A0A096M5D7_POEFO Loading...

Cyclic AMP-dependent transcription factor ATF-2

Transcriptional activator which regulates the transcription of various genes, including those involved in anti-apoptosis, cell growth, and DNA damage response. Dependent on its binding partner, binds to CRE (cAMP response element) consensus sequences (5'-TGACGTCA-3') or to AP-1 (activator protein 1) consensus sequences (5'-TGACTCA-3').

AlphaFold DB , UniProt , Accession A0A096M5D7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 374 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
1M40.8Very low73.3Confident238 Ų23893.9 Ų93.9100%1.17251%0.514SS*.  0160.60-66.8167.9-17900107.3D3M1-D3 PolarHBondContact O-N 2.68Å
2S49.6Very low74.4Confident101 Ų10194.4 Ų94.471%0.70653%0.525SS*.  trans-68.4130.2-174.5-49.50000112.2D4S2-D4 WeakPolarHBondContact CB-OD2 3.41Å; S2-D4 PolarHBondContact O-N 3.28Å
3D60Low74.9Confident123 Ų12392.9 Ų92.966%0.65854%0.544SS*.  trans-76.855.1168.2-88.4-75.6000111.3M1 K5M1-D3 PolarHBondContact O-N 2.68Å; D3-K5 PolarHBondContact O-N 2.83Å; D3-K5 IonicContact OD1-NZ 3.42Å; D3-K5 PolarHBondContact OD1-NZ 3.29Å
4D66.3Low75.9Confident118 Ų11888.9 Ų88.963%0.63152%0.523SS*.  trans-73.173177.5-82.7-55.5000110.8S2 P6S2-D4 WeakPolarHBondContact CB-OD2 3.41Å; S2-D4 PolarHBondContact O-N 3.28Å; D4-P6 VanDerWaalsContact O-CD 3.25Å; D4-P6 WeakPolarHBondContact O-CD 3.44Å
5K73.3Confident76.4Confident81 Ų8185.7 Ų85.735%0.35252%0.516SS..  trans-109.170.6162.6-66.5164.2-172.3143.40107.4D3 F7 R17 F18 T19D3-K5 PolarHBondContact O-N 2.83Å; D3-K5 IonicContact OD1-NZ 3.42Å; D3-K5 PolarHBondContact OD1-NZ 3.29Å; K5-F7 PolarHBondContact O-N 2.98Å; K5-R17 HydrophobicContact CB-CB 3.9Å; K5-F18 CarbonylContact C-O 3.3Å; K5-F18 VanDerWaalsContact C-O 3.3Å; K5-F18 WeakPolarHBondContact CA-O 3.46Å; K5-F18 WeakPolarHBondContact CB-O 3.3Å; K5-T19 HydrophobicContact CG-CG2 3.76Å
6P80.4Confident77Confident85 Ų8586.5 Ų86.555%0.55251%0.512SS*.  trans-68.1-23.8-171.128.7-36.1000112.4D4 Q8D4-P6 VanDerWaalsContact O-CD 3.25Å; D4-P6 WeakPolarHBondContact O-CD 3.44Å; P6-Q8 PolarHBondContact O-N 3.15Å
7F82.8Confident77.7Confident59 Ų5989.6 Ų89.626%0.25951%0.513SS..EExtended strand (participates in β ladder)trans-79.679.6-177.1-56.9-72.1000111.1K5 F18 N20 E21 L24K5-F7 PolarHBondContact O-N 2.98Å; F7-F18 HydrophobicContact CB-CB 4.22Å; F7-F18 PolarHBondContact N-O 3.32Å; F7-F18 WeakPolarHBondContact O-CD2 3.46Å; F7-F18 PolarHBondContact O-N 2.86Å; F7-N20 VanDerWaalsContact CD2-C 3.45Å; F7-E21 HydrophobicContact CD1-CB 3.71Å; F7-E21 HydrophobicContact CD1-CG 4.05Å; F7-E21 HydrophobicContact CE1-CB 3.61Å; F7-E21 HydrophobicContact CE1-CG 4.14Å; F7-E21 HydrophobicContact CE2-CB 4.47Å; F7-E21 HydrophobicContact CG-CB 4.21Å; F7-E21 HydrophobicContact CZ-CB 4.01Å; F7-L24 HydrophobicContact CB-CB 3.98Å; F7-L24 HydrophobicContact CB-CD2 3.73Å; F7-L24 HydrophobicContact CB-CG 4.44Å; F7-L24 HydrophobicContact CD1-CD2 4.45Å
8Q89.3Confident78.2Confident80 Ų8086.7 Ų86.737%0.37449%0.494SS..EExtended strand (participates in β ladder)trans-85.9137.6174.8-172.5170.4-33.600112.3P6 T10 Q16 R17P6-Q8 PolarHBondContact O-N 3.15Å; Q8-T10 PolarHBondContact O-N 3.16Å; Q8-Q16 CarbonylContact C-O 3.59Å; Q8-Q16 WeakPolarHBondContact CA-O 3.47Å; Q8-R17 HydrophobicContact CB-CG 3.92Å; Q8-R17 HydrophobicContact CG-CG 3.87Å; Q8-R17 VanDerWaalsContact OE1-CZ 3.28Å
9C90.5Very high78.8Confident3 Ų386.9 Ų86.92%0.0250%0.497CS..  trans-72.7116.5170.9-169.80000111.6A11 Q16 L24 H27C9-A11 VanDerWaalsContact C-N 3.29Å; C9-A11 VanDerWaalsContact SG-CB 3.52Å; C9-A11 PolarHBondContact SG-N 3.07Å; C9-Q16 PolarHBondContact N-O 3.42Å; C9-L24 HydrophobicContact CB-CD1 3.76Å; C9-H27 PolarHBondContact SG-CD2 2.83Å; C9-H27 PolarHBondContact SG-NE2 2.97Å; C9-H27 VanDerWaalsContact SG-NE2 3.43Å
10T88.8Confident79.3Confident127 Ų12785.8 Ų85.878%0.77949%0.489SS*.  trans-80.5-3.1176.352.20000114Q8Q8-T10 PolarHBondContact O-N 3.16Å
11A84.5Confident79.9Confident18 Ų1886.7 Ų86.715%0.14949%0.49CS..SBendtrans-62.8133.8178.300000110.6C9 G13 C14 H31C9-A11 VanDerWaalsContact C-N 3.29Å; C9-A11 VanDerWaalsContact SG-CB 3.52Å; C9-A11 PolarHBondContact SG-N 3.07Å; A11-G13 PolarHBondContact O-N 2.95Å; A11-C14 HydrophobicContact CB-CB 4.3Å; A11-C14 WeakPolarHBondContact O-CB 3.46Å; A11-C14 PolarHBondContact O-N 3.44Å; A11-H31 HydrophobicContact CB-CB 4.18Å
12P86.1Confident82.3Confident100 Ų10080.4 Ų80.465%0.64946%0.461SS*.THydrogen-bonded Turntrans-56.8133.6-174.321.3-32.7000111.1C14 K36P12-C14 VanDerWaalsContact C-N 3.31Å; P12-C14 PolarHBondContact O-N 3.48Å; P12-K36 PolarHBondContact O-NZ 2.62Å
13G81.4Confident84.3Confident75 Ų7580.6 Ų80.677%0.77345%0.45SS*.THydrogen-bonded Turntrans7011.4-178.900000116.4A11A11-G13 PolarHBondContact O-N 2.95Å
14C88.3Confident85.8Confident37 Ų3775.3 Ų75.325%0.2542%0.422CS..THydrogen-bonded Turntrans-103-55.6-177.9-164.10000115.9A11 P12 Q16 H27 H31A11-C14 HydrophobicContact CB-CB 4.3Å; A11-C14 WeakPolarHBondContact O-CB 3.46Å; A11-C14 PolarHBondContact O-N 3.44Å; P12-C14 VanDerWaalsContact C-N 3.31Å; P12-C14 PolarHBondContact O-N 3.48Å; C14-Q16 PolarHBondContact O-N 3.18Å; C14-H27 PolarHBondContact SG-CE1 3.43Å; C14-H27 PolarHBondContact SG-NE2 2.91Å; C14-H31 PolarHBondContact SG-CE1 2.97Å; C14-H31 PolarHBondContact SG-NE2 3.14Å
15G84.3Confident87Confident40 Ų4072.1 Ų72.141%0.41241%0.412SS..  trans64.4-3.3173.300000118.2
16Q85.1Confident87.9Confident99 Ų9973.5 Ų73.546%0.46343%0.427SS..  trans-60.4142-177.9-70.9-159.8-29.900112.3Q8 C9 C14 F18 H27Q8-Q16 CarbonylContact C-O 3.59Å; Q8-Q16 WeakPolarHBondContact CA-O 3.47Å; C9-Q16 PolarHBondContact N-O 3.42Å; C14-Q16 PolarHBondContact O-N 3.18Å; Q16-F18 HydrophobicContact CB-CE2 3.85Å; Q16-F18 HydrophobicContact CB-CZ 3.84Å; Q16-H27 PolarHBondContact OE1-CE1 3.47Å; Q16-H27 PolarHBondContact OE1-ND1 3.47Å; Q16-H27 VanDerWaalsContact OE1-ND1 3.15Å
17R90.2Very high88.4Confident140 Ų14070 Ų7053%0.52840%0.403SS..EExtended strand (participates in β ladder)trans-117.5138.4-177.7-72.4-173.5163.6-141.9-8.6111.5K5 Q8K5-R17 HydrophobicContact CB-CB 3.9Å; Q8-R17 HydrophobicContact CB-CG 3.92Å; Q8-R17 HydrophobicContact CG-CG 3.87Å; Q8-R17 VanDerWaalsContact OE1-CZ 3.28Å
18F86.9Confident88.7Confident36 Ų3672 Ų7216%0.15841%0.412CS..EExtended strand (participates in β ladder)trans-123.5148.4-176.9-58.3-81.3000111.3K5 F7 Q16 N20 H23 L24 H27K5-F18 CarbonylContact C-O 3.3Å; K5-F18 VanDerWaalsContact C-O 3.3Å; K5-F18 WeakPolarHBondContact CA-O 3.46Å; K5-F18 WeakPolarHBondContact CB-O 3.3Å; F7-F18 HydrophobicContact CB-CB 4.22Å; F7-F18 PolarHBondContact N-O 3.32Å; F7-F18 WeakPolarHBondContact O-CD2 3.46Å; F7-F18 PolarHBondContact O-N 2.86Å; Q16-F18 HydrophobicContact CB-CE2 3.85Å; Q16-F18 HydrophobicContact CB-CZ 3.84Å; F18-N20 VanDerWaalsContact C-N 3.32Å; F18-N20 WeakPolarHBondContact CB-O 3.26Å; F18-H23 HydrophobicContact CB-CB 4.06Å; F18-H23 HydrophobicContact CD1-CB 3.55Å; F18-H23 HydrophobicContact CE1-CB 4.33Å; F18-H23 HydrophobicContact CG-CB 3.96Å; F18-L24 HydrophobicContact CB-CB 4.34Å; F18-L24 HydrophobicContact CD2-CB 3.78Å; F18-L24 HydrophobicContact CD2-CD1 3.97Å; F18-L24 HydrophobicContact CD2-CG 4.48Å; F18-L24 HydrophobicContact CE2-CD1 4.19Å; F18-L24 HydrophobicContact CG-CB 4.27Å; F18-H27 HydrophobicContact CE1-CB 4.43Å; F18-H27 HydrophobicContact CE2-CB 3.87Å; F18-H27 AromaticContact CE2-CD2 3.81Å; F18-H27 AromaticContact CE2-CG 3.64Å; F18-H27 AromaticContact CE2-ND1 3.98Å; F18-H27 HydrophobicContact CZ-CB 3.68Å; F18-H27 AromaticContact CZ-CG 3.47Å; F18-H27 VanDerWaalsContact CZ-CG 3.47Å; F18-H27 AromaticContact CZ-ND1 3.44Å; F18-H27 WeakPolarHBondContact CZ-ND1 3.47Å
19T89.4Confident88.7Confident91 Ų9172.5 Ų72.556%0.55841%0.414SS*.SBendtrans-72.2-26.4172.443.50000112.6K5K5-T19 HydrophobicContact CG-CG2 3.76Å
20N89.1Confident88.5Confident64 Ų6478 Ų7834%0.34244%0.437SS..SBendtrans-132.9148.1-176.6-176.316.2000110.9F7 F18 D22 H23 L24F7-N20 VanDerWaalsContact CD2-C 3.45Å; F18-N20 VanDerWaalsContact C-N 3.32Å; F18-N20 WeakPolarHBondContact CB-O 3.26Å; N20-D22 VanDerWaalsContact C-N 3.33Å; N20-D22 PolarHBondContact ND2-OD2 2.98Å; N20-D22 PolarHBondContact O-N 2.84Å; N20-H23 PolarHBondContact O-N 3.41Å; N20-L24 PolarHBondContact O-N 3.45Å
21E90Very high88.3Confident106 Ų10673.5 Ų73.550%0.49541%0.408SS..Hα-helixtrans-66-32.6178.8-168.6150.8-162.700112.4F7 H23 L24 A25F7-E21 HydrophobicContact CD1-CB 3.71Å; F7-E21 HydrophobicContact CD1-CG 4.05Å; F7-E21 HydrophobicContact CE1-CB 3.61Å; F7-E21 HydrophobicContact CE1-CG 4.14Å; F7-E21 HydrophobicContact CE2-CB 4.47Å; F7-E21 HydrophobicContact CG-CB 4.21Å; F7-E21 HydrophobicContact CZ-CB 4.01Å; E21-H23 VanDerWaalsContact C-N 3.31Å; E21-H23 PolarHBondContact O-N 3.07Å; E21-L24 CarbonylContact O-C 3.47Å; E21-L24 WeakPolarHBondContact O-CA 3.22Å; E21-L24 WeakPolarHBondContact O-CB 3.49Å; E21-L24 PolarHBondContact O-N 3.02Å; E21-A25 WeakPolarHBondContact O-CB 3.38Å; E21-A25 PolarHBondContact O-N 3.35Å
22D92.2Very high88.1Confident105 Ų10579.3 Ų79.356%0.56143%0.431SS*.Hα-helixtrans-57.3-43.6177.6-62.4-52.3000112.3N20 L24 A25 V26N20-D22 VanDerWaalsContact C-N 3.33Å; N20-D22 PolarHBondContact ND2-OD2 2.98Å; N20-D22 PolarHBondContact O-N 2.84Å; D22-L24 VanDerWaalsContact C-N 3.34Å; D22-A25 PolarHBondContact O-N 3.08Å; D22-V26 WeakPolarHBondContact O-CG2 3.11Å; D22-V26 PolarHBondContact O-N 3.01Å
23H91.8Very high87.5Confident106 Ų10681 Ų8149%0.49143%0.432SS..Hα-helixtrans-67.6-36.9177.1-58.8-37.4000111.4F18 N20 E21 H27F18-H23 HydrophobicContact CB-CB 4.06Å; F18-H23 HydrophobicContact CD1-CB 3.55Å; F18-H23 HydrophobicContact CE1-CB 4.33Å; F18-H23 HydrophobicContact CG-CB 3.96Å; N20-H23 PolarHBondContact O-N 3.41Å; E21-H23 VanDerWaalsContact C-N 3.31Å; E21-H23 PolarHBondContact O-N 3.07Å; H23-H27 WeakPolarHBondContact O-CB 3.48Å; H23-H27 PolarHBondContact O-N 3.37Å
24L91.9Very high86.8Confident12 Ų1281.1 Ų81.16%0.06342%0.418CS..Hα-helixtrans-65.8-38.1171.6173.561.9000111.7F7 C9 F18 N20 E21 D22 H27 K28F7-L24 HydrophobicContact CB-CB 3.98Å; F7-L24 HydrophobicContact CB-CD2 3.73Å; F7-L24 HydrophobicContact CB-CG 4.44Å; F7-L24 HydrophobicContact CD1-CD2 4.45Å; C9-L24 HydrophobicContact CB-CD1 3.76Å; F18-L24 HydrophobicContact CB-CB 4.34Å; F18-L24 HydrophobicContact CD2-CB 3.78Å; F18-L24 HydrophobicContact CD2-CD1 3.97Å; F18-L24 HydrophobicContact CD2-CG 4.48Å; F18-L24 HydrophobicContact CE2-CD1 4.19Å; F18-L24 HydrophobicContact CG-CB 4.27Å; N20-L24 PolarHBondContact O-N 3.45Å; E21-L24 CarbonylContact O-C 3.47Å; E21-L24 WeakPolarHBondContact O-CA 3.22Å; E21-L24 WeakPolarHBondContact O-CB 3.49Å; E21-L24 PolarHBondContact O-N 3.02Å; D22-L24 VanDerWaalsContact C-N 3.34Å; L24-H27 CarbonylContact O-C 3.58Å; L24-H27 PolarHBondContact O-N 2.83Å; L24-K28 HydrophobicContact CD1-CD 3.8Å; L24-K28 HydrophobicContact CD1-CG 3.9Å; L24-K28 HydrophobicContact CD2-CD 4.27Å; L24-K28 HydrophobicContact CG-CD 3.73Å; L24-K28 HydrophobicContact CG-CG 4.28Å; L24-K28 WeakPolarHBondContact O-CB 3.45Å; L24-K28 VanDerWaalsContact O-CG 3.27Å; L24-K28 WeakPolarHBondContact O-CG 3.01Å; L24-K28 PolarHBondContact O-N 3.14Å
25A91.4Very high85.4Confident51 Ų5184.4 Ų84.442%0.42143%0.433SS..Hα-helixtrans-67-51.2-178.900000111.2E21 D22 H27 K28 H29E21-A25 WeakPolarHBondContact O-CB 3.38Å; E21-A25 PolarHBondContact O-N 3.35Å; D22-A25 PolarHBondContact O-N 3.08Å; A25-H27 VanDerWaalsContact C-N 3.25Å; A25-H27 PolarHBondContact O-N 3.21Å; A25-K28 PolarHBondContact O-N 3Å; A25-K28 VanDerWaalsContact O-N 3.13Å; A25-H29 WeakPolarHBondContact O-CB 3.3Å; A25-H29 PolarHBondContact O-N 3.39Å
26V91.2Very high84.1Confident110 Ų11086.8 Ų86.867%0.66743%0.432SS*.Hα-helixtrans-59.2-38.9173.5175.50000111D22 H29 K30D22-V26 WeakPolarHBondContact O-CG2 3.11Å; D22-V26 PolarHBondContact O-N 3.01Å; V26-H29 PolarHBondContact O-N 2.96Å; V26-K30 PolarHBondContact O-N 3.22Å
27H91.9Very high82.5Confident11 Ų1186.6 Ų86.65%0.05143%0.43CS..Hα-helixtrans-68.6-37.3175.5175.699.2000113.3C9 C14 Q16 F18 H23 L24 A25 K30 H31C9-H27 PolarHBondContact SG-CD2 2.83Å; C9-H27 PolarHBondContact SG-NE2 2.97Å; C9-H27 VanDerWaalsContact SG-NE2 3.43Å; C14-H27 PolarHBondContact SG-CE1 3.43Å; C14-H27 PolarHBondContact SG-NE2 2.91Å; Q16-H27 PolarHBondContact OE1-CE1 3.47Å; Q16-H27 PolarHBondContact OE1-ND1 3.47Å; Q16-H27 VanDerWaalsContact OE1-ND1 3.15Å; F18-H27 HydrophobicContact CE1-CB 4.43Å; F18-H27 HydrophobicContact CE2-CB 3.87Å; F18-H27 AromaticContact CE2-CD2 3.81Å; F18-H27 AromaticContact CE2-CG 3.64Å; F18-H27 AromaticContact CE2-ND1 3.98Å; F18-H27 HydrophobicContact CZ-CB 3.68Å; F18-H27 AromaticContact CZ-CG 3.47Å; F18-H27 VanDerWaalsContact CZ-CG 3.47Å; F18-H27 AromaticContact CZ-ND1 3.44Å; F18-H27 WeakPolarHBondContact CZ-ND1 3.47Å; H23-H27 WeakPolarHBondContact O-CB 3.48Å; H23-H27 PolarHBondContact O-N 3.37Å; L24-H27 CarbonylContact O-C 3.58Å; L24-H27 PolarHBondContact O-N 2.83Å; A25-H27 VanDerWaalsContact C-N 3.25Å; A25-H27 PolarHBondContact O-N 3.21Å; H27-K30 WeakPolarHBondContact O-CB 3.12Å; H27-K30 PolarHBondContact O-N 3Å; H27-H31 AromaticContact CD2-CD2 3.77Å; H27-H31 AromaticContact CD2-NE2 3.48Å; H27-H31 PolarHBondContact CD2-NE2 3.14Å; H27-H31 AromaticContact CE1-NE2 3.59Å; H27-H31 AromaticContact NE2-CD2 3.67Å; H27-H31 AromaticContact NE2-CE1 3.97Å; H27-H31 AromaticContact NE2-NE2 2.89Å; H27-H31 PolarHBondContact NE2-NE2 2.9Å; H27-H31 PolarHBondContact O-CD2 2.87Å; H27-H31 PolarHBondContact O-N 3.42Å
28K89.3Confident80.5Confident101 Ų10182.6 Ų82.644%0.43943%0.432SS..Hα-helixtrans-65.9-42.8173.4-79.6166.266.3-175.30110.9L24 A25 K30 H31 E32L24-K28 HydrophobicContact CD1-CD 3.8Å; L24-K28 HydrophobicContact CD1-CG 3.9Å; L24-K28 HydrophobicContact CD2-CD 4.27Å; L24-K28 HydrophobicContact CG-CD 3.73Å; L24-K28 HydrophobicContact CG-CG 4.28Å; L24-K28 WeakPolarHBondContact O-CB 3.45Å; L24-K28 VanDerWaalsContact O-CG 3.27Å; L24-K28 WeakPolarHBondContact O-CG 3.01Å; L24-K28 PolarHBondContact O-N 3.14Å; A25-K28 PolarHBondContact O-N 3Å; A25-K28 VanDerWaalsContact O-N 3.13Å; K28-K30 PolarHBondContact O-N 3.28Å; K28-H31 WeakPolarHBondContact O-CA 3.47Å; K28-H31 WeakPolarHBondContact O-CB 3.21Å; K28-H31 PolarHBondContact O-N 3.07Å; K28-E32 PolarHBondContact O-N 3.48Å; K28-E32 VanDerWaalsContact O-N 3.09Å
29H89.1Confident78.9Confident91 Ų9186 Ų8642%0.42146%0.457SS..Hα-helixtrans-61.3-30.3174.2-16657.4000112.3A25 V26 H31 E32 M33A25-H29 WeakPolarHBondContact O-CB 3.3Å; A25-H29 PolarHBondContact O-N 3.39Å; V26-H29 PolarHBondContact O-N 2.96Å; H29-H31 VanDerWaalsContact C-N 3.34Å; H29-H31 PolarHBondContact O-N 3.16Å; H29-E32 IonicContact CE1-OE2 3.63Å; H29-E32 IonicContact CG-OE2 3.76Å; H29-E32 IonicContact ND1-OE2 2.75Å; H29-E32 PolarHBondContact ND1-OE2 3.31Å; H29-E32 WeakPolarHBondContact O-CB 3.38Å; H29-E32 PolarHBondContact O-N 3Å; H29-M33 WeakPolarHBondContact CE1-CE 3.17Å; H29-M33 WeakPolarHBondContact O-CB 3.41Å; H29-M33 WeakPolarHBondContact O-CG 3.19Å; H29-M33 PolarHBondContact O-N 3.21Å
30K86Confident76.9Confident117 Ų11786.5 Ų86.551%0.50947%0.471SS..Hα-helixtrans-64.7-32.7169.5-168.6-179.965.9176.40113.2V26 H27 K28 T34V26-K30 PolarHBondContact O-N 3.22Å; H27-K30 WeakPolarHBondContact O-CB 3.12Å; H27-K30 PolarHBondContact O-N 3Å; K28-K30 PolarHBondContact O-N 3.28Å; K30-T34 WeakPolarHBondContact O-CB 3.41Å; K30-T34 PolarHBondContact O-N 3.06Å; K30-T34 VanDerWaalsContact O-N 3.09Å; K30-T34 PolarHBondContact O-OG1 2.9Å
31H84.1Confident75Confident34 Ų3494 Ų9416%0.15750%0.495CS..Hα-helixtrans-76.2-27.8173.5-67.4-73000112.9A11 C14 H27 K28 H29 T34 K36A11-H31 HydrophobicContact CB-CB 4.18Å; C14-H31 PolarHBondContact SG-CE1 2.97Å; C14-H31 PolarHBondContact SG-NE2 3.14Å; H27-H31 AromaticContact CD2-CD2 3.77Å; H27-H31 AromaticContact CD2-NE2 3.48Å; H27-H31 PolarHBondContact CD2-NE2 3.14Å; H27-H31 AromaticContact CE1-NE2 3.59Å; H27-H31 AromaticContact NE2-CD2 3.67Å; H27-H31 AromaticContact NE2-CE1 3.97Å; H27-H31 AromaticContact NE2-NE2 2.89Å; H27-H31 PolarHBondContact NE2-NE2 2.9Å; H27-H31 PolarHBondContact O-CD2 2.87Å; H27-H31 PolarHBondContact O-N 3.42Å; K28-H31 WeakPolarHBondContact O-CA 3.47Å; K28-H31 WeakPolarHBondContact O-CB 3.21Å; K28-H31 PolarHBondContact O-N 3.07Å; H29-H31 VanDerWaalsContact C-N 3.34Å; H29-H31 PolarHBondContact O-N 3.16Å; H31-T34 VanDerWaalsContact O-O 3.06Å; H31-K36 HydrophobicContact CB-CD 4.09Å; H31-K36 PolarHBondContact CE1-NZ 3.46Å; H31-K36 WeakPolarHBondContact ND1-CE 3.39Å; H31-K36 PolarHBondContact ND1-NZ 2.83Å
32E81.1Confident72.8Confident139 Ų13994.2 Ų94.265%0.6550%0.499SS*.Hα-helixtrans-69-47.2172.2-177-177.5-175.100110.6K28 H29 T34K28-E32 PolarHBondContact O-N 3.48Å; K28-E32 VanDerWaalsContact O-N 3.09Å; H29-E32 IonicContact CE1-OE2 3.63Å; H29-E32 IonicContact CG-OE2 3.76Å; H29-E32 IonicContact ND1-OE2 2.75Å; H29-E32 PolarHBondContact ND1-OE2 3.31Å; H29-E32 WeakPolarHBondContact O-CB 3.38Å; H29-E32 PolarHBondContact O-N 3Å; E32-T34 VanDerWaalsContact C-N 3.28Å; E32-T34 PolarHBondContact O-N 3.28Å
33M72.4Confident70.8Confident135 Ų13596.5 Ų96.567%0.66551%0.511SS*.SBendtrans-78.7-2.7177.5-65.7-67.8168.800114.4H29H29-M33 WeakPolarHBondContact CE1-CE 3.17Å; H29-M33 WeakPolarHBondContact O-CB 3.41Å; H29-M33 WeakPolarHBondContact O-CG 3.19Å; H29-M33 PolarHBondContact O-N 3.21Å
34T66.9Low68.6Low79 Ų7999.1 Ų99.149%0.48553%0.529SS..SBendtrans-122.399.4176.9-51.50000109.8K30 H31 E32 K36K30-T34 WeakPolarHBondContact O-CB 3.41Å; K30-T34 PolarHBondContact O-N 3.06Å; K30-T34 VanDerWaalsContact O-N 3.09Å; K30-T34 PolarHBondContact O-OG1 2.9Å; H31-T34 VanDerWaalsContact O-O 3.06Å; E32-T34 VanDerWaalsContact C-N 3.28Å; E32-T34 PolarHBondContact O-N 3.28Å; T34-K36 WeakPolarHBondContact O-CG 3.41Å; T34-K36 PolarHBondContact O-N 2.74Å
35L58Low66.9Low106 Ų106106.4 Ų106.456%0.55557%0.567SS**  trans-51.1109.6176.8-71.9164.7000111.2F37 L66L35-F37 PolarHBondContact O-N 2.88Å; L35-F37 VanDerWaalsContact O-N 3.12Å; L35-L66 HydrophobicContact CD1-CD1 3.72Å; L35-L66 HydrophobicContact CD1-CD2 4.27Å; L35-L66 HydrophobicContact CD2-CD1 4.44Å; L35-L66 HydrophobicContact CD2-CD2 3.97Å
36K58.6Low65.1Low90 Ų90110.4 Ų110.439%0.39158%0.58SS.*  trans-85.189.3-169.6-59.8-155.876.1173.90112P12 H31 T34 G38P12-K36 PolarHBondContact O-NZ 2.62Å; H31-K36 HydrophobicContact CB-CD 4.09Å; H31-K36 PolarHBondContact CE1-NZ 3.46Å; H31-K36 WeakPolarHBondContact ND1-CE 3.39Å; H31-K36 PolarHBondContact ND1-NZ 2.83Å; T34-K36 WeakPolarHBondContact O-CG 3.41Å; T34-K36 PolarHBondContact O-N 2.74Å; K36-G38 PolarHBondContact O-N 3.15Å; K36-G38 VanDerWaalsContact O-N 3.14Å
37F51.1Low63.1Low95 Ų95112.9 Ų112.942%0.41759%0.588SS.*  trans-54.8119.6153.6-60.3-72.7000108.2L35 N60 V64L35-F37 PolarHBondContact O-N 2.88Å; L35-F37 VanDerWaalsContact O-N 3.12Å; F37-N60 HydrophobicContact CE1-CB 3.85Å; F37-N60 HydrophobicContact CZ-CB 4.14Å; F37-V64 HydrophobicContact CD1-CG1 4.12Å; F37-V64 HydrophobicContact CE1-CG1 3.93Å; F37-V64 HydrophobicContact CE1-CG2 4.1Å
38G48.3Very low61Low55 Ų55116.9 Ų116.957%0.56762%0.623SS**  trans-64.7164.1-176.700000112.1K36 A40K36-G38 PolarHBondContact O-N 3.15Å; K36-G38 VanDerWaalsContact O-N 3.14Å; G38-A40 PolarHBondContact O-N 3.31Å
39P53.1Low59Low107 Ų107117.6 Ų117.670%0.69563%0.631SS**  trans-52.1114.1173.5-25.434.9000110.3R41P39-R41 PolarHBondContact O-N 3.45Å
40A46.5Very low57Low103 Ų103121.5 Ų121.585%0.85165%0.65SS**  trans-58.5122.1-175.400000109.3G38G38-A40 PolarHBondContact O-N 3.31Å
41R50.3Low55.2Low221 Ų221120 Ų12083%0.83465%0.651SS**  trans-73.6136.9-174.4-65.9-179.161.8179.7-0.8110.5P39P39-R41 PolarHBondContact O-N 3.45Å
42N44Very low53.5Low110 Ų110124.2 Ų124.259%0.58868%0.681SS**SBendtrans52.4107.4162.958.2-103.3000118.4N44N42-N44 PolarHBondContact O-N 2.73Å
43D48.8Very low52.4Low154 Ų154120.9 Ų120.982%0.82467%0.67SS**  46.271.6121.2-52.9-68.3000117.3
44N47Very low51.6Low160 Ų160118.6 Ų118.686%0.85667%0.665SS**  trans-143.6109140.5-91-60.7000109.1N42N42-N44 PolarHBondContact O-N 2.73Å
45L56.3Low51.4Low165 Ų165119.4 Ų119.486%0.86467%0.67SS**  trans-72.3144-178.7-16866.9000110.1
46I53.1Low51.9Low136 Ų136122.5 Ų122.570%0.69768%0.675SS**  trans65.888.1176.5-33.4-174.6000116A48I46-A48 HydrophobicContact CG2-CB 4.21Å
47I48.6Very low52.4Low161 Ų161124.4 Ų124.483%0.82668%0.683SS**  -120.190.1129.4-59.4-178.4000107.1D49I47-D49 HydrophobicContact CG2-CB 3.95Å; I47-D49 PolarHBondContact O-N 3.34Å; I47-D49 VanDerWaalsContact O-N 3.16Å
48A49.4Very low53.5Low95 Ų95123.9 Ų123.979%0.78568%0.684SS**  trans-85.852.3175.600000111I46I46-A48 HydrophobicContact CG2-CB 4.21Å
49D46.3Very low54.4Low116 Ų116127.5 Ų127.562%0.6268%0.684SS**  trans-101.8103.4175.6-165.9-25.4000110.4I47 T51I47-D49 HydrophobicContact CG2-CB 3.95Å; I47-D49 PolarHBondContact O-N 3.34Å; I47-D49 VanDerWaalsContact O-N 3.16Å; D49-T51 VanDerWaalsContact C-N 3.34Å; D49-T51 PolarHBondContact O-N 2.8Å; D49-T51 VanDerWaalsContact O-N 3.15Å; D49-T51 PolarHBondContact OD1-OG1 3.12Å; D49-T51 VanDerWaalsContact OD1-OG1 3.07Å
50Q47.4Very low55.1Low174 Ų174124.3 Ų124.381%0.81366%0.662SS**  trans-82.575.9175.5-90.1-81.729.200110.8
51T47.3Very low56.2Low86 Ų86119.9 Ų119.953%0.52862%0.624SS.*  trans-124.9102.5160.633.70000111.3D49 T53D49-T51 VanDerWaalsContact C-N 3.34Å; D49-T51 PolarHBondContact O-N 2.8Å; D49-T51 VanDerWaalsContact O-N 3.15Å; D49-T51 PolarHBondContact OD1-OG1 3.12Å; D49-T51 VanDerWaalsContact OD1-OG1 3.07Å; T51-T53 PolarHBondContact O-N 3.36Å
52P48.9Very low57.2Low121 Ų121115.2 Ų115.279%0.78661%0.612SS**  trans-76.151.7172.833.7-36.2000111.1
53T57.5Low58.5Low69 Ų69117.2 Ų117.242%0.42362%0.618SS.*  trans-67.6123.1179-51.90000108.6T51 T55 R56T51-T53 PolarHBondContact O-N 3.36Å; T53-T55 PolarHBondContact O-N 2.98Å; T53-R56 PolarHBondContact O-N 3.29Å
54P56.7Low59.3Low87 Ų87113.9 Ų113.957%0.56560%0.602SS**Hα-helixtrans-57.8-28.4-170.420.4-32.6000112.9R56 F57 L58P54-R56 VanDerWaalsContact C-N 3.26Å; P54-R56 PolarHBondContact O-N 2.92Å; P54-F57 PolarHBondContact O-N 2.95Å; P54-F57 VanDerWaalsContact O-N 3.08Å; P54-L58 HydrophobicContact CB-CD1 4.43Å; P54-L58 WeakPolarHBondContact O-CB 3.44Å; P54-L58 VanDerWaalsContact O-CG 3.26Å; P54-L58 WeakPolarHBondContact O-CG 3.49Å; P54-L58 PolarHBondContact O-N 3.08Å
55T61.7Low60.2Low97 Ų97107.9 Ų107.960%0.59558%0.579SS**Hα-helixtrans-51.9-36.9174.7-30.30000113.9T53 K59T53-T55 PolarHBondContact O-N 2.98Å; T55-K59 WeakPolarHBondContact O-CB 3.47Å; T55-K59 PolarHBondContact O-N 2.82Å
56R69.9Low60.5Low171 Ų171101.7 Ų101.765%0.64555%0.547SS*.Hα-helixtrans-73-41.2177.9-168.8-175.3-177.6-70.9-1.1111.3T53 P54 K59 N60T53-R56 PolarHBondContact O-N 3.29Å; P54-R56 VanDerWaalsContact C-N 3.26Å; P54-R56 PolarHBondContact O-N 2.92Å; R56-K59 PolarHBondContact O-N 3.02Å; R56-N60 PolarHBondContact O-N 3.12Å; R56-N60 PolarHBondContact O-ND2 3.08Å
57F67.8Low60.6Low129 Ų12999.8 Ų99.857%0.56653%0.533SS*.Hα-helixtrans-63.8-48.5175.6179-99.7000110.9P54 K59 N60 C61P54-F57 PolarHBondContact O-N 2.95Å; P54-F57 VanDerWaalsContact O-N 3.08Å; F57-K59 VanDerWaalsContact C-N 3.34Å; F57-K59 PolarHBondContact O-N 3.3Å; F57-N60 PolarHBondContact O-N 3.1Å; F57-C61 PolarHBondContact O-N 3.14Å; F57-C61 PolarHBondContact O-SG 3.46Å; F57-C61 VanDerWaalsContact O-SG 3.35Å
58L73.4Confident61.2Low84 Ų8498.7 Ų98.744%0.4453%0.529SS..Hα-helixtrans-52.8-49.5174.1-68.8165.7000111.2P54 N60 C61 E62 F67P54-L58 HydrophobicContact CB-CD1 4.43Å; P54-L58 WeakPolarHBondContact O-CB 3.44Å; P54-L58 VanDerWaalsContact O-CG 3.26Å; P54-L58 WeakPolarHBondContact O-CG 3.49Å; P54-L58 PolarHBondContact O-N 3.08Å; L58-N60 VanDerWaalsContact C-N 3.35Å; L58-N60 PolarHBondContact O-N 2.96Å; L58-C61 WeakPolarHBondContact O-CB 3.14Å; L58-C61 PolarHBondContact O-N 2.91Å; L58-C61 VanDerWaalsContact O-N 3.14Å; L58-E62 WeakPolarHBondContact O-CB 3.37Å; L58-E62 PolarHBondContact O-N 3Å; L58-F67 HydrophobicContact CD2-CZ 3.81Å
59K68.7Low61.5Low132 Ų132101.2 Ų101.257%0.57453%0.525SS*.Hα-helixtrans-64.2-34.8177.2-172173-178.8179.50113.6T55 R56 F57 C61 E62 E63T55-K59 WeakPolarHBondContact O-CB 3.47Å; T55-K59 PolarHBondContact O-N 2.82Å; R56-K59 PolarHBondContact O-N 3.02Å; F57-K59 VanDerWaalsContact C-N 3.34Å; F57-K59 PolarHBondContact O-N 3.3Å; K59-C61 VanDerWaalsContact C-N 3.34Å; K59-E62 WeakPolarHBondContact O-CB 3.41Å; K59-E62 PolarHBondContact O-N 3.33Å; K59-E63 VanDerWaalsContact O-CB 3.3Å; K59-E63 WeakPolarHBondContact O-CB 3.48Å; K59-E63 PolarHBondContact O-N 3.38Å
60N68.3Low61.7Low40 Ų40101.6 Ų101.621%0.21453%0.526CS..Hα-helixtrans-68.5-36.1174.5-81.2-124.4000110.9F37 R56 F57 L58 E63 V64F37-N60 HydrophobicContact CE1-CB 3.85Å; F37-N60 HydrophobicContact CZ-CB 4.14Å; R56-N60 PolarHBondContact O-N 3.12Å; R56-N60 PolarHBondContact O-ND2 3.08Å; F57-N60 PolarHBondContact O-N 3.1Å; L58-N60 VanDerWaalsContact C-N 3.35Å; L58-N60 PolarHBondContact O-N 2.96Å; N60-E63 PolarHBondContact O-N 2.97Å; N60-V64 WeakPolarHBondContact O-CG2 3.46Å; N60-V64 PolarHBondContact O-N 3.29Å
61C69.6Low62Low10 Ų1096 Ų967%0.06851%0.51CS..Hα-helixtrans-69.5-33.9173.9-67.10000113.2F57 L58 K59 G65 L66 F67F57-C61 PolarHBondContact O-N 3.14Å; F57-C61 PolarHBondContact O-SG 3.46Å; F57-C61 VanDerWaalsContact O-SG 3.35Å; L58-C61 WeakPolarHBondContact O-CB 3.14Å; L58-C61 PolarHBondContact O-N 2.91Å; L58-C61 VanDerWaalsContact O-N 3.14Å; K59-C61 VanDerWaalsContact C-N 3.34Å; C61-G65 PolarHBondContact O-N 2.89Å; C61-L66 HydrophobicContact CB-CB 4.46Å; C61-L66 HydrophobicContact CB-CD1 3.89Å; C61-L66 WeakPolarHBondContact O-CB 3.49Å; C61-L66 PolarHBondContact O-N 3.33Å; C61-F67 HydrophobicContact CB-CE2 4.3Å
62E70.3Confident62.5Low123 Ų12395.4 Ų95.458%0.57551%0.509SS*.Hα-helixtrans-65.1-44.9170.6-171.5-179.1-166.300111.3L58 K59 V64 G65 F67L58-E62 WeakPolarHBondContact O-CB 3.37Å; L58-E62 PolarHBondContact O-N 3Å; K59-E62 WeakPolarHBondContact O-CB 3.41Å; K59-E62 PolarHBondContact O-N 3.33Å; E62-V64 VanDerWaalsContact C-N 3.34Å; E62-V64 PolarHBondContact O-N 3.5Å; E62-G65 WeakPolarHBondContact O-CA 3.45Å; E62-G65 PolarHBondContact O-N 2.92Å; E62-F67 HydrophobicContact CB-CD2 3.81Å; E62-F67 HydrophobicContact CB-CE2 4.12Å; E62-F67 HydrophobicContact CG-CD2 4.28Å
63E70.8Confident62.7Low152 Ų15293.2 Ų93.271%0.7150%0.495SS*.Hα-helixtrans-66.6-30.2178.2-170.4170.6178.800113.2K59 N60 G65K59-E63 VanDerWaalsContact O-CB 3.3Å; K59-E63 WeakPolarHBondContact O-CB 3.48Å; K59-E63 PolarHBondContact O-N 3.38Å; N60-E63 PolarHBondContact O-N 2.97Å; E63-G65 VanDerWaalsContact C-N 3.34Å
64V65.9Low62.2Low83 Ų8397.2 Ų97.250%0.50351%0.506SS..THydrogen-bonded Turntrans-90.411.3168.2-55.90000114F37 N60 E62 L66F37-V64 HydrophobicContact CD1-CG1 4.12Å; F37-V64 HydrophobicContact CE1-CG1 3.93Å; F37-V64 HydrophobicContact CE1-CG2 4.1Å; N60-V64 WeakPolarHBondContact O-CG2 3.46Å; N60-V64 PolarHBondContact O-N 3.29Å; E62-V64 VanDerWaalsContact C-N 3.34Å; E62-V64 PolarHBondContact O-N 3.5Å; V64-L66 HydrophobicContact CG2-CD1 3.64Å; V64-L66 HydrophobicContact CG2-CG 3.95Å; V64-L66 PolarHBondContact O-N 3.2Å
65G65.4Low61.9Low35 Ų3597.1 Ų97.136%0.36150%0.501SS..THydrogen-bonded Turntrans78.86.5167.600000117.1C61 E62 E63 F67 N68C61-G65 PolarHBondContact O-N 2.89Å; E62-G65 WeakPolarHBondContact O-CA 3.45Å; E62-G65 PolarHBondContact O-N 2.92Å; E63-G65 VanDerWaalsContact C-N 3.34Å; G65-F67 PolarHBondContact O-N 3.48Å; G65-F67 VanDerWaalsContact O-N 3.16Å; G65-N68 VanDerWaalsContact O-CB 3.3Å; G65-N68 WeakPolarHBondContact O-CB 3.35Å; G65-N68 PolarHBondContact O-N 3.37Å
66L63Low61.6Low35 Ų3596.9 Ų96.918%0.18349%0.493CS..Hα-helixtrans-61.8-27.7-173.9-70.2160.8000113.5L35 C61 V64 N68 E69 L70L35-L66 HydrophobicContact CD1-CD1 3.72Å; L35-L66 HydrophobicContact CD1-CD2 4.27Å; L35-L66 HydrophobicContact CD2-CD1 4.44Å; L35-L66 HydrophobicContact CD2-CD2 3.97Å; C61-L66 HydrophobicContact CB-CB 4.46Å; C61-L66 HydrophobicContact CB-CD1 3.89Å; C61-L66 WeakPolarHBondContact O-CB 3.49Å; C61-L66 PolarHBondContact O-N 3.33Å; V64-L66 HydrophobicContact CG2-CD1 3.64Å; V64-L66 HydrophobicContact CG2-CG 3.95Å; V64-L66 PolarHBondContact O-N 3.2Å; L66-N68 VanDerWaalsContact C-N 3.32Å; L66-E69 PolarHBondContact O-N 3.43Å; L66-L70 WeakPolarHBondContact O-CG 3.27Å; L66-L70 PolarHBondContact O-N 3.07Å; L66-L70 VanDerWaalsContact O-N 3.07Å
67F55.9Low60.8Low95 Ų9593.3 Ų93.342%0.41749%0.487SS..Hα-helixtrans-72.2-21.7173.7-69-62.1000113.8L58 C61 E62 G65 E69 A71L58-F67 HydrophobicContact CD2-CZ 3.81Å; C61-F67 HydrophobicContact CB-CE2 4.3Å; E62-F67 HydrophobicContact CB-CD2 3.81Å; E62-F67 HydrophobicContact CB-CE2 4.12Å; E62-F67 HydrophobicContact CG-CD2 4.28Å; G65-F67 PolarHBondContact O-N 3.48Å; G65-F67 VanDerWaalsContact O-N 3.16Å; F67-E69 VanDerWaalsContact C-N 3.34Å; F67-A71 WeakPolarHBondContact O-CB 3.37Å; F67-A71 PolarHBondContact O-N 2.69Å
68N61.2Low60Low139 Ų13994.8 Ų94.874%0.74349%0.493SS*.Hα-helixtrans-70-35.4173.9-17183.7000111.1G65 L66G65-N68 VanDerWaalsContact O-CB 3.3Å; G65-N68 WeakPolarHBondContact O-CB 3.35Å; G65-N68 PolarHBondContact O-N 3.37Å; L66-N68 VanDerWaalsContact C-N 3.32Å
69E56Low59.1Low147 Ų14797 Ų9769%0.68750%0.499SS*.Hα-helixtrans-74.4-39.9174.5-165.8168.5-167.800111.6L66 F67 P73L66-E69 PolarHBondContact O-N 3.43Å; F67-E69 VanDerWaalsContact C-N 3.34Å; E69-P73 WeakPolarHBondContact O-CD 3.41Å
70L50.6Low58.3Low125 Ų12596 Ų9665%0.65450%0.495SS*.Hα-helixtrans-82.1-14.4179.8-68.6174.7000115.7L66 P73L66-L70 WeakPolarHBondContact O-CG 3.27Å; L66-L70 PolarHBondContact O-N 3.07Å; L66-L70 VanDerWaalsContact O-N 3.07Å; L70-P73 VanDerWaalsContact C-CD 3.46Å; L70-P73 WeakPolarHBondContact O-CD 3.41Å
71A53.7Low57.3Low57 Ų5798.8 Ų98.847%0.47152%0.517SS..Hα-helixtrans-82-30.5172.100000112.5F67F67-A71 WeakPolarHBondContact O-CB 3.37Å; F67-A71 PolarHBondContact O-N 2.69Å
72S57.7Low56.6Low73 Ų73101 Ų10151%0.5154%0.537SS..THydrogen-bonded Turntrans-72.1-7.2-176.5-160.40000118.1
73P53.2Low55.9Low74 Ų74100.4 Ų100.448%0.48153%0.534SS..THydrogen-bonded Turntrans-81.1-11.1173.1-16.532.6000115.7E69 L70E69-P73 WeakPolarHBondContact O-CD 3.41Å; L70-P73 VanDerWaalsContact C-CD 3.46Å; L70-P73 WeakPolarHBondContact O-CD 3.41Å
74F46.5Very low55.3Low153 Ų15397.9 Ų97.967%0.67153%0.525SS*.THydrogen-bonded Turntrans-121.5-35.5-179-82.6-84.6000113.5H76 F78F74-H76 VanDerWaalsContact C-N 3.34Å; F74-H76 PolarHBondContact O-N 3.09Å; F74-F78 HydrophobicContact CD1-CE2 4.34Å
75D50.3Low54.7Low86 Ų8699.8 Ų99.846%0.4653%0.533SS..Hα-helixtrans-68.1-33.8-177.6-125-87.4000112.8K79D75-K79 WeakPolarHBondContact O-CG 3.44Å; D75-K79 PolarHBondContact O-N 3.33Å; D75-K79 VanDerWaalsContact OD1-CE 3.22Å; D75-K79 WeakPolarHBondContact OD1-CE 3.43Å; D75-K79 IonicContact OD1-NZ 2.83Å; D75-K79 PolarHBondContact OD1-NZ 3.4Å
76H55.4Low54.3Low91 Ų91104.8 Ų104.842%0.42155%0.55SS..Hα-helixtrans-71.5-47-176.7177.1-101000112.5F74 K80F74-H76 VanDerWaalsContact C-N 3.34Å; F74-H76 PolarHBondContact O-N 3.09Å; H76-K80 PolarHBondContact NE2-NZ 3.21Å; H76-K80 WeakPolarHBondContact O-CB 3.39Å; H76-K80 PolarHBondContact O-N 3.42Å; H76-K80 VanDerWaalsContact O-N 3.15Å
77D53.8Low53.7Low97 Ų97109.5 Ų109.552%0.51957%0.569SS.*Hα-helixtrans-75.1-33.7-174.4-70.4-99.9000113.4S81D77-S81 WeakPolarHBondContact O-CB 3.36Å; D77-S81 PolarHBondContact O-N 3.26Å; D77-S81 PolarHBondContact O-OG 3.27Å
78F50.7Low53.6Low160 Ų160113.6 Ų113.670%0.70259%0.586SS**Hα-helixtrans-71-38.4176.5-90.5-86000113.3F74F74-F78 HydrophobicContact CD1-CE2 4.34Å
79K55Low53Low130 Ų130114.2 Ų114.257%0.56559%0.589SS**Hα-helixtrans-72.5-45.6178.3-74.9171.8174.9167.20111.8D75 S81 A82 E83D75-K79 WeakPolarHBondContact O-CG 3.44Å; D75-K79 PolarHBondContact O-N 3.33Å; D75-K79 VanDerWaalsContact OD1-CE 3.22Å; D75-K79 WeakPolarHBondContact OD1-CE 3.43Å; D75-K79 IonicContact OD1-NZ 2.83Å; D75-K79 PolarHBondContact OD1-NZ 3.4Å; K79-S81 VanDerWaalsContact C-N 3.26Å; K79-S81 PolarHBondContact O-N 2.89Å; K79-A82 PolarHBondContact O-N 2.87Å; K79-E83 PolarHBondContact O-N 3.26Å; K79-E83 VanDerWaalsContact O-N 3.14Å
80K51.3Low52.6Low112 Ų112112.5 Ų112.549%0.48759%0.59SS.*Hα-helixtrans-65.8-27.8-176.3-155.6168.6-138.1164.20113.8H76 A82 E83H76-K80 PolarHBondContact NE2-NZ 3.21Å; H76-K80 WeakPolarHBondContact O-CB 3.39Å; H76-K80 PolarHBondContact O-N 3.42Å; H76-K80 VanDerWaalsContact O-N 3.15Å; K80-A82 VanDerWaalsContact C-N 3.34Å; K80-E83 WeakPolarHBondContact CA-OE1 3.24Å
81S46.1Very low52.5Low97 Ų97114.5 Ų114.568%0.67860%0.601SS**Hα-helixtrans-74.5-22.2174-57.40000113.6D77 K79D77-S81 WeakPolarHBondContact O-CB 3.36Å; D77-S81 PolarHBondContact O-N 3.26Å; D77-S81 PolarHBondContact O-OG 3.27Å; K79-S81 VanDerWaalsContact C-N 3.26Å; K79-S81 PolarHBondContact O-N 2.89Å
82A56.3Low52.1Low57 Ų57117.4 Ų117.447%0.47161%0.608SS.*Hα-helixtrans-95.1-34.4-177.800000113K79 K80 D84 I86K79-A82 PolarHBondContact O-N 2.87Å; K80-A82 VanDerWaalsContact C-N 3.34Å; A82-D84 PolarHBondContact O-N 2.79Å; A82-I86 WeakPolarHBondContact O-CG1 3.43Å
83E55.9Low51.5Low110 Ų110122.2 Ų122.251%0.51463%0.627SS.*Hα-helixtrans-77-15.1-175.168.1-172.111700114.8K79 K80K79-E83 PolarHBondContact O-N 3.26Å; K79-E83 VanDerWaalsContact O-N 3.14Å; K80-E83 WeakPolarHBondContact CA-OE1 3.24Å
84D56.4Low50.9Low100 Ų100123.4 Ų123.454%0.53564%0.638SS.*THydrogen-bonded Turntrans-85.2-23.2-179.9-114.8-83.7000114.8A82 K87A82-D84 PolarHBondContact O-N 2.79Å; D84-K87 WeakPolarHBondContact O-CE 3.21Å; D84-K87 WeakPolarHBondContact OD1-CE 3.49Å; D84-K87 IonicContact OD1-NZ 2.74Å; D84-K87 PolarHBondContact OD1-NZ 2.78Å; D84-K87 IonicContact OD2-NZ 2.62Å; D84-K87 PolarHBondContact OD2-NZ 3.43Å
85D53.5Low51Low122 Ų122122.4 Ų122.465%0.65265%0.646SS**THydrogen-bonded Turntrans-83-34.7-178.7-16654.4000113K87 K88D85-K87 PolarHBondContact O-N 3.32Å; D85-K88 PolarHBondContact O-N 3.44Å
86I58.3Low50.4Low140 Ų140126.5 Ų126.572%0.71867%0.667SS**THydrogen-bonded Turntrans-63.6-14.7-172.4-19.9-179.5000113.9A82A82-I86 WeakPolarHBondContact O-CG1 3.43Å
87K50.4Low49.4Very low134 Ų134126.3 Ų126.358%0.58368%0.681SS**THydrogen-bonded Turntrans-97.518.2-172.765.7-156.5177-161.50115D84 D85D84-K87 WeakPolarHBondContact O-CE 3.21Å; D84-K87 WeakPolarHBondContact OD1-CE 3.49Å; D84-K87 IonicContact OD1-NZ 2.74Å; D84-K87 PolarHBondContact OD1-NZ 2.78Å; D84-K87 IonicContact OD2-NZ 2.62Å; D84-K87 PolarHBondContact OD2-NZ 3.43Å; D85-K87 PolarHBondContact O-N 3.32Å
88K54.1Low48.7Very low182 Ų182127.5 Ų127.579%0.79169%0.693SS**SBendtrans-134.75.2-176.6-102.4-168.1176.1-174.80119.2D85D85-K88 PolarHBondContact O-N 3.44Å
89L47.1Very low48.2Very low152 Ų152125.8 Ų125.880%0.79670%0.697SS**  trans-114.9110.6177-63.9179.1000111.7
90P48.2Very low47.5Very low110 Ų110126.7 Ų126.771%0.71471%0.707SS**  trans-91.3131.1-178.8-322.2000113.5
91L48Very low47Very low167 Ų167128.6 Ų128.687%0.87472%0.721SS**  trans62.6161.2165.2-73.386.2000115.9
92D46.3Very low46.6Very low118 Ų118134.5 Ų134.563%0.63173%0.728SS**  cis-162.9119.2-26.5160.332.9000106
93L43.8Very low45.7Very low174 Ų174138.4 Ų138.491%0.91174%0.741SS**  trans-146.7113.9163.6-76.1-177.5000109.4
94S42.3Very low44.8Very low100 Ų100139.5 Ų139.570%0.69974%0.744SS**  trans-73.5149.9-174.7-71.50000114
95P48.7Very low44.3Very low131 Ų131141.7 Ų141.785%0.85176%0.755SS**  trans-78.5128.9177.231.7-33.8000111.8
96L37.9Very low43.3Very low172 Ų172143.5 Ų143.590%0.90176%0.759SS**  trans-145.7148.3173.4-168.459.9000112.4
97A34.4Very low42.2Very low87 Ų87145.4 Ų145.472%0.71977%0.765SS**  trans6873.2170.700000118
98T38.7Very low41.8Very low123 Ų123144.3 Ų144.376%0.75577%0.771SS**PPolyproline II helixtrans-68.8131.6147.948.80000111.3
99P39.3Very low40.5Very low123 Ų123142.6 Ų142.680%0.79978%0.776SS**PPolyproline II helixtrans-80.3130150.231.6-29.5000109.7
100I41.6Very low40.1Very low149 Ų149142.2 Ų142.276%0.76478%0.78SS**PPolyproline II helixtrans-86.2122.4-175.7-62.2166.5000110.2
101I39.4Very low39.6Very low152 Ų152144.9 Ų144.978%0.77979%0.786SS**  trans-108.2127.5161.9-63.8-178.6000108.6N103I101-N103 PolarHBondContact O-N 3.16Å
102R38.6Very low38.9Very low222 Ų222143.8 Ų143.884%0.83878%0.782SS**  trans-98.368.6-156.4-168.2-170.5-178.3115.8-3.1112.7K104R102-K104 PolarHBondContact O-N 2.91Å
103N35.9Very low38.1Very low139 Ų139142.4 Ų142.474%0.74379%0.787SS**  trans-75.388.1172.6-74.525.8000110.5I101 I105I101-N103 PolarHBondContact O-N 3.16Å; N103-I105 PolarHBondContact O-N 3.46Å
104K37Very low38Very low133 Ų133142.1 Ų142.158%0.57878%0.781SS**  trans-73.8107.8172.8179.4178.3-178.5-72.10109.7R102 E106R102-K104 PolarHBondContact O-N 2.91Å; K104-E106 IonicContact NZ-OE1 2.68Å; K104-E106 PolarHBondContact NZ-OE1 3.42Å; K104-E106 IonicContact NZ-OE2 2.83Å; K104-E106 PolarHBondContact NZ-OE2 2.88Å
105I46.1Very low37.5Very low146 Ų146147.4 Ų147.475%0.74979%0.785SS**  trans-62.4132.3160.3-82.962.7000108N103N103-I105 PolarHBondContact O-N 3.46Å
106E34.3Very low36.6Very low159 Ų159147.2 Ų147.274%0.74378%0.777SS**  trans-157.4103.9155.8-167.7159.576.100111.6K104K104-E106 IonicContact NZ-OE1 2.68Å; K104-E106 PolarHBondContact NZ-OE1 3.42Å; K104-E106 IonicContact NZ-OE2 2.83Å; K104-E106 PolarHBondContact NZ-OE2 2.88Å
107E34.4Very low36.4Very low180 Ų180144.4 Ų144.484%0.84177%0.771SS**  trans-138.8137.2159.8-173.9-171.6142.400102.4
108P41.4Very low37.1Very low111 Ų111145.9 Ų145.972%0.72177%0.774SS**  cis-141.8151.63638.2-19000117.6
109T28.1Very low37.3Very low146 Ų146147.9 Ų147.990%0.89678%0.779SS**  trans-147.3143.2152.343.90000112.3
110V37.6Very low37.6Very low145 Ų145148.1 Ų148.188%0.87978%0.78SS**  trans-90.9130.2-177.9-164.50000111
111I37.5Very low37.6Very low165 Ų165148.3 Ų148.385%0.84678%0.778SS**  trans-150.3148.2150.645.1170.7000110.8
112D33.2Very low38.2Very low144 Ų144146.7 Ų146.777%0.7778%0.777SS**  trans-96.8135.8170.9178.5-84.1000110
113A31Very low38Very low90 Ų90144.4 Ų144.474%0.74478%0.776SS**  trans-166.2130.616200000112.3
114H40.5Very low37.9Very low168 Ų168142.6 Ų142.678%0.77877%0.774SS**  trans-69.1151.5169.2-61.6-119.2000112.3
115R32.7Very low37.9Very low211 Ų211142 Ų14280%0.79678%0.782SS**  166.6150102.3-79.9-147.779.8128.36.1114.4
116D28.3Very low37.8Very low126 Ų126141 Ų14167%0.67478%0.783SS**  trans57.7142.7148.8-73.4-126.7000124.9
117S34.4Very low37.6Very low113 Ų113139.1 Ų139.179%0.7979%0.787SS**  trans-70.8178166.7-94.10000112.4
118P48.7Very low38.1Very low118 Ų118137.5 Ų137.577%0.76679%0.785SS**  cis-143.4178.326.442.7-22.7000118.9
119L42.7Very low38.1Very low166 Ų166139.5 Ų139.587%0.86979%0.789SS**  trans-71.8150.4162.9-63.1166.5000112
120P46.8Very low38.8Very low127 Ų127140.8 Ų140.883%0.82578%0.782SS**  trans-101.9136159.134.7-28000112.6
121H40.3Very low38.4Very low154 Ų154140 Ų14071%0.71377%0.773SS**  trans-114.3155168.9-180-101.1000109.4
122P52.9Low38.3Very low117 Ų117139.2 Ų139.276%0.7677%0.77SS**  trans-130.1142.8155.234.3-20.7000114.1
123E34.8Very low38.2Very low174 Ų174138.1 Ų138.181%0.81377%0.773SS**  trans-99.4165.4-176.8-64.2170.294.600114.1
124S33.8Very low38.2Very low102 Ų102141.1 Ų141.171%0.71378%0.776SS**  trans-163.1108.6154.1-167.40000108.7
125T37.7Very low37.7Very low120 Ų120141.8 Ų141.874%0.73678%0.78SS**  54.6138.781.977.30000115.6
126T43.2Very low38.8Very low126 Ų126136.8 Ų136.877%0.77378%0.775SS**  cis-108.3-143.85.256.90000112.3
127S29.7Very low38.7Very low119 Ų119135 Ų13583%0.83278%0.777SS**  cis-158.7-179.17.9-126.90000111.9
128D44.2Very low38.4Very low146 Ų146134.4 Ų134.478%0.78177%0.773SS**  trans-145.2125.5-166.3-164.4-56.9000115.2
129D42.4Very low37.5Very low152 Ų152137 Ų13781%0.81378%0.779SS**  trans-171.4143.3147.365.5105.4000109
130K41.8Very low38.2Very low174 Ų174134.3 Ų134.376%0.75777%0.772SS**  cis90.4112.725.6-164.4174.6-177.9-179.90113.2
131D30.8Very low37.3Very low128 Ų128134.8 Ų134.868%0.68477%0.772SS**  -160.8-153.364-157.8-101.3000113.9
132L35.5Very low36.8Very low149 Ų149131.8 Ų131.878%0.7877%0.769SS**  trans-94.8156.5-167.7-7074.3000115.2
133S29.7Very low35.8Very low121 Ų121132 Ų13285%0.84677%0.768SS**  179.8162.6115.3-159.50000115.5
134L31.9Very low36.1Very low153 Ų153131 Ų13180%0.80177%0.767SS**  trans-81.5139.6-163.3-61160.2000117.5
135Q30.1Very low35.9Very low182 Ų182132.1 Ų132.185%0.8577%0.769SS**  trans65.1164.9132.6-74.7-87.1-51.200121.1
136P54.8Low36.2Very low106 Ų106135.1 Ų135.169%0.68877%0.774SS**  trans-126.1-172.9-146.546.5-36.5000115.9
137A27.4Very low36.3Very low88 Ų88134.6 Ų134.673%0.72777%0.773SS**  176.9154.6125.500000117
138S27.2Very low36.2Very low100 Ų100133.7 Ų133.770%0.69977%0.773SS**  trans59.7107.4139.2640000125.3
139L30Very low35.9Very low173 Ų173132.1 Ų132.191%0.90677%0.773SS**  58.1160119.1-82.6107.4000124
140P58.3Low35.5Very low109 Ų109133.3 Ų133.371%0.70878%0.779SS**  trans-122178.4-161.444.1-31000116.5
141T26Very low35.4Very low137 Ų137134 Ų13484%0.8479%0.785SS**  trans-168.1145.5169.2-80.20000108.5
142S30.6Very low35.6Very low92 Ų92134.2 Ų134.264%0.64379%0.79SS**  cis-170.8-175.3-19.6-87.50000109
143T31.6Very low35.7Very low120 Ų120132.6 Ų132.674%0.73679%0.789SS**  trans87.290.5148.1-46.10000119.9
144I41.9Very low35.9Very low153 Ų153133.4 Ų133.479%0.78578%0.784SS**  34.4117.4115.5-53.5159.6000118.4
145V30.1Very low36Very low126 Ų126132.2 Ų132.276%0.76478%0.782SS**  -149.2133.9127.5-172.70000110.1
146H42.5Very low36.2Very low183 Ų183129.3 Ų129.385%0.84777%0.772SS**  trans-123.5149.6152.9-83.5-109.7000106.9
147P44.9Very low35.2Very low115 Ų115131.8 Ų131.875%0.74778%0.779SS**  -155.5-179.9112.240.4-23.2000116.6
148A28.2Very low35.5Very low100 Ų100132.1 Ų132.183%0.82678%0.782SS**  trans84.3132.9149.900000119.7
149S38.9Very low35.7Very low113 Ų113133.4 Ų133.479%0.7979%0.785SS**  trans-100.1156.1-177.5-42.20000112.1
150L32.5Very low36Very low178 Ų178131.1 Ų131.193%0.93278%0.779SS**  trans-126.1147.2151.4-88.8172.9000110.2
151Q41.3Very low35Very low189 Ų189133.8 Ų133.888%0.88378%0.782SS**  trans-96.2149.7-172.8-61.71702.100110.4
152V35.2Very low35.4Very low131 Ų131131.5 Ų131.579%0.79478%0.777SS**  trans-119.1132.9173.2-175.30000108.7
153P37.1Very low35.4Very low116 Ų116133.2 Ų133.275%0.75379%0.789SS**  trans-64.6133.7-179.1-22.534000112.8
154N33.7Very low35.6Very low137 Ų137133.7 Ų133.773%0.73379%0.791SS**  trans-93.299.4179.9-168.811.9000110.7L156N154-L156 PolarHBondContact O-N 3.49Å
155V33.6Very low35.2Very low128 Ų128132.7 Ų132.778%0.77679%0.792SS**  trans-88.187.3175.1-176.40000109.1
156L35.4Very low35.3Very low121 Ų121134 Ų13463%0.63479%0.793SS**  trans-97.2107.9-174.9-163.4163.8000109.9N154 A158N154-L156 PolarHBondContact O-N 3.49Å; L156-A158 PolarHBondContact O-N 3.29Å
157L32.5Very low34.8Very low159 Ų159133.3 Ų133.383%0.83279%0.79SS**  trans-72.4119.4169.1-99.173.3000109.5T159L157-T159 PolarHBondContact O-N 3.09Å
158A33.2Very low34.5Very low95 Ų95133 Ų13379%0.78579%0.788SS**  trans-79.8120.4-168.100000113.8L156L156-A158 PolarHBondContact O-N 3.29Å
159T33Very low34.6Very low127 Ų127132 Ų13278%0.77978%0.78SS**  trans-145.9138.7156.543.70000105.7L157L157-T159 PolarHBondContact O-N 3.09Å
160T36.2Very low34.7Very low125 Ų125133.9 Ų133.977%0.76778%0.781SS**  cis-145-174.6-219.40000108.5
161E36.7Very low34.8Very low164 Ų164131.1 Ų131.177%0.76677%0.773SS**  trans-70.5149.8-171.856.8-9764.600117.7
162A34.1Very low34.6Very low89 Ų89126.7 Ų126.774%0.73676%0.763SS**  trans37.3109.8143.200000121.5
163S31.3Very low34.8Very low128 Ų128126.6 Ų126.690%0.89577%0.765SS**  -157.5157.5125.1-84.50000110.8
164V35.4Very low35.1Very low130 Ų130127.1 Ų127.179%0.78877%0.766SS**  trans-130.7136.4-160.9168.90000111.7
165V33.5Very low35.1Very low133 Ų133126.4 Ų126.481%0.80677%0.772SS**  trans68.4134.4170163.90000112.9
166I32.7Very low35.8Very low154 Ų154125.2 Ų125.279%0.7977%0.77SS**  cis-132.1155.131.1-56.8164.7000111.2
167Q32Very low35.7Very low167 Ų167124.6 Ų124.678%0.7878%0.775SS**  trans-102.8141.2164.2-161.2-139.3108.400110.2
168P38.7Very low36.3Very low108 Ų108123.1 Ų123.170%0.70177%0.773SS**  -146.6148.6111.337.3-22.8000116.2
169A29.5Very low36.8Very low81 Ų81125.3 Ų125.367%0.66977%0.77SS**  trans46.6121.7143.700000121.5
170L40.4Very low37.2Very low152 Ų152125.1 Ų125.180%0.79677%0.769SS**  trans-69151161.3-152.180.5000111.4
171P36.3Very low37.1Very low119 Ų119127.4 Ų127.477%0.77377%0.771SS**  -128155123.336.6-31.7000113.4
172S36.8Very low37.2Very low97 Ų97125.8 Ų125.868%0.67877%0.771SS**  trans-71.3141.3-170.2-48.40000114.3T174S172-T174 PolarHBondContact O-N 3.13Å
173P39.3Very low37.5Very low129 Ų129126.9 Ų126.984%0.83877%0.771SS**  trans-82.2101.3169.732.3-32.4000111.5
174T42.8Very low37.9Very low126 Ų126126.1 Ų126.177%0.77377%0.766SS**  trans-83.3155.5149.631.30000110S172S172-T174 PolarHBondContact O-N 3.13Å
175S34Very low38.5Very low123 Ų123126.4 Ų126.486%0.8677%0.768SS**SBendtrans94.5135.3176.5-42.10000115.9
176S48.2Very low39.1Very low102 Ų102127.3 Ų127.371%0.71377%0.768SS**  trans-78.6144.8-179.6-179.30000112
177S33.1Very low39.6Very low108 Ų108130.8 Ų130.876%0.75577%0.772SS**  trans-153.5107.6154.7-81.40000109.7I179S177-I179 PolarHBondContact O-N 2.75Å
178V44.1Very low39.9Very low129 Ų129128.5 Ų128.578%0.78277%0.771SS**  trans-81.7100.3172.2178.70000108
179I43.8Very low40.1Very low141 Ų141131.1 Ų131.172%0.72378%0.778SS**  trans-115.8109.6167.2-60178.1000107.5S177 Q181S177-I179 PolarHBondContact O-N 2.75Å; I179-Q181 PolarHBondContact O-N 3.3Å
180T42.2Very low40.6Very low123 Ų123132.4 Ų132.476%0.75578%0.777SS**  trans-70.193.5176.7-51.60000109.6V182T180-V182 PolarHBondContact O-N 2.9Å
181Q34Very low40.8Very low173 Ų173130.4 Ų130.481%0.80877%0.773SS**PPolyproline II helixtrans-65.5120.1168.8-71.1-168.6100109.5I179I179-Q181 PolarHBondContact O-N 3.3Å
182V39.5Very low41.2Very low129 Ų129130.4 Ų130.478%0.78277%0.771SS**PPolyproline II helixtrans-73.5124.7168.7-1710000107.5T180 S184T180-V182 PolarHBondContact O-N 2.9Å; V182-S184 PolarHBondContact O-N 2.75Å
183P39Very low41.7Very low112 Ų112132.5 Ų132.573%0.72778%0.779SS**PPolyproline II helixtrans-66.8122.4-177.726.2-33.6000110.6T185P183-T185 PolarHBondContact O-N 2.94Å
184S40.9Very low42.4Very low113 Ų113127.4 Ų127.479%0.7975%0.75SS**PPolyproline II helixtrans-66.5124.8-176.8-170.70000111.9V182 N186V182-S184 PolarHBondContact O-N 2.75Å; S184-N186 VanDerWaalsContact C-N 3.29Å; S184-N186 PolarHBondContact O-N 3.28Å
185T48.1Very low42.8Very low136 Ų136125.4 Ų125.483%0.83474%0.738SS**SBendtrans-78.573.7-178.8-48.90000111.5P183P183-T185 PolarHBondContact O-N 2.94Å
186N44.7Very low43.9Very low151 Ų151126.7 Ų126.781%0.80773%0.729SS**  trans-155.4106.5155.8-123.4-92.3000111.8S184S184-N186 VanDerWaalsContact C-N 3.29Å; S184-N186 PolarHBondContact O-N 3.28Å
187R45Very low44.5Very low227 Ų227126.6 Ų126.686%0.85773%0.726SS**  trans-138.8132.1159.6-70.7-174.1179.7-112.5-0107
188P38.2Very low46.5Very low119 Ų119124.8 Ų124.877%0.77371%0.71SS**  trans-64.7136.6178.526.7-33.8000110.3V190P188-V190 PolarHBondContact O-N 3.15Å
189I41.2Very low47.9Very low164 Ų164124.1 Ų124.184%0.84170%0.701SS**  trans-82.6105.9-179.2-59174.1000108.5
190V41.2Very low49.5Very low108 Ų108122.3 Ų122.366%0.65569%0.692SS**  trans-83.8132.5162.5-178.30000107.7P188 V192P188-V190 PolarHBondContact O-N 3.15Å; V190-V192 PolarHBondContact O-N 2.98Å
191P43.3Very low51Low109 Ų109121.9 Ų121.971%0.70868%0.682SS**  trans-68.199.9175.427.5-33.7000110.1T193P191-T193 PolarHBondContact O-N 3.07Å; P191-T193 VanDerWaalsContact O-N 3.12Å
192V45.7Very low53.4Low120 Ų120116.6 Ų116.673%0.72766%0.659SS**  trans-77.396.2173.4179.80000108.6V190 G194V190-V192 PolarHBondContact O-N 2.98Å; V192-G194 PolarHBondContact O-N 3.31Å
193T48.3Very low54.5Low140 Ų140117.3 Ų117.386%0.85967%0.666SS**  trans-69.873.6167.3-50.70000109.4P191P191-T193 PolarHBondContact O-N 3.07Å; P191-T193 VanDerWaalsContact O-N 3.12Å
194G52Low56.2Low22 Ų22117.1 Ų117.123%0.22766%0.659CS.*  trans-121.5124.6-174.800000111.9V192 F196V192-G194 PolarHBondContact O-N 3.31Å; G194-F196 WeakPolarHBondContact O-CD2 3.39Å; G194-F196 PolarHBondContact O-N 3.45Å
195T51.3Low57.9Low84 Ų84114.5 Ų114.552%0.51565%0.65SS.*  trans-65.8113170.2-57.70000109.7P197 A211T195-P197 WeakPolarHBondContact O-CD 3.44Å; T195-A211 HydrophobicContact CG2-CB 3.8Å
196F58Low59.1Low151 Ų151113.2 Ų113.266%0.66263%0.634SS**EExtended strand (participates in β ladder)trans-75120.7176.1-68.8-84.5000110.2G194 V198G194-F196 WeakPolarHBondContact O-CD2 3.39Å; G194-F196 PolarHBondContact O-N 3.45Å; F196-V198 PolarHBondContact O-N 3.45Å
197P60.7Low60.2Low100 Ų100109.5 Ų109.565%0.64962%0.617SS**EExtended strand (participates in β ladder)trans-78.8110175.930.8-32000109.9T195T195-P197 WeakPolarHBondContact O-CD 3.44Å
198V74.6Confident61.3Low69 Ų69103.1 Ų103.142%0.41860%0.598SS.*EExtended strand (participates in β ladder)trans-93.1118.7175.7-179.80000108.7F196 L200 V210 I212F196-V198 PolarHBondContact O-N 3.45Å; V198-L200 PolarHBondContact O-N 3.36Å; V198-V210 PolarHBondContact N-O 2.98Å; V198-V210 PolarHBondContact O-N 3.18Å; V198-I212 HydrophobicContact CB-CD1 4.4Å; V198-I212 HydrophobicContact CG2-CD1 3.87Å; V198-I212 HydrophobicContact CG2-CG1 4.44Å
199L74.7Confident62.7Low116 Ų116101.8 Ų101.861%0.60759%0.589SS**EExtended strand (participates in β ladder)trans-79.2106.5173.8-63.5-178.3000109.7P209L199-P209 HydrophobicContact CD2-CB 3.93Å
200L76.2Confident64Low102 Ų10296.9 Ų96.953%0.53457%0.567SS.*EExtended strand (participates in β ladder)trans-85.4121.5174.2-170.764.8000109.5V198 L202 T207 M208 V210V198-L200 PolarHBondContact O-N 3.36Å; L200-L202 WeakPolarHBondContact O-CD1 3.42Å; L200-T207 WeakPolarHBondContact O-CA 3.5Å; L200-M208 PolarHBondContact N-O 3.05Å; L200-M208 PolarHBondContact O-N 3.31Å; L200-V210 HydrophobicContact CB-CG2 3.95Å; L200-V210 HydrophobicContact CD2-CG2 4.39Å
201Q74Confident64.7Low115 Ų11595.2 Ų95.254%0.53756%0.564SS.*EExtended strand (participates in β ladder)trans-85.7110.9178.2-176.56880.400109.9G205 Q206Q201-G205 PolarHBondContact NE2-O 3.47Å; Q201-Q206 VanDerWaalsContact NE2-C 3.34Å; Q201-Q206 PolarHBondContact NE2-O 3.25Å
202L85.8Confident65.4Low61 Ų6194.6 Ų94.632%0.31955%0.554SS.*  trans-78155.6177.2-78.976.1000111.4L200 N204 G205 Q206 M208L200-L202 WeakPolarHBondContact O-CD1 3.42Å; L202-N204 WeakPolarHBondContact CB-OD1 3.1Å; L202-N204 PolarHBondContact O-N 3.05Å; L202-G205 PolarHBondContact O-N 2.83Å; L202-Q206 WeakPolarHBondContact CB-O 3.44Å; L202-Q206 PolarHBondContact N-O 2.87Å; L202-M208 HydrophobicContact CD1-CB 3.78Å; L202-M208 HydrophobicContact CD1-CG 3.59Å
203P61.1Low65.4Low145 Ų14593.5 Ų93.594%0.94255%0.55SS*.THydrogen-bonded Turntrans-61.5-15.1179.9-24.434.9000115.4G205P203-G205 VanDerWaalsContact C-N 3.27Å
204N74.9Confident65.6Low107 Ų10789.6 Ų89.657%0.57253%0.532SS*.THydrogen-bonded Turntrans-82.82.7174.568.9-12.2000113.6L202 Q206L202-N204 WeakPolarHBondContact CB-OD1 3.1Å; L202-N204 PolarHBondContact O-N 3.05Å; N204-Q206 VanDerWaalsContact C-N 3.34Å; N204-Q206 PolarHBondContact ND2-OE1 3.36Å; N204-Q206 VanDerWaalsContact OD1-CB 3.22Å; N204-Q206 WeakPolarHBondContact OD1-CB 3.42Å; N204-Q206 PolarHBondContact OD1-N 2.94Å
205G77.8Confident65.4Low58 Ų5893.7 Ų93.760%0.59856%0.556SS**SBendtrans84.6-0.9-176.800000114.8Q201 L202 P203Q201-G205 PolarHBondContact NE2-O 3.47Å; L202-G205 PolarHBondContact O-N 2.83Å; P203-G205 VanDerWaalsContact C-N 3.27Å
206Q72.1Confident65.1Low110 Ų11096.1 Ų96.151%0.51457%0.565SS.*  trans-87.4134.2178.7-163.2171.920.700111.6Q201 L202 N204Q201-Q206 VanDerWaalsContact NE2-C 3.34Å; Q201-Q206 PolarHBondContact NE2-O 3.25Å; L202-Q206 WeakPolarHBondContact CB-O 3.44Å; L202-Q206 PolarHBondContact N-O 2.87Å; N204-Q206 VanDerWaalsContact C-N 3.34Å; N204-Q206 PolarHBondContact ND2-OE1 3.36Å; N204-Q206 VanDerWaalsContact OD1-CB 3.22Å; N204-Q206 WeakPolarHBondContact OD1-CB 3.42Å; N204-Q206 PolarHBondContact OD1-N 2.94Å
207T68.9Low64.4Low72 Ų7296.3 Ų96.344%0.44258%0.579SS.*EExtended strand (participates in β ladder)trans-91.6127.217149.70000110.7L200L200-T207 WeakPolarHBondContact O-CA 3.5Å
208M67.3Low63.3Low94 Ų9495.9 Ų95.946%0.46358%0.578SS.*EExtended strand (participates in β ladder)trans-111.6127.4173.6-75.1-67-6900110.5L200 L202 V210L200-M208 PolarHBondContact N-O 3.05Å; L200-M208 PolarHBondContact O-N 3.31Å; L202-M208 HydrophobicContact CD1-CB 3.78Å; L202-M208 HydrophobicContact CD1-CG 3.59Å; M208-V210 PolarHBondContact O-N 2.93Å
209P66.9Low61.9Low90 Ų9098.7 Ų98.758%0.58460%0.601SS**EExtended strand (participates in β ladder)trans-73.6117.5173.529.5-32.3000110.5L199L199-P209 HydrophobicContact CD2-CB 3.93Å
210V69.1Low60.5Low61 Ų6198.4 Ų98.437%0.3761%0.608SS.*EExtended strand (participates in β ladder)trans-102.5118.3172.4-177.30000108.4V198 L200 M208 I212V198-V210 PolarHBondContact N-O 2.98Å; V198-V210 PolarHBondContact O-N 3.18Å; L200-V210 HydrophobicContact CB-CG2 3.95Å; L200-V210 HydrophobicContact CD2-CG2 4.39Å; M208-V210 PolarHBondContact O-N 2.93Å; V210-I212 HydrophobicContact CG1-CG1 4.19Å
211A56.7Low58.7Low73 Ų7399.5 Ų99.560%0.60362%0.619SS**EExtended strand (participates in β ladder)trans-87.1108.3174.700000109.3T195 P213T195-A211 HydrophobicContact CG2-CB 3.8Å; A211-P213 WeakPolarHBondContact O-CD 2.94Å
212I56.9Low57.2Low97 Ų97102.1 Ų102.150%0.49763%0.631SS.*EExtended strand (participates in β ladder)trans-94.4116.1178.4-55.7-179.1000109V198 V210 A214V198-I212 HydrophobicContact CB-CD1 4.4Å; V198-I212 HydrophobicContact CG2-CD1 3.87Å; V198-I212 HydrophobicContact CG2-CG1 4.44Å; V210-I212 HydrophobicContact CG1-CG1 4.19Å; I212-A214 PolarHBondContact O-N 2.96Å
213P46.7Very low55.2Low97 Ų97105.3 Ų105.363%0.6365%0.647SS**  trans-62.5127.4179.1-22.634.3000112A211 S215A211-P213 WeakPolarHBondContact O-CD 2.94Å; P213-S215 PolarHBondContact O-N 3.44Å
214A52Low54Low58 Ų58102.8 Ų102.848%0.47963%0.631SS.*  trans-79.862.5-177.800000112.6I212I212-A214 PolarHBondContact O-N 2.96Å
215S47.7Very low52.3Low107 Ų107103.3 Ų103.375%0.74864%0.638SS**  trans-105.564.6-179.4-62.10000112.1P213P213-S215 PolarHBondContact O-N 3.44Å
216I44.2Very low50.4Low136 Ų136106.5 Ų106.570%0.69765%0.646SS**  trans-127.890.6174.750.3164.2000113S218I216-S218 PolarHBondContact O-N 3.31Å
217T43.3Very low49Very low155 Ų155108.1 Ų108.195%0.95166%0.657SS**  trans-75.958.7158.4-50.30000109.6
218S37.5Very low47.5Very low91 Ų91109.4 Ų109.464%0.63667%0.666SS**  trans-149.6115.7176.9-72.50000109I216I216-S218 PolarHBondContact O-N 3.31Å
219S45.8Very low46.4Very low127 Ų127111.9 Ų111.989%0.88868%0.68SS**  trans-73.8161167.2-166.40000110.4
220S45.1Very low45.2Very low110 Ų110113.2 Ų113.277%0.76969%0.687SS**  trans72.573.2178.1-168.20000117.5
221V38Very low43.8Very low126 Ų126120.1 Ų120.176%0.76471%0.706SS**  trans-130107.9142-177.70000108.7I223V221-I223 HydrophobicContact CG1-CG1 4.48Å; V221-I223 PolarHBondContact O-N 2.78Å
222H44.3Very low42.8Very low170 Ų170122.2 Ų122.279%0.78771%0.714SS**  trans-84.299.4176.4175.8-84.1000110.3P224H222-P224 WeakPolarHBondContact O-CD 3.25Å
223I41.9Very low42.1Very low128 Ų128123.5 Ų123.566%0.65673%0.726SS**  trans-74.1121.2174.5-55.1174.9000108.8V221 T225V221-I223 HydrophobicContact CG1-CG1 4.48Å; V221-I223 PolarHBondContact O-N 2.78Å; I223-T225 PolarHBondContact O-N 2.9Å
224P36.4Very low41.6Very low92 Ų92124.4 Ų124.460%0.59773%0.73SS**  trans-74.798.2175.830.2-33.1000110.2H222 T226H222-P224 WeakPolarHBondContact O-CD 3.25Å; P224-T226 VanDerWaalsContact C-N 3.26Å; P224-T226 PolarHBondContact O-N 3.46Å
225T39.8Very low41.3Very low118 Ų118127.6 Ų127.672%0.72474%0.743SS**  trans-69.880.7173.9-53.50000110.7I223 I227I223-T225 PolarHBondContact O-N 2.9Å; T225-I227 VanDerWaalsContact C-N 3.33Å; T225-I227 HydrophobicContact CG2-CG1 4.15Å; T225-I227 PolarHBondContact O-N 2.74Å
226T37.3Very low41Very low124 Ų124127.7 Ų127.776%0.76174%0.739SS**  trans-70.888.9170.455.20000109.3P224 P228P224-T226 VanDerWaalsContact C-N 3.26Å; P224-T226 PolarHBondContact O-N 3.46Å; T226-P228 VanDerWaalsContact O-CD 3.24Å; T226-P228 WeakPolarHBondContact O-CD 3.43Å
227I43.8Very low40.6Very low144 Ų144126.5 Ų126.574%0.73874%0.74SS**  trans-60.3116.1175.3-58.5173.2000108.2T225 L229T225-I227 VanDerWaalsContact C-N 3.33Å; T225-I227 HydrophobicContact CG2-CG1 4.15Å; T225-I227 PolarHBondContact O-N 2.74Å; I227-L229 PolarHBondContact O-N 3.23Å
228P37Very low40.4Very low99 Ų99123.9 Ų123.964%0.64373%0.734SS**  trans-70.2116.9172.429-31.6000108.2T226 V230T226-P228 VanDerWaalsContact O-CD 3.24Å; T226-P228 WeakPolarHBondContact O-CD 3.43Å; P228-V230 PolarHBondContact O-N 3.39Å
229L43.4Very low40.7Very low146 Ų146125.5 Ų125.576%0.76474%0.74SS**  trans-75.462.8176.2-171.163.7000110.9I227 R231I227-L229 PolarHBondContact O-N 3.23Å; L229-R231 PolarHBondContact O-N 3.04Å; L229-R231 VanDerWaalsContact O-N 3.1Å
230V41.8Very low40.4Very low119 Ų119125.6 Ų125.672%0.72174%0.738SS**  trans-69.9100.5166.5-75.80000108.2P228P228-V230 PolarHBondContact O-N 3.39Å
231R40Very low40.7Very low205 Ų205124 Ų12477%0.77474%0.738SS**  trans-56.9128.4168.7-70.8-178171.289.4-2.9107.9L229 V233L229-R231 PolarHBondContact O-N 3.04Å; L229-R231 VanDerWaalsContact O-N 3.1Å; R231-V233 PolarHBondContact O-N 3.44Å; R231-V233 VanDerWaalsContact O-N 3.08Å
232P36.6Very low41.1Very low117 Ų117125.4 Ų125.476%0.7674%0.74SS**  trans-63.3115.8175.925.6-32.8000108.9T234P232-T234 PolarHBondContact O-N 3.01Å; P232-T234 VanDerWaalsContact O-N 3.14Å
233V41Very low41.1Very low125 Ų125123.8 Ų123.876%0.75874%0.744SS**  trans-74.5102.5170.1176.50000106.9R231 V235R231-V233 PolarHBondContact O-N 3.44Å; R231-V233 VanDerWaalsContact O-N 3.08Å; V233-V235 HydrophobicContact CG1-CG2 4.42Å; V233-V235 PolarHBondContact O-N 3.33Å
234T37Very low41.2Very low115 Ų115120.8 Ų120.871%0.70675%0.745SS**  trans-64.796.3171.6-570000109P232 V236P232-T234 PolarHBondContact O-N 3.01Å; P232-T234 VanDerWaalsContact O-N 3.14Å; T234-V236 HydrophobicContact CG2-CG2 4.05Å; T234-V236 PolarHBondContact O-N 3.42Å
235V46Very low41.9Very low125 Ų125122 Ų12276%0.75875%0.753SS**  trans-71.894.1169.8-178.10000107.6V233V233-V235 HydrophobicContact CG1-CG2 4.42Å; V233-V235 PolarHBondContact O-N 3.33Å
236V40Very low42Very low110 Ų110122.6 Ų122.667%0.66776%0.759SS**  trans-69.6126.8174.5-177.80000108.6T234 A238T234-V236 HydrophobicContact CG2-CG2 4.05Å; T234-V236 PolarHBondContact O-N 3.42Å; V236-A238 PolarHBondContact O-N 3.04Å
237P36.5Very low42.4Very low110 Ų110122.1 Ų122.171%0.71476%0.761SS**  trans-59.2127.8172.9-2434.9000110.8V239P237-V239 PolarHBondContact O-N 3.37Å
238A40.3Very low42.3Very low101 Ų101121.4 Ų121.484%0.83577%0.766SS**  trans-70114.7-17400000111.9V236V236-A238 PolarHBondContact O-N 3.04Å
239V42.6Very low42.3Very low125 Ų125125.7 Ų125.776%0.75878%0.777SS**  trans-92.1122.3167.3-178.90000108.2P237 G241P237-V239 PolarHBondContact O-N 3.37Å; V239-G241 PolarHBondContact O-N 3.42Å
240P40.2Very low42.4Very low129 Ų129123.5 Ų123.584%0.83877%0.771SS**SBendtrans-66.1131.3176.2-19.732.3000111.4
241G51Low42.3Very low76 Ų76125.6 Ų125.678%0.78477%0.774SS**SBendtrans142.5-1.8163.900000119.3V239V239-G241 PolarHBondContact O-N 3.42Å
242I47.4Very low42.4Very low156 Ų156121.2 Ų121.280%0.877%0.771SS**SBendtrans-130.7141.5178.853174.5000113G244I242-G244 PolarHBondContact O-N 3.14Å
243P44.1Very low43Very low135 Ų135122.4 Ų122.488%0.87778%0.776SS**PPolyproline II helixtrans-67.3128.4176.7-19.432.7000112.2
244G43Very low43.6Very low66 Ų66122.7 Ų122.768%0.6877%0.769SS**PPolyproline II helixtrans-86.6151.7174.800000113.1I242I242-G244 PolarHBondContact O-N 3.14Å
245P51.1Low44.9Very low118 Ų118120.8 Ų120.877%0.76676%0.761SS**PPolyproline II helixtrans-67.6159.1170.130.6-35.2000111.7
246P41.4Very low45.9Very low130 Ų130122.7 Ų122.784%0.84476%0.761SS**PPolyproline II helixtrans-67.1138.5-171.125.9-35.1000113.9
247S46.3Very low46.9Very low114 Ų114121 Ų12180%0.79776%0.759SS**PPolyproline II helixtrans-66.4139.9177.6-59.40000113.2
248P42.3Very low48.4Very low129 Ų129121.1 Ų121.184%0.83875%0.748SS**PPolyproline II helixtrans-73.7136.5166.730.2-32.8000111.6
249Q35.9Very low49.9Very low188 Ų188121.2 Ų121.288%0.87973%0.734SS**  trans-82.9-176.8174.8-116.6-167.8-121.700111.6
250P46.1Very low51.1Low100 Ų100123 Ų12365%0.64973%0.732SS**  trans-105.5164.4-13241.5-36.1000116.2
251Q38.9Very low52.6Low164 Ų164122.5 Ų122.577%0.76672%0.722SS**  trans47.8111.6146.4-66.1-70.6-23.600118.2V253Q251-V253 PolarHBondContact O-N 3.42Å
252P41.8Very low53.7Low112 Ų112124.3 Ų124.373%0.72771%0.708SS**  trans-70103.3174.529.7-33.7000111.4Q254P252-Q254 PolarHBondContact O-N 3.32Å; P252-Q254 VanDerWaalsContact O-N 3.12Å
253V50.3Low54.6Low142 Ų142119.4 Ų119.486%0.86169%0.69SS**  trans-56.9114.4174.8-176.60000109.5Q251 S255Q251-V253 PolarHBondContact O-N 3.42Å; V253-S255 PolarHBondContact O-N 2.99Å
254Q53.3Low55.4Low131 Ų131117.1 Ų117.161%0.61267%0.674SS**  trans-79.4112.6179.5-59-143.21700109.9P252P252-Q254 PolarHBondContact O-N 3.32Å; P252-Q254 VanDerWaalsContact O-N 3.12Å
255S64.2Low56.6Low76 Ų76120.1 Ų120.153%0.53167%0.674SS.*  trans-59.8143.2-179.356.30000112.3V253 A257 K258 L259V253-S255 PolarHBondContact O-N 2.99Å; S255-A257 PolarHBondContact O-N 3.21Å; S255-A257 VanDerWaalsContact O-N 3.08Å; S255-K258 WeakPolarHBondContact O-CB 3.48Å; S255-K258 PolarHBondContact O-N 2.91Å; S255-L259 PolarHBondContact O-N 3.48Å
256E66.1Low57.1Low164 Ų164119.7 Ų119.777%0.76667%0.673SS**Hα-helixtrans-56.2-30.4-176.3-67.3-175.688.900113.3K258 L259 K260E256-K258 VanDerWaalsContact C-N 3.26Å; E256-K258 PolarHBondContact O-N 3.46Å; E256-L259 CarbonylContact O-C 3.54Å; E256-L259 WeakPolarHBondContact O-CA 3.47Å; E256-L259 WeakPolarHBondContact O-CB 3.47Å; E256-L259 PolarHBondContact O-N 3.06Å; E256-K260 PolarHBondContact O-N 2.86Å
257A61.7Low58Low74 Ų74121.8 Ų121.861%0.61267%0.671SS**Hα-helixtrans-53.4-42.6173.500000112.2S255 K260 L261S255-A257 PolarHBondContact O-N 3.21Å; S255-A257 VanDerWaalsContact O-N 3.08Å; A257-K260 PolarHBondContact O-N 2.96Å; A257-L261 WeakPolarHBondContact O-CB 3.5Å; A257-L261 PolarHBondContact O-N 2.99Å
258K67.3Low58.1Low113 Ų113123.5 Ų123.549%0.49167%0.666SS.*Hα-helixtrans-73.4-31.7176.9-131.4179.868.7-178.30112S255 E256 K262S255-K258 WeakPolarHBondContact O-CB 3.48Å; S255-K258 PolarHBondContact O-N 2.91Å; E256-K258 VanDerWaalsContact C-N 3.26Å; E256-K258 PolarHBondContact O-N 3.46Å; K258-K262 PolarHBondContact O-N 3.32Å
259L72.2Confident58Low103 Ų103123.3 Ų123.354%0.53966%0.658SS.*Hα-helixtrans-69.2-34.2174.8-163.376.1000112.4S255 E256 K262S255-L259 PolarHBondContact O-N 3.48Å; E256-L259 CarbonylContact O-C 3.54Å; E256-L259 WeakPolarHBondContact O-CA 3.47Å; E256-L259 WeakPolarHBondContact O-CB 3.47Å; E256-L259 PolarHBondContact O-N 3.06Å; L259-K262 HydrophobicContact CD1-CD 4.31Å; L259-K262 WeakPolarHBondContact O-CG 3.16Å; L259-K262 PolarHBondContact O-NZ 3.32Å
260K69.4Low58.1Low162 Ų162119.4 Ų119.470%0.70465%0.649SS**Hα-helixtrans-72.2-49.1172.2-111177.5177.4174.50111.6E256 A257 K262 A263 T264E256-K260 PolarHBondContact O-N 2.86Å; A257-K260 PolarHBondContact O-N 2.96Å; K260-K262 VanDerWaalsContact C-N 3.32Å; K260-K262 PolarHBondContact O-N 2.95Å; K260-A263 WeakPolarHBondContact O-CA 3.22Å; K260-A263 WeakPolarHBondContact O-CB 3.48Å; K260-A263 PolarHBondContact O-N 3.26Å; K260-T264 PolarHBondContact O-N 2.81Å; K260-T264 PolarHBondContact O-OG1 2.74Å
261L71.3Confident57.8Low120 Ų120122.3 Ų122.363%0.62865%0.654SS**Hα-helixtrans-54.8-45-177.5-175.265.1000112.5A257 A263 T264 L265A257-L261 WeakPolarHBondContact O-CB 3.5Å; A257-L261 PolarHBondContact O-N 2.99Å; L261-A263 PolarHBondContact O-N 3.22Å; L261-T264 PolarHBondContact O-N 3.31Å; L261-L265 WeakPolarHBondContact O-CB 3.35Å; L261-L265 PolarHBondContact O-N 2.93Å
262K74.2Confident57.8Low113 Ų113120.6 Ų120.649%0.49165%0.654SS.*Hα-helixtrans-63.2-30.1176.690-164.4-170.8-42.50112.9K258 L259 K260 C266K258-K262 PolarHBondContact O-N 3.32Å; L259-K262 HydrophobicContact CD1-CD 4.31Å; L259-K262 WeakPolarHBondContact O-CG 3.16Å; L259-K262 PolarHBondContact O-NZ 3.32Å; K260-K262 VanDerWaalsContact C-N 3.32Å; K260-K262 PolarHBondContact O-N 2.95Å; K262-C266 PolarHBondContact O-N 2.81Å; K262-C266 VanDerWaalsContact O-N 3.14Å
263A65.7Low57.7Low53 Ų53121 Ų12144%0.43866%0.655SS.*Hα-helixtrans-77.8-41.3-177.600000111K260 L261 C266 Q267K260-A263 WeakPolarHBondContact O-CA 3.22Å; K260-A263 WeakPolarHBondContact O-CB 3.48Å; K260-A263 PolarHBondContact O-N 3.26Å; L261-A263 PolarHBondContact O-N 3.22Å; A263-C266 PolarHBondContact O-N 3.3Å; A263-Q267 PolarHBondContact O-N 2.86Å
264T61.8Low56.9Low87 Ų87121.4 Ų121.453%0.53465%0.652SS.*Hα-helixtrans-62.2-44.6170.5-51.80000111K260 L261 C266 Q267 Q268K260-T264 PolarHBondContact O-N 2.81Å; K260-T264 PolarHBondContact O-OG1 2.74Å; L261-T264 PolarHBondContact O-N 3.31Å; T264-C266 VanDerWaalsContact C-N 3.33Å; T264-C266 PolarHBondContact O-N 2.88Å; T264-Q267 PolarHBondContact O-N 3.36Å; T264-Q268 PolarHBondContact O-N 3.04Å
265L67.2Low56.1Low129 Ų129118.9 Ų118.968%0.67566%0.661SS**Hα-helixtrans-61.8-37.5179.5-169.665.5000112.7L261 Q267 Q268L261-L265 WeakPolarHBondContact O-CB 3.35Å; L261-L265 PolarHBondContact O-N 2.93Å; L265-Q267 VanDerWaalsContact C-N 3.28Å; L265-Q267 PolarHBondContact O-N 2.96Å; L265-Q268 PolarHBondContact O-N 3.35Å
266C61Low54.7Low110 Ų110123.4 Ų123.474%0.74368%0.679SS**Hα-helixtrans-69.7-18.6172.8-810000114.5K262 A263 T264K262-C266 PolarHBondContact O-N 2.81Å; K262-C266 VanDerWaalsContact O-N 3.14Å; A263-C266 PolarHBondContact O-N 3.3Å; T264-C266 VanDerWaalsContact C-N 3.33Å; T264-C266 PolarHBondContact O-N 2.88Å
267Q61.2Low53.6Low173 Ų173119 Ų11981%0.80868%0.678SS**Hα-helixtrans-88.2-21.2176.5-162.9176.8109.800112.3A263 T264 L265 L269A263-Q267 PolarHBondContact O-N 2.86Å; T264-Q267 PolarHBondContact O-N 3.36Å; L265-Q267 VanDerWaalsContact C-N 3.28Å; L265-Q267 PolarHBondContact O-N 2.96Å; Q267-L269 VanDerWaalsContact C-N 3.3Å; Q267-L269 PolarHBondContact O-N 3.24Å
268Q47.8Very low52.2Low150 Ų150119.3 Ų119.370%0.70169%0.688SS**SBendtrans-821.9-174.9-155.368.734.700114.2T264 L265 P270T264-Q268 PolarHBondContact O-N 3.04Å; L265-Q268 PolarHBondContact O-N 3.35Å; Q268-P270 WeakPolarHBondContact O-CD 3.48Å
269L39.7Very low51Low125 Ų125123.2 Ų123.265%0.65471%0.708SS**SBendtrans-101.6110.8-179.2-172.269.4000111.1Q267 Q271Q267-L269 VanDerWaalsContact C-N 3.3Å; Q267-L269 PolarHBondContact O-N 3.24Å; L269-Q271 PolarHBondContact O-N 3.27Å
270P38.6Very low49.4Very low106 Ų106125.4 Ų125.469%0.68873%0.726SS**  trans-66119.8174.6-19.433000110.8Q268 V272Q268-P270 WeakPolarHBondContact O-CD 3.48Å; P270-V272 PolarHBondContact O-N 3.47Å
271Q41Very low48Very low161 Ų161125.9 Ų125.975%0.75273%0.73SS**  trans-71.8110.3174.9-65.9-74.724.900109.7L269 T273L269-Q271 PolarHBondContact O-N 3.27Å; Q271-T273 PolarHBondContact O-N 3.44Å
272V37Very low46.2Very low128 Ų128126.2 Ų126.278%0.77674%0.743SS**  trans-80.967.6177.2-1690000109.8P270 N274P270-V272 PolarHBondContact O-N 3.47Å; V272-N274 PolarHBondContact O-N 2.93Å
273T40.3Very low44.4Very low122 Ų122126.3 Ų126.375%0.74876%0.758SS**  trans-81.6109.6176.7-58.70000110Q271Q271-T273 PolarHBondContact O-N 3.44Å
274N34.7Very low42.9Very low150 Ų150128.9 Ų128.980%0.80278%0.779SS**  trans-94123.5170.4-85.6-46.5000111V272V272-N274 PolarHBondContact O-N 2.93Å
275G36.3Very low41.6Very low77 Ų77129.7 Ų129.779%0.79478%0.784SS**  trans7795.7150.700000118.4
276D34.6Very low40.3Very low172 Ų172131.2 Ų131.292%0.9279%0.79SS**  trans-143.7157.2130.7-165.218.1000109.5
277G41.7Very low39.2Very low72 Ų72134 Ų13474%0.74279%0.792SS**  trans-105.4130.4-171.900000113.8
278G33.1Very low37.9Very low80 Ų80132.2 Ų132.283%0.82579%0.793SS**  trans-157.1123.9172.800000112
279E43Very low37.4Very low195 Ų195131.8 Ų131.891%0.91180%0.801SS**  trans-79146.6177.4-60174.388.100111.8
280V38.4Very low37.1Very low149 Ų149132.4 Ų132.490%0.90381%0.805SS**  -174.7154.9126.4141.50000110.6
281Q39.6Very low37.1Very low171 Ų171133 Ų13380%0.79981%0.808SS**  trans-88153.5-166.7-56.2160.110.100113.6
282S34.3Very low36.8Very low127 Ų127129.5 Ų129.589%0.88881%0.808SS**  trans-159.3130.3136.2-84.50000110.9
283S35.9Very low37Very low116 Ų116128.8 Ų128.881%0.81181%0.808SS**  trans-101.9138.2-174.4-56.30000112.1
284A34Very low37.1Very low106 Ų106129.2 Ų129.288%0.87681%0.813SS**  trans-141.8110.8159.900000109.3
285V35.1Very low37.4Very low105 Ų105125.9 Ų125.964%0.63681%0.806SS**  trans-96.4127.5-177.71730000110.1H287V285-H287 VanDerWaalsContact CG1-CD2 3.48Å; V285-H287 WeakPolarHBondContact CG1-CD2 3.48Å
286I39.8Very low37.7Very low160 Ų160128.3 Ų128.382%0.82181%0.808SS**  trans-133.6124.5151.5-63.9-66.7000107.2
287H37.6Very low37.8Very low168 Ų168126.6 Ų126.678%0.77880%0.804SS**  trans-84.6135.7174.8-62.7167.1000111V285V285-H287 VanDerWaalsContact CG1-CD2 3.48Å; V285-H287 WeakPolarHBondContact CG1-CD2 3.48Å
288T33.1Very low38Very low136 Ų136128.7 Ų128.783%0.83481%0.805SS**  trans-134.2139.4153.8-62.70000108.3
289V36.6Very low38.5Very low141 Ų141131.3 Ų131.386%0.85581%0.805SS**PPolyproline II helixtrans-81.4145.2-168.7-1010000113.9
290N33.8Very low38.4Very low138 Ų138127.8 Ų127.874%0.73880%0.799SS**PPolyproline II helixtrans-90.9123.6178.9173.191.9000112.3
291P39.8Very low38.5Very low118 Ų118127.3 Ų127.377%0.76680%0.796SS**PPolyproline II helixtrans-82.2138.9160.833.2-30.5000110.9
292A34.8Very low38.8Very low89 Ų89124.2 Ų124.274%0.73679%0.791SS**PPolyproline II helixtrans-92157.3-170.700000114.7
293S40.4Very low38.9Very low113 Ų113124.6 Ų124.679%0.7979%0.788SS**PPolyproline II helixtrans-66.4143.9172.7-49.40000113.1
294P43.5Very low39.8Very low130 Ų130124.4 Ų124.484%0.84478%0.784SS**PPolyproline II helixtrans-77142.9157.5-9.427000111.1
295A39.7Very low40.4Very low80 Ų80125.3 Ų125.366%0.66178%0.78SS**PPolyproline II helixtrans-94154.9172.100000111.5
296P42.8Very low40.2Very low129 Ų129126.5 Ų126.584%0.83879%0.788SS**PPolyproline II helixtrans-73.6146.4179.530.9-35.5000112.5
297T36.5Very low40.7Very low135 Ų135123.7 Ų123.783%0.82878%0.78SS**  trans-141.2161.5175.7250000110.6
298P46.4Very low40.5Very low117 Ų117122 Ų12276%0.7678%0.781SS**  -108.3-178.8-12940.7-39.7000117.4
299T42.5Very low41.3Very low135 Ų135121.3 Ų121.383%0.82878%0.78SS**  trans-65152.6174.842.90000114.8
300P41.2Very low41.2Very low121 Ų121118.8 Ų118.879%0.78677%0.773SS**  trans-132.1120.3159.235.4-20.4000114.5
301V41.3Very low41.2Very low139 Ų139116.6 Ų116.684%0.84277%0.774SS**  trans-148.4121.9161.3171.30000104.5
302P45.4Very low41Very low106 Ų106118.4 Ų118.469%0.68878%0.776SS**  -159.2173.187.140.8-19.6000119.6
303T37.1Very low41Very low134 Ų134121.9 Ų121.982%0.82278%0.782SS**  trans77.3149.5148.637.20000122.7
304P53.8Low40.9Very low112 Ų112122.7 Ų122.773%0.72778%0.782SS**  trans-104.5179.8-174.143.2-37.2000114.6
305P46.4Very low41.3Very low125 Ų125121.8 Ų121.881%0.81278%0.776SS**  -145.2176.9108.139.3-24.4000117
306T32.5Very low41.2Very low130 Ų130122.1 Ų122.180%0.79878%0.779SS**  trans-75.8-175.1176.270000114
307P49.6Very low41.3Very low101 Ų101122.3 Ų122.366%0.65678%0.78SS**  cis-140.2162.4-9.937.9-18.7000118.5
308V33.3Very low41.2Very low132 Ų132124.8 Ų124.880%0.878%0.782SS**  trans42.3173.3141.6-500000122.5
309P51Low40.7Very low123 Ų123126.5 Ų126.580%0.79978%0.784SS**  cis-127.5-149.4-6.147.2-30.2000111.7
310A33.5Very low40.9Very low87 Ų87125.8 Ų125.872%0.71978%0.782SS**  cis-156.2126.6-6.400000111.3
311A33.3Very low40.3Very low92 Ų92126.1 Ų126.176%0.7678%0.782SS**  trans-17991.915700000109.2
312I35.4Very low39.9Very low156 Ų156125.6 Ų125.680%0.878%0.779SS**  66.191.285.3-56.9166.3000113.7
313L35.9Very low39.2Very low163 Ų163129.9 Ų129.985%0.85379%0.789SS**  -178.8159.6120.5-93.3178.3000111.5
314T38.7Very low38.9Very low130 Ų130131 Ų13180%0.79879%0.786SS**  trans-158.7175-166.8220000110.1
315P50.7Low38Very low111 Ų111130.2 Ų130.272%0.72179%0.788SS**  cis-138.7166.9-22.436.2-18.4000116.2
316A37.2Very low37.2Very low87 Ų87128.6 Ų128.672%0.71978%0.78SS**  trans58165.1144.500000120.2
317P46.1Very low37.2Very low132 Ų132128.5 Ų128.586%0.85778%0.779SS**  -125-174.865.239-27.1000114.8
318Q33.5Very low36.5Very low188 Ų188132.3 Ų132.388%0.87979%0.788SS**  trans-128.1170.2-174-76.5-168.7-30.300115
319L36.8Very low36.5Very low153 Ų153129.6 Ų129.680%0.80178%0.775SS**  trans-43.4152.3172.7-165.179.1000116.7
320P45.5Very low35.6Very low120 Ų120130.6 Ų130.678%0.77977%0.773SS**  trans-112.8157.5154.237.8-29000113.8
321T28.8Very low35.6Very low128 Ų128134.3 Ų134.379%0.78578%0.775SS**  trans-121.9161.3-177.7-43.60000111.7
322T32.8Very low35.7Very low127 Ų127137.9 Ų137.978%0.77978%0.776SS**  trans-50142.2177.7-370000116.4
323E30.7Very low36.4Very low196 Ų196135.9 Ų135.992%0.91677%0.774SS**  -162.2-173.2126.3-131.4174.977.200113
324E32.3Very low36.2Very low159 Ų159132.3 Ų132.374%0.74377%0.768SS**  trans-132.6151.8-155.1-175.6-107.3119.100114S326E324-S326 PolarHBondContact OE1-N 2.91Å
325A33.4Very low36Very low94 Ų94132.6 Ų132.678%0.77777%0.769SS**  trans-168.8102.2153.600000114.8
326S31.1Very low35.2Very low91 Ų91132.6 Ų132.664%0.63677%0.772SS**  trans5.1135.6149-165.60000123.2E324E324-S326 PolarHBondContact OE1-N 2.91Å
327T31.5Very low35.1Very low129 Ų129134.3 Ų134.379%0.79177%0.774SS**  172.5137.2106.733.50000116.3
328H35.3Very low34.7Very low181 Ų181133.8 Ų133.884%0.83877%0.768SS**  trans40.3138.7135.9-131.2-131000121.7
329S32.4Very low34.8Very low75 Ų75133.6 Ų133.652%0.52477%0.767SS.*  cis-172.7167.3-2.1-140.60000113.8
330L33.1Very low35.1Very low143 Ų143132.1 Ų132.175%0.74977%0.765SS**  trans63145.7146.5-83.1159.6000124.1
331Q33.1Very low35.4Very low165 Ų165132.3 Ų132.377%0.77177%0.766SS**  trans86.8104.6145.6-140.257.460.200122.3
332Q36.5Very low35.6Very low167 Ų167133.3 Ų133.378%0.7877%0.772SS**  trans-80.5162.1148.5-75.2-170.62.500109.9
333P48.4Very low35.7Very low115 Ų115130.3 Ų130.375%0.74777%0.766SS**  cis-156.1166.438.944.3-22.7000121.5
334A32.3Very low35.7Very low88 Ų88131.6 Ų131.673%0.72777%0.769SS**  trans67.6159.1136.200000125.1
335T33.9Very low35.8Very low135 Ų135132 Ų13283%0.82877%0.77SS**  trans100.2101.5154.367.10000122.4
336S34Very low35.8Very low112 Ų112132.2 Ų132.278%0.78377%0.772SS**  80.1166.6125.7-1440000122.8
337T36.2Very low35.8Very low123 Ų123134.5 Ų134.576%0.75578%0.777SS**  trans76.8101.6178-45.70000113.8
338T37.8Very low36.1Very low120 Ų120133.5 Ų133.574%0.73678%0.776SS**  79.611055.7-60.10000113.5
339E35.1Very low36.8Very low185 Ų185129.7 Ų129.786%0.86477%0.767SS**  -165.6154.7115.8-94-149.2120.500111.6
340T42.5Very low37.1Very low122 Ų122132.2 Ų132.275%0.74878%0.779SS**  trans-129.4151.6172.1-19.40000106.3
341P52.7Low37Very low123 Ų123130.5 Ų130.580%0.79978%0.778SS**  -155140.689.236.6-17.3000116.3
342V33.3Very low37.1Very low150 Ų150129.3 Ų129.391%0.90978%0.776SS**  trans-136.5124140.2-177.20000107.5
343G33.3Very low36.9Very low64 Ų64128.8 Ų128.866%0.6678%0.777SS**  trans-158.8115.2176.400000111.5
344F31.7Very low36.3Very low222 Ų222134.5 Ų134.597%0.97478%0.784SS**  trans-139.1148.5154.1-103.7-77.6000108.9
345H35.3Very low36.4Very low168 Ų168136.4 Ų136.478%0.77879%0.787SS**  trans-134.2123.9-149.4-164.6-116.9000110.6
346A32.5Very low37.3Very low99 Ų99135.4 Ų135.482%0.81878%0.782SS**  trans-151.974.5178.900000112.9
347N30.6Very low37.3Very low139 Ų139137.6 Ų137.674%0.74378%0.78SS**  trans18.6120.7142.3-60.9-29.3000119.8
348S37.5Very low37.6Very low108 Ų108138 Ų13876%0.75578%0.777SS**  trans-78.5175.7137.362.60000110
349P51.5Low37.7Very low101 Ų101138.6 Ų138.666%0.65678%0.78SS**  -156.8171.594.341.3-23.2000117.1
350T37.3Very low37.8Very low127 Ų127133.6 Ų133.678%0.77977%0.77SS**  trans62.1156.7153.552.70000119.4
351C32.5Very low37.6Very low108 Ų108135.7 Ų135.773%0.7377%0.772SS**  cis-172.6164.5-17.3-100.80000107.7
352I35.3Very low36.8Very low140 Ų140136.3 Ų136.372%0.71878%0.777SS**  cis-167.9165-19.3-163.6169.7000108.3
353L31.7Very low37.2Very low155 Ų155137 Ų13781%0.81277%0.768SS**  trans68.1147.1178.1-99.456.6000114.9
354R34.6Very low37.5Very low235 Ų235141.4 Ų141.489%0.88778%0.775SS**  cis-153.2143.533.4-162.3179-169.7173.92.4112.4
355T35.6Very low37.9Very low128 Ų128139 Ų13979%0.78577%0.767SS**  trans-88.3177.2173.626.70000112.8
356P53.5Low38.3Very low114 Ų114133.3 Ų133.374%0.7475%0.754SS**  cis-129.2-172.9-14.537.9-20.7000113.4
357H33.3Very low39Very low158 Ų158139.7 Ų139.773%0.73176%0.759SS**  155.9133.1117.9-164-108000113.3
358L42.1Very low39.6Very low131 Ų131142.5 Ų142.569%0.68677%0.765SS**  trans37.4105.4170.9-97.956.7000119.9
359V39.1Very low39.7Very low133 Ų133144.7 Ų144.781%0.80677%0.768SS**  trans-73.9124.6139177.80000107.1E361V359-E361 HydrophobicContact CG1-CG 4.15Å
360A38.2Very low39.4Very low80 Ų80147.9 Ų147.966%0.66178%0.78SS**  trans-111.5103.2168.300000108.1C362A360-C362 PolarHBondContact O-N 3.36Å
361E38.1Very low39.7Very low167 Ų167146.2 Ų146.278%0.7878%0.779SS**  trans-72.5122.4172.3-63-160.1130.400109.4V359 F363V359-E361 HydrophobicContact CG1-CG 4.15Å; E361-F363 PolarHBondContact O-N 3.12Å
362C36.5Very low40Very low135 Ų135148.9 Ų148.991%0.91279%0.785SS**  trans-76.762.2173.2-72.20000111.3A360 I364A360-C362 PolarHBondContact O-N 3.36Å; C362-I364 PolarHBondContact O-N 3.41Å
363F40.7Very low40.6Very low165 Ų165152.7 Ų152.772%0.72480%0.797SS**  trans-89.275173.8-149.4-75.8000110.4E361 E365E361-F363 PolarHBondContact O-N 3.12Å; F363-E365 HydrophobicContact CE1-CB 4.25Å
364I39.1Very low41.2Very low157 Ų157152.7 Ų152.781%0.80582%0.818SS**  trans-118.776.6165.3-59-68000107.8C362C362-I364 PolarHBondContact O-N 3.41Å
365E41.4Very low41.6Very low170 Ų170148.6 Ų148.679%0.79482%0.815SS**  trans-76140.9154.6-101.5-80.1108.500108.6F363F363-E365 HydrophobicContact CE1-CB 4.25Å
366G43.8Very low41.9Very low50 Ų50149.6 Ų149.652%0.51582%0.817SS.*  trans103.3145.5169.100000116.7
367Y46Very low41.2Very low232 Ų232151.6 Ų151.691%0.9182%0.821SS**  trans61.478173.7-66.7-81.8000118
368F42.9Very low41.7Very low199 Ų199151.2 Ų151.287%0.87383%0.826SS**SBend-157.1139.8118.4-130.8-91.5000112.6
369N40.5Very low41.7Very low154 Ų154152.5 Ų152.582%0.82484%0.835SS**  trans10264.5-179.3-60.7-72000116.9
370D45.3Very low41.9Very low168 Ų168153.8 Ų153.890%0.89884%0.837SS**  trans-140.172.8152.6-159.7-16.9000109.6
371A43.8Very low42.1Very low92 Ų92159.1 Ų159.176%0.7685%0.849SS**  trans-172.377.9174.800000112.5
372L39.1Very low42.4Very low163 Ų163158.5 Ų158.585%0.85386%0.855SS**  -166.898125.5-14870.3000111.9
373F47.3Very low42.9Very low221 Ų221160.4 Ų160.497%0.96985%0.85SS**  trans-13088.5155.2-160.6-74000107.3
374A45Very low43.1Very low154 Ų154160 Ų160100%1.27386%0.861SS**  trans-157.60178.800000108.8

Retrieved 374 of 374 residues in 44.6 ms (Link to these results)