A0A096NPY5_PAPAN Loading...

Pyridoxal phosphate homeostasis protein

Pyridoxal 5'-phosphate (PLP)-binding protein, which may be involved in intracellular homeostatic regulation of pyridoxal 5'-phosphate (PLP), the active form of vitamin B6.

AlphaFold DB , UniProt , Accession A0A096NPY5, Species PAPAN (Papio anubis, Olive baboon), Gene PLPBP, Length 275 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
1M33.3Very low41.5Very low239 Ų239137.7 Ų137.7100%1.17774%0.741SS**  082.70-159.6-176.6-7600107.3
2W27.8Very low45.3Very low263 Ų263129 Ų129100%0.99671%0.707SS**  trans-81.6124.1-175.5-82.7-32.2000110.2A4W2-A4 PolarHBondContact O-N 2.84Å
3R33.6Very low49.1Very low229 Ų229119.3 Ų119.386%0.86465%0.654SS**  trans-70.8106.9172.9-71.8-176.9175.3-167.1-0.9108.5G5 S6R3-G5 PolarHBondContact O-N 2.73Å; R3-S6 PolarHBondContact O-N 3.2Å
4A43.5Very low52.3Low96 Ų96111 Ų11179%0.79361%0.61SS**THydrogen-bonded Turntrans-61.1-5.7173.200000114.2W2W2-A4 PolarHBondContact O-N 2.84Å
5G37.5Very low55.1Low68 Ų68106.1 Ų106.170%0.70159%0.586SS**THydrogen-bonded Turntrans-77.6-15.7178.600000115.6R3R3-G5 PolarHBondContact O-N 2.73Å
6S39.7Very low57.6Low82 Ų8299.9 Ų99.957%0.57355%0.553SS**SBendtrans-89.5-23.6-172.4-165.80000114.8R3R3-S6 PolarHBondContact O-N 3.2Å
7M38.4Very low59.9Low131 Ų13194.2 Ų94.265%0.64552%0.521SS*.G310 helixtrans-78.6-21.6-174.8-75.5-17174.300114A9 L11M7-A9 VanDerWaalsContact C-N 3.3Å; M7-A9 PolarHBondContact O-N 3.1Å; M7-L11 HydrophobicContact CE-CD1 4.22Å; M7-L11 WeakPolarHBondContact O-CD1 3.33Å
8S44.3Very low61.9Low53 Ų5396 Ų9637%0.37152%0.519SS..G310 helixtrans-71.3-22.7179.4-89.70000113.7
9A45.4Very low63.7Low89 Ų8993.2 Ų93.274%0.73651%0.51SS*.G310 helixtrans-75.7-25.618000000112.8M7M7-A9 VanDerWaalsContact C-N 3.3Å; M7-A9 PolarHBondContact O-N 3.1Å
10E49.6Very low65.4Low170 Ų17088.5 Ų88.579%0.79449%0.485SS*.THydrogen-bonded Turntrans-93.7-17.8-175.1-71.2-178.5163.400114
11L63.4Low66.9Low95 Ų9587.1 Ų87.150%0.49748%0.477SS..SBendtrans-100.51.7-169.5-71.4164.8000115.2M7 C15M7-L11 HydrophobicContact CE-CD1 4.22Å; M7-L11 WeakPolarHBondContact O-CD1 3.33Å; L11-C15 HydrophobicContact CB-CB 3.74Å; L11-C15 WeakPolarHBondContact O-CB 3.4Å
12G87.2Confident70Confident33 Ų3381.2 Ų81.234%0.3445%0.446SS..Hα-helixtrans73.2164.6178.200000114.6G14 C15 A16G12-G14 VanDerWaalsContact C-N 3.26Å; G12-G14 PolarHBondContact O-N 3.33Å; G12-C15 PolarHBondContact O-N 2.94Å; G12-A16 PolarHBondContact O-N 3.04Å
13V94Very high73.3Confident3 Ų372.3 Ų72.32%0.01841%0.412CS..Hα-helixtrans-62.9-36.4-176.5178.40000110.7C15 A16 L17 M53 E56 A57 I246 F247V13-C15 PolarHBondContact O-N 3.47Å; V13-A16 PolarHBondContact O-N 3.14Å; V13-L17 VanDerWaalsContact O-CB 3.28Å; V13-L17 WeakPolarHBondContact O-CB 3.49Å; V13-L17 PolarHBondContact O-N 3.48Å; V13-M53 HydrophobicContact CG2-CB 4.32Å; V13-M53 HydrophobicContact CG2-CE 3.67Å; V13-M53 HydrophobicContact CG2-CG 4.14Å; V13-E56 HydrophobicContact CB-CB 4.47Å; V13-E56 VanDerWaalsContact CB-CD 3.49Å; V13-E56 HydrophobicContact CB-CG 4.09Å; V13-E56 WeakPolarHBondContact CB-OE1 3.4Å; V13-E56 WeakPolarHBondContact CG2-OE2 3.31Å; V13-E56 PolarHBondContact N-OE1 2.98Å; V13-A57 HydrophobicContact CG1-CB 3.75Å; V13-I246 HydrophobicContact CG1-CG2 3.95Å; V13-F247 HydrophobicContact CG1-CD1 4Å; V13-F247 HydrophobicContact CG1-CE1 3.82Å; V13-F247 HydrophobicContact CG2-CD1 4.16Å
14G93.8Very high76.4Confident3 Ų361.5 Ų61.53%0.03137%0.372CS..Hα-helixtrans-59.9-43.1178.200000114.6G12 R18 E56 H60G12-G14 VanDerWaalsContact C-N 3.26Å; G12-G14 PolarHBondContact O-N 3.33Å; G14-R18 WeakPolarHBondContact O-CG 3.44Å; G14-R18 PolarHBondContact O-N 3.46Å; G14-R18 VanDerWaalsContact O-N 3.15Å; G14-R18 PolarHBondContact O-NH1 3.16Å; G14-E56 PolarHBondContact N-OE1 3.41Å; G14-H60 WeakPolarHBondContact CA-CD2 3.39Å; G14-H60 WeakPolarHBondContact CA-NE2 3.31Å
15C94.4Very high78.9Confident37 Ų3761.4 Ų61.425%0.2536%0.355CS..Hα-helixtrans-70.5-42.7178.4-169.60000111.4L11 G12 V13 L17 R18 A19L11-C15 HydrophobicContact CB-CB 3.74Å; L11-C15 WeakPolarHBondContact O-CB 3.4Å; G12-C15 PolarHBondContact O-N 2.94Å; V13-C15 PolarHBondContact O-N 3.47Å; C15-L17 VanDerWaalsContact C-N 3.32Å; C15-L17 PolarHBondContact O-N 2.88Å; C15-R18 PolarHBondContact O-N 3.07Å; C15-A19 PolarHBondContact O-N 3.13Å
16A95.8Very high81.7Confident8 Ų863.2 Ų63.27%0.06635%0.345CS..Hα-helixtrans-59.9-42.9176.800000111.7G12 V13 A19 V20 I246G12-A16 PolarHBondContact O-N 3.04Å; V13-A16 PolarHBondContact O-N 3.14Å; A16-A19 PolarHBondContact O-N 3.4Å; A16-V20 WeakPolarHBondContact O-CG2 3.18Å; A16-V20 PolarHBondContact O-N 2.72Å; A16-I246 WeakPolarHBondContact CB-O 3.3Å
17L96.6Very high84.5Confident2 Ų259.3 Ų59.31%0.0132%0.318CS..Hα-helixtrans-63.5-43.1177.2-176.165.8000112.4V13 C15 V20 N21 L42 H60 Q62 I246V13-L17 VanDerWaalsContact O-CB 3.28Å; V13-L17 WeakPolarHBondContact O-CB 3.49Å; V13-L17 PolarHBondContact O-N 3.48Å; C15-L17 VanDerWaalsContact C-N 3.32Å; C15-L17 PolarHBondContact O-N 2.88Å; L17-V20 PolarHBondContact O-N 3.46Å; L17-N21 PolarHBondContact O-N 3.35Å; L17-N21 PolarHBondContact O-ND2 2.98Å; L17-N21 VanDerWaalsContact O-ND2 3.15Å; L17-L42 HydrophobicContact CD1-CD2 3.78Å; L17-H60 HydrophobicContact CD2-CB 3.87Å; L17-Q62 HydrophobicContact CD2-CB 3.8Å; L17-I246 HydrophobicContact CD1-CD1 4.03Å; L17-I246 HydrophobicContact CD1-CG1 4.49Å; L17-I246 HydrophobicContact CD1-CG2 4.47Å
18R96.4Very high87.2Confident127 Ų12754.9 Ų54.948%0.47930%0.298SS..Hα-helixtrans-60.1-48175.1-75.3-169.2-60.7-88.62.8111.7G14 C15 V20 N21 E22G14-R18 WeakPolarHBondContact O-CG 3.44Å; G14-R18 PolarHBondContact O-N 3.46Å; G14-R18 VanDerWaalsContact O-N 3.15Å; G14-R18 PolarHBondContact O-NH1 3.16Å; C15-R18 PolarHBondContact O-N 3.07Å; R18-V20 VanDerWaalsContact C-N 3.29Å; R18-V20 PolarHBondContact O-N 3.47Å; R18-N21 PolarHBondContact O-N 3.12Å; R18-N21 VanDerWaalsContact O-N 3.14Å; R18-E22 WeakPolarHBondContact O-CG 3.2Å; R18-E22 PolarHBondContact O-N 3.43Å
19A96.4Very high89.7Confident42 Ų4256.5 Ų56.535%0.34732%0.315SS..Hα-helixtrans-60.9-37.9178.200000112.4C15 A16 R23C15-A19 PolarHBondContact O-N 3.13Å; A16-A19 PolarHBondContact O-N 3.4Å; A19-R23 VanDerWaalsContact O-CG 3.31Å; A19-R23 WeakPolarHBondContact O-CG 3.25Å; A19-R23 PolarHBondContact O-N 2.91Å; A19-R23 VanDerWaalsContact O-N 3.16Å
20V97.3Very high92Very high0 Ų058.4 Ų58.40%030%0.303CS..Hα-helixtrans-65.5-46.1174169.50000111.2A16 L17 R18 E22 R23 V24 L42 I242 T245 I246A16-V20 WeakPolarHBondContact O-CG2 3.18Å; A16-V20 PolarHBondContact O-N 2.72Å; L17-V20 PolarHBondContact O-N 3.46Å; R18-V20 VanDerWaalsContact C-N 3.29Å; R18-V20 PolarHBondContact O-N 3.47Å; V20-E22 VanDerWaalsContact C-N 3.33Å; V20-E22 PolarHBondContact O-N 3.13Å; V20-R23 PolarHBondContact O-N 2.89Å; V20-V24 HydrophobicContact CG1-CG2 4.41Å; V20-V24 WeakPolarHBondContact O-CG2 3.34Å; V20-V24 PolarHBondContact O-N 3.16Å; V20-L42 HydrophobicContact CG1-CD1 3.86Å; V20-L42 HydrophobicContact CG1-CD2 3.81Å; V20-I242 HydrophobicContact CG1-CD1 3.54Å; V20-I242 HydrophobicContact CG1-CG2 4.32Å; V20-I242 HydrophobicContact CG2-CG2 4.32Å; V20-T245 HydrophobicContact CG2-CG2 3.52Å; V20-I246 HydrophobicContact CB-CG1 4.39Å; V20-I246 HydrophobicContact CG1-CD1 4.46Å; V20-I246 HydrophobicContact CG2-CG1 3.9Å
21N97.3Very high94.2Very high60 Ų6051.6 Ų51.632%0.32127%0.27SS..Hα-helixtrans-60.7-41.3177.9-81.1-47.7000112.2L17 R18 R23 V24 Q25 L42L17-N21 PolarHBondContact O-N 3.35Å; L17-N21 PolarHBondContact O-ND2 2.98Å; L17-N21 VanDerWaalsContact O-ND2 3.15Å; R18-N21 PolarHBondContact O-N 3.12Å; R18-N21 VanDerWaalsContact O-N 3.14Å; N21-R23 PolarHBondContact O-N 3.28Å; N21-V24 WeakPolarHBondContact O-CB 3.39Å; N21-V24 PolarHBondContact O-N 3.21Å; N21-Q25 WeakPolarHBondContact O-CG 3.41Å; N21-Q25 PolarHBondContact O-N 2.76Å; N21-L42 WeakPolarHBondContact OD1-CD2 3.15Å
22E97.3Very high95.5Very high115 Ų11549.9 Ų49.954%0.53726%0.264SS..Hα-helixtrans-59-45.4174.1-73.5169.9-172.200111.9R18 V20 V24 Q25 Q26R18-E22 WeakPolarHBondContact O-CG 3.2Å; R18-E22 PolarHBondContact O-N 3.43Å; V20-E22 VanDerWaalsContact C-N 3.33Å; V20-E22 PolarHBondContact O-N 3.13Å; E22-V24 VanDerWaalsContact C-N 3.33Å; E22-V24 PolarHBondContact O-N 3.29Å; E22-Q25 PolarHBondContact O-N 3.39Å; E22-Q26 WeakPolarHBondContact O-CG 3.27Å; E22-Q26 PolarHBondContact O-N 2.95Å
23R97.6Very high95.7Very high75 Ų7560.4 Ų60.428%0.28329%0.294SS..Hα-helixtrans-65.8-35.1176.8-69.7169.864.6-167.6-0.9112.6A19 V20 N21 A27 F229 Q230A19-R23 VanDerWaalsContact O-CG 3.31Å; A19-R23 WeakPolarHBondContact O-CG 3.25Å; A19-R23 PolarHBondContact O-N 2.91Å; A19-R23 VanDerWaalsContact O-N 3.16Å; V20-R23 PolarHBondContact O-N 2.89Å; N21-R23 PolarHBondContact O-N 3.28Å; R23-A27 WeakPolarHBondContact O-CB 3.31Å; R23-A27 PolarHBondContact O-N 2.84Å; R23-F229 HydrophobicContact CB-CE2 3.98Å; R23-F229 HydrophobicContact CB-CZ 3.71Å; R23-Q230 VanDerWaalsContact NH2-NE2 3.1Å
24V97.8Very high95.4Very high2 Ų266.9 Ų66.91%0.01233%0.328CS..Hα-helixtrans-61.4-48.3171.71670000109.7V20 N21 E22 Q26 A27 V28 F229 I233 V240V20-V24 HydrophobicContact CG1-CG2 4.41Å; V20-V24 WeakPolarHBondContact O-CG2 3.34Å; V20-V24 PolarHBondContact O-N 3.16Å; N21-V24 WeakPolarHBondContact O-CB 3.39Å; N21-V24 PolarHBondContact O-N 3.21Å; E22-V24 VanDerWaalsContact C-N 3.33Å; E22-V24 PolarHBondContact O-N 3.29Å; V24-Q26 PolarHBondContact O-N 3.49Å; V24-A27 PolarHBondContact O-N 3.15Å; V24-V28 HydrophobicContact CG1-CG2 4.5Å; V24-V28 WeakPolarHBondContact O-CG2 3.33Å; V24-V28 PolarHBondContact O-N 3.25Å; V24-F229 HydrophobicContact CG2-CD2 4.07Å; V24-F229 HydrophobicContact CG2-CE2 3.81Å; V24-I233 HydrophobicContact CB-CD1 4.23Å; V24-I233 HydrophobicContact CG1-CD1 3.97Å; V24-I233 HydrophobicContact CG2-CD1 4.05Å; V24-V240 HydrophobicContact CG2-CG2 4.34Å
25Q96.9Very high95.1Very high94 Ų9468.3 Ų68.344%0.43934%0.335SS..Hα-helixtrans-62.7-40.7178.8-67.3-57.4-38.400112.5N21 E22 A27 V28 A29N21-Q25 WeakPolarHBondContact O-CG 3.41Å; N21-Q25 PolarHBondContact O-N 2.76Å; E22-Q25 PolarHBondContact O-N 3.39Å; Q25-A27 VanDerWaalsContact C-N 3.33Å; Q25-A27 PolarHBondContact O-N 2.91Å; Q25-V28 PolarHBondContact O-N 3.41Å; Q25-A29 PolarHBondContact O-N 3.41Å
26Q97Very high94.6Very high107 Ų10768.3 Ų68.350%0.534%0.335SS..Hα-helixtrans-62.8-38.1174.1-71.1169.75.700112.6E22 V24 R30E22-Q26 WeakPolarHBondContact O-CG 3.27Å; E22-Q26 PolarHBondContact O-N 2.95Å; V24-Q26 PolarHBondContact O-N 3.49Å; Q26-R30 WeakPolarHBondContact O-CG 3.25Å; Q26-R30 PolarHBondContact O-N 3.39Å; Q26-R30 PolarHBondContact O-NE 2.92Å
27A96.6Very high94.1Very high0 Ų073.1 Ų73.10%038%0.375CS..Hα-helixtrans-69.2-39.3174.900000111.9R23 V24 Q25 A29 R30 R31 Q230 I233R23-A27 WeakPolarHBondContact O-CB 3.31Å; R23-A27 PolarHBondContact O-N 2.84Å; V24-A27 PolarHBondContact O-N 3.15Å; Q25-A27 VanDerWaalsContact C-N 3.33Å; Q25-A27 PolarHBondContact O-N 2.91Å; A27-A29 VanDerWaalsContact C-N 3.32Å; A27-A29 PolarHBondContact O-N 2.97Å; A27-R30 PolarHBondContact O-N 3.02Å; A27-R30 VanDerWaalsContact O-N 3.12Å; A27-R31 PolarHBondContact O-N 3.41Å; A27-Q230 HydrophobicContact CB-CB 4.06Å; A27-Q230 HydrophobicContact CB-CG 4.24Å; A27-I233 HydrophobicContact CB-CB 3.8Å; A27-I233 HydrophobicContact CB-CD1 3.97Å; A27-I233 HydrophobicContact CB-CG2 3.67Å
28V96.6Very high93.7Very high38 Ų3875.2 Ų75.223%0.2339%0.385CS..Hα-helixtrans-59.6-43.5173.9171.90000111.1V24 Q25 R30 R31 P40 I233V24-V28 HydrophobicContact CG1-CG2 4.5Å; V24-V28 WeakPolarHBondContact O-CG2 3.33Å; V24-V28 PolarHBondContact O-N 3.25Å; Q25-V28 PolarHBondContact O-N 3.41Å; V28-R30 PolarHBondContact O-N 3.18Å; V28-R31 VanDerWaalsContact O-CB 3.25Å; V28-R31 WeakPolarHBondContact O-CB 3.2Å; V28-R31 PolarHBondContact O-N 2.91Å; V28-R31 VanDerWaalsContact O-N 3.08Å; V28-P40 HydrophobicContact CG2-CG 3.7Å; V28-I233 HydrophobicContact CG2-CG2 3.87Å
29A95.5Very high93.5Very high87 Ų8774 Ų7472%0.71939%0.385SS*.Hα-helixtrans-63.6-24.1177.600000113.6Q25 A27Q25-A29 PolarHBondContact O-N 3.41Å; A27-A29 VanDerWaalsContact C-N 3.32Å; A27-A29 PolarHBondContact O-N 2.97Å
30R95.1Very high93.5Very high128 Ų12872.3 Ų72.348%0.48337%0.371SS..Hα-helixtrans-90-7.5176.1-71.8-178.9-72172.3-0.4113.6Q26 A27 V28 E234Q26-R30 WeakPolarHBondContact O-CG 3.25Å; Q26-R30 PolarHBondContact O-N 3.39Å; Q26-R30 PolarHBondContact O-NE 2.92Å; A27-R30 PolarHBondContact O-N 3.02Å; A27-R30 VanDerWaalsContact O-N 3.12Å; V28-R30 PolarHBondContact O-N 3.18Å; R30-E234 HydrophobicContact CB-CG 3.98Å; R30-E234 IonicContact CZ-OE1 3.72Å; R30-E234 IonicContact NE-OE1 2.67Å; R30-E234 PolarHBondContact NE-OE1 3.34Å; R30-E234 VanDerWaalsContact NE-OE1 3.15Å; R30-E234 IonicContact NH1-OE1 3.18Å; R30-E234 PolarHBondContact NH1-OE1 2.9Å; R30-E234 IonicContact NH2-OE1 2.7Å; R30-E234 PolarHBondContact NH2-OE1 3.27Å
31R94.4Very high93.5Very high27 Ų2775.4 Ų75.410%0.10238%0.382CS..SBendtrans-60.3130178.9179.9176.1-72.8173.43.9110.4A27 V28 L35 P36 I38 I233 S237A27-R31 PolarHBondContact O-N 3.41Å; V28-R31 VanDerWaalsContact O-CB 3.25Å; V28-R31 WeakPolarHBondContact O-CB 3.2Å; V28-R31 PolarHBondContact O-N 2.91Å; V28-R31 VanDerWaalsContact O-N 3.08Å; R31-L35 HydrophobicContact CG-CB 4.07Å; R31-L35 HydrophobicContact CG-CD1 4.18Å; R31-P36 PolarHBondContact NH1-O 3.27Å; R31-P36 VanDerWaalsContact NH1-O 3.13Å; R31-I38 PolarHBondContact NH1-O 3.18Å; R31-I233 PolarHBondContact NE-O 3.06Å; R31-I233 PolarHBondContact NH2-O 3.36Å; R31-S237 PolarHBondContact NH2-O 3.44Å
32P92.3Very high93.6Very high59 Ų5973.1 Ų73.138%0.38337%0.37SS..  trans-55.7143.4172.4-2736.9000112.9D34 L35 E234P32-D34 VanDerWaalsContact C-N 3.26Å; P32-D34 WeakPolarHBondContact CB-OD1 3.27Å; P32-D34 PolarHBondContact O-N 2.84Å; P32-L35 PolarHBondContact O-N 2.72Å; P32-E234 WeakPolarHBondContact CD-O 3.34Å
33R90.1Very high93.7Very high255 Ų25567.6 Ų67.696%0.96234%0.344SS*.THydrogen-bonded Turntrans-72.3-17.3-173.7-66.3-175.9-178.3-1791114.2L35R33-L35 VanDerWaalsContact C-N 3.29Å
34D88.3Confident93.7Very high138 Ų13864 Ų6474%0.73833%0.331SS*.THydrogen-bonded Turntrans-76.6-16.3175.157.5-51.3000112.6P32P32-D34 VanDerWaalsContact C-N 3.26Å; P32-D34 WeakPolarHBondContact CB-OD1 3.27Å; P32-D34 PolarHBondContact O-N 2.84Å
35L86.7Confident93.7Very high34 Ų3464.6 Ų64.618%0.17833%0.334CS..SBendtrans-86.3150.2171.9-64.8-179.6000111.6R31 P32 R33 A37 E234R31-L35 HydrophobicContact CG-CB 4.07Å; R31-L35 HydrophobicContact CG-CD1 4.18Å; P32-L35 PolarHBondContact O-N 2.72Å; R33-L35 VanDerWaalsContact C-N 3.29Å; L35-A37 PolarHBondContact O-N 3.29Å; L35-E234 WeakPolarHBondContact CD1-O 3.48Å
36P84.3Confident93.8Very high36 Ų3660.1 Ų60.123%0.23431%0.313CS..  trans-53.1131.2175.1-28.435.7000113.2R31 I38 D217R31-P36 PolarHBondContact NH1-O 3.27Å; R31-P36 VanDerWaalsContact NH1-O 3.13Å; P36-I38 HydrophobicContact CB-CD1 3.71Å; P36-I38 HydrophobicContact CB-CG1 3.86Å; P36-I38 PolarHBondContact O-N 3.33Å; P36-D217 HydrophobicContact CB-CB 4.23Å
37A85.9Confident93.7Very high110 Ų11057.1 Ų57.191%0.90930%0.298SS*.  trans-76.164.2178.100000111.6L35L35-A37 PolarHBondContact O-N 3.29Å
38I87.7Confident93.6Very high46 Ų4658.9 Ų58.924%0.23631%0.309CS..PPolyproline II helixtrans-103124.5-178.4-59.2171.5000109.3R31 P36 P40 D217 T238R31-I38 PolarHBondContact NH1-O 3.18Å; P36-I38 HydrophobicContact CB-CD1 3.71Å; P36-I38 HydrophobicContact CB-CG1 3.86Å; P36-I38 PolarHBondContact O-N 3.33Å; I38-P40 WeakPolarHBondContact O-CD 3.17Å; I38-D217 HydrophobicContact CD1-CB 4.19Å; I38-T238 HydrophobicContact CB-CG2 4.33Å; I38-T238 HydrophobicContact CD1-CG2 3.98Å; I38-T238 HydrophobicContact CG2-CG2 4.01Å
39Q93.1Very high93.6Very high102 Ų10258.1 Ų58.148%0.47730%0.303SS..PPolyproline II helixtrans-64.2116.1169.6175.357.961.100109.4
40P96Very high93.6Very high6 Ų657.5 Ų57.54%0.03929%0.291CS..PPolyproline II helixtrans-64.8139.9179.1-20.833.6000111.2V28 I38 I233 T238V28-P40 HydrophobicContact CG2-CG 3.7Å; I38-P40 WeakPolarHBondContact O-CD 3.17Å; P40-I233 HydrophobicContact CB-CD1 4.39Å; P40-I233 HydrophobicContact CB-CG1 4.14Å; P40-I233 HydrophobicContact CG-CB 4.46Å; P40-I233 HydrophobicContact CG-CD1 4.27Å; P40-I233 HydrophobicContact CG-CG1 3.89Å; P40-I233 HydrophobicContact CG-CG2 3.88Å; P40-T238 CarbonylContact C-O 3.54Å; P40-T238 WeakPolarHBondContact CA-O 3.25Å
41R97.9Very high93.7Very high64 Ų6452.2 Ų52.224%0.24228%0.275CS..EExtended strand (participates in β ladder)trans-78.5122.2169.9-170.8178.1-54.41213.3109.4V43 T64 E220 T238 N239 V240R41-V43 HydrophobicContact CG-CG2 4.42Å; R41-V43 PolarHBondContact O-N 2.92Å; R41-T64 HydrophobicContact CG-CG2 4.18Å; R41-E220 IonicContact CZ-OE1 3.83Å; R41-E220 IonicContact CZ-OE2 3.94Å; R41-E220 IonicContact NH1-OE1 2.68Å; R41-E220 PolarHBondContact NH1-OE1 2.98Å; R41-E220 IonicContact NH1-OE2 2.88Å; R41-E220 PolarHBondContact NH1-OE2 2.95Å; R41-E220 IonicContact NH2-OE1 3.52Å; R41-E220 PolarHBondContact NH2-OE1 2.89Å; R41-E220 IonicContact NH2-OE2 3.52Å; R41-E220 PolarHBondContact NH2-OE2 3.13Å; R41-T238 PolarHBondContact N-O 3.16Å; R41-N239 WeakPolarHBondContact CD-OD1 3.48Å; R41-N239 PolarHBondContact NH1-ND2 2.74Å; R41-N239 PolarHBondContact NH1-OD1 3.47Å; R41-N239 WeakPolarHBondContact O-CA 3.47Å; R41-V240 PolarHBondContact O-N 3.05Å
42L98.5Very high93.8Very high12 Ų1255.4 Ų55.46%0.06329%0.294CS..EExtended strand (participates in β ladder)trans-80.1113.2167176.659.1000109.1L17 V20 N21 Q62 V240 I242 I246L17-L42 HydrophobicContact CD1-CD2 3.78Å; V20-L42 HydrophobicContact CG1-CD1 3.86Å; V20-L42 HydrophobicContact CG1-CD2 3.81Å; N21-L42 WeakPolarHBondContact OD1-CD2 3.15Å; L42-Q62 PolarHBondContact O-NE2 2.9Å; L42-V240 HydrophobicContact CD1-CG2 4.18Å; L42-I242 HydrophobicContact CD1-CB 3.96Å; L42-I242 HydrophobicContact CD1-CD1 3.58Å; L42-I242 HydrophobicContact CD1-CG1 3.87Å; L42-I246 HydrophobicContact CD1-CD1 4.37Å; L42-I246 HydrophobicContact CD2-CD1 4.36Å
43V98.7Very high94.1Very high0 Ų055 Ų550%029%0.288CS..EExtended strand (participates in β ladder)trans-95.5104.9171.6-176.30000107.9R41 V45 T64 H92 V240 R241 I242R41-V43 HydrophobicContact CG-CG2 4.42Å; R41-V43 PolarHBondContact O-N 2.92Å; V43-V45 PolarHBondContact O-N 3.32Å; V43-T64 HydrophobicContact CB-CG2 4.39Å; V43-T64 HydrophobicContact CG1-CG2 4.32Å; V43-T64 HydrophobicContact CG2-CG2 3.95Å; V43-H92 HydrophobicContact CG1-CB 4.23Å; V43-V240 PolarHBondContact N-O 3.3Å; V43-R241 HydrophobicContact CB-CG 4.21Å; V43-R241 WeakPolarHBondContact O-CA 3.19Å; V43-I242 PolarHBondContact O-N 3.21Å
44A98.6Very high94.5Very high0 Ų042.8 Ų42.80%024%0.242CC..EExtended strand (participates in β ladder)trans-76.5109.3179.300000109.9S46 Q62 T64 F65 G66 I246 F247A44-S46 PolarHBondContact O-N 3.2Å; A44-Q62 HydrophobicContact CB-CG 3.74Å; A44-T64 PolarHBondContact N-O 2.68Å; A44-F65 HydrophobicContact CB-CD1 3.99Å; A44-F65 HydrophobicContact CB-CE1 4.2Å; A44-F65 CarbonylContact O-C 3.59Å; A44-F65 VanDerWaalsContact O-CA 3.29Å; A44-F65 WeakPolarHBondContact O-CA 3.49Å; A44-G66 PolarHBondContact O-N 3.44Å; A44-I246 HydrophobicContact CB-CD1 3.96Å; A44-F247 HydrophobicContact CB-CE2 4.04Å; A44-F247 HydrophobicContact CB-CZ 4.13Å
45V98.3Very high94.9Very high13 Ų1337.8 Ų37.88%0.07922%0.215CC..EExtended strand (participates in β ladder)trans-84.4100-174.1-1780000110V43 K47 G66 I94 R241 I242 G243 F247V43-V45 PolarHBondContact O-N 3.32Å; V45-K47 HydrophobicContact CG1-CB 4.49Å; V45-K47 HydrophobicContact CG1-CD 4Å; V45-K47 HydrophobicContact CG1-CG 4.01Å; V45-G66 WeakPolarHBondContact CA-O 3.36Å; V45-I94 HydrophobicContact CB-CD1 4.46Å; V45-I94 HydrophobicContact CG1-CD1 4.02Å; V45-I94 HydrophobicContact CG2-CD1 3.65Å; V45-R241 HydrophobicContact CG2-CB 3.81Å; V45-I242 PolarHBondContact N-O 3.43Å; V45-G243 WeakPolarHBondContact O-CA 3.24Å; V45-F247 WeakPolarHBondContact O-CD2 3.42Å
46S97.5Very high95.5Very high0 Ų039.8 Ų39.80%022%0.223CC..  trans-96.49.1-17447.70000114.5A44 T48 K49 G66 E67 K76A44-S46 PolarHBondContact O-N 3.2Å; S46-T48 PolarHBondContact O-N 3.39Å; S46-K49 WeakPolarHBondContact O-CB 3.3Å; S46-K49 WeakPolarHBondContact O-CG 3.37Å; S46-K49 PolarHBondContact O-N 3.47Å; S46-G66 PolarHBondContact N-O 3.49Å; S46-G66 VanDerWaalsContact N-O 3.13Å; S46-E67 VanDerWaalsContact C-OE1 3.24Å; S46-E67 WeakPolarHBondContact CB-OE1 3.14Å; S46-E67 PolarHBondContact OG-OE1 3.37Å; S46-K76 PolarHBondContact O-NZ 3.36Å
47K96.1Very high96.1Very high44 Ų4438.1 Ų38.119%0.19121%0.212CC..THydrogen-bonded Turntrans-51140175.876.6-171.5175.9-169.50112.1V45 K49 E67 N68V45-K47 HydrophobicContact CG1-CB 4.49Å; V45-K47 HydrophobicContact CG1-CD 4Å; V45-K47 HydrophobicContact CG1-CG 4.01Å; K47-K49 PolarHBondContact O-N 3.16Å; K47-E67 WeakPolarHBondContact CA-OE2 3.19Å; K47-E67 PolarHBondContact N-OE2 3.39Å; K47-N68 HydrophobicContact CB-CB 4.38Å; K47-N68 HydrophobicContact CD-CB 3.82Å; K47-N68 WeakPolarHBondContact CD-OD1 3.23Å; K47-N68 PolarHBondContact NZ-ND2 2.71Å
48T95Very high96.7Very high38 Ų3833.8 Ų33.823%0.23317%0.172CC..THydrogen-bonded Turntrans59.115.7-174.6820000115S46 Y69 E72S46-T48 PolarHBondContact O-N 3.39Å; T48-Y69 HydrophobicContact CG2-CE2 4.42Å; T48-E72 VanDerWaalsContact CA-OE1 3.31Å; T48-E72 WeakPolarHBondContact CA-OE1 3.19Å; T48-E72 PolarHBondContact N-OE1 3.42Å; T48-E72 PolarHBondContact N-OE2 3.1Å
49K96.3Very high97.2Very high22 Ų2234.7 Ų34.710%0.09619%0.193CC..  trans-109144.5177.4-54.7-64.4178.3161.80111.3S46 K47 M53 K76 F247 G248 E249S46-K49 WeakPolarHBondContact O-CB 3.3Å; S46-K49 WeakPolarHBondContact O-CG 3.37Å; S46-K49 PolarHBondContact O-N 3.47Å; K47-K49 PolarHBondContact O-N 3.16Å; K49-M53 HydrophobicContact CB-SD 4.2Å; K49-M53 HydrophobicContact CD-SD 4.02Å; K49-M53 HydrophobicContact CG-SD 4.48Å; K49-K76 WeakPolarHBondContact O-CE 3.43Å; K49-K76 PolarHBondContact O-NZ 2.89Å; K49-F247 HydrophobicContact CD-CB 3.8Å; K49-F247 WeakPolarHBondContact CE-O 3.48Å; K49-F247 HydrophobicContact CG-CB 3.75Å; K49-F247 HydrophobicContact CG-CD2 4.49Å; K49-F247 HydrophobicContact CG-CG 4.06Å; K49-F247 PolarHBondContact NZ-O 3.5Å; K49-G248 PolarHBondContact NZ-O 3.37Å; K49-E249 PolarHBondContact NZ-O 3.43Å
50P95.9Very high97.5Very high73 Ų7334.1 Ų34.147%0.47419%0.19SC..  trans-65.8155.6179.329.1-35.7000111.9D52 M53P50-D52 PolarHBondContact O-N 2.95Å; P50-M53 HydrophobicContact CG-CB 4.46Å; P50-M53 HydrophobicContact CG-CG 4Å; P50-M53 HydrophobicContact CG-SD 4.19Å; P50-M53 PolarHBondContact O-N 2.94Å; P50-M53 VanDerWaalsContact O-N 3.12Å
51A96.9Very high97.5Very high17 Ų1736.2 Ų36.214%0.1421%0.213CC..Hα-helixtrans-56.5-33.1178.100000113M53 V54 I55 I82A51-M53 VanDerWaalsContact C-N 3.28Å; A51-M53 PolarHBondContact O-N 3.22Å; A51-V54 WeakPolarHBondContact O-CB 3.5Å; A51-V54 PolarHBondContact O-N 3.12Å; A51-I55 WeakPolarHBondContact O-CG1 3.26Å; A51-I55 PolarHBondContact O-N 3.3Å; A51-I82 HydrophobicContact CB-CD1 3.76Å; A51-I82 HydrophobicContact CB-CG1 4.37Å
52D96.8Very high97.6Very high94 Ų9433.8 Ų33.850%0.50320%0.204SC..Hα-helixtrans-62-34.1179.4-64.8-30.8000112.3P50 V54 I55 E56 K81P50-D52 PolarHBondContact O-N 2.95Å; D52-V54 VanDerWaalsContact C-N 3.34Å; D52-I55 PolarHBondContact O-N 2.88Å; D52-E56 WeakPolarHBondContact O-CB 3.23Å; D52-E56 PolarHBondContact O-N 2.89Å; D52-K81 IonicContact OD1-NZ 3.47Å; D52-K81 PolarHBondContact OD1-NZ 3.16Å
53M97.3Very high97.5Very high50 Ų5036.8 Ų36.825%0.24622%0.215CC..Hα-helixtrans-70.1-31.3174.3-74.9-175.6121.600112.6V13 K49 P50 A51 A57 F247V13-M53 HydrophobicContact CG2-CB 4.32Å; V13-M53 HydrophobicContact CG2-CE 3.67Å; V13-M53 HydrophobicContact CG2-CG 4.14Å; K49-M53 HydrophobicContact CB-SD 4.2Å; K49-M53 HydrophobicContact CD-SD 4.02Å; K49-M53 HydrophobicContact CG-SD 4.48Å; P50-M53 HydrophobicContact CG-CB 4.46Å; P50-M53 HydrophobicContact CG-CG 4Å; P50-M53 HydrophobicContact CG-SD 4.19Å; P50-M53 PolarHBondContact O-N 2.94Å; P50-M53 VanDerWaalsContact O-N 3.12Å; A51-M53 VanDerWaalsContact C-N 3.28Å; A51-M53 PolarHBondContact O-N 3.22Å; M53-A57 WeakPolarHBondContact O-CB 3.27Å; M53-A57 PolarHBondContact O-N 2.8Å; M53-F247 HydrophobicContact CB-CD1 4.01Å; M53-F247 HydrophobicContact CB-CE1 4.23Å; M53-F247 HydrophobicContact SD-CD1 4.41Å
54V98.2Very high97.6Very high0 Ų037.4 Ų37.40%022%0.219CC..Hα-helixtrans-67.6-43.8173.6177.10000109.6A51 D52 A57 Y58 F65 I82 I89 W91A51-V54 WeakPolarHBondContact O-CB 3.5Å; A51-V54 PolarHBondContact O-N 3.12Å; D52-V54 VanDerWaalsContact C-N 3.34Å; V54-A57 PolarHBondContact O-N 3.45Å; V54-Y58 VanDerWaalsContact O-CB 3.31Å; V54-Y58 WeakPolarHBondContact O-CB 3.34Å; V54-Y58 PolarHBondContact O-N 2.84Å; V54-F65 HydrophobicContact CB-CE1 4.36Å; V54-F65 HydrophobicContact CG1-CD1 3.93Å; V54-F65 HydrophobicContact CG1-CE1 3.75Å; V54-F65 HydrophobicContact CG1-CE2 4.37Å; V54-F65 HydrophobicContact CG1-CG 4.31Å; V54-F65 HydrophobicContact CG1-CZ 3.96Å; V54-I82 HydrophobicContact CB-CD1 4.41Å; V54-I82 HydrophobicContact CG1-CD1 4.3Å; V54-I89 HydrophobicContact CG1-CD1 3.73Å; V54-W91 HydrophobicContact CG1-CH2 3.92Å; V54-W91 HydrophobicContact CG1-CZ2 4.45Å; V54-W91 HydrophobicContact CG2-CH2 4.44Å
55I98.3Very high97.6Very high33 Ų3337.4 Ų37.417%0.16922%0.219CC..Hα-helixtrans-62.8-43.3176.8-65.3162.2000110.6A51 D52 Y58 G59 K81 I82 L85A51-I55 WeakPolarHBondContact O-CG1 3.26Å; A51-I55 PolarHBondContact O-N 3.3Å; D52-I55 PolarHBondContact O-N 2.88Å; I55-Y58 PolarHBondContact O-N 2.94Å; I55-G59 PolarHBondContact O-N 3.38Å; I55-K81 HydrophobicContact CD1-CB 3.66Å; I55-K81 HydrophobicContact CD1-CD 4.22Å; I55-I82 HydrophobicContact CD1-CG1 4.28Å; I55-I82 HydrophobicContact CG1-CG1 4.06Å; I55-L85 HydrophobicContact CD1-CD1 4.34Å; I55-L85 HydrophobicContact CG2-CB 4.45Å; I55-L85 HydrophobicContact CG2-CD1 3.9Å
56E97.9Very high97.6Very high76 Ų7636.8 Ų36.836%0.35522%0.215SC..Hα-helixtrans-60.4-50.9175.5-171-171.4156.100111.4V13 G14 D52 Y58 G59 H60V13-E56 HydrophobicContact CB-CB 4.47Å; V13-E56 VanDerWaalsContact CB-CD 3.49Å; V13-E56 HydrophobicContact CB-CG 4.09Å; V13-E56 WeakPolarHBondContact CB-OE1 3.4Å; V13-E56 WeakPolarHBondContact CG2-OE2 3.31Å; V13-E56 PolarHBondContact N-OE1 2.98Å; G14-E56 PolarHBondContact N-OE1 3.41Å; D52-E56 WeakPolarHBondContact O-CB 3.23Å; D52-E56 PolarHBondContact O-N 2.89Å; E56-Y58 VanDerWaalsContact C-N 3.27Å; E56-Y58 PolarHBondContact O-N 3.35Å; E56-G59 PolarHBondContact O-N 3.05Å; E56-G59 VanDerWaalsContact O-N 3.16Å; E56-H60 PolarHBondContact O-CD2 3.2Å; E56-H60 VanDerWaalsContact O-CD2 3.25Å; E56-H60 PolarHBondContact O-N 3.32Å; E56-H60 VanDerWaalsContact O-N 3.16Å
57A98.2Very high97.6Very high0 Ų036.8 Ų36.80%022%0.215CC..Hα-helixtrans-57.9-40.8176.100000112.1V13 M53 V54 H60 G61 Q62 F65 F247V13-A57 HydrophobicContact CG1-CB 3.75Å; M53-A57 WeakPolarHBondContact O-CB 3.27Å; M53-A57 PolarHBondContact O-N 2.8Å; V54-A57 PolarHBondContact O-N 3.45Å; A57-H60 CarbonylContact O-C 3.54Å; A57-H60 PolarHBondContact O-N 3.12Å; A57-H60 VanDerWaalsContact O-N 3.12Å; A57-G61 PolarHBondContact O-N 3.07Å; A57-Q62 HydrophobicContact CB-CB 4.19Å; A57-Q62 VanDerWaalsContact O-CB 3.24Å; A57-Q62 WeakPolarHBondContact O-CB 3.33Å; A57-Q62 PolarHBondContact O-N 3.14Å; A57-Q62 VanDerWaalsContact O-N 3.12Å; A57-F65 HydrophobicContact CB-CE1 3.78Å; A57-F65 HydrophobicContact CB-CZ 3.92Å; A57-F247 HydrophobicContact CB-CE1 4.06Å; A57-F247 HydrophobicContact CB-CZ 4.24Å
58Y98.6Very high97.7Very high20 Ų2036.4 Ų36.48%0.07822%0.215CC..Hα-helixtrans-63.1-42.4177.1-176.1-82.7000112.1V54 I55 E56 H60 G61 Q62 R63 F65 L85 C86 E88 I89V54-Y58 VanDerWaalsContact O-CB 3.31Å; V54-Y58 WeakPolarHBondContact O-CB 3.34Å; V54-Y58 PolarHBondContact O-N 2.84Å; I55-Y58 PolarHBondContact O-N 2.94Å; E56-Y58 VanDerWaalsContact C-N 3.27Å; E56-Y58 PolarHBondContact O-N 3.35Å; Y58-H60 PolarHBondContact O-N 3.46Å; Y58-G61 PolarHBondContact O-N 2.8Å; Y58-Q62 WeakPolarHBondContact CA-O 3.33Å; Y58-Q62 WeakPolarHBondContact CD2-O 3.33Å; Y58-R63 VanDerWaalsContact CE2-CD 3.41Å; Y58-R63 PolarHBondContact O-NH1 3.11Å; Y58-F65 HydrophobicContact CD2-CE2 4.38Å; Y58-L85 VanDerWaalsContact CE1-O 3.25Å; Y58-L85 WeakPolarHBondContact CE1-O 3.37Å; Y58-C86 HydrophobicContact CD1-CB 4.14Å; Y58-C86 HydrophobicContact CD2-CB 3.63Å; Y58-C86 HydrophobicContact CE1-CB 4.27Å; Y58-C86 HydrophobicContact CE2-CB 3.74Å; Y58-C86 HydrophobicContact CG-CB 3.84Å; Y58-C86 VanDerWaalsContact CG-SG 3.53Å; Y58-C86 VanDerWaalsContact CZ-CA 3.49Å; Y58-E88 HydrophobicContact CE2-CB 4.49Å; Y58-E88 WeakPolarHBondContact OH-CB 3.45Å; Y58-E88 PolarHBondContact OH-N 3.04Å; Y58-E88 PolarHBondContact OH-OE2 2.83Å; Y58-I89 HydrophobicContact CE2-CB 4.37Å
59G97.9Very high97.9Very high64 Ų6440 Ų4066%0.6623%0.225SC*.Hα-helixtrans-60.4-23.9173.700000113.3I55 E56 G61I55-G59 PolarHBondContact O-N 3.38Å; E56-G59 PolarHBondContact O-N 3.05Å; E56-G59 VanDerWaalsContact O-N 3.16Å; G59-G61 VanDerWaalsContact C-N 3.35Å
60H97.8Very high98Very high90 Ų9039.4 Ų39.442%0.41722%0.223SC..THydrogen-bonded Turntrans-93.117.3172.6-73.3-67.8000114.4G14 L17 E56 A57 Y58G14-H60 WeakPolarHBondContact CA-CD2 3.39Å; G14-H60 WeakPolarHBondContact CA-NE2 3.31Å; L17-H60 HydrophobicContact CD2-CB 3.87Å; E56-H60 PolarHBondContact O-CD2 3.2Å; E56-H60 VanDerWaalsContact O-CD2 3.25Å; E56-H60 PolarHBondContact O-N 3.32Å; E56-H60 VanDerWaalsContact O-N 3.16Å; A57-H60 CarbonylContact O-C 3.54Å; A57-H60 PolarHBondContact O-N 3.12Å; A57-H60 VanDerWaalsContact O-N 3.12Å; Y58-H60 PolarHBondContact O-N 3.46Å
61G97.4Very high98.1Very high51 Ų5139.5 Ų39.553%0.52622%0.217SC..THydrogen-bonded Turntrans91.6-1.8172.300000114.9A57 Y58 G59 R63A57-G61 PolarHBondContact O-N 3.07Å; Y58-G61 PolarHBondContact O-N 2.8Å; G59-G61 VanDerWaalsContact C-N 3.35Å; G61-R63 PolarHBondContact O-N 3.02Å
62Q98.5Very high98.1Very high12 Ų1239.8 Ų39.86%0.05622%0.216CC..  trans-65.8136.8172.9-169.257.631.200110.1L17 L42 A44 A57 Y58 T64 F65L17-Q62 HydrophobicContact CD2-CB 3.8Å; L42-Q62 PolarHBondContact O-NE2 2.9Å; A44-Q62 HydrophobicContact CB-CG 3.74Å; A57-Q62 HydrophobicContact CB-CB 4.19Å; A57-Q62 VanDerWaalsContact O-CB 3.24Å; A57-Q62 WeakPolarHBondContact O-CB 3.33Å; A57-Q62 PolarHBondContact O-N 3.14Å; A57-Q62 VanDerWaalsContact O-N 3.12Å; Y58-Q62 WeakPolarHBondContact CA-O 3.33Å; Y58-Q62 WeakPolarHBondContact CD2-O 3.33Å; Q62-T64 PolarHBondContact NE2-O 2.71Å; Q62-F65 HydrophobicContact CB-CE1 4.48Å; Q62-F65 HydrophobicContact CB-CE2 4.22Å; Q62-F65 HydrophobicContact CB-CZ 3.79Å; Q62-F65 HydrophobicContact CG-CD2 4.44Å; Q62-F65 HydrophobicContact CG-CE1 3.94Å; Q62-F65 HydrophobicContact CG-CE2 3.83Å; Q62-F65 HydrophobicContact CG-CZ 3.56Å
63R98.4Very high98.2Very high75 Ų7535.3 Ų35.328%0.28319%0.192SC..  trans-123-30.7176.6-66.5-65.7179.9-86.92.1113Y58 G61 F65 E88 K90Y58-R63 VanDerWaalsContact CE2-CD 3.41Å; Y58-R63 PolarHBondContact O-NH1 3.11Å; G61-R63 PolarHBondContact O-N 3.02Å; R63-F65 WeakPolarHBondContact O-CD2 3.43Å; R63-E88 IonicContact CZ-OE2 3.7Å; R63-E88 IonicContact NE-OE2 3.51Å; R63-E88 PolarHBondContact NE-OE2 2.63Å; R63-E88 VanDerWaalsContact NE-OE2 3.1Å; R63-E88 IonicContact NH2-OE2 3.39Å; R63-E88 PolarHBondContact NH2-OE2 3.02Å; R63-K90 PolarHBondContact O-N 2.58Å
64T98.8Very high98.3Very high14 Ų1434.5 Ų34.59%0.08619%0.188CC..EExtended strand (participates in β ladder)trans-99.8122.7-175.7-510000111.3R41 V43 A44 Q62 K90 H92R41-T64 HydrophobicContact CG-CG2 4.18Å; V43-T64 HydrophobicContact CB-CG2 4.39Å; V43-T64 HydrophobicContact CG1-CG2 4.32Å; V43-T64 HydrophobicContact CG2-CG2 3.95Å; A44-T64 PolarHBondContact N-O 2.68Å; Q62-T64 PolarHBondContact NE2-O 2.71Å; T64-K90 WeakPolarHBondContact CA-O 3.39Å; T64-H92 WeakPolarHBondContact CG2-CD2 3.25Å; T64-H92 VanDerWaalsContact CG2-NE2 3.27Å; T64-H92 WeakPolarHBondContact CG2-NE2 3.35Å
65F98.8Very high98.3Very high0 Ų040 Ų400%021%0.214CC..EExtended strand (participates in β ladder)trans-127140.6-177.9-66.9-96.8000111.2A44 V54 A57 Y58 Q62 R63 I89 K90 W91 H92 F247A44-F65 HydrophobicContact CB-CD1 3.99Å; A44-F65 HydrophobicContact CB-CE1 4.2Å; A44-F65 CarbonylContact O-C 3.59Å; A44-F65 VanDerWaalsContact O-CA 3.29Å; A44-F65 WeakPolarHBondContact O-CA 3.49Å; V54-F65 HydrophobicContact CB-CE1 4.36Å; V54-F65 HydrophobicContact CG1-CD1 3.93Å; V54-F65 HydrophobicContact CG1-CE1 3.75Å; V54-F65 HydrophobicContact CG1-CE2 4.37Å; V54-F65 HydrophobicContact CG1-CG 4.31Å; V54-F65 HydrophobicContact CG1-CZ 3.96Å; A57-F65 HydrophobicContact CB-CE1 3.78Å; A57-F65 HydrophobicContact CB-CZ 3.92Å; Y58-F65 HydrophobicContact CD2-CE2 4.38Å; Q62-F65 HydrophobicContact CB-CE1 4.48Å; Q62-F65 HydrophobicContact CB-CE2 4.22Å; Q62-F65 HydrophobicContact CB-CZ 3.79Å; Q62-F65 HydrophobicContact CG-CD2 4.44Å; Q62-F65 HydrophobicContact CG-CE1 3.94Å; Q62-F65 HydrophobicContact CG-CE2 3.83Å; Q62-F65 HydrophobicContact CG-CZ 3.56Å; R63-F65 WeakPolarHBondContact O-CD2 3.43Å; F65-I89 HydrophobicContact CD2-CD1 3.54Å; F65-I89 HydrophobicContact CD2-CG1 3.53Å; F65-I89 HydrophobicContact CE2-CD1 3.82Å; F65-I89 HydrophobicContact CE2-CG1 3.96Å; F65-I89 HydrophobicContact CG-CD1 4.15Å; F65-I89 HydrophobicContact CG-CG1 4.42Å; F65-K90 PolarHBondContact N-O 2.73Å; F65-W91 HydrophobicContact CB-CE3 3.59Å; F65-W91 HydrophobicContact CB-CH2 4.26Å; F65-W91 HydrophobicContact CB-CZ3 3.43Å; F65-W91 VanDerWaalsContact CB-CZ3 3.43Å; F65-W91 HydrophobicContact CG-CZ3 4.25Å; F65-H92 PolarHBondContact O-N 3.41Å; F65-F247 HydrophobicContact CD1-CZ 4.49Å; F65-F247 HydrophobicContact CE1-CZ 4.25Å
66G98.6Very high98.3Very high0 Ų039.1 Ų39.10%021%0.209CC..EExtended strand (participates in β ladder)trans-110.1129.6-179.100000112.1A44 V45 S46 H92A44-G66 PolarHBondContact O-N 3.44Å; V45-G66 WeakPolarHBondContact CA-O 3.36Å; S46-G66 PolarHBondContact N-O 3.49Å; S46-G66 VanDerWaalsContact N-O 3.13Å; G66-H92 WeakPolarHBondContact CA-O 3.31Å
67E98.6Very high98.3Very high0 Ų035.5 Ų35.50%019%0.192CC..EExtended strand (participates in β ladder)trans-123.7146.8174.5-70.3-63.3159.400111.9S46 K47 L73 K76 W91 H92 I94S46-E67 VanDerWaalsContact C-OE1 3.24Å; S46-E67 WeakPolarHBondContact CB-OE1 3.14Å; S46-E67 PolarHBondContact OG-OE1 3.37Å; K47-E67 WeakPolarHBondContact CA-OE2 3.19Å; K47-E67 PolarHBondContact N-OE2 3.39Å; E67-L73 HydrophobicContact CB-CB 3.74Å; E67-L73 HydrophobicContact CB-CD1 3.98Å; E67-L73 HydrophobicContact CB-CD2 4.28Å; E67-L73 HydrophobicContact CB-CG 4.19Å; E67-L73 HydrophobicContact CG-CB 4.05Å; E67-L73 HydrophobicContact CG-CD1 3.73Å; E67-L73 HydrophobicContact CG-CG 4.39Å; E67-K76 WeakPolarHBondContact OE1-CD 3.45Å; E67-K76 IonicContact OE1-NZ 2.68Å; E67-K76 PolarHBondContact OE1-NZ 3.23Å; E67-K76 IonicContact OE2-NZ 2.71Å; E67-K76 PolarHBondContact OE2-NZ 2.91Å; E67-W91 HydrophobicContact CG-CE3 4.01Å; E67-W91 HydrophobicContact CG-CZ3 3.75Å; E67-H92 PolarHBondContact N-O 3.13Å; E67-I94 WeakPolarHBondContact O-CG1 3.42Å; E67-I94 PolarHBondContact O-N 2.98Å
68N98Very high98.3Very high35 Ų3538.3 Ų38.319%0.18721%0.212CC..SBendtrans-101.1-22.9-178.5-79.147.8000113.5K47 F93 I94 G95K47-N68 HydrophobicContact CB-CB 4.38Å; K47-N68 HydrophobicContact CD-CB 3.82Å; K47-N68 WeakPolarHBondContact CD-OD1 3.23Å; K47-N68 PolarHBondContact NZ-ND2 2.71Å; N68-F93 WeakPolarHBondContact O-CE2 3.49Å; N68-F93 WeakPolarHBondContact O-CZ 3.48Å; N68-I94 WeakPolarHBondContact OD1-CG1 3.5Å; N68-G95 WeakPolarHBondContact O-CA 3.25Å
69Y98.1Very high98.2Very high114 Ų11439.7 Ų39.745%0.44722%0.22SC..  trans-118.3123.9-171.5-54.5-76000109.4T48 Q71 E72 L73T48-Y69 HydrophobicContact CG2-CE2 4.42Å; Y69-Q71 VanDerWaalsContact C-N 3.29Å; Y69-Q71 PolarHBondContact O-N 2.92Å; Y69-E72 WeakPolarHBondContact CD2-OE2 3.47Å; Y69-E72 PolarHBondContact O-N 3.44Å; Y69-L73 WeakPolarHBondContact O-CB 3.14Å; Y69-L73 PolarHBondContact O-N 2.95Å
70V98.3Very high98.2Very high10 Ų1041.5 Ų41.56%0.06122%0.22CC..Hα-helixtrans-60.2-41.3-174.1175.80000111.4L74 F93 L97 N101 K104 L105V70-L74 WeakPolarHBondContact O-CB 3.03Å; V70-L74 PolarHBondContact O-N 3.27Å; V70-F93 HydrophobicContact CB-CE2 4.37Å; V70-F93 HydrophobicContact CG2-CD2 4.32Å; V70-F93 HydrophobicContact CG2-CE1 4.25Å; V70-F93 HydrophobicContact CG2-CE2 3.49Å; V70-F93 VanDerWaalsContact CG2-CE2 3.49Å; V70-F93 HydrophobicContact CG2-CZ 3.45Å; V70-F93 VanDerWaalsContact CG2-CZ 3.45Å; V70-L97 HydrophobicContact CG2-CD1 3.86Å; V70-N101 HydrophobicContact CB-CB 4.3Å; V70-N101 HydrophobicContact CG1-CB 4.36Å; V70-N101 HydrophobicContact CG2-CB 4.02Å; V70-K104 HydrophobicContact CG1-CB 3.88Å; V70-K104 HydrophobicContact CG1-CD 4.07Å; V70-K104 HydrophobicContact CG1-CG 3.91Å; V70-L105 HydrophobicContact CG1-CB 3.96Å; V70-L105 HydrophobicContact CG2-CB 4.31Å
71Q97.8Very high98.3Very high74 Ų7442.3 Ų42.335%0.34622%0.223SC..Hα-helixtrans-63.9-48.4178.1-176.759.129.500112Y69 L73 L74 E75Y69-Q71 VanDerWaalsContact C-N 3.29Å; Y69-Q71 PolarHBondContact O-N 2.92Å; Q71-L73 VanDerWaalsContact C-N 3.33Å; Q71-L73 PolarHBondContact O-N 2.83Å; Q71-L74 PolarHBondContact O-N 2.9Å; Q71-E75 WeakPolarHBondContact CG-OE1 3.43Å; Q71-E75 PolarHBondContact NE2-OE1 3.43Å; Q71-E75 WeakPolarHBondContact O-CB 3.25Å; Q71-E75 WeakPolarHBondContact O-CG 3.41Å; Q71-E75 PolarHBondContact O-N 2.78Å
72E98.1Very high98.3Very high23 Ų2339.9 Ų39.911%0.10720%0.198CC..Hα-helixtrans-61.4-42.9178.7-177.2176.8-176.600111.4T48 Y69 E75 K76T48-E72 VanDerWaalsContact CA-OE1 3.31Å; T48-E72 WeakPolarHBondContact CA-OE1 3.19Å; T48-E72 PolarHBondContact N-OE1 3.42Å; T48-E72 PolarHBondContact N-OE2 3.1Å; Y69-E72 WeakPolarHBondContact CD2-OE2 3.47Å; Y69-E72 PolarHBondContact O-N 3.44Å; E72-E75 PolarHBondContact O-N 3.26Å; E72-K76 HydrophobicContact CG-CD 4.27Å; E72-K76 WeakPolarHBondContact O-CG 3.31Å; E72-K76 PolarHBondContact O-N 3.43Å; E72-K76 VanDerWaalsContact OE1-CE 3.25Å; E72-K76 WeakPolarHBondContact OE1-CE 3.3Å; E72-K76 IonicContact OE1-NZ 3.1Å; E72-K76 PolarHBondContact OE1-NZ 3.44Å
73L98.6Very high98.3Very high0 Ų043.4 Ų43.40%022%0.217CC..Hα-helixtrans-60.8-46.7176.2175.555.6000111.2E67 Y69 Q71 E75 K76 A77 W91 F93 L105 V108 L111E67-L73 HydrophobicContact CB-CB 3.74Å; E67-L73 HydrophobicContact CB-CD1 3.98Å; E67-L73 HydrophobicContact CB-CD2 4.28Å; E67-L73 HydrophobicContact CB-CG 4.19Å; E67-L73 HydrophobicContact CG-CB 4.05Å; E67-L73 HydrophobicContact CG-CD1 3.73Å; E67-L73 HydrophobicContact CG-CG 4.39Å; Y69-L73 WeakPolarHBondContact O-CB 3.14Å; Y69-L73 PolarHBondContact O-N 2.95Å; Q71-L73 VanDerWaalsContact C-N 3.33Å; Q71-L73 PolarHBondContact O-N 2.83Å; L73-E75 PolarHBondContact O-N 3.33Å; L73-K76 PolarHBondContact O-N 3.16Å; L73-A77 WeakPolarHBondContact O-CB 3.42Å; L73-A77 PolarHBondContact O-N 3.12Å; L73-W91 HydrophobicContact CD1-CB 3.83Å; L73-W91 HydrophobicContact CD1-CD2 3.4Å; L73-W91 HydrophobicContact CD1-CE3 3.42Å; L73-W91 VanDerWaalsContact CD1-CE3 3.42Å; L73-W91 HydrophobicContact CD1-CG 3.6Å; L73-W91 HydrophobicContact CD1-CZ3 4.1Å; L73-F93 HydrophobicContact CD2-CB 4.3Å; L73-F93 HydrophobicContact CD2-CD2 3.91Å; L73-L105 HydrophobicContact CD2-CD1 3.66Å; L73-V108 HydrophobicContact CD1-CG1 4.13Å; L73-V108 HydrophobicContact CD2-CG1 4.17Å; L73-V108 HydrophobicContact CD2-CG2 4.22Å; L73-V108 HydrophobicContact CG-CG1 3.87Å; L73-V108 HydrophobicContact CG-CG2 4Å; L73-L111 HydrophobicContact CD2-CD1 4.39Å
74L98.4Very high98.3Very high34 Ų3443.8 Ų43.818%0.17823%0.231CC..Hα-helixtrans-62.9-42.7178.8-178.762.6000111.8V70 Q71 S78 K104 V108V70-L74 WeakPolarHBondContact O-CB 3.03Å; V70-L74 PolarHBondContact O-N 3.27Å; Q71-L74 PolarHBondContact O-N 2.9Å; L74-S78 WeakPolarHBondContact O-CB 3.46Å; L74-S78 PolarHBondContact O-N 2.8Å; L74-S78 PolarHBondContact O-OG 3.46Å; L74-K104 HydrophobicContact CD2-CD 4.32Å; L74-K104 HydrophobicContact CD2-CG 3.69Å; L74-V108 HydrophobicContact CB-CG2 4.11Å; L74-V108 HydrophobicContact CD1-CG2 4.01Å
75E98.2Very high98.2Very high115 Ų11547.8 Ų47.854%0.53725%0.251SS..Hα-helixtrans-61.7-45.8177-74.9170.4-174.200112Q71 E72 L73 N79Q71-E75 WeakPolarHBondContact CG-OE1 3.43Å; Q71-E75 PolarHBondContact NE2-OE1 3.43Å; Q71-E75 WeakPolarHBondContact O-CB 3.25Å; Q71-E75 WeakPolarHBondContact O-CG 3.41Å; Q71-E75 PolarHBondContact O-N 2.78Å; E72-E75 PolarHBondContact O-N 3.26Å; L73-E75 PolarHBondContact O-N 3.33Å; E75-N79 PolarHBondContact O-N 3.42Å; E75-N79 VanDerWaalsContact O-N 3.14Å
76K98.4Very high98.2Very high14 Ų1447.8 Ų47.86%0.06125%0.251CS..Hα-helixtrans-65.8-50176.5-74177.2-172.7171.20111.6S46 K49 E67 E72 L73 S78 N79 I82 W91S46-K76 PolarHBondContact O-NZ 3.36Å; K49-K76 WeakPolarHBondContact O-CE 3.43Å; K49-K76 PolarHBondContact O-NZ 2.89Å; E67-K76 WeakPolarHBondContact OE1-CD 3.45Å; E67-K76 IonicContact OE1-NZ 2.68Å; E67-K76 PolarHBondContact OE1-NZ 3.23Å; E67-K76 IonicContact OE2-NZ 2.71Å; E67-K76 PolarHBondContact OE2-NZ 2.91Å; E72-K76 HydrophobicContact CG-CD 4.27Å; E72-K76 WeakPolarHBondContact O-CG 3.31Å; E72-K76 PolarHBondContact O-N 3.43Å; E72-K76 VanDerWaalsContact OE1-CE 3.25Å; E72-K76 WeakPolarHBondContact OE1-CE 3.3Å; E72-K76 IonicContact OE1-NZ 3.1Å; E72-K76 PolarHBondContact OE1-NZ 3.44Å; L73-K76 PolarHBondContact O-N 3.16Å; K76-S78 PolarHBondContact O-N 3.36Å; K76-N79 WeakPolarHBondContact O-CB 3.2Å; K76-N79 PolarHBondContact O-N 3.11Å; K76-I82 HydrophobicContact CB-CD1 3.98Å; K76-I82 WeakPolarHBondContact O-CB 3.35Å; K76-I82 WeakPolarHBondContact O-CD1 3.43Å; K76-W91 HydrophobicContact CB-CH2 4.09Å; K76-W91 HydrophobicContact CB-CZ2 4.19Å; K76-W91 HydrophobicContact CD-CH2 4.33Å
77A98.2Very high98.2Very high1 Ų151.6 Ų51.61%0.00828%0.276CS..Hα-helixtrans-65.1-29.7-176.800000112.1L73 L83 V108 P109L73-A77 WeakPolarHBondContact O-CB 3.42Å; L73-A77 PolarHBondContact O-N 3.12Å; A77-L83 VanDerWaalsContact O-CD2 3.3Å; A77-L83 WeakPolarHBondContact O-CD2 3.29Å; A77-L83 WeakPolarHBondContact O-CG 3.46Å; A77-V108 HydrophobicContact CB-CG1 3.65Å; A77-P109 HydrophobicContact CB-CG 3.77Å; A77-P109 WeakPolarHBondContact O-CG 3.46Å
78S98.1Very high98.1Very high58 Ų5857.2 Ų57.241%0.40630%0.302SS..THydrogen-bonded Turntrans-88.8-1175.5-47.90000113.6L74 K76 P80L74-S78 WeakPolarHBondContact O-CB 3.46Å; L74-S78 PolarHBondContact O-N 2.8Å; L74-S78 PolarHBondContact O-OG 3.46Å; K76-S78 PolarHBondContact O-N 3.36Å; S78-P80 WeakPolarHBondContact O-CD 3.24Å
79N98.1Very high98.2Very high49 Ų4955.8 Ų55.826%0.26229%0.294SS..  trans-65.5126.8179.2-175.4-60.6000109.8E75 K76 K81 I82 L83E75-N79 PolarHBondContact O-N 3.42Å; E75-N79 VanDerWaalsContact O-N 3.14Å; K76-N79 WeakPolarHBondContact O-CB 3.2Å; K76-N79 PolarHBondContact O-N 3.11Å; N79-K81 PolarHBondContact O-N 3.25Å; N79-K81 VanDerWaalsContact O-N 3.13Å; N79-K81 WeakPolarHBondContact OD1-CB 3.47Å; N79-K81 PolarHBondContact OD1-N 3.12Å; N79-I82 HydrophobicContact CB-CB 4.2Å; N79-I82 HydrophobicContact CB-CD1 4.33Å; N79-I82 HydrophobicContact CB-CG1 4.33Å; N79-I82 PolarHBondContact O-N 3.12Å; N79-L83 PolarHBondContact O-N 3.49Å
80P97.9Very high98.2Very high102 Ų10254.5 Ų54.566%0.66229%0.291SS*.Hα-helixtrans-56.1-33.2-177.9-2835.2000114.4S78 S84S78-P80 WeakPolarHBondContact O-CD 3.24Å; P80-S84 WeakPolarHBondContact O-CB 3.46Å; P80-S84 PolarHBondContact O-N 3.33Å; P80-S84 VanDerWaalsContact O-N 3.1Å; P80-S84 PolarHBondContact O-OG 2.88Å
81K98.2Very high98.2Very high107 Ų10754 Ų5447%0.46529%0.288SS..Hα-helixtrans-69.7-41.4175.8-64.5-176.3178.9-179.60111.7D52 I55 N79 S84 L85D52-K81 IonicContact OD1-NZ 3.47Å; D52-K81 PolarHBondContact OD1-NZ 3.16Å; I55-K81 HydrophobicContact CD1-CB 3.66Å; I55-K81 HydrophobicContact CD1-CD 4.22Å; N79-K81 PolarHBondContact O-N 3.25Å; N79-K81 VanDerWaalsContact O-N 3.13Å; N79-K81 WeakPolarHBondContact OD1-CB 3.47Å; N79-K81 PolarHBondContact OD1-N 3.12Å; K81-S84 PolarHBondContact O-N 3.48Å; K81-S84 PolarHBondContact O-OG 3.33Å; K81-L85 HydrophobicContact CB-CD1 4.36Å; K81-L85 WeakPolarHBondContact O-CB 3.27Å; K81-L85 WeakPolarHBondContact O-CG 3.39Å; K81-L85 PolarHBondContact O-N 3.01Å
82I98.3Very high98.3Very high1 Ų150.5 Ų50.51%0.00527%0.272CS..Hα-helixtrans-66.4-44.4176.9-75176.7000110.2A51 V54 I55 K76 N79 S84 C86 I89 W91A51-I82 HydrophobicContact CB-CD1 3.76Å; A51-I82 HydrophobicContact CB-CG1 4.37Å; V54-I82 HydrophobicContact CB-CD1 4.41Å; V54-I82 HydrophobicContact CG1-CD1 4.3Å; I55-I82 HydrophobicContact CD1-CG1 4.28Å; I55-I82 HydrophobicContact CG1-CG1 4.06Å; K76-I82 HydrophobicContact CB-CD1 3.98Å; K76-I82 WeakPolarHBondContact O-CB 3.35Å; K76-I82 WeakPolarHBondContact O-CD1 3.43Å; N79-I82 HydrophobicContact CB-CB 4.2Å; N79-I82 HydrophobicContact CB-CD1 4.33Å; N79-I82 HydrophobicContact CB-CG1 4.33Å; N79-I82 PolarHBondContact O-N 3.12Å; I82-S84 VanDerWaalsContact C-N 3.28Å; I82-S84 PolarHBondContact O-N 3.41Å; I82-C86 HydrophobicContact CG2-CB 4.31Å; I82-C86 CarbonylContact O-C 3.58Å; I82-C86 VanDerWaalsContact O-CA 3.31Å; I82-C86 WeakPolarHBondContact O-CA 3.37Å; I82-C86 VanDerWaalsContact O-CB 3.25Å; I82-C86 WeakPolarHBondContact O-CB 3.41Å; I82-C86 PolarHBondContact O-N 2.97Å; I82-I89 HydrophobicContact CG2-CD1 4.45Å; I82-W91 HydrophobicContact CD1-CZ2 4.35Å; I82-W91 HydrophobicContact CG2-CZ2 4.23Å
83L98.1Very high98.3Very high85 Ų8549.5 Ų49.545%0.44527%0.267SS..Hα-helixtrans-60-37.4178.2-71.8171.1000112.8A77 N79 P109A77-L83 VanDerWaalsContact O-CD2 3.3Å; A77-L83 WeakPolarHBondContact O-CD2 3.29Å; A77-L83 WeakPolarHBondContact O-CG 3.46Å; N79-L83 PolarHBondContact O-N 3.49Å; L83-P109 HydrophobicContact CD2-CB 4.23Å; L83-P109 HydrophobicContact CD2-CG 4.07Å
84S98Very high98.3Very high83 Ų8350.2 Ų50.258%0.5827%0.271SS*.Hα-helixtrans-85.5-43.1-178.453.40000113.8P80 K81 I82P80-S84 WeakPolarHBondContact O-CB 3.46Å; P80-S84 PolarHBondContact O-N 3.33Å; P80-S84 VanDerWaalsContact O-N 3.1Å; P80-S84 PolarHBondContact O-OG 2.88Å; K81-S84 PolarHBondContact O-N 3.48Å; K81-S84 PolarHBondContact O-OG 3.33Å; I82-S84 VanDerWaalsContact C-N 3.28Å; I82-S84 PolarHBondContact O-N 3.41Å
85L98.2Very high98.3Very high98 Ų9848.9 Ų48.951%0.51327%0.265SS..Hα-helixtrans-90.4-22-173.9-58.9174.4000113.2I55 Y58 K81 P87I55-L85 HydrophobicContact CD1-CD1 4.34Å; I55-L85 HydrophobicContact CG2-CB 4.45Å; I55-L85 HydrophobicContact CG2-CD1 3.9Å; Y58-L85 VanDerWaalsContact CE1-O 3.25Å; Y58-L85 WeakPolarHBondContact CE1-O 3.37Å; K81-L85 HydrophobicContact CB-CD1 4.36Å; K81-L85 WeakPolarHBondContact O-CB 3.27Å; K81-L85 WeakPolarHBondContact O-CG 3.39Å; K81-L85 PolarHBondContact O-N 3.01Å; L85-P87 WeakPolarHBondContact O-CD 3.4Å
86C98.4Very high98.2Very high0 Ų046.8 Ų46.80%026%0.255CS..  trans-122.752-174.5-50.70000112.9Y58 I82 E88 I89Y58-C86 HydrophobicContact CD1-CB 4.14Å; Y58-C86 HydrophobicContact CD2-CB 3.63Å; Y58-C86 HydrophobicContact CE1-CB 4.27Å; Y58-C86 HydrophobicContact CE2-CB 3.74Å; Y58-C86 HydrophobicContact CG-CB 3.84Å; Y58-C86 VanDerWaalsContact CG-SG 3.53Å; Y58-C86 VanDerWaalsContact CZ-CA 3.49Å; I82-C86 HydrophobicContact CG2-CB 4.31Å; I82-C86 CarbonylContact O-C 3.58Å; I82-C86 VanDerWaalsContact O-CA 3.31Å; I82-C86 WeakPolarHBondContact O-CA 3.37Å; I82-C86 VanDerWaalsContact O-CB 3.25Å; I82-C86 WeakPolarHBondContact O-CB 3.41Å; I82-C86 PolarHBondContact O-N 2.97Å; C86-E88 PolarHBondContact O-N 3.38Å; C86-E88 VanDerWaalsContact O-N 3.16Å; C86-I89 HydrophobicContact CB-CB 4.16Å; C86-I89 HydrophobicContact CB-CD1 4.39Å; C86-I89 WeakPolarHBondContact O-CB 3.36Å; C86-I89 WeakPolarHBondContact O-CG2 3.33Å; C86-I89 PolarHBondContact O-N 2.86Å; C86-I89 VanDerWaalsContact O-N 3.12Å
87P97.4Very high98.1Very high80 Ų8046.3 Ų46.352%0.51925%0.253SS..THydrogen-bonded Turntrans-62.7-27.4-171.226-35.8000113.9L85 N110L85-P87 WeakPolarHBondContact O-CD 3.4Å; P87-N110 PolarHBondContact O-ND2 2.74Å
88E98.1Very high97.9Very high118 Ų11850.3 Ų50.355%0.55127%0.272SS*.THydrogen-bonded Turntrans-95.110.6-178.5-52.7178.4100.400113.5Y58 R63 C86 K90Y58-E88 HydrophobicContact CE2-CB 4.49Å; Y58-E88 WeakPolarHBondContact OH-CB 3.45Å; Y58-E88 PolarHBondContact OH-N 3.04Å; Y58-E88 PolarHBondContact OH-OE2 2.83Å; R63-E88 IonicContact CZ-OE2 3.7Å; R63-E88 IonicContact NE-OE2 3.51Å; R63-E88 PolarHBondContact NE-OE2 2.63Å; R63-E88 VanDerWaalsContact NE-OE2 3.1Å; R63-E88 IonicContact NH2-OE2 3.39Å; R63-E88 PolarHBondContact NH2-OE2 3.02Å; C86-E88 PolarHBondContact O-N 3.38Å; C86-E88 VanDerWaalsContact O-N 3.16Å; E88-K90 PolarHBondContact O-N 2.81Å
89I98.6Very high97.7Very high5 Ų552.8 Ų52.83%0.02628%0.275CS..  trans-59.4137.5-178.9-166159.1000110.7V54 Y58 F65 I82 C86 W91 N110V54-I89 HydrophobicContact CG1-CD1 3.73Å; Y58-I89 HydrophobicContact CE2-CB 4.37Å; F65-I89 HydrophobicContact CD2-CD1 3.54Å; F65-I89 HydrophobicContact CD2-CG1 3.53Å; F65-I89 HydrophobicContact CE2-CD1 3.82Å; F65-I89 HydrophobicContact CE2-CG1 3.96Å; F65-I89 HydrophobicContact CG-CD1 4.15Å; F65-I89 HydrophobicContact CG-CG1 4.42Å; I82-I89 HydrophobicContact CG2-CD1 4.45Å; C86-I89 HydrophobicContact CB-CB 4.16Å; C86-I89 HydrophobicContact CB-CD1 4.39Å; C86-I89 WeakPolarHBondContact O-CB 3.36Å; C86-I89 WeakPolarHBondContact O-CG2 3.33Å; C86-I89 PolarHBondContact O-N 2.86Å; C86-I89 VanDerWaalsContact O-N 3.12Å; I89-W91 HydrophobicContact CD1-CD2 4.27Å; I89-W91 HydrophobicContact CD1-CH2 3.76Å; I89-W91 HydrophobicContact CD1-CZ2 3.31Å; I89-W91 HydrophobicContact CD1-CZ3 4.39Å; I89-W91 HydrophobicContact CG1-CD2 4.32Å; I89-W91 HydrophobicContact CG1-CZ2 4.19Å; I89-N110 HydrophobicContact CG2-CB 4.12Å; I89-N110 VanDerWaalsContact O-CB 3.27Å; I89-N110 WeakPolarHBondContact O-CB 3.28Å
90K98.8Very high97.6Very high87 Ų8757 Ų5738%0.37829%0.293SS..EExtended strand (participates in β ladder)trans-115.5103.6178.1-68.1177.1-177.1175.30108.7R63 T64 F65 E88 F112R63-K90 PolarHBondContact O-N 2.58Å; T64-K90 WeakPolarHBondContact CA-O 3.39Å; F65-K90 PolarHBondContact N-O 2.73Å; E88-K90 PolarHBondContact O-N 2.81Å; K90-F112 HydrophobicContact CB-CB 3.8Å; K90-F112 HydrophobicContact CB-CD1 4.23Å; K90-F112 HydrophobicContact CB-CD2 4.32Å; K90-F112 HydrophobicContact CB-CG 3.86Å; K90-F112 HydrophobicContact CD-CD1 4.35Å; K90-F112 HydrophobicContact CD-CD2 3.94Å; K90-F112 HydrophobicContact CD-CE1 4.32Å; K90-F112 HydrophobicContact CD-CE2 3.91Å; K90-F112 HydrophobicContact CD-CG 4.15Å; K90-F112 HydrophobicContact CD-CZ 4.1Å; K90-F112 HydrophobicContact CG-CB 4.25Å; K90-F112 HydrophobicContact CG-CD2 3.92Å; K90-F112 HydrophobicContact CG-CE2 4.39Å; K90-F112 HydrophobicContact CG-CG 3.99Å
91W98.8Very high97.6Very high1 Ų153.3 Ų53.30%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-82.8126.1179.4-67.6112.7000111.4V54 F65 E67 L73 K76 I82 I89 N110 F112 M113V54-W91 HydrophobicContact CG1-CH2 3.92Å; V54-W91 HydrophobicContact CG1-CZ2 4.45Å; V54-W91 HydrophobicContact CG2-CH2 4.44Å; F65-W91 HydrophobicContact CB-CE3 3.59Å; F65-W91 HydrophobicContact CB-CH2 4.26Å; F65-W91 HydrophobicContact CB-CZ3 3.43Å; F65-W91 VanDerWaalsContact CB-CZ3 3.43Å; F65-W91 HydrophobicContact CG-CZ3 4.25Å; E67-W91 HydrophobicContact CG-CE3 4.01Å; E67-W91 HydrophobicContact CG-CZ3 3.75Å; L73-W91 HydrophobicContact CD1-CB 3.83Å; L73-W91 HydrophobicContact CD1-CD2 3.4Å; L73-W91 HydrophobicContact CD1-CE3 3.42Å; L73-W91 VanDerWaalsContact CD1-CE3 3.42Å; L73-W91 HydrophobicContact CD1-CG 3.6Å; L73-W91 HydrophobicContact CD1-CZ3 4.1Å; K76-W91 HydrophobicContact CB-CH2 4.09Å; K76-W91 HydrophobicContact CB-CZ2 4.19Å; K76-W91 HydrophobicContact CD-CH2 4.33Å; I82-W91 HydrophobicContact CD1-CZ2 4.35Å; I82-W91 HydrophobicContact CG2-CZ2 4.23Å; I89-W91 HydrophobicContact CD1-CD2 4.27Å; I89-W91 HydrophobicContact CD1-CH2 3.76Å; I89-W91 HydrophobicContact CD1-CZ2 3.31Å; I89-W91 HydrophobicContact CD1-CZ3 4.39Å; I89-W91 HydrophobicContact CG1-CD2 4.32Å; I89-W91 HydrophobicContact CG1-CZ2 4.19Å; W91-N110 PolarHBondContact N-O 3.07Å; W91-F112 PolarHBondContact O-N 3.25Å; W91-M113 PolarHBondContact O-N 3.23Å; W91-M113 VanDerWaalsContact O-N 3.16Å
92H98.9Very high97.6Very high0 Ų048.2 Ų48.20%025%0.246CC..EExtended strand (participates in β ladder)trans-105.1125.9169.4-73.7-140.6000108.4V43 T64 F65 G66 E67 I94 F112 M113 E115V43-H92 HydrophobicContact CG1-CB 4.23Å; T64-H92 WeakPolarHBondContact CG2-CD2 3.25Å; T64-H92 VanDerWaalsContact CG2-NE2 3.27Å; T64-H92 WeakPolarHBondContact CG2-NE2 3.35Å; F65-H92 PolarHBondContact O-N 3.41Å; G66-H92 WeakPolarHBondContact CA-O 3.31Å; E67-H92 PolarHBondContact N-O 3.13Å; H92-I94 HydrophobicContact CB-CG2 4.08Å; H92-F112 AromaticContact CD2-CD1 3.98Å; H92-F112 AromaticContact NE2-CD1 3.37Å; H92-F112 WeakPolarHBondContact NE2-CD1 3.25Å; H92-F112 AromaticContact NE2-CE1 3.96Å; H92-M113 CarbonylContact C-O 3.42Å; H92-M113 WeakPolarHBondContact CA-O 3.36Å; H92-M113 PolarHBondContact CE1-SD 2.77Å; H92-E115 IonicContact CE1-OE1 3.59Å; H92-E115 IonicContact CG-OE1 3.41Å; H92-E115 IonicContact ND1-OE1 2.77Å; H92-E115 PolarHBondContact ND1-OE1 2.89Å
93F98.8Very high97.6Very high1 Ų152.4 Ų52.40%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-90.1117.7167.3-170.6-101.6000109.6N68 V70 L73 G95 L97 L105 L111 M113 L114 E115N68-F93 WeakPolarHBondContact O-CE2 3.49Å; N68-F93 WeakPolarHBondContact O-CZ 3.48Å; V70-F93 HydrophobicContact CB-CE2 4.37Å; V70-F93 HydrophobicContact CG2-CD2 4.32Å; V70-F93 HydrophobicContact CG2-CE1 4.25Å; V70-F93 HydrophobicContact CG2-CE2 3.49Å; V70-F93 VanDerWaalsContact CG2-CE2 3.49Å; V70-F93 HydrophobicContact CG2-CZ 3.45Å; V70-F93 VanDerWaalsContact CG2-CZ 3.45Å; L73-F93 HydrophobicContact CD2-CB 4.3Å; L73-F93 HydrophobicContact CD2-CD2 3.91Å; F93-G95 WeakPolarHBondContact CE1-O 3.46Å; F93-L97 HydrophobicContact CD1-CB 4.35Å; F93-L97 HydrophobicContact CE1-CB 3.76Å; F93-L97 HydrophobicContact CE1-CD1 4.04Å; F93-L97 HydrophobicContact CE1-CG 4.41Å; F93-L97 HydrophobicContact CZ-CD1 4.49Å; F93-L105 HydrophobicContact CB-CD1 3.88Å; F93-L105 HydrophobicContact CB-CD2 4Å; F93-L105 HydrophobicContact CD1-CD2 3.84Å; F93-L105 HydrophobicContact CD2-CD1 3.81Å; F93-L105 HydrophobicContact CD2-CD2 4.49Å; F93-L105 HydrophobicContact CE1-CD2 4.47Å; F93-L105 HydrophobicContact CG-CD1 3.82Å; F93-L105 HydrophobicContact CG-CD2 3.83Å; F93-L111 HydrophobicContact CB-CD1 4.46Å; F93-M113 PolarHBondContact N-O 2.88Å; F93-L114 HydrophobicContact CB-CD1 4.11Å; F93-L114 HydrophobicContact CD1-CD1 3.54Å; F93-L114 HydrophobicContact CE1-CD1 4.49Å; F93-L114 HydrophobicContact CG-CD1 4.28Å; F93-E115 PolarHBondContact O-N 3.3Å
94I98.5Very high97.6Very high16 Ų1652.2 Ų52.28%0.08226%0.264CS..  trans-125.914.1-172.362.3165.2000112.5V45 E67 N68 H92 E115 T116V45-I94 HydrophobicContact CB-CD1 4.46Å; V45-I94 HydrophobicContact CG1-CD1 4.02Å; V45-I94 HydrophobicContact CG2-CD1 3.65Å; E67-I94 WeakPolarHBondContact O-CG1 3.42Å; E67-I94 PolarHBondContact O-N 2.98Å; N68-I94 WeakPolarHBondContact OD1-CG1 3.5Å; H92-I94 HydrophobicContact CB-CG2 4.08Å; I94-E115 HydrophobicContact CG2-CB 4.12Å; I94-E115 HydrophobicContact CG2-CG 3.98Å; I94-E115 WeakPolarHBondContact CG2-OE1 3.46Å; I94-T116 VanDerWaalsContact C-CG2 3.47Å
95G97.6Very high97.6Very high5 Ų548.2 Ų48.25%0.05224%0.236CC..SBendtrans-101.2171.3173.100000112.7N68 F93 L97 T116N68-G95 WeakPolarHBondContact O-CA 3.25Å; F93-G95 WeakPolarHBondContact CE1-O 3.46Å; G95-L97 PolarHBondContact O-N 3.16Å; G95-T116 VanDerWaalsContact O-CB 3.31Å; G95-T116 WeakPolarHBondContact O-CB 3.46Å; G95-T116 WeakPolarHBondContact O-CG2 3.43Å; G95-T116 PolarHBondContact O-OG1 3.35Å
96H96.2Very high97.6Very high72 Ų7243.8 Ų43.833%0.33321%0.212SC..  trans-66.3123.1175.9179.360.1000111D118 H154H96-D118 IonicContact CE1-OD2 3.18Å; H96-D118 IonicContact ND1-OD2 3.15Å; H96-H154 AromaticContact CD2-CE1 3.55Å; H96-H154 AromaticContact CD2-ND1 3.96Å; H96-H154 AromaticContact CD2-NE2 3.81Å; H96-H154 AromaticContact CE1-CE1 3.87Å; H96-H154 AromaticContact CE1-ND1 3.55Å; H96-H154 AromaticContact CG-CD2 3.71Å; H96-H154 AromaticContact CG-CE1 3.57Å; H96-H154 AromaticContact CG-CG 3.74Å; H96-H154 AromaticContact CG-ND1 3.67Å; H96-H154 AromaticContact CG-NE2 3.59Å; H96-H154 AromaticContact ND1-CD2 3.99Å; H96-H154 AromaticContact ND1-CE1 3.77Å; H96-H154 AromaticContact ND1-CG 3.53Å; H96-H154 AromaticContact ND1-ND1 3.4Å; H96-H154 PolarHBondContact ND1-ND1 2.98Å; H96-H154 AromaticContact NE2-CE1 3.77Å; H96-H154 AromaticContact NE2-ND1 3.92Å
97L97.4Very high97.5Very high3 Ų346.7 Ų46.72%0.01624%0.237CC..  trans-94.6102.9-178.6-174.755.8000111.5V70 F93 G95 N101 V102 L105 L114 L122 V126V70-L97 HydrophobicContact CG2-CD1 3.86Å; F93-L97 HydrophobicContact CD1-CB 4.35Å; F93-L97 HydrophobicContact CE1-CB 3.76Å; F93-L97 HydrophobicContact CE1-CD1 4.04Å; F93-L97 HydrophobicContact CE1-CG 4.41Å; F93-L97 HydrophobicContact CZ-CD1 4.49Å; G95-L97 PolarHBondContact O-N 3.16Å; L97-N101 HydrophobicContact CD1-CB 4.33Å; L97-V102 HydrophobicContact CD1-CG2 4.4Å; L97-V102 HydrophobicContact CD2-CG2 3.95Å; L97-V102 HydrophobicContact CG-CG2 4.01Å; L97-L105 HydrophobicContact CD1-CB 4.27Å; L97-L105 HydrophobicContact CD1-CD2 3.85Å; L97-L105 HydrophobicContact CD2-CD2 3.62Å; L97-L105 HydrophobicContact CG-CD2 4.36Å; L97-L114 HydrophobicContact CD2-CD1 3.87Å; L97-L114 HydrophobicContact CD2-CD2 3.69Å; L97-L114 HydrophobicContact CD2-CG 4.46Å; L97-L122 HydrophobicContact CB-CD1 4.49Å; L97-L122 HydrophobicContact CB-CD2 4.28Å; L97-L122 HydrophobicContact CD2-CD1 4.11Å; L97-L122 HydrophobicContact CG-CD1 4.15Å; L97-V126 HydrophobicContact CD2-CG2 4.04Å
98Q94.5Very high97.5Very high85 Ų8542.9 Ų42.940%0.39721%0.212SC..  trans-71141.6170.9-64.2177-18.700111.1Q100 N101 V102Q98-Q100 HydrophobicContact CB-CG 4.31Å; Q98-Q100 PolarHBondContact O-N 2.94Å; Q98-Q100 VanDerWaalsContact O-N 3.12Å; Q98-N101 PolarHBondContact O-N 3.45Å; Q98-V102 PolarHBondContact O-N 2.83Å
99K93.8Very high97.4Very high111 Ų11139.1 Ų39.148%0.48320%0.198SC..G310 helixtrans-53.3-36.9-177.9-70.2-178-178.7172.80114.2N101 V102K99-N101 VanDerWaalsContact C-N 3.27Å; K99-N101 PolarHBondContact O-N 3.01Å; K99-V102 WeakPolarHBondContact O-CG2 3.18Å; K99-V102 PolarHBondContact O-N 3.42Å
100Q95.6Very high97.4Very high136 Ų13642.5 Ų42.564%0.63622%0.216SC*.G310 helixtrans-67.2-29178.968.4-169.918.500112.9Q98Q98-Q100 HydrophobicContact CB-CG 4.31Å; Q98-Q100 PolarHBondContact O-N 2.94Å; Q98-Q100 VanDerWaalsContact O-N 3.12Å
101N97.7Very high97.3Very high26 Ų2639 Ų3914%0.13920%0.202CC..G310 helixtrans-89.5-4.3-177.4-73-26.1000112.9V70 L97 Q98 K99 N103 K104 L105 D259V70-N101 HydrophobicContact CB-CB 4.3Å; V70-N101 HydrophobicContact CG1-CB 4.36Å; V70-N101 HydrophobicContact CG2-CB 4.02Å; L97-N101 HydrophobicContact CD1-CB 4.33Å; Q98-N101 PolarHBondContact O-N 3.45Å; K99-N101 VanDerWaalsContact C-N 3.27Å; K99-N101 PolarHBondContact O-N 3.01Å; N101-N103 PolarHBondContact O-N 3.22Å; N101-K104 PolarHBondContact O-N 2.98Å; N101-L105 PolarHBondContact O-N 3.31Å; N101-D259 PolarHBondContact ND2-OD2 3.28Å
102V98.3Very high97.3Very high0 Ų041.2 Ų41.20%021%0.211CC..Hα-helixtrans-56.9-50.9179.4173.50000111.7L97 Q98 K99 K104 L105 M106 L122 K125 V126L97-V102 HydrophobicContact CD1-CG2 4.4Å; L97-V102 HydrophobicContact CD2-CG2 3.95Å; L97-V102 HydrophobicContact CG-CG2 4.01Å; Q98-V102 PolarHBondContact O-N 2.83Å; K99-V102 WeakPolarHBondContact O-CG2 3.18Å; K99-V102 PolarHBondContact O-N 3.42Å; V102-K104 VanDerWaalsContact C-N 3.25Å; V102-K104 PolarHBondContact O-N 3.46Å; V102-L105 PolarHBondContact O-N 3.41Å; V102-L105 VanDerWaalsContact O-N 3.13Å; V102-M106 HydrophobicContact CG1-CG 4.24Å; V102-M106 WeakPolarHBondContact O-CG 3.48Å; V102-M106 PolarHBondContact O-N 2.93Å; V102-L122 HydrophobicContact CG2-CD1 3.81Å; V102-K125 HydrophobicContact CB-CG 4.04Å; V102-K125 HydrophobicContact CG1-CG 4.04Å; V102-K125 HydrophobicContact CG2-CG 3.9Å; V102-V126 HydrophobicContact CG1-CB 4.42Å; V102-V126 HydrophobicContact CG1-CG2 3.93Å; V102-V126 HydrophobicContact CG2-CG2 4.21Å
103N97.4Very high97.3Very high88 Ų8841.2 Ų41.247%0.47121%0.211SC..Hα-helixtrans-61.6-37.2-178.6-70.5-11.3000111.9N101 M106 A107 S129N101-N103 PolarHBondContact O-N 3.22Å; N103-M106 PolarHBondContact O-N 3.41Å; N103-A107 PolarHBondContact O-N 3.34Å; N103-S129 PolarHBondContact OD1-OG 2.97Å
104K97.9Very high97.3Very high81 Ų8141.2 Ų41.235%0.35221%0.211SC..Hα-helixtrans-66.9-40.8177.2-166.4179.9-125.6175.40111.1V70 L74 N101 V102 A107V70-K104 HydrophobicContact CG1-CB 3.88Å; V70-K104 HydrophobicContact CG1-CD 4.07Å; V70-K104 HydrophobicContact CG1-CG 3.91Å; L74-K104 HydrophobicContact CD2-CD 4.32Å; L74-K104 HydrophobicContact CD2-CG 3.69Å; N101-K104 PolarHBondContact O-N 2.98Å; V102-K104 VanDerWaalsContact C-N 3.25Å; V102-K104 PolarHBondContact O-N 3.46Å; K104-A107 PolarHBondContact O-N 2.71Å
105L98.4Very high97.3Very high0 Ų040.4 Ų40.40%021%0.207CC..Hα-helixtrans-64.3-43.3174.3-178.664.6000111.7V70 L73 F93 L97 N101 V102 A107 V108 L111 L114V70-L105 HydrophobicContact CG1-CB 3.96Å; V70-L105 HydrophobicContact CG2-CB 4.31Å; L73-L105 HydrophobicContact CD2-CD1 3.66Å; F93-L105 HydrophobicContact CB-CD1 3.88Å; F93-L105 HydrophobicContact CB-CD2 4Å; F93-L105 HydrophobicContact CD1-CD2 3.84Å; F93-L105 HydrophobicContact CD2-CD1 3.81Å; F93-L105 HydrophobicContact CD2-CD2 4.49Å; F93-L105 HydrophobicContact CE1-CD2 4.47Å; F93-L105 HydrophobicContact CG-CD1 3.82Å; F93-L105 HydrophobicContact CG-CD2 3.83Å; L97-L105 HydrophobicContact CD1-CB 4.27Å; L97-L105 HydrophobicContact CD1-CD2 3.85Å; L97-L105 HydrophobicContact CD2-CD2 3.62Å; L97-L105 HydrophobicContact CG-CD2 4.36Å; N101-L105 PolarHBondContact O-N 3.31Å; V102-L105 PolarHBondContact O-N 3.41Å; V102-L105 VanDerWaalsContact O-N 3.13Å; L105-A107 PolarHBondContact O-N 3.49Å; L105-V108 HydrophobicContact CD1-CG2 4.19Å; L105-V108 VanDerWaalsContact O-CB 3.23Å; L105-V108 WeakPolarHBondContact O-CB 3.42Å; L105-V108 VanDerWaalsContact O-CG2 3.26Å; L105-V108 WeakPolarHBondContact O-CG2 3.26Å; L105-V108 PolarHBondContact O-N 3.24Å; L105-L111 HydrophobicContact CD1-CD1 4.04Å; L105-L111 HydrophobicContact CD1-CD2 4.3Å; L105-L111 HydrophobicContact CG-CD2 3.97Å; L105-L114 HydrophobicContact CD2-CD1 4.02Å
106M97.6Very high97.4Very high4 Ų440.2 Ų40.22%0.0221%0.205CC..Hα-helixtrans-62.8-25.5179.8-59.9-53.283.900112.2V102 N103 V108 L111 V126 S129 W130 K133 L139V102-M106 HydrophobicContact CG1-CG 4.24Å; V102-M106 WeakPolarHBondContact O-CG 3.48Å; V102-M106 PolarHBondContact O-N 2.93Å; N103-M106 PolarHBondContact O-N 3.41Å; M106-V108 PolarHBondContact O-N 2.9Å; M106-L111 HydrophobicContact CE-CD2 3.74Å; M106-V126 HydrophobicContact CE-CG1 4.13Å; M106-V126 HydrophobicContact SD-CG1 3.88Å; M106-S129 VanDerWaalsContact CG-OG 3.31Å; M106-S129 WeakPolarHBondContact CG-OG 3.43Å; M106-W130 HydrophobicContact CB-CE3 4.22Å; M106-W130 HydrophobicContact CG-CE3 4.28Å; M106-W130 HydrophobicContact SD-CB 4.13Å; M106-W130 HydrophobicContact SD-CD2 4.33Å; M106-W130 HydrophobicContact SD-CE3 3.48Å; M106-W130 HydrophobicContact SD-CZ3 4.22Å; M106-K133 VanDerWaalsContact O-CD 3.23Å; M106-K133 WeakPolarHBondContact O-CD 3.19Å; M106-K133 WeakPolarHBondContact O-CE 3.49Å; M106-K133 PolarHBondContact O-NZ 2.54Å; M106-L139 HydrophobicContact CE-CD2 3.9Å; M106-L139 HydrophobicContact SD-CD2 3.88Å
107A96.6Very high97.5Very high62 Ų6236.8 Ų36.851%0.51219%0.189SC..THydrogen-bonded Turntrans-74-9.817600000114.2N103 K104 L105N103-A107 PolarHBondContact O-N 3.34Å; K104-A107 PolarHBondContact O-N 2.71Å; L105-A107 PolarHBondContact O-N 3.49Å
108V97.9Very high97.5Very high0 Ų038 Ų380%020%0.196CC..SBendtrans-63.6124.3179.1171.90000110.1L73 L74 A77 L105 M106 L111L73-V108 HydrophobicContact CD1-CG1 4.13Å; L73-V108 HydrophobicContact CD2-CG1 4.17Å; L73-V108 HydrophobicContact CD2-CG2 4.22Å; L73-V108 HydrophobicContact CG-CG1 3.87Å; L73-V108 HydrophobicContact CG-CG2 4Å; L74-V108 HydrophobicContact CB-CG2 4.11Å; L74-V108 HydrophobicContact CD1-CG2 4.01Å; A77-V108 HydrophobicContact CB-CG1 3.65Å; L105-V108 HydrophobicContact CD1-CG2 4.19Å; L105-V108 VanDerWaalsContact O-CB 3.23Å; L105-V108 WeakPolarHBondContact O-CB 3.42Å; L105-V108 VanDerWaalsContact O-CG2 3.26Å; L105-V108 WeakPolarHBondContact O-CG2 3.26Å; L105-V108 PolarHBondContact O-N 3.24Å; M106-V108 PolarHBondContact O-N 2.9Å; V108-L111 HydrophobicContact CB-CB 4.18Å; V108-L111 HydrophobicContact CG1-CB 4.15Å
109P96.8Very high97.6Very high39 Ų3935.7 Ų35.725%0.25319%0.188SC..THydrogen-bonded Turntrans-68.2143.7172.628.6-33.2000109.8A77 L83 L111A77-P109 HydrophobicContact CB-CG 3.77Å; A77-P109 WeakPolarHBondContact O-CG 3.46Å; L83-P109 HydrophobicContact CD2-CB 4.23Å; L83-P109 HydrophobicContact CD2-CG 4.07Å; P109-L111 PolarHBondContact O-N 2.59Å; P109-L111 VanDerWaalsContact O-N 3.15Å
110N97Very high97.8Very high76 Ų7632.8 Ų32.841%0.40618%0.18SC..THydrogen-bonded Turntrans54.429-177.4-58.2-15.7000114.7P87 I89 W91 F112P87-N110 PolarHBondContact O-ND2 2.74Å; I89-N110 HydrophobicContact CG2-CB 4.12Å; I89-N110 VanDerWaalsContact O-CB 3.27Å; I89-N110 WeakPolarHBondContact O-CB 3.28Å; W91-N110 PolarHBondContact N-O 3.07Å; N110-F112 PolarHBondContact O-N 3.27Å; N110-F112 VanDerWaalsContact O-N 3.14Å
111L98.4Very high97.9Very high14 Ų1433.3 Ų33.37%0.07318%0.18CC..EExtended strand (participates in β ladder)trans-63.1113.4165.6-177.767.6000108.7L73 F93 L105 M106 V108 P109 W130 L139L73-L111 HydrophobicContact CD2-CD1 4.39Å; F93-L111 HydrophobicContact CB-CD1 4.46Å; L105-L111 HydrophobicContact CD1-CD1 4.04Å; L105-L111 HydrophobicContact CD1-CD2 4.3Å; L105-L111 HydrophobicContact CG-CD2 3.97Å; M106-L111 HydrophobicContact CE-CD2 3.74Å; V108-L111 HydrophobicContact CB-CB 4.18Å; V108-L111 HydrophobicContact CG1-CB 4.15Å; P109-L111 PolarHBondContact O-N 2.59Å; P109-L111 VanDerWaalsContact O-N 3.15Å; L111-W130 HydrophobicContact CD2-CZ3 3.97Å; L111-L139 HydrophobicContact CD2-CD1 4.05Å; L111-L139 HydrophobicContact CD2-CD2 4.3Å; L111-L139 HydrophobicContact CG-CD1 4.07Å
112F98.5Very high98Very high47 Ų4732.1 Ų32.121%0.20617%0.174CC..EExtended strand (participates in β ladder)trans-101.3-38.1-174.7-175.6-99.2000112.2K90 W91 H92 N110 K140K90-F112 HydrophobicContact CB-CB 3.8Å; K90-F112 HydrophobicContact CB-CD1 4.23Å; K90-F112 HydrophobicContact CB-CD2 4.32Å; K90-F112 HydrophobicContact CB-CG 3.86Å; K90-F112 HydrophobicContact CD-CD1 4.35Å; K90-F112 HydrophobicContact CD-CD2 3.94Å; K90-F112 HydrophobicContact CD-CE1 4.32Å; K90-F112 HydrophobicContact CD-CE2 3.91Å; K90-F112 HydrophobicContact CD-CG 4.15Å; K90-F112 HydrophobicContact CD-CZ 4.1Å; K90-F112 HydrophobicContact CG-CB 4.25Å; K90-F112 HydrophobicContact CG-CD2 3.92Å; K90-F112 HydrophobicContact CG-CE2 4.39Å; K90-F112 HydrophobicContact CG-CG 3.99Å; W91-F112 PolarHBondContact O-N 3.25Å; H92-F112 AromaticContact CD2-CD1 3.98Å; H92-F112 AromaticContact NE2-CD1 3.37Å; H92-F112 WeakPolarHBondContact NE2-CD1 3.25Å; H92-F112 AromaticContact NE2-CE1 3.96Å; N110-F112 PolarHBondContact O-N 3.27Å; N110-F112 VanDerWaalsContact O-N 3.14Å; F112-K140 HydrophobicContact CE1-CD 4.12Å; F112-K140 HydrophobicContact CZ-CD 4.07Å
113M98.6Very high98Very high0 Ų032.1 Ų32.10%017%0.174CC..EExtended strand (participates in β ladder)trans-149.1141.8-175.4-167.6174.5-66.600112.6W91 H92 F93 E115 K140 M142 V178W91-M113 PolarHBondContact O-N 3.23Å; W91-M113 VanDerWaalsContact O-N 3.16Å; H92-M113 CarbonylContact C-O 3.42Å; H92-M113 WeakPolarHBondContact CA-O 3.36Å; H92-M113 PolarHBondContact CE1-SD 2.77Å; F93-M113 PolarHBondContact N-O 2.88Å; M113-E115 HydrophobicContact CG-CG 3.98Å; M113-E115 HydrophobicContact SD-CG 3.87Å; M113-K140 WeakPolarHBondContact CA-O 3.46Å; M113-K140 HydrophobicContact CB-CB 4.42Å; M113-K140 HydrophobicContact CE-CB 4.15Å; M113-K140 HydrophobicContact CE-CD 4.26Å; M113-K140 HydrophobicContact CG-CB 4.15Å; M113-M142 HydrophobicContact CE-CE 4.09Å; M113-M142 HydrophobicContact SD-CE 3.36Å; M113-M142 WeakPolarHBondContact SD-CE 3.31Å; M113-M142 HydrophobicContact SD-CG 4.05Å; M113-M142 HydrophobicContact SD-SD 3.98Å; M113-V178 HydrophobicContact CE-CG2 3.91Å; M113-V178 HydrophobicContact SD-CG2 4.25Å
114L98.8Very high98Very high0 Ų030.7 Ų30.70%017%0.166CC..EExtended strand (participates in β ladder)trans-110.9111166.5168.262000108.7F93 L97 L105 T116 V117 V126 L139 K140 V141 M142F93-L114 HydrophobicContact CB-CD1 4.11Å; F93-L114 HydrophobicContact CD1-CD1 3.54Å; F93-L114 HydrophobicContact CE1-CD1 4.49Å; F93-L114 HydrophobicContact CG-CD1 4.28Å; L97-L114 HydrophobicContact CD2-CD1 3.87Å; L97-L114 HydrophobicContact CD2-CD2 3.69Å; L97-L114 HydrophobicContact CD2-CG 4.46Å; L105-L114 HydrophobicContact CD2-CD1 4.02Å; L114-T116 VanDerWaalsContact CD1-OG1 3.26Å; L114-T116 WeakPolarHBondContact CD1-OG1 3.25Å; L114-V117 HydrophobicContact CD2-CG2 3.71Å; L114-V117 HydrophobicContact CG-CG2 4Å; L114-V126 HydrophobicContact CD2-CB 4.46Å; L114-V126 HydrophobicContact CD2-CG1 3.91Å; L114-V126 HydrophobicContact CD2-CG2 3.77Å; L114-L139 HydrophobicContact CB-CD2 4.36Å; L114-K140 PolarHBondContact N-O 3.17Å; L114-V141 HydrophobicContact CB-CG1 4.3Å; L114-V141 CarbonylContact O-C 3.5Å; L114-V141 VanDerWaalsContact O-CA 3.25Å; L114-V141 WeakPolarHBondContact O-CA 3.32Å; L114-M142 PolarHBondContact O-N 2.97Å
115E98.8Very high98.1Very high0 Ų030.7 Ų30.70%017%0.166CC..EExtended strand (participates in β ladder)trans-90.9-2.7-173.2-62-171.8-15100114.3H92 F93 I94 M113 M142 M181 S222H92-E115 IonicContact CE1-OE1 3.59Å; H92-E115 IonicContact CG-OE1 3.41Å; H92-E115 IonicContact ND1-OE1 2.77Å; H92-E115 PolarHBondContact ND1-OE1 2.89Å; F93-E115 PolarHBondContact O-N 3.3Å; I94-E115 HydrophobicContact CG2-CB 4.12Å; I94-E115 HydrophobicContact CG2-CG 3.98Å; I94-E115 WeakPolarHBondContact CG2-OE1 3.46Å; M113-E115 HydrophobicContact CG-CG 3.98Å; M113-E115 HydrophobicContact SD-CG 3.87Å; E115-M142 CarbonylContact C-O 3.58Å; E115-M142 HydrophobicContact CB-CB 4.34Å; E115-M142 HydrophobicContact CB-SD 4.29Å; E115-M142 HydrophobicContact CG-CG 4.38Å; E115-M142 HydrophobicContact CG-SD 3.85Å; E115-M181 HydrophobicContact CB-CB 4.47Å; E115-M181 HydrophobicContact CB-CE 4.44Å; E115-M181 HydrophobicContact CB-CG 4.21Å; E115-M181 WeakPolarHBondContact O-CB 3.44Å; E115-M181 WeakPolarHBondContact O-CE 3.33Å; E115-S222 VanDerWaalsContact OE2-CB 3.31Å; E115-S222 WeakPolarHBondContact OE2-CB 2.98Å; E115-S222 PolarHBondContact OE2-OG 3.23Å
116T98.3Very high98.1Very high0 Ų030.7 Ų30.70%017%0.166CC..EExtended strand (participates in β ladder)trans-12132.4-160.760.80000113I94 G95 L114 D118 M181I94-T116 VanDerWaalsContact C-CG2 3.47Å; G95-T116 VanDerWaalsContact O-CB 3.31Å; G95-T116 WeakPolarHBondContact O-CB 3.46Å; G95-T116 WeakPolarHBondContact O-CG2 3.43Å; G95-T116 PolarHBondContact O-OG1 3.35Å; L114-T116 VanDerWaalsContact CD1-OG1 3.26Å; L114-T116 WeakPolarHBondContact CD1-OG1 3.25Å; T116-D118 PolarHBondContact O-N 3.14Å; T116-M181 HydrophobicContact CG2-CE 3.39Å
117V98.6Very high98.1Very high0 Ų031 Ų310%017%0.168CC..EExtended strand (participates in β ladder)trans-72.6117.1173.6179.40000108.5L114 A123 V141 M142 V143 Q144 I168L114-V117 HydrophobicContact CD2-CG2 3.71Å; L114-V117 HydrophobicContact CG-CG2 4Å; V117-A123 HydrophobicContact CG1-CB 3.97Å; V117-V141 HydrophobicContact CG2-CB 3.98Å; V117-V141 HydrophobicContact CG2-CG1 4.16Å; V117-M142 WeakPolarHBondContact CB-O 3.38Å; V117-M142 PolarHBondContact N-O 2.95Å; V117-V143 CarbonylContact O-C 3.57Å; V117-V143 VanDerWaalsContact O-CA 3.31Å; V117-V143 WeakPolarHBondContact O-CA 3.3Å; V117-Q144 PolarHBondContact O-N 3.43Å; V117-I168 HydrophobicContact CG1-CD1 4.3Å
118D97.1Very high98.2Very high30 Ų3030.5 Ų30.516%0.1616%0.161CC..  trans-119.95.4-173.464.25.5000113.6H96 T116 L122H96-D118 IonicContact CE1-OD2 3.18Å; H96-D118 IonicContact ND1-OD2 3.15Å; T116-D118 PolarHBondContact O-N 3.14Å; D118-L122 WeakPolarHBondContact OD1-CD2 3.47Å
119S97.7Very high98.2Very high35 Ų3531 Ų3125%0.24516%0.164CC..SBendtrans-164.3154.8179.658.40000112.9K121 L122 A123S119-K121 VanDerWaalsContact C-N 3.27Å; S119-K121 PolarHBondContact O-N 3.49Å; S119-L122 PolarHBondContact O-N 3.33Å; S119-L122 VanDerWaalsContact O-N 3.14Å; S119-L122 VanDerWaalsContact OG-CB 3.3Å; S119-L122 WeakPolarHBondContact OG-CB 3.36Å; S119-L122 PolarHBondContact OG-N 3.46Å; S119-A123 PolarHBondContact O-N 3.3Å
120V98.1Very high98.2Very high51 Ų5129.8 Ų29.831%0.30916%0.155SC..Hα-helixtrans-52.5-46169.6167.70000111.4L122 A123 D124 V164 H167V120-L122 VanDerWaalsContact C-N 3.28Å; V120-L122 PolarHBondContact O-N 3.15Å; V120-A123 WeakPolarHBondContact O-CB 3.05Å; V120-A123 PolarHBondContact O-N 3.15Å; V120-D124 PolarHBondContact O-N 3.47Å; V120-V164 HydrophobicContact CG2-CG2 4.18Å; V120-H167 HydrophobicContact CG2-CB 4.12Å
121K97.9Very high98.2Very high146 Ų14631.9 Ų31.964%0.63516%0.162SC*.Hα-helixtrans-62.2-35-179.3-64.4178.7-176.5171.70112.4S119 K125S119-K121 VanDerWaalsContact C-N 3.27Å; S119-K121 PolarHBondContact O-N 3.49Å; K121-K125 WeakPolarHBondContact O-CB 3.28Å; K121-K125 PolarHBondContact O-N 3.39Å
122L98.4Very high98.1Very high2 Ų239.7 Ų39.71%0.0120%0.195CC..Hα-helixtrans-73-45.3175.4-178.159.6000110.4L97 V102 D118 S119 V120 D124 K125 V126L97-L122 HydrophobicContact CB-CD1 4.49Å; L97-L122 HydrophobicContact CB-CD2 4.28Å; L97-L122 HydrophobicContact CD2-CD1 4.11Å; L97-L122 HydrophobicContact CG-CD1 4.15Å; V102-L122 HydrophobicContact CG2-CD1 3.81Å; D118-L122 WeakPolarHBondContact OD1-CD2 3.47Å; S119-L122 PolarHBondContact O-N 3.33Å; S119-L122 VanDerWaalsContact O-N 3.14Å; S119-L122 VanDerWaalsContact OG-CB 3.3Å; S119-L122 WeakPolarHBondContact OG-CB 3.36Å; S119-L122 PolarHBondContact OG-N 3.46Å; V120-L122 VanDerWaalsContact C-N 3.28Å; V120-L122 PolarHBondContact O-N 3.15Å; L122-D124 PolarHBondContact O-N 3.47Å; L122-K125 PolarHBondContact O-N 2.88Å; L122-K125 VanDerWaalsContact O-N 3.16Å; L122-V126 HydrophobicContact CD1-CG2 4.05Å; L122-V126 HydrophobicContact CG-CG2 4.27Å; L122-V126 VanDerWaalsContact O-CG2 3.28Å; L122-V126 WeakPolarHBondContact O-CG2 3.41Å; L122-V126 PolarHBondContact O-N 2.84Å
123A98.6Very high97.8Very high0 Ų041.9 Ų41.90%021%0.205CC..Hα-helixtrans-54.5-48.8175.800000112.1V117 S119 V120 K125 V126 N127 I168V117-A123 HydrophobicContact CG1-CB 3.97Å; S119-A123 PolarHBondContact O-N 3.3Å; V120-A123 WeakPolarHBondContact O-CB 3.05Å; V120-A123 PolarHBondContact O-N 3.15Å; A123-K125 VanDerWaalsContact C-N 3.3Å; A123-K125 PolarHBondContact O-N 2.77Å; A123-V126 PolarHBondContact O-N 2.85Å; A123-N127 VanDerWaalsContact O-CB 3.3Å; A123-N127 WeakPolarHBondContact O-CB 3.41Å; A123-N127 PolarHBondContact O-N 3.47Å; A123-I168 HydrophobicContact CB-CD1 4.45Å; A123-I168 HydrophobicContact CB-CG1 3.88Å
124D98.6Very high97.4Very high58 Ų5844.8 Ų44.831%0.3123%0.234SC..Hα-helixtrans-58.9-41.9177.7-73.8-27.4000112.6V120 L122 S128 H167V120-D124 PolarHBondContact O-N 3.47Å; L122-D124 PolarHBondContact O-N 3.47Å; D124-S128 WeakPolarHBondContact O-CB 3.36Å; D124-S128 PolarHBondContact O-N 2.67Å; D124-S128 PolarHBondContact O-OG 3.3Å; D124-H167 IonicContact OD1-CD2 3.61Å; D124-H167 IonicContact OD1-CE1 3.64Å; D124-H167 PolarHBondContact OD1-CE1 2.78Å; D124-H167 IonicContact OD1-NE2 3.57Å; D124-H167 PolarHBondContact OD1-NE2 2.85Å; D124-H167 IonicContact OD2-CE1 3.49Å; D124-H167 IonicContact OD2-NE2 2.71Å
125K98.4Very high96.9Very high80 Ų8046.8 Ų46.835%0.34825%0.248SC..Hα-helixtrans-68.6-42.4-179.5-17958.9-179.7-178.80111.3V102 K121 L122 A123 S129V102-K125 HydrophobicContact CB-CG 4.04Å; V102-K125 HydrophobicContact CG1-CG 4.04Å; V102-K125 HydrophobicContact CG2-CG 3.9Å; K121-K125 WeakPolarHBondContact O-CB 3.28Å; K121-K125 PolarHBondContact O-N 3.39Å; L122-K125 PolarHBondContact O-N 2.88Å; L122-K125 VanDerWaalsContact O-N 3.16Å; A123-K125 VanDerWaalsContact C-N 3.3Å; A123-K125 PolarHBondContact O-N 2.77Å; K125-S129 VanDerWaalsContact O-CB 3.27Å; K125-S129 WeakPolarHBondContact O-CB 3.44Å; K125-S129 PolarHBondContact O-N 2.7Å
126V98.6Very high96.5Very high0 Ų053.1 Ų53.10%029%0.289CS..Hα-helixtrans-65.7-47.8176.5178.70000109.8L97 V102 M106 L114 L122 A123 S128 S129 W130 L139 L175L97-V126 HydrophobicContact CD2-CG2 4.04Å; V102-V126 HydrophobicContact CG1-CB 4.42Å; V102-V126 HydrophobicContact CG1-CG2 3.93Å; V102-V126 HydrophobicContact CG2-CG2 4.21Å; M106-V126 HydrophobicContact CE-CG1 4.13Å; M106-V126 HydrophobicContact SD-CG1 3.88Å; L114-V126 HydrophobicContact CD2-CB 4.46Å; L114-V126 HydrophobicContact CD2-CG1 3.91Å; L114-V126 HydrophobicContact CD2-CG2 3.77Å; L122-V126 HydrophobicContact CD1-CG2 4.05Å; L122-V126 HydrophobicContact CG-CG2 4.27Å; L122-V126 VanDerWaalsContact O-CG2 3.28Å; L122-V126 WeakPolarHBondContact O-CG2 3.41Å; L122-V126 PolarHBondContact O-N 2.84Å; A123-V126 PolarHBondContact O-N 2.85Å; V126-S128 PolarHBondContact O-N 3.48Å; V126-S129 PolarHBondContact O-N 2.67Å; V126-W130 WeakPolarHBondContact O-CB 3.49Å; V126-W130 PolarHBondContact O-N 3.02Å; V126-L139 HydrophobicContact CG1-CD2 3.78Å; V126-L175 HydrophobicContact CB-CD1 4.39Å; V126-L175 HydrophobicContact CB-CD2 4.48Å; V126-L175 HydrophobicContact CG1-CD1 4.38Å; V126-L175 HydrophobicContact CG1-CD2 3.74Å
127N98.6Very high96.3Very high11 Ų1160.2 Ų60.26%0.05932%0.323CS..Hα-helixtrans-54.5-52.8176.6177.571.1000111.7A123 S129 W130 Q131 C172 P173 S174 L175A123-N127 VanDerWaalsContact O-CB 3.3Å; A123-N127 WeakPolarHBondContact O-CB 3.41Å; A123-N127 PolarHBondContact O-N 3.47Å; N127-S129 VanDerWaalsContact C-N 3.28Å; N127-S129 PolarHBondContact O-N 2.77Å; N127-W130 PolarHBondContact O-N 2.73Å; N127-Q131 WeakPolarHBondContact O-CB 3.33Å; N127-Q131 PolarHBondContact O-N 2.92Å; N127-C172 HydrophobicContact CB-CB 3.84Å; N127-C172 VanDerWaalsContact CG-CA 3.48Å; N127-C172 WeakPolarHBondContact OD1-CA 3.4Å; N127-P173 WeakPolarHBondContact OD1-CD 3.07Å; N127-S174 WeakPolarHBondContact OD1-CA 3.4Å; N127-S174 VanDerWaalsContact OD1-CB 3.25Å; N127-S174 WeakPolarHBondContact OD1-CB 3.32Å; N127-S174 PolarHBondContact OD1-N 2.82Å; N127-L175 HydrophobicContact CB-CD1 3.9Å; N127-L175 HydrophobicContact CB-CD2 4.46Å; N127-L175 HydrophobicContact CB-CG 3.87Å
128S98.1Very high96.3Very high52 Ų5265.7 Ų65.736%0.36434%0.343SS..Hα-helixtrans-63.3-34.3-179.3-57.10000112.7D124 V126 K132D124-S128 WeakPolarHBondContact O-CB 3.36Å; D124-S128 PolarHBondContact O-N 2.67Å; D124-S128 PolarHBondContact O-OG 3.3Å; V126-S128 PolarHBondContact O-N 3.48Å; S128-K132 VanDerWaalsContact O-CG 3.27Å; S128-K132 WeakPolarHBondContact O-CG 3.46Å; S128-K132 PolarHBondContact O-N 3.15Å
129S97.9Very high96.3Very high10 Ų1064.3 Ų64.37%0.0734%0.336CS..Hα-helixtrans-75.9-41.7179.4-166.30000111.7N103 M106 K125 V126 N127 K132 K133N103-S129 PolarHBondContact OD1-OG 2.97Å; M106-S129 VanDerWaalsContact CG-OG 3.31Å; M106-S129 WeakPolarHBondContact CG-OG 3.43Å; K125-S129 VanDerWaalsContact O-CB 3.27Å; K125-S129 WeakPolarHBondContact O-CB 3.44Å; K125-S129 PolarHBondContact O-N 2.7Å; V126-S129 PolarHBondContact O-N 2.67Å; N127-S129 VanDerWaalsContact C-N 3.28Å; N127-S129 PolarHBondContact O-N 2.77Å; S129-K132 PolarHBondContact O-N 3.34Å; S129-K133 PolarHBondContact O-N 2.82Å; S129-K133 VanDerWaalsContact O-N 3.12Å
130W97.8Very high96.4Very high13 Ų1365.6 Ų65.65%0.04934%0.337CS..Hα-helixtrans-64.5-40175-164.5-105.6000112M106 L111 V126 N127 K132 K133 G134 E137 L139 S174M106-W130 HydrophobicContact CB-CE3 4.22Å; M106-W130 HydrophobicContact CG-CE3 4.28Å; M106-W130 HydrophobicContact SD-CB 4.13Å; M106-W130 HydrophobicContact SD-CD2 4.33Å; M106-W130 HydrophobicContact SD-CE3 3.48Å; M106-W130 HydrophobicContact SD-CZ3 4.22Å; L111-W130 HydrophobicContact CD2-CZ3 3.97Å; V126-W130 WeakPolarHBondContact O-CB 3.49Å; V126-W130 PolarHBondContact O-N 3.02Å; N127-W130 PolarHBondContact O-N 2.73Å; W130-K132 VanDerWaalsContact C-N 3.33Å; W130-K132 PolarHBondContact O-N 2.94Å; W130-K133 HydrophobicContact CD2-CD 4.48Å; W130-K133 HydrophobicContact CE3-CD 3.88Å; W130-K133 HydrophobicContact CH2-CD 4.35Å; W130-K133 HydrophobicContact CZ3-CD 3.83Å; W130-K133 VanDerWaalsContact O-CB 3.3Å; W130-K133 WeakPolarHBondContact O-CB 3.31Å; W130-K133 PolarHBondContact O-N 3.28Å; W130-K133 VanDerWaalsContact O-N 3.16Å; W130-G134 PolarHBondContact O-N 2.93Å; W130-E137 PolarHBondContact NE1-O 3.46Å; W130-L139 HydrophobicContact CD2-CB 3.75Å; W130-L139 HydrophobicContact CD2-CD2 4.33Å; W130-L139 HydrophobicContact CE3-CB 4.3Å; W130-L139 HydrophobicContact CE3-CD2 4.13Å; W130-L139 HydrophobicContact CG-CB 3.97Å; W130-L139 HydrophobicContact CH2-CB 4.49Å; W130-L139 HydrophobicContact CH2-CD1 4.03Å; W130-L139 HydrophobicContact CZ2-CB 4.03Å; W130-L139 HydrophobicContact CZ2-CD1 4.27Å; W130-L139 HydrophobicContact CZ3-CD1 4.26Å; W130-L139 HydrophobicContact CZ3-CD2 4.4Å; W130-S174 VanDerWaalsContact CD1-O 3.26Å
131Q95.8Very high96.4Very high120 Ų12063.1 Ų63.156%0.56132%0.322SS*.Hα-helixtrans-59.1-43.6174-167.6177.717.300111.9N127 K133 G134 S174N127-Q131 WeakPolarHBondContact O-CB 3.33Å; N127-Q131 PolarHBondContact O-N 2.92Å; Q131-K133 VanDerWaalsContact C-N 3.29Å; Q131-K133 PolarHBondContact O-N 2.99Å; Q131-G134 PolarHBondContact O-N 2.89Å; Q131-S174 WeakPolarHBondContact CB-OG 3.39Å
132K96.2Very high96.5Very high179 Ų17956.2 Ų56.278%0.77829%0.292SS*.Hα-helixtrans-65.9-28.9177.4-74173.9-175.8-171.70113.4S128 S129 W130 G134S128-K132 VanDerWaalsContact O-CG 3.27Å; S128-K132 WeakPolarHBondContact O-CG 3.46Å; S128-K132 PolarHBondContact O-N 3.15Å; S129-K132 PolarHBondContact O-N 3.34Å; W130-K132 VanDerWaalsContact C-N 3.33Å; W130-K132 PolarHBondContact O-N 2.94Å; K132-G134 PolarHBondContact O-N 2.99Å
133K93.3Very high96.5Very high93 Ų9356.1 Ų56.140%0.40429%0.292SS..Hα-helixtrans-63.6-24.9172.9-174-175.2-179.1174.10111.6M106 S129 W130 Q131 S135M106-K133 VanDerWaalsContact O-CD 3.23Å; M106-K133 WeakPolarHBondContact O-CD 3.19Å; M106-K133 WeakPolarHBondContact O-CE 3.49Å; M106-K133 PolarHBondContact O-NZ 2.54Å; S129-K133 PolarHBondContact O-N 2.82Å; S129-K133 VanDerWaalsContact O-N 3.12Å; W130-K133 HydrophobicContact CD2-CD 4.48Å; W130-K133 HydrophobicContact CE3-CD 3.88Å; W130-K133 HydrophobicContact CH2-CD 4.35Å; W130-K133 HydrophobicContact CZ3-CD 3.83Å; W130-K133 VanDerWaalsContact O-CB 3.3Å; W130-K133 WeakPolarHBondContact O-CB 3.31Å; W130-K133 PolarHBondContact O-N 3.28Å; W130-K133 VanDerWaalsContact O-N 3.16Å; Q131-K133 VanDerWaalsContact C-N 3.29Å; Q131-K133 PolarHBondContact O-N 2.99Å; K133-S135 VanDerWaalsContact C-N 3.33Å
134G90.2Very high96.5Very high60 Ų6056.3 Ų56.362%0.61929%0.293SS*.THydrogen-bonded Turntrans73.123.7179.600000113.7W130 Q131 K132W130-G134 PolarHBondContact O-N 2.93Å; Q131-G134 PolarHBondContact O-N 2.89Å; K132-G134 PolarHBondContact O-N 2.99Å
135S89Confident96.5Very high42 Ų4253.6 Ų53.629%0.29428%0.278SS..  trans-65.2132.1174.6179.80000110.1K133 E137K133-S135 VanDerWaalsContact C-N 3.33Å; S135-E137 VanDerWaalsContact C-N 3.29Å; S135-E137 PolarHBondContact OG-N 2.92Å; S135-E137 PolarHBondContact OG-O 3.37Å; S135-E137 VanDerWaalsContact OG-O 3.13Å
136P88.7Confident96.4Very high133 Ų13350.9 Ų50.986%0.86427%0.267SS*.SBendtrans-71-27175.829-34.1000112.2
137E95.1Very high96.3Very high150 Ų15051.6 Ų51.670%0.70127%0.272SS*.SBendtrans-89.2143.6177.6-61.9-173.5164.200111.5W130 S135W130-E137 PolarHBondContact NE1-O 3.46Å; S135-E137 VanDerWaalsContact C-N 3.29Å; S135-E137 PolarHBondContact OG-N 2.92Å; S135-E137 PolarHBondContact OG-O 3.37Å; S135-E137 VanDerWaalsContact OG-O 3.13Å
138R98Very high96Very high114 Ų11452.4 Ų52.443%0.4328%0.278SS..PPolyproline II helixtrans-70.2140.8171-67.4169.670.2-164.48.8109.8K140 P173 S174 L175 E176R138-K140 PolarHBondContact O-N 3.4Å; R138-P173 WeakPolarHBondContact CG-O 3.3Å; R138-P173 PolarHBondContact NE-O 3.01Å; R138-S174 CarbonylContact C-O 3.47Å; R138-S174 VanDerWaalsContact CA-O 3.31Å; R138-S174 WeakPolarHBondContact CA-O 3.5Å; R138-L175 PolarHBondContact NE-O 3.35Å; R138-L175 PolarHBondContact NH2-O 3.18Å; R138-E176 HydrophobicContact CB-CB 3.91Å
139L98.6Very high95.5Very high2 Ų253 Ų531%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-75.2124.5173.2178.161.5000109.6M106 L111 L114 V126 W130 V141 S174 L175 E176M106-L139 HydrophobicContact CE-CD2 3.9Å; M106-L139 HydrophobicContact SD-CD2 3.88Å; L111-L139 HydrophobicContact CD2-CD1 4.05Å; L111-L139 HydrophobicContact CD2-CD2 4.3Å; L111-L139 HydrophobicContact CG-CD1 4.07Å; L114-L139 HydrophobicContact CB-CD2 4.36Å; V126-L139 HydrophobicContact CG1-CD2 3.78Å; W130-L139 HydrophobicContact CD2-CB 3.75Å; W130-L139 HydrophobicContact CD2-CD2 4.33Å; W130-L139 HydrophobicContact CE3-CB 4.3Å; W130-L139 HydrophobicContact CE3-CD2 4.13Å; W130-L139 HydrophobicContact CG-CB 3.97Å; W130-L139 HydrophobicContact CH2-CB 4.49Å; W130-L139 HydrophobicContact CH2-CD1 4.03Å; W130-L139 HydrophobicContact CZ2-CB 4.03Å; W130-L139 HydrophobicContact CZ2-CD1 4.27Å; W130-L139 HydrophobicContact CZ3-CD1 4.26Å; W130-L139 HydrophobicContact CZ3-CD2 4.4Å; L139-V141 HydrophobicContact CD2-CG1 4.49Å; L139-V141 HydrophobicContact CG-CG1 4.29Å; L139-V141 PolarHBondContact O-N 3.21Å; L139-S174 PolarHBondContact N-O 2.94Å; L139-L175 HydrophobicContact CB-CD2 3.98Å; L139-L175 HydrophobicContact CD2-CD2 4.38Å; L139-L175 CarbonylContact O-C 3.53Å; L139-L175 WeakPolarHBondContact O-CA 3.15Å; L139-E176 PolarHBondContact O-N 2.76Å
140K98.8Very high95Very high61 Ų6156.3 Ų56.327%0.26531%0.307SS..EExtended strand (participates in β ladder)trans-68.8129.4173.2-65.6175.6179.4168.70110.2F112 M113 L114 R138 E176 V178F112-K140 HydrophobicContact CE1-CD 4.12Å; F112-K140 HydrophobicContact CZ-CD 4.07Å; M113-K140 WeakPolarHBondContact CA-O 3.46Å; M113-K140 HydrophobicContact CB-CB 4.42Å; M113-K140 HydrophobicContact CE-CB 4.15Å; M113-K140 HydrophobicContact CE-CD 4.26Å; M113-K140 HydrophobicContact CG-CB 4.15Å; L114-K140 PolarHBondContact N-O 3.17Å; R138-K140 PolarHBondContact O-N 3.4Å; K140-E176 CarbonylContact C-O 3.51Å; K140-E176 WeakPolarHBondContact CA-O 3.26Å; K140-E176 HydrophobicContact CG-CB 4.48Å; K140-V178 HydrophobicContact CB-CG1 3.96Å; K140-V178 HydrophobicContact CB-CG2 4.11Å; K140-V178 HydrophobicContact CD-CG1 4.17Å; K140-V178 HydrophobicContact CG-CG1 3.81Å
141V98.8Very high94.3Very high0 Ų065.1 Ų65.10%035%0.349CS..EExtended strand (participates in β ladder)trans-127.6139.2179-59.40000111.3L114 V117 L139 I168 L175 E176 V178L114-V141 HydrophobicContact CB-CG1 4.3Å; L114-V141 CarbonylContact O-C 3.5Å; L114-V141 VanDerWaalsContact O-CA 3.25Å; L114-V141 WeakPolarHBondContact O-CA 3.32Å; V117-V141 HydrophobicContact CG2-CB 3.98Å; V117-V141 HydrophobicContact CG2-CG1 4.16Å; L139-V141 HydrophobicContact CD2-CG1 4.49Å; L139-V141 HydrophobicContact CG-CG1 4.29Å; L139-V141 PolarHBondContact O-N 3.21Å; V141-I168 HydrophobicContact CG2-CD1 4.36Å; V141-I168 HydrophobicContact CG2-CG2 4.14Å; V141-L175 HydrophobicContact CG1-CB 4.31Å; V141-L175 HydrophobicContact CG1-CD1 4.25Å; V141-L175 HydrophobicContact CG1-CD2 4.12Å; V141-L175 HydrophobicContact CG1-CG 4.46Å; V141-L175 HydrophobicContact CG2-CB 4.17Å; V141-E176 PolarHBondContact N-O 2.85Å; V141-V178 WeakPolarHBondContact O-CG2 3.32Å; V141-V178 PolarHBondContact O-N 3.11Å
142M98.9Very high93.7Very high0 Ų064.2 Ų64.20%036%0.356CS..EExtended strand (participates in β ladder)trans-108.9153.4163-55.7178.7171.500110.2M113 L114 E115 V117 V178 G179 M181 E220 S222 N239M113-M142 HydrophobicContact CE-CE 4.09Å; M113-M142 HydrophobicContact SD-CE 3.36Å; M113-M142 WeakPolarHBondContact SD-CE 3.31Å; M113-M142 HydrophobicContact SD-CG 4.05Å; M113-M142 HydrophobicContact SD-SD 3.98Å; L114-M142 PolarHBondContact O-N 2.97Å; E115-M142 CarbonylContact C-O 3.58Å; E115-M142 HydrophobicContact CB-CB 4.34Å; E115-M142 HydrophobicContact CB-SD 4.29Å; E115-M142 HydrophobicContact CG-CG 4.38Å; E115-M142 HydrophobicContact CG-SD 3.85Å; V117-M142 WeakPolarHBondContact CB-O 3.38Å; V117-M142 PolarHBondContact N-O 2.95Å; M142-V178 HydrophobicContact CE-CG2 4.24Å; M142-V178 HydrophobicContact CG-CG2 3.86Å; M142-G179 CarbonylContact C-O 3.59Å; M142-G179 WeakPolarHBondContact CA-O 3.25Å; M142-G179 VanDerWaalsContact CB-O 3.3Å; M142-G179 WeakPolarHBondContact CB-O 3.38Å; M142-M181 HydrophobicContact CB-CB 4.29Å; M142-M181 HydrophobicContact SD-CB 4.49Å; M142-E220 HydrophobicContact CE-CB 3.74Å; M142-E220 WeakPolarHBondContact CE-OE2 3.4Å; M142-S222 WeakPolarHBondContact SD-CB 3.2Å; M142-N239 WeakPolarHBondContact CE-ND2 3.38Å
143V98.7Very high93.1Very high0 Ų057.2 Ų57.20%033%0.325CS..EExtended strand (participates in β ladder)trans-96.5122.9177177.60000109.3V117 I145 L156 V164 V165 I168 F177 G179 L180 M181V117-V143 CarbonylContact O-C 3.57Å; V117-V143 VanDerWaalsContact O-CA 3.31Å; V117-V143 WeakPolarHBondContact O-CA 3.3Å; V143-I145 HydrophobicContact CG1-CD1 3.78Å; V143-L156 HydrophobicContact CG1-CD1 4.48Å; V143-L156 HydrophobicContact CG1-CD2 3.23Å; V143-L156 HydrophobicContact CG1-CG 4.17Å; V143-V164 HydrophobicContact CG1-CG1 4.29Å; V143-V164 HydrophobicContact CG2-CG1 4.26Å; V143-V165 HydrophobicContact CG2-CG2 3.93Å; V143-I168 HydrophobicContact CG2-CD1 3.71Å; V143-F177 HydrophobicContact CB-CE2 4.39Å; V143-F177 HydrophobicContact CG2-CD2 4.01Å; V143-F177 HydrophobicContact CG2-CE2 3.86Å; V143-G179 PolarHBondContact N-O 3.39Å; V143-L180 HydrophobicContact CB-CD2 4.06Å; V143-L180 CarbonylContact O-C 3.56Å; V143-L180 WeakPolarHBondContact O-CA 3.36Å; V143-M181 PolarHBondContact O-N 3.39Å
144Q98.6Very high93Very high4 Ų457 Ų572%0.01933%0.326CS..EExtended strand (participates in β ladder)trans-86.5124179.9179.8177.7-10.600111.2V117 H154 G155 L156 M181V117-Q144 PolarHBondContact O-N 3.43Å; Q144-H154 PolarHBondContact NE2-O 3.34Å; Q144-G155 CarbonylContact O-C 3.56Å; Q144-G155 WeakPolarHBondContact O-CA 3.45Å; Q144-L156 WeakPolarHBondContact O-CG 3.31Å; Q144-L156 PolarHBondContact O-N 2.67Å; Q144-M181 CarbonylContact C-O 3.57Å; Q144-M181 WeakPolarHBondContact CA-O 3.07Å; Q144-M181 HydrophobicContact CB-CE 3.87Å; Q144-M181 VanDerWaalsContact CD-CE 3.49Å; Q144-M181 HydrophobicContact CG-CE 3.59Å; Q144-M181 HydrophobicContact CG-SD 4.11Å
145I98.3Very high93.2Very high1 Ų155.1 Ų55.11%0.00531%0.306CS..BIsolated β-bridgetrans-107.9134.6-179.9-47.3-54.2000109.6V143 T147 L156 P158 T161 M181 T182 L201 L204V143-I145 HydrophobicContact CG1-CD1 3.78Å; I145-T147 HydrophobicContact CB-CG2 4.24Å; I145-T147 HydrophobicContact CG2-CG2 3.98Å; I145-T147 PolarHBondContact O-N 2.84Å; I145-L156 HydrophobicContact CD1-CD1 3.5Å; I145-L156 VanDerWaalsContact CD1-CD1 3.5Å; I145-L156 HydrophobicContact CD1-CD2 4.29Å; I145-L156 HydrophobicContact CD1-CG 3.76Å; I145-P158 HydrophobicContact CG2-CG 4.07Å; I145-T161 HydrophobicContact CD1-CG2 3.88Å; I145-T161 VanDerWaalsContact CD1-OG1 3.31Å; I145-T161 WeakPolarHBondContact CD1-OG1 3.36Å; I145-M181 PolarHBondContact N-O 3.48Å; I145-T182 PolarHBondContact O-OG1 3.35Å; I145-L201 HydrophobicContact CB-CD1 4.11Å; I145-L201 HydrophobicContact CG1-CD1 3.87Å; I145-L204 HydrophobicContact CG1-CD1 4.36Å; I145-L204 HydrophobicContact CG2-CD1 3.76Å
146N97.3Very high93.5Very high23 Ų2353.2 Ų53.212%0.12329%0.293CS..  trans-83.288.5166.1-175.4-1.5000109.4S148 G149 E150 K153 L156N146-S148 VanDerWaalsContact C-N 3.31Å; N146-S148 PolarHBondContact OD1-N 3.18Å; N146-S148 PolarHBondContact OD1-OG 3.02Å; N146-G149 PolarHBondContact OD1-N 2.86Å; N146-E150 PolarHBondContact ND2-O 3.02Å; N146-K153 PolarHBondContact ND2-O 2.93Å; N146-L156 PolarHBondContact N-O 2.94Å
147T96.2Very high93.8Very high15 Ų1549.5 Ų49.59%0.09227%0.268CS..  trans-76.3-20178.255.50000113.3I145 T182 D197 L200 L201I145-T147 HydrophobicContact CB-CG2 4.24Å; I145-T147 HydrophobicContact CG2-CG2 3.98Å; I145-T147 PolarHBondContact O-N 2.84Å; T147-T182 HydrophobicContact CG2-CG2 4.22Å; T147-T182 PolarHBondContact OG1-OG1 3.12Å; T147-D197 VanDerWaalsContact CB-OD1 3.27Å; T147-D197 WeakPolarHBondContact CB-OD1 3.18Å; T147-D197 VanDerWaalsContact OG1-CB 3.29Å; T147-D197 WeakPolarHBondContact OG1-CB 3.32Å; T147-D197 PolarHBondContact OG1-OD1 3.16Å; T147-L200 HydrophobicContact CG2-CB 4.39Å; T147-L200 HydrophobicContact CG2-CD2 4.11Å; T147-L200 HydrophobicContact CG2-CG 4.19Å; T147-L201 HydrophobicContact CG2-CB 4.42Å; T147-L201 HydrophobicContact CG2-CD1 4.24Å
148S91.8Very high93.9Very high28 Ų2844.3 Ų44.320%0.19625%0.247CC..SBendtrans-82.2-18.8-174.463.70000114.3N146 E150 K153 S185 D197N146-S148 VanDerWaalsContact C-N 3.31Å; N146-S148 PolarHBondContact OD1-N 3.18Å; N146-S148 PolarHBondContact OD1-OG 3.02Å; S148-E150 PolarHBondContact O-N 3.32Å; S148-E150 PolarHBondContact OG-N 3.26Å; S148-K153 WeakPolarHBondContact OG-CD 3.48Å; S148-K153 PolarHBondContact OG-NZ 3.43Å; S148-S185 WeakPolarHBondContact CB-OG 3.4Å; S148-D197 VanDerWaalsContact CA-OD1 3.24Å; S148-D197 WeakPolarHBondContact CA-OD1 3.07Å; S148-D197 PolarHBondContact N-OD1 3Å
149G88.2Confident93.9Very high65 Ų6544.1 Ų44.167%0.6726%0.264SS*.  trans71.9-2.9-174.400000115.1N146 E151N146-G149 PolarHBondContact OD1-N 2.86Å; G149-E151 PolarHBondContact O-N 3.4Å
150E87.1Confident93.8Very high79 Ų7948.8 Ų48.837%0.36929%0.285SS..  trans-70.4122.8176.3-66.1174-130.800110.9N146 S148 S152 K153N146-E150 PolarHBondContact ND2-O 3.02Å; S148-E150 PolarHBondContact O-N 3.32Å; S148-E150 PolarHBondContact OG-N 3.26Å; E150-S152 PolarHBondContact O-N 3.31Å; E150-S152 VanDerWaalsContact O-N 3.11Å; E150-K153 HydrophobicContact CB-CG 4.25Å; E150-K153 VanDerWaalsContact CD-CE 3.46Å; E150-K153 PolarHBondContact O-N 3.44Å; E150-K153 VanDerWaalsContact O-N 3.07Å; E150-K153 WeakPolarHBondContact OE1-CE 3.42Å; E150-K153 IonicContact OE1-NZ 3.47Å; E150-K153 PolarHBondContact OE1-NZ 3.35Å; E150-K153 VanDerWaalsContact OE2-CE 3.24Å; E150-K153 WeakPolarHBondContact OE2-CE 3.3Å; E150-K153 IonicContact OE2-NZ 3.47Å
151E82.6Confident93.7Very high199 Ų19946 Ų4693%0.9327%0.273SS*.THydrogen-bonded Turntrans-59.9-24.3179.5-64.2-172.4163.300113.4G149 K153G149-E151 PolarHBondContact O-N 3.4Å; E151-K153 PolarHBondContact O-N 3.04Å
152S82.4Confident93.6Very high101 Ų10147.3 Ų47.371%0.70628%0.28SS*.THydrogen-bonded Turntrans-73.6-11.9179.472.30000114E150E150-S152 PolarHBondContact O-N 3.31Å; E150-S152 VanDerWaalsContact O-N 3.11Å
153K84.3Confident93.6Very high31 Ų3150 Ų5014%0.13530%0.303CS..SBendtrans-100.3142.1-177.8-64.6-163.9-158.3138.10112.3N146 S148 E150 E151 G184 S185N146-K153 PolarHBondContact ND2-O 2.93Å; S148-K153 WeakPolarHBondContact OG-CD 3.48Å; S148-K153 PolarHBondContact OG-NZ 3.43Å; E150-K153 HydrophobicContact CB-CG 4.25Å; E150-K153 VanDerWaalsContact CD-CE 3.46Å; E150-K153 PolarHBondContact O-N 3.44Å; E150-K153 VanDerWaalsContact O-N 3.07Å; E150-K153 WeakPolarHBondContact OE1-CE 3.42Å; E150-K153 IonicContact OE1-NZ 3.47Å; E150-K153 PolarHBondContact OE1-NZ 3.35Å; E150-K153 VanDerWaalsContact OE2-CE 3.24Å; E150-K153 WeakPolarHBondContact OE2-CE 3.3Å; E150-K153 IonicContact OE2-NZ 3.47Å; E151-K153 PolarHBondContact O-N 3.04Å; K153-G184 WeakPolarHBondContact CE-O 3.37Å; K153-G184 PolarHBondContact NZ-O 2.93Å; K153-S185 VanDerWaalsContact NZ-CA 3.33Å
154H91.3Very high93.6Very high90 Ų9050.2 Ų50.242%0.41730%0.304SS..  trans-75.9159.7174.3-58.1-68.1000112.1H96 Q144H96-H154 AromaticContact CD2-CE1 3.55Å; H96-H154 AromaticContact CD2-ND1 3.96Å; H96-H154 AromaticContact CD2-NE2 3.81Å; H96-H154 AromaticContact CE1-CE1 3.87Å; H96-H154 AromaticContact CE1-ND1 3.55Å; H96-H154 AromaticContact CG-CD2 3.71Å; H96-H154 AromaticContact CG-CE1 3.57Å; H96-H154 AromaticContact CG-CG 3.74Å; H96-H154 AromaticContact CG-ND1 3.67Å; H96-H154 AromaticContact CG-NE2 3.59Å; H96-H154 AromaticContact ND1-CD2 3.99Å; H96-H154 AromaticContact ND1-CE1 3.77Å; H96-H154 AromaticContact ND1-CG 3.53Å; H96-H154 AromaticContact ND1-ND1 3.4Å; H96-H154 PolarHBondContact ND1-ND1 2.98Å; H96-H154 AromaticContact NE2-CE1 3.77Å; H96-H154 AromaticContact NE2-ND1 3.92Å; Q144-H154 PolarHBondContact NE2-O 3.34Å
155G94.2Very high93.6Very high19 Ų1950 Ų5020%0.19630%0.303CS..SBendtrans119.8154.1-176.300000110.7Q144Q144-G155 CarbonylContact O-C 3.56Å; Q144-G155 WeakPolarHBondContact O-CA 3.45Å
156L95.3Very high93.6Very high3 Ų354 Ų542%0.01632%0.322CS..BIsolated β-bridgetrans-78.6153.3177.159.7100.5000111.4V143 Q144 I145 N146 E160 V164V143-L156 HydrophobicContact CG1-CD1 4.48Å; V143-L156 HydrophobicContact CG1-CD2 3.23Å; V143-L156 HydrophobicContact CG1-CG 4.17Å; Q144-L156 WeakPolarHBondContact O-CG 3.31Å; Q144-L156 PolarHBondContact O-N 2.67Å; I145-L156 HydrophobicContact CD1-CD1 3.5Å; I145-L156 VanDerWaalsContact CD1-CD1 3.5Å; I145-L156 HydrophobicContact CD1-CD2 4.29Å; I145-L156 HydrophobicContact CD1-CG 3.76Å; N146-L156 PolarHBondContact N-O 2.94Å; L156-E160 HydrophobicContact CD1-CB 3.91Å; L156-V164 HydrophobicContact CD2-CB 4.23Å; L156-V164 HydrophobicContact CD2-CG1 4.18Å; L156-V164 HydrophobicContact CD2-CG2 3.97Å
157P96.3Very high93.6Very high55 Ų5555 Ų5536%0.35733%0.326SS..  trans-63.2141.5173.926.8-34.6000110S159 E160P157-S159 PolarHBondContact O-N 3.14Å; P157-E160 HydrophobicContact CG-CB 4.16Å; P157-E160 HydrophobicContact CG-CG 3.79Å; P157-E160 WeakPolarHBondContact CG-OE1 3.46Å; P157-E160 PolarHBondContact O-N 2.94Å
158P96.8Very high93.7Very high40 Ų4054.3 Ų54.326%0.2632%0.321SS..G310 helixtrans-44.3-38.9-178.5-34.537.8000115.1I145 E160 T161 L200 L204I145-P158 HydrophobicContact CG2-CG 4.07Å; P158-E160 PolarHBondContact O-N 3.39Å; P158-T161 WeakPolarHBondContact O-CB 3.37Å; P158-T161 PolarHBondContact O-N 3.2Å; P158-T161 PolarHBondContact O-OG1 2.94Å; P158-L200 HydrophobicContact CG-CD2 3.94Å; P158-L204 HydrophobicContact CB-CD1 3.98Å; P158-L204 HydrophobicContact CB-CD2 4.07Å; P158-L204 HydrophobicContact CG-CD1 4.49Å
159S96.7Very high94Very high110 Ų11056.6 Ų56.677%0.76933%0.331SS*.G310 helixtrans-63-22.218055.50000115.1P157P157-S159 PolarHBondContact O-N 3.14Å
160E97.1Very high94.5Very high100 Ų10057 Ų5747%0.46733%0.329SS..G310 helixtrans-91.3-7-179.3-72.7-178.5-155.100113.2L156 P157 P158 I162 A163 V164L156-E160 HydrophobicContact CD1-CB 3.91Å; P157-E160 HydrophobicContact CG-CB 4.16Å; P157-E160 HydrophobicContact CG-CG 3.79Å; P157-E160 WeakPolarHBondContact CG-OE1 3.46Å; P157-E160 PolarHBondContact O-N 2.94Å; P158-E160 PolarHBondContact O-N 3.39Å; E160-I162 PolarHBondContact O-N 3.23Å; E160-A163 PolarHBondContact O-N 3.46Å; E160-V164 WeakPolarHBondContact O-CG2 3.45Å; E160-V164 PolarHBondContact O-N 2.89Å; E160-V164 VanDerWaalsContact O-N 3.12Å
161T97Very high95Very high2 Ų259.8 Ų59.81%0.01234%0.339CS..Hα-helixtrans-53.9-52.9-171.7-54.90000112.7I145 P158 A163 V164 V165 L180I145-T161 HydrophobicContact CD1-CG2 3.88Å; I145-T161 VanDerWaalsContact CD1-OG1 3.31Å; I145-T161 WeakPolarHBondContact CD1-OG1 3.36Å; P158-T161 WeakPolarHBondContact O-CB 3.37Å; P158-T161 PolarHBondContact O-N 3.2Å; P158-T161 PolarHBondContact O-OG1 2.94Å; T161-A163 PolarHBondContact O-N 2.76Å; T161-V164 PolarHBondContact O-N 3.43Å; T161-V165 WeakPolarHBondContact O-CG2 3.33Å; T161-V165 PolarHBondContact O-N 2.96Å; T161-V165 VanDerWaalsContact O-N 3.11Å; T161-L180 HydrophobicContact CG2-CD1 4.39Å; T161-L180 HydrophobicContact CG2-CD2 3.85Å
162I97.4Very high95.8Very high28 Ų2850.3 Ų50.314%0.14430%0.295CS..Hα-helixtrans-62.9-46.8-175.6-64.6175.4000110.6E160 V164 V165 E166 E207 L208 K211E160-I162 PolarHBondContact O-N 3.23Å; I162-V164 VanDerWaalsContact C-N 3.31Å; I162-V164 PolarHBondContact O-N 3.42Å; I162-V165 PolarHBondContact O-N 3.01Å; I162-E166 HydrophobicContact CG2-CG 4.24Å; I162-E166 WeakPolarHBondContact O-CG 3.47Å; I162-E166 PolarHBondContact O-N 3.44Å; I162-E207 HydrophobicContact CD1-CG 3.93Å; I162-E207 WeakPolarHBondContact CD1-OE1 3.39Å; I162-L208 HydrophobicContact CB-CD1 4.38Å; I162-L208 HydrophobicContact CG1-CD1 3.96Å; I162-K211 HydrophobicContact CD1-CB 4.33Å; I162-K211 HydrophobicContact CD1-CG 4.33Å; I162-K211 HydrophobicContact CG2-CG 3.98Å
163A97.8Very high96.5Very high58 Ų5849.7 Ų49.748%0.47929%0.289SS..Hα-helixtrans-61.3-39.4-17800000112.3E160 T161 H167E160-A163 PolarHBondContact O-N 3.46Å; T161-A163 PolarHBondContact O-N 2.76Å; A163-H167 WeakPolarHBondContact O-CB 3.36Å; A163-H167 PolarHBondContact O-N 2.96Å
164V98.3Very high97.2Very high4 Ų449.1 Ų49.12%0.02429%0.289CS..Hα-helixtrans-67.7-41.8176.7174.10000111.3V120 V143 L156 E160 T161 I162 H167 I168V120-V164 HydrophobicContact CG2-CG2 4.18Å; V143-V164 HydrophobicContact CG1-CG1 4.29Å; V143-V164 HydrophobicContact CG2-CG1 4.26Å; L156-V164 HydrophobicContact CD2-CB 4.23Å; L156-V164 HydrophobicContact CD2-CG1 4.18Å; L156-V164 HydrophobicContact CD2-CG2 3.97Å; E160-V164 WeakPolarHBondContact O-CG2 3.45Å; E160-V164 PolarHBondContact O-N 2.89Å; E160-V164 VanDerWaalsContact O-N 3.12Å; T161-V164 PolarHBondContact O-N 3.43Å; I162-V164 VanDerWaalsContact C-N 3.31Å; I162-V164 PolarHBondContact O-N 3.42Å; V164-H167 WeakPolarHBondContact O-CB 3.4Å; V164-H167 PolarHBondContact O-N 2.86Å; V164-I168 HydrophobicContact CG1-CD1 4.07Å; V164-I168 WeakPolarHBondContact O-CG1 3.34Å; V164-I168 PolarHBondContact O-N 3.42Å
165V98.4Very high97.5Very high0 Ų044.9 Ų44.90%027%0.269CS..Hα-helixtrans-67-42.9177.9176.20000111.5V143 T161 I162 H167 I168 N169 F177 L208 L212V143-V165 HydrophobicContact CG2-CG2 3.93Å; T161-V165 WeakPolarHBondContact O-CG2 3.33Å; T161-V165 PolarHBondContact O-N 2.96Å; T161-V165 VanDerWaalsContact O-N 3.11Å; I162-V165 PolarHBondContact O-N 3.01Å; V165-H167 VanDerWaalsContact C-N 3.27Å; V165-H167 PolarHBondContact O-N 3.11Å; V165-I168 PolarHBondContact O-N 2.82Å; V165-N169 PolarHBondContact O-N 3.45Å; V165-F177 HydrophobicContact CB-CE2 4.48Å; V165-F177 HydrophobicContact CG1-CD1 3.81Å; V165-F177 HydrophobicContact CG1-CD2 4.09Å; V165-F177 HydrophobicContact CG1-CE1 3.86Å; V165-F177 HydrophobicContact CG1-CE2 4.13Å; V165-F177 HydrophobicContact CG1-CG 3.92Å; V165-F177 HydrophobicContact CG1-CZ 4.02Å; V165-F177 HydrophobicContact CG2-CD2 3.97Å; V165-F177 HydrophobicContact CG2-CE2 3.52Å; V165-F177 HydrophobicContact CG2-CZ 3.83Å; V165-L208 HydrophobicContact CB-CD1 3.83Å; V165-L208 HydrophobicContact CG1-CD1 3.96Å; V165-L208 HydrophobicContact CG1-CD2 4.33Å; V165-L208 HydrophobicContact CG2-CD1 3.98Å; V165-L208 HydrophobicContact CG2-CD2 4.11Å; V165-L212 HydrophobicContact CB-CD1 4.3Å; V165-L212 HydrophobicContact CG1-CD1 3.6Å
166E98.3Very high97.7Very high85 Ų8547.3 Ų47.340%0.39728%0.275SS..Hα-helixtrans-56.8-43.6173.1-75.5179150.800111.1I162 N169 A170 L212I162-E166 HydrophobicContact CG2-CG 4.24Å; I162-E166 WeakPolarHBondContact O-CG 3.47Å; I162-E166 PolarHBondContact O-N 3.44Å; E166-N169 PolarHBondContact O-N 3.49Å; E166-A170 VanDerWaalsContact O-CB 3.25Å; E166-A170 WeakPolarHBondContact O-CB 3.42Å; E166-A170 PolarHBondContact O-N 2.95Å; E166-L212 HydrophobicContact CG-CD1 4.46Å; E166-L212 HydrophobicContact CG-CD2 3.56Å
167H98.6Very high97.9Very high44 Ų4448.2 Ų48.220%0.20428%0.279CS..Hα-helixtrans-62.1-46.2175.9-177.189.3000112.3V120 D124 A163 V164 V165 N169 A170 K171V120-H167 HydrophobicContact CG2-CB 4.12Å; D124-H167 IonicContact OD1-CD2 3.61Å; D124-H167 IonicContact OD1-CE1 3.64Å; D124-H167 PolarHBondContact OD1-CE1 2.78Å; D124-H167 IonicContact OD1-NE2 3.57Å; D124-H167 PolarHBondContact OD1-NE2 2.85Å; D124-H167 IonicContact OD2-CE1 3.49Å; D124-H167 IonicContact OD2-NE2 2.71Å; A163-H167 WeakPolarHBondContact O-CB 3.36Å; A163-H167 PolarHBondContact O-N 2.96Å; V164-H167 WeakPolarHBondContact O-CB 3.4Å; V164-H167 PolarHBondContact O-N 2.86Å; V165-H167 VanDerWaalsContact C-N 3.27Å; V165-H167 PolarHBondContact O-N 3.11Å; H167-N169 VanDerWaalsContact C-N 3.35Å; H167-N169 PolarHBondContact O-N 3.47Å; H167-A170 PolarHBondContact O-N 2.92Å; H167-K171 WeakPolarHBondContact O-CA 3.01Å; H167-K171 WeakPolarHBondContact O-CB 3.31Å; H167-K171 PolarHBondContact O-N 2.75Å
168I98.5Very high98Very high0 Ų046.1 Ų46.10%027%0.265CS..Hα-helixtrans-57.9-49.5176.9-69.1164.5000110.1V117 A123 V141 V143 V164 V165 A170 C172 L175 F177V117-I168 HydrophobicContact CG1-CD1 4.3Å; A123-I168 HydrophobicContact CB-CD1 4.45Å; A123-I168 HydrophobicContact CB-CG1 3.88Å; V141-I168 HydrophobicContact CG2-CD1 4.36Å; V141-I168 HydrophobicContact CG2-CG2 4.14Å; V143-I168 HydrophobicContact CG2-CD1 3.71Å; V164-I168 HydrophobicContact CG1-CD1 4.07Å; V164-I168 WeakPolarHBondContact O-CG1 3.34Å; V164-I168 PolarHBondContact O-N 3.42Å; V165-I168 PolarHBondContact O-N 2.82Å; I168-A170 PolarHBondContact O-N 2.84Å; I168-C172 HydrophobicContact CG2-CB 4.33Å; I168-C172 WeakPolarHBondContact O-CA 3.33Å; I168-C172 VanDerWaalsContact O-CB 3.25Å; I168-C172 WeakPolarHBondContact O-CB 3.21Å; I168-C172 PolarHBondContact O-N 2.8Å; I168-L175 HydrophobicContact CG2-CB 4.33Å; I168-F177 HydrophobicContact CG2-CB 4.02Å
169N97.9Very high98.1Very high76 Ų7644.2 Ų44.241%0.40625%0.253SS..Hα-helixtrans-63.9-38.7-178.5-73.3-20.5000112.9V165 E166 H167V165-N169 PolarHBondContact O-N 3.45Å; E166-N169 PolarHBondContact O-N 3.49Å; H167-N169 VanDerWaalsContact C-N 3.35Å; H167-N169 PolarHBondContact O-N 3.47Å
170A98.1Very high98.2Very high74 Ų7439 Ų3961%0.61222%0.216SC*.Hα-helixtrans-87-30.5-17500000114.2E166 H167 I168E166-A170 VanDerWaalsContact O-CB 3.25Å; E166-A170 WeakPolarHBondContact O-CB 3.42Å; E166-A170 PolarHBondContact O-N 2.95Å; H167-A170 PolarHBondContact O-N 2.92Å; I168-A170 PolarHBondContact O-N 2.84Å
171K98.4Very high98.2Very high136 Ų13634.2 Ų34.259%0.59119%0.194SC*.Hα-helixtrans-122-10.7-167.3-56.3-61-179.7-1740114.5H167 P173H167-K171 WeakPolarHBondContact O-CA 3.01Å; H167-K171 WeakPolarHBondContact O-CB 3.31Å; H167-K171 PolarHBondContact O-N 2.75Å; K171-P173 VanDerWaalsContact C-CD 3.45Å; K171-P173 WeakPolarHBondContact O-CD 3.48Å
172C98.4Very high98.3Very high1 Ų134.2 Ų34.21%0.00719%0.194CC..  trans-114.472.1-177.1-59.80000112.4N127 I168 S174 L175N127-C172 HydrophobicContact CB-CB 3.84Å; N127-C172 VanDerWaalsContact CG-CA 3.48Å; N127-C172 WeakPolarHBondContact OD1-CA 3.4Å; I168-C172 HydrophobicContact CG2-CB 4.33Å; I168-C172 WeakPolarHBondContact O-CA 3.33Å; I168-C172 VanDerWaalsContact O-CB 3.25Å; I168-C172 WeakPolarHBondContact O-CB 3.21Å; I168-C172 PolarHBondContact O-N 2.8Å; C172-S174 PolarHBondContact O-N 2.84Å; C172-S174 VanDerWaalsContact O-N 3.11Å; C172-L175 HydrophobicContact CB-CB 3.97Å; C172-L175 HydrophobicContact CB-CD1 3.8Å; C172-L175 HydrophobicContact CB-CG 3.89Å; C172-L175 PolarHBondContact O-N 2.87Å; C172-L175 VanDerWaalsContact O-O 3.07Å
173P97.6Very high98.1Very high88 Ų8835.5 Ų35.557%0.57120%0.201SC*.THydrogen-bonded Turntrans-63.8-21-175.427.6-36.9000113.9N127 R138 K171 L175N127-P173 WeakPolarHBondContact OD1-CD 3.07Å; R138-P173 WeakPolarHBondContact CG-O 3.3Å; R138-P173 PolarHBondContact NE-O 3.01Å; K171-P173 VanDerWaalsContact C-CD 3.45Å; K171-P173 WeakPolarHBondContact O-CD 3.48Å; P173-L175 VanDerWaalsContact C-N 3.35Å
174S98.2Very high97.8Very high19 Ų1932.9 Ų32.913%0.13318%0.179CC..THydrogen-bonded Turntrans-87.9-3.8178.3-57.70000113.1N127 W130 Q131 R138 L139 C172N127-S174 WeakPolarHBondContact OD1-CA 3.4Å; N127-S174 VanDerWaalsContact OD1-CB 3.25Å; N127-S174 WeakPolarHBondContact OD1-CB 3.32Å; N127-S174 PolarHBondContact OD1-N 2.82Å; W130-S174 VanDerWaalsContact CD1-O 3.26Å; Q131-S174 WeakPolarHBondContact CB-OG 3.39Å; R138-S174 CarbonylContact C-O 3.47Å; R138-S174 VanDerWaalsContact CA-O 3.31Å; R138-S174 WeakPolarHBondContact CA-O 3.5Å; L139-S174 PolarHBondContact N-O 2.94Å; C172-S174 PolarHBondContact O-N 2.84Å; C172-S174 VanDerWaalsContact O-N 3.11Å
175L98.6Very high97.3Very high0 Ų033.5 Ų33.50%018%0.184CC..EExtended strand (participates in β ladder)trans-114.4144.1179-53.4-174.6000110.2V126 N127 R138 L139 V141 I168 C172 P173V126-L175 HydrophobicContact CB-CD1 4.39Å; V126-L175 HydrophobicContact CB-CD2 4.48Å; V126-L175 HydrophobicContact CG1-CD1 4.38Å; V126-L175 HydrophobicContact CG1-CD2 3.74Å; N127-L175 HydrophobicContact CB-CD1 3.9Å; N127-L175 HydrophobicContact CB-CD2 4.46Å; N127-L175 HydrophobicContact CB-CG 3.87Å; R138-L175 PolarHBondContact NE-O 3.35Å; R138-L175 PolarHBondContact NH2-O 3.18Å; L139-L175 HydrophobicContact CB-CD2 3.98Å; L139-L175 HydrophobicContact CD2-CD2 4.38Å; L139-L175 CarbonylContact O-C 3.53Å; L139-L175 WeakPolarHBondContact O-CA 3.15Å; V141-L175 HydrophobicContact CG1-CB 4.31Å; V141-L175 HydrophobicContact CG1-CD1 4.25Å; V141-L175 HydrophobicContact CG1-CD2 4.12Å; V141-L175 HydrophobicContact CG1-CG 4.46Å; V141-L175 HydrophobicContact CG2-CB 4.17Å; I168-L175 HydrophobicContact CG2-CB 4.33Å; C172-L175 HydrophobicContact CB-CB 3.97Å; C172-L175 HydrophobicContact CB-CD1 3.8Å; C172-L175 HydrophobicContact CB-CG 3.89Å; C172-L175 PolarHBondContact O-N 2.87Å; C172-L175 VanDerWaalsContact O-O 3.07Å; P173-L175 VanDerWaalsContact C-N 3.35Å
176E98.6Very high96.6Very high71 Ų7141 Ų4133%0.33222%0.216SC..EExtended strand (participates in β ladder)trans-113.5111.8172.9-178.2-172172.600108.4R138 L139 K140 V141 V178R138-E176 HydrophobicContact CB-CB 3.91Å; L139-E176 PolarHBondContact O-N 2.76Å; K140-E176 CarbonylContact C-O 3.51Å; K140-E176 WeakPolarHBondContact CA-O 3.26Å; K140-E176 HydrophobicContact CG-CB 4.48Å; V141-E176 PolarHBondContact N-O 2.85Å; E176-V178 HydrophobicContact CG-CG1 3.91Å; E176-V178 PolarHBondContact O-N 2.94Å
177F98.6Very high95.5Very high22 Ų2240.6 Ų40.610%0.09624%0.236CC..EExtended strand (participates in β ladder)trans-67.9125170.7171.1-100.6000109.3V143 V165 I168 G179 L180 L208 V219V143-F177 HydrophobicContact CB-CE2 4.39Å; V143-F177 HydrophobicContact CG2-CD2 4.01Å; V143-F177 HydrophobicContact CG2-CE2 3.86Å; V165-F177 HydrophobicContact CB-CE2 4.48Å; V165-F177 HydrophobicContact CG1-CD1 3.81Å; V165-F177 HydrophobicContact CG1-CD2 4.09Å; V165-F177 HydrophobicContact CG1-CE1 3.86Å; V165-F177 HydrophobicContact CG1-CE2 4.13Å; V165-F177 HydrophobicContact CG1-CG 3.92Å; V165-F177 HydrophobicContact CG1-CZ 4.02Å; V165-F177 HydrophobicContact CG2-CD2 3.97Å; V165-F177 HydrophobicContact CG2-CE2 3.52Å; V165-F177 HydrophobicContact CG2-CZ 3.83Å; I168-F177 HydrophobicContact CG2-CB 4.02Å; F177-G179 WeakPolarHBondContact CE2-O 3.35Å; F177-L180 HydrophobicContact CE2-CD2 4.12Å; F177-L180 HydrophobicContact CZ-CD2 4.06Å; F177-L208 HydrophobicContact CE1-CD2 3.91Å; F177-L208 HydrophobicContact CZ-CD2 3.6Å; F177-V219 HydrophobicContact CE1-CG1 4.17Å; F177-V219 HydrophobicContact CE1-CG2 4.28Å; F177-V219 HydrophobicContact CZ-CG1 4.08Å
178V98.4Very high94.8Very high10 Ų1042 Ų426%0.06124%0.242CC..EExtended strand (participates in β ladder)trans-123.3-13.5-179.3-61.70000114.1M113 K140 V141 M142 E176 E220M113-V178 HydrophobicContact CE-CG2 3.91Å; M113-V178 HydrophobicContact SD-CG2 4.25Å; K140-V178 HydrophobicContact CB-CG1 3.96Å; K140-V178 HydrophobicContact CB-CG2 4.11Å; K140-V178 HydrophobicContact CD-CG1 4.17Å; K140-V178 HydrophobicContact CG-CG1 3.81Å; V141-V178 WeakPolarHBondContact O-CG2 3.32Å; V141-V178 PolarHBondContact O-N 3.11Å; M142-V178 HydrophobicContact CE-CG2 4.24Å; M142-V178 HydrophobicContact CG-CG2 3.86Å; E176-V178 HydrophobicContact CG-CG1 3.91Å; E176-V178 PolarHBondContact O-N 2.94Å; V178-E220 WeakPolarHBondContact O-CB 3.24Å; V178-E220 PolarHBondContact O-N 3.21Å
179G98.4Very high94.1Very high0 Ų046.2 Ų46.20%027%0.265CS..EExtended strand (participates in β ladder)trans174-179.8-17300000116.9M142 V143 F177 E220M142-G179 CarbonylContact C-O 3.59Å; M142-G179 WeakPolarHBondContact CA-O 3.25Å; M142-G179 VanDerWaalsContact CB-O 3.3Å; M142-G179 WeakPolarHBondContact CB-O 3.38Å; V143-G179 PolarHBondContact N-O 3.39Å; F177-G179 WeakPolarHBondContact CE2-O 3.35Å; G179-E220 CarbonylContact C-O 3.57Å; G179-E220 WeakPolarHBondContact CA-O 3.37Å
180L98.7Very high93.4Very high0 Ų046.3 Ų46.30%026%0.264CS..EExtended strand (participates in β ladder)trans-111.4149.4175-55-179.9000110.1V143 T161 F177 L201 L204 R205 L208 V219 E220 L221 S222V143-L180 HydrophobicContact CB-CD2 4.06Å; V143-L180 CarbonylContact O-C 3.56Å; V143-L180 WeakPolarHBondContact O-CA 3.36Å; T161-L180 HydrophobicContact CG2-CD1 4.39Å; T161-L180 HydrophobicContact CG2-CD2 3.85Å; F177-L180 HydrophobicContact CE2-CD2 4.12Å; F177-L180 HydrophobicContact CZ-CD2 4.06Å; L180-L201 HydrophobicContact CB-CD1 3.82Å; L180-L201 HydrophobicContact CB-CD2 4.48Å; L180-L201 HydrophobicContact CB-CG 4.2Å; L180-L201 HydrophobicContact CD1-CD1 4.37Å; L180-L204 HydrophobicContact CD1-CB 4.1Å; L180-R205 HydrophobicContact CD1-CB 4.18Å; L180-L208 HydrophobicContact CD2-CD2 4.26Å; L180-V219 HydrophobicContact CG-CG1 4.45Å; L180-E220 PolarHBondContact N-O 3.24Å; L180-L221 HydrophobicContact CB-CD2 4.12Å; L180-L221 WeakPolarHBondContact O-CA 3.43Å; L180-S222 PolarHBondContact O-N 2.88Å
181M98.5Very high92.8Very high1 Ų147.1 Ų47.11%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-130.4139178.2-171.5-83.6-84.300110.4E115 T116 M142 V143 Q144 I145 I183 S222E115-M181 HydrophobicContact CB-CB 4.47Å; E115-M181 HydrophobicContact CB-CE 4.44Å; E115-M181 HydrophobicContact CB-CG 4.21Å; E115-M181 WeakPolarHBondContact O-CB 3.44Å; E115-M181 WeakPolarHBondContact O-CE 3.33Å; T116-M181 HydrophobicContact CG2-CE 3.39Å; M142-M181 HydrophobicContact CB-CB 4.29Å; M142-M181 HydrophobicContact SD-CB 4.49Å; V143-M181 PolarHBondContact O-N 3.39Å; Q144-M181 CarbonylContact C-O 3.57Å; Q144-M181 WeakPolarHBondContact CA-O 3.07Å; Q144-M181 HydrophobicContact CB-CE 3.87Å; Q144-M181 VanDerWaalsContact CD-CE 3.49Å; Q144-M181 HydrophobicContact CG-CE 3.59Å; Q144-M181 HydrophobicContact CG-SD 4.11Å; I145-M181 PolarHBondContact N-O 3.48Å; M181-I183 HydrophobicContact SD-CG1 4.2Å; M181-S222 WeakPolarHBondContact CA-O 3.49Å
182T97.8Very high92.1Very high2 Ų248 Ų481%0.01227%0.272CS..  trans-133.9147.3163.2-169.70000111.3I145 T147 G184 F198 L201 S222 M223 R241I145-T182 PolarHBondContact O-OG1 3.35Å; T147-T182 HydrophobicContact CG2-CG2 4.22Å; T147-T182 PolarHBondContact OG1-OG1 3.12Å; T182-G184 PolarHBondContact OG1-N 3.3Å; T182-F198 HydrophobicContact CG2-CD1 4.4Å; T182-L201 HydrophobicContact CG2-CB 4.44Å; T182-L201 HydrophobicContact CG2-CD2 3.87Å; T182-S222 PolarHBondContact N-O 3.11Å; T182-M223 HydrophobicContact CG2-CB 3.95Å; T182-R241 PolarHBondContact O-NH2 3Å
183I93.8Very high91.5Very high55 Ų5549.4 Ų49.428%0.28229%0.287SS..  trans-81.5-34.3166.4-60177000110M181 M225M181-I183 HydrophobicContact SD-CG1 4.2Å; I183-M225 HydrophobicContact CG2-CE 4.41Å
184G90.9Very high91.1Very high2 Ų248.5 Ų48.52%0.02128%0.281CS..  trans68.7-174.3-17400000114.3K153 T182 D197K153-G184 WeakPolarHBondContact CE-O 3.37Å; K153-G184 PolarHBondContact NZ-O 2.93Å; T182-G184 PolarHBondContact OG1-N 3.3Å; G184-D197 VanDerWaalsContact CA-CG 3.49Å
185S88.8Confident90.9Very high18 Ų1847.7 Ų47.713%0.12628%0.275CS..  trans-84.7143.4174.3-490000111.1S148 K153 D197S148-S185 WeakPolarHBondContact CB-OG 3.4Å; K153-S185 VanDerWaalsContact NZ-CA 3.33Å; S185-D197 VanDerWaalsContact CB-OD2 3.25Å; S185-D197 WeakPolarHBondContact CB-OD2 3.31Å; S185-D197 PolarHBondContact N-OD2 2.91Å; S185-D197 PolarHBondContact OG-OD2 3.18Å
186F83.3Confident90.7Very high156 Ų15651.2 Ų51.268%0.68430%0.297SS*.THydrogen-bonded Turntrans-74.9136.8176.4-71.9-75.7000110.2M225F186-M225 HydrophobicContact CE1-CE 4.1Å
187G75.3Confident90.6Very high78 Ų7848 Ų4880%0.80428%0.282SS*.THydrogen-bonded Turntrans71.732.916400000115D189G187-D189 PolarHBondContact O-N 3.37Å
188H83.8Confident90.5Very high74 Ų7447 Ų4734%0.34328%0.278SS..  trans-60.8129.7170.5-92.4-32000111.7L190 N195 P196 D197H188-L190 PolarHBondContact O-N 3.45Å; H188-N195 PolarHBondContact CD2-OD1 3.32Å; H188-N195 VanDerWaalsContact CD2-OD1 3.26Å; H188-P196 VanDerWaalsContact NE2-CG 3.31Å; H188-P196 WeakPolarHBondContact NE2-CG 3.47Å; H188-D197 IonicContact CD2-OD2 3.43Å; H188-D197 PolarHBondContact CD2-OD2 2.73Å; H188-D197 IonicContact NE2-OD2 3.37Å; H188-D197 PolarHBondContact NE2-OD2 2.91Å
189D83.9Confident90.3Very high88 Ų8850.3 Ų50.347%0.47129%0.293SS..  trans-78105.3176.6-179.611.2000110G187 S191 Q192G187-D189 PolarHBondContact O-N 3.37Å; D189-S191 PolarHBondContact O-N 2.97Å; D189-S191 WeakPolarHBondContact OD1-CB 3.35Å; D189-S191 PolarHBondContact OD1-N 3.27Å; D189-S191 PolarHBondContact OD1-OG 3.21Å; D189-S191 PolarHBondContact OD2-OG 2.94Å; D189-Q192 HydrophobicContact CB-CG 4.04Å; D189-Q192 WeakPolarHBondContact O-CB 3.47Å; D189-Q192 PolarHBondContact O-N 3.46Å; D189-Q192 PolarHBondContact OD2-NE2 2.91Å
190L83.1Confident90.3Very high77 Ų7753 Ų5340%0.40331%0.307SS..G310 helixtrans-67.1-12.4179.3-61.7178.9000112.9H188 Q192 G193 N195 H231H188-L190 PolarHBondContact O-N 3.45Å; L190-Q192 PolarHBondContact O-N 3.45Å; L190-G193 PolarHBondContact O-N 2.79Å; L190-N195 HydrophobicContact CD2-CB 4.25Å; L190-H231 HydrophobicContact CD1-CB 3.77Å; L190-H231 HydrophobicContact CD2-CB 4.34Å; L190-H231 VanDerWaalsContact CD2-CD2 3.49Å; L190-H231 WeakPolarHBondContact CD2-CD2 3.44Å
191S84.8Confident90.2Very high91 Ų9153 Ų5364%0.63631%0.307SS*.G310 helixtrans-71.4-18.3171.1900000112.7D189 G193D189-S191 PolarHBondContact O-N 2.97Å; D189-S191 WeakPolarHBondContact OD1-CB 3.35Å; D189-S191 PolarHBondContact OD1-N 3.27Å; D189-S191 PolarHBondContact OD1-OG 3.21Å; D189-S191 PolarHBondContact OD2-OG 2.94Å; S191-G193 VanDerWaalsContact C-N 3.26Å
192Q84.8Confident90.1Very high156 Ų15653.6 Ų53.673%0.72931%0.31SS*.G310 helixtrans-86.32.7176.5-55-54.8-4700112.8D189 L190D189-Q192 HydrophobicContact CB-CG 4.04Å; D189-Q192 WeakPolarHBondContact O-CB 3.47Å; D189-Q192 PolarHBondContact O-N 3.46Å; D189-Q192 PolarHBondContact OD2-NE2 2.91Å; L190-Q192 PolarHBondContact O-N 3.45Å
193G86.6Confident90Very high30 Ų3056.1 Ų56.131%0.30933%0.328SS..SBendtrans115.4-171.5-178.300000112.9L190 S191L190-G193 PolarHBondContact O-N 2.79Å; S191-G193 VanDerWaalsContact C-N 3.26Å
194P89.3Confident90.2Very high69 Ų6954 Ų5445%0.44832%0.317SS..SBendtrans-65.3140-178.328-34000110.8P196 Q199P194-P196 WeakPolarHBondContact O-CD 3.21Å; P194-P196 VanDerWaalsContact O-N 3.09Å; P194-Q199 HydrophobicContact CB-CG 4.13Å; P194-Q199 HydrophobicContact CG-CG 4.15Å
195N93.8Very high90.5Very high2 Ų254.2 Ų54.21%0.01132%0.317CS..  trans-48.8116.3174.4-178.6-30.5000111.2H188 L190 D197 F198 Q199 H231H188-N195 PolarHBondContact CD2-OD1 3.32Å; H188-N195 VanDerWaalsContact CD2-OD1 3.26Å; L190-N195 HydrophobicContact CD2-CB 4.25Å; N195-D197 VanDerWaalsContact C-N 3.29Å; N195-D197 PolarHBondContact O-N 2.84Å; N195-D197 VanDerWaalsContact OD1-CB 3.24Å; N195-D197 WeakPolarHBondContact OD1-CB 3.35Å; N195-D197 PolarHBondContact OD1-N 3.13Å; N195-F198 HydrophobicContact CB-CB 4.43Å; N195-F198 HydrophobicContact CB-CD2 3.67Å; N195-F198 HydrophobicContact CB-CE2 4.01Å; N195-F198 HydrophobicContact CB-CG 4.03Å; N195-F198 PolarHBondContact O-N 3.15Å; N195-F198 VanDerWaalsContact O-N 3.13Å; N195-Q199 PolarHBondContact O-N 3.39Å; N195-H231 PolarHBondContact N-NE2 3.15Å
196P94.4Very high90.9Very high73 Ų7359.2 Ų59.247%0.47434%0.339SS..Hα-helixtrans-65.2-28.7-175.226.2-35.9000113.3H188 P194 F198 Q199 L200H188-P196 VanDerWaalsContact NE2-CG 3.31Å; H188-P196 WeakPolarHBondContact NE2-CG 3.47Å; P194-P196 WeakPolarHBondContact O-CD 3.21Å; P194-P196 VanDerWaalsContact O-N 3.09Å; P196-F198 VanDerWaalsContact C-N 3.3Å; P196-F198 PolarHBondContact O-N 3.46Å; P196-Q199 PolarHBondContact O-N 3.17Å; P196-L200 WeakPolarHBondContact O-CB 3.26Å; P196-L200 PolarHBondContact O-N 2.93Å
197D95.9Very high91.6Very high3 Ų357 Ų572%0.01633%0.33CS..Hα-helixtrans-61.9-40174.3-70.5-72.7000111.8T147 S148 G184 S185 H188 N195 L201T147-D197 VanDerWaalsContact CB-OD1 3.27Å; T147-D197 WeakPolarHBondContact CB-OD1 3.18Å; T147-D197 VanDerWaalsContact OG1-CB 3.29Å; T147-D197 WeakPolarHBondContact OG1-CB 3.32Å; T147-D197 PolarHBondContact OG1-OD1 3.16Å; S148-D197 VanDerWaalsContact CA-OD1 3.24Å; S148-D197 WeakPolarHBondContact CA-OD1 3.07Å; S148-D197 PolarHBondContact N-OD1 3Å; G184-D197 VanDerWaalsContact CA-CG 3.49Å; S185-D197 VanDerWaalsContact CB-OD2 3.25Å; S185-D197 WeakPolarHBondContact CB-OD2 3.31Å; S185-D197 PolarHBondContact N-OD2 2.91Å; S185-D197 PolarHBondContact OG-OD2 3.18Å; H188-D197 IonicContact CD2-OD2 3.43Å; H188-D197 PolarHBondContact CD2-OD2 2.73Å; H188-D197 IonicContact NE2-OD2 3.37Å; H188-D197 PolarHBondContact NE2-OD2 2.91Å; N195-D197 VanDerWaalsContact C-N 3.29Å; N195-D197 PolarHBondContact O-N 2.84Å; N195-D197 VanDerWaalsContact OD1-CB 3.24Å; N195-D197 WeakPolarHBondContact OD1-CB 3.35Å; N195-D197 PolarHBondContact OD1-N 3.13Å; D197-L201 PolarHBondContact O-N 3.4Å; D197-L201 VanDerWaalsContact O-N 3.11Å
198F95.9Very high92.7Very high1 Ų153.2 Ų53.20%0.00429%0.292CS..Hα-helixtrans-72.1-38178.8-59.8-13.7000111.1T182 N195 P196 L201 L202 M223 D228 H231 A232 V235T182-F198 HydrophobicContact CG2-CD1 4.4Å; N195-F198 HydrophobicContact CB-CB 4.43Å; N195-F198 HydrophobicContact CB-CD2 3.67Å; N195-F198 HydrophobicContact CB-CE2 4.01Å; N195-F198 HydrophobicContact CB-CG 4.03Å; N195-F198 PolarHBondContact O-N 3.15Å; N195-F198 VanDerWaalsContact O-N 3.13Å; P196-F198 VanDerWaalsContact C-N 3.3Å; P196-F198 PolarHBondContact O-N 3.46Å; F198-L201 PolarHBondContact O-N 2.7Å; F198-L202 VanDerWaalsContact O-CD1 3.31Å; F198-L202 WeakPolarHBondContact O-CD1 3.48Å; F198-L202 WeakPolarHBondContact O-CG 3.25Å; F198-L202 PolarHBondContact O-N 2.98Å; F198-M223 HydrophobicContact CB-CE 4.18Å; F198-M223 HydrophobicContact CB-SD 3.67Å; F198-M223 HydrophobicContact CD1-CB 3.83Å; F198-M223 HydrophobicContact CD1-CG 4.02Å; F198-M223 HydrophobicContact CD1-SD 3.65Å; F198-M223 HydrophobicContact CE1-CB 3.8Å; F198-M223 HydrophobicContact CE1-CG 4.31Å; F198-M223 HydrophobicContact CG-CG 4.38Å; F198-M223 HydrophobicContact CG-SD 3.74Å; F198-D228 WeakPolarHBondContact CZ-OD2 3.44Å; F198-H231 AromaticContact CD2-CD2 3.77Å; F198-H231 AromaticContact CE2-CD2 3.95Å; F198-A232 HydrophobicContact CD2-CB 4.1Å; F198-A232 HydrophobicContact CE2-CB 3.58Å; F198-A232 HydrophobicContact CZ-CB 4Å; F198-V235 HydrophobicContact CB-CG2 3.86Å; F198-V235 HydrophobicContact CD2-CG2 3.97Å; F198-V235 HydrophobicContact CG-CG2 4.33Å
199Q95.4Very high93.3Very high81 Ų8150.3 Ų50.338%0.37928%0.279SS..Hα-helixtrans-62.3-43.6175-62.7-57.1-67.100111.7P194 N195 P196 L201 L202 S203P194-Q199 HydrophobicContact CB-CG 4.13Å; P194-Q199 HydrophobicContact CG-CG 4.15Å; N195-Q199 PolarHBondContact O-N 3.39Å; P196-Q199 PolarHBondContact O-N 3.17Å; Q199-L201 VanDerWaalsContact C-N 3.35Å; Q199-L201 PolarHBondContact O-N 2.78Å; Q199-L202 WeakPolarHBondContact O-CB 3.48Å; Q199-L202 PolarHBondContact O-N 3.04Å; Q199-S203 PolarHBondContact O-N 2.9Å; Q199-S203 PolarHBondContact O-OG 2.89Å
200L96.8Very high93.9Very high56 Ų5655 Ų5529%0.29330%0.296SS..Hα-helixtrans-63.2-40.1175.9178.956.7000112T147 P158 P196 L202 S203 L204T147-L200 HydrophobicContact CG2-CB 4.39Å; T147-L200 HydrophobicContact CG2-CD2 4.11Å; T147-L200 HydrophobicContact CG2-CG 4.19Å; P158-L200 HydrophobicContact CG-CD2 3.94Å; P196-L200 WeakPolarHBondContact O-CB 3.26Å; P196-L200 PolarHBondContact O-N 2.93Å; L200-L202 VanDerWaalsContact C-N 3.34Å; L200-L202 PolarHBondContact O-N 2.83Å; L200-S203 PolarHBondContact O-N 3.27Å; L200-S203 PolarHBondContact O-OG 3.44Å; L200-L204 HydrophobicContact CD1-CD1 4.35Å; L200-L204 HydrophobicContact CD1-CG 4.3Å; L200-L204 HydrophobicContact CG-CD1 4.26Å; L200-L204 WeakPolarHBondContact O-CB 3.42Å; L200-L204 VanDerWaalsContact O-CG 3.26Å; L200-L204 WeakPolarHBondContact O-CG 3.15Å; L200-L204 PolarHBondContact O-N 3.39Å
201L97.6Very high94.6Very high0 Ų058.1 Ų58.10%031%0.306CS..Hα-helixtrans-66.3-37.5177.1-159.971.9000112.2I145 T147 L180 T182 D197 F198 Q199 R205 L221 M223I145-L201 HydrophobicContact CB-CD1 4.11Å; I145-L201 HydrophobicContact CG1-CD1 3.87Å; T147-L201 HydrophobicContact CG2-CB 4.42Å; T147-L201 HydrophobicContact CG2-CD1 4.24Å; L180-L201 HydrophobicContact CB-CD1 3.82Å; L180-L201 HydrophobicContact CB-CD2 4.48Å; L180-L201 HydrophobicContact CB-CG 4.2Å; L180-L201 HydrophobicContact CD1-CD1 4.37Å; T182-L201 HydrophobicContact CG2-CB 4.44Å; T182-L201 HydrophobicContact CG2-CD2 3.87Å; D197-L201 PolarHBondContact O-N 3.4Å; D197-L201 VanDerWaalsContact O-N 3.11Å; F198-L201 PolarHBondContact O-N 2.7Å; Q199-L201 VanDerWaalsContact C-N 3.35Å; Q199-L201 PolarHBondContact O-N 2.78Å; L201-R205 PolarHBondContact O-N 2.94Å; L201-L221 HydrophobicContact CD2-CB 4.44Å; L201-L221 HydrophobicContact CD2-CD2 3.89Å; L201-L221 HydrophobicContact CG-CD2 3.9Å; L201-M223 HydrophobicContact CB-SD 4.24Å; L201-M223 HydrophobicContact CD2-CB 4.2Å; L201-M223 HydrophobicContact CD2-CG 4.34Å; L201-M223 HydrophobicContact CD2-SD 3.76Å
202L96.1Very high95.1Very high13 Ų1355.7 Ų55.77%0.06829%0.286CS..Hα-helixtrans-62.5-48.4174.4-75.5153000111.5F198 Q199 L200 L204 R205 E206 L221 M223 V235F198-L202 VanDerWaalsContact O-CD1 3.31Å; F198-L202 WeakPolarHBondContact O-CD1 3.48Å; F198-L202 WeakPolarHBondContact O-CG 3.25Å; F198-L202 PolarHBondContact O-N 2.98Å; Q199-L202 WeakPolarHBondContact O-CB 3.48Å; Q199-L202 PolarHBondContact O-N 3.04Å; L200-L202 VanDerWaalsContact C-N 3.34Å; L200-L202 PolarHBondContact O-N 2.83Å; L202-L204 VanDerWaalsContact C-N 3.32Å; L202-L204 PolarHBondContact O-N 3.4Å; L202-R205 WeakPolarHBondContact O-CB 3.23Å; L202-R205 PolarHBondContact O-N 3.38Å; L202-R205 VanDerWaalsContact O-N 3.16Å; L202-E206 PolarHBondContact O-N 2.91Å; L202-L221 HydrophobicContact CD2-CD1 3.51Å; L202-L221 HydrophobicContact CG-CD1 3.99Å; L202-M223 HydrophobicContact CD1-CE 4.43Å; L202-M223 HydrophobicContact CG-CE 4.27Å; L202-V235 HydrophobicContact CD1-CB 4.14Å; L202-V235 HydrophobicContact CD1-CG2 4.27Å; L202-V235 WeakPolarHBondContact CD1-O 3.28Å; L202-V235 VanDerWaalsContact CD2-O 3.29Å; L202-V235 WeakPolarHBondContact CD2-O 3.49Å
203S96.7Very high95.7Very high55 Ų5555.4 Ų55.439%0.38529%0.289SS..Hα-helixtrans-63.1-39.117965.10000112Q199 L200 R205 E206 E207Q199-S203 PolarHBondContact O-N 2.9Å; Q199-S203 PolarHBondContact O-OG 2.89Å; L200-S203 PolarHBondContact O-N 3.27Å; L200-S203 PolarHBondContact O-OG 3.44Å; S203-R205 VanDerWaalsContact C-N 3.34Å; S203-R205 PolarHBondContact O-N 3.43Å; S203-E206 PolarHBondContact O-N 3.13Å; S203-E207 WeakPolarHBondContact O-CB 3.42Å; S203-E207 PolarHBondContact O-N 2.9Å
204L97.7Very high96.1Very high10 Ų1055.6 Ų55.65%0.05228%0.283CS..Hα-helixtrans-63.7-39.4174.8-73.3170.5000112I145 P158 L180 L200 L202 L208I145-L204 HydrophobicContact CG1-CD1 4.36Å; I145-L204 HydrophobicContact CG2-CD1 3.76Å; P158-L204 HydrophobicContact CB-CD1 3.98Å; P158-L204 HydrophobicContact CB-CD2 4.07Å; P158-L204 HydrophobicContact CG-CD1 4.49Å; L180-L204 HydrophobicContact CD1-CB 4.1Å; L200-L204 HydrophobicContact CD1-CD1 4.35Å; L200-L204 HydrophobicContact CD1-CG 4.3Å; L200-L204 HydrophobicContact CG-CD1 4.26Å; L200-L204 WeakPolarHBondContact O-CB 3.42Å; L200-L204 VanDerWaalsContact O-CG 3.26Å; L200-L204 WeakPolarHBondContact O-CG 3.15Å; L200-L204 PolarHBondContact O-N 3.39Å; L202-L204 VanDerWaalsContact C-N 3.32Å; L202-L204 PolarHBondContact O-N 3.4Å; L204-L208 WeakPolarHBondContact O-CB 3.49Å; L204-L208 PolarHBondContact O-N 2.87Å
205R97.3Very high96.3Very high8 Ų855.3 Ų55.33%0.0328%0.281CS..Hα-helixtrans-61.7-46.3173.7178.1-178.267.1171.40.5110.9L180 L201 L202 S203 L208 C209 V219 L221L180-R205 HydrophobicContact CD1-CB 4.18Å; L201-R205 PolarHBondContact O-N 2.94Å; L202-R205 WeakPolarHBondContact O-CB 3.23Å; L202-R205 PolarHBondContact O-N 3.38Å; L202-R205 VanDerWaalsContact O-N 3.16Å; S203-R205 VanDerWaalsContact C-N 3.34Å; S203-R205 PolarHBondContact O-N 3.43Å; R205-L208 PolarHBondContact O-N 3Å; R205-C209 VanDerWaalsContact O-CB 3.23Å; R205-C209 WeakPolarHBondContact O-CB 3.45Å; R205-C209 PolarHBondContact O-N 2.73Å; R205-C209 PolarHBondContact O-SG 3.49Å; R205-V219 WeakPolarHBondContact CD-O 3.48Å; R205-V219 HydrophobicContact CG-CB 3.89Å; R205-V219 HydrophobicContact CG-CG1 3.79Å; R205-L221 HydrophobicContact CB-CD2 4Å; R205-L221 HydrophobicContact CG-CD2 4.43Å
206E96.4Very high96.2Very high122 Ų12257 Ų5757%0.5730%0.296SS*.Hα-helixtrans-60.8-46.7179.3-71.8176-173.800112L202 S203 C209 K210L202-E206 PolarHBondContact O-N 2.91Å; S203-E206 PolarHBondContact O-N 3.13Å; E206-C209 PolarHBondContact O-N 3.03Å; E206-K210 WeakPolarHBondContact O-CB 3.05Å; E206-K210 PolarHBondContact O-N 2.92Å
207E97.8Very high96Very high109 Ų10958.2 Ų58.251%0.50930%0.298SS..Hα-helixtrans-59.7-47.9176.6-168-171.2160.900111.3I162 S203 K210 K211I162-E207 HydrophobicContact CD1-CG 3.93Å; I162-E207 WeakPolarHBondContact CD1-OE1 3.39Å; S203-E207 WeakPolarHBondContact O-CB 3.42Å; S203-E207 PolarHBondContact O-N 2.9Å; E207-K210 PolarHBondContact O-N 3.05Å; E207-K211 VanDerWaalsContact O-CB 3.28Å; E207-K211 WeakPolarHBondContact O-CB 3.47Å; E207-K211 PolarHBondContact O-N 2.7Å
208L97.8Very high95.9Very high0 Ų064 Ų640%033%0.325CS..Hα-helixtrans-59.9-49.3177.6-177.574.3000111.7I162 V165 F177 L180 L204 R205 K210 K211 L212 V219I162-L208 HydrophobicContact CB-CD1 4.38Å; I162-L208 HydrophobicContact CG1-CD1 3.96Å; V165-L208 HydrophobicContact CB-CD1 3.83Å; V165-L208 HydrophobicContact CG1-CD1 3.96Å; V165-L208 HydrophobicContact CG1-CD2 4.33Å; V165-L208 HydrophobicContact CG2-CD1 3.98Å; V165-L208 HydrophobicContact CG2-CD2 4.11Å; F177-L208 HydrophobicContact CE1-CD2 3.91Å; F177-L208 HydrophobicContact CZ-CD2 3.6Å; L180-L208 HydrophobicContact CD2-CD2 4.26Å; L204-L208 WeakPolarHBondContact O-CB 3.49Å; L204-L208 PolarHBondContact O-N 2.87Å; R205-L208 PolarHBondContact O-N 3Å; L208-K210 VanDerWaalsContact C-N 3.33Å; L208-K210 PolarHBondContact O-N 3.25Å; L208-K211 PolarHBondContact O-N 3.21Å; L208-L212 HydrophobicContact CD1-CD1 3.5Å; L208-L212 HydrophobicContact CD1-CG 4.11Å; L208-L212 HydrophobicContact CG-CD1 4.09Å; L208-L212 WeakPolarHBondContact O-CB 3.23Å; L208-L212 WeakPolarHBondContact O-CG 3.45Å; L208-L212 PolarHBondContact O-N 2.7Å; L208-V219 HydrophobicContact CD2-CG1 4.38Å
209C97Very high96Very high12 Ų1264 Ų648%0.08133%0.325CS..Hα-helixtrans-59.7-44.2179.7-72.30000111.2R205 E206 N213 I214 V219R205-C209 VanDerWaalsContact O-CB 3.23Å; R205-C209 WeakPolarHBondContact O-CB 3.45Å; R205-C209 PolarHBondContact O-N 2.73Å; R205-C209 PolarHBondContact O-SG 3.49Å; E206-C209 PolarHBondContact O-N 3.03Å; C209-N213 CarbonylContact O-C 3.58Å; C209-N213 VanDerWaalsContact O-CA 3.25Å; C209-N213 WeakPolarHBondContact O-CA 3.46Å; C209-N213 PolarHBondContact O-N 3.23Å; C209-I214 WeakPolarHBondContact CA-O 3.15Å; C209-I214 WeakPolarHBondContact CB-O 3.33Å; C209-I214 PolarHBondContact O-N 3.24Å; C209-V219 VanDerWaalsContact SG-CG2 3.53Å
210K97.3Very high96.1Very high187 Ų18762 Ų6281%0.81332%0.316SS*.Hα-helixtrans-64.7-44.8176.5-175.4-179.4179.7179.40112E206 E207 L208E206-K210 WeakPolarHBondContact O-CB 3.05Å; E206-K210 PolarHBondContact O-N 2.92Å; E207-K210 PolarHBondContact O-N 3.05Å; L208-K210 VanDerWaalsContact C-N 3.33Å; L208-K210 PolarHBondContact O-N 3.25Å
211K97.3Very high96.1Very high142 Ų14259.4 Ų59.462%0.61730%0.302SS*.Hα-helixtrans-67.9-40.6-177-176.666.4173.9-172.20112.3I162 E207 L208I162-K211 HydrophobicContact CD1-CB 4.33Å; I162-K211 HydrophobicContact CD1-CG 4.33Å; I162-K211 HydrophobicContact CG2-CG 3.98Å; E207-K211 VanDerWaalsContact O-CB 3.28Å; E207-K211 WeakPolarHBondContact O-CB 3.47Å; E207-K211 PolarHBondContact O-N 2.7Å; L208-K211 PolarHBondContact O-N 3.21Å
212L96Very high96.2Very high41 Ų4159.4 Ų59.422%0.21530%0.302CS..Hα-helixtrans-98.11.1-175.3-56.5-172.8000113.5V165 E166 L208 I214V165-L212 HydrophobicContact CB-CD1 4.3Å; V165-L212 HydrophobicContact CG1-CD1 3.6Å; E166-L212 HydrophobicContact CG-CD1 4.46Å; E166-L212 HydrophobicContact CG-CD2 3.56Å; L208-L212 HydrophobicContact CD1-CD1 3.5Å; L208-L212 HydrophobicContact CD1-CG 4.11Å; L208-L212 HydrophobicContact CG-CD1 4.09Å; L208-L212 WeakPolarHBondContact O-CB 3.23Å; L208-L212 WeakPolarHBondContact O-CG 3.45Å; L208-L212 PolarHBondContact O-N 2.7Å; L212-I214 VanDerWaalsContact C-N 3.28Å; L212-I214 HydrophobicContact CB-CD1 3.73Å; L212-I214 HydrophobicContact CB-CG1 3.83Å; L212-I214 HydrophobicContact CD1-CD1 4.05Å; L212-I214 PolarHBondContact O-N 2.87Å
213N96.6Very high96.3Very high149 Ų14958.8 Ų58.880%0.79730%0.299SS*.THydrogen-bonded Turntrans53.744.1-176.4-165.750.7000112.7C209C209-N213 CarbonylContact O-C 3.58Å; C209-N213 VanDerWaalsContact O-CA 3.25Å; C209-N213 WeakPolarHBondContact O-CA 3.46Å; C209-N213 PolarHBondContact O-N 3.23Å
214I95Very high96.2Very high35 Ų3556.2 Ų56.218%0.17928%0.281CS..  trans-102.2130.6177.4-56.2172.4000108.1C209 L212 A216 Q218 V219C209-I214 WeakPolarHBondContact CA-O 3.15Å; C209-I214 WeakPolarHBondContact CB-O 3.33Å; C209-I214 PolarHBondContact O-N 3.24Å; L212-I214 VanDerWaalsContact C-N 3.28Å; L212-I214 HydrophobicContact CB-CD1 3.73Å; L212-I214 HydrophobicContact CB-CG1 3.83Å; L212-I214 HydrophobicContact CD1-CD1 4.05Å; L212-I214 PolarHBondContact O-N 2.87Å; I214-A216 PolarHBondContact O-N 2.68Å; I214-Q218 HydrophobicContact CG2-CB 4.08Å; I214-V219 HydrophobicContact CB-CG2 4.38Å; I214-V219 HydrophobicContact CG2-CG2 3.68Å
215P93.6Very high96.1Very high62 Ų6258.2 Ų58.240%0.40329%0.29SS..  trans-58.2134.6171.7-27.237.8000112.1D217 Q218P215-D217 WeakPolarHBondContact CB-OD1 3.31Å; P215-D217 PolarHBondContact O-N 2.96Å; P215-D217 VanDerWaalsContact O-N 3.15Å; P215-Q218 HydrophobicContact CB-CG 4.16Å; P215-Q218 WeakPolarHBondContact O-CB 3.34Å; P215-Q218 PolarHBondContact O-N 2.84Å
216A91.5Very high95.9Very high39 Ų3958.6 Ų58.632%0.32230%0.295SS..G310 helixtrans-63-23.9-174.100000114I214 Q218 V219I214-A216 PolarHBondContact O-N 2.68Å; A216-Q218 VanDerWaalsContact C-N 3.27Å; A216-V219 PolarHBondContact O-N 3.49Å
217D90.4Very high95.6Very high97 Ų9759.2 Ų59.252%0.51931%0.306SS..G310 helixtrans-75.7-12.2175.163.3-22.7000113.7P36 I38 P215P36-D217 HydrophobicContact CB-CB 4.23Å; I38-D217 HydrophobicContact CD1-CB 4.19Å; P215-D217 WeakPolarHBondContact CB-OD1 3.31Å; P215-D217 PolarHBondContact O-N 2.96Å; P215-D217 VanDerWaalsContact O-N 3.15Å
218Q93.9Very high95.4Very high125 Ų12555.3 Ų55.358%0.58429%0.289SS*.G310 helixtrans-92.5-7.7173-62.2-178.517.400113.3I214 P215 A216I214-Q218 HydrophobicContact CG2-CB 4.08Å; P215-Q218 HydrophobicContact CB-CG 4.16Å; P215-Q218 WeakPolarHBondContact O-CB 3.34Å; P215-Q218 PolarHBondContact O-N 2.84Å; A216-Q218 VanDerWaalsContact C-N 3.27Å
219V97.1Very high95.3Very high1 Ų155.3 Ų55.31%0.00629%0.289CS..SBendtrans-107.6101.1177.1-173.90000109.4F177 L180 R205 L208 C209 I214 A216F177-V219 HydrophobicContact CE1-CG1 4.17Å; F177-V219 HydrophobicContact CE1-CG2 4.28Å; F177-V219 HydrophobicContact CZ-CG1 4.08Å; L180-V219 HydrophobicContact CG-CG1 4.45Å; R205-V219 WeakPolarHBondContact CD-O 3.48Å; R205-V219 HydrophobicContact CG-CB 3.89Å; R205-V219 HydrophobicContact CG-CG1 3.79Å; L208-V219 HydrophobicContact CD2-CG1 4.38Å; C209-V219 VanDerWaalsContact SG-CG2 3.53Å; I214-V219 HydrophobicContact CB-CG2 4.38Å; I214-V219 HydrophobicContact CG2-CG2 3.68Å; A216-V219 PolarHBondContact O-N 3.49Å
220E97.9Very high95.3Very high40 Ų4057 Ų5719%0.18730%0.295CS..EExtended strand (participates in β ladder)trans-65.8145.6177.7-65.2-171.3-173.700111.3R41 M142 V178 G179 L180 T238 N239R41-E220 IonicContact CZ-OE1 3.83Å; R41-E220 IonicContact CZ-OE2 3.94Å; R41-E220 IonicContact NH1-OE1 2.68Å; R41-E220 PolarHBondContact NH1-OE1 2.98Å; R41-E220 IonicContact NH1-OE2 2.88Å; R41-E220 PolarHBondContact NH1-OE2 2.95Å; R41-E220 IonicContact NH2-OE1 3.52Å; R41-E220 PolarHBondContact NH2-OE1 2.89Å; R41-E220 IonicContact NH2-OE2 3.52Å; R41-E220 PolarHBondContact NH2-OE2 3.13Å; M142-E220 HydrophobicContact CE-CB 3.74Å; M142-E220 WeakPolarHBondContact CE-OE2 3.4Å; V178-E220 WeakPolarHBondContact O-CB 3.24Å; V178-E220 PolarHBondContact O-N 3.21Å; G179-E220 CarbonylContact C-O 3.57Å; G179-E220 WeakPolarHBondContact CA-O 3.37Å; L180-E220 PolarHBondContact N-O 3.24Å; E220-T238 WeakPolarHBondContact CA-OG1 3.24Å; E220-T238 VanDerWaalsContact CB-OG1 3.31Å; E220-T238 WeakPolarHBondContact CB-OG1 3.29Å; E220-N239 PolarHBondContact OE2-ND2 3.07Å
221L98.2Very high95.1Very high0 Ų049.4 Ų49.40%026%0.263CS..EExtended strand (participates in β ladder)trans-112.3120168.9-64-178000109.8L180 L201 L202 R205 M223 S237 T238 N239L180-L221 HydrophobicContact CB-CD2 4.12Å; L180-L221 WeakPolarHBondContact O-CA 3.43Å; L201-L221 HydrophobicContact CD2-CB 4.44Å; L201-L221 HydrophobicContact CD2-CD2 3.89Å; L201-L221 HydrophobicContact CG-CD2 3.9Å; L202-L221 HydrophobicContact CD2-CD1 3.51Å; L202-L221 HydrophobicContact CG-CD1 3.99Å; R205-L221 HydrophobicContact CB-CD2 4Å; R205-L221 HydrophobicContact CG-CD2 4.43Å; L221-M223 HydrophobicContact CB-CE 4.18Å; L221-M223 HydrophobicContact CD1-CE 3.76Å; L221-S237 PolarHBondContact O-OG 3.36Å; L221-T238 PolarHBondContact N-OG1 3Å; L221-T238 PolarHBondContact O-N 3.4Å; L221-T238 PolarHBondContact O-OG1 2.94Å; L221-N239 PolarHBondContact O-N 3.28Å
222S98.5Very high95.1Very high0 Ų042.7 Ų42.70%023%0.234CC..EExtended strand (participates in β ladder)trans-103100.5171.9-173.50000110.3E115 M142 L180 M181 T182 R241E115-S222 VanDerWaalsContact OE2-CB 3.31Å; E115-S222 WeakPolarHBondContact OE2-CB 2.98Å; E115-S222 PolarHBondContact OE2-OG 3.23Å; M142-S222 WeakPolarHBondContact SD-CB 3.2Å; L180-S222 PolarHBondContact O-N 2.88Å; M181-S222 WeakPolarHBondContact CA-O 3.49Å; T182-S222 PolarHBondContact N-O 3.11Å; S222-R241 PolarHBondContact O-NH1 3.31Å; S222-R241 PolarHBondContact OG-NH1 3.22Å
223M97.4Very high95.1Very high0 Ų040.7 Ų40.70%022%0.223CC..EExtended strand (participates in β ladder)trans-157.9151.8-17962.3-174.2178.500110.6T182 F198 L201 L202 L221 A232 V235 S237 N239T182-M223 HydrophobicContact CG2-CB 3.95Å; F198-M223 HydrophobicContact CB-CE 4.18Å; F198-M223 HydrophobicContact CB-SD 3.67Å; F198-M223 HydrophobicContact CD1-CB 3.83Å; F198-M223 HydrophobicContact CD1-CG 4.02Å; F198-M223 HydrophobicContact CD1-SD 3.65Å; F198-M223 HydrophobicContact CE1-CB 3.8Å; F198-M223 HydrophobicContact CE1-CG 4.31Å; F198-M223 HydrophobicContact CG-CG 4.38Å; F198-M223 HydrophobicContact CG-SD 3.74Å; L201-M223 HydrophobicContact CB-SD 4.24Å; L201-M223 HydrophobicContact CD2-CB 4.2Å; L201-M223 HydrophobicContact CD2-CG 4.34Å; L201-M223 HydrophobicContact CD2-SD 3.76Å; L202-M223 HydrophobicContact CD1-CE 4.43Å; L202-M223 HydrophobicContact CG-CE 4.27Å; L221-M223 HydrophobicContact CB-CE 4.18Å; L221-M223 HydrophobicContact CD1-CE 3.76Å; M223-A232 HydrophobicContact CG-CB 4.44Å; M223-A232 WeakPolarHBondContact O-CB 3.29Å; M223-V235 HydrophobicContact CE-CG2 4.07Å; M223-S237 WeakPolarHBondContact O-CB 3.26Å; M223-S237 PolarHBondContact O-OG 3.42Å; M223-N239 PolarHBondContact N-O 3.31Å; M223-N239 VanDerWaalsContact N-O 3.11Å; M223-N239 VanDerWaalsContact O-O 3.09Å
224G96.1Very high95.1Very high1 Ų135.8 Ų35.81%0.0120%0.196CC..EExtended strand (participates in β ladder)trans96.2130.8-174.800000113.2D228 R241G224-D228 WeakPolarHBondContact CA-OD1 3.34Å; G224-R241 PolarHBondContact O-N 2.93Å
225M95.2Very high95Very high52 Ų5235.1 Ų35.126%0.25619%0.193SC..EExtended strand (participates in β ladder)trans-125.2-173179.8-63.7-175.6-73.900110.5I183 F186 V227 D228 F229 R241I183-M225 HydrophobicContact CG2-CE 4.41Å; F186-M225 HydrophobicContact CE1-CE 4.1Å; M225-V227 PolarHBondContact O-N 3.08Å; M225-D228 PolarHBondContact N-OD1 3.24Å; M225-D228 PolarHBondContact O-N 3.18Å; M225-D228 VanDerWaalsContact O-N 3.13Å; M225-F229 VanDerWaalsContact O-CB 3.23Å; M225-F229 WeakPolarHBondContact O-CB 3.49Å; M225-F229 WeakPolarHBondContact O-CD1 3.05Å; M225-F229 PolarHBondContact O-N 3.24Å; M225-R241 VanDerWaalsContact CA-O 3.32Å; M225-R241 WeakPolarHBondContact CA-O 3.27Å
226S92.8Very high95.1Very high17 Ų1732.3 Ų32.312%0.11918%0.175CC..THydrogen-bonded Turntrans-45.5-33-176.3-60.10000115.8G243 S244 T245S226-G243 PolarHBondContact OG-N 3.13Å; S226-S244 WeakPolarHBondContact CB-OG 3.25Å; S226-S244 PolarHBondContact OG-OG 3.35Å; S226-T245 WeakPolarHBondContact CB-OG1 2.93Å; S226-T245 PolarHBondContact OG-OG1 3.49Å
227V91.3Very high95.3Very high135 Ų13530.4 Ų30.482%0.81816%0.16SC*.THydrogen-bonded Turntrans-87.7-35.9-174.5-179.70000112.5M225M225-V227 PolarHBondContact O-N 3.08Å
228D93.3Very high95.7Very high26 Ų2626 Ų2614%0.13914%0.137CC..THydrogen-bonded Turntrans-126.76-165.758.90.4000113.8F198 G224 M225 Q230 H231 A232F198-D228 WeakPolarHBondContact CZ-OD2 3.44Å; G224-D228 WeakPolarHBondContact CA-OD1 3.34Å; M225-D228 PolarHBondContact N-OD1 3.24Å; M225-D228 PolarHBondContact O-N 3.18Å; M225-D228 VanDerWaalsContact O-N 3.13Å; D228-Q230 VanDerWaalsContact C-N 3.25Å; D228-Q230 PolarHBondContact O-N 3.33Å; D228-H231 PolarHBondContact O-N 3.22Å; D228-H231 VanDerWaalsContact O-N 3.17Å; D228-A232 PolarHBondContact O-N 3.18Å
229F95.6Very high95.9Very high1 Ų120.1 Ų20.10%0.00411%0.109CC..Hα-helixtrans-58.8-32.2-176.674.5-87000114.3R23 V24 M225 A232 I233 V240 I242R23-F229 HydrophobicContact CB-CE2 3.98Å; R23-F229 HydrophobicContact CB-CZ 3.71Å; V24-F229 HydrophobicContact CG2-CD2 4.07Å; V24-F229 HydrophobicContact CG2-CE2 3.81Å; M225-F229 VanDerWaalsContact O-CB 3.23Å; M225-F229 WeakPolarHBondContact O-CB 3.49Å; M225-F229 WeakPolarHBondContact O-CD1 3.05Å; M225-F229 PolarHBondContact O-N 3.24Å; F229-A232 PolarHBondContact O-N 3.12Å; F229-I233 HydrophobicContact CD2-CD1 4.02Å; F229-I233 VanDerWaalsContact O-CG1 3.26Å; F229-I233 WeakPolarHBondContact O-CG1 3.13Å; F229-I233 PolarHBondContact O-N 3.44Å; F229-V240 HydrophobicContact CB-CB 3.88Å; F229-V240 HydrophobicContact CB-CG1 3.83Å; F229-V240 HydrophobicContact CB-CG2 4.49Å; F229-I242 HydrophobicContact CB-CD1 3.97Å; F229-I242 HydrophobicContact CB-CG1 4.28Å; F229-I242 HydrophobicContact CD1-CD1 3.67Å; F229-I242 HydrophobicContact CD1-CG1 4.32Å; F229-I242 HydrophobicContact CD2-CD1 3.63Å; F229-I242 HydrophobicContact CE1-CD1 3.96Å; F229-I242 HydrophobicContact CE2-CD1 3.94Å; F229-I242 HydrophobicContact CG-CD1 3.47Å; F229-I242 VanDerWaalsContact CG-CD1 3.47Å; F229-I242 HydrophobicContact CG-CG1 4.22Å; F229-I242 HydrophobicContact CZ-CD1 4.08Å
230Q95.8Very high95.9Very high46 Ų4620 Ų2022%0.21511%0.109CC..Hα-helixtrans-65.5-49.4178.3-67.9178.590.100110.3R23 A27 D228 A232 I233 E234R23-Q230 VanDerWaalsContact NH2-NE2 3.1Å; A27-Q230 HydrophobicContact CB-CB 4.06Å; A27-Q230 HydrophobicContact CB-CG 4.24Å; D228-Q230 VanDerWaalsContact C-N 3.25Å; D228-Q230 PolarHBondContact O-N 3.33Å; Q230-A232 VanDerWaalsContact C-N 3.31Å; Q230-A232 PolarHBondContact O-N 3.16Å; Q230-I233 PolarHBondContact O-N 2.99Å; Q230-E234 WeakPolarHBondContact O-CG 3.33Å; Q230-E234 PolarHBondContact O-N 3.18Å
231H94.8Very high96Very high29 Ų2918.9 Ų18.913%0.13410%0.103CC..Hα-helixtrans-59-44.1173.4-179.363.3000111.1L190 N195 F198 D228 I233 E234 V235L190-H231 HydrophobicContact CD1-CB 3.77Å; L190-H231 HydrophobicContact CD2-CB 4.34Å; L190-H231 VanDerWaalsContact CD2-CD2 3.49Å; L190-H231 WeakPolarHBondContact CD2-CD2 3.44Å; N195-H231 PolarHBondContact N-NE2 3.15Å; F198-H231 AromaticContact CD2-CD2 3.77Å; F198-H231 AromaticContact CE2-CD2 3.95Å; D228-H231 PolarHBondContact O-N 3.22Å; D228-H231 VanDerWaalsContact O-N 3.17Å; H231-I233 VanDerWaalsContact C-N 3.3Å; H231-I233 PolarHBondContact O-N 2.93Å; H231-E234 WeakPolarHBondContact O-CB 3.31Å; H231-E234 PolarHBondContact O-N 3.43Å; H231-E234 VanDerWaalsContact O-N 3.16Å; H231-V235 VanDerWaalsContact CE1-CG1 3.48Å; H231-V235 WeakPolarHBondContact CE1-CG1 3.43Å; H231-V235 WeakPolarHBondContact O-CG2 3.44Å; H231-V235 PolarHBondContact O-N 3.18Å
232A96.1Very high96Very high0 Ų018.9 Ų18.90%010%0.103CC..Hα-helixtrans-56.8-43.2176.600000112.1F198 M223 D228 F229 Q230 V235 G236 S237F198-A232 HydrophobicContact CD2-CB 4.1Å; F198-A232 HydrophobicContact CE2-CB 3.58Å; F198-A232 HydrophobicContact CZ-CB 4Å; M223-A232 HydrophobicContact CG-CB 4.44Å; M223-A232 WeakPolarHBondContact O-CB 3.29Å; D228-A232 PolarHBondContact O-N 3.18Å; F229-A232 PolarHBondContact O-N 3.12Å; Q230-A232 VanDerWaalsContact C-N 3.31Å; Q230-A232 PolarHBondContact O-N 3.16Å; A232-V235 WeakPolarHBondContact O-CG2 3.4Å; A232-V235 PolarHBondContact O-N 2.98Å; A232-G236 PolarHBondContact O-N 3.17Å; A232-S237 VanDerWaalsContact C-CB 3.41Å; A232-S237 WeakPolarHBondContact O-CA 3.48Å; A232-S237 WeakPolarHBondContact O-CB 3.48Å; A232-S237 PolarHBondContact O-N 3.21Å
233I96.9Very high95.8Very high0 Ų019.5 Ų19.50%011%0.108CC..Hα-helixtrans-65-44.3176.7-72164.8000111.2V24 A27 V28 R31 P40 F229 Q230 H231 V235 G236 V240V24-I233 HydrophobicContact CB-CD1 4.23Å; V24-I233 HydrophobicContact CG1-CD1 3.97Å; V24-I233 HydrophobicContact CG2-CD1 4.05Å; A27-I233 HydrophobicContact CB-CB 3.8Å; A27-I233 HydrophobicContact CB-CD1 3.97Å; A27-I233 HydrophobicContact CB-CG2 3.67Å; V28-I233 HydrophobicContact CG2-CG2 3.87Å; R31-I233 PolarHBondContact NE-O 3.06Å; R31-I233 PolarHBondContact NH2-O 3.36Å; P40-I233 HydrophobicContact CB-CD1 4.39Å; P40-I233 HydrophobicContact CB-CG1 4.14Å; P40-I233 HydrophobicContact CG-CB 4.46Å; P40-I233 HydrophobicContact CG-CD1 4.27Å; P40-I233 HydrophobicContact CG-CG1 3.89Å; P40-I233 HydrophobicContact CG-CG2 3.88Å; F229-I233 HydrophobicContact CD2-CD1 4.02Å; F229-I233 VanDerWaalsContact O-CG1 3.26Å; F229-I233 WeakPolarHBondContact O-CG1 3.13Å; F229-I233 PolarHBondContact O-N 3.44Å; Q230-I233 PolarHBondContact O-N 2.99Å; H231-I233 VanDerWaalsContact C-N 3.3Å; H231-I233 PolarHBondContact O-N 2.93Å; I233-V235 PolarHBondContact O-N 3.37Å; I233-G236 PolarHBondContact O-N 3.33Å; I233-V240 HydrophobicContact CD1-CG1 4.01Å; I233-V240 HydrophobicContact CD1-CG2 4.31Å; I233-V240 HydrophobicContact CG1-CG1 3.69Å
234E95.1Very high95.5Very high46 Ų4622.8 Ų22.822%0.21513%0.132CC..Hα-helixtrans-59.8-36.6179.2-72.4166-157.100111.2R30 P32 L35 Q230 H231R30-E234 HydrophobicContact CB-CG 3.98Å; R30-E234 IonicContact CZ-OE1 3.72Å; R30-E234 IonicContact NE-OE1 2.67Å; R30-E234 PolarHBondContact NE-OE1 3.34Å; R30-E234 VanDerWaalsContact NE-OE1 3.15Å; R30-E234 IonicContact NH1-OE1 3.18Å; R30-E234 PolarHBondContact NH1-OE1 2.9Å; R30-E234 IonicContact NH2-OE1 2.7Å; R30-E234 PolarHBondContact NH2-OE1 3.27Å; P32-E234 WeakPolarHBondContact CD-O 3.34Å; L35-E234 WeakPolarHBondContact CD1-O 3.48Å; Q230-E234 WeakPolarHBondContact O-CG 3.33Å; Q230-E234 PolarHBondContact O-N 3.18Å; H231-E234 WeakPolarHBondContact O-CB 3.31Å; H231-E234 PolarHBondContact O-N 3.43Å; H231-E234 VanDerWaalsContact O-N 3.16Å
235V93.9Very high95.3Very high20 Ų2024.3 Ų24.312%0.12114%0.141CC..THydrogen-bonded Turntrans-89.97176.4-52.40000114.2F198 L202 M223 H231 A232 I233F198-V235 HydrophobicContact CB-CG2 3.86Å; F198-V235 HydrophobicContact CD2-CG2 3.97Å; F198-V235 HydrophobicContact CG-CG2 4.33Å; L202-V235 HydrophobicContact CD1-CB 4.14Å; L202-V235 HydrophobicContact CD1-CG2 4.27Å; L202-V235 WeakPolarHBondContact CD1-O 3.28Å; L202-V235 VanDerWaalsContact CD2-O 3.29Å; L202-V235 WeakPolarHBondContact CD2-O 3.49Å; M223-V235 HydrophobicContact CE-CG2 4.07Å; H231-V235 VanDerWaalsContact CE1-CG1 3.48Å; H231-V235 WeakPolarHBondContact CE1-CG1 3.43Å; H231-V235 WeakPolarHBondContact O-CG2 3.44Å; H231-V235 PolarHBondContact O-N 3.18Å; A232-V235 WeakPolarHBondContact O-CG2 3.4Å; A232-V235 PolarHBondContact O-N 2.98Å; I233-V235 PolarHBondContact O-N 3.37Å
236G94.8Very high95.3Very high3 Ų322 Ų223%0.03113%0.129CC..THydrogen-bonded Turntrans108.115.5168.900000116.8A232 I233A232-G236 PolarHBondContact O-N 3.17Å; I233-G236 PolarHBondContact O-N 3.33Å
237S97.1Very high95.4Very high0 Ų021.5 Ų21.50%013%0.125CC..  trans-60.2137.3170-176.20000111.5R31 L221 M223 A232 N239R31-S237 PolarHBondContact NH2-O 3.44Å; L221-S237 PolarHBondContact O-OG 3.36Å; M223-S237 WeakPolarHBondContact O-CB 3.26Å; M223-S237 PolarHBondContact O-OG 3.42Å; A232-S237 VanDerWaalsContact C-CB 3.41Å; A232-S237 WeakPolarHBondContact O-CA 3.48Å; A232-S237 WeakPolarHBondContact O-CB 3.48Å; A232-S237 PolarHBondContact O-N 3.21Å; S237-N239 PolarHBondContact OG-N 3.2Å; S237-N239 PolarHBondContact OG-O 3.11Å
238T97.8Very high95.2Very high5 Ų516.2 Ų16.23%0.03110%0.098CC..SBendtrans-108.2-13.2176.562.60000112.1I38 P40 R41 E220 L221I38-T238 HydrophobicContact CB-CG2 4.33Å; I38-T238 HydrophobicContact CD1-CG2 3.98Å; I38-T238 HydrophobicContact CG2-CG2 4.01Å; P40-T238 CarbonylContact C-O 3.54Å; P40-T238 WeakPolarHBondContact CA-O 3.25Å; R41-T238 PolarHBondContact N-O 3.16Å; E220-T238 WeakPolarHBondContact CA-OG1 3.24Å; E220-T238 VanDerWaalsContact CB-OG1 3.31Å; E220-T238 WeakPolarHBondContact CB-OG1 3.29Å; L221-T238 PolarHBondContact N-OG1 3Å; L221-T238 PolarHBondContact O-N 3.4Å; L221-T238 PolarHBondContact O-OG1 2.94Å
239N98.3Very high94.5Very high0 Ų023.6 Ų23.60%013%0.131CC..EExtended strand (participates in β ladder)trans-137.9119.4176.9-71.4-98.4000108.9R41 M142 E220 L221 M223 S237R41-N239 WeakPolarHBondContact CD-OD1 3.48Å; R41-N239 PolarHBondContact NH1-ND2 2.74Å; R41-N239 PolarHBondContact NH1-OD1 3.47Å; R41-N239 WeakPolarHBondContact O-CA 3.47Å; M142-N239 WeakPolarHBondContact CE-ND2 3.38Å; E220-N239 PolarHBondContact OE2-ND2 3.07Å; L221-N239 PolarHBondContact O-N 3.28Å; M223-N239 PolarHBondContact N-O 3.31Å; M223-N239 VanDerWaalsContact N-O 3.11Å; M223-N239 VanDerWaalsContact O-O 3.09Å; S237-N239 PolarHBondContact OG-N 3.2Å; S237-N239 PolarHBondContact OG-O 3.11Å
240V98.4Very high93.3Very high0 Ų029.4 Ų29.40%015%0.153CC..EExtended strand (participates in β ladder)trans-113.8132.4174.8-68.20000110.4V24 R41 L42 V43 F229 I233 I242V24-V240 HydrophobicContact CG2-CG2 4.34Å; R41-V240 PolarHBondContact O-N 3.05Å; L42-V240 HydrophobicContact CD1-CG2 4.18Å; V43-V240 PolarHBondContact N-O 3.3Å; F229-V240 HydrophobicContact CB-CB 3.88Å; F229-V240 HydrophobicContact CB-CG1 3.83Å; F229-V240 HydrophobicContact CB-CG2 4.49Å; I233-V240 HydrophobicContact CD1-CG1 4.01Å; I233-V240 HydrophobicContact CD1-CG2 4.31Å; I233-V240 HydrophobicContact CG1-CG1 3.69Å; V240-I242 HydrophobicContact CB-CG1 4.48Å; V240-I242 HydrophobicContact CG2-CD1 4.12Å; V240-I242 HydrophobicContact CG2-CG1 4.45Å
241R98.4Very high91.7Very high16 Ų1631.2 Ų31.26%0.0616%0.164CC..EExtended strand (participates in β ladder)trans-108.895.4-169.6-58.7177-56.5-92.5-1.8110.2V43 V45 T182 S222 G224 M225V43-R241 HydrophobicContact CB-CG 4.21Å; V43-R241 WeakPolarHBondContact O-CA 3.19Å; V45-R241 HydrophobicContact CG2-CB 3.81Å; T182-R241 PolarHBondContact O-NH2 3Å; S222-R241 PolarHBondContact O-NH1 3.31Å; S222-R241 PolarHBondContact OG-NH1 3.22Å; G224-R241 PolarHBondContact O-N 2.93Å; M225-R241 VanDerWaalsContact CA-O 3.32Å; M225-R241 WeakPolarHBondContact CA-O 3.27Å
242I97.8Very high89.8Confident0 Ų037.4 Ų37.40%019%0.188CC..EExtended strand (participates in β ladder)trans-113.4124.5-168.8-55.2-179.8000109.8V20 L42 V43 V45 F229 V240 I246V20-I242 HydrophobicContact CG1-CD1 3.54Å; V20-I242 HydrophobicContact CG1-CG2 4.32Å; V20-I242 HydrophobicContact CG2-CG2 4.32Å; L42-I242 HydrophobicContact CD1-CB 3.96Å; L42-I242 HydrophobicContact CD1-CD1 3.58Å; L42-I242 HydrophobicContact CD1-CG1 3.87Å; V43-I242 PolarHBondContact O-N 3.21Å; V45-I242 PolarHBondContact N-O 3.43Å; F229-I242 HydrophobicContact CB-CD1 3.97Å; F229-I242 HydrophobicContact CB-CG1 4.28Å; F229-I242 HydrophobicContact CD1-CD1 3.67Å; F229-I242 HydrophobicContact CD1-CG1 4.32Å; F229-I242 HydrophobicContact CD2-CD1 3.63Å; F229-I242 HydrophobicContact CE1-CD1 3.96Å; F229-I242 HydrophobicContact CE2-CD1 3.94Å; F229-I242 HydrophobicContact CG-CD1 3.47Å; F229-I242 VanDerWaalsContact CG-CD1 3.47Å; F229-I242 HydrophobicContact CG-CG1 4.22Å; F229-I242 HydrophobicContact CZ-CD1 4.08Å; V240-I242 HydrophobicContact CB-CG1 4.48Å; V240-I242 HydrophobicContact CG2-CD1 4.12Å; V240-I242 HydrophobicContact CG2-CG1 4.45Å; I242-I246 HydrophobicContact CB-CD1 4.15Å; I242-I246 HydrophobicContact CG2-CD1 4.1Å; I242-I246 HydrophobicContact CG2-CG1 4.03Å
243G95.6Very high87.5Confident12 Ų1241.9 Ų41.912%0.12422%0.219CC..  trans-120.2-74.6-176.900000112.9V45 S226 T245 I246 F247V45-G243 WeakPolarHBondContact O-CA 3.24Å; S226-G243 PolarHBondContact OG-N 3.13Å; G243-T245 PolarHBondContact O-N 3.01Å; G243-T245 VanDerWaalsContact O-N 3.15Å; G243-I246 PolarHBondContact O-N 2.91Å; G243-F247 PolarHBondContact O-N 2.99Å
244S90.9Very high85Confident70 Ų7049.3 Ų49.349%0.4925%0.251SS..Hα-helixtrans-55.7-33.8-174.9500000114.2S226 I246 G248S226-S244 WeakPolarHBondContact CB-OG 3.25Å; S226-S244 PolarHBondContact OG-OG 3.35Å; S244-I246 VanDerWaalsContact C-N 3.29Å; S244-I246 PolarHBondContact O-N 3.44Å; S244-G248 VanDerWaalsContact O-CA 3.26Å; S244-G248 WeakPolarHBondContact O-CA 3.08Å; S244-G248 PolarHBondContact O-N 3.29Å
245T92.4Very high82.2Confident32 Ų3255.4 Ų55.420%0.19628%0.277CS..Hα-helixtrans-69.9-25.6177.7-47.60000112.8V20 S226 G243V20-T245 HydrophobicContact CG2-CG2 3.52Å; S226-T245 WeakPolarHBondContact CB-OG1 2.93Å; S226-T245 PolarHBondContact OG-OG1 3.49Å; G243-T245 PolarHBondContact O-N 3.01Å; G243-T245 VanDerWaalsContact O-N 3.15Å
246I95.2Very high79.7Confident4 Ų458 Ų582%0.02130%0.295CS..Hα-helixtrans-93.2-48-179.9-63.3172.9000110.9V13 A16 L17 V20 L42 A44 I242 G243 S244V13-I246 HydrophobicContact CG1-CG2 3.95Å; A16-I246 WeakPolarHBondContact CB-O 3.3Å; L17-I246 HydrophobicContact CD1-CD1 4.03Å; L17-I246 HydrophobicContact CD1-CG1 4.49Å; L17-I246 HydrophobicContact CD1-CG2 4.47Å; V20-I246 HydrophobicContact CB-CG1 4.39Å; V20-I246 HydrophobicContact CG1-CD1 4.46Å; V20-I246 HydrophobicContact CG2-CG1 3.9Å; L42-I246 HydrophobicContact CD1-CD1 4.37Å; L42-I246 HydrophobicContact CD2-CD1 4.36Å; A44-I246 HydrophobicContact CB-CD1 3.96Å; I242-I246 HydrophobicContact CB-CD1 4.15Å; I242-I246 HydrophobicContact CG2-CD1 4.1Å; I242-I246 HydrophobicContact CG2-CG1 4.03Å; G243-I246 PolarHBondContact O-N 2.91Å; S244-I246 VanDerWaalsContact C-N 3.29Å; S244-I246 PolarHBondContact O-N 3.44Å
247F94.4Very high77Confident7 Ų763.6 Ų63.63%0.03133%0.328CS..Hα-helixtrans-106.43.4-168.5-59.2-71.2000114.2V13 A44 V45 K49 M53 A57 F65 G243V13-F247 HydrophobicContact CG1-CD1 4Å; V13-F247 HydrophobicContact CG1-CE1 3.82Å; V13-F247 HydrophobicContact CG2-CD1 4.16Å; A44-F247 HydrophobicContact CB-CE2 4.04Å; A44-F247 HydrophobicContact CB-CZ 4.13Å; V45-F247 WeakPolarHBondContact O-CD2 3.42Å; K49-F247 HydrophobicContact CD-CB 3.8Å; K49-F247 WeakPolarHBondContact CE-O 3.48Å; K49-F247 HydrophobicContact CG-CB 3.75Å; K49-F247 HydrophobicContact CG-CD2 4.49Å; K49-F247 HydrophobicContact CG-CG 4.06Å; K49-F247 PolarHBondContact NZ-O 3.5Å; M53-F247 HydrophobicContact CB-CD1 4.01Å; M53-F247 HydrophobicContact CB-CE1 4.23Å; M53-F247 HydrophobicContact SD-CD1 4.41Å; A57-F247 HydrophobicContact CB-CE1 4.06Å; A57-F247 HydrophobicContact CB-CZ 4.24Å; F65-F247 HydrophobicContact CD1-CZ 4.49Å; F65-F247 HydrophobicContact CE1-CZ 4.25Å; G243-F247 PolarHBondContact O-N 2.99Å
248G87.1Confident74.3Confident23 Ų2368.6 Ų68.624%0.23736%0.361CS..  trans73-174.8-175.400000114.2K49 S244K49-G248 PolarHBondContact NZ-O 3.37Å; S244-G248 VanDerWaalsContact O-CA 3.26Å; S244-G248 WeakPolarHBondContact O-CA 3.08Å; S244-G248 PolarHBondContact O-N 3.29Å
249E78.5Confident71.7Confident181 Ų18173.3 Ų73.385%0.84639%0.386SS*.SBendtrans-63.7156.1-178.8-67.3-167.1169.900113.3K49K49-E249 PolarHBondContact NZ-O 3.43Å
250R70.3Confident68.7Low123 Ų12382.3 Ų82.346%0.46443%0.425SS..  trans-73.8136.5-177.2-62.1-179-168.3159.68109.8Y252R250-Y252 HydrophobicContact CB-CD2 4.28Å; R250-Y252 HydrophobicContact CB-CE2 3.9Å; R250-Y252 VanDerWaalsContact O-CD2 3.3Å; R250-Y252 WeakPolarHBondContact O-CD2 3.31Å; R250-Y252 PolarHBondContact O-N 2.91Å
251D61.2Low65.4Low84 Ų8488 Ų8845%0.44946%0.463SS..  trans-81.499.5166.5-175.5-2.4000108.6S253D251-S253 PolarHBondContact O-N 2.73Å; D251-S253 VanDerWaalsContact OD1-CB 3.25Å; D251-S253 WeakPolarHBondContact OD1-CB 3.38Å; D251-S253 PolarHBondContact OD1-N 3.26Å; D251-S253 PolarHBondContact OD1-OG 2.92Å; D251-S253 PolarHBondContact OD2-OG 2.65Å
252Y55.3Low62.4Low159 Ų15992.3 Ų92.362%0.62450%0.502SS*.THydrogen-bonded Turntrans-73.1-4.3-179.1-70.6-85.4000113.6R250 K254R250-Y252 HydrophobicContact CB-CD2 4.28Å; R250-Y252 HydrophobicContact CB-CE2 3.9Å; R250-Y252 VanDerWaalsContact O-CD2 3.3Å; R250-Y252 WeakPolarHBondContact O-CD2 3.31Å; R250-Y252 PolarHBondContact O-N 2.91Å; Y252-K254 VanDerWaalsContact C-N 3.26Å; Y252-K254 PolarHBondContact O-N 3.04Å
253S47.7Very low59.4Low95 Ų9596.7 Ų96.766%0.66454%0.538SS*.THydrogen-bonded Turntrans-73.2-17.617872.40000113.4D251D251-S253 PolarHBondContact O-N 2.73Å; D251-S253 VanDerWaalsContact OD1-CB 3.25Å; D251-S253 WeakPolarHBondContact OD1-CB 3.38Å; D251-S253 PolarHBondContact OD1-N 3.26Å; D251-S253 PolarHBondContact OD1-OG 2.92Å; D251-S253 PolarHBondContact OD2-OG 2.65Å
254K45.1Very low56.4Low156 Ų156103.5 Ų103.568%0.67857%0.572SS**  trans-116.667.4-179.4-63.3-179.6-175.8175.10111.2Y252 P256Y252-K254 VanDerWaalsContact C-N 3.26Å; Y252-K254 PolarHBondContact O-N 3.04Å; K254-P256 WeakPolarHBondContact O-CD 3.46Å
255K36.7Very low53.8Low174 Ų174107 Ų10776%0.75759%0.59SS**PPolyproline II helixtrans-73.3122.9168.1-80.1-175.6-174.6177.90109.2T257K255-T257 PolarHBondContact O-N 3.17Å
256P41.2Very low51Low75 Ų75115 Ų11549%0.48762%0.622SS.*PPolyproline II helixtrans-62.5129.6160.325.5-28.8000107.6K254K254-P256 WeakPolarHBondContact O-CD 3.46Å
257T38.5Very low48.1Very low119 Ų119118.7 Ų118.773%0.7365%0.653SS**PPolyproline II helixtrans-53.9128.9175.121.10000109.3K255 D259K255-T257 PolarHBondContact O-N 3.17Å; T257-D259 PolarHBondContact O-N 3.25Å
258P40.2Very low45.2Very low106 Ų106124.2 Ų124.269%0.68869%0.69SS**PPolyproline II helixtrans-58.7139.2170.723.6-29.8000108.7K260P258-K260 PolarHBondContact O-N 3.35Å
259D41.6Very low42.7Very low103 Ų103131.1 Ų131.155%0.55172%0.72SS**  trans-47.599.1175.7-82.5-28.5000109.2N101 T257 C261N101-D259 PolarHBondContact ND2-OD2 3.28Å; T257-D259 PolarHBondContact O-N 3.25Å; D259-C261 PolarHBondContact O-N 3.32Å
260K36.4Very low40.6Very low190 Ų190131.7 Ų131.783%0.82672%0.723SS**  trans-77.2119176.5-80.7-171.4176.2-178.30108.1P258 A262P258-K260 PolarHBondContact O-N 3.35Å; K260-A262 PolarHBondContact O-N 3.19Å
261C29.8Very low38.9Very low120 Ų120132.2 Ų132.281%0.81174%0.739SS**  trans-52.3126.1158.4-76.80000109.3D259 A263D259-C261 PolarHBondContact O-N 3.32Å; C261-A263 PolarHBondContact O-N 2.96Å; C261-A263 VanDerWaalsContact O-N 3.11Å
262A34.8Very low37.7Very low105 Ų105132.7 Ų132.787%0.86876%0.755SS**  trans-69.5100.6159.200000107K260K260-A262 PolarHBondContact O-N 3.19Å
263A34.1Very low36.7Very low92 Ų92133.9 Ų133.976%0.7677%0.766SS**  trans-87.3136.616500000108.5C261C261-A263 PolarHBondContact O-N 2.96Å; C261-A263 VanDerWaalsContact O-N 3.11Å
264D34Very low36Very low155 Ų155138.3 Ų138.383%0.82978%0.777SS**  trans-42.2134.9-172.7-65.3-58.6000116.3K266D264-K266 PolarHBondContact O-N 3.35Å
265V35.2Very low35.6Very low143 Ų143143.3 Ų143.387%0.86780%0.802SS**  trans-66.3107.7159.7177.50000107.8
266K33.9Very low35.6Very low201 Ų201141.8 Ų141.887%0.87480%0.804SS**  trans-111.6113.9155-92.2-175.5175.4179.60108.7D264D264-K266 PolarHBondContact O-N 3.35Å
267A33.4Very low35.3Very low81 Ų81145.3 Ų145.367%0.66982%0.821SS**PPolyproline II helixtrans-61.4147173.200000110.9L269A267-L269 PolarHBondContact O-N 3.02Å
268P33.9Very low35.1Very low124 Ų124146.8 Ų146.881%0.80583%0.826SS**PPolyproline II helixtrans-73.6126.1171-4.421.4000109.6E270P268-E270 PolarHBondContact O-N 3.43Å
269L34.2Very low34.8Very low168 Ų168149.2 Ų149.288%0.8883%0.834SS**PPolyproline II helixtrans-72.7116.9161.2-87.7143.5000107.9A267 V271A267-L269 PolarHBondContact O-N 3.02Å; L269-V271 PolarHBondContact O-N 3.31Å
270E34.3Very low34.4Very low192 Ų192152.1 Ų152.190%0.89785%0.852SS**PPolyproline II helixtrans-58.8122166.9-75.9174.9141.700109.6P268 A272P268-E270 PolarHBondContact O-N 3.43Å; E270-A272 PolarHBondContact O-N 3.14Å
271V35.9Very low34.2Very low134 Ų134149.5 Ų149.581%0.81285%0.854SS**  trans-88.299.9164.7179.70000106.4L269 Q273L269-V271 PolarHBondContact O-N 3.31Å; V271-Q273 PolarHBondContact O-N 3.05Å
272A35.1Very low34.5Very low95 Ų95151.6 Ų151.679%0.78586%0.857SS**  trans-71116.3164.900000108.6E270E270-A272 PolarHBondContact O-N 3.14Å
273Q34.5Very low34.5Very low183 Ų183155.2 Ų155.286%0.85586%0.856SS**  trans-78.4126.8155.7-72.8176.6-4900107.4V271V271-Q273 PolarHBondContact O-N 3.05Å
274E32.8Very low34.6Very low189 Ų189160.5 Ų160.588%0.88386%0.864SS**  trans-167.5149.9138.4-107.1169.3-166.500110.3
275H37.6Very low34.6Very low261 Ų261161 Ų161100%1.20887%0.867SS**  trans-36.80-171-69.6-80.9000119.8

Retrieved 275 of 275 residues in 123.9 ms (Link to these results)

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