-N 2.86Å; R40-Q43 PolarHBondContact O-N 2.89Å; R40-K44 WeakPolarHBondContact O-CB 3.21Å; R40-K44 PolarHBondContact O-N 2.9Å
41H92.6Very high89.1Confident50 Ų5048.2 Ų48.223%0.23123%0.233CC..Hα-helixtrans-62-43.1176.6-70.2160.7000112.1I37 L38 K44 E45 F131I37-H41 PolarHBondContact O-N 2.9Å; I37-H41 VanDerWaalsContact O-N 3.12Å; L38-H41 PolarHBondContact O-N 3.09Å; H41-K44 PolarHBondContact O-N 2.91Å; H41-E45 PolarHBondContact O-N 3.15Å; H41-E45 VanDerWaalsContact O-N 3.15Å; H41-F131 AromaticContact CE1-CD2 3.93Å; H41-F131 AromaticContact CE1-CE2 3.51Å; H41-F131 AromaticContact CE1-CZ 3.72Å; H41-F131 AromaticContact ND1-CE1 3.74Å; H41-F131 AromaticContact ND1-CE2 3.2Å; H41-F131 WeakPolarHBondContact ND1-CE2 3.23Å; H41-F131 AromaticContact ND1-CZ 3.02Å; H41-F131 WeakPolarHBondContact ND1-CZ 3.13Å
42L94.3Very high88.4Confident0 Ų054 Ų540%026%0.264CS..Hα-helixtrans-64.8-42.2175.5-65.4175.3000111.5W12 L38 A39 R40 K44 E45 A46 I63 I66 A67 L70 L98W12-L42 HydrophobicContact CD2-CD2 3.46Å; W12-L42 VanDerWaalsContact CD2-CD2 3.46Å; W12-L42 HydrophobicContact CE3-CD2 3.33Å; W12-L42 HydrophobicContact CG-CD2 4.13Å; W12-L42 HydrophobicContact CH2-CD2 3.72Å; W12-L42 HydrophobicContact CZ2-CD2 3.87Å; W12-L42 HydrophobicContact CZ3-CD2 3.48Å; W12-L42 VanDerWaalsContact CZ3-CD2 3.48Å; L38-L42 HydrophobicContact CD1-CD1 4.34Å; L38-L42 HydrophobicContact CD1-CD2 4.49Å; L38-L42 HydrophobicContact CD1-CG 4.16Å; L38-L42 HydrophobicContact CG-CD1 4.03Å; L38-L42 HydrophobicContact CG-CG 4.3Å; L38-L42 VanDerWaalsContact O-CG 3.3Å; L38-L42 WeakPolarHBondContact O-CG 3.17Å; L38-L42 PolarHBondContact O-N 3.44Å; A39-L42 PolarHBondContact O-N 3.23Å; R40-L42 PolarHBondContact O-N 2.86Å; L42-K44 PolarHBondContact O-N 3Å; L42-E45 PolarHBondContact O-N 2.83Å; L42-A46 VanDerWaalsContact O-CB 3.31Å; L42-A46 WeakPolarHBondContact O-CB 3.44Å; L42-A46 PolarHBondContact O-N 2.82Å; L42-I63 HydrophobicContact CB-CG2 3.75Å; L42-I63 HydrophobicContact CD2-CG2 3.86Å; L42-I63 HydrophobicContact CG-CG2 4.37Å; L42-I63 WeakPolarHBondContact O-CG2 3.24Å; L42-I66 HydrophobicContact CD1-CB 4.14Å; L42-I66 HydrophobicContact CD1-CG2 3.6Å; L42-A67 HydrophobicContact CB-CB 3.79Å; L42-A67 HydrophobicContact CD1-CB 4.4Å; L42-L70 HydrophobicContact CD1-CD1 3.59Å; L42-L98 HydrophobicContact CD2-CD1 4.05Å
43Q91.9Very high87.9Confident9 Ų953.8 Ų53.84%0.04226%0.264CS..Hα-helixtrans-62.3-41.5175.9-79.3171.3-3.200112.4A39 R40 E45 A46 Q47 A67 E71 L117A39-Q43 WeakPolarHBondContact O-CB 3.28Å; A39-Q43 WeakPolarHBondContact O-CG 3.49Å; A39-Q43 PolarHBondContact O-N 3.43Å; R40-Q43 PolarHBondContact O-N 2.89Å; Q43-E45 VanDerWaalsContact C-N 3.3Å; Q43-E45 PolarHBondContact O-N 2.86Å; Q43-A46 PolarHBondContact O-N 3Å; Q43-Q47 WeakPolarHBondContact O-CB 3.48Å; Q43-Q47 WeakPolarHBondContact O-CG 3.26Å; Q43-Q47 PolarHBondContact O-N 2.83Å; Q43-A67 HydrophobicContact CG-CB 3.74Å; Q43-E71 VanDerWaalsContact NE2-CD 3.26Å; Q43-E71 PolarHBondContact NE2-OE1 2.94Å; Q43-L117 HydrophobicContact CB-CD2 3.8Å; Q43-L117 HydrophobicContact CB-CG 4.16Å
44K90.8Very high87.7Confident143 Ų14357.3 Ų57.362%0.62228%0.279SS*.Hα-helixtrans-59.1-43.2176.1-172.5174.6-179.3174.30111.1R40 H41 L42 A48R40-K44 WeakPolarHBondContact O-CB 3.21Å; R40-K44 PolarHBondContact O-N 2.9Å; H41-K44 PolarHBondContact O-N 2.91Å; L42-K44 PolarHBondContact O-N 3Å; K44-A48 PolarHBondContact O-N 2.9Å; K44-A48 VanDerWaalsContact O-N 3.07Å
45E91.4Very high87.5Confident35 Ų3556.6 Ų56.616%0.16428%0.276CS..Hα-helixtrans-71.2-41176.3-163.766.6-152.200112.4W12 H41 L42 Q43 Q47 A48 S53 F55 I63W12-E45 HydrophobicContact CH2-CB 3.7Å; W12-E45 HydrophobicContact CH2-CG 3.77Å; W12-E45 HydrophobicContact CZ2-CB 3.91Å; W12-E45 HydrophobicContact CZ2-CG 4.28Å; H41-E45 PolarHBondContact O-N 3.15Å; H41-E45 VanDerWaalsContact O-N 3.15Å; L42-E45 PolarHBondContact O-N 2.83Å; Q43-E45 VanDerWaalsContact C-N 3.3Å; Q43-E45 PolarHBondContact O-N 2.86Å; E45-Q47 PolarHBondContact O-N 2.85Å; E45-A48 WeakPolarHBondContact O-CB 3.37Å; E45-A48 PolarHBondContact O-N 2.86Å; E45-S53 WeakPolarHBondContact OE1-CB 3.17Å; E45-S53 PolarHBondContact OE1-OG 3.09Å; E45-F55 HydrophobicContact CG-CD2 3.51Å; E45-F55 HydrophobicContact CG-CE2 3.67Å; E45-F55 WeakPolarHBondContact OE1-CD2 3.3Å; E45-I63 HydrophobicContact CB-CG2 4.49Å; E45-I63 HydrophobicContact CG-CD1 4.41Å
46A91.4Very high87.3Confident21 Ų2159.8 Ų59.817%0.17430%0.296CS..Hα-helixtrans-62.9-27.6178.800000112.9L42 Q43 K60 I63L42-A46 VanDerWaalsContact O-CB 3.31Å; L42-A46 WeakPolarHBondContact O-CB 3.44Å; L42-A46 PolarHBondContact O-N 2.82Å; Q43-A46 PolarHBondContact O-N 3Å; A46-K60 WeakPolarHBondContact CB-O 3.49Å; A46-I63 HydrophobicContact CB-CB 4.45Å; A46-I63 HydrophobicContact CB-CG2 4.09Å
47Q87.8Confident87.1Confident88 Ų8862.4 Ų62.441%0.41131%0.308SS..THydrogen-bonded Turntrans-103.60.2179.8-62.8177.622.500113.1Q43 E45 Q49 V115 L117Q43-Q47 WeakPolarHBondContact O-CB 3.48Å; Q43-Q47 WeakPolarHBondContact O-CG 3.26Å; Q43-Q47 PolarHBondContact O-N 2.83Å; E45-Q47 PolarHBondContact O-N 2.85Å; Q47-Q49 PolarHBondContact O-N 2.64Å; Q47-V115 PolarHBondContact NE2-O 3.06Å; Q47-L117 VanDerWaalsContact OE1-CB 3.29Å
48A86.2Confident87Confident20 Ų2068.4 Ų68.417%0.16534%0.336CS..  trans-61.5132177.200000110.3K44 E45 N52 K60K44-A48 PolarHBondContact O-N 2.9Å; K44-A48 VanDerWaalsContact O-N 3.07Å; E45-A48 WeakPolarHBondContact O-CB 3.37Å; E45-A48 PolarHBondContact O-N 2.86Å; A48-N52 HydrophobicContact CB-CB 4.42Å; A48-K60 PolarHBondContact O-NZ 3.49Å
49Q78.3Confident86.9Confident147 Ų14769.7 Ų69.769%0.68734%0.342SS*.  trans-57.9155.1174.5-68.5-174.1-25.100110.6Q47 N51 N52Q47-Q49 PolarHBondContact O-N 2.64Å; Q49-N51 PolarHBondContact O-N 3.38Å; Q49-N52 PolarHBondContact O-N 3.46Å
50H69.2Low86.7Confident131 Ų13170 Ų7061%0.60634%0.343SS*.G310 helixtrans-55.9-27.6-171.3-150-18.5000114.1N52H50-N52 VanDerWaalsContact C-N 3.33Å
51N69.2Low86.7Confident154 Ų15471.7 Ų71.782%0.82435%0.352SS*.G310 helixtrans-79.8-13.2179.6-58.9-7.6000113.7Q49Q49-N51 PolarHBondContact O-N 3.38Å
52N75.5Confident86.8Confident122 Ų12270 Ų7065%0.65235%0.346SS*.G310 helixtrans-111.31.5-172.5-68.1-2.9000113.3A48 Q49 H50A48-N52 HydrophobicContact CB-CB 4.42Å; Q49-N52 PolarHBondContact O-N 3.46Å; H50-N52 VanDerWaalsContact C-N 3.33Å
53S80.3Confident86.9Confident14 Ų1470 Ų7010%0.09835%0.346CS..  trans-138.6134.1-176.1-177.50000111.2E45 F55 K60E45-S53 WeakPolarHBondContact OE1-CB 3.17Å; E45-S53 PolarHBondContact OE1-OG 3.09Å; S53-F55 VanDerWaalsContact C-N 3.25Å; S53-F55 PolarHBondContact OG-N 2.84Å; S53-K60 VanDerWaalsContact CB-CE 3.42Å; S53-K60 VanDerWaalsContact OG-CE 3.29Å; S53-K60 WeakPolarHBondContact OG-CE 3.34Å
54E86.2Confident87Confident104 Ų10469.7 Ų69.749%0.48635%0.345SS..SBendtrans-80.3-6.6173.1-72-173.6-157.900113.1S2 T5S2-E54 WeakPolarHBondContact CB-OE1 3.34Å; S2-E54 WeakPolarHBondContact CB-OE2 3.4Å; S2-E54 PolarHBondContact N-OE2 3.17Å; S2-E54 PolarHBondContact OG-OE1 3.31Å; S2-E54 PolarHBondContact OG-OE2 2.94Å; T5-E54 PolarHBondContact OG1-OE2 3.47Å
55F89.8Confident87.2Confident3 Ų364.4 Ų64.41%0.01332%0.322CS..SBendtrans-83.9140.8-179.2-63.5-78.8000111.5T5 L8 L9 W12 E45 S53 Q59 K60 I63 I101 L102T5-F55 HydrophobicContact CG2-CE1 4.06Å; T5-F55 HydrophobicContact CG2-CE2 4.45Å; T5-F55 HydrophobicContact CG2-CZ 3.79Å; L8-F55 HydrophobicContact CD2-CE2 4.03Å; L8-F55 HydrophobicContact CD2-CZ 4.45Å; L9-F55 HydrophobicContact CD2-CE1 4.17Å; L9-F55 HydrophobicContact CD2-CZ 3.99Å; L9-F55 HydrophobicContact CG-CZ 4.43Å; W12-F55 HydrophobicContact CH2-CE2 4.22Å; W12-F55 HydrophobicContact CH2-CZ 4.42Å; W12-F55 HydrophobicContact CZ3-CE2 4.43Å; W12-F55 HydrophobicContact CZ3-CZ 4.18Å; E45-F55 HydrophobicContact CG-CD2 3.51Å; E45-F55 HydrophobicContact CG-CE2 3.67Å; E45-F55 WeakPolarHBondContact OE1-CD2 3.3Å; S53-F55 VanDerWaalsContact C-N 3.25Å; S53-F55 PolarHBondContact OG-N 2.84Å; F55-Q59 VanDerWaalsContact CA-OE1 3.32Å; F55-Q59 HydrophobicContact CB-CB 3.99Å; F55-Q59 HydrophobicContact CD1-CB 4.15Å; F55-K60 HydrophobicContact CB-CG 3.96Å; F55-K60 WeakPolarHBondContact O-CE 3.29Å; F55-I63 HydrophobicContact CB-CD1 4.29Å; F55-I63 HydrophobicContact CD1-CD1 3.85Å; F55-I63 HydrophobicContact CD2-CD1 3.96Å; F55-I63 HydrophobicContact CE1-CD1 4.12Å; F55-I63 HydrophobicContact CE2-CD1 4.23Å; F55-I63 HydrophobicContact CG-CD1 3.76Å; F55-I63 HydrophobicContact CZ-CD1 4.29Å; F55-I101 HydrophobicContact CD1-CG2 4.48Å; F55-I101 HydrophobicContact CE1-CG2 3.81Å; F55-L102 HydrophobicContact CD1-CD2 3.83Å; F55-L102 HydrophobicContact CE1-CD2 3.68Å
56T90.7Very high87.5Confident67 Ų6762.8 Ų62.841%0.41131%0.314SS..  trans-67.8160171.470.90000110.7E58 Q59 K60T56-E58 PolarHBondContact O-N 2.73Å; T56-Q59 WeakPolarHBondContact O-CB 3.47Å; T56-Q59 PolarHBondContact O-N 3.12Å; T56-Q59 VanDerWaalsContact OG1-CG 3.25Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.46Å; T56-Q59 PolarHBondContact OG1-N 3.29Å; T56-K60 WeakPolarHBondContact O-CG 3.46Å; T56-K60 PolarHBondContact O-N 3.35Å
57E89.4Confident87.7Confident110 Ų11061.8 Ų61.851%0.51431%0.306SS..Hα-helixtrans-59.7-32178.1-65.8-58.612300112.9K60 K61E57-K60 IonicContact OE1-NZ 3.73Å; E57-K60 PolarHBondContact OE1-NZ 2.64Å; E57-K61 WeakPolarHBondContact O-CB 3.38Å; E57-K61 PolarHBondContact O-N 3Å
58E90.3Very high88Confident133 Ų13358 Ų5862%0.62129%0.289SS*.Hα-helixtrans-67.3-41.7173-175.3175.4-164.400112.2T56 K61 T62T56-E58 PolarHBondContact O-N 2.73Å; E58-K61 PolarHBondContact O-N 3.13Å; E58-T62 PolarHBondContact O-N 2.93Å; E58-T62 VanDerWaalsContact O-N 3.1Å; E58-T62 PolarHBondContact O-OG1 2.93Å; E58-T62 VanDerWaalsContact O-OG1 3.12Å
59Q92.7Very high88.5Confident28 Ų2857 Ų5713%0.13128%0.281CS..Hα-helixtrans-65.6-44.4175.4-69.9165.5-5.800110.7F55 T56 K61 T62 I63 L102F55-Q59 VanDerWaalsContact CA-OE1 3.32Å; F55-Q59 HydrophobicContact CB-CB 3.99Å; F55-Q59 HydrophobicContact CD1-CB 4.15Å; T56-Q59 WeakPolarHBondContact O-CB 3.47Å; T56-Q59 PolarHBondContact O-N 3.12Å; T56-Q59 VanDerWaalsContact OG1-CG 3.25Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.46Å; T56-Q59 PolarHBondContact OG1-N 3.29Å; Q59-K61 VanDerWaalsContact C-N 3.33Å; Q59-K61 PolarHBondContact O-N 3.47Å; Q59-T62 CarbonylContact O-C 3.37Å; Q59-T62 WeakPolarHBondContact O-CA 3.43Å; Q59-T62 WeakPolarHBondContact O-CB 3.44Å; Q59-T62 PolarHBondContact O-N 3.17Å; Q59-T62 VanDerWaalsContact O-N 3.09Å; Q59-I63 VanDerWaalsContact O-CG1 3.28Å; Q59-I63 WeakPolarHBondContact O-CG1 3.12Å; Q59-I63 PolarHBondContact O-N 2.99Å; Q59-L102 PolarHBondContact NE2-O 3.08Å
60K92Very high89.3Confident6 Ų650 Ų503%0.02625%0.248CC..Hα-helixtrans-59.3-41.2174.8-71.8-177.8-1711690112.5A46 A48 S53 F55 T56 E57 T62 I63 G64A46-K60 WeakPolarHBondContact CB-O 3.49Å; A48-K60 PolarHBondContact O-NZ 3.49Å; S53-K60 VanDerWaalsContact CB-CE 3.42Å; S53-K60 VanDerWaalsContact OG-CE 3.29Å; S53-K60 WeakPolarHBondContact OG-CE 3.34Å; F55-K60 HydrophobicContact CB-CG 3.96Å; F55-K60 WeakPolarHBondContact O-CE 3.29Å; T56-K60 WeakPolarHBondContact O-CG 3.46Å; T56-K60 PolarHBondContact O-N 3.35Å; E57-K60 IonicContact OE1-NZ 3.73Å; E57-K60 PolarHBondContact OE1-NZ 2.64Å; K60-T62 VanDerWaalsContact C-N 3.3Å; K60-T62 PolarHBondContact O-N 3.37Å; K60-I63 PolarHBondContact O-N 2.7Å; K60-G64 PolarHBondContact O-N 3.39Å
61K92Very high90.4Very high120 Ų12046.9 Ų46.952%0.52223%0.234SC..Hα-helixtrans-59.3-43.3173.8-173.6176.2-176.7178.90111.2E57 E58 Q59 G64 K65 P114E57-K61 WeakPolarHBondContact O-CB 3.38Å; E57-K61 PolarHBondContact O-N 3Å; E58-K61 PolarHBondContact O-N 3.13Å; Q59-K61 VanDerWaalsContact C-N 3.33Å; Q59-K61 PolarHBondContact O-N 3.47Å; K61-G64 PolarHBondContact O-N 3.45Å; K61-K65 WeakPolarHBondContact O-CG 3.4Å; K61-K65 PolarHBondContact O-N 2.94Å; K61-P114 HydrophobicContact CG-CG 4.5Å
62T94.2Very high91.6Very high15 Ų1543.2 Ų43.29%0.09221%0.214CC..Hα-helixtrans-65.9-44.6176.7-56.50000111.6E58 Q59 K60 G64 K65 I66 I97 I101 Y104 F108E58-T62 PolarHBondContact O-N 2.93Å; E58-T62 VanDerWaalsContact O-N 3.1Å; E58-T62 PolarHBondContact O-OG1 2.93Å; E58-T62 VanDerWaalsContact O-OG1 3.12Å; Q59-T62 CarbonylContact O-C 3.37Å; Q59-T62 WeakPolarHBondContact O-CA 3.43Å; Q59-T62 WeakPolarHBondContact O-CB 3.44Å; Q59-T62 PolarHBondContact O-N 3.17Å; Q59-T62 VanDerWaalsContact O-N 3.09Å; K60-T62 VanDerWaalsContact C-N 3.3Å; K60-T62 PolarHBondContact O-N 3.37Å; T62-G64 VanDerWaalsContact C-N 3.32Å; T62-G64 PolarHBondContact O-N 2.86Å; T62-K65 WeakPolarHBondContact O-CB 3.29Å; T62-K65 PolarHBondContact O-N 3.27Å; T62-I66 HydrophobicContact CG2-CD1 4.45Å; T62-I66 WeakPolarHBondContact O-CG1 3.35Å; T62-I66 PolarHBondContact O-N 3.26Å; T62-I97 HydrophobicContact CG2-CG2 3.8Å; T62-I101 HydrophobicContact CG2-CD1 3.36Å; T62-Y104 HydrophobicContact CG2-CD1 3.82Å; T62-Y104 HydrophobicContact CG2-CE1 4.04Å; T62-F108 HydrophobicContact CG2-CD2 3.93Å; T62-F108 HydrophobicContact CG2-CE2 4.01Å
63I94.8Very high92.5Very high0 Ų038.7 Ų38.70%019%0.188CC..Hα-helixtrans-56-47174.3-69.9167.6000110.6W12 L42 E45 A46 F55 Q59 K60 K65 I66 A67 I101W12-I63 HydrophobicContact CH2-CD1 4.19Å; W12-I63 HydrophobicContact CH2-CG2 4.26Å; W12-I63 HydrophobicContact CZ3-CD1 4.04Å; W12-I63 HydrophobicContact CZ3-CG1 4.28Å; W12-I63 HydrophobicContact CZ3-CG2 4.44Å; L42-I63 HydrophobicContact CB-CG2 3.75Å; L42-I63 HydrophobicContact CD2-CG2 3.86Å; L42-I63 HydrophobicContact CG-CG2 4.37Å; L42-I63 WeakPolarHBondContact O-CG2 3.24Å; E45-I63 HydrophobicContact CB-CG2 4.49Å; E45-I63 HydrophobicContact CG-CD1 4.41Å; A46-I63 HydrophobicContact CB-CB 4.45Å; A46-I63 HydrophobicContact CB-CG2 4.09Å; F55-I63 HydrophobicContact CB-CD1 4.29Å; F55-I63 HydrophobicContact CD1-CD1 3.85Å; F55-I63 HydrophobicContact CD2-CD1 3.96Å; F55-I63 HydrophobicContact CE1-CD1 4.12Å; F55-I63 HydrophobicContact CE2-CD1 4.23Å; F55-I63 HydrophobicContact CG-CD1 3.76Å; F55-I63 HydrophobicContact CZ-CD1 4.29Å; Q59-I63 VanDerWaalsContact O-CG1 3.28Å; Q59-I63 WeakPolarHBondContact O-CG1 3.12Å; Q59-I63 PolarHBondContact O-N 2.99Å; K60-I63 PolarHBondContact O-N 2.7Å; I63-K65 VanDerWaalsContact C-N 3.34Å; I63-K65 PolarHBondContact O-N 3.29Å; I63-I66 WeakPolarHBondContact O-CB 3.28Å; I63-I66 PolarHBondContact O-N 2.89Å; I63-A67 PolarHBondContact O-N 2.8Å; I63-I101 HydrophobicContact CD1-CG1 4.26Å; I63-I101 HydrophobicContact CG1-CD1 3.98Å; I63-I101 HydrophobicContact CG1-CG1 3.8Å
64G94.7Very high93.1Very high2 Ų238.2 Ų38.22%0.02118%0.184CC..Hα-helixtrans-62-38.8177.500000113.1K60 K61 T62 A67 T68K60-G64 PolarHBondContact O-N 3.39Å; K61-G64 PolarHBondContact O-N 3.45Å; T62-G64 VanDerWaalsContact C-N 3.32Å; T62-G64 PolarHBondContact O-N 2.86Å; G64-A67 WeakPolarHBondContact O-CB 3.13Å; G64-A67 PolarHBondContact O-N 3Å; G64-T68 PolarHBondContact O-N 3.03Å; G64-T68 PolarHBondContact O-OG1 3.48Å
65K95.7Very high93.3Very high33 Ų3335.8 Ų35.814%0.14318%0.182CC..Hα-helixtrans-65.4-38.9173.8-72.5-172.3173-161.20112.8K61 T62 I63 A67 T68 C69 F108 V112 P114K61-K65 WeakPolarHBondContact O-CG 3.4Å; K61-K65 PolarHBondContact O-N 2.94Å; T62-K65 WeakPolarHBondContact O-CB 3.29Å; T62-K65 PolarHBondContact O-N 3.27Å; I63-K65 VanDerWaalsContact C-N 3.34Å; I63-K65 PolarHBondContact O-N 3.29Å; K65-A67 VanDerWaalsContact C-N 3.32Å; K65-T68 PolarHBondContact O-N 2.91Å; K65-C69 PolarHBondContact O-N 2.85Å; K65-C69 VanDerWaalsContact O-N 3.08Å; K65-C69 PolarHBondContact O-SG 2.89Å; K65-F108 HydrophobicContact CB-CD1 4Å; K65-F108 HydrophobicContact CB-CD2 4.22Å; K65-F108 HydrophobicContact CB-CE1 3.68Å; K65-F108 HydrophobicContact CB-CE2 3.91Å; K65-F108 HydrophobicContact CB-CG 4.25Å; K65-F108 HydrophobicContact CB-CZ 3.62Å; K65-F108 HydrophobicContact CD-CB 3.83Å; K65-F108 HydrophobicContact CD-CD1 3.68Å; K65-F108 HydrophobicContact CD-CD2 4.16Å; K65-F108 HydrophobicContact CD-CE1 4.24Å; K65-F108 HydrophobicContact CD-CG 3.62Å; K65-F108 HydrophobicContact CG-CD1 4.46Å; K65-V112 HydrophobicContact CB-CG2 3.83Å; K65-V112 HydrophobicContact CD-CG2 4.34Å; K65-V112 VanDerWaalsContact CE-O 3.27Å; K65-V112 WeakPolarHBondContact CE-O 3.48Å; K65-V112 HydrophobicContact CG-CG2 4.02Å; K65-P114 HydrophobicContact CG-CG 4.21Å
66I96.5Very high93.4Very high0 Ų036 Ų360%018%0.184CC..Hα-helixtrans-62-44174.3-63.8169.5000109.8L42 T62 I63 T68 C69 L70 L94 I97 L98 I101 F108L42-I66 HydrophobicContact CD1-CB 4.14Å; L42-I66 HydrophobicContact CD1-CG2 3.6Å; T62-I66 HydrophobicContact CG2-CD1 4.45Å; T62-I66 WeakPolarHBondContact O-CG1 3.35Å; T62-I66 PolarHBondContact O-N 3.26Å; I63-I66 WeakPolarHBondContact O-CB 3.28Å; I63-I66 PolarHBondContact O-N 2.89Å; I66-T68 VanDerWaalsContact C-N 3.34Å; I66-T68 PolarHBondContact O-N 3.37Å; I66-C69 PolarHBondContact O-N 3.01Å; I66-C69 VanDerWaalsContact O-N 3.16Å; I66-L70 HydrophobicContact CG2-CD1 4.25Å; I66-L70 PolarHBondContact O-N 3.05Å; I66-L94 HydrophobicContact CG1-CD2 4.49Å; I66-L94 HydrophobicContact CG2-CD1 4.27Å; I66-I97 HydrophobicContact CD1-CG2 4.08Å; I66-L98 HydrophobicContact CD1-CB 4.23Å; I66-L98 HydrophobicContact CD1-CD1 4.11Å; I66-I101 HydrophobicContact CD1-CD1 4.18Å; I66-F108 HydrophobicContact CG1-CE2 3.82Å; I66-F108 HydrophobicContact CG1-CZ 3.99Å
67A95.9Very high93.3Very high0 Ų033.9 Ų33.90%017%0.17CC..Hα-helixtrans-58.4-44.8176.600000112.2A39 L42 Q43 I63 G64 K65 C69 L70 E71A39-A67 HydrophobicContact CB-CB 4.36Å; L42-A67 HydrophobicContact CB-CB 3.79Å; L42-A67 HydrophobicContact CD1-CB 4.4Å; Q43-A67 HydrophobicContact CG-CB 3.74Å; I63-A67 PolarHBondContact O-N 2.8Å; G64-A67 WeakPolarHBondContact O-CB 3.13Å; G64-A67 PolarHBondContact O-N 3Å; K65-A67 VanDerWaalsContact C-N 3.32Å; A67-C69 VanDerWaalsContact C-N 3.32Å; A67-C69 PolarHBondContact O-N 3.26Å; A67-L70 WeakPolarHBondContact O-CB 3.37Å; A67-L70 PolarHBondContact O-N 3.41Å; A67-E71 PolarHBondContact O-N 2.89Å
68T94.6Very high93.2Very high9 Ų934.2 Ų34.26%0.05517%0.172CC..Hα-helixtrans-59.7-41.6175.3-580000112.2G64 K65 I66 L70 E71 L72 V112 Q113 V115G64-T68 PolarHBondContact O-N 3.03Å; G64-T68 PolarHBondContact O-OG1 3.48Å; K65-T68 PolarHBondContact O-N 2.91Å; I66-T68 VanDerWaalsContact C-N 3.34Å; I66-T68 PolarHBondContact O-N 3.37Å; T68-L70 VanDerWaalsContact C-N 3.33Å; T68-L70 PolarHBondContact O-N 3.49Å; T68-E71 PolarHBondContact O-N 2.86Å; T68-L72 HydrophobicContact CG2-CD1 4.4Å; T68-L72 WeakPolarHBondContact O-CG 3.41Å; T68-L72 PolarHBondContact O-N 3.28Å; T68-V112 HydrophobicContact CG2-CB 3.92Å; T68-V112 HydrophobicContact CG2-CG1 4.26Å; T68-Q113 PolarHBondContact OG1-O 2.9Å; T68-V115 HydrophobicContact CG2-CG2 3.91Å; T68-V115 PolarHBondContact OG1-N 3.26Å
69C96.1Very high92.6Very high0 Ų030.2 Ų30.20%016%0.159CC..Hα-helixtrans-65-37.1177.2-62.80000112.6K65 I66 A67 L72 R73 F86 L94K65-C69 PolarHBondContact O-N 2.85Å; K65-C69 VanDerWaalsContact O-N 3.08Å; K65-C69 PolarHBondContact O-SG 2.89Å; I66-C69 PolarHBondContact O-N 3.01Å; I66-C69 VanDerWaalsContact O-N 3.16Å; A67-C69 VanDerWaalsContact C-N 3.32Å; A67-C69 PolarHBondContact O-N 3.26Å; C69-L72 PolarHBondContact O-N 2.63Å; C69-R73 PolarHBondContact O-N 2.85Å; C69-F86 HydrophobicContact CB-CE1 3.91Å; C69-F86 HydrophobicContact CB-CE2 4.36Å; C69-F86 HydrophobicContact CB-CZ 3.67Å; C69-L94 HydrophobicContact CB-CD1 3.36Å
70L95.9Very high91.4Very high0 Ų035.3 Ų35.30%019%0.192CC..Hα-helixtrans-64-42.2173.9-71.2164.2000111.2F16 Y35 L38 A39 L42 I66 A67 T68 R73 S74 L91F16-L70 HydrophobicContact CD2-CD2 4.09Å; F16-L70 HydrophobicContact CE2-CD2 4.12Å; Y35-L70 HydrophobicContact CD1-CD2 3.51Å; Y35-L70 HydrophobicContact CE1-CD2 4.15Å; Y35-L70 HydrophobicContact CG-CD2 3.99Å; L38-L70 HydrophobicContact CB-CD1 4.12Å; L38-L70 HydrophobicContact CD2-CD1 3.72Å; L38-L70 HydrophobicContact CD2-CD2 4.35Å; L38-L70 HydrophobicContact CG-CD1 3.7Å; A39-L70 HydrophobicContact CB-CB 3.93Å; A39-L70 HydrophobicContact CB-CD1 4.33Å; L42-L70 HydrophobicContact CD1-CD1 3.59Å; I66-L70 HydrophobicContact CG2-CD1 4.25Å; I66-L70 PolarHBondContact O-N 3.05Å; A67-L70 WeakPolarHBondContact O-CB 3.37Å; A67-L70 PolarHBondContact O-N 3.41Å; T68-L70 VanDerWaalsContact C-N 3.33Å; T68-L70 PolarHBondContact O-N 3.49Å; L70-R73 PolarHBondContact O-N 2.87Å; L70-S74 WeakPolarHBondContact O-CB 3.42Å; L70-S74 PolarHBondContact O-N 2.99Å; L70-S74 PolarHBondContact O-OG 2.89Å; L70-S74 VanDerWaalsContact O-OG 3.11Å; L70-L91 HydrophobicContact CD2-CD1 3.88Å; L70-L91 HydrophobicContact CD2-CD2 4.41Å; L70-L91 HydrophobicContact CG-CD1 4.39Å
71E93.1Very high89.6Confident64 Ų6443.6 Ų43.630%0.29923%0.231SC..Hα-helixtrans-63-42.3174.3-70.8-175.6157.500112.4A39 Q43 A67 T68 R73 S74 A75A39-E71 HydrophobicContact CB-CG 4.02Å; Q43-E71 VanDerWaalsContact NE2-CD 3.26Å; Q43-E71 PolarHBondContact NE2-OE1 2.94Å; A67-E71 PolarHBondContact O-N 2.89Å; T68-E71 PolarHBondContact O-N 2.86Å; E71-R73 VanDerWaalsContact C-N 3.32Å; E71-R73 PolarHBondContact O-N 3.02Å; E71-S74 PolarHBondContact O-N 2.94Å; E71-A75 WeakPolarHBondContact O-CB 3.49Å; E71-A75 PolarHBondContact O-N 3.04Å
72L92.9Very high87.7Confident77 Ų7740.6 Ų40.640%0.40323%0.225SC..Hα-helixtrans-60.8-41.1174.9-70.6173.9000111.4T68 C69 A75 A76 F86 V112T68-L72 HydrophobicContact CG2-CD1 4.4Å; T68-L72 WeakPolarHBondContact O-CG 3.41Å; T68-L72 PolarHBondContact O-N 3.28Å; C69-L72 PolarHBondContact O-N 2.63Å; L72-A75 PolarHBondContact O-N 3.24Å; L72-A76 WeakPolarHBondContact O-CB 2.99Å; L72-A76 PolarHBondContact O-N 2.84Å; L72-F86 HydrophobicContact CB-CB 3.89Å; L72-F86 HydrophobicContact CB-CD2 4.46Å; L72-F86 HydrophobicContact CB-CG 4.1Å; L72-F86 HydrophobicContact CD1-CD2 4.28Å; L72-V112 HydrophobicContact CD1-CG1 3.81Å
73R94.4Very high85.8Confident28 Ų2849.6 Ų49.611%0.10627%0.266CS..Hα-helixtrans-66.2-45.7175-173.362.5178.41559.5111.7D23 Y35 C69 L70 E71 A75 A76 L77 F86 L91D23-R73 VanDerWaalsContact CG-NH2 3.27Å; D23-R73 IonicContact OD1-CZ 3.33Å; D23-R73 IonicContact OD1-NE 3.73Å; D23-R73 IonicContact OD1-NH2 3.89Å; D23-R73 PolarHBondContact OD1-NH2 2.86Å; D23-R73 IonicContact OD2-CZ 3.14Å; D23-R73 VanDerWaalsContact OD2-CZ 3.24Å; D23-R73 IonicContact OD2-NE 2.75Å; D23-R73 PolarHBondContact OD2-NE 3.28Å; D23-R73 IonicContact OD2-NH2 3.98Å; D23-R73 PolarHBondContact OD2-NH2 3.38Å; Y35-R73 HydrophobicContact CD2-CB 4.35Å; Y35-R73 HydrophobicContact CD2-CG 3.99Å; Y35-R73 HydrophobicContact CE2-CB 4.39Å; Y35-R73 HydrophobicContact CE2-CG 3.6Å; C69-R73 PolarHBondContact O-N 2.85Å; L70-R73 PolarHBondContact O-N 2.87Å; E71-R73 VanDerWaalsContact C-N 3.32Å; E71-R73 PolarHBondContact O-N 3.02Å; R73-A75 VanDerWaalsContact C-N 3.28Å; R73-A75 PolarHBondContact O-N 3.36Å; R73-A76 WeakPolarHBondContact O-CB 3.19Å; R73-A76 PolarHBondContact O-N 2.74Å; R73-L77 HydrophobicContact CG-CD1 4.12Å; R73-L77 HydrophobicContact CG-CG 4.37Å; R73-L77 VanDerWaalsContact O-CG 3.31Å; R73-L77 WeakPolarHBondContact O-CG 3.04Å; R73-L77 PolarHBondContact O-N 3.44Å; R73-F86 HydrophobicContact CB-CD1 4.14Å; R73-F86 WeakPolarHBondContact CD-O 3.43Å; R73-F86 PolarHBondContact NH1-O 3.4Å; R73-L91 HydrophobicContact CB-CD1 4.15Å; R73-L91 HydrophobicContact CB-CD2 4.39Å; R73-L91 HydrophobicContact CG-CD2 4.08Å
74S92.7Very high84.2Confident3 Ų359 Ų592%0.02131%0.31CS..Hα-helixtrans-58-41.5176.3-67.20000112Y35 L70 E71 L77 Q78Y35-S74 WeakPolarHBondContact CB-OG 3.42Å; L70-S74 WeakPolarHBondContact O-CB 3.42Å; L70-S74 PolarHBondContact O-N 2.99Å; L70-S74 PolarHBondContact O-OG 2.89Å; L70-S74 VanDerWaalsContact O-OG 3.11Å; E71-S74 PolarHBondContact O-N 2.94Å; S74-L77 PolarHBondContact O-N 3.09Å; S74-Q78 WeakPolarHBondContact O-CG 3.33Å; S74-Q78 PolarHBondContact O-N 2.78Å
75A91.2Very high83.6Confident54 Ų5461.5 Ų61.545%0.44632%0.321SS..Hα-helixtrans-66.7-41.2175.700000112.1E71 L72 R73 L77 Q78 S79E71-A75 WeakPolarHBondContact O-CB 3.49Å; E71-A75 PolarHBondContact O-N 3.04Å; L72-A75 PolarHBondContact O-N 3.24Å; R73-A75 VanDerWaalsContact C-N 3.28Å; R73-A75 PolarHBondContact O-N 3.36Å; A75-L77 VanDerWaalsContact C-N 3.34Å; A75-L77 PolarHBondContact O-N 3.21Å; A75-Q78 PolarHBondContact O-N 2.97Å; A75-S79 PolarHBondContact O-N 3.28Å
76A91.5Very high83.4Confident7 Ų761.3 Ų61.36%0.05832%0.32CS..Hα-helixtrans-59-44174.100000111.9L72 R73 Q78 S79 E85L72-A76 WeakPolarHBondContact O-CB 2.99Å; L72-A76 PolarHBondContact O-N 2.84Å; R73-A76 WeakPolarHBondContact O-CB 3.19Å; R73-A76 PolarHBondContact O-N 2.74Å; A76-Q78 PolarHBondContact O-N 3.14Å; A76-S79 PolarHBondContact O-N 3.27Å; A76-E85 HydrophobicContact CB-CB 3.71Å; A76-E85 HydrophobicContact CB-CG 3.81Å
77L89.8Confident83.2Confident23 Ų2367.1 Ų67.112%0.1235%0.345CS..Hα-helixtrans-67.4-21.8178.3-66.4171.4000113.7L28 A31 I32 Y35 R73 S74 A75L28-L77 HydrophobicContact CD2-CD2 3.88Å; A31-L77 HydrophobicContact CB-CD1 3.91Å; I32-L77 HydrophobicContact CD1-CB 3.7Å; I32-L77 HydrophobicContact CG1-CB 3.53Å; I32-L77 HydrophobicContact CG1-CD1 3.91Å; I32-L77 HydrophobicContact CG1-CG 4.39Å; Y35-L77 HydrophobicContact CD2-CD1 4.02Å; Y35-L77 HydrophobicContact CE2-CD1 3.79Å; R73-L77 HydrophobicContact CG-CD1 4.12Å; R73-L77 HydrophobicContact CG-CG 4.37Å; R73-L77 VanDerWaalsContact O-CG 3.31Å; R73-L77 WeakPolarHBondContact O-CG 3.04Å; R73-L77 PolarHBondContact O-N 3.44Å; S74-L77 PolarHBondContact O-N 3.09Å; A75-L77 VanDerWaalsContact C-N 3.34Å; A75-L77 PolarHBondContact O-N 3.21Å
78Q85.9Confident83.1Confident117 Ų11768.4 Ų68.455%0.54735%0.352SS..Hα-helixtrans-87.2-24.1174.7-70.1175.58.700112.9I32 S74 A75 A76I32-Q78 HydrophobicContact CD1-CG 3.58Å; I32-Q78 HydrophobicContact CG1-CG 4.3Å; I32-Q78 HydrophobicContact CG2-CG 4.42Å; S74-Q78 WeakPolarHBondContact O-CG 3.33Å; S74-Q78 PolarHBondContact O-N 2.78Å; A75-Q78 PolarHBondContact O-N 2.97Å; A76-Q78 PolarHBondContact O-N 3.14Å
79S79Confident83Confident49 Ų4975.2 Ų75.234%0.34338%0.383SS..  trans-75.3138.2-179.8-173.90000110.4A75 A76 Q81 S82 E85A75-S79 PolarHBondContact O-N 3.28Å; A76-S79 PolarHBondContact O-N 3.27Å; S79-Q81 PolarHBondContact OG-N 2.72Å; S79-S82 PolarHBondContact OG-OG 3.48Å; S79-E85 WeakPolarHBondContact CB-OE1 3.14Å; S79-E85 PolarHBondContact OG-OE1 3.34Å
80T66.1Low83Confident135 Ų13577.1 Ų77.183%0.82839%0.394SS*.SBendtrans-98.5-3.5171.838.40000112.4
81Q54.2Low83Confident180 Ų18077.1 Ų77.184%0.84139%0.394SS*.SBendtrans-15151-164.6-61.8-17310.100115.6S79S79-Q81 PolarHBondContact OG-N 2.72Å
82S53.6Low83.1Confident57 Ų5778.6 Ų78.640%0.39940%0.399SS..  trans-137.7128.5169.529.30000114.2S79 E85S79-S82 PolarHBondContact OG-OG 3.48Å; S82-E85 WeakPolarHBondContact CA-OE1 3.39Å; S82-E85 WeakPolarHBondContact CB-OE1 3.34Å; S82-E85 PolarHBondContact N-OE1 3.09Å; S82-E85 VanDerWaalsContact N-OE1 3.15Å; S82-E85 VanDerWaalsContact O-CG 3.27Å; S82-E85 WeakPolarHBondContact O-CG 3.31Å; S82-E85 VanDerWaalsContact OG-CD 3.29Å; S82-E85 WeakPolarHBondContact OG-CG 3.27Å; S82-E85 PolarHBondContact OG-OE1 2.92Å
83Q53.3Low83.2Confident203 Ų20380 Ų8095%0.94940%0.402SS*.SBendtrans-81-16173.6-75.6-148.5-26.400113.6E85Q83-E85 PolarHBondContact O-N 3.28Å
84E61.6Low83.3Confident198 Ų19878.7 Ų78.793%0.92540%0.397SS*.SBendtrans-100.544.8179.9-67.7-171.5161.100112.2
85E82.3Confident83.4Confident55 Ų5581.6 Ų81.626%0.25741%0.41SS..  trans-88.7144.7-177.5-77.6173.2-164.400112.5A76 S79 S82 Q83 K87A76-E85 HydrophobicContact CB-CB 3.71Å; A76-E85 HydrophobicContact CB-CG 3.81Å; S79-E85 WeakPolarHBondContact CB-OE1 3.14Å; S79-E85 PolarHBondContact OG-OE1 3.34Å; S82-E85 WeakPolarHBondContact CA-OE1 3.39Å; S82-E85 WeakPolarHBondContact CB-OE1 3.34Å; S82-E85 PolarHBondContact N-OE1 3.09Å; S82-E85 VanDerWaalsContact N-OE1 3.15Å; S82-E85 VanDerWaalsContact O-CG 3.27Å; S82-E85 WeakPolarHBondContact O-CG 3.31Å; S82-E85 VanDerWaalsContact OG-CD 3.29Å; S82-E85 WeakPolarHBondContact OG-CG 3.27Å; S82-E85 PolarHBondContact OG-OE1 2.92Å; Q83-E85 PolarHBondContact O-N 3.28Å; E85-K87 PolarHBondContact O-N 2.91Å
86F90.2Very high83.5Confident29 Ų2982.4 Ų82.413%0.12741%0.411CS..  trans-66.5113.3174.5-164.5-95.7000109.7C69 L72 R73 D90 L91 F110C69-F86 HydrophobicContact CB-CE1 3.91Å; C69-F86 HydrophobicContact CB-CE2 4.36Å; C69-F86 HydrophobicContact CB-CZ 3.67Å; L72-F86 HydrophobicContact CB-CB 3.89Å; L72-F86 HydrophobicContact CB-CD2 4.46Å; L72-F86 HydrophobicContact CB-CG 4.1Å; L72-F86 HydrophobicContact CD1-CD2 4.28Å; R73-F86 HydrophobicContact CB-CD1 4.14Å; R73-F86 WeakPolarHBondContact CD-O 3.43Å; R73-F86 PolarHBondContact NH1-O 3.4Å; F86-D90 HydrophobicContact CE1-CB 4.29Å; F86-D90 HydrophobicContact CE2-CB 4.32Å; F86-D90 HydrophobicContact CZ-CB 4.08Å; F86-L91 HydrophobicContact CD1-CB 4.38Å; F86-L91 HydrophobicContact CD1-CD1 4.46Å; F86-L91 HydrophobicContact CE1-CB 3.89Å; F86-L91 HydrophobicContact CE1-CD1 3.86Å; F86-F110 AromaticContact CE2-CD1 3.93Å; F86-F110 HydrophobicContact CE2-CD1 3.93Å; F86-F110 HydrophobicContact CE2-CD2 4.24Å; F86-F110 HydrophobicContact CE2-CE1 4.11Å; F86-F110 HydrophobicContact CE2-CE2 4.4Å; F86-F110 HydrophobicContact CE2-CG 4Å; F86-F110 HydrophobicContact CE2-CZ 4.35Å; F86-F110 HydrophobicContact CZ-CD1 4.35Å; F86-F110 HydrophobicContact CZ-CD2 4.02Å; F86-F110 HydrophobicContact CZ-CE1 4.23Å; F86-F110 AromaticContact CZ-CE2 3.89Å; F86-F110 HydrophobicContact CZ-CE2 3.89Å; F86-F110 HydrophobicContact CZ-CG 4.26Å; F86-F110 AromaticContact CZ-CZ 4Å; F86-F110 HydrophobicContact CZ-CZ 4Å
87K92.7Very high83.7Confident121 Ų12182.5 Ų82.553%0.52641%0.41SS..  trans-80.3153.8-169.3-62-179.3-178.9177.30112.2E85 E89 D90 L91E85-K87 PolarHBondContact O-N 2.91Å; K87-E89 PolarHBondContact O-N 2.96Å; K87-D90 PolarHBondContact O-N 3.36Å; K87-D90 VanDerWaalsContact O-N 3.09Å; K87-L91 PolarHBondContact O-N 3.29Å
88L93.6Very high83.9Confident27 Ų2781.5 Ų81.514%0.14141%0.405CS..Hα-helixtrans-57.9-35.7173178.157.8000112.1A20 D23 D90 L91 K92A20-L88 HydrophobicContact CB-CD1 4.31Å; D23-L88 HydrophobicContact CB-CD1 4.02Å; D23-L88 HydrophobicContact CB-CD2 4.25Å; L88-D90 VanDerWaalsContact C-N 3.32Å; L88-D90 PolarHBondContact O-N 3.19Å; L88-L91 HydrophobicContact CD1-CD2 4.43Å; L88-L91 PolarHBondContact O-N 3.46Å; L88-K92 HydrophobicContact CD1-CG 4.3Å; L88-K92 HydrophobicContact CG-CD 4.41Å; L88-K92 WeakPolarHBondContact O-CG 3.49Å; L88-K92 PolarHBondContact O-N 2.68Å
89E93.8Very high84.2Confident153 Ų15383.6 Ų83.672%0.71541%0.412SS*.Hα-helixtrans-62.4-39.6176.2-63.7177.4-166.300112.3K87K87-E89 PolarHBondContact O-N 2.96Å
90D94.9Very high84.9Confident40 Ų4085 Ų8521%0.21442%0.416CS..Hα-helixtrans-70.9-43.5175.2-69.3-42.5000110.7F86 K87 L88 K92 K93 F110F86-D90 HydrophobicContact CE1-CB 4.29Å; F86-D90 HydrophobicContact CE2-CB 4.32Å; F86-D90 HydrophobicContact CZ-CB 4.08Å; K87-D90 PolarHBondContact O-N 3.36Å; K87-D90 VanDerWaalsContact O-N 3.09Å; L88-D90 VanDerWaalsContact C-N 3.32Å; L88-D90 PolarHBondContact O-N 3.19Å; D90-K92 VanDerWaalsContact C-N 3.3Å; D90-K92 PolarHBondContact O-N 3.14Å; D90-K93 VanDerWaalsContact O-CB 3.29Å; D90-K93 WeakPolarHBondContact O-CB 3.2Å; D90-K93 PolarHBondContact O-N 3.48Å; D90-K93 IonicContact OD1-NZ 3.26Å; D90-K93 PolarHBondContact OD1-NZ 3.1Å; D90-F110 HydrophobicContact CB-CE1 3.73Å; D90-F110 HydrophobicContact CB-CZ 3.76Å; D90-F110 WeakPolarHBondContact O-CZ 3.36Å
91L95.6Very high86.1Confident0 Ų078.6 Ų78.60%038%0.377CS..Hα-helixtrans-55.3-47174.4-170.377.7000111F16 Y35 L70 R73 F86 K87 L88 K93 L94F16-L91 HydrophobicContact CE2-CD1 4.2Å; F16-L91 HydrophobicContact CE2-CD2 4.3Å; F16-L91 HydrophobicContact CE2-CG 3.95Å; F16-L91 HydrophobicContact CZ-CD2 4.23Å; F16-L91 HydrophobicContact CZ-CG 3.85Å; F16-L91 VanDerWaalsContact CZ-O 3.28Å; F16-L91 WeakPolarHBondContact CZ-O 3.28Å; Y35-L91 HydrophobicContact CD1-CD2 4.31Å; Y35-L91 HydrophobicContact CE1-CD2 3.51Å; Y35-L91 HydrophobicContact CE2-CD2 3.9Å; Y35-L91 WeakPolarHBondContact OH-CD2 3.42Å; L70-L91 HydrophobicContact CD2-CD1 3.88Å; L70-L91 HydrophobicContact CD2-CD2 4.41Å; L70-L91 HydrophobicContact CG-CD1 4.39Å; R73-L91 HydrophobicContact CB-CD1 4.15Å; R73-L91 HydrophobicContact CB-CD2 4.39Å; R73-L91 HydrophobicContact CG-CD2 4.08Å; F86-L91 HydrophobicContact CD1-CB 4.38Å; F86-L91 HydrophobicContact CD1-CD1 4.46Å; F86-L91 HydrophobicContact CE1-CB 3.89Å; F86-L91 HydrophobicContact CE1-CD1 3.86Å; K87-L91 PolarHBondContact O-N 3.29Å; L88-L91 HydrophobicContact CD1-CD2 4.43Å; L88-L91 PolarHBondContact O-N 3.46Å; L91-K93 PolarHBondContact O-N 3.36Å; L91-L94 HydrophobicContact CD1-CD1 3.73Å; L91-L94 WeakPolarHBondContact O-CB 3.35Å; L91-L94 VanDerWaalsContact O-CG 3.27Å; L91-L94 WeakPolarHBondContact O-CG 3.35Å; L91-L94 PolarHBondContact O-N 3.03Å
92K95.6Very high87.9Confident95 Ų9572.6 Ų72.641%0.41335%0.35SS..Hα-helixtrans-58.3-22.5179.5-76.7179.3177.8-178.80114L88 D90 L94 E95L88-K92 HydrophobicContact CD1-CG 4.3Å; L88-K92 HydrophobicContact CG-CD 4.41Å; L88-K92 WeakPolarHBondContact O-CG 3.49Å; L88-K92 PolarHBondContact O-N 2.68Å; D90-K92 VanDerWaalsContact C-N 3.3Å; D90-K92 PolarHBondContact O-N 3.14Å; K92-L94 PolarHBondContact O-N 2.88Å; K92-E95 PolarHBondContact O-N 3.46Å
93K95.7Very high89.7Confident106 Ų10674.8 Ų74.846%0.46136%0.361SS..THydrogen-bonded Turntrans-65.2-18.4172.6-61.9172.7-175.1159.90112.7D90 L91 P96 F110D90-K93 VanDerWaalsContact O-CB 3.29Å; D90-K93 WeakPolarHBondContact O-CB 3.2Å; D90-K93 PolarHBondContact O-N 3.48Å; D90-K93 IonicContact OD1-NZ 3.26Å; D90-K93 PolarHBondContact OD1-NZ 3.1Å; L91-K93 PolarHBondContact O-N 3.36Å; K93-P96 WeakPolarHBondContact O-CD 3.45Å; K93-P96 WeakPolarHBondContact O-CG 3.3Å; K93-F110 HydrophobicContact CB-CE2 4.46Å; K93-F110 HydrophobicContact CB-CZ 4.15Å; K93-F110 HydrophobicContact CD-CZ 3.97Å
94L96Very high91.5Very high0 Ų067 Ų670%032%0.323CS..THydrogen-bonded Turntrans-79.2-24.4178.2-56.3177.8000113.6F16 I66 C69 L91 K92 I97 L98 F108 F110F16-L94 HydrophobicContact CE2-CB 3.98Å; F16-L94 HydrophobicContact CE2-CD1 4.47Å; F16-L94 HydrophobicContact CZ-CB 4.12Å; I66-L94 HydrophobicContact CG1-CD2 4.49Å; I66-L94 HydrophobicContact CG2-CD1 4.27Å; C69-L94 HydrophobicContact CB-CD1 3.36Å; L91-L94 HydrophobicContact CD1-CD1 3.73Å; L91-L94 WeakPolarHBondContact O-CB 3.35Å; L91-L94 VanDerWaalsContact O-CG 3.27Å; L91-L94 WeakPolarHBondContact O-CG 3.35Å; L91-L94 PolarHBondContact O-N 3.03Å; K92-L94 PolarHBondContact O-N 2.88Å; L94-I97 HydrophobicContact CD2-CD1 4.19Å; L94-I97 WeakPolarHBondContact O-CA 3.48Å; L94-I97 WeakPolarHBondContact O-CB 3.39Å; L94-I97 PolarHBondContact O-N 3.19Å; L94-L98 PolarHBondContact O-N 2.72Å; L94-F108 HydrophobicContact CD2-CE1 4.2Å; L94-F108 HydrophobicContact CD2-CE2 4.15Å; L94-F108 HydrophobicContact CD2-CZ 3.52Å; L94-F110 HydrophobicContact CD2-CD2 3.85Å; L94-F110 HydrophobicContact CD2-CE2 3.56Å; L94-F110 HydrophobicContact CG-CE2 4.11Å
95E94.1Very high92.7Very high65 Ų6564 Ų6430%0.30431%0.314SS..Hα-helixtrans-54.7-50.5-179.2-171.3176.2-173.500112.9F16 R17 K92 I97 L98 K99F16-E95 HydrophobicContact CD1-CB 4.01Å; F16-E95 HydrophobicContact CD1-CG 4.17Å; F16-E95 HydrophobicContact CE1-CB 3.67Å; F16-E95 HydrophobicContact CE1-CG 4.3Å; F16-E95 HydrophobicContact CZ-CB 4.41Å; R17-E95 WeakPolarHBondContact CD-OE1 3.3Å; R17-E95 WeakPolarHBondContact CG-OE1 3.4Å; R17-E95 IonicContact NH1-OE1 2.88Å; R17-E95 PolarHBondContact NH1-OE1 3.19Å; K92-E95 PolarHBondContact O-N 3.46Å; E95-I97 VanDerWaalsContact C-N 3.25Å; E95-I97 PolarHBondContact O-N 2.9Å; E95-L98 PolarHBondContact O-N 3.29Å; E95-K99 WeakPolarHBondContact O-CB 3.42Å; E95-K99 PolarHBondContact O-N 3.46Å
96P94.4Very high93.1Very high70 Ų7068.9 Ų68.946%0.45533%0.334SS..Hα-helixtrans-66.5-26.1175.926.2-35.6000113.1K93 N100K93-P96 WeakPolarHBondContact O-CD 3.45Å; K93-P96 WeakPolarHBondContact O-CG 3.3Å; P96-N100 WeakPolarHBondContact O-CB 3.33Å; P96-N100 PolarHBondContact O-N 2.76Å; P96-N100 PolarHBondContact O-ND2 2.75Å
97I95.6Very high93.1Very high10 Ų1076.3 Ų76.35%0.05137%0.369CS..Hα-helixtrans-71.2-48.8176.7-55.9-179.7000109.5T62 I66 L94 E95 K99 N100 I101 Y104 F108 P109T62-I97 HydrophobicContact CG2-CG2 3.8Å; I66-I97 HydrophobicContact CD1-CG2 4.08Å; L94-I97 HydrophobicContact CD2-CD1 4.19Å; L94-I97 WeakPolarHBondContact O-CA 3.48Å; L94-I97 WeakPolarHBondContact O-CB 3.39Å; L94-I97 PolarHBondContact O-N 3.19Å; E95-I97 VanDerWaalsContact C-N 3.25Å; E95-I97 PolarHBondContact O-N 2.9Å; I97-K99 VanDerWaalsContact C-N 3.34Å; I97-K99 PolarHBondContact O-N 3.11Å; I97-N100 CarbonylContact O-C 3.58Å; I97-N100 PolarHBondContact O-N 3.28Å; I97-I101 WeakPolarHBondContact O-CA 3.39Å; I97-I101 PolarHBondContact O-N 2.92Å; I97-Y104 HydrophobicContact CB-CD2 4.38Å; I97-Y104 HydrophobicContact CB-CE2 4.23Å; I97-Y104 HydrophobicContact CD1-CE2 4.09Å; I97-Y104 HydrophobicContact CG1-CD2 4.29Å; I97-Y104 HydrophobicContact CG1-CE2 3.71Å; I97-Y104 HydrophobicContact CG2-CD1 4.09Å; I97-Y104 HydrophobicContact CG2-CD2 3.84Å; I97-Y104 HydrophobicContact CG2-CE1 4.03Å; I97-Y104 HydrophobicContact CG2-CE2 3.81Å; I97-Y104 HydrophobicContact CG2-CG 3.97Å; I97-F108 HydrophobicContact CD1-CD2 4.35Å; I97-F108 HydrophobicContact CD1-CE2 4.18Å; I97-F108 HydrophobicContact CG2-CE2 4.21Å; I97-P109 VanDerWaalsContact CD1-CD 3.49Å; I97-P109 HydrophobicContact CD1-CG 3.69Å
98L94.2Very high93.1Very high2 Ų271.3 Ų71.31%0.0135%0.347CS..Hα-helixtrans-59.2-44.5177.9-174.861000111.5W12 F16 L42 I66 L94 E95 N100 I101W12-L98 HydrophobicContact CB-CD1 4.27Å; W12-L98 HydrophobicContact CB-CD2 4.15Å; W12-L98 HydrophobicContact CB-CG 4.46Å; W12-L98 HydrophobicContact CE3-CD1 3.91Å; F16-L98 HydrophobicContact CB-CD2 3.89Å; F16-L98 HydrophobicContact CD2-CD2 4.29Å; F16-L98 HydrophobicContact CG-CD2 4.22Å; L42-L98 HydrophobicContact CD2-CD1 4.05Å; I66-L98 HydrophobicContact CD1-CB 4.23Å; I66-L98 HydrophobicContact CD1-CD1 4.11Å; L94-L98 PolarHBondContact O-N 2.72Å; E95-L98 PolarHBondContact O-N 3.29Å; L98-N100 VanDerWaalsContact C-N 3.3Å; L98-N100 PolarHBondContact O-N 3.27Å; L98-I101 PolarHBondContact O-N 3Å
99K92.4Very high93.1Very high161 Ų16173.1 Ų73.170%0.736%0.361SS*.Hα-helixtrans-65.1-33.1178.5-172.7176.5179.6-179.70113E95 I97E95-K99 WeakPolarHBondContact O-CB 3.42Å; E95-K99 PolarHBondContact O-N 3.46Å; I97-K99 VanDerWaalsContact C-N 3.34Å; I97-K99 PolarHBondContact O-N 3.11Å
100N92.6Very high93.1Very high77 Ų7767.2 Ų67.241%0.41233%0.333SS..THydrogen-bonded Turntrans-107.722.9-176.6-60.6-57.8000112.6P96 I97 L98 L102 T103 Y104P96-N100 WeakPolarHBondContact O-CB 3.33Å; P96-N100 PolarHBondContact O-N 2.76Å; P96-N100 PolarHBondContact O-ND2 2.75Å; I97-N100 CarbonylContact O-C 3.58Å; I97-N100 PolarHBondContact O-N 3.28Å; L98-N100 VanDerWaalsContact C-N 3.3Å; L98-N100 PolarHBondContact O-N 3.27Å; N100-L102 PolarHBondContact O-N 2.87Å; N100-T103 CarbonylContact O-C 3.48Å; N100-T103 PolarHBondContact O-N 3.43Å; N100-T103 PolarHBondContact O-OG1 2.95Å; N100-Y104 WeakPolarHBondContact O-CB 3.34Å; N100-Y104 PolarHBondContact O-N 2.93Å
101I92.5Very high93Very high2 Ų272.7 Ų72.71%0.0136%0.362CS..THydrogen-bonded Turntrans-54-33.4-171.6-163.466.5000112.9L9 F55 T62 I63 I66 I97 L98 T103L9-I101 HydrophobicContact CD1-CG2 3.93Å; L9-I101 HydrophobicContact CD2-CG2 3.45Å; L9-I101 VanDerWaalsContact CD2-CG2 3.45Å; L9-I101 HydrophobicContact CG-CG2 4.35Å; F55-I101 HydrophobicContact CD1-CG2 4.48Å; F55-I101 HydrophobicContact CE1-CG2 3.81Å; T62-I101 HydrophobicContact CG2-CD1 3.36Å; I63-I101 HydrophobicContact CD1-CG1 4.26Å; I63-I101 HydrophobicContact CG1-CD1 3.98Å; I63-I101 HydrophobicContact CG1-CG1 3.8Å; I66-I101 HydrophobicContact CD1-CD1 4.18Å; I97-I101 WeakPolarHBondContact O-CA 3.39Å; I97-I101 PolarHBondContact O-N 2.92Å; L98-I101 PolarHBondContact O-N 3Å; I101-T103 VanDerWaalsContact C-N 3.33Å; I101-T103 PolarHBondContact O-N 3.49Å
102L90.8Very high92.7Very high54 Ų5473.3 Ų73.328%0.28337%0.366SS..THydrogen-bonded Turntrans-73.4-24-177.8-60.8175.5000113.7M1 T5 L9 F55 Q59 N100M1-L102 HydrophobicContact CE-CD1 3.13Å; M1-L102 HydrophobicContact CG-CD1 4Å; M1-L102 HydrophobicContact SD-CD1 4.03Å; T5-L102 HydrophobicContact CG2-CD1 4.5Å; T5-L102 HydrophobicContact CG2-CD2 4.46Å; L9-L102 HydrophobicContact CD1-CD1 3.87Å; L9-L102 HydrophobicContact CD1-CG 4.06Å; F55-L102 HydrophobicContact CD1-CD2 3.83Å; F55-L102 HydrophobicContact CE1-CD2 3.68Å; Q59-L102 PolarHBondContact NE2-O 3.08Å; N100-L102 PolarHBondContact O-N 2.87Å
103T91.7Very high92.3Very high103 Ų10374.6 Ų74.663%0.63237%0.373SS*.THydrogen-bonded Turntrans-116.66.6-179.556.30000112.2N100 I101 N105N100-T103 CarbonylContact O-C 3.48Å; N100-T103 PolarHBondContact O-N 3.43Å; N100-T103 PolarHBondContact O-OG1 2.95Å; I101-T103 VanDerWaalsContact C-N 3.33Å; I101-T103 PolarHBondContact O-N 3.49Å; T103-N105 PolarHBondContact O-N 3.3Å
104Y90.5Very high91.7Very high40 Ų4072 Ų7216%0.15737%0.367CS..  trans-75.8111.3-178.1-172.8-100.8000110.1T62 I97 N100 K106 E107 F108T62-Y104 HydrophobicContact CG2-CD1 3.82Å; T62-Y104 HydrophobicContact CG2-CE1 4.04Å; I97-Y104 HydrophobicContact CB-CD2 4.38Å; I97-Y104 HydrophobicContact CB-CE2 4.23Å; I97-Y104 HydrophobicContact CD1-CE2 4.09Å; I97-Y104 HydrophobicContact CG1-CD2 4.29Å; I97-Y104 HydrophobicContact CG1-CE2 3.71Å; I97-Y104 HydrophobicContact CG2-CD1 4.09Å; I97-Y104 HydrophobicContact CG2-CD2 3.84Å; I97-Y104 HydrophobicContact CG2-CE1 4.03Å; I97-Y104 HydrophobicContact CG2-CE2 3.81Å; I97-Y104 HydrophobicContact CG2-CG 3.97Å; N100-Y104 WeakPolarHBondContact O-CB 3.34Å; N100-Y104 PolarHBondContact O-N 2.93Å; Y104-K106 WeakPolarHBondContact CE1-O 3.27Å; Y104-K106 HydrophobicContact CE2-CB 3.99Å; Y104-E107 PolarHBondContact OH-O 2.98Å; Y104-F108 HydrophobicContact CE1-CD2 4.37Å; Y104-F108 WeakPolarHBondContact OH-CA 3.44Å
105N88.2Confident90.6Very high134 Ų13474 Ų7472%0.71738%0.38SS*.  trans-127.316.7-17866.1-10.2000112.4T103T103-N105 PolarHBondContact O-N 3.3Å
106K89.3Confident89.3Confident157 Ų15775.5 Ų75.568%0.68340%0.395SS*.SBendtrans-96.4159.3179.6-64.1-174.1179.8-177.40110Y104 F108Y104-K106 WeakPolarHBondContact CE1-O 3.27Å; Y104-K106 HydrophobicContact CE2-CB 3.99Å; K106-F108 PolarHBondContact O-N 3.17Å
107E90.7Very high87.8Confident185 Ų18576 Ų7686%0.86439%0.393SS*.PPolyproline II helixtrans-61.8133.4169.4-171.7171.3-164.800110.4Y104Y104-E107 PolarHBondContact OH-O 2.98Å
108F93.2Very high85.7Confident16 Ų1685.1 Ų85.17%0.0743%0.427CS..PPolyproline II helixtrans-64.9131.2179.6-162.6-97.3000109.8T62 K65 I66 L94 I97 Y104 K106 F110 V112T62-F108 HydrophobicContact CG2-CD2 3.93Å; T62-F108 HydrophobicContact CG2-CE2 4.01Å; K65-F108 HydrophobicContact CB-CD1 4Å; K65-F108 HydrophobicContact CB-CD2 4.22Å; K65-F108 HydrophobicContact CB-CE1 3.68Å; K65-F108 HydrophobicContact CB-CE2 3.91Å; K65-F108 HydrophobicContact CB-CG 4.25Å; K65-F108 HydrophobicContact CB-CZ 3.62Å; K65-F108 HydrophobicContact CD-CB 3.83Å; K65-F108 HydrophobicContact CD-CD1 3.68Å; K65-F108 HydrophobicContact CD-CD2 4.16Å; K65-F108 HydrophobicContact CD-CE1 4.24Å; K65-F108 HydrophobicContact CD-CG 3.62Å; K65-F108 HydrophobicContact CG-CD1 4.46Å; I66-F108 HydrophobicContact CG1-CE2 3.82Å; I66-F108 HydrophobicContact CG1-CZ 3.99Å; L94-F108 HydrophobicContact CD2-CE1 4.2Å; L94-F108 HydrophobicContact CD2-CE2 4.15Å; L94-F108 HydrophobicContact CD2-CZ 3.52Å; I97-F108 HydrophobicContact CD1-CD2 4.35Å; I97-F108 HydrophobicContact CD1-CE2 4.18Å; I97-F108 HydrophobicContact CG2-CE2 4.21Å; Y104-F108 HydrophobicContact CE1-CD2 4.37Å; Y104-F108 WeakPolarHBondContact OH-CA 3.44Å; K106-F108 PolarHBondContact O-N 3.17Å; F108-F110 HydrophobicContact CD1-CB 4.18Å; F108-F110 HydrophobicContact CD1-CD2 4.39Å; F108-F110 WeakPolarHBondContact CD1-O 3.37Å; F108-F110 HydrophobicContact CE1-CB 4.08Å; F108-F110 AromaticContact CE1-CD2 3.81Å; F108-F110 HydrophobicContact CE1-CD2 3.81Å; F108-F110 HydrophobicContact CE1-CG 4.44Å; F108-F110 HydrophobicContact CZ-CD2 4.47Å; F108-F110 PolarHBondContact O-N 2.66Å; F108-V112 HydrophobicContact CD1-CG2 4.12Å; F108-V112 HydrophobicContact CE1-CG2 3.74Å
109P94Very high83Confident66 Ų6696.9 Ų96.943%0.42947%0.471SS..SBendtrans-72.8-3-166.628.7-36.5000114.9I97I97-P109 VanDerWaalsContact CD1-CD 3.49Å; I97-P109 HydrophobicContact CD1-CG 3.69Å
110F93.4Very high80.4Confident29 Ų2995.4 Ų95.413%0.12747%0.469CS..SBendtrans-129.7139.3-177-51.9-65.9000110.7F86 D90 K93 L94 F108 V112F86-F110 AromaticContact CE2-CD1 3.93Å; F86-F110 HydrophobicContact CE2-CD1 3.93Å; F86-F110 HydrophobicContact CE2-CD2 4.24Å; F86-F110 HydrophobicContact CE2-CE1 4.11Å; F86-F110 HydrophobicContact CE2-CE2 4.4Å; F86-F110 HydrophobicContact CE2-CG 4Å; F86-F110 HydrophobicContact CE2-CZ 4.35Å; F86-F110 HydrophobicContact CZ-CD1 4.35Å; F86-F110 HydrophobicContact CZ-CD2 4.02Å; F86-F110 HydrophobicContact CZ-CE1 4.23Å; F86-F110 AromaticContact CZ-CE2 3.89Å; F86-F110 HydrophobicContact CZ-CE2 3.89Å; F86-F110 HydrophobicContact CZ-CG 4.26Å; F86-F110 AromaticContact CZ-CZ 4Å; F86-F110 HydrophobicContact CZ-CZ 4Å; D90-F110 HydrophobicContact CB-CE1 3.73Å; D90-F110 HydrophobicContact CB-CZ 3.76Å; D90-F110 WeakPolarHBondContact O-CZ 3.36Å; K93-F110 HydrophobicContact CB-CE2 4.46Å; K93-F110 HydrophobicContact CB-CZ 4.15Å; K93-F110 HydrophobicContact CD-CZ 3.97Å; L94-F110 HydrophobicContact CD2-CD2 3.85Å; L94-F110 HydrophobicContact CD2-CE2 3.56Å; L94-F110 HydrophobicContact CG-CE2 4.11Å; F108-F110 HydrophobicContact CD1-CB 4.18Å; F108-F110 HydrophobicContact CD1-CD2 4.39Å; F108-F110 WeakPolarHBondContact CD1-O 3.37Å; F108-F110 HydrophobicContact CE1-CB 4.08Å; F108-F110 AromaticContact CE1-CD2 3.81Å; F108-F110 HydrophobicContact CE1-CD2 3.81Å; F108-F110 HydrophobicContact CE1-CG 4.44Å; F108-F110 HydrophobicContact CZ-CD2 4.47Å; F108-F110 PolarHBondContact O-N 2.66Å; F110-V112 VanDerWaalsContact C-N 3.3Å; F110-V112 HydrophobicContact CB-CG1 4.24Å; F110-V112 HydrophobicContact CB-CG2 4.37Å; F110-V112 PolarHBondContact O-N 2.76Å
111D91.7Very high77.9Confident154 Ų15495.1 Ų95.182%0.82447%0.468SS*.  trans-79.681.4172.9-170.915.8000110.2
112V91.1Very high75Confident13 Ų1397.8 Ų97.88%0.07949%0.49CS..  trans-129.2146.1177.6-640000110.4K65 T68 L72 F108 F110K65-V112 HydrophobicContact CB-CG2 3.83Å; K65-V112 HydrophobicContact CD-CG2 4.34Å; K65-V112 VanDerWaalsContact CE-O 3.27Å; K65-V112 WeakPolarHBondContact CE-O 3.48Å; K65-V112 HydrophobicContact CG-CG2 4.02Å; T68-V112 HydrophobicContact CG2-CB 3.92Å; T68-V112 HydrophobicContact CG2-CG1 4.26Å; L72-V112 HydrophobicContact CD1-CG1 3.81Å; F108-V112 HydrophobicContact CD1-CG2 4.12Å; F108-V112 HydrophobicContact CE1-CG2 3.74Å; F110-V112 VanDerWaalsContact C-N 3.3Å; F110-V112 HydrophobicContact CB-CG1 4.24Å; F110-V112 HydrophobicContact CB-CG2 4.37Å; F110-V112 PolarHBondContact O-N 2.76Å
113Q87Confident72Confident123 Ų123101.9 Ų101.958%0.57552%0.52SS*.  trans-108139.7172.6-62.4-58.7-38.600109.9T68 V115T68-Q113 PolarHBondContact OG1-O 2.9Å; Q113-V115 PolarHBondContact O-N 3.44Å
114P81.5Confident69.5Low50 Ų5099.8 Ų99.833%0.32552%0.518SS..PPolyproline II helixtrans-53.7126.8174.4-25.834.8000111.5K61 K65K61-P114 HydrophobicContact CG-CG 4.5Å; K65-P114 HydrophobicContact CG-CG 4.21Å
115V72.8Confident67.2Low44 Ų44102 Ų10227%0.26753%0.53SS..PPolyproline II helixtrans-79.6131.3178.8178.20000109Q47 T68 Q113Q47-V115 PolarHBondContact NE2-O 3.06Å; T68-V115 HydrophobicContact CG2-CG2 3.91Å; T68-V115 PolarHBondContact OG1-N 3.26Å; Q113-V115 PolarHBondContact O-N 3.44Å
116P68.7Low65Low96 Ų96102.5 Ų102.562%0.62353%0.528SS*.PPolyproline II helixtrans-59.9144.9171.3-21.932.7000110.8R118P116-R118 PolarHBondContact O-N 3.42Å
117L61Low62.6Low80 Ų80103 Ų10342%0.41953%0.533SS..  trans-59.7100.5175.6-85.8168.1000108.3Q43 Q47 R119Q43-L117 HydrophobicContact CB-CD2 3.8Å; Q43-L117 HydrophobicContact CB-CG 4.16Å; Q47-L117 VanDerWaalsContact OE1-CB 3.29Å; L117-R119 PolarHBondContact O-N 3.49Å
118R52.7Low60.4Low201 Ų201100.7 Ų100.776%0.75853%0.527SS*.  trans-72125.9168-77.6-174.4174.5169.20.2107P116 I120P116-R118 PolarHBondContact O-N 3.42Å; R118-I120 HydrophobicContact CB-CD1 3.71Å; R118-I120 HydrophobicContact CB-CG1 3.74Å; R118-I120 PolarHBondContact O-N 2.9Å
119R37.4Very low58.3Low250 Ų250101.9 Ų101.994%0.94353%0.533SS*.  trans-6283.5170.1-67.2179.6-170.9168.81.9109.2L117L117-R119 PolarHBondContact O-N 3.49Å
120I38.3Very low56.1Low129 Ų129105.6 Ų105.666%0.66255%0.545SS*.  trans-100.1-7.7-176.9-66.4174.6000112.1R118R118-I120 HydrophobicContact CB-CD1 3.71Å; R118-I120 HydrophobicContact CB-CG1 3.74Å; R118-I120 PolarHBondContact O-N 2.9Å
121L38.6Very low54Low72 Ų72105.5 Ų105.538%0.37755%0.545SS..SBendtrans-136155.4173.3-77.5108.8000112.1E125L121-E125 HydrophobicContact CB-CB 4.13Å; L121-E125 VanDerWaalsContact CB-OE2 3.25Å; L121-E125 WeakPolarHBondContact CB-OE2 3.34Å; L121-E125 HydrophobicContact CD2-CB 4Å; L121-E125 VanDerWaalsContact CD2-CD 3.49Å; L121-E125 HydrophobicContact CD2-CG 4.32Å; L121-E125 WeakPolarHBondContact CD2-OE2 3.15Å
122A31.9Very low51.9Low57 Ų57102 Ų10247%0.47152%0.523SS..  trans-67.8148-175.500000110.8G124 E125A122-G124 PolarHBondContact O-N 2.98Å; A122-E125 PolarHBondContact N-OE2 2.78Å; A122-E125 PolarHBondContact O-N 2.76Å; A122-E125 VanDerWaalsContact O-N 3.16Å
123P28.8Very low49.5Very low140 Ų140107.1 Ų107.191%0.90955%0.547SS*.THydrogen-bonded Turntrans-56113.1175.5-19.130.2000110
124G37.9Very low47.4Very low59 Ų59108 Ų10861%0.60856%0.555SS**THydrogen-bonded Turntrans125.1-16.3-177.100000115.4A122 E126A122-G124 PolarHBondContact O-N 2.98Å; G124-E126 VanDerWaalsContact C-N 3.31Å
125E43.3Very low45.4Very low86 Ų86112.2 Ų112.240%0.40257%0.57SS.*SBendtrans-82.6-10.7173.1-70.3175.5128.100112.7L121 A122L121-E125 HydrophobicContact CB-CB 4.13Å; L121-E125 VanDerWaalsContact CB-OE2 3.25Å; L121-E125 WeakPolarHBondContact CB-OE2 3.34Å; L121-E125 HydrophobicContact CD2-CB 4Å; L121-E125 VanDerWaalsContact CD2-CD 3.49Å; L121-E125 HydrophobicContact CD2-CG 4.32Å; L121-E125 WeakPolarHBondContact CD2-OE2 3.15Å; A122-E125 PolarHBondContact N-OE2 2.78Å; A122-E125 PolarHBondContact O-N 2.76Å; A122-E125 VanDerWaalsContact O-N 3.16Å
126E42.2Very low43.7Very low145 Ų145117.4 Ų117.468%0.67859%0.592SS**SBendtrans-79.6-23.3-171.8-62-168.2170.600115.1G124G124-E126 VanDerWaalsContact C-N 3.31Å
127E38.8Very low42.4Very low169 Ų169120.9 Ų120.979%0.7960%0.6SS**THydrogen-bonded Turntrans-83.4-14-174-84.9-176.4159.500114.5
128N43.9Very low40.9Very low136 Ų136120.8 Ų120.873%0.72762%0.618SS**THydrogen-bonded Turntrans-105.98.1-170.4-80.3-49.7000115.5E130N128-E130 VanDerWaalsContact C-N 3.34Å; N128-E130 PolarHBondContact O-N 3.45Å
129L49.2Very low40Very low40 Ų40114.2 Ų114.221%0.20961%0.613CS.*  trans-100.150.2177.3-67.3172.5000111K250L129-K250 HydrophobicContact CD2-CD 4.13Å
130E49.1Very low39.7Very low145 Ų145107.6 Ų107.668%0.67861%0.612SS**  trans-63.6147.2168.9-62.5-169154.100109.8N128 E132N128-E130 VanDerWaalsContact C-N 3.34Å; N128-E130 PolarHBondContact O-N 3.45Å; E130-E132 PolarHBondContact O-N 2.81Å; E130-E132 VanDerWaalsContact O-N 3.08Å
131F47.7Very low39.6Very low26 Ų26104.9 Ų104.911%0.11462%0.616CS.*  trans-51.6119.9169.7-65.6-83.9000107.5R11 W12 S15 H41 E133R11-F131 HydrophobicContact CB-CD2 4.49Å; R11-F131 HydrophobicContact CB-CE2 4.27Å; W12-F131 AromaticContact CD1-CZ 3.75Å; S15-F131 VanDerWaalsContact CB-CE1 3.4Å; H41-F131 AromaticContact CE1-CD2 3.93Å; H41-F131 AromaticContact CE1-CE2 3.51Å; H41-F131 AromaticContact CE1-CZ 3.72Å; H41-F131 AromaticContact ND1-CE1 3.74Å; H41-F131 AromaticContact ND1-CE2 3.2Å; H41-F131 WeakPolarHBondContact ND1-CE2 3.23Å; H41-F131 AromaticContact ND1-CZ 3.02Å; H41-F131 WeakPolarHBondContact ND1-CZ 3.13Å; F131-E133 PolarHBondContact O-N 3.1Å
132E49.2Very low39.3Very low80 Ų80107.2 Ų107.237%0.37465%0.645SS.*  trans-61.197168.7-74.2-176.6-175.600105.6R18 E130 K247R18-E132 PolarHBondContact NH1-O 2.95Å; R18-E132 PolarHBondContact NH2-O 2.88Å; E130-E132 PolarHBondContact O-N 2.81Å; E130-E132 VanDerWaalsContact O-N 3.08Å; E132-K247 IonicContact OE1-NZ 3.49Å; E132-K247 PolarHBondContact OE1-NZ 3.02Å; E132-K247 VanDerWaalsContact OE1-NZ 3.1Å; E132-K247 IonicContact OE2-NZ 2.69Å; E132-K247 PolarHBondContact OE2-NZ 3.27Å
133E40.7Very low39.3Very low122 Ų122107.8 Ų107.857%0.5766%0.657SS**  trans-63.6139.6148.7-67.3-173.4-171.100105.3F131 E135F131-E133 PolarHBondContact O-N 3.1Å; E133-E135 HydrophobicContact CB-CG 4.23Å; E133-E135 PolarHBondContact O-N 2.97Å
134D42.9Very low39.8Very low140 Ų140106 Ų10675%0.74965%0.647SS**  trans-68.655.6-179.5-71.8-55.4000110.9
135E39.1Very low40Very low139 Ų139108.4 Ų108.465%0.6565%0.653SS**  trans-90.1113.7175-64.2-154.9152.600109.4E133 E137E133-E135 HydrophobicContact CB-CG 4.23Å; E133-E135 PolarHBondContact O-N 2.97Å; E135-E137 PolarHBondContact O-N 2.62Å
136E36.3Very low39.5Very low153 Ų153110.7 Ų110.772%0.71567%0.668SS**  trans-59.281.8161.7-65.7-170.3146.900109.2K179E136-K179 IonicContact OE1-NZ 3.24Å; E136-K179 PolarHBondContact OE1-NZ 3.23Å; E136-K179 IonicContact OE2-NZ 3.38Å
137E40.6Very low39.1Very low169 Ų169109.4 Ų109.479%0.7967%0.674SS**  trans-113.5108.8169.4-96.7-161.3160.200112.6E135 G139E135-E137 PolarHBondContact O-N 2.62Å; E137-G139 PolarHBondContact O-N 2.89Å
138G30.5Very low39.3Very low78 Ų78106.3 Ų106.380%0.80466%0.659SS**  trans-66.8111.6163.600000110
139G34Very low38.9Very low63 Ų63105.3 Ų105.365%0.64966%0.66SS**  trans-119.9110.2168.600000109.9E137E137-G139 PolarHBondContact O-N 2.89Å
140A31.8Very low38.4Very low111 Ų111108 Ų10892%0.91769%0.688SS**  trans-63.2131.4174.100000110.9
141G35Very low38.6Very low73 Ų73110.9 Ų110.975%0.75369%0.692SS**  trans-162.184.4173.700000110.1G143G141-G143 PolarHBondContact O-N 2.75Å
142A32Very low38.8Very low120 Ų120114.8 Ų114.899%0.99272%0.718SS**  trans-68.6106.7169.800000108.9
143G32.7Very low39.8Very low70 Ų70116.1 Ų116.172%0.72273%0.734SS**  trans-122131.1170.700000110.3G141G141-G143 PolarHBondContact O-N 2.75Å
144S40Very low41.8Very low101 Ų101111.7 Ų111.771%0.70672%0.721SS**  trans-48.1146.9178.9-86.40000114.2D146S144-D146 VanDerWaalsContact C-N 3.35Å; S144-D146 PolarHBondContact O-N 3Å; S144-D146 VanDerWaalsContact O-N 3.09Å
145P40.4Very low44.4Very low111 Ų111108.3 Ų108.372%0.72171%0.706SS**  trans-85.276.7174.535.9-30.8000109.8S147P145-S147 PolarHBondContact O-N 3.1Å
146D32.9Very low47.1Very low134 Ų134104.1 Ų104.172%0.71769%0.687SS**  trans-86109.8168.8-81.2-31.5000110.4S144S144-D146 VanDerWaalsContact C-N 3.35Å; S144-D146 PolarHBondContact O-N 3Å; S144-D146 VanDerWaalsContact O-N 3.09Å
147S33.6Very low50Low117 Ų11799.9 Ų99.982%0.81867%0.669SS**  trans5187.916162.60000117.3P145P145-S147 PolarHBondContact O-N 3.1Å
148F43.6Very low52.6Low104 Ų10496.6 Ų96.646%0.45666%0.663SS.*  trans-100.9148165.9-71.8-77.1000111.9Y246F148-Y246 HydrophobicContact CD1-CE1 4.43Å; F148-Y246 AromaticContact CE1-CE1 3.94Å; F148-Y246 HydrophobicContact CE1-CE1 3.94Å
149P36.2Very low55.8Low116 Ų11698.1 Ų98.175%0.75364%0.644SS**  trans-64.9154.2-179.314.2-7.8000111.2R151P149-R151 PolarHBondContact O-N 3.24Å
150A38.8Very low58.8Low97 Ų9797.5 Ų97.580%0.80263%0.626SS**  trans-39.3127.8-171.300000114.4V152A150-V152 PolarHBondContact O-N 3.24Å; A150-V152 VanDerWaalsContact O-N 3.16Å
151R52.4Low61.9Low204 Ų20497.3 Ų97.377%0.7762%0.615SS**  trans-44.6120.5172.8-73.2178179.7166.6-0109.7P149 P153P149-R151 PolarHBondContact O-N 3.24Å; R151-P153 WeakPolarHBondContact O-CD 3.4Å
152V52.7Low64.7Low109 Ų10996.1 Ų96.166%0.66160%0.595SS**PPolyproline II helixtrans-59.9122.1175.9-174.80000108.1A150 G154A150-V152 PolarHBondContact O-N 3.24Å; A150-V152 VanDerWaalsContact O-N 3.16Å; V152-G154 PolarHBondContact O-N 3.21Å
153P70.1Confident67.7Low108 Ų10894 Ų9470%0.70156%0.564SS**PPolyproline II helixtrans-63.4134.3171.7-11.524.9000108.6R151R151-P153 WeakPolarHBondContact O-CD 3.4Å
154G83.3Confident70.6Confident29 Ų2996.3 Ų96.330%0.29957%0.567SS.*PPolyproline II helixtrans-58.7158.2172.800000111.6V152 D206V152-G154 PolarHBondContact O-N 3.21Å; G154-D206 CarbonylContact C-O 3.49Å; G154-D206 VanDerWaalsContact CA-O 3.27Å; G154-D206 WeakPolarHBondContact CA-O 3.35Å
155T95.6Very high73.3Confident69 Ų6994.6 Ų94.642%0.42357%0.565SS.*  trans-107.923.3-177.859.30000112.5L157 D206T155-L157 PolarHBondContact O-N 3.05Å; T155-D206 PolarHBondContact N-O 2.99Å; T155-D206 WeakPolarHBondContact OG1-CB 3.41Å; T155-D206 PolarHBondContact OG1-N 3.05Å
156L96Very high75.9Confident51 Ų5191.9 Ų91.927%0.26754%0.544SS..PPolyproline II helixtrans-59.7134.8179.9-58.3-174.8000111.5Q205 D206 V222 I224L156-Q205 HydrophobicContact CD2-CB 4.04Å; L156-D206 WeakPolarHBondContact CD2-O 3.18Å; L156-D206 WeakPolarHBondContact CG-O 3.18Å; L156-V222 HydrophobicContact CD1-CG1 4.48Å; L156-V222 HydrophobicContact CD1-CG2 3.35Å; L156-I224 HydrophobicContact CD1-CG1 4.42Å; L156-I224 HydrophobicContact CD2-CD1 4.16Å; L156-I224 HydrophobicContact CD2-CG1 3.86Å; L156-I224 HydrophobicContact CD2-CG2 4.46Å
157L97.1Very high79Confident63 Ų6385.7 Ų85.733%0.3351%0.511SS..PPolyproline II helixtrans-101.2151.4-177.5-65.7175.4000110.8T155 P203 Q205 Q227T155-L157 PolarHBondContact O-N 3.05Å; L157-P203 HydrophobicContact CD1-CB 3.99Å; L157-P203 HydrophobicContact CD1-CG 4.33Å; L157-Q205 HydrophobicContact CD1-CG 4.29Å; L157-Q205 HydrophobicContact CG-CG 4.28Å; L157-Q227 HydrophobicContact CB-CG 4.14Å; L157-Q227 HydrophobicContact CD1-CG 3.79Å
158P97.1Very high82.1Confident101 Ų10180.3 Ų80.366%0.65647%0.473SS*.PPolyproline II helixtrans-67.5162.8177.130.1-35.9000111.5L160 Q227P158-L160 PolarHBondContact O-N 3.32Å; P158-Q227 PolarHBondContact O-NE2 2.9Å
159R97.3Very high84.7Confident110 Ų11075.3 Ų75.342%0.41545%0.451SS..PPolyproline II helixtrans-60.7136.8173.6-167.9178.8-62.2151.810.5110.4L168 T170 E225 H304R159-L168 HydrophobicContact CG-CD1 3.94Å; R159-T170 PolarHBondContact NH2-OG1 2.86Å; R159-E225 HydrophobicContact CB-CB 4.32Å; R159-E225 HydrophobicContact CB-CG 3.91Å; R159-E225 IonicContact CZ-OE1 2.72Å; R159-E225 IonicContact CZ-OE2 3.69Å; R159-E225 IonicContact NE-OE1 3.92Å; R159-E225 PolarHBondContact NE-OE1 3.44Å; R159-E225 VanDerWaalsContact NE-OE1 3.13Å; R159-E225 IonicContact NE-OE2 2.64Å; R159-E225 PolarHBondContact NE-OE2 3.29Å; R159-E225 VanDerWaalsContact NE-OE2 3.14Å; R159-E225 IonicContact NH2-OE1 2.68Å; R159-E225 PolarHBondContact NH2-OE1 2.93Å; R159-E225 IonicContact NH2-OE2 2.7Å; R159-H304 PolarHBondContact NH1-CE1 3.36Å
160L96.9Very high87.6Confident50 Ų5070 Ų7026%0.26242%0.416SS..PPolyproline II helixtrans-63155.1171.9-65.4179.8000111P158 L168 Q227P158-L160 PolarHBondContact O-N 3.32Å; L160-L168 HydrophobicContact CB-CD2 3.88Å; L160-L168 HydrophobicContact CD1-CD2 4.36Å; L160-L168 VanDerWaalsContact O-CD1 3.24Å; L160-L168 WeakPolarHBondContact O-CD1 3.43Å; L160-Q227 VanDerWaalsContact CD1-C 3.4Å
161P96Very high90.5Very high107 Ų10765.7 Ų65.770%0.69538%0.38SS*.PPolyproline II helixtrans-58.7138.5167.4-20.432.5000110.7H229P161-H229 PolarHBondContact O-CE1 3.22Å; P161-H229 PolarHBondContact O-NE2 3.08Å
162S94.8Very high92.7Very high48 Ų4861 Ų6134%0.33636%0.362SS..PPolyproline II helixtrans-63142.6173.1-52.80000111.3E306S162-E306 WeakPolarHBondContact CB-OE1 3.39Å; S162-E306 WeakPolarHBondContact CB-OE2 3.02Å; S162-E306 PolarHBondContact OG-OE1 3.35Å
163E94.3Very high94.8Very high74 Ų7455.8 Ų55.835%0.34633%0.33SS..  trans-117.4136.1170.7-71.5178.7-137.900109.6G165 M166 H229 K232E163-G165 PolarHBondContact O-N 3.31Å; E163-M166 HydrophobicContact CB-CB 4Å; E163-M166 HydrophobicContact CB-CG 3.82Å; E163-M166 WeakPolarHBondContact O-CB 3.49Å; E163-M166 PolarHBondContact O-N 3.16Å; E163-H229 VanDerWaalsContact CD-CE1 3.5Å; E163-H229 PolarHBondContact N-NE2 3.41Å; E163-H229 IonicContact OE1-CE1 3.92Å; E163-H229 PolarHBondContact OE1-CE1 3.33Å; E163-H229 IonicContact OE1-ND1 3.47Å; E163-H229 PolarHBondContact OE1-ND1 3.35Å; E163-K232 IonicContact OE1-NZ 2.73Å; E163-K232 PolarHBondContact OE1-NZ 2.81Å; E163-K232 WeakPolarHBondContact OE2-CE 3.42Å; E163-K232 IonicContact OE2-NZ 3Å; E163-K232 PolarHBondContact OE2-NZ 3.41Å
164P94.7Very high96.1Very high119 Ų11953.5 Ų53.577%0.77331%0.31SS*.THydrogen-bonded Turntrans-54.9128.2-179.1-27.834.9000113.1M166P164-M166 PolarHBondContact O-N 3.27Å
165G94.9Very high96.8Very high65 Ų6554.6 Ų54.667%0.6731%0.307SS*.THydrogen-bonded Turntrans74.88.8179.700000115E163 E306E163-G165 PolarHBondContact O-N 3.31Å; G165-E306 PolarHBondContact N-O 3.02Å
166M96.6Very high97Very high54 Ų5451.4 Ų51.427%0.26629%0.287SS..  trans-110.6156.1175.4-60.3-80.4175.600110.6E163 P164 H229 E231 K232E163-M166 HydrophobicContact CB-CB 4Å; E163-M166 HydrophobicContact CB-CG 3.82Å; E163-M166 WeakPolarHBondContact O-CB 3.49Å; E163-M166 PolarHBondContact O-N 3.16Å; P164-M166 PolarHBondContact O-N 3.27Å; M166-H229 HydrophobicContact CB-CB 4.1Å; M166-H229 WeakPolarHBondContact CB-CD2 3.35Å; M166-H229 HydrophobicContact SD-CB 4.39Å; M166-E231 HydrophobicContact SD-CB 3.81Å; M166-E231 HydrophobicContact SD-CG 4.32Å; M166-K232 HydrophobicContact SD-CG 4.35Å
167T97.2Very high97.1Very high5 Ų549 Ų493%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-112.5130.3-179-50.70000110.5H229 V230 E231 L303 H304 K305T167-H229 CarbonylContact O-C 3.58Å; T167-H229 WeakPolarHBondContact O-CA 3.49Å; T167-V230 HydrophobicContact CG2-CG2 4.23Å; T167-V230 PolarHBondContact O-N 3.49Å; T167-E231 VanDerWaalsContact CB-OE1 3.24Å; T167-E231 WeakPolarHBondContact CB-OE1 3.42Å; T167-E231 PolarHBondContact N-OE1 3.15Å; T167-E231 PolarHBondContact N-OE2 3.19Å; T167-E231 PolarHBondContact OG1-OE1 3.15Å; T167-L303 HydrophobicContact CG2-CB 3.83Å; T167-L303 HydrophobicContact CG2-CD2 4.06Å; T167-L303 HydrophobicContact CG2-CG 4.04Å; T167-H304 WeakPolarHBondContact CA-O 3.47Å; T167-K305 HydrophobicContact CG2-CG 3.86Å; T167-K305 VanDerWaalsContact OG1-CE 3.3Å; T167-K305 WeakPolarHBondContact OG1-CE 3.5Å
168L97.9Very high97.1Very high3 Ų346 Ų462%0.01626%0.259CS..EExtended strand (participates in β ladder)trans-96.8146.8166.4-68.2167.8000110.2R159 L160 L303 H304R159-L168 HydrophobicContact CG-CD1 3.94Å; L160-L168 HydrophobicContact CB-CD2 3.88Å; L160-L168 HydrophobicContact CD1-CD2 4.36Å; L160-L168 VanDerWaalsContact O-CD1 3.24Å; L160-L168 WeakPolarHBondContact O-CD1 3.43Å; L168-L303 WeakPolarHBondContact O-CA 3.17Å; L168-H304 HydrophobicContact CB-CB 4.24Å; L168-H304 PolarHBondContact N-O 3.32Å; L168-H304 PolarHBondContact O-N 3.26Å
169L98Very high97Very high0 Ų045.6 Ų45.60%025%0.247CC..EExtended strand (participates in β ladder)trans-117.6120.7179.2-179.863.4000110.3I171 L226 V230 I239 M261 I266 Q301 L303L169-I171 HydrophobicContact CD1-CG1 4.33Å; L169-I171 HydrophobicContact CD2-CD1 3.89Å; L169-I171 HydrophobicContact CD2-CG1 3.98Å; L169-I171 HydrophobicContact CG-CD1 4.34Å; L169-I171 HydrophobicContact CG-CG1 3.88Å; L169-L226 HydrophobicContact CB-CB 4.19Å; L169-L226 HydrophobicContact CB-CD2 4.34Å; L169-L226 HydrophobicContact CD2-CD2 4.21Å; L169-L226 WeakPolarHBondContact O-CB 3.26Å; L169-L226 PolarHBondContact O-N 3.49Å; L169-V230 HydrophobicContact CB-CG2 4.02Å; L169-I239 HydrophobicContact CD2-CD1 3.83Å; L169-M261 HydrophobicContact CD2-CE 4.36Å; L169-I266 HydrophobicContact CD1-CG2 4.02Å; L169-I266 HydrophobicContact CD2-CD1 4.04Å; L169-I266 HydrophobicContact CD2-CG1 4.11Å; L169-I266 HydrophobicContact CD2-CG2 3.87Å; L169-Q301 HydrophobicContact CD1-CB 4.2Å; L169-L303 HydrophobicContact CD1-CD1 3.98Å; L169-L303 HydrophobicContact CD1-CG 4.3Å
170T98.5Very high96.8Very high4 Ų442.6 Ų42.63%0.02524%0.239CC..EExtended strand (participates in β ladder)trans-101.3132.3163.6-51.30000108.7R159 D223 I224 E225 T302 H304R159-T170 PolarHBondContact NH2-OG1 2.86Å; T170-D223 HydrophobicContact CG2-CB 3.85Å; T170-I224 WeakPolarHBondContact CA-O 3.43Å; T170-E225 WeakPolarHBondContact CB-OE2 3.36Å; T170-E225 VanDerWaalsContact OG1-CD 3.26Å; T170-E225 PolarHBondContact OG1-OE1 2.98Å; T170-E225 PolarHBondContact OG1-OE2 3.44Å; T170-T302 PolarHBondContact N-O 3.32Å; T170-T302 PolarHBondContact O-N 2.56Å; T170-H304 PolarHBondContact OG1-CD2 3.08Å; T170-H304 PolarHBondContact OG1-NE2 3.37Å
171I98.5Very high96.6Very high6 Ų640.2 Ų40.23%0.03123%0.226CC..EExtended strand (participates in β ladder)trans-117116173.5-56.6-178.1000108.1L169 I224 I239 F241 M261 L299L169-I171 HydrophobicContact CD1-CG1 4.33Å; L169-I171 HydrophobicContact CD2-CD1 3.89Å; L169-I171 HydrophobicContact CD2-CG1 3.98Å; L169-I171 HydrophobicContact CG-CD1 4.34Å; L169-I171 HydrophobicContact CG-CG1 3.88Å; I171-I224 PolarHBondContact N-O 3.4Å; I171-I224 PolarHBondContact O-N 3.5Å; I171-I239 HydrophobicContact CD1-CD1 3.83Å; I171-I239 HydrophobicContact CD1-CG2 4.33Å; I171-F241 HydrophobicContact CD1-CZ 3.92Å; I171-F241 HydrophobicContact CG2-CE1 4.24Å; I171-F241 HydrophobicContact CG2-CZ 4.26Å; I171-M261 HydrophobicContact CD1-CE 3.75Å; I171-L299 HydrophobicContact CG2-CB 4.02Å; I171-L299 HydrophobicContact CG2-CD1 4.06Å; I171-L299 HydrophobicContact CG2-CD2 3.98Å; I171-L299 HydrophobicContact CG2-CG 4.26Å
172R98.4Very high96.4Very high105 Ų10536.6 Ų36.640%0.39621%0.209SC..EExtended strand (participates in β ladder)trans-83.4117.8168.9-174.9170.3176.1168.6-0.8109.6E174 V222 D223 L299 H300R172-E174 HydrophobicContact CG-CG 4.39Å; R172-E174 PolarHBondContact O-N 3.43Å; R172-V222 CarbonylContact C-O 3.59Å; R172-V222 WeakPolarHBondContact CA-O 3.28Å; R172-D223 VanDerWaalsContact CB-OD1 3.22Å; R172-D223 WeakPolarHBondContact CB-OD1 3.27Å; R172-D223 WeakPolarHBondContact CD-OD1 3.45Å; R172-D223 VanDerWaalsContact CG-OD1 3.23Å; R172-D223 WeakPolarHBondContact CG-OD1 3.42Å; R172-L299 CarbonylContact O-C 3.47Å; R172-L299 VanDerWaalsContact O-CA 3.27Å; R172-L299 WeakPolarHBondContact O-CA 3.49Å; R172-H300 HydrophobicContact CB-CB 4.13Å; R172-H300 PolarHBondContact N-O 3.03Å; R172-H300 PolarHBondContact O-N 3.06Å
173I98.2Very high96.2Very high0 Ų040.4 Ų40.40%022%0.221CC..EExtended strand (participates in β ladder)trans-81.7108.1167.9-55.9-169.5000107.8I189 V191 T207 F220 N221 V222 I224 F241 L297 L299I173-I189 HydrophobicContact CD1-CB 4.14Å; I173-I189 HydrophobicContact CD1-CD1 4.11Å; I173-I189 HydrophobicContact CD1-CG2 3.81Å; I173-I189 HydrophobicContact CG2-CD1 3.8Å; I173-V191 HydrophobicContact CD1-CG2 4.06Å; I173-T207 HydrophobicContact CD1-CG2 4Å; I173-F220 HydrophobicContact CB-CB 4.21Å; I173-F220 HydrophobicContact CG2-CB 3.82Å; I173-F220 HydrophobicContact CG2-CD2 3.9Å; I173-F220 HydrophobicContact CG2-CG 3.99Å; I173-F220 WeakPolarHBondContact O-CB 3.2Å; I173-N221 VanDerWaalsContact O-CA 3.27Å; I173-N221 WeakPolarHBondContact O-CA 3.27Å; I173-N221 PolarHBondContact O-N 3Å; I173-V222 HydrophobicContact CB-CG1 4.33Å; I173-V222 PolarHBondContact N-O 2.88Å; I173-V222 PolarHBondContact O-N 3.33Å; I173-I224 HydrophobicContact CD1-CD1 3.35Å; I173-I224 HydrophobicContact CD1-CG1 4.44Å; I173-I224 HydrophobicContact CG1-CD1 3.83Å; I173-I224 HydrophobicContact CG1-CG1 4.47Å; I173-F241 HydrophobicContact CD1-CD1 4.02Å; I173-F241 HydrophobicContact CD1-CE1 4.35Å; I173-L297 HydrophobicContact CG2-CD1 4.1Å; I173-L299 HydrophobicContact CB-CD2 4.25Å; I173-L299 HydrophobicContact CG1-CD2 3.87Å; I173-L299 HydrophobicContact CG2-CD2 4.32Å
174E97.9Very high96.2Very high60 Ų6036.9 Ų36.928%0.2821%0.205SC..EExtended strand (participates in β ladder)trans-81.1-61.4-178.5-59.9-174.1155.600110.5R172 F220 N221 H298R172-E174 HydrophobicContact CG-CG 4.39Å; R172-E174 PolarHBondContact O-N 3.43Å; E174-F220 PolarHBondContact O-N 3.32Å; E174-N221 PolarHBondContact O-N 3.15Å; E174-H298 HydrophobicContact CB-CB 4.21Å; E174-H298 PolarHBondContact N-O 2.97Å
175K97.9Very high96.1Very high53 Ų5333.6 Ų33.623%0.2318%0.18CC..EExtended strand (participates in β ladder)trans-161.3161.5-17763.2-177.2-175.9172.60111.3Y217 V218 H298K175-Y217 HydrophobicContact CB-CD1 4.33Å; K175-Y217 HydrophobicContact CD-CD1 3.62Å; K175-Y217 HydrophobicContact CD-CE1 3.96Å; K175-Y217 HydrophobicContact CD-CG 4.21Å; K175-Y217 HydrophobicContact CG-CD1 3.97Å; K175-Y217 HydrophobicContact CG-CE1 4.36Å; K175-V218 CarbonylContact C-O 3.48Å; K175-V218 WeakPolarHBondContact CA-O 3.37Å; K175-V218 WeakPolarHBondContact CB-O 3.14Å; K175-H298 HydrophobicContact CG-CB 3.91Å; K175-H298 PolarHBondContact O-N 2.97Å
176I98.5Very high96Very high2 Ų233.3 Ų33.31%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-124132.1172.4-173.8174.9000109.8L178 Y217 V218 F220 F243 L275 L297I176-L178 HydrophobicContact CD1-CD2 4.36Å; I176-L178 HydrophobicContact CD1-CG 4.47Å; I176-L178 HydrophobicContact CG1-CG 4.32Å; I176-Y217 WeakPolarHBondContact O-CA 3.37Å; I176-V218 HydrophobicContact CG2-CB 3.81Å; I176-V218 HydrophobicContact CG2-CG2 4.48Å; I176-V218 PolarHBondContact N-O 2.96Å; I176-V218 PolarHBondContact O-N 3.4Å; I176-F220 HydrophobicContact CG2-CE2 3.88Å; I176-F243 HydrophobicContact CD1-CB 3.8Å; I176-F243 HydrophobicContact CD1-CD2 3.75Å; I176-F243 HydrophobicContact CD1-CG 3.94Å; I176-F243 HydrophobicContact CG2-CD2 3.74Å; I176-F243 HydrophobicContact CG2-CE2 3.67Å; I176-L275 HydrophobicContact CD1-CD1 3.94Å; I176-L275 HydrophobicContact CD1-CD2 3.71Å; I176-L275 HydrophobicContact CG1-CD1 3.83Å; I176-L275 HydrophobicContact CG1-CD2 4.1Å; I176-L297 HydrophobicContact CB-CD1 3.94Å; I176-L297 HydrophobicContact CD1-CD1 4.45Å; I176-L297 HydrophobicContact CG1-CD1 4.25Å
177G98Very high96Very high0 Ų030.8 Ų30.80%015%0.151CC..EExtended strand (participates in β ladder)trans-87.6126.1174.600000111.6T216 L275 Y296G177-T216 CarbonylContact C-O 3.6Å; G177-T216 VanDerWaalsContact CA-O 3.27Å; G177-T216 WeakPolarHBondContact CA-O 3.49Å; G177-L275 WeakPolarHBondContact O-CD1 3.43Å; G177-Y296 PolarHBondContact N-O 3.47Å
178L97.4Very high96Very high1 Ų132.8 Ų32.81%0.00516%0.159CC..  trans-138.2150.1176.1-63169.6000109.4I176 D180 A181 T216 F243 K256 L275 L290I176-L178 HydrophobicContact CD1-CD2 4.36Å; I176-L178 HydrophobicContact CD1-CG 4.47Å; I176-L178 HydrophobicContact CG1-CG 4.32Å; L178-D180 PolarHBondContact O-N 2.93Å; L178-A181 HydrophobicContact CB-CB 4.04Å; L178-T216 PolarHBondContact N-O 3.42Å; L178-T216 CarbonylContact O-C 3.47Å; L178-T216 WeakPolarHBondContact O-CA 3.29Å; L178-T216 VanDerWaalsContact O-O 3.09Å; L178-F243 HydrophobicContact CD1-CD1 3.97Å; L178-F243 HydrophobicContact CD1-CD2 4.39Å; L178-F243 HydrophobicContact CD1-CE1 3.55Å; L178-F243 HydrophobicContact CD1-CE2 3.99Å; L178-F243 HydrophobicContact CD1-CG 4.36Å; L178-F243 HydrophobicContact CD1-CZ 3.53Å; L178-K256 HydrophobicContact CD1-CD 4.15Å; L178-L275 HydrophobicContact CD2-CD1 3.64Å; L178-L290 HydrophobicContact CD2-CD2 3.68Å
179K95Very high96Very high91 Ų9132.7 Ų32.740%0.39616%0.158SC..THydrogen-bonded Turntrans-61.4-29.7177.6-68.3-177.2-174.8175.70112E136 T291 K293 L295E136-K179 IonicContact OE1-NZ 3.24Å; E136-K179 PolarHBondContact OE1-NZ 3.23Å; E136-K179 IonicContact OE2-NZ 3.38Å; K179-T291 WeakPolarHBondContact CE-OG1 3.42Å; K179-K293 HydrophobicContact CG-CD 4.45Å; K179-L295 HydrophobicContact CG-CD1 4.08Å
180D92.4Very high96Very high47 Ų4732.8 Ų32.825%0.25116%0.159SC..THydrogen-bonded Turntrans-12935.2-170.559.8-26.9000111.6L178 G182 Q183 K256L178-D180 PolarHBondContact O-N 2.93Å; D180-G182 VanDerWaalsContact C-N 3.29Å; D180-G182 PolarHBondContact O-N 3.32Å; D180-Q183 HydrophobicContact CB-CB 4.49Å; D180-Q183 HydrophobicContact CB-CG 4.5Å; D180-Q183 WeakPolarHBondContact O-CB 3.38Å; D180-Q183 PolarHBondContact O-N 3.22Å; D180-Q183 VanDerWaalsContact O-N 3.1Å; D180-K256 WeakPolarHBondContact OD1-CE 3.43Å; D180-K256 IonicContact OD1-NZ 3.32Å; D180-K256 PolarHBondContact OD1-NZ 2.83Å; D180-K256 IonicContact OD2-NZ 2.64Å; D180-K256 PolarHBondContact OD2-NZ 2.9Å
181A93.9Very high96Very high0 Ų032.9 Ų32.90%016%0.159CC..G310 helixtrans-53.9-44.3-176.400000112.7L178 Q183 C184 D215 Y217 V218L178-A181 HydrophobicContact CB-CB 4.04Å; A181-Q183 PolarHBondContact O-N 2.8Å; A181-C184 WeakPolarHBondContact O-CB 3.26Å; A181-C184 PolarHBondContact O-N 3.05Å; A181-C184 VanDerWaalsContact O-N 3.14Å; A181-D215 PolarHBondContact N-O 3.44Å; A181-Y217 VanDerWaalsContact CB-N 3.3Å; A181-V218 HydrophobicContact CB-CG2 3.87Å
182G91Very high96Very high32 Ų3232.7 Ų32.733%0.3316%0.158SC..G310 helixtrans-60.4-29.6-17900000113.8D180 C184 K213 E214 D215D180-G182 VanDerWaalsContact C-N 3.29Å; D180-G182 PolarHBondContact O-N 3.32Å; G182-C184 VanDerWaalsContact C-N 3.35Å; G182-K213 PolarHBondContact O-NZ 3.17Å; G182-E214 WeakPolarHBondContact CA-O 3.26Å; G182-E214 PolarHBondContact N-O 3.36Å; G182-E214 VanDerWaalsContact N-O 3.09Å; G182-D215 PolarHBondContact N-O 3.34Å
183Q91.9Very high95.9Very high127 Ų12727.7 Ų27.759%0.59314%0.14SC*.G310 helixtrans-80.5-13.9-178.2-58.5-177.5-4.100113.2D180 A181 I185D180-Q183 HydrophobicContact CB-CB 4.49Å; D180-Q183 HydrophobicContact CB-CG 4.5Å; D180-Q183 WeakPolarHBondContact O-CB 3.38Å; D180-Q183 PolarHBondContact O-N 3.22Å; D180-Q183 VanDerWaalsContact O-N 3.1Å; A181-Q183 PolarHBondContact O-N 2.8Å; Q183-I185 PolarHBondContact O-N 3.35Å
184C92.7Very high95.9Very high0 Ų028.3 Ų28.30%014%0.142CC..  trans-72.5122.1179.7-62.80000110.6A181 G182 P187 K213 F243 H245A181-C184 WeakPolarHBondContact O-CB 3.26Å; A181-C184 PolarHBondContact O-N 3.05Å; A181-C184 VanDerWaalsContact O-N 3.14Å; G182-C184 VanDerWaalsContact C-N 3.35Å; C184-P187 HydrophobicContact CB-CB 4.21Å; C184-K213 WeakPolarHBondContact O-CD 3.19Å; C184-K213 PolarHBondContact O-NZ 2.83Å; C184-F243 HydrophobicContact CB-CE1 4.11Å; C184-F243 HydrophobicContact CB-CZ 3.93Å; C184-H245 HydrophobicContact CB-CB 4.03Å; C184-H245 PolarHBondContact SG-ND1 3.42Å; C184-H245 VanDerWaalsContact SG-ND1 3.38Å
185I92.9Very high95.8Very high50 Ų5026.9 Ų26.926%0.25614%0.137SC..EExtended strand (participates in β ladder)trans-94.1134.8-179-64.9163.7000109.2Q183 Y246 P248Q183-I185 PolarHBondContact O-N 3.35Å; I185-Y246 HydrophobicContact CG2-CD1 4.18Å; I185-Y246 PolarHBondContact O-N 3.09Å; I185-P248 HydrophobicContact CD1-CG 3.23Å
186D94Very high95.6Very high59 Ų5929.4 Ų29.432%0.31615%0.152SC..EExtended strand (participates in β ladder)trans41.354.2-175.8-61.3-25.9000114.3V209D186-V209 HydrophobicContact CB-CG1 4.01Å; D186-V209 HydrophobicContact CB-CG2 4.14Å
187P96Very high95.3Very high2 Ų234.3 Ų34.31%0.01318%0.178CC..EExtended strand (participates in β ladder)trans-70.7136.2-174.330.3-34.8000111.6C184 V209 A210 K213 V218 F243 K244C184-P187 HydrophobicContact CB-CB 4.21Å; P187-V209 WeakPolarHBondContact O-CA 3.44Å; P187-A210 HydrophobicContact CG-CB 3.98Å; P187-A210 PolarHBondContact O-N 3.49Å; P187-K213 HydrophobicContact CG-CD 3.98Å; P187-K213 HydrophobicContact CG-CG 4.44Å; P187-V218 HydrophobicContact CB-CG1 4.22Å; P187-V218 HydrophobicContact CG-CG1 3.73Å; P187-V218 HydrophobicContact CG-CG2 4.35Å; P187-F243 HydrophobicContact CB-CE1 4.26Å; P187-F243 HydrophobicContact CB-CE2 3.64Å; P187-F243 HydrophobicContact CB-CZ 3.37Å; P187-F243 HydrophobicContact CG-CZ 4.48Å; P187-K244 VanDerWaalsContact CA-O 3.28Å; P187-K244 WeakPolarHBondContact CA-O 3.4Å
188Y97.5Very high95Very high46 Ų4635 Ų3518%0.1819%0.185CC..EExtended strand (participates in β ladder)trans-140.4168.4171.271.5-83.6000111.2D206 K244 T253Y188-D206 HydrophobicContact CD2-CB 4.07Å; Y188-D206 HydrophobicContact CE2-CB 4.18Å; Y188-K244 HydrophobicContact CD1-CB 4.14Å; Y188-K244 HydrophobicContact CD2-CB 4.46Å; Y188-K244 HydrophobicContact CE1-CB 3.7Å; Y188-K244 HydrophobicContact CE1-CD 4.5Å; Y188-K244 HydrophobicContact CE2-CB 4.03Å; Y188-K244 HydrophobicContact CE2-CD 3.75Å; Y188-K244 HydrophobicContact CE2-CG 4.42Å; Y188-K244 PolarHBondContact N-O 3.12Å; Y188-K244 PolarHBondContact O-N 3.45Å; Y188-K244 VanDerWaalsContact OH-CD 3.24Å; Y188-K244 WeakPolarHBondContact OH-CD 3.42Å; Y188-T253 HydrophobicContact CE1-CG2 3.59Å
189I97.9Very high94.9Very high1 Ų140 Ų401%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-117.5129.3175.3-70.5167.7000109.4I173 V191 T207 F220 F241 E242 F243 L297I173-I189 HydrophobicContact CD1-CB 4.14Å; I173-I189 HydrophobicContact CD1-CD1 4.11Å; I173-I189 HydrophobicContact CD1-CG2 3.81Å; I173-I189 HydrophobicContact CG2-CD1 3.8Å; I189-V191 HydrophobicContact CG2-CG2 3.85Å; I189-T207 HydrophobicContact CB-CG2 4.11Å; I189-T207 PolarHBondContact N-OG1 3.24Å; I189-T207 PolarHBondContact O-N 3.31Å; I189-F220 HydrophobicContact CD1-CD2 3.83Å; I189-F220 HydrophobicContact CD1-CE2 3.45Å; I189-F220 VanDerWaalsContact CD1-CE2 3.45Å; I189-F220 HydrophobicContact CD1-CG 4.5Å; I189-F220 HydrophobicContact CD1-CZ 3.85Å; I189-F220 HydrophobicContact CG1-CE1 4.41Å; I189-F220 HydrophobicContact CG1-CE2 3.94Å; I189-F220 HydrophobicContact CG1-CZ 3.8Å; I189-F241 HydrophobicContact CG2-CB 4.02Å; I189-F241 HydrophobicContact CG2-CD1 4.35Å; I189-E242 CarbonylContact C-O 3.58Å; I189-E242 VanDerWaalsContact CA-O 3.29Å; I189-E242 WeakPolarHBondContact CA-O 3.37Å; I189-F243 HydrophobicContact CD1-CD2 4.49Å; I189-F243 HydrophobicContact CG1-CB 4.41Å; I189-F243 HydrophobicContact CG1-CD2 4.09Å; I189-L297 HydrophobicContact CD1-CD1 3.96Å
190T97.9Very high94.9Very high3 Ų339.1 Ų39.12%0.01821%0.21CC..EExtended strand (participates in β ladder)trans-89.5127.4165.9-63.40000108.9V204 D206 F241 E242 K244T190-V204 HydrophobicContact CG2-CG1 3.24Å; T190-D206 WeakPolarHBondContact CA-OD1 3.25Å; T190-D206 WeakPolarHBondContact CB-OD1 3.05Å; T190-D206 WeakPolarHBondContact CG2-OD1 3.49Å; T190-D206 PolarHBondContact OG1-OD1 3.43Å; T190-F241 CarbonylContact O-C 3.54Å; T190-F241 WeakPolarHBondContact O-CA 3.48Å; T190-E242 PolarHBondContact N-O 3.18Å; T190-E242 PolarHBondContact O-N 2.79Å; T190-K244 WeakPolarHBondContact OG1-CD 3.41Å; T190-K244 WeakPolarHBondContact OG1-CE 3.38Å; T190-K244 PolarHBondContact OG1-NZ 3.1Å
191V98.2Very high95.1Very high5 Ų539 Ų393%0.0321%0.21CC..EExtended strand (participates in β ladder)trans-111.3129.3175.1-177.50000110.4I173 I189 Q205 I224 I239 F240 F241I173-V191 HydrophobicContact CD1-CG2 4.06Å; I189-V191 HydrophobicContact CG2-CG2 3.85Å; V191-Q205 PolarHBondContact N-O 2.97Å; V191-Q205 PolarHBondContact O-N 3.03Å; V191-I224 HydrophobicContact CB-CD1 4.13Å; V191-I224 HydrophobicContact CB-CG2 4.45Å; V191-I224 HydrophobicContact CG1-CG2 4.35Å; V191-I224 HydrophobicContact CG2-CD1 3.34Å; V191-I239 HydrophobicContact CG1-CG2 3.89Å; V191-F240 VanDerWaalsContact CA-O 3.27Å; V191-F240 WeakPolarHBondContact CA-O 3.38Å; V191-F241 HydrophobicContact CG1-CD1 4.4Å; V191-F241 HydrophobicContact CG1-CE1 4.22Å; V191-F241 HydrophobicContact CG2-CD1 3.61Å; V191-F241 HydrophobicContact CG2-CE1 4Å
192S97.9Very high95.1Very high2 Ų239.7 Ų39.71%0.01421%0.214CC..EExtended strand (participates in β ladder)trans-140.2153.2177.561.60000111.4K194 I239 F240S192-K194 PolarHBondContact OG-NZ 2.95Å; S192-I239 CarbonylContact O-C 3.54Å; S192-I239 WeakPolarHBondContact O-CA 3.13Å; S192-F240 PolarHBondContact N-O 2.84Å; S192-F240 VanDerWaalsContact N-O 3.12Å; S192-F240 PolarHBondContact O-N 3Å
193V97.8Very high95.4Very high1 Ų141.9 Ų41.91%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-113.1118.3175.1-172.20000107.7D200 L201 T202 L226 L233 A238 I239V193-D200 CarbonylContact O-C 3.48Å; V193-D200 WeakPolarHBondContact O-CA 3.49Å; V193-L201 HydrophobicContact CB-CB 4.45Å; V193-L201 HydrophobicContact CG1-CB 4.21Å; V193-L201 HydrophobicContact CG1-CD1 4.26Å; V193-L201 PolarHBondContact O-N 3.22Å; V193-T202 HydrophobicContact CB-CG2 4.07Å; V193-T202 WeakPolarHBondContact CB-OG1 3.13Å; V193-T202 HydrophobicContact CG2-CG2 4.08Å; V193-T202 VanDerWaalsContact CG2-OG1 3.3Å; V193-T202 WeakPolarHBondContact CG2-OG1 3.15Å; V193-L226 HydrophobicContact CG2-CD1 3.27Å; V193-L226 HydrophobicContact CG2-CG 4.12Å; V193-L233 HydrophobicContact CG1-CD2 3.64Å; V193-A238 WeakPolarHBondContact CA-O 3.23Å; V193-I239 HydrophobicContact CG2-CG1 4.39Å
194K97Very high95.6Very high13 Ų1338.7 Ų38.76%0.05721%0.211CC..EExtended strand (participates in β ladder)trans-120.5146.9-171.2-58.7-103.7-164.2-97.40110.6S192 G198 I199 D200 A237 A238 F240 F282S192-K194 PolarHBondContact OG-NZ 2.95Å; K194-G198 WeakPolarHBondContact CD-O 3.23Å; K194-I199 CarbonylContact C-O 3.59Å; K194-I199 VanDerWaalsContact CA-O 3.26Å; K194-I199 WeakPolarHBondContact CA-O 3.43Å; K194-D200 IonicContact NZ-OD1 3.1Å; K194-D200 PolarHBondContact NZ-OD1 3.26Å; K194-D200 IonicContact NZ-OD2 2.97Å; K194-D200 PolarHBondContact NZ-OD2 3.47Å; K194-A237 CarbonylContact O-C 3.56Å; K194-A237 WeakPolarHBondContact O-CA 3.24Å; K194-A238 PolarHBondContact N-O 2.69Å; K194-A238 PolarHBondContact O-N 3.5Å; K194-F240 HydrophobicContact CB-CD2 3.92Å; K194-F240 HydrophobicContact CB-CE2 3.78Å; K194-F240 HydrophobicContact CG-CD2 3.78Å; K194-F240 HydrophobicContact CG-CE2 4.07Å; K194-F282 HydrophobicContact CD-CB 4.24Å; K194-F282 HydrophobicContact CD-CD1 3.75Å; K194-F282 HydrophobicContact CD-CE1 4.23Å; K194-F282 HydrophobicContact CD-CG 3.95Å; K194-F282 HydrophobicContact CG-CD1 3.89Å; K194-F282 HydrophobicContact CG-CE1 4.45Å; K194-F282 HydrophobicContact CG-CG 4.46Å
195D95.4Very high95.8Very high30 Ų3038.9 Ų38.916%0.1621%0.212CC..  trans-78.7-174.9172.480.2-10.9000112.5N197 G198 I199 L201D195-N197 PolarHBondContact O-N 3.48Å; D195-N197 VanDerWaalsContact O-N 3.17Å; D195-N197 VanDerWaalsContact OD1-CA 3.28Å; D195-N197 WeakPolarHBondContact OD1-CA 3.16Å; D195-N197 WeakPolarHBondContact OD1-CB 3.24Å; D195-N197 PolarHBondContact OD1-N 3.46Å; D195-N197 PolarHBondContact OD2-ND2 2.77Å; D195-G198 PolarHBondContact O-N 2.58Å; D195-G198 VanDerWaalsContact O-N 3.11Å; D195-G198 PolarHBondContact OD1-N 3.36Å; D195-I199 PolarHBondContact N-O 3.12Å; D195-I199 PolarHBondContact OD1-N 3.42Å; D195-L201 HydrophobicContact CB-CD1 4.02Å; D195-L201 HydrophobicContact CB-CD2 4.13Å; D195-L201 HydrophobicContact CB-CG 4.09Å
196L94.1Very high96.1Very high105 Ų10538.4 Ų38.455%0.5521%0.21SC..THydrogen-bonded Turntrans-60.5-21.8175.9-75.4169.6000114.1G236L196-G236 WeakPolarHBondContact CD2-O 3.31Å
197N93Very high96.2Very high105 Ų10535.7 Ų35.756%0.56120%0.196SC*.THydrogen-bonded Turntrans-94.9-3.3-179.5-58.5-59000112.6D195 I199 K283D195-N197 PolarHBondContact O-N 3.48Å; D195-N197 VanDerWaalsContact O-N 3.17Å; D195-N197 VanDerWaalsContact OD1-CA 3.28Å; D195-N197 WeakPolarHBondContact OD1-CA 3.16Å; D195-N197 WeakPolarHBondContact OD1-CB 3.24Å; D195-N197 PolarHBondContact OD1-N 3.46Å; D195-N197 PolarHBondContact OD2-ND2 2.77Å; N197-I199 HydrophobicContact CB-CG1 4.13Å; N197-K283 WeakPolarHBondContact O-CE 3.34Å
198G91.9Very high96.2Very high14 Ų1438.5 Ų38.514%0.14421%0.214CC..SBendtrans80.423.4-17600000113.7K194 D195K194-G198 WeakPolarHBondContact CD-O 3.23Å; D195-G198 PolarHBondContact O-N 2.58Å; D195-G198 VanDerWaalsContact O-N 3.11Å; D195-G198 PolarHBondContact OD1-N 3.36Å
199I93.8Very high96.1Very high106 Ų10637.8 Ų37.854%0.54422%0.215SC..  trans-95.2136.8177.8-55.1-59.1000110K194 D195 N197 L201K194-I199 CarbonylContact C-O 3.59Å; K194-I199 VanDerWaalsContact CA-O 3.26Å; K194-I199 WeakPolarHBondContact CA-O 3.43Å; D195-I199 PolarHBondContact N-O 3.12Å; D195-I199 PolarHBondContact OD1-N 3.42Å; N197-I199 HydrophobicContact CB-CG1 4.13Å; I199-L201 PolarHBondContact O-N 3.16Å
200D95.6Very high95.9Very high73 Ų7338.5 Ų38.539%0.3922%0.22SC..BIsolated β-bridgetrans-61126.9177.4-77.4-63.1000112.7V193 K194V193-D200 CarbonylContact O-C 3.48Å; V193-D200 WeakPolarHBondContact O-CA 3.49Å; K194-D200 IonicContact NZ-OD1 3.1Å; K194-D200 PolarHBondContact NZ-OD1 3.26Å; K194-D200 IonicContact NZ-OD2 2.97Å; K194-D200 PolarHBondContact NZ-OD2 3.47Å
201L96.1Very high94.9Very high45 Ų4543.7 Ų43.724%0.23626%0.257CS..SBendtrans-97.1-16174-68.2171.8000112.5V193 D195 I199 L233 A237V193-L201 HydrophobicContact CB-CB 4.45Å; V193-L201 HydrophobicContact CG1-CB 4.21Å; V193-L201 HydrophobicContact CG1-CD1 4.26Å; V193-L201 PolarHBondContact O-N 3.22Å; D195-L201 HydrophobicContact CB-CD1 4.02Å; D195-L201 HydrophobicContact CB-CD2 4.13Å; D195-L201 HydrophobicContact CB-CG 4.09Å; I199-L201 PolarHBondContact O-N 3.16Å; L201-L233 HydrophobicContact CD1-CD2 4.31Å; L201-A237 HydrophobicContact CD1-CB 3.59Å
202T95Very high94.6Very high14 Ų1450 Ų509%0.08628%0.28CS..SBendtrans-142.2162.2179.2660000110.2V193 V204 Q227 K228V193-T202 HydrophobicContact CB-CG2 4.07Å; V193-T202 WeakPolarHBondContact CB-OG1 3.13Å; V193-T202 HydrophobicContact CG2-CG2 4.08Å; V193-T202 VanDerWaalsContact CG2-OG1 3.3Å; V193-T202 WeakPolarHBondContact CG2-OG1 3.15Å; T202-V204 PolarHBondContact O-N 2.99Å; T202-Q227 HydrophobicContact CG2-CB 4.34Å; T202-K228 HydrophobicContact CG2-CB 3.76Å; T202-K228 HydrophobicContact CG2-CD 4.29Å
203P96.1Very high94.3Very high78 Ų7854.1 Ų54.151%0.50630%0.298SS..  trans-54.2138.7166.9-24.134.5000111.6L157L157-P203 HydrophobicContact CD1-CB 3.99Å; L157-P203 HydrophobicContact CD1-CG 4.33Å
204V96.9Very high94.1Very high60 Ų6057.5 Ų57.536%0.36431%0.313SS..  trans-72.6139.7172.9-179.50000109T190 T202T190-V204 HydrophobicContact CG2-CG1 3.24Å; T202-V204 PolarHBondContact O-N 2.99Å
205Q97.8Very high93.8Very high4 Ų463.6 Ų63.62%0.01935%0.347CS..EExtended strand (participates in β ladder)trans-127.5132.9-177.5-65179.778.300110.6L156 L157 V191 E225L156-Q205 HydrophobicContact CD2-CB 4.04Å; L157-Q205 HydrophobicContact CD1-CG 4.29Å; L157-Q205 HydrophobicContact CG-CG 4.28Å; V191-Q205 PolarHBondContact N-O 2.97Å; V191-Q205 PolarHBondContact O-N 3.03Å; Q205-E225 PolarHBondContact NE2-O 2.93Å
206D97.4Very high93.8Very high40 Ų4064.9 Ų64.921%0.21436%0.356CS..EExtended strand (participates in β ladder)trans-106.7132.5176.7-66.9-35000110.2G154 T155 L156 Y188 T190G154-D206 CarbonylContact C-O 3.49Å; G154-D206 VanDerWaalsContact CA-O 3.27Å; G154-D206 WeakPolarHBondContact CA-O 3.35Å; T155-D206 PolarHBondContact N-O 2.99Å; T155-D206 WeakPolarHBondContact OG1-CB 3.41Å; T155-D206 PolarHBondContact OG1-N 3.05Å; L156-D206 WeakPolarHBondContact CD2-O 3.18Å; L156-D206 WeakPolarHBondContact CG-O 3.18Å; Y188-D206 HydrophobicContact CD2-CB 4.07Å; Y188-D206 HydrophobicContact CE2-CB 4.18Å; T190-D206 WeakPolarHBondContact CA-OD1 3.25Å; T190-D206 WeakPolarHBondContact CB-OD1 3.05Å; T190-D206 WeakPolarHBondContact CG2-OD1 3.49Å; T190-D206 PolarHBondContact OG1-OD1 3.43Å
207T97.4Very high94Very high3 Ų362 Ų622%0.01834%0.338CS..PPolyproline II helixtrans-64.9155.8168.7690000110.2I173 I189 F220 V222 I224I173-T207 HydrophobicContact CD1-CG2 4Å; I189-T207 HydrophobicContact CB-CG2 4.11Å; I189-T207 PolarHBondContact N-OG1 3.24Å; I189-T207 PolarHBondContact O-N 3.31Å; T207-F220 HydrophobicContact CG2-CD1 4.49Å; T207-F220 WeakPolarHBondContact OG1-CE1 3.22Å; T207-V222 HydrophobicContact CG2-CG1 3.65Å; T207-I224 HydrophobicContact CG2-CD1 3.83Å
208P95.4Very high94.2Very high60 Ų6057 Ų5739%0.3931%0.311SS..PPolyproline II helixtrans-54.5158.5158.2-21.733.6000110.9A210P208-A210 PolarHBondContact O-N 3.04Å
209V94.9Very high94.4Very high32 Ų3257.4 Ų57.419%0.19431%0.309CS..PPolyproline II helixtrans-56.5132.8169.4174.70000109.6D186 P187 S211D186-V209 HydrophobicContact CB-CG1 4.01Å; D186-V209 HydrophobicContact CB-CG2 4.14Å; P187-V209 WeakPolarHBondContact O-CA 3.44Å; V209-S211 PolarHBondContact O-N 3.43Å
210A93.6Very high94.6Very high15 Ų1553.1 Ų53.112%0.12429%0.287CS..PPolyproline II helixtrans-57.9136.1-178.800000111.5P187 P208 V218 F220P187-A210 HydrophobicContact CG-CB 3.98Å; P187-A210 PolarHBondContact O-N 3.49Å; P208-A210 PolarHBondContact O-N 3.04Å; A210-V218 HydrophobicContact CB-CG1 3.2Å; A210-F220 HydrophobicContact CB-CD1 3.95Å; A210-F220 HydrophobicContact CB-CE1 3.62Å; A210-F220 HydrophobicContact CB-CE2 4.4Å; A210-F220 HydrophobicContact CB-CG 4.46Å; A210-F220 HydrophobicContact CB-CZ 3.88Å
211S78.1Confident94.6Very high112 Ų11253.7 Ų53.778%0.78329%0.29SS*.SBendtrans-85.9-22.2-175.756.90000113.6V209V209-S211 PolarHBondContact O-N 3.43Å
212R90.9Very high94.6Very high138 Ų13852.9 Ų52.952%0.52129%0.287SS..EExtended strand (participates in β ladder)trans-135.2129.6-175.6174.3-177.6173.7-175.91.1111.1E214 H219R212-E214 IonicContact CZ-OE1 2.62Å; R212-E214 VanDerWaalsContact CZ-OE1 3.32Å; R212-E214 IonicContact NE-OE1 3.36Å; R212-E214 PolarHBondContact NE-OE1 2.99Å; R212-E214 IonicContact NH2-OE1 3.46Å; R212-E214 PolarHBondContact NH2-OE1 3.2Å; R212-H219 HydrophobicContact CB-CB 4.13Å; R212-H219 HydrophobicContact CG-CB 4.37Å; R212-H219 PolarHBondContact O-N 2.84Å
213K92.6Very high94.8Very high89 Ų8956.2 Ų56.239%0.38730%0.304SS..EExtended strand (participates in β ladder)trans-124.4144.2173.9-60-172.7-66.9163.30109.9G182 C184 P187 V218G182-K213 PolarHBondContact O-NZ 3.17Å; C184-K213 WeakPolarHBondContact O-CD 3.19Å; C184-K213 PolarHBondContact O-NZ 2.83Å; P187-K213 HydrophobicContact CG-CD 3.98Å; P187-K213 HydrophobicContact CG-CG 4.44Å; K213-V218 HydrophobicContact CG-CG1 4.32Å; K213-V218 HydrophobicContact CG-CG2 4.24Å
214E92.8Very high94.8Very high71 Ų7152.7 Ų52.733%0.33228%0.281SS..  trans-123.3178.6170.1-57.3-175.7168.500108.2G182 R212 T216 Y217 H219G182-E214 WeakPolarHBondContact CA-O 3.26Å; G182-E214 PolarHBondContact N-O 3.36Å; G182-E214 VanDerWaalsContact N-O 3.09Å; R212-E214 IonicContact CZ-OE1 2.62Å; R212-E214 VanDerWaalsContact CZ-OE1 3.32Å; R212-E214 IonicContact NE-OE1 3.36Å; R212-E214 PolarHBondContact NE-OE1 2.99Å; R212-E214 IonicContact NH2-OE1 3.46Å; R212-E214 PolarHBondContact NH2-OE1 3.2Å; E214-T216 VanDerWaalsContact C-N 3.26Å; E214-T216 PolarHBondContact O-N 3.43Å; E214-Y217 PolarHBondContact N-O 3.41Å; E214-H219 IonicContact OE1-NE2 2.71Å; E214-H219 PolarHBondContact OE1-NE2 3.24Å; E214-H219 IonicContact OE2-NE2 2.64Å
215D90.9Very high94.9Very high141 Ų14150.9 Ų50.975%0.75427%0.268SS*.SBendtrans-57.2-41.6-179.9-66.6-15000112.2A181 G182A181-D215 PolarHBondContact N-O 3.44Å; G182-D215 PolarHBondContact N-O 3.34Å
216T95.9Very high94.9Very high58 Ų5851 Ų5136%0.35627%0.269SS..SBendtrans-119.4-1.7-174.356.80000115G177 L178 E214G177-T216 CarbonylContact C-O 3.6Å; G177-T216 VanDerWaalsContact CA-O 3.27Å; G177-T216 WeakPolarHBondContact CA-O 3.49Å; L178-T216 PolarHBondContact N-O 3.42Å; L178-T216 CarbonylContact O-C 3.47Å; L178-T216 WeakPolarHBondContact O-CA 3.29Å; L178-T216 VanDerWaalsContact O-O 3.09Å; E214-T216 VanDerWaalsContact C-N 3.26Å; E214-T216 PolarHBondContact O-N 3.43Å
217Y97.3Very high94.9Very high44 Ų4450.7 Ų50.717%0.17327%0.266CS..EExtended strand (participates in β ladder)trans-133.3141179.9-73.8-79.1000113.1K175 I176 A181 E214 H298K175-Y217 HydrophobicContact CB-CD1 4.33Å; K175-Y217 HydrophobicContact CD-CD1 3.62Å; K175-Y217 HydrophobicContact CD-CE1 3.96Å; K175-Y217 HydrophobicContact CD-CG 4.21Å; K175-Y217 HydrophobicContact CG-CD1 3.97Å; K175-Y217 HydrophobicContact CG-CE1 4.36Å; I176-Y217 WeakPolarHBondContact O-CA 3.37Å; A181-Y217 VanDerWaalsContact CB-N 3.3Å; E214-Y217 PolarHBondContact N-O 3.41Å; Y217-H298 AromaticContact CE1-CE1 3.9Å
218V97.5Very high94.9Very high0 Ų053.2 Ų53.20%028%0.277CS..EExtended strand (participates in β ladder)trans-110.6125.1162.9-179.70000108K175 I176 A181 P187 A210 K213 F220 F243K175-V218 CarbonylContact C-O 3.48Å; K175-V218 WeakPolarHBondContact CA-O 3.37Å; K175-V218 WeakPolarHBondContact CB-O 3.14Å; I176-V218 HydrophobicContact CG2-CB 3.81Å; I176-V218 HydrophobicContact CG2-CG2 4.48Å; I176-V218 PolarHBondContact N-O 2.96Å; I176-V218 PolarHBondContact O-N 3.4Å; A181-V218 HydrophobicContact CB-CG2 3.87Å; P187-V218 HydrophobicContact CB-CG1 4.22Å; P187-V218 HydrophobicContact CG-CG1 3.73Å; P187-V218 HydrophobicContact CG-CG2 4.35Å; A210-V218 HydrophobicContact CB-CG1 3.2Å; K213-V218 HydrophobicContact CG-CG1 4.32Å; K213-V218 HydrophobicContact CG-CG2 4.24Å; V218-F220 HydrophobicContact CB-CE2 4.29Å; V218-F220 HydrophobicContact CG1-CD2 4.38Å; V218-F220 HydrophobicContact CG1-CE2 3.74Å; V218-F220 HydrophobicContact CG1-CZ 3.96Å; V218-F243 HydrophobicContact CB-CE2 4.29Å; V218-F243 HydrophobicContact CG1-CE2 4.42Å; V218-F243 HydrophobicContact CG2-CE2 4.18Å; V218-F243 HydrophobicContact CG2-CZ 4.16Å
219H97.5Very high94.9Very high22 Ų2250.6 Ų50.610%0.10226%0.26CS..EExtended strand (participates in β ladder)trans-101.2127.4-177.9-66.2-100.5000111R212 E214R212-H219 HydrophobicContact CB-CB 4.13Å; R212-H219 HydrophobicContact CG-CB 4.37Å; R212-H219 PolarHBondContact O-N 2.84Å; E214-H219 IonicContact OE1-NE2 2.71Å; E214-H219 PolarHBondContact OE1-NE2 3.24Å; E214-H219 IonicContact OE2-NE2 2.64Å
220F96.7Very high95Very high17 Ų1750.3 Ų50.38%0.07526%0.258CS..EExtended strand (participates in β ladder)trans-103.9-52.6-180-75.1-82.4000111.3I173 E174 I176 I189 T207 A210 V218 V222 F243I173-F220 HydrophobicContact CB-CB 4.21Å; I173-F220 HydrophobicContact CG2-CB 3.82Å; I173-F220 HydrophobicContact CG2-CD2 3.9Å; I173-F220 HydrophobicContact CG2-CG 3.99Å; I173-F220 WeakPolarHBondContact O-CB 3.2Å; E174-F220 PolarHBondContact O-N 3.32Å; I176-F220 HydrophobicContact CG2-CE2 3.88Å; I189-F220 HydrophobicContact CD1-CD2 3.83Å; I189-F220 HydrophobicContact CD1-CE2 3.45Å; I189-F220 VanDerWaalsContact CD1-CE2 3.45Å; I189-F220 HydrophobicContact CD1-CG 4.5Å; I189-F220 HydrophobicContact CD1-CZ 3.85Å; I189-F220 HydrophobicContact CG1-CE1 4.41Å; I189-F220 HydrophobicContact CG1-CE2 3.94Å; I189-F220 HydrophobicContact CG1-CZ 3.8Å; T207-F220 HydrophobicContact CG2-CD1 4.49Å; T207-F220 WeakPolarHBondContact OG1-CE1 3.22Å; A210-F220 HydrophobicContact CB-CD1 3.95Å; A210-F220 HydrophobicContact CB-CE1 3.62Å; A210-F220 HydrophobicContact CB-CE2 4.4Å; A210-F220 HydrophobicContact CB-CG 4.46Å; A210-F220 HydrophobicContact CB-CZ 3.88Å; V218-F220 HydrophobicContact CB-CE2 4.29Å; V218-F220 HydrophobicContact CG1-CD2 4.38Å; V218-F220 HydrophobicContact CG1-CE2 3.74Å; V218-F220 HydrophobicContact CG1-CZ 3.96Å; F220-V222 VanDerWaalsContact C-N 3.27Å; F220-V222 HydrophobicContact CB-CG1 4.18Å; F220-V222 PolarHBondContact O-N 2.84Å; F220-F243 HydrophobicContact CE2-CD2 4.41Å; F220-F243 HydrophobicContact CE2-CE2 4.28Å; F220-F243 HydrophobicContact CZ-CD2 4.39Å; F220-F243 HydrophobicContact CZ-CE2 4.22Å
221N96.3Very high95.1Very high84 Ų8454.1 Ų54.145%0.44927%0.273SS..EExtended strand (participates in β ladder)trans49.346.3-174.9-65.3-55.4000113.1I173 E174I173-N221 VanDerWaalsContact O-CA 3.27Å; I173-N221 WeakPolarHBondContact O-CA 3.27Å; I173-N221 PolarHBondContact O-N 3Å; E174-N221 PolarHBondContact O-N 3.15Å
222V96.6Very high95.9Very high29 Ų2952.9 Ų52.918%0.17625%0.254CS..EExtended strand (participates in β ladder)trans-122.9139.6-177.573.60000110.8L156 R172 I173 T207 F220L156-V222 HydrophobicContact CD1-CG1 4.48Å; L156-V222 HydrophobicContact CD1-CG2 3.35Å; R172-V222 CarbonylContact C-O 3.59Å; R172-V222 WeakPolarHBondContact CA-O 3.28Å; I173-V222 HydrophobicContact CB-CG1 4.33Å; I173-V222 PolarHBondContact N-O 2.88Å; I173-V222 PolarHBondContact O-N 3.33Å; T207-V222 HydrophobicContact CG2-CG1 3.65Å; F220-V222 VanDerWaalsContact C-N 3.27Å; F220-V222 HydrophobicContact CB-CG1 4.18Å; F220-V222 PolarHBondContact O-N 2.84Å
223D97.8Very high96.1Very high83 Ų8347.1 Ų47.144%0.44423%0.233SC..EExtended strand (participates in β ladder)trans-88.5136.6175.4-67.3-13.3000109.9T170 R172T170-D223 HydrophobicContact CG2-CB 3.85Å; R172-D223 VanDerWaalsContact CB-OD1 3.22Å; R172-D223 WeakPolarHBondContact CB-OD1 3.27Å; R172-D223 WeakPolarHBondContact CD-OD1 3.45Å; R172-D223 VanDerWaalsContact CG-OD1 3.23Å; R172-D223 WeakPolarHBondContact CG-OD1 3.42Å
224I97.6Very high96.1Very high4 Ų446.1 Ų46.12%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-120.9129.2175.3-57.6-178.2000108.2L156 T170 I171 I173 V191 T207L156-I224 HydrophobicContact CD1-CG1 4.42Å; L156-I224 HydrophobicContact CD2-CD1 4.16Å; L156-I224 HydrophobicContact CD2-CG1 3.86Å; L156-I224 HydrophobicContact CD2-CG2 4.46Å; T170-I224 WeakPolarHBondContact CA-O 3.43Å; I171-I224 PolarHBondContact N-O 3.4Å; I171-I224 PolarHBondContact O-N 3.5Å; I173-I224 HydrophobicContact CD1-CD1 3.35Å; I173-I224 HydrophobicContact CD1-CG1 4.44Å; I173-I224 HydrophobicContact CG1-CD1 3.83Å; I173-I224 HydrophobicContact CG1-CG1 4.47Å; V191-I224 HydrophobicContact CB-CD1 4.13Å; V191-I224 HydrophobicContact CB-CG2 4.45Å; V191-I224 HydrophobicContact CG1-CG2 4.35Å; V191-I224 HydrophobicContact CG2-CD1 3.34Å; T207-I224 HydrophobicContact CG2-CD1 3.83Å
225E98.1Very high96Very high22 Ų2252.3 Ų52.310%0.10326%0.26CS..EExtended strand (participates in β ladder)trans-98.9118.2-178.5-58.1-69-17600109.3R159 T170 Q205 Q227R159-E225 HydrophobicContact CB-CB 4.32Å; R159-E225 HydrophobicContact CB-CG 3.91Å; R159-E225 IonicContact CZ-OE1 2.72Å; R159-E225 IonicContact CZ-OE2 3.69Å; R159-E225 IonicContact NE-OE1 3.92Å; R159-E225 PolarHBondContact NE-OE1 3.44Å; R159-E225 VanDerWaalsContact NE-OE1 3.13Å; R159-E225 IonicContact NE-OE2 2.64Å; R159-E225 PolarHBondContact NE-OE2 3.29Å; R159-E225 VanDerWaalsContact NE-OE2 3.14Å; R159-E225 IonicContact NH2-OE1 2.68Å; R159-E225 PolarHBondContact NH2-OE1 2.93Å; R159-E225 IonicContact NH2-OE2 2.7Å; T170-E225 WeakPolarHBondContact CB-OE2 3.36Å; T170-E225 VanDerWaalsContact OG1-CD 3.26Å; T170-E225 PolarHBondContact OG1-OE1 2.98Å; T170-E225 PolarHBondContact OG1-OE2 3.44Å; Q205-E225 PolarHBondContact NE2-O 2.93Å; E225-Q227 PolarHBondContact O-N 3.41Å; E225-Q227 PolarHBondContact O-NE2 3.31Å
226L97.2Very high96.1Very high8 Ų846.7 Ų46.74%0.04224%0.235CC..  trans-67.2122.8178.6-15770000109.5L169 V193 K228 L233 I239L169-L226 HydrophobicContact CB-CB 4.19Å; L169-L226 HydrophobicContact CB-CD2 4.34Å; L169-L226 HydrophobicContact CD2-CD2 4.21Å; L169-L226 WeakPolarHBondContact O-CB 3.26Å; L169-L226 PolarHBondContact O-N 3.49Å; V193-L226 HydrophobicContact CG2-CD1 3.27Å; V193-L226 HydrophobicContact CG2-CG 4.12Å; L226-K228 PolarHBondContact O-N 3.29Å; L226-L233 HydrophobicContact CD2-CD1 3.73Å; L226-I239 HydrophobicContact CD1-CD1 3.83Å; L226-I239 HydrophobicContact CD1-CG1 4.22Å; L226-I239 HydrophobicContact CD1-CG2 4.47Å; L226-I239 HydrophobicContact CD2-CD1 3.9Å
227Q97.9Very high96.2Very high33 Ų3343.9 Ų43.915%0.15422%0.218CC..SBendtrans-81.836.1-174.5-60.9-62.8-63.500112.8L157 P158 L160 T202 E225L157-Q227 HydrophobicContact CB-CG 4.14Å; L157-Q227 HydrophobicContact CD1-CG 3.79Å; P158-Q227 PolarHBondContact O-NE2 2.9Å; L160-Q227 VanDerWaalsContact CD1-C 3.4Å; T202-Q227 HydrophobicContact CG2-CB 4.34Å; E225-Q227 PolarHBondContact O-N 3.41Å; E225-Q227 PolarHBondContact O-NE2 3.31Å
228K96.5Very high96.2Very high55 Ų5541.8 Ų41.824%0.23921%0.21CC..SBendtrans-162.1138.8173.2-158.5157-178.4-174.50110.2T202 L226 K232 L233T202-K228 HydrophobicContact CG2-CB 3.76Å; T202-K228 HydrophobicContact CG2-CD 4.29Å; L226-K228 PolarHBondContact O-N 3.29Å; K228-K232 WeakPolarHBondContact CE-O 3.42Å; K228-K232 HydrophobicContact CG-CB 4.07Å; K228-K232 PolarHBondContact NZ-O 2.83Å; K228-L233 HydrophobicContact CB-CD2 4.19Å; K228-L233 HydrophobicContact CB-CG 4.46Å; K228-L233 HydrophobicContact CD-CD2 3.85Å; K228-L233 HydrophobicContact CD-CG 4.44Å; K228-L233 HydrophobicContact CG-CD2 4.24Å; K228-L233 HydrophobicContact CG-CG 4.4Å
229H96.6Very high96.3Very high6 Ų641.8 Ų41.83%0.02821%0.21CC..  trans-59.6140.1170.1-67.491.9000110.7P161 E163 M166 T167 E231 K232P161-H229 PolarHBondContact O-CE1 3.22Å; P161-H229 PolarHBondContact O-NE2 3.08Å; E163-H229 VanDerWaalsContact CD-CE1 3.5Å; E163-H229 PolarHBondContact N-NE2 3.41Å; E163-H229 IonicContact OE1-CE1 3.92Å; E163-H229 PolarHBondContact OE1-CE1 3.33Å; E163-H229 IonicContact OE1-ND1 3.47Å; E163-H229 PolarHBondContact OE1-ND1 3.35Å; M166-H229 HydrophobicContact CB-CB 4.1Å; M166-H229 WeakPolarHBondContact CB-CD2 3.35Å; M166-H229 HydrophobicContact SD-CB 4.39Å; T167-H229 CarbonylContact O-C 3.58Å; T167-H229 WeakPolarHBondContact O-CA 3.49Å; H229-E231 VanDerWaalsContact C-N 3.27Å; H229-E231 PolarHBondContact O-N 2.92Å; H229-K232 HydrophobicContact CB-CB 4.45Å; H229-K232 HydrophobicContact CB-CD 4.22Å; H229-K232 HydrophobicContact CB-CG 4.17Å; H229-K232 PolarHBondContact O-N 3.17Å
230V96.4Very high96.3Very high26 Ų2640.8 Ų40.816%0.15821%0.205CC..G310 helixtrans-57.9-41.2-172.7176.50000111.3T167 L169 K232 L233 M263 I266T167-V230 HydrophobicContact CG2-CG2 4.23Å; T167-V230 PolarHBondContact O-N 3.49Å; L169-V230 HydrophobicContact CB-CG2 4.02Å; V230-K232 PolarHBondContact O-N 2.87Å; V230-L233 WeakPolarHBondContact O-CB 3.2Å; V230-L233 PolarHBondContact O-N 3.28Å; V230-M263 HydrophobicContact CG1-CE 3.99Å; V230-I266 HydrophobicContact CG1-CD1 4.31Å
231E95.3Very high96.4Very high94 Ų9440.1 Ų40.144%0.43920%0.203SC..G310 helixtrans-68.8-21.2-179.6-61.176.8-170.800112.9M166 T167 H229 L233M166-E231 HydrophobicContact SD-CB 3.81Å; M166-E231 HydrophobicContact SD-CG 4.32Å; T167-E231 VanDerWaalsContact CB-OE1 3.24Å; T167-E231 WeakPolarHBondContact CB-OE1 3.42Å; T167-E231 PolarHBondContact N-OE1 3.15Å; T167-E231 PolarHBondContact N-OE2 3.19Å; T167-E231 PolarHBondContact OG1-OE1 3.15Å; H229-E231 VanDerWaalsContact C-N 3.27Å; H229-E231 PolarHBondContact O-N 2.92Å; E231-L233 VanDerWaalsContact C-N 3.35Å
232K95.4Very high96.5Very high86 Ų8636.6 Ų36.637%0.37418%0.183SC..G310 helixtrans-87.4-4177.9-64.3-175.4-177.11780112.7E163 M166 K228 H229 V230E163-K232 IonicContact OE1-NZ 2.73Å; E163-K232 PolarHBondContact OE1-NZ 2.81Å; E163-K232 WeakPolarHBondContact OE2-CE 3.42Å; E163-K232 IonicContact OE2-NZ 3Å; E163-K232 PolarHBondContact OE2-NZ 3.41Å; M166-K232 HydrophobicContact SD-CG 4.35Å; K228-K232 WeakPolarHBondContact CE-O 3.42Å; K228-K232 HydrophobicContact CG-CB 4.07Å; K228-K232 PolarHBondContact NZ-O 2.83Å; H229-K232 HydrophobicContact CB-CB 4.45Å; H229-K232 HydrophobicContact CB-CD 4.22Å; H229-K232 HydrophobicContact CB-CG 4.17Å; H229-K232 PolarHBondContact O-N 3.17Å; V230-K232 PolarHBondContact O-N 2.87Å
233L94.7Very high96.6Very high18 Ų1835.3 Ų35.39%0.09418%0.176CC..SBendtrans-78.8135.5176.1-70.4164.6000110.6V193 L201 L226 K228 V230 E231 A237 M263V193-L233 HydrophobicContact CG1-CD2 3.64Å; L201-L233 HydrophobicContact CD1-CD2 4.31Å; L226-L233 HydrophobicContact CD2-CD1 3.73Å; K228-L233 HydrophobicContact CB-CD2 4.19Å; K228-L233 HydrophobicContact CB-CG 4.46Å; K228-L233 HydrophobicContact CD-CD2 3.85Å; K228-L233 HydrophobicContact CD-CG 4.44Å; K228-L233 HydrophobicContact CG-CD2 4.24Å; K228-L233 HydrophobicContact CG-CG 4.4Å; V230-L233 WeakPolarHBondContact O-CB 3.2Å; V230-L233 PolarHBondContact O-N 3.28Å; E231-L233 VanDerWaalsContact C-N 3.35Å; L233-A237 HydrophobicContact CB-CB 4.49Å; L233-M263 HydrophobicContact CB-CE 3.64Å; L233-M263 HydrophobicContact CB-SD 3.96Å; L233-M263 HydrophobicContact CD1-CE 3.48Å; L233-M263 VanDerWaalsContact CD1-CE 3.48Å; L233-M263 HydrophobicContact CD1-SD 3.81Å; L233-M263 HydrophobicContact CG-CE 4.18Å; L233-M263 HydrophobicContact CG-SD 4.45Å
234T93.1Very high96.5Very high68 Ų6833.1 Ų33.142%0.41716%0.162SC..PPolyproline II helixtrans-68.3147.6179.8490000110.7G236 A237T234-G236 PolarHBondContact O-N 3.08Å; T234-A237 VanDerWaalsContact O-CB 3.23Å; T234-A237 WeakPolarHBondContact O-CB 3.36Å; T234-A237 PolarHBondContact O-N 2.87Å
235K91.7Very high96.3Very high201 Ų20134 Ų3487%0.87417%0.166SC*.THydrogen-bonded Turntrans-55.7132.2172.3-69.1-172.9177.9-177.40110.4A237K235-A237 VanDerWaalsContact C-N 3.34Å
236G93Very high96Very high22 Ų2235.5 Ų35.523%0.22717%0.171CC..THydrogen-bonded Turntrans82.46.8-177.600000115.1L196 T234 R284L196-G236 WeakPolarHBondContact CD2-O 3.31Å; T234-G236 PolarHBondContact O-N 3.08Å; G236-R284 PolarHBondContact O-NH1 2.78Å; G236-R284 PolarHBondContact O-NH2 2.68Å
237A97Very high95.6Very high0 Ų037 Ų370%018%0.177CC..  trans-63.4153.9164.600000111.1K194 L201 L233 T234 K235 M263K194-A237 CarbonylContact O-C 3.56Å; K194-A237 WeakPolarHBondContact O-CA 3.24Å; L201-A237 HydrophobicContact CD1-CB 3.59Å; L233-A237 HydrophobicContact CB-CB 4.49Å; T234-A237 VanDerWaalsContact O-CB 3.23Å; T234-A237 WeakPolarHBondContact O-CB 3.36Å; T234-A237 PolarHBondContact O-N 2.87Å; K235-A237 VanDerWaalsContact C-N 3.34Å; A237-M263 HydrophobicContact CB-CG 4.24Å; A237-M263 HydrophobicContact CB-SD 4.06Å; A237-M263 WeakPolarHBondContact O-CG 3.1Å
238A98Very high95Very high0 Ų038.3 Ų38.30%019%0.189CC..EExtended strand (participates in β ladder)trans-143.1152.8171.500000111.2V193 K194 F240 F260 M261 R284V193-A238 WeakPolarHBondContact CA-O 3.23Å; K194-A238 PolarHBondContact N-O 2.69Å; K194-A238 PolarHBondContact O-N 3.5Å; A238-F240 HydrophobicContact CB-CD2 4.36Å; A238-F240 HydrophobicContact CB-CE2 3.8Å; A238-F240 HydrophobicContact CB-CZ 4.48Å; A238-F260 HydrophobicContact CB-CD2 4.31Å; A238-M261 CarbonylContact C-O 3.54Å; A238-M261 VanDerWaalsContact CA-O 3.29Å; A238-M261 WeakPolarHBondContact CA-O 3.38Å; A238-M261 WeakPolarHBondContact CB-O 3.35Å; A238-R284 VanDerWaalsContact CB-NH1 3.26Å
239I98.3Very high94.3Very high0 Ų045.1 Ų45.10%022%0.218CC..EExtended strand (participates in β ladder)trans-96.3119.1175.1-52.1179.1000107.5L169 I171 V191 S192 V193 L226 F241 F260 M261 I266L169-I239 HydrophobicContact CD2-CD1 3.83Å; I171-I239 HydrophobicContact CD1-CD1 3.83Å; I171-I239 HydrophobicContact CD1-CG2 4.33Å; V191-I239 HydrophobicContact CG1-CG2 3.89Å; S192-I239 CarbonylContact O-C 3.54Å; S192-I239 WeakPolarHBondContact O-CA 3.13Å; V193-I239 HydrophobicContact CG2-CG1 4.39Å; L226-I239 HydrophobicContact CD1-CD1 3.83Å; L226-I239 HydrophobicContact CD1-CG1 4.22Å; L226-I239 HydrophobicContact CD1-CG2 4.47Å; L226-I239 HydrophobicContact CD2-CD1 3.9Å; I239-F241 HydrophobicContact CB-CE2 4.34Å; I239-F241 HydrophobicContact CB-CZ 4.46Å; I239-F241 HydrophobicContact CG2-CE1 4.32Å; I239-F241 HydrophobicContact CG2-CE2 3.92Å; I239-F241 HydrophobicContact CG2-CZ 3.68Å; I239-F260 CarbonylContact O-C 3.57Å; I239-F260 WeakPolarHBondContact O-CA 3.29Å; I239-M261 HydrophobicContact CD1-CE 3.72Å; I239-M261 PolarHBondContact N-O 2.94Å; I239-M261 PolarHBondContact O-N 3.3Å; I239-I266 HydrophobicContact CD1-CD1 4.45Å
240F98.5Very high93.5Very high0 Ų046.8 Ų46.80%023%0.225CC..EExtended strand (participates in β ladder)trans-100.1145.7-180-75-99.9000111V191 S192 K194 A238 F258 A259 F260 T280 F282 R284V191-F240 VanDerWaalsContact CA-O 3.27Å; V191-F240 WeakPolarHBondContact CA-O 3.38Å; S192-F240 PolarHBondContact N-O 2.84Å; S192-F240 VanDerWaalsContact N-O 3.12Å; S192-F240 PolarHBondContact O-N 3Å; K194-F240 HydrophobicContact CB-CD2 3.92Å; K194-F240 HydrophobicContact CB-CE2 3.78Å; K194-F240 HydrophobicContact CG-CD2 3.78Å; K194-F240 HydrophobicContact CG-CE2 4.07Å; A238-F240 HydrophobicContact CB-CD2 4.36Å; A238-F240 HydrophobicContact CB-CE2 3.8Å; A238-F240 HydrophobicContact CB-CZ 4.48Å; F240-F258 HydrophobicContact CD1-CD2 4.2Å; F240-F258 HydrophobicContact CE1-CD2 4.36Å; F240-F258 HydrophobicContact CE1-CE2 4.36Å; F240-A259 WeakPolarHBondContact CA-O 3.34Å; F240-F260 HydrophobicContact CD1-CB 3.76Å; F240-F260 HydrophobicContact CD2-CB 4.38Å; F240-F260 HydrophobicContact CE1-CB 3.79Å; F240-F260 HydrophobicContact CE1-CD1 4.43Å; F240-F260 HydrophobicContact CE1-CG 4.22Å; F240-F260 HydrophobicContact CE2-CB 4.39Å; F240-F260 HydrophobicContact CG-CB 4.07Å; F240-F260 HydrophobicContact CZ-CB 4.11Å; F240-F260 HydrophobicContact CZ-CG 4.44Å; F240-T280 HydrophobicContact CD1-CG2 3.86Å; F240-T280 HydrophobicContact CE1-CG2 4.24Å; F240-F282 HydrophobicContact CB-CE1 4.42Å; F240-F282 AromaticContact CD1-CD1 3.77Å; F240-F282 HydrophobicContact CD1-CD1 3.77Å; F240-F282 HydrophobicContact CD1-CE1 4.14Å; F240-F282 HydrophobicContact CD2-CD1 4.19Å; F240-F282 AromaticContact CE1-CD1 3.91Å; F240-F282 HydrophobicContact CE1-CD1 3.91Å; F240-F282 HydrophobicContact CE2-CD1 4.33Å; F240-F282 AromaticContact CG-CD1 3.92Å; F240-F282 HydrophobicContact CG-CD1 3.92Å; F240-F282 HydrophobicContact CG-CE1 4.2Å; F240-F282 HydrophobicContact CZ-CB 4.38Å; F240-F282 HydrophobicContact CZ-CD1 4.19Å; F240-F282 WeakPolarHBondContact CZ-O 3.43Å; F240-R284 HydrophobicContact CE1-CG 4.3Å; F240-R284 HydrophobicContact CZ-CG 3.85Å
241F98.6Very high93Very high4 Ų454.4 Ų54.42%0.01825%0.251CS..EExtended strand (participates in β ladder)trans-129103.5175.6-53.7-92.3000108.1I171 I173 I189 T190 V191 I239 F258 A259 M261 I273 L297 L299I171-F241 HydrophobicContact CD1-CZ 3.92Å; I171-F241 HydrophobicContact CG2-CE1 4.24Å; I171-F241 HydrophobicContact CG2-CZ 4.26Å; I173-F241 HydrophobicContact CD1-CD1 4.02Å; I173-F241 HydrophobicContact CD1-CE1 4.35Å; I189-F241 HydrophobicContact CG2-CB 4.02Å; I189-F241 HydrophobicContact CG2-CD1 4.35Å; T190-F241 CarbonylContact O-C 3.54Å; T190-F241 WeakPolarHBondContact O-CA 3.48Å; V191-F241 HydrophobicContact CG1-CD1 4.4Å; V191-F241 HydrophobicContact CG1-CE1 4.22Å; V191-F241 HydrophobicContact CG2-CD1 3.61Å; V191-F241 HydrophobicContact CG2-CE1 4Å; I239-F241 HydrophobicContact CB-CE2 4.34Å; I239-F241 HydrophobicContact CB-CZ 4.46Å; I239-F241 HydrophobicContact CG2-CE1 4.32Å; I239-F241 HydrophobicContact CG2-CE2 3.92Å; I239-F241 HydrophobicContact CG2-CZ 3.68Å; F241-F258 CarbonylContact O-C 3.59Å; F241-F258 WeakPolarHBondContact O-CA 3.31Å; F241-A259 HydrophobicContact CB-CB 4.37Å; F241-A259 HydrophobicContact CD2-CB 4.45Å; F241-A259 PolarHBondContact N-O 3.35Å; F241-A259 PolarHBondContact O-N 3.34Å; F241-M261 HydrophobicContact CE2-CB 4.35Å; F241-I273 HydrophobicContact CE2-CD1 4.43Å; F241-L297 HydrophobicContact CB-CD2 3.51Å; F241-L297 HydrophobicContact CD1-CD2 4.01Å; F241-L297 HydrophobicContact CD2-CD2 3.85Å; F241-L297 HydrophobicContact CG-CD2 3.52Å; F241-L299 HydrophobicContact CD2-CD1 4.45Å; F241-L299 HydrophobicContact CE1-CD1 4.07Å; F241-L299 HydrophobicContact CE1-CD2 4.25Å; F241-L299 HydrophobicContact CE2-CD1 3.78Å; F241-L299 HydrophobicContact CZ-CD1 3.56Å
242E98.2Very high92.3Very high10 Ų1051.3 Ų51.35%0.04724%0.237CC..EExtended strand (participates in β ladder)trans-97.9115.9177.9-59.3-178.697.100109.2Q27 I189 T190 T255 F258 T280Q27-E242 PolarHBondContact NE2-OE1 3.39Å; I189-E242 CarbonylContact C-O 3.58Å; I189-E242 VanDerWaalsContact CA-O 3.29Å; I189-E242 WeakPolarHBondContact CA-O 3.37Å; T190-E242 PolarHBondContact N-O 3.18Å; T190-E242 PolarHBondContact O-N 2.79Å; E242-T255 HydrophobicContact CB-CG2 4.07Å; E242-F258 HydrophobicContact CG-CB 4.25Å; E242-T280 HydrophobicContact CG-CG2 4.08Å; E242-T280 VanDerWaalsContact OE1-CB 3.28Å; E242-T280 WeakPolarHBondContact OE1-CB 3.38Å; E242-T280 PolarHBondContact OE1-OG1 3.46Å
243F98Very high92Very high2 Ų249.8 Ų49.81%0.00924%0.235CC..EExtended strand (participates in β ladder)trans-81.5121.2173.4179.8-86.5000109.7I176 L178 C184 P187 I189 V218 F220 H245 K256 C257I176-F243 HydrophobicContact CD1-CB 3.8Å; I176-F243 HydrophobicContact CD1-CD2 3.75Å; I176-F243 HydrophobicContact CD1-CG 3.94Å; I176-F243 HydrophobicContact CG2-CD2 3.74Å; I176-F243 HydrophobicContact CG2-CE2 3.67Å; L178-F243 HydrophobicContact CD1-CD1 3.97Å; L178-F243 HydrophobicContact CD1-CD2 4.39Å; L178-F243 HydrophobicContact CD1-CE1 3.55Å; L178-F243 HydrophobicContact CD1-CE2 3.99Å; L178-F243 HydrophobicContact CD1-CG 4.36Å; L178-F243 HydrophobicContact CD1-CZ 3.53Å; C184-F243 HydrophobicContact CB-CE1 4.11Å; C184-F243 HydrophobicContact CB-CZ 3.93Å; P187-F243 HydrophobicContact CB-CE1 4.26Å; P187-F243 HydrophobicContact CB-CE2 3.64Å; P187-F243 HydrophobicContact CB-CZ 3.37Å; P187-F243 HydrophobicContact CG-CZ 4.48Å; I189-F243 HydrophobicContact CD1-CD2 4.49Å; I189-F243 HydrophobicContact CG1-CB 4.41Å; I189-F243 HydrophobicContact CG1-CD2 4.09Å; V218-F243 HydrophobicContact CB-CE2 4.29Å; V218-F243 HydrophobicContact CG1-CE2 4.42Å; V218-F243 HydrophobicContact CG2-CE2 4.18Å; V218-F243 HydrophobicContact CG2-CZ 4.16Å; F220-F243 HydrophobicContact CE2-CD2 4.41Å; F220-F243 HydrophobicContact CE2-CE2 4.28Å; F220-F243 HydrophobicContact CZ-CD2 4.39Å; F220-F243 HydrophobicContact CZ-CE2 4.22Å; F243-H245 HydrophobicContact CE1-CB 4.2Å; F243-K256 HydrophobicContact CD1-CB 3.9Å; F243-K256 HydrophobicContact CD1-CD 4.18Å; F243-K256 HydrophobicContact CE1-CB 4.44Å; F243-K256 HydrophobicContact CE1-CD 4.06Å; F243-K256 PolarHBondContact O-N 2.85Å; F243-C257 PolarHBondContact N-O 3.28Å
244K96.6Very high91.7Very high36 Ų3649 Ų4916%0.15723%0.23CC..EExtended strand (participates in β ladder)trans-117.7145.8-177.2-68.8179.8-177.5168.60110.4P187 Y188 T190 T253 S254 T255P187-K244 VanDerWaalsContact CA-O 3.28Å; P187-K244 WeakPolarHBondContact CA-O 3.4Å; Y188-K244 HydrophobicContact CD1-CB 4.14Å; Y188-K244 HydrophobicContact CD2-CB 4.46Å; Y188-K244 HydrophobicContact CE1-CB 3.7Å; Y188-K244 HydrophobicContact CE1-CD 4.5Å; Y188-K244 HydrophobicContact CE2-CB 4.03Å; Y188-K244 HydrophobicContact CE2-CD 3.75Å; Y188-K244 HydrophobicContact CE2-CG 4.42Å; Y188-K244 PolarHBondContact N-O 3.12Å; Y188-K244 PolarHBondContact O-N 3.45Å; Y188-K244 VanDerWaalsContact OH-CD 3.24Å; Y188-K244 WeakPolarHBondContact OH-CD 3.42Å; T190-K244 WeakPolarHBondContact OG1-CD 3.41Å; T190-K244 WeakPolarHBondContact OG1-CE 3.38Å; T190-K244 PolarHBondContact OG1-NZ 3.1Å; K244-T253 HydrophobicContact CB-CG2 3.88Å; K244-S254 WeakPolarHBondContact CA-O 3.41Å; K244-T255 WeakPolarHBondContact CE-OG1 3.49Å
245H94.2Very high91.8Very high22 Ų2245.8 Ų45.810%0.10221%0.211CC..EExtended strand (participates in β ladder)trans-146.2156.6175.276.1169.5000111.1C184 F243 T253 S254C184-H245 HydrophobicContact CB-CB 4.03Å; C184-H245 PolarHBondContact SG-ND1 3.42Å; C184-H245 VanDerWaalsContact SG-ND1 3.38Å; F243-H245 HydrophobicContact CE1-CB 4.2Å; H245-T253 CarbonylContact O-C 3.56Å; H245-T253 VanDerWaalsContact O-CA 3.3Å; H245-T253 WeakPolarHBondContact O-CA 3.32Å; H245-S254 PolarHBondContact N-O 2.96Å; H245-S254 PolarHBondContact O-N 3.26Å
246Y91.5Very high91.9Very high54 Ų5438.1 Ų38.121%0.21218%0.177CC..EExtended strand (participates in β ladder)trans-77.7131.4172.9-176.2-110.4000110.5F148 I185 P248 R251F148-Y246 HydrophobicContact CD1-CE1 4.43Å; F148-Y246 AromaticContact CE1-CE1 3.94Å; F148-Y246 HydrophobicContact CE1-CE1 3.94Å; I185-Y246 HydrophobicContact CG2-CD1 4.18Å; I185-Y246 PolarHBondContact O-N 3.09Å; Y246-P248 HydrophobicContact CD1-CG 4.1Å; Y246-P248 HydrophobicContact CE1-CB 4.18Å; Y246-P248 HydrophobicContact CE1-CG 4.2Å; Y246-P248 WeakPolarHBondContact O-CD 3.38Å; Y246-R251 WeakPolarHBondContact OH-CA 3.5Å
247K89Confident92.1Very high39 Ų3937.1 Ų37.117%0.1717%0.167CC..EExtended strand (participates in β ladder)trans-101.5101.5172.4-75.8-169.9167.2-161.10109.4E132 K249 K250 R251 F252E132-K247 IonicContact OE1-NZ 3.49Å; E132-K247 PolarHBondContact OE1-NZ 3.02Å; E132-K247 VanDerWaalsContact OE1-NZ 3.1Å; E132-K247 IonicContact OE2-NZ 2.69Å; E132-K247 PolarHBondContact OE2-NZ 3.27Å; K247-K249 PolarHBondContact O-N 3.4Å; K247-K250 HydrophobicContact CB-CB 4.06Å; K247-K250 HydrophobicContact CB-CG 4.31Å; K247-K250 HydrophobicContact CD-CG 4.22Å; K247-K250 CarbonylContact O-C 3.51Å; K247-K250 PolarHBondContact O-N 3.42Å; K247-R251 PolarHBondContact O-N 3.41Å; K247-F252 PolarHBondContact N-O 3.19Å
248P84.1Confident92.2Very high61 Ų6137.2 Ų37.240%0.39617%0.167SC..THydrogen-bonded Turntrans-58.6-42.2-173.6-25.333.3000114.3I185 Y246 K250 R251I185-P248 HydrophobicContact CD1-CG 3.23Å; Y246-P248 HydrophobicContact CD1-CG 4.1Å; Y246-P248 HydrophobicContact CE1-CB 4.18Å; Y246-P248 HydrophobicContact CE1-CG 4.2Å; Y246-P248 WeakPolarHBondContact O-CD 3.38Å; P248-K250 PolarHBondContact O-N 3.48Å; P248-R251 WeakPolarHBondContact O-CG 3.22Å; P248-R251 PolarHBondContact O-N 3.4Å
249K82.5Confident92.2Very high199 Ų19937.2 Ų37.287%0.86517%0.167SC*.THydrogen-bonded Turntrans-61.2-30.8178.4-68.6-173177.9-177.50112.7K247K247-K249 PolarHBondContact O-N 3.4Å
250K79.8Confident92.2Very high40 Ų4038.2 Ų38.217%0.17417%0.171CC..THydrogen-bonded Turntrans-99.3-11.9-178.6-57.7-70.8-174.2168.40113.1L129 K247 P248 F252L129-K250 HydrophobicContact CD2-CD 4.13Å; K247-K250 HydrophobicContact CB-CB 4.06Å; K247-K250 HydrophobicContact CB-CG 4.31Å; K247-K250 HydrophobicContact CD-CG 4.22Å; K247-K250 CarbonylContact O-C 3.51Å; K247-K250 PolarHBondContact O-N 3.42Å; P248-K250 PolarHBondContact O-N 3.48Å; K250-F252 HydrophobicContact CB-CD1 3.35Å; K250-F252 HydrophobicContact CB-CE1 3.28Å; K250-F252 HydrophobicContact CB-CG 4.42Å; K250-F252 HydrophobicContact CB-CZ 4.31Å; K250-F252 HydrophobicContact CD-CE1 4.37Å; K250-F252 HydrophobicContact CG-CD1 4.43Å; K250-F252 HydrophobicContact CG-CE1 3.88Å; K250-F252 WeakPolarHBondContact O-CD1 3.13Å; K250-F252 PolarHBondContact O-N 2.96Å
251R84.8Confident92.1Very high186 Ų18638.2 Ų38.270%0.70217%0.171SC*.THydrogen-bonded Turntrans57.431.8179.7-54.717765171.30.3114Y246 K247 P248Y246-R251 WeakPolarHBondContact OH-CA 3.5Å; K247-R251 PolarHBondContact O-N 3.41Å; P248-R251 WeakPolarHBondContact O-CG 3.22Å; P248-R251 PolarHBondContact O-N 3.4Å
252F81.8Confident92Very high30 Ų3040.4 Ų40.413%0.13218%0.182CC..EExtended strand (participates in β ladder)trans-143.2162.817676.9-98.6000112.2V29 D33 K247 K250 S254V29-F252 HydrophobicContact CG1-CB 4.06Å; V29-F252 HydrophobicContact CG1-CD2 3.37Å; V29-F252 HydrophobicContact CG1-CE2 3.92Å; V29-F252 HydrophobicContact CG1-CG 3.87Å; D33-F252 HydrophobicContact CB-CE1 3.99Å; D33-F252 HydrophobicContact CB-CZ 4.31Å; D33-F252 WeakPolarHBondContact OD2-CE1 3.3Å; K247-F252 PolarHBondContact N-O 3.19Å; K250-F252 HydrophobicContact CB-CD1 3.35Å; K250-F252 HydrophobicContact CB-CE1 3.28Å; K250-F252 HydrophobicContact CB-CG 4.42Å; K250-F252 HydrophobicContact CB-CZ 4.31Å; K250-F252 HydrophobicContact CD-CE1 4.37Å; K250-F252 HydrophobicContact CG-CD1 4.43Å; K250-F252 HydrophobicContact CG-CE1 3.88Å; K250-F252 WeakPolarHBondContact O-CD1 3.13Å; K250-F252 PolarHBondContact O-N 2.96Å; F252-S254 VanDerWaalsContact CE2-CB 3.45Å
253T88.4Confident91.8Very high54 Ų5442 Ų4233%0.33119%0.19SC..EExtended strand (participates in β ladder)trans-90.1121.1174-64.20000110.3Y188 K244 H245Y188-T253 HydrophobicContact CE1-CG2 3.59Å; K244-T253 HydrophobicContact CB-CG2 3.88Å; H245-T253 CarbonylContact O-C 3.56Å; H245-T253 VanDerWaalsContact O-CA 3.3Å; H245-T253 WeakPolarHBondContact O-CA 3.32Å
254S89.4Confident91.7Very high0 Ų047.8 Ų47.80%022%0.221CC..EExtended strand (participates in β ladder)trans-113.5147.5-179.2-169.20000111.7E30 K244 H245 F252 K256E30-S254 WeakPolarHBondContact OE1-CA 3.45Å; E30-S254 PolarHBondContact OE1-OG 2.85Å; K244-S254 WeakPolarHBondContact CA-O 3.41Å; H245-S254 PolarHBondContact N-O 2.96Å; H245-S254 PolarHBondContact O-N 3.26Å; F252-S254 VanDerWaalsContact CE2-CB 3.45Å; S254-K256 PolarHBondContact O-N 3.42Å
255T93.8Very high91.6Very high2 Ų249.2 Ų49.21%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-71118.5164.8-570000109.3Q27 E30 E242 K244 K278Q27-T255 PolarHBondContact OE1-OG1 3.29Å; E30-T255 PolarHBondContact OE1-N 3.21Å; E242-T255 HydrophobicContact CB-CG2 4.07Å; K244-T255 WeakPolarHBondContact CE-OG1 3.49Å; T255-K278 WeakPolarHBondContact O-CB 3.28Å; T255-K278 WeakPolarHBondContact O-CD 3.14Å
256K94.4Very high91.7Very high40 Ų4049.1 Ų49.117%0.17423%0.228CC..EExtended strand (participates in β ladder)trans-84-44.4177.5-174.7-178.5173.368.70111.4L178 D180 F243 S254L178-K256 HydrophobicContact CD1-CD 4.15Å; D180-K256 WeakPolarHBondContact OD1-CE 3.43Å; D180-K256 IonicContact OD1-NZ 3.32Å; D180-K256 PolarHBondContact OD1-NZ 2.83Å; D180-K256 IonicContact OD2-NZ 2.64Å; D180-K256 PolarHBondContact OD2-NZ 2.9Å; F243-K256 HydrophobicContact CD1-CB 3.9Å; F243-K256 HydrophobicContact CD1-CD 4.18Å; F243-K256 HydrophobicContact CE1-CB 4.44Å; F243-K256 HydrophobicContact CE1-CD 4.06Å; F243-K256 PolarHBondContact O-N 2.85Å; S254-K256 PolarHBondContact O-N 3.42Å
257C97.5Very high92Very high0 Ų052.9 Ų52.90%025%0.245CC..EExtended strand (participates in β ladder)trans-159.8165.9-176.9580000110.2F243 L275 Y276 L290F243-C257 PolarHBondContact N-O 3.28Å; C257-L275 HydrophobicContact CB-CB 4.44Å; C257-Y276 CarbonylContact C-O 3.56Å; C257-Y276 WeakPolarHBondContact CA-O 3.4Å; C257-Y276 WeakPolarHBondContact CB-O 3.44Å; C257-L290 HydrophobicContact CB-CD1 4.25Å; C257-L290 HydrophobicContact CB-CD2 3.69Å; C257-L290 HydrophobicContact CB-CG 4.41Å
258F98.3Very high92.4Very high3 Ų355.9 Ų55.91%0.01327%0.269CS..EExtended strand (participates in β ladder)trans-135.4156.3176.171.8-81.6000111.7F240 F241 E242 F260 Y276 K277 P279 T280 D281 L287F240-F258 HydrophobicContact CD1-CD2 4.2Å; F240-F258 HydrophobicContact CE1-CD2 4.36Å; F240-F258 HydrophobicContact CE1-CE2 4.36Å; F241-F258 CarbonylContact O-C 3.59Å; F241-F258 WeakPolarHBondContact O-CA 3.31Å; E242-F258 HydrophobicContact CG-CB 4.25Å; F258-F260 HydrophobicContact CD2-CD1 4.41Å; F258-F260 HydrophobicContact CE2-CD1 4.05Å; F258-Y276 HydrophobicContact CD2-CD2 4.47Å; F258-Y276 HydrophobicContact CE1-CG 4.48Å; F258-Y276 HydrophobicContact CE2-CD2 4.1Å; F258-Y276 HydrophobicContact CE2-CG 4.28Å; F258-Y276 VanDerWaalsContact CZ-CB 3.45Å; F258-Y276 HydrophobicContact CZ-CD2 4.38Å; F258-Y276 HydrophobicContact CZ-CG 4.1Å; F258-Y276 PolarHBondContact N-O 2.89Å; F258-Y276 PolarHBondContact O-N 3.26Å; F258-K277 VanDerWaalsContact CE1-O 3.23Å; F258-K277 WeakPolarHBondContact CE1-O 3.42Å; F258-P279 WeakPolarHBondContact CE1-O 3.42Å; F258-T280 HydrophobicContact CB-CG2 3.92Å; F258-T280 HydrophobicContact CD1-CG2 4.18Å; F258-T280 HydrophobicContact CD2-CG2 3.79Å; F258-T280 HydrophobicContact CE2-CG2 4.29Å; F258-T280 HydrophobicContact CG-CG2 3.71Å; F258-D281 HydrophobicContact CZ-CB 4.42Å; F258-L287 HydrophobicContact CE2-CD2 4.02Å; F258-L287 HydrophobicContact CZ-CD2 3.76Å
259A98.6Very high93Very high0 Ų053.7 Ų53.70%026%0.258CS..EExtended strand (participates in β ladder)trans-124.7161.9164.500000108.4F240 F241 I273 E274 L275 L297F240-A259 WeakPolarHBondContact CA-O 3.34Å; F241-A259 HydrophobicContact CB-CB 4.37Å; F241-A259 HydrophobicContact CD2-CB 4.45Å; F241-A259 PolarHBondContact N-O 3.35Å; F241-A259 PolarHBondContact O-N 3.34Å; A259-I273 HydrophobicContact CB-CB 4.31Å; A259-I273 HydrophobicContact CB-CG2 3.84Å; A259-E274 WeakPolarHBondContact CB-O 3.02Å; A259-L275 HydrophobicContact CB-CD2 4.15Å; A259-L297 HydrophobicContact CB-CB 4.4Å; A259-L297 HydrophobicContact CB-CD2 3.86Å
260F98.3Very high93.8Very high20 Ų2049.4 Ų49.49%0.08825%0.25CC..EExtended strand (participates in β ladder)trans-145156.9169.668.3-85000110.5A238 I239 F240 F258 E262 I273 Y276 R284 L287A238-F260 HydrophobicContact CB-CD2 4.31Å; I239-F260 CarbonylContact O-C 3.57Å; I239-F260 WeakPolarHBondContact O-CA 3.29Å; F240-F260 HydrophobicContact CD1-CB 3.76Å; F240-F260 HydrophobicContact CD2-CB 4.38Å; F240-F260 HydrophobicContact CE1-CB 3.79Å; F240-F260 HydrophobicContact CE1-CD1 4.43Å; F240-F260 HydrophobicContact CE1-CG 4.22Å; F240-F260 HydrophobicContact CE2-CB 4.39Å; F240-F260 HydrophobicContact CG-CB 4.07Å; F240-F260 HydrophobicContact CZ-CB 4.11Å; F240-F260 HydrophobicContact CZ-CG 4.44Å; F258-F260 HydrophobicContact CD2-CD1 4.41Å; F258-F260 HydrophobicContact CE2-CD1 4.05Å; F260-E262 HydrophobicContact CD2-CG 4.48Å; F260-E262 HydrophobicContact CE2-CG 4.16Å; F260-E262 WeakPolarHBondContact CE2-OE1 3.2Å; F260-I273 WeakPolarHBondContact O-CG2 3.43Å; F260-Y276 HydrophobicContact CD1-CD2 4.17Å; F260-Y276 HydrophobicContact CD1-CE2 4.01Å; F260-Y276 AromaticContact CE1-CD2 3.96Å; F260-Y276 HydrophobicContact CE1-CD2 3.96Å; F260-Y276 AromaticContact CE1-CE2 3.5Å; F260-Y276 HydrophobicContact CE1-CE2 3.5Å; F260-Y276 VanDerWaalsContact CE1-CE2 3.5Å; F260-Y276 HydrophobicContact CZ-CE2 4.4Å; F260-R284 HydrophobicContact CD1-CG 4.13Å; F260-R284 HydrophobicContact CD2-CG 4Å; F260-R284 HydrophobicContact CE1-CB 4.47Å; F260-R284 HydrophobicContact CE1-CG 3.94Å; F260-R284 HydrophobicContact CE2-CB 4.48Å; F260-R284 VanDerWaalsContact CE2-CD 3.41Å; F260-R284 HydrophobicContact CE2-CG 3.81Å; F260-R284 HydrophobicContact CG-CG 4.16Å; F260-R284 HydrophobicContact CZ-CB 4.15Å; F260-R284 HydrophobicContact CZ-CG 3.78Å; F260-L287 HydrophobicContact CE1-CD1 3.7Å; F260-L287 HydrophobicContact CE1-CD2 3.88Å; F260-L287 HydrophobicContact CE1-CG 4.46Å; F260-L287 HydrophobicContact CZ-CD1 3.75Å
261M97.1Very high94.7Very high0 Ų049.1 Ų49.10%025%0.25CC..EExtended strand (participates in β ladder)trans-126.7126.4176.4-172.617662.600109L169 I171 A238 I239 F241 E265 I266 I271 I273 Q301L169-M261 HydrophobicContact CD2-CE 4.36Å; I171-M261 HydrophobicContact CD1-CE 3.75Å; A238-M261 CarbonylContact C-O 3.54Å; A238-M261 VanDerWaalsContact CA-O 3.29Å; A238-M261 WeakPolarHBondContact CA-O 3.38Å; A238-M261 WeakPolarHBondContact CB-O 3.35Å; I239-M261 HydrophobicContact CD1-CE 3.72Å; I239-M261 PolarHBondContact N-O 2.94Å; I239-M261 PolarHBondContact O-N 3.3Å; F241-M261 HydrophobicContact CE2-CB 4.35Å; M261-E265 WeakPolarHBondContact CA-OE2 3.45Å; M261-E265 HydrophobicContact CG-CB 3.47Å; M261-E265 VanDerWaalsContact CG-CB 3.47Å; M261-E265 HydrophobicContact CG-CG 4.43Å; M261-E265 HydrophobicContact SD-CB 4.19Å; M261-I266 HydrophobicContact CE-CG1 3.83Å; M261-I271 HydrophobicContact SD-CD1 4.22Å; M261-I273 HydrophobicContact CB-CD1 3.8Å; M261-I273 HydrophobicContact CG-CD1 4.24Å; M261-I273 HydrophobicContact SD-CD1 4.47Å; M261-Q301 PolarHBondContact SD-NE2 3.5Å; M261-Q301 VanDerWaalsContact SD-NE2 3.44Å
262E96Very high95.3Very high50 Ų5043.9 Ų43.923%0.23424%0.239CC..EExtended strand (participates in β ladder)trans-75.5162.3173.9-64.3-71.617200111.6F260 D264 E265 R284F260-E262 HydrophobicContact CD2-CG 4.48Å; F260-E262 HydrophobicContact CE2-CG 4.16Å; F260-E262 WeakPolarHBondContact CE2-OE1 3.2Å; E262-D264 VanDerWaalsContact C-N 3.26Å; E262-D264 WeakPolarHBondContact CB-OD1 3.4Å; E262-D264 PolarHBondContact O-N 3.07Å; E262-E265 HydrophobicContact CB-CG 4.32Å; E262-E265 PolarHBondContact N-OE2 2.84Å; E262-E265 WeakPolarHBondContact O-CB 3.47Å; E262-E265 PolarHBondContact O-N 3.25Å; E262-E265 VanDerWaalsContact O-N 3.15Å; E262-R284 WeakPolarHBondContact OE1-CD 3.43Å; E262-R284 IonicContact OE1-CZ 3.39Å; E262-R284 IonicContact OE1-NE 2.8Å; E262-R284 IonicContact OE1-NH1 2.6Å; E262-R284 PolarHBondContact OE1-NH1 3.4Å; E262-R284 IonicContact OE2-CZ 3.14Å; E262-R284 IonicContact OE2-NH1 3.13Å; E262-R284 PolarHBondContact OE2-NH1 3.09Å
263M93.9Very high96.1Very high45 Ų4542.7 Ų42.722%0.22223%0.234CC..G310 helixtrans-60.4-31.5-179.2-67-52-5800114.2V230 L233 A237 E265 I266V230-M263 HydrophobicContact CG1-CE 3.99Å; L233-M263 HydrophobicContact CB-CE 3.64Å; L233-M263 HydrophobicContact CB-SD 3.96Å; L233-M263 HydrophobicContact CD1-CE 3.48Å; L233-M263 VanDerWaalsContact CD1-CE 3.48Å; L233-M263 HydrophobicContact CD1-SD 3.81Å; L233-M263 HydrophobicContact CG-CE 4.18Å; L233-M263 HydrophobicContact CG-SD 4.45Å; A237-M263 HydrophobicContact CB-CG 4.24Å; A237-M263 HydrophobicContact CB-SD 4.06Å; A237-M263 WeakPolarHBondContact O-CG 3.1Å; M263-E265 VanDerWaalsContact C-N 3.29Å; M263-I266 HydrophobicContact CE-CD1 3.47Å; M263-I266 VanDerWaalsContact CE-CD1 3.47Å; M263-I266 PolarHBondContact O-N 3.21Å; M263-I266 HydrophobicContact SD-CD1 3.93Å
264D94.8Very high96.5Very high123 Ų12343.7 Ų43.766%0.65824%0.235SC*.G310 helixtrans-80.8-9.5-179.463.9-31000113.6E262 I266 K267E262-D264 VanDerWaalsContact C-N 3.26Å; E262-D264 WeakPolarHBondContact CB-OD1 3.4Å; E262-D264 PolarHBondContact O-N 3.07Å; D264-I266 VanDerWaalsContact C-N 3.35Å; D264-K267 VanDerWaalsContact O-CE 3.3Å; D264-K267 WeakPolarHBondContact O-CE 3.39Å
265E96.3Very high96.9Very high65 Ų6544 Ų4430%0.30424%0.236SC..G310 helixtrans-86.8-7.1171.7-61.5-177.390.400112.7M261 E262 M263 K267 I271 Q301M261-E265 WeakPolarHBondContact CA-OE2 3.45Å; M261-E265 HydrophobicContact CG-CB 3.47Å; M261-E265 VanDerWaalsContact CG-CB 3.47Å; M261-E265 HydrophobicContact CG-CG 4.43Å; M261-E265 HydrophobicContact SD-CB 4.19Å; E262-E265 HydrophobicContact CB-CG 4.32Å; E262-E265 PolarHBondContact N-OE2 2.84Å; E262-E265 WeakPolarHBondContact O-CB 3.47Å; E262-E265 PolarHBondContact O-N 3.25Å; E262-E265 VanDerWaalsContact O-N 3.15Å; M263-E265 VanDerWaalsContact C-N 3.29Å; E265-K267 PolarHBondContact O-N 3.23Å; E265-I271 HydrophobicContact CB-CD1 4.27Å; E265-Q301 PolarHBondContact O-NE2 2.94Å; E265-Q301 VanDerWaalsContact O-NE2 3.09Å
266I96.1Very high97.1Very high20 Ų2045.1 Ų45.110%0.10324%0.24CC..  trans-71.6102.9177.3-60.8172.8000110.3L169 V230 I239 M261 M263 D264 Q301 L303L169-I266 HydrophobicContact CD1-CG2 4.02Å; L169-I266 HydrophobicContact CD2-CD1 4.04Å; L169-I266 HydrophobicContact CD2-CG1 4.11Å; L169-I266 HydrophobicContact CD2-CG2 3.87Å; V230-I266 HydrophobicContact CG1-CD1 4.31Å; I239-I266 HydrophobicContact CD1-CD1 4.45Å; M261-I266 HydrophobicContact CE-CG1 3.83Å; M263-I266 HydrophobicContact CE-CD1 3.47Å; M263-I266 VanDerWaalsContact CE-CD1 3.47Å; M263-I266 PolarHBondContact O-N 3.21Å; M263-I266 HydrophobicContact SD-CD1 3.93Å; D264-I266 VanDerWaalsContact C-N 3.35Å; I266-Q301 VanDerWaalsContact CA-OE1 3.26Å; I266-L303 HydrophobicContact CG2-CD1 4.38Å; I266-L303 HydrophobicContact CG2-CD2 4.4Å; I266-L303 HydrophobicContact CG2-CG 4.49Å
267K96.2Very high97.2Very high133 Ų13347.1 Ų47.158%0.57825%0.249SC*.  trans-147.4145-177-64.4176.8-171.4160.80109.9D264 E265 Q301D264-K267 VanDerWaalsContact O-CE 3.3Å; D264-K267 WeakPolarHBondContact O-CE 3.39Å; E265-K267 PolarHBondContact O-N 3.23Å; K267-Q301 WeakPolarHBondContact O-CB 3.45Å; K267-Q301 VanDerWaalsContact O-CD 3.28Å; K267-Q301 PolarHBondContact O-NE2 2.96Å
268P97.6Very high96.9Very high103 Ų10350 Ų5067%0.66926%0.261SS*.SBendtrans-63.7141.5179.326.6-34.1000111.4L303P268-L303 HydrophobicContact CB-CD1 4.15Å
269G98.3Very high96.7Very high15 Ų1551.1 Ų51.116%0.15527%0.269CS..EExtended strand (participates in β ladder)trans106.8-167.4175.300000114.4Q301G269-Q301 PolarHBondContact N-O 2.88Å; G269-Q301 PolarHBondContact O-N 3.19Å
270P98.2Very high96.4Very high108 Ų10851.1 Ų51.170%0.70127%0.269SS*.EExtended strand (participates in β ladder)trans-75.2143-176.130.8-34.5000112L299P270-L299 WeakPolarHBondContact CA-O 3.36Å
271I98.4Very high96.2Very high34 Ų3450.8 Ų50.817%0.17427%0.268CS..EExtended strand (participates in β ladder)trans-138.9145.5170.2-171.2170.4000109.4M261 E265 I273 L299 Q301M261-I271 HydrophobicContact SD-CD1 4.22Å; E265-I271 HydrophobicContact CB-CD1 4.27Å; I271-I273 HydrophobicContact CD1-CG1 4.41Å; I271-I273 HydrophobicContact CG1-CG1 4.24Å; I271-L299 HydrophobicContact CG2-CB 3.72Å; I271-L299 HydrophobicContact CG2-CD1 4.32Å; I271-L299 HydrophobicContact CG2-CG 4.49Å; I271-L299 PolarHBondContact N-O 2.64Å; I271-L299 PolarHBondContact O-N 2.86Å; I271-L299 VanDerWaalsContact O-O 3.13Å; I271-Q301 HydrophobicContact CG2-CG 4.15Å
272V97.9Very high96.1Very high77 Ų7752 Ų5247%0.46727%0.273SS..EExtended strand (participates in β ladder)trans-117.3137170.3-65.20000108.9Y296 L297V272-Y296 HydrophobicContact CB-CD2 4.44Å; V272-Y296 HydrophobicContact CB-CG 4.22Å; V272-Y296 HydrophobicContact CG2-CD2 4.49Å; V272-L297 VanDerWaalsContact CA-O 3.3Å; V272-L297 WeakPolarHBondContact CA-O 3.17Å
273I98Very high96Very high5 Ų554.9 Ų54.93%0.02629%0.285CS..EExtended strand (participates in β ladder)trans-125.9135.3-175.9-51.1-178.5000109.3F241 A259 F260 M261 I271 Y296 L297 L299F241-I273 HydrophobicContact CE2-CD1 4.43Å; A259-I273 HydrophobicContact CB-CB 4.31Å; A259-I273 HydrophobicContact CB-CG2 3.84Å; F260-I273 WeakPolarHBondContact O-CG2 3.43Å; M261-I273 HydrophobicContact CB-CD1 3.8Å; M261-I273 HydrophobicContact CG-CD1 4.24Å; M261-I273 HydrophobicContact SD-CD1 4.47Å; I271-I273 HydrophobicContact CD1-CG1 4.41Å; I271-I273 HydrophobicContact CG1-CG1 4.24Å; I273-Y296 WeakPolarHBondContact O-CB 3.33Å; I273-L297 PolarHBondContact N-O 3.24Å; I273-L297 PolarHBondContact O-N 2.92Å; I273-L299 HydrophobicContact CD1-CD1 3.63Å; I273-L299 HydrophobicContact CG1-CD1 4.38Å
274E97.7Very high95.9Very high75 Ų7554.2 Ų54.235%0.3528%0.28SS..  trans-65.2156.1173.666.9-83179.800113.9A259 Y276 L289 Y296A259-E274 WeakPolarHBondContact CB-O 3.02Å; E274-Y276 HydrophobicContact CG-CE1 4.27Å; E274-Y276 HydrophobicContact CG-CE2 3.77Å; E274-Y276 WeakPolarHBondContact CG-OH 3.47Å; E274-Y276 PolarHBondContact OE1-OH 2.92Å; E274-L289 HydrophobicContact CB-CD1 3.73Å; E274-L289 HydrophobicContact CG-CD1 3.82Å; E274-Y296 HydrophobicContact CB-CD1 4.38Å; E274-Y296 HydrophobicContact CB-CE1 4.46Å
275L98.4Very high95.8Very high5 Ų556.5 Ų56.53%0.02628%0.284CS..  trans-104.3134.6-179.4-59.5173.7000109.6I176 G177 L178 C257 A259 L290 L297I176-L275 HydrophobicContact CD1-CD1 3.94Å; I176-L275 HydrophobicContact CD1-CD2 3.71Å; I176-L275 HydrophobicContact CG1-CD1 3.83Å; I176-L275 HydrophobicContact CG1-CD2 4.1Å; G177-L275 WeakPolarHBondContact O-CD1 3.43Å; L178-L275 HydrophobicContact CD2-CD1 3.64Å; C257-L275 HydrophobicContact CB-CB 4.44Å; A259-L275 HydrophobicContact CB-CD2 4.15Å; L275-L290 HydrophobicContact CB-CB 3.93Å; L275-L290 HydrophobicContact CB-CD2 3.84Å; L275-L290 HydrophobicContact CD1-CD2 3.97Å; L275-L290 VanDerWaalsContact O-CB 3.23Å; L275-L290 WeakPolarHBondContact O-CB 3.45Å; L275-L290 PolarHBondContact O-N 3.38Å; L275-L297 HydrophobicContact CD2-CB 4.12Å
276Y98.2Very high95.6Very high27 Ų2761.6 Ų61.611%0.10631%0.305CS..EExtended strand (participates in β ladder)trans-106.6145.6176.2-63.2-75.1000110.4C257 F258 F260 E274 L287 Q288 L289C257-Y276 CarbonylContact C-O 3.56Å; C257-Y276 WeakPolarHBondContact CA-O 3.4Å; C257-Y276 WeakPolarHBondContact CB-O 3.44Å; F258-Y276 HydrophobicContact CD2-CD2 4.47Å; F258-Y276 HydrophobicContact CE1-CG 4.48Å; F258-Y276 HydrophobicContact CE2-CD2 4.1Å; F258-Y276 HydrophobicContact CE2-CG 4.28Å; F258-Y276 VanDerWaalsContact CZ-CB 3.45Å; F258-Y276 HydrophobicContact CZ-CD2 4.38Å; F258-Y276 HydrophobicContact CZ-CG 4.1Å; F258-Y276 PolarHBondContact N-O 2.89Å; F258-Y276 PolarHBondContact O-N 3.26Å; F260-Y276 HydrophobicContact CD1-CD2 4.17Å; F260-Y276 HydrophobicContact CD1-CE2 4.01Å; F260-Y276 AromaticContact CE1-CD2 3.96Å; F260-Y276 HydrophobicContact CE1-CD2 3.96Å; F260-Y276 AromaticContact CE1-CE2 3.5Å; F260-Y276 HydrophobicContact CE1-CE2 3.5Å; F260-Y276 VanDerWaalsContact CE1-CE2 3.5Å; F260-Y276 HydrophobicContact CZ-CE2 4.4Å; E274-Y276 HydrophobicContact CG-CE1 4.27Å; E274-Y276 HydrophobicContact CG-CE2 3.77Å; E274-Y276 WeakPolarHBondContact CG-OH 3.47Å; E274-Y276 PolarHBondContact OE1-OH 2.92Å; Y276-L287 HydrophobicContact CD1-CB 3.69Å; Y276-L287 HydrophobicContact CD1-CD2 4.25Å; Y276-L287 HydrophobicContact CD1-CG 4.41Å; Y276-L287 HydrophobicContact CD2-CD2 4.39Å; Y276-L287 HydrophobicContact CE1-CB 3.59Å; Y276-L287 HydrophobicContact CE1-CD1 4.05Å; Y276-L287 HydrophobicContact CE1-CD2 4.45Å; Y276-L287 HydrophobicContact CE1-CG 4.24Å; Y276-L287 HydrophobicContact CE2-CD1 4.43Å; Y276-L287 HydrophobicContact CG-CB 4.47Å; Y276-L287 HydrophobicContact CG-CD2 4.21Å; Y276-Q288 CarbonylContact C-O 3.54Å; Y276-Q288 VanDerWaalsContact CA-O 3.24Å; Y276-Q288 WeakPolarHBondContact CA-O 3.5Å; Y276-L289 HydrophobicContact CE1-CD1 4.44Å
277K95.4Very high95.5Very high81 Ų8163.6 Ų63.635%0.35232%0.316SS..EExtended strand (participates in β ladder)trans-62.1145.6177.2-67.2-171.8176-170.80110.1F258 Q288 L290F258-K277 VanDerWaalsContact CE1-O 3.23Å; F258-K277 WeakPolarHBondContact CE1-O 3.42Å; K277-Q288 HydrophobicContact CB-CB 4.3Å; K277-Q288 HydrophobicContact CD-CB 4.32Å; K277-Q288 HydrophobicContact CG-CB 4.4Å; K277-Q288 PolarHBondContact N-O 3.39Å; K277-L290 HydrophobicContact CG-CB 4.47Å; K277-L290 HydrophobicContact CG-CD1 4.12Å
278K92.5Very high95.5Very high61 Ų6163.1 Ų63.127%0.26532%0.316SS..SBendtrans-55.4155.7164.371.3175.5-172.91620110.5T255T255-K278 WeakPolarHBondContact O-CB 3.28Å; T255-K278 WeakPolarHBondContact O-CD 3.14Å
279P92.4Very high95.4Very high26 Ų2662 Ų6217%0.16930%0.303CS..SBendcis-80.8161.2-9.128.3-28.4000113.1F22 W25 Q27 F258 D281F22-P279 HydrophobicContact CD1-CB 3.65Å; F22-P279 HydrophobicContact CD1-CG 3.72Å; F22-P279 HydrophobicContact CE1-CB 3.65Å; F22-P279 HydrophobicContact CE1-CG 3.57Å; W25-P279 HydrophobicContact CD2-CB 4.38Å; W25-P279 HydrophobicContact CD2-CG 3.88Å; W25-P279 HydrophobicContact CE3-CB 3.64Å; W25-P279 HydrophobicContact CE3-CG 2.94Å; W25-P279 HydrophobicContact CH2-CG 3.61Å; W25-P279 HydrophobicContact CZ2-CG 4.43Å; W25-P279 HydrophobicContact CZ3-CB 4.01Å; W25-P279 HydrophobicContact CZ3-CG 2.82Å; Q27-P279 HydrophobicContact CG-CB 3.94Å; F258-P279 WeakPolarHBondContact CE1-O 3.42Å; P279-D281 PolarHBondContact O-N 2.99Å
280T93.9Very high95.3Very high0 Ų063.1 Ų63.10%031%0.306CS..  trans-64.8113.1-179.7-490000111Q27 F240 E242 F258 F282Q27-T280 PolarHBondContact NE2-OG1 2.95Å; F240-T280 HydrophobicContact CD1-CG2 3.86Å; F240-T280 HydrophobicContact CE1-CG2 4.24Å; E242-T280 HydrophobicContact CG-CG2 4.08Å; E242-T280 VanDerWaalsContact OE1-CB 3.28Å; E242-T280 WeakPolarHBondContact OE1-CB 3.38Å; E242-T280 PolarHBondContact OE1-OG1 3.46Å; F258-T280 HydrophobicContact CB-CG2 3.92Å; F258-T280 HydrophobicContact CD1-CG2 4.18Å; F258-T280 HydrophobicContact CD2-CG2 3.79Å; F258-T280 HydrophobicContact CE2-CG2 4.29Å; F258-T280 HydrophobicContact CG-CG2 3.71Å; T280-F282 HydrophobicContact CG2-CD1 3.65Å; T280-F282 HydrophobicContact CG2-CE1 3.32Å; T280-F282 HydrophobicContact CG2-CE2 4.29Å; T280-F282 HydrophobicContact CG2-CG 4.25Å; T280-F282 HydrophobicContact CG2-CZ 3.68Å; T280-F282 PolarHBondContact O-N 3.3Å
281D93.1Very high95.1Very high13 Ų1359.1 Ų59.17%0.0728%0.279CS..  trans-88.191.1170.7-178.20.1000109.7F258 P279 K283 R284 K285 K286F258-D281 HydrophobicContact CZ-CB 4.42Å; P279-D281 PolarHBondContact O-N 2.99Å; D281-K283 PolarHBondContact O-N 3.1Å; D281-K283 VanDerWaalsContact O-N 3.08Å; D281-K283 WeakPolarHBondContact OD1-CA 3.41Å; D281-K283 WeakPolarHBondContact OD1-CB 3.37Å; D281-K283 PolarHBondContact OD1-N 3.44Å; D281-R284 PolarHBondContact O-N 3.32Å; D281-R284 PolarHBondContact OD1-N 3.22Å; D281-K285 WeakPolarHBondContact OD2-CA 3.25Å; D281-K285 PolarHBondContact OD2-N 3.26Å; D281-K286 PolarHBondContact OD2-N 3.03Å
282F94.7Very high94.9Very high25 Ų2567 Ų6711%0.1131%0.313CS..THydrogen-bonded Turntrans-62.7-14178.7-62.2-64.1000114K194 F240 T280K194-F282 HydrophobicContact CD-CB 4.24Å; K194-F282 HydrophobicContact CD-CD1 3.75Å; K194-F282 HydrophobicContact CD-CE1 4.23Å; K194-F282 HydrophobicContact CD-CG 3.95Å; K194-F282 HydrophobicContact CG-CD1 3.89Å; K194-F282 HydrophobicContact CG-CE1 4.45Å; K194-F282 HydrophobicContact CG-CG 4.46Å; F240-F282 HydrophobicContact CB-CE1 4.42Å; F240-F282 AromaticContact CD1-CD1 3.77Å; F240-F282 HydrophobicContact CD1-CD1 3.77Å; F240-F282 HydrophobicContact CD1-CE1 4.14Å; F240-F282 HydrophobicContact CD2-CD1 4.19Å; F240-F282 AromaticContact CE1-CD1 3.91Å; F240-F282 HydrophobicContact CE1-CD1 3.91Å; F240-F282 HydrophobicContact CE2-CD1 4.33Å; F240-F282 AromaticContact CG-CD1 3.92Å; F240-F282 HydrophobicContact CG-CD1 3.92Å; F240-F282 HydrophobicContact CG-CE1 4.2Å; F240-F282 HydrophobicContact CZ-CB 4.38Å; F240-F282 HydrophobicContact CZ-CD1 4.19Å; F240-F282 WeakPolarHBondContact CZ-O 3.43Å; T280-F282 HydrophobicContact CG2-CD1 3.65Å; T280-F282 HydrophobicContact CG2-CE1 3.32Å; T280-F282 HydrophobicContact CG2-CE2 4.29Å; T280-F282 HydrophobicContact CG2-CG 4.25Å; T280-F282 HydrophobicContact CG2-CZ 3.68Å; T280-F282 PolarHBondContact O-N 3.3Å
283K93.5Very high94.7Very high111 Ų11169.2 Ų69.248%0.48332%0.316SS..THydrogen-bonded Turntrans-94.3-6.4174-63.4179.6-179.5174.60112.8N197 D281 K285N197-K283 WeakPolarHBondContact O-CE 3.34Å; D281-K283 PolarHBondContact O-N 3.1Å; D281-K283 VanDerWaalsContact O-N 3.08Å; D281-K283 WeakPolarHBondContact OD1-CA 3.41Å; D281-K283 WeakPolarHBondContact OD1-CB 3.37Å; D281-K283 PolarHBondContact OD1-N 3.44Å; K283-K285 VanDerWaalsContact C-N 3.26Å; K283-K285 HydrophobicContact CB-CG 3.96Å; K283-K285 PolarHBondContact O-N 3.18Å
284R93.5Very high94.7Very high32 Ų3273.4 Ų73.412%0.12134%0.343CS..  trans55.536.7177-54.2151.5-72.7-172.3-8.5113G236 A238 F240 F260 E262 D281 L287G236-R284 PolarHBondContact O-NH1 2.78Å; G236-R284 PolarHBondContact O-NH2 2.68Å; A238-R284 VanDerWaalsContact CB-NH1 3.26Å; F240-R284 HydrophobicContact CE1-CG 4.3Å; F240-R284 HydrophobicContact CZ-CG 3.85Å; F260-R284 HydrophobicContact CD1-CG 4.13Å; F260-R284 HydrophobicContact CD2-CG 4Å; F260-R284 HydrophobicContact CE1-CB 4.47Å; F260-R284 HydrophobicContact CE1-CG 3.94Å; F260-R284 HydrophobicContact CE2-CB 4.48Å; F260-R284 VanDerWaalsContact CE2-CD 3.41Å; F260-R284 HydrophobicContact CE2-CG 3.81Å; F260-R284 HydrophobicContact CG-CG 4.16Å; F260-R284 HydrophobicContact CZ-CB 4.15Å; F260-R284 HydrophobicContact CZ-CG 3.78Å; E262-R284 WeakPolarHBondContact OE1-CD 3.43Å; E262-R284 IonicContact OE1-CZ 3.39Å; E262-R284 IonicContact OE1-NE 2.8Å; E262-R284 IonicContact OE1-NH1 2.6Å; E262-R284 PolarHBondContact OE1-NH1 3.4Å; E262-R284 IonicContact OE2-CZ 3.14Å; E262-R284 IonicContact OE2-NH1 3.13Å; E262-R284 PolarHBondContact OE2-NH1 3.09Å; D281-R284 PolarHBondContact O-N 3.32Å; D281-R284 PolarHBondContact OD1-N 3.22Å; R284-L287 HydrophobicContact CB-CD1 4.46Å; R284-L287 HydrophobicContact CB-CD2 4.4Å
285K92.2Very high94.6Very high171 Ų17170.6 Ų70.674%0.74333%0.331SS*.SBendtrans-93.6-33.7-176.3-65.6-63.4177.1-175.80113.2D281 K283D281-K285 WeakPolarHBondContact OD2-CA 3.25Å; D281-K285 PolarHBondContact OD2-N 3.26Å; K283-K285 VanDerWaalsContact C-N 3.26Å; K283-K285 HydrophobicContact CB-CG 3.96Å; K283-K285 PolarHBondContact O-N 3.18Å
286K91.8Very high94.6Very high171 Ų17174.2 Ų74.274%0.74334%0.344SS*.SBendtrans-13075.6-176.4-66.7-175.6-177.6177.50110D281D281-K286 PolarHBondContact OD2-N 3.03Å
287L94.3Very high94.7Very high62 Ų6273 Ų7333%0.32534%0.34SS..  trans-85.9126.7-178.6-61.5177.9000111F258 F260 Y276 R284F258-L287 HydrophobicContact CE2-CD2 4.02Å; F258-L287 HydrophobicContact CZ-CD2 3.76Å; F260-L287 HydrophobicContact CE1-CD1 3.7Å; F260-L287 HydrophobicContact CE1-CD2 3.88Å; F260-L287 HydrophobicContact CE1-CG 4.46Å; F260-L287 HydrophobicContact CZ-CD1 3.75Å; Y276-L287 HydrophobicContact CD1-CB 3.69Å; Y276-L287 HydrophobicContact CD1-CD2 4.25Å; Y276-L287 HydrophobicContact CD1-CG 4.41Å; Y276-L287 HydrophobicContact CD2-CD2 4.39Å; Y276-L287 HydrophobicContact CE1-CB 3.59Å; Y276-L287 HydrophobicContact CE1-CD1 4.05Å; Y276-L287 HydrophobicContact CE1-CD2 4.45Å; Y276-L287 HydrophobicContact CE1-CG 4.24Å; Y276-L287 HydrophobicContact CE2-CD1 4.43Å; Y276-L287 HydrophobicContact CG-CB 4.47Å; Y276-L287 HydrophobicContact CG-CD2 4.21Å; R284-L287 HydrophobicContact CB-CD1 4.46Å; R284-L287 HydrophobicContact CB-CD2 4.4Å
288Q95.3Very high94.8Very high124 Ų12470.7 Ų70.758%0.57933%0.33SS*.  trans-119117.4173.2-64.4-171.914.200109.5Y276 K277 L290Y276-Q288 CarbonylContact C-O 3.54Å; Y276-Q288 VanDerWaalsContact CA-O 3.24Å; Y276-Q288 WeakPolarHBondContact CA-O 3.5Å; K277-Q288 HydrophobicContact CB-CB 4.3Å; K277-Q288 HydrophobicContact CD-CB 4.32Å; K277-Q288 HydrophobicContact CG-CB 4.4Å; K277-Q288 PolarHBondContact N-O 3.39Å; Q288-L290 PolarHBondContact O-N 2.88Å
289L96.1Very high95.1Very high78 Ų7867.9 Ų67.941%0.40832%0.318SS..BIsolated β-bridgetrans-61.8132.7-179.4-164.871.6000110.9E274 Y276 T291 K292E274-L289 HydrophobicContact CB-CD1 3.73Å; E274-L289 HydrophobicContact CG-CD1 3.82Å; Y276-L289 HydrophobicContact CE1-CD1 4.44Å; L289-T291 WeakPolarHBondContact CD2-O 3.29Å; L289-T291 VanDerWaalsContact CG-O 3.29Å; L289-T291 WeakPolarHBondContact CG-O 3.47Å; L289-K292 HydrophobicContact CD2-CG 4.14Å
290L96Very high95.4Very high40 Ų4069.8 Ų69.821%0.20933%0.325CS..SBendtrans-65.9-43.4176.3-178.370.5000111L178 C257 L275 K277 Q288L178-L290 HydrophobicContact CD2-CD2 3.68Å; C257-L290 HydrophobicContact CB-CD1 4.25Å; C257-L290 HydrophobicContact CB-CD2 3.69Å; C257-L290 HydrophobicContact CB-CG 4.41Å; L275-L290 HydrophobicContact CB-CB 3.93Å; L275-L290 HydrophobicContact CB-CD2 3.84Å; L275-L290 HydrophobicContact CD1-CD2 3.97Å; L275-L290 VanDerWaalsContact O-CB 3.23Å; L275-L290 WeakPolarHBondContact O-CB 3.45Å; L275-L290 PolarHBondContact O-N 3.38Å; K277-L290 HydrophobicContact CG-CB 4.47Å; K277-L290 HydrophobicContact CG-CD1 4.12Å; Q288-L290 PolarHBondContact O-N 2.88Å
291T93.7Very high95.6Very high23 Ų2370 Ų7014%0.14133%0.326CS..  trans-155.4149.8179.1-168.70000112.5K179 L289 K293 L295K179-T291 WeakPolarHBondContact CE-OG1 3.42Å; L289-T291 WeakPolarHBondContact CD2-O 3.29Å; L289-T291 VanDerWaalsContact CG-O 3.29Å; L289-T291 WeakPolarHBondContact CG-O 3.47Å; T291-K293 VanDerWaalsContact C-N 3.35Å; T291-K293 HydrophobicContact CG2-CB 4.25Å; T291-K293 PolarHBondContact OG1-N 3.26Å; T291-L295 HydrophobicContact CG2-CB 4.08Å; T291-L295 HydrophobicContact CG2-CD1 4.45Å
292K94.1Very high95.9Very high200 Ų20072.1 Ų72.187%0.8734%0.339SS*.SBendtrans-85.6-5.8169.5-61.9-178.1179.8179.50113.3L289L289-K292 HydrophobicContact CD2-CG 4.14Å
293K95.1Very high96Very high124 Ų12473.3 Ų73.354%0.53935%0.346SS..SBendtrans-70.9154.2175.6-69.6-173.3177.4-175.40109.5K179 T291 L295K179-K293 HydrophobicContact CG-CD 4.45Å; T291-K293 VanDerWaalsContact C-N 3.35Å; T291-K293 HydrophobicContact CG2-CB 4.25Å; T291-K293 PolarHBondContact OG1-N 3.26Å; K293-L295 HydrophobicContact CB-CD1 4.04Å; K293-L295 HydrophobicContact CB-CG 4.12Å; K293-L295 HydrophobicContact CD-CD1 4.39Å; K293-L295 PolarHBondContact O-N 2.56Å
294P96.2Very high96.2Very high92 Ų9270.5 Ų70.560%0.59734%0.335SS*.SBendtrans-74.763.3178.632.9-37000111.6Y296P294-Y296 VanDerWaalsContact CA-CE2 3.45Å; P294-Y296 HydrophobicContact CB-CE2 3.8Å
295L97.4Very high96Very high16 Ų1676.3 Ų76.38%0.08436%0.361CS..  trans-122.1102.9-177.7-69.6175.6000107.5K179 T291 K293K179-L295 HydrophobicContact CG-CD1 4.08Å; T291-L295 HydrophobicContact CG2-CB 4.08Å; T291-L295 HydrophobicContact CG2-CD1 4.45Å; K293-L295 HydrophobicContact CB-CD1 4.04Å; K293-L295 HydrophobicContact CB-CG 4.12Å; K293-L295 HydrophobicContact CD-CD1 4.39Å; K293-L295 PolarHBondContact O-N 2.56Å
296Y98.3Very high95.3Very high81 Ų8176.4 Ų76.432%0.31836%0.364SS..  trans-124.6161.7-167.8-56-71.1000111.7G177 V272 I273 E274 P294 H298G177-Y296 PolarHBondContact N-O 3.47Å; V272-Y296 HydrophobicContact CB-CD2 4.44Å; V272-Y296 HydrophobicContact CB-CG 4.22Å; V272-Y296 HydrophobicContact CG2-CD2 4.49Å; I273-Y296 WeakPolarHBondContact O-CB 3.33Å; E274-Y296 HydrophobicContact CB-CD1 4.38Å; E274-Y296 HydrophobicContact CB-CE1 4.46Å; P294-Y296 VanDerWaalsContact CA-CE2 3.45Å; P294-Y296 HydrophobicContact CB-CE2 3.8Å; Y296-H298 PolarHBondContact O-ND1 3.37Å
297L98.6Very high95.5Very high2 Ų271.7 Ų71.71%0.0135%0.345CS..EExtended strand (participates in β ladder)trans-76.7122.5160.1-177.762.4000108.9I173 I176 I189 F241 A259 V272 I273 L275 L299I173-L297 HydrophobicContact CG2-CD1 4.1Å; I176-L297 HydrophobicContact CB-CD1 3.94Å; I176-L297 HydrophobicContact CD1-CD1 4.45Å; I176-L297 HydrophobicContact CG1-CD1 4.25Å; I189-L297 HydrophobicContact CD1-CD1 3.96Å; F241-L297 HydrophobicContact CB-CD2 3.51Å; F241-L297 HydrophobicContact CD1-CD2 4.01Å; F241-L297 HydrophobicContact CD2-CD2 3.85Å; F241-L297 HydrophobicContact CG-CD2 3.52Å; A259-L297 HydrophobicContact CB-CB 4.4Å; A259-L297 HydrophobicContact CB-CD2 3.86Å; V272-L297 VanDerWaalsContact CA-O 3.3Å; V272-L297 WeakPolarHBondContact CA-O 3.17Å; I273-L297 PolarHBondContact N-O 3.24Å; I273-L297 PolarHBondContact O-N 2.92Å; L275-L297 HydrophobicContact CD2-CB 4.12Å; L297-L299 HydrophobicContact CD1-CD2 4.14Å; L297-L299 HydrophobicContact CD2-CD1 4.22Å; L297-L299 HydrophobicContact CD2-CD2 3.94Å; L297-L299 HydrophobicContact CD2-CG 4.25Å; L297-L299 HydrophobicContact CG-CD1 4.47Å; L297-L299 HydrophobicContact CG-CD2 3.74Å; L297-L299 HydrophobicContact CG-CG 4.01Å
298H98.5Very high95.5Very high33 Ų3372.2 Ų72.215%0.15335%0.346CS..EExtended strand (participates in β ladder)trans-101.5121.5179.4-65.164.2000109.6E174 K175 Y217 Y296E174-H298 HydrophobicContact CB-CB 4.21Å; E174-H298 PolarHBondContact N-O 2.97Å; K175-H298 HydrophobicContact CG-CB 3.91Å; K175-H298 PolarHBondContact O-N 2.97Å; Y217-H298 AromaticContact CE1-CE1 3.9Å; Y296-H298 PolarHBondContact O-ND1 3.37Å
299L98.6Very high95.6Very high1 Ų169.3 Ų69.31%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-126.7153.4-177-53.3177000110.5I171 R172 I173 F241 P270 I271 I273 L297I171-L299 HydrophobicContact CG2-CB 4.02Å; I171-L299 HydrophobicContact CG2-CD1 4.06Å; I171-L299 HydrophobicContact CG2-CD2 3.98Å; I171-L299 HydrophobicContact CG2-CG 4.26Å; R172-L299 CarbonylContact O-C 3.47Å; R172-L299 VanDerWaalsContact O-CA 3.27Å; R172-L299 WeakPolarHBondContact O-CA 3.49Å; I173-L299 HydrophobicContact CB-CD2 4.25Å; I173-L299 HydrophobicContact CG1-CD2 3.87Å; I173-L299 HydrophobicContact CG2-CD2 4.32Å; F241-L299 HydrophobicContact CD2-CD1 4.45Å; F241-L299 HydrophobicContact CE1-CD1 4.07Å; F241-L299 HydrophobicContact CE1-CD2 4.25Å; F241-L299 HydrophobicContact CE2-CD1 3.78Å; F241-L299 HydrophobicContact CZ-CD1 3.56Å; P270-L299 WeakPolarHBondContact CA-O 3.36Å; I271-L299 HydrophobicContact CG2-CB 3.72Å; I271-L299 HydrophobicContact CG2-CD1 4.32Å; I271-L299 HydrophobicContact CG2-CG 4.49Å; I271-L299 PolarHBondContact N-O 2.64Å; I271-L299 PolarHBondContact O-N 2.86Å; I271-L299 VanDerWaalsContact O-O 3.13Å; I273-L299 HydrophobicContact CD1-CD1 3.63Å; I273-L299 HydrophobicContact CG1-CD1 4.38Å; L297-L299 HydrophobicContact CD1-CD2 4.14Å; L297-L299 HydrophobicContact CD2-CD1 4.22Å; L297-L299 HydrophobicContact CD2-CD2 3.94Å; L297-L299 HydrophobicContact CD2-CG 4.25Å; L297-L299 HydrophobicContact CG-CD1 4.47Å; L297-L299 HydrophobicContact CG-CD2 3.74Å; L297-L299 HydrophobicContact CG-CG 4.01Å
300H98.5Very high95.5Very high67 Ų6768.8 Ų68.831%0.3133%0.329SS..EExtended strand (participates in β ladder)trans-125.1124167.1-165.9104.6000109.7R172R172-H300 HydrophobicContact CB-CB 4.13Å; R172-H300 PolarHBondContact N-O 3.03Å; R172-H300 PolarHBondContact O-N 3.06Å
301Q98.5Very high95.5Very high4 Ų470.6 Ų70.62%0.01934%0.336CS..EExtended strand (participates in β ladder)trans-100131.4-176.2-59.3-17360.700110.6L169 M261 E265 I266 K267 G269 I271L169-Q301 HydrophobicContact CD1-CB 4.2Å; M261-Q301 PolarHBondContact SD-NE2 3.5Å; M261-Q301 VanDerWaalsContact SD-NE2 3.44Å; E265-Q301 PolarHBondContact O-NE2 2.94Å; E265-Q301 VanDerWaalsContact O-NE2 3.09Å; I266-Q301 VanDerWaalsContact CA-OE1 3.26Å; K267-Q301 WeakPolarHBondContact O-CB 3.45Å; K267-Q301 VanDerWaalsContact O-CD 3.28Å; K267-Q301 PolarHBondContact O-NE2 2.96Å; G269-Q301 PolarHBondContact N-O 2.88Å; G269-Q301 PolarHBondContact O-N 3.19Å; I271-Q301 HydrophobicContact CG2-CG 4.15Å
302T98.5Very high95.6Very high58 Ų5873.8 Ų73.836%0.35635%0.349SS..EExtended strand (participates in β ladder)trans-123.4119.9173.5-54.50000109.4T170T170-T302 PolarHBondContact N-O 3.32Å; T170-T302 PolarHBondContact O-N 2.56Å
303L97.6Very high95.7Very high49 Ų4964.8 Ų64.826%0.25731%0.312SS..EExtended strand (participates in β ladder)trans-97.9122177.2-74.774000108.7T167 L168 L169 I266 P268T167-L303 HydrophobicContact CG2-CB 3.83Å; T167-L303 HydrophobicContact CG2-CD2 4.06Å; T167-L303 HydrophobicContact CG2-CG 4.04Å; L168-L303 WeakPolarHBondContact O-CA 3.17Å; L169-L303 HydrophobicContact CD1-CD1 3.98Å; L169-L303 HydrophobicContact CD1-CG 4.3Å; I266-L303 HydrophobicContact CG2-CD1 4.38Å; I266-L303 HydrophobicContact CG2-CD2 4.4Å; I266-L303 HydrophobicContact CG2-CG 4.49Å; P268-L303 HydrophobicContact CB-CD1 4.15Å
304H96.8Very high95.8Very high53 Ų5360.2 Ų60.225%0.24530%0.295CS..EExtended strand (participates in β ladder)trans-102.9119.7176.4-49.1-87.7000108.6R159 T167 L168 T170R159-H304 PolarHBondContact NH1-CE1 3.36Å; T167-H304 WeakPolarHBondContact CA-O 3.47Å; L168-H304 HydrophobicContact CB-CB 4.24Å; L168-H304 PolarHBondContact N-O 3.32Å; L168-H304 PolarHBondContact O-N 3.26Å; T170-H304 PolarHBondContact OG1-CD2 3.08Å; T170-H304 PolarHBondContact OG1-NE2 3.37Å
305K90.9Very high95.8Very high153 Ų15357.6 Ų57.667%0.66527%0.27SS*.EExtended strand (participates in β ladder)trans-122.2134.1178.8-64.3-173.5178.3-170.10109.2T167T167-K305 HydrophobicContact CG2-CG 3.86Å; T167-K305 VanDerWaalsContact OG1-CE 3.3Å; T167-K305 WeakPolarHBondContact OG1-CE 3.5Å
306E76.9Confident95.6Very high174 Ų17461.4 Ų61.481%0.81329%0.286SS*.  trans-114.60169.3-77.6-176.8-160.800111.5S162 G165S162-E306 WeakPolarHBondContact CB-OE1 3.39Å; S162-E306 WeakPolarHBondContact CB-OE2 3.02Å; S162-E306 PolarHBondContact OG-OE1 3.35Å; G165-E306 PolarHBondContact N-O 3.02Å

Retrieved 306 of 306 residues in 92.6 ms (Link to these results)

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