A0A096NUH9_PAPAN Loading...

Parvalbumin

In muscle, parvalbumin is thought to be involved in relaxation after contraction. It binds two calcium ions.

AlphaFold DB (P0CE71), UniProt , Accession A0A096NUH9, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 109 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
1M62.1Low85.2Confident213 Ų21375.8 Ų75.8100%1.04944%0.436SS*.  0137.90-70.5174.7-165.900106.3F50M1-F50 WeakPolarHBondContact O-CE2 3.39Å
2S78.1Confident85.9Confident56 Ų5669.9 Ų69.939%0.39240%0.402SS..  trans-106.5148.7172.4-1770000107.9T4 D5S2-T4 VanDerWaalsContact CB-OG1 3.25Å; S2-T4 WeakPolarHBondContact CB-OG1 3.23Å; S2-T4 PolarHBondContact O-N 2.85Å; S2-T4 VanDerWaalsContact O-N 3.11Å; S2-T4 PolarHBondContact OG-N 2.98Å; S2-T4 PolarHBondContact OG-OG1 3.06Å; S2-D5 PolarHBondContact N-OD2 3.13Å; S2-D5 VanDerWaalsContact O-CB 3.27Å; S2-D5 WeakPolarHBondContact O-CB 2.74Å; S2-D5 PolarHBondContact O-N 3.39Å
3I84.1Confident86.5Confident5 Ų567.9 Ų67.93%0.02640%0.399CS..G310 helixtrans-58.9-24.2170.7-159.773.5000111.1D5 V6 L7 I12 V47 F50 F71I3-D5 PolarHBondContact O-N 2.72Å; I3-V6 HydrophobicContact CD1-CG2 3.96Å; I3-V6 HydrophobicContact CG1-CG2 4.24Å; I3-V6 WeakPolarHBondContact O-CG2 2.92Å; I3-V6 PolarHBondContact O-N 2.98Å; I3-L7 HydrophobicContact CD1-CD1 4.49Å; I3-L7 HydrophobicContact CG1-CD1 3.85Å; I3-L7 HydrophobicContact CG1-CG 4.48Å; I3-L7 PolarHBondContact O-N 3.12Å; I3-I12 HydrophobicContact CG2-CD1 3.55Å; I3-V47 HydrophobicContact CD1-CB 4.37Å; I3-V47 HydrophobicContact CD1-CG1 4.04Å; I3-V47 HydrophobicContact CD1-CG2 3.98Å; I3-F50 HydrophobicContact CB-CE1 4.41Å; I3-F50 HydrophobicContact CD1-CD1 4.02Å; I3-F50 HydrophobicContact CD1-CG 4.27Å; I3-F71 HydrophobicContact CD1-CE1 4.36Å; I3-F71 HydrophobicContact CG1-CD1 3.89Å; I3-F71 HydrophobicContact CG1-CE1 4.03Å; I3-F71 HydrophobicContact CG2-CD1 4.49Å; I3-F71 WeakPolarHBondContact CG2-O 3.45Å
4T85.1Confident87.2Confident69 Ų6965.9 Ų65.942%0.42339%0.394SS..G310 helixtrans-69.9-7.9176.662.10000113.5S2 V6 L7 A9 I12S2-T4 VanDerWaalsContact CB-OG1 3.25Å; S2-T4 WeakPolarHBondContact CB-OG1 3.23Å; S2-T4 PolarHBondContact O-N 2.85Å; S2-T4 VanDerWaalsContact O-N 3.11Å; S2-T4 PolarHBondContact OG-N 2.98Å; S2-T4 PolarHBondContact OG-OG1 3.06Å; T4-V6 VanDerWaalsContact C-N 3.26Å; T4-L7 CarbonylContact C-O 3.48Å; T4-L7 VanDerWaalsContact CA-O 3.28Å; T4-L7 WeakPolarHBondContact CA-O 3.49Å; T4-A9 HydrophobicContact CG2-CB 4.19Å; T4-I12 HydrophobicContact CG2-CD1 4.19Å
5D84.8Confident87.7Confident116 Ų11661.6 Ų61.662%0.6237%0.369SS*.G310 helixtrans-75-21.7170.3-61.3-32.3000111S2 I3S2-D5 PolarHBondContact N-OD2 3.13Å; S2-D5 VanDerWaalsContact O-CB 3.27Å; S2-D5 WeakPolarHBondContact O-CB 2.74Å; S2-D5 PolarHBondContact O-N 3.39Å; I3-D5 PolarHBondContact O-N 2.72Å
6V84Confident88.1Confident56 Ų5658.8 Ų58.834%0.33935%0.351SS..THydrogen-bonded Turntrans-114.4-33.8-178.9-67.10000113.2I3 T4 M39 V47I3-V6 HydrophobicContact CD1-CG2 3.96Å; I3-V6 HydrophobicContact CG1-CG2 4.24Å; I3-V6 WeakPolarHBondContact O-CG2 2.92Å; I3-V6 PolarHBondContact O-N 2.98Å; T4-V6 VanDerWaalsContact C-N 3.26Å; V6-M39 HydrophobicContact CB-CE 3.84Å; V6-M39 HydrophobicContact CG2-CE 4.4Å; V6-M39 WeakPolarHBondContact O-CE 3.24Å; V6-V47 HydrophobicContact CG2-CG2 4.1Å
7L88.1Confident88.5Confident10 Ų1063.3 Ų63.35%0.05237%0.368CS..SBendtrans-114.1155.2179.9-65.3172.4000111.8I3 T4 I12 S34 L36 M39 F71I3-L7 HydrophobicContact CD1-CD1 4.49Å; I3-L7 HydrophobicContact CG1-CD1 3.85Å; I3-L7 HydrophobicContact CG1-CG 4.48Å; I3-L7 PolarHBondContact O-N 3.12Å; T4-L7 CarbonylContact C-O 3.48Å; T4-L7 VanDerWaalsContact CA-O 3.28Å; T4-L7 WeakPolarHBondContact CA-O 3.49Å; L7-I12 HydrophobicContact CB-CD1 3.7Å; L7-I12 HydrophobicContact CB-CG1 4.01Å; L7-I12 HydrophobicContact CD1-CD1 4.32Å; L7-I12 HydrophobicContact CD1-CG1 4.21Å; L7-S34 WeakPolarHBondContact CD2-O 3.32Å; L7-L36 HydrophobicContact CD1-CD1 4.35Å; L7-L36 HydrophobicContact CD1-CD2 4.02Å; L7-L36 HydrophobicContact CD1-CG 3.89Å; L7-L36 HydrophobicContact CD2-CD2 4.09Å; L7-L36 HydrophobicContact CD2-CG 4.05Å; L7-L36 HydrophobicContact CG-CD2 4.5Å; L7-M39 HydrophobicContact CD2-CE 3.32Å; L7-M39 HydrophobicContact CD2-SD 3.75Å; L7-M39 HydrophobicContact CG-CE 3.9Å; L7-F71 HydrophobicContact CD1-CD1 3.98Å; L7-F71 HydrophobicContact CD1-CE1 3.66Å
8S90.6Very high88.6Confident50 Ų5064.1 Ų64.135%0.3537%0.367SS..  trans-71.6133.7172.5179.10000110.4D10 D11 I12S8-D10 PolarHBondContact O-N 3.26Å; S8-D10 PolarHBondContact OG-N 3.45Å; S8-D11 WeakPolarHBondContact CB-OD2 3.38Å; S8-D11 PolarHBondContact O-N 2.86Å; S8-I12 WeakPolarHBondContact O-CG1 3.38Å; S8-I12 PolarHBondContact O-N 3.07Å
9A91.6Very high88.7Confident56 Ų5660.9 Ų60.946%0.46335%0.349SS..Hα-helixtrans-59.9-34.9174.200000112T4 I12 A13T4-A9 HydrophobicContact CG2-CB 4.19Å; A9-I12 PolarHBondContact O-N 2.83Å; A9-A13 VanDerWaalsContact O-CB 3.31Å; A9-A13 WeakPolarHBondContact O-CB 3.45Å; A9-A13 PolarHBondContact O-N 2.65Å
10D93.8Very high88.8Confident130 Ų13064 Ų6470%0.69536%0.36SS*.Hα-helixtrans-67.3-39.8177.9-66.4-20.5000111.5S8 A13 A14S8-D10 PolarHBondContact O-N 3.26Å; S8-D10 PolarHBondContact OG-N 3.45Å; D10-A13 PolarHBondContact O-N 2.95Å; D10-A14 WeakPolarHBondContact O-CB 3.33Å; D10-A14 PolarHBondContact O-N 2.76Å
11D94.9Very high89Confident73 Ų7365.2 Ų65.239%0.3937%0.366SS..Hα-helixtrans-70-40.2178.8-68.4-20.3000110.8S8 A14 A15 T33 S34S8-D11 WeakPolarHBondContact CB-OD2 3.38Å; S8-D11 PolarHBondContact O-N 2.86Å; D11-A14 PolarHBondContact O-N 2.71Å; D11-A15 WeakPolarHBondContact O-CB 3.44Å; D11-A15 PolarHBondContact O-N 2.88Å; D11-T33 WeakPolarHBondContact CB-O 3.14Å; D11-S34 WeakPolarHBondContact CB-O 3.27Å
12I93.6Very high90.4Very high5 Ų559.1 Ų59.13%0.02634%0.343CS..Hα-helixtrans-60.6-50.1172.8-70.5162.7000110.5I3 T4 L7 S8 A9 A14 A15 L16 F71I3-I12 HydrophobicContact CG2-CD1 3.55Å; T4-I12 HydrophobicContact CG2-CD1 4.19Å; L7-I12 HydrophobicContact CB-CD1 3.7Å; L7-I12 HydrophobicContact CB-CG1 4.01Å; L7-I12 HydrophobicContact CD1-CD1 4.32Å; L7-I12 HydrophobicContact CD1-CG1 4.21Å; S8-I12 WeakPolarHBondContact O-CG1 3.38Å; S8-I12 PolarHBondContact O-N 3.07Å; A9-I12 PolarHBondContact O-N 2.83Å; I12-A14 VanDerWaalsContact C-N 3.3Å; I12-A14 PolarHBondContact O-N 3.34Å; I12-A15 PolarHBondContact O-N 2.85Å; I12-A15 VanDerWaalsContact O-N 3.15Å; I12-L16 HydrophobicContact CG2-CD1 3.67Å; I12-L16 HydrophobicContact CG2-CG 4.25Å; I12-L16 WeakPolarHBondContact O-CB 3.05Å; I12-L16 WeakPolarHBondContact O-CG 3.12Å; I12-L16 PolarHBondContact O-N 2.98Å; I12-F71 HydrophobicContact CG1-CD1 4.3Å; I12-F71 HydrophobicContact CG2-CB 3.8Å
13A94.3Very high91Very high44 Ų4461.5 Ų61.536%0.36435%0.351SS..Hα-helixtrans-60.6-41.4-179.500000111.4A9 D10 L16 Q17A9-A13 VanDerWaalsContact O-CB 3.31Å; A9-A13 WeakPolarHBondContact O-CB 3.45Å; A9-A13 PolarHBondContact O-N 2.65Å; D10-A13 PolarHBondContact O-N 2.95Å; A13-L16 PolarHBondContact O-N 2.77Å; A13-Q17 VanDerWaalsContact O-CB 3.29Å; A13-Q17 WeakPolarHBondContact O-CB 3.24Å; A13-Q17 PolarHBondContact O-N 2.94Å
14A95.5Very high91.4Very high40 Ų4063.9 Ų63.933%0.33137%0.366SS..Hα-helixtrans-61-47174.200000111.6D10 D11 I12 L16 Q17 E18 T33D10-A14 WeakPolarHBondContact O-CB 3.33Å; D10-A14 PolarHBondContact O-N 2.76Å; D11-A14 PolarHBondContact O-N 2.71Å; I12-A14 VanDerWaalsContact C-N 3.3Å; I12-A14 PolarHBondContact O-N 3.34Å; A14-L16 PolarHBondContact O-N 3.17Å; A14-Q17 PolarHBondContact O-N 3.25Å; A14-E18 WeakPolarHBondContact O-CG 3.47Å; A14-E18 PolarHBondContact O-N 3.33Å; A14-T33 HydrophobicContact CB-CG2 3.7Å
15A95.3Very high91.9Very high1 Ų161.4 Ų61.41%0.00835%0.349CS..Hα-helixtrans-64.2-39.3-18000000112.4D11 I12 E18 C19 F30 T33D11-A15 WeakPolarHBondContact O-CB 3.44Å; D11-A15 PolarHBondContact O-N 2.88Å; I12-A15 PolarHBondContact O-N 2.85Å; I12-A15 VanDerWaalsContact O-N 3.15Å; A15-E18 PolarHBondContact O-N 3.28Å; A15-C19 PolarHBondContact O-SG 2.86Å; A15-F30 HydrophobicContact CB-CD2 3.62Å; A15-F30 HydrophobicContact CB-CE2 3.64Å; A15-F30 HydrophobicContact CB-CG 4.26Å; A15-F30 HydrophobicContact CB-CZ 4.3Å; A15-T33 HydrophobicContact CB-CG2 3.9Å
16L94.3Very high92.2Very high17 Ų1761.5 Ų61.59%0.08935%0.346CS..Hα-helixtrans-68.8-37.5176-71.1173000112.5I12 A13 A14 E18 C19 Q20 F30 L68 E72 A75I12-L16 HydrophobicContact CG2-CD1 3.67Å; I12-L16 HydrophobicContact CG2-CG 4.25Å; I12-L16 WeakPolarHBondContact O-CB 3.05Å; I12-L16 WeakPolarHBondContact O-CG 3.12Å; I12-L16 PolarHBondContact O-N 2.98Å; A13-L16 PolarHBondContact O-N 2.77Å; A14-L16 PolarHBondContact O-N 3.17Å; L16-E18 VanDerWaalsContact C-N 3.25Å; L16-E18 PolarHBondContact O-N 2.83Å; L16-C19 CarbonylContact O-C 3.44Å; L16-C19 PolarHBondContact O-N 2.89Å; L16-Q20 PolarHBondContact O-N 2.82Å; L16-Q20 VanDerWaalsContact O-N 3.1Å; L16-F30 HydrophobicContact CD2-CE2 3.98Å; L16-F30 HydrophobicContact CG-CE2 4.33Å; L16-L68 HydrophobicContact CD2-CB 3.89Å; L16-L68 HydrophobicContact CD2-CD2 3.91Å; L16-L68 HydrophobicContact CD2-CG 4.32Å; L16-E72 HydrophobicContact CD1-CB 3.34Å; L16-E72 HydrophobicContact CD1-CG 4.3Å; L16-E72 VanDerWaalsContact CD1-OE2 3.26Å; L16-E72 WeakPolarHBondContact CD1-OE2 3.31Å; L16-A75 HydrophobicContact CD1-CB 4.4Å; L16-A75 HydrophobicContact CD2-CB 3.85Å
17Q93.5Very high92.6Very high135 Ų13560 Ų6063%0.63134%0.338SS*.Hα-helixtrans-63.4-33.5176.1-172.9178.3-21.100111.9A13 A14 C19 Q20A13-Q17 VanDerWaalsContact O-CB 3.29Å; A13-Q17 WeakPolarHBondContact O-CB 3.24Å; A13-Q17 PolarHBondContact O-N 2.94Å; A14-Q17 PolarHBondContact O-N 3.25Å; Q17-C19 VanDerWaalsContact C-N 3.29Å; Q17-C19 PolarHBondContact O-N 3.49Å; Q17-Q20 WeakPolarHBondContact O-CG 3.25Å
18E91.3Very high92.7Very high78 Ų7864.9 Ų64.936%0.36436%0.36SS..Hα-helixtrans-67.2-29176.8-68.1-171.7133.500113.3A14 A15 L16 K29 T33A14-E18 WeakPolarHBondContact O-CG 3.47Å; A14-E18 PolarHBondContact O-N 3.33Å; A15-E18 PolarHBondContact O-N 3.28Å; L16-E18 VanDerWaalsContact C-N 3.25Å; L16-E18 PolarHBondContact O-N 2.83Å; E18-K29 VanDerWaalsContact CD-CE 3.41Å; E18-K29 WeakPolarHBondContact OE1-CE 3.27Å; E18-K29 IonicContact OE1-NZ 3.39Å; E18-K29 PolarHBondContact OE1-NZ 3.07Å; E18-K29 WeakPolarHBondContact OE2-CE 3.05Å; E18-K29 IonicContact OE2-NZ 2.79Å; E18-T33 WeakPolarHBondContact OE2-CB 3.42Å; E18-T33 PolarHBondContact OE2-OG1 3.36Å
19C90.7Very high92.8Very high4 Ų466.5 Ų66.53%0.02736%0.361CS..THydrogen-bonded Turntrans-111.624.3-179.859.70000113.2A15 L16 Q17 D21 T24 F25 R76A15-C19 PolarHBondContact O-SG 2.86Å; L16-C19 CarbonylContact O-C 3.44Å; L16-C19 PolarHBondContact O-N 2.89Å; Q17-C19 VanDerWaalsContact C-N 3.29Å; Q17-C19 PolarHBondContact O-N 3.49Å; C19-D21 PolarHBondContact O-N 3.25Å; C19-T24 WeakPolarHBondContact CA-OG1 3.42Å; C19-F25 HydrophobicContact CB-CB 4.14Å; C19-F25 HydrophobicContact CB-CD2 3.89Å; C19-R76 VanDerWaalsContact O-CZ 3.24Å; C19-R76 PolarHBondContact O-NE 2.79Å; C19-R76 PolarHBondContact O-NH2 2.71Å
20Q90.8Very high93Very high121 Ų12164 Ų6457%0.56534%0.339SS*.  trans-64.3-27.8-178.269.5178.88.200113.5L16 Q17 R76L16-Q20 PolarHBondContact O-N 2.82Å; L16-Q20 VanDerWaalsContact O-N 3.1Å; Q17-Q20 WeakPolarHBondContact O-CG 3.25Å; Q20-R76 WeakPolarHBondContact O-CD 2.92Å
21D92.9Very high93Very high90 Ų9057.9 Ų57.948%0.48131%0.307SS..SBendtrans-90.8149.6-178.6-66.3-52.6000110.5C19 T24 R76C19-D21 PolarHBondContact O-N 3.25Å; D21-T24 HydrophobicContact CB-CG2 3.82Å; D21-T24 PolarHBondContact O-OG1 2.91Å; D21-R76 VanDerWaalsContact O-CZ 3.27Å; D21-R76 PolarHBondContact O-NE 3.27Å; D21-R76 PolarHBondContact O-NH2 2.95Å
22P91.9Very high92.9Very high86 Ų8659.4 Ų59.456%0.55831%0.311SS*.THydrogen-bonded Turntrans-62.2143.8175.2-20.932.8000112.2T24 T79P22-T24 PolarHBondContact O-N 3.45Å; P22-T79 HydrophobicContact CB-CG2 3.92Å
23D90.1Very high92.9Very high106 Ų10660.9 Ų60.957%0.56732%0.321SS*.THydrogen-bonded Turntrans61.624.6178.8-52.5-46.3000114.3T79 E82D23-T79 WeakPolarHBondContact OD1-CB 3.24Å; D23-T79 PolarHBondContact OD1-OG1 3.28Å; D23-E82 WeakPolarHBondContact CA-OE1 3.11Å; D23-E82 PolarHBondContact N-OE1 3.46Å
24T92.6Very high92.9Very high55 Ų5558.8 Ų58.834%0.33730%0.303SS..  trans-113.84.3173.869.30000113.6C19 D21 P22 E26 E82C19-T24 WeakPolarHBondContact CA-OG1 3.42Å; D21-T24 HydrophobicContact CB-CG2 3.82Å; D21-T24 PolarHBondContact O-OG1 2.91Å; P22-T24 PolarHBondContact O-N 3.45Å; T24-E26 PolarHBondContact O-N 2.85Å; T24-E82 PolarHBondContact N-OE1 3.27Å
25F94.3Very high92.7Very high17 Ų1757.5 Ų57.58%0.07529%0.294CS..  trans-71.1116.4177-179.5-109.4000111.6C19 P27 F30 F67 L68 L78 E82 L86C19-F25 HydrophobicContact CB-CB 4.14Å; C19-F25 HydrophobicContact CB-CD2 3.89Å; F25-P27 HydrophobicContact CD1-CG 4.26Å; F25-P27 HydrophobicContact CE1-CB 4.25Å; F25-P27 HydrophobicContact CE1-CG 3.76Å; F25-P27 HydrophobicContact CZ-CB 4.46Å; F25-P27 HydrophobicContact CZ-CG 4.43Å; F25-F30 HydrophobicContact CE2-CB 3.81Å; F25-F30 HydrophobicContact CE2-CD1 4.37Å; F25-F30 AromaticContact CE2-CD2 3.89Å; F25-F30 HydrophobicContact CE2-CD2 3.89Å; F25-F30 AromaticContact CE2-CG 3.76Å; F25-F30 HydrophobicContact CE2-CG 3.76Å; F25-F30 HydrophobicContact CZ-CB 4.41Å; F25-F30 HydrophobicContact CZ-CG 4.46Å; F25-F67 HydrophobicContact CE2-CD1 4.22Å; F25-F67 HydrophobicContact CE2-CE1 4.08Å; F25-F67 AromaticContact CZ-CD1 3.79Å; F25-F67 HydrophobicContact CZ-CD1 3.79Å; F25-F67 AromaticContact CZ-CE1 3.69Å; F25-F67 HydrophobicContact CZ-CE1 3.69Å; F25-L68 HydrophobicContact CD2-CD2 3.86Å; F25-L68 HydrophobicContact CE2-CD2 3.58Å; F25-L68 HydrophobicContact CZ-CD2 4.45Å; F25-L78 HydrophobicContact CB-CD2 3.77Å; F25-L78 HydrophobicContact CD1-CD1 3.87Å; F25-L78 HydrophobicContact CD1-CD2 3.65Å; F25-L78 HydrophobicContact CD1-CG 4.45Å; F25-L78 HydrophobicContact CD2-CD2 3.9Å; F25-L78 HydrophobicContact CE1-CD1 3.82Å; F25-L78 HydrophobicContact CE1-CD2 4.19Å; F25-L78 HydrophobicContact CE2-CD2 4.43Å; F25-L78 HydrophobicContact CG-CD2 3.48Å; F25-L78 VanDerWaalsContact CG-CD2 3.48Å; F25-L78 HydrophobicContact CZ-CD1 4.45Å; F25-E82 HydrophobicContact CB-CB 4.36Å; F25-E82 VanDerWaalsContact CB-CD 3.48Å; F25-E82 HydrophobicContact CB-CG 3.96Å; F25-E82 WeakPolarHBondContact CB-OE1 3.27Å; F25-E82 PolarHBondContact N-OE1 3.2Å; F25-L86 HydrophobicContact CE1-CD1 4.26Å; F25-L86 HydrophobicContact CE1-CD2 4.01Å
26E93Very high92.6Very high118 Ų11857.5 Ų57.555%0.55129%0.294SS*.  trans-113.4109173.8-71.5-179.8-171.500109.4T24 Q28 K29 F30T24-E26 PolarHBondContact O-N 2.85Å; E26-Q28 PolarHBondContact O-N 2.88Å; E26-K29 HydrophobicContact CB-CB 3.82Å; E26-K29 PolarHBondContact O-N 2.91Å; E26-F30 WeakPolarHBondContact O-CB 3.33Å; E26-F30 PolarHBondContact O-N 3.38Å
27P91Very high92.5Very high25 Ų2558.2 Ų58.216%0.16230%0.3CS..Hα-helixtrans-56.9-48.4-174.4-2430.8000113F25 K29 F30 F31 L86 M106F25-P27 HydrophobicContact CD1-CG 4.26Å; F25-P27 HydrophobicContact CE1-CB 4.25Å; F25-P27 HydrophobicContact CE1-CG 3.76Å; F25-P27 HydrophobicContact CZ-CB 4.46Å; F25-P27 HydrophobicContact CZ-CG 4.43Å; P27-K29 PolarHBondContact O-N 3.23Å; P27-F30 WeakPolarHBondContact O-CB 3.37Å; P27-F30 PolarHBondContact O-N 3.08Å; P27-F31 HydrophobicContact CB-CE2 3.89Å; P27-F31 WeakPolarHBondContact O-CD2 3.38Å; P27-F31 WeakPolarHBondContact O-CE2 3.48Å; P27-F31 VanDerWaalsContact O-CG 3.26Å; P27-F31 WeakPolarHBondContact O-CG 3.29Å; P27-F31 PolarHBondContact O-N 3.26Å; P27-L86 HydrophobicContact CB-CD1 3.77Å; P27-L86 HydrophobicContact CG-CD1 3.63Å; P27-M106 HydrophobicContact CB-SD 4.29Å
28Q91.4Very high92.4Very high112 Ų11260.2 Ų60.252%0.52331%0.307SS..Hα-helixtrans-60.3-45-179.3-69.2179.9-0.700112E26 F31 Q32E26-Q28 PolarHBondContact O-N 2.88Å; Q28-F31 PolarHBondContact O-N 3.49Å; Q28-Q32 VanDerWaalsContact O-CG 3.29Å; Q28-Q32 WeakPolarHBondContact O-CG 3.3Å; Q28-Q32 PolarHBondContact O-N 3.05Å; Q28-Q32 VanDerWaalsContact O-N 3.09Å
29K92.5Very high92.4Very high84 Ų8457.4 Ų57.437%0.36529%0.294SS..Hα-helixtrans-66.3-43.1179.2-163.8-178.1178.4-151.70110.8E18 E26 P27 F31 Q32 T33E18-K29 VanDerWaalsContact CD-CE 3.41Å; E18-K29 WeakPolarHBondContact OE1-CE 3.27Å; E18-K29 IonicContact OE1-NZ 3.39Å; E18-K29 PolarHBondContact OE1-NZ 3.07Å; E18-K29 WeakPolarHBondContact OE2-CE 3.05Å; E18-K29 IonicContact OE2-NZ 2.79Å; E26-K29 HydrophobicContact CB-CB 3.82Å; E26-K29 PolarHBondContact O-N 2.91Å; P27-K29 PolarHBondContact O-N 3.23Å; K29-F31 PolarHBondContact O-N 2.88Å; K29-Q32 PolarHBondContact O-N 3Å; K29-T33 PolarHBondContact O-N 3.09Å; K29-T33 PolarHBondContact O-OG1 3.45Å; K29-T33 VanDerWaalsContact O-OG1 3.11Å
30F94.7Very high92.5Very high4 Ų459.9 Ų59.92%0.01831%0.311CS..Hα-helixtrans-57.8-45.8175.4-176.6-88.7000112A15 L16 F25 E26 P27 Q32 T33 S34 F67 L68 F71A15-F30 HydrophobicContact CB-CD2 3.62Å; A15-F30 HydrophobicContact CB-CE2 3.64Å; A15-F30 HydrophobicContact CB-CG 4.26Å; A15-F30 HydrophobicContact CB-CZ 4.3Å; L16-F30 HydrophobicContact CD2-CE2 3.98Å; L16-F30 HydrophobicContact CG-CE2 4.33Å; F25-F30 HydrophobicContact CE2-CB 3.81Å; F25-F30 HydrophobicContact CE2-CD1 4.37Å; F25-F30 AromaticContact CE2-CD2 3.89Å; F25-F30 HydrophobicContact CE2-CD2 3.89Å; F25-F30 AromaticContact CE2-CG 3.76Å; F25-F30 HydrophobicContact CE2-CG 3.76Å; F25-F30 HydrophobicContact CZ-CB 4.41Å; F25-F30 HydrophobicContact CZ-CG 4.46Å; E26-F30 WeakPolarHBondContact O-CB 3.33Å; E26-F30 PolarHBondContact O-N 3.38Å; P27-F30 WeakPolarHBondContact O-CB 3.37Å; P27-F30 PolarHBondContact O-N 3.08Å; F30-Q32 VanDerWaalsContact C-N 3.31Å; F30-Q32 PolarHBondContact O-N 3.49Å; F30-T33 PolarHBondContact O-N 3.14Å; F30-S34 WeakPolarHBondContact O-CB 3.39Å; F30-S34 PolarHBondContact O-N 3.48Å; F30-S34 PolarHBondContact O-OG 3.49Å; F30-F67 AromaticContact CD1-CE1 3.79Å; F30-F67 HydrophobicContact CD1-CE1 3.79Å; F30-F67 HydrophobicContact CD1-CZ 4.12Å; F30-F67 AromaticContact CE1-CE1 3.56Å; F30-F67 HydrophobicContact CE1-CE1 3.56Å; F30-F67 AromaticContact CE1-CZ 3.85Å; F30-F67 HydrophobicContact CE1-CZ 3.85Å; F30-F67 HydrophobicContact CZ-CE1 4.14Å; F30-L68 HydrophobicContact CD2-CD2 4.13Å; F30-L68 HydrophobicContact CE2-CD2 3.7Å; F30-L68 HydrophobicContact CZ-CD2 4.12Å; F30-F71 HydrophobicContact CE1-CD1 4.34Å; F30-F71 HydrophobicContact CE1-CD2 4.07Å; F30-F71 HydrophobicContact CE1-CE1 4.11Å; F30-F71 AromaticContact CE1-CE2 3.84Å; F30-F71 HydrophobicContact CE1-CE2 3.84Å; F30-F71 HydrophobicContact CE1-CG 4.33Å; F30-F71 AromaticContact CE1-CZ 3.86Å; F30-F71 HydrophobicContact CE1-CZ 3.86Å; F30-F71 HydrophobicContact CZ-CB 4.49Å; F30-F71 HydrophobicContact CZ-CD1 4.18Å; F30-F71 AromaticContact CZ-CD2 3.78Å; F30-F71 HydrophobicContact CZ-CD2 3.78Å; F30-F71 HydrophobicContact CZ-CE1 4.4Å; F30-F71 HydrophobicContact CZ-CE2 4.05Å; F30-F71 AromaticContact CZ-CG 3.87Å; F30-F71 HydrophobicContact CZ-CG 3.87Å; F30-F71 HydrophobicContact CZ-CZ 4.35Å
31F93.8Very high92.6Very high1 Ų156.1 Ų56.10%0.00430%0.301CS..Hα-helixtrans-65.5-33.7178-61.3-45.2000113.1P27 Q28 K29 S34 G35 L36 S37 F67 F103 M106 V107P27-F31 HydrophobicContact CB-CE2 3.89Å; P27-F31 WeakPolarHBondContact O-CD2 3.38Å; P27-F31 WeakPolarHBondContact O-CE2 3.48Å; P27-F31 VanDerWaalsContact O-CG 3.26Å; P27-F31 WeakPolarHBondContact O-CG 3.29Å; P27-F31 PolarHBondContact O-N 3.26Å; Q28-F31 PolarHBondContact O-N 3.49Å; K29-F31 PolarHBondContact O-N 2.88Å; F31-S34 PolarHBondContact O-OG 2.88Å; F31-G35 PolarHBondContact O-N 3.11Å; F31-L36 HydrophobicContact CB-CB 4.22Å; F31-L36 HydrophobicContact CD1-CB 4.07Å; F31-L36 HydrophobicContact CD1-CD1 3.55Å; F31-L36 HydrophobicContact CD1-CG 4.45Å; F31-L36 HydrophobicContact CE1-CD1 3.96Å; F31-L36 PolarHBondContact O-N 3.19Å; F31-S37 PolarHBondContact O-N 3.3Å; F31-F67 HydrophobicContact CE1-CE2 4.37Å; F31-F67 AromaticContact CE1-CZ 3.67Å; F31-F67 HydrophobicContact CE1-CZ 3.67Å; F31-F67 HydrophobicContact CZ-CZ 4.13Å; F31-F103 HydrophobicContact CE1-CE2 4.33Å; F31-F103 HydrophobicContact CE1-CZ 4.25Å; F31-F103 HydrophobicContact CZ-CE2 4.21Å; F31-M106 HydrophobicContact CD2-CG 4.47Å; F31-M106 HydrophobicContact CE2-CE 3.7Å; F31-M106 HydrophobicContact CE2-CG 3.71Å; F31-M106 HydrophobicContact CE2-SD 3.71Å; F31-M106 HydrophobicContact CZ-CE 3.54Å; F31-M106 HydrophobicContact CZ-SD 4.1Å; F31-V107 HydrophobicContact CD1-CG2 3.87Å; F31-V107 HydrophobicContact CD2-CG2 4.16Å; F31-V107 HydrophobicContact CE1-CG2 3.82Å; F31-V107 HydrophobicContact CE2-CG2 4.19Å; F31-V107 HydrophobicContact CG-CG2 4.04Å; F31-V107 HydrophobicContact CZ-CG2 4.02Å
32Q93.4Very high92.5Very high104 Ų10455.5 Ų55.549%0.48630%0.303SS..Hα-helixtrans-71.1-46.7175.4-70.6173.526.500112.3Q28 K29 F30 G35Q28-Q32 VanDerWaalsContact O-CG 3.29Å; Q28-Q32 WeakPolarHBondContact O-CG 3.3Å; Q28-Q32 PolarHBondContact O-N 3.05Å; Q28-Q32 VanDerWaalsContact O-N 3.09Å; K29-Q32 PolarHBondContact O-N 3Å; F30-Q32 VanDerWaalsContact C-N 3.31Å; F30-Q32 PolarHBondContact O-N 3.49Å; Q32-G35 PolarHBondContact O-N 3.25Å
33T94.1Very high92.5Very high37 Ų3755 Ų5523%0.22729%0.294CS..Hα-helixtrans-70-42.7-178.3-56.60000111.4D11 A14 A15 E18 K29 F30 G35D11-T33 WeakPolarHBondContact CB-O 3.14Å; A14-T33 HydrophobicContact CB-CG2 3.7Å; A15-T33 HydrophobicContact CB-CG2 3.9Å; E18-T33 WeakPolarHBondContact OE2-CB 3.42Å; E18-T33 PolarHBondContact OE2-OG1 3.36Å; K29-T33 PolarHBondContact O-N 3.09Å; K29-T33 PolarHBondContact O-OG1 3.45Å; K29-T33 VanDerWaalsContact O-OG1 3.11Å; F30-T33 PolarHBondContact O-N 3.14Å; T33-G35 PolarHBondContact O-N 3.11Å
34S93Very high92.7Very high0 Ų050 Ų500%027%0.267CS..Hα-helixtrans-68.5-16.8177.860.50000113.5L7 D11 F30 F31L7-S34 WeakPolarHBondContact CD2-O 3.32Å; D11-S34 WeakPolarHBondContact CB-O 3.27Å; F30-S34 WeakPolarHBondContact O-CB 3.39Å; F30-S34 PolarHBondContact O-N 3.48Å; F30-S34 PolarHBondContact O-OG 3.49Å; F31-S34 PolarHBondContact O-OG 2.88Å
35G92.6Very high92.7Very high13 Ų1352 Ų5213%0.13427%0.271CS..SBendtrans87.7-0.7-177.100000114.6F31 Q32 T33 S37 K38F31-G35 PolarHBondContact O-N 3.11Å; Q32-G35 PolarHBondContact O-N 3.25Å; T33-G35 PolarHBondContact O-N 3.11Å; G35-S37 VanDerWaalsContact C-N 3.27Å; G35-S37 PolarHBondContact O-N 2.82Å; G35-K38 PolarHBondContact O-N 3.01Å; G35-K38 VanDerWaalsContact O-N 3.15Å
36L92.6Very high92.6Very high0 Ų054.6 Ų54.60%029%0.286CS..G310 helixtrans-56.2-38.9175.9-82170.1000112.8L7 F31 K38 M39 V47 F71 V107L7-L36 HydrophobicContact CD1-CD1 4.35Å; L7-L36 HydrophobicContact CD1-CD2 4.02Å; L7-L36 HydrophobicContact CD1-CG 3.89Å; L7-L36 HydrophobicContact CD2-CD2 4.09Å; L7-L36 HydrophobicContact CD2-CG 4.05Å; L7-L36 HydrophobicContact CG-CD2 4.5Å; F31-L36 HydrophobicContact CB-CB 4.22Å; F31-L36 HydrophobicContact CD1-CB 4.07Å; F31-L36 HydrophobicContact CD1-CD1 3.55Å; F31-L36 HydrophobicContact CD1-CG 4.45Å; F31-L36 HydrophobicContact CE1-CD1 3.96Å; F31-L36 PolarHBondContact O-N 3.19Å; L36-K38 PolarHBondContact O-N 2.85Å; L36-K38 VanDerWaalsContact O-N 3.09Å; L36-M39 HydrophobicContact CD2-SD 3.75Å; L36-M39 VanDerWaalsContact O-CB 3.3Å; L36-M39 WeakPolarHBondContact O-CB 3.38Å; L36-M39 PolarHBondContact O-N 2.9Å; L36-V47 HydrophobicContact CD1-CG1 4.39Å; L36-V47 HydrophobicContact CD2-CB 4.05Å; L36-V47 HydrophobicContact CD2-CG1 3.83Å; L36-V47 HydrophobicContact CD2-CG2 3.59Å; L36-F71 HydrophobicContact CD1-CE1 3.74Å; L36-F71 HydrophobicContact CD1-CZ 3.75Å; L36-V107 HydrophobicContact CB-CG1 3.92Å; L36-V107 WeakPolarHBondContact O-CG1 3.31Å
37S92.8Very high92.6Very high32 Ų3249 Ų4922%0.22426%0.259CS..G310 helixtrans-64.3-17.9-178.868.70000114.2F31 G35 V107 H108F31-S37 PolarHBondContact O-N 3.3Å; G35-S37 VanDerWaalsContact C-N 3.27Å; G35-S37 PolarHBondContact O-N 2.82Å; S37-V107 WeakPolarHBondContact CA-O 3.39Å; S37-V107 WeakPolarHBondContact CB-O 3.45Å; S37-H108 PolarHBondContact O-ND1 3.34Å
38K91.2Very high92.7Very high177 Ų17748 Ų4877%0.7725%0.253SS*.G310 helixtrans-96.2-2.6178.9-60.9173.7-172.6160.10113G35 L36G35-K38 PolarHBondContact O-N 3.01Å; G35-K38 VanDerWaalsContact O-N 3.15Å; L36-K38 PolarHBondContact O-N 2.85Å; L36-K38 VanDerWaalsContact O-N 3.09Å
39M90.9Very high92.8Very high20 Ų2049.8 Ų49.810%0.09926%0.255CS..SBendtrans-76.2163.2-179.1-73-167.7144.900112.2V6 L7 L36 Q43 V44 V47 H108V6-M39 HydrophobicContact CB-CE 3.84Å; V6-M39 HydrophobicContact CG2-CE 4.4Å; V6-M39 WeakPolarHBondContact O-CE 3.24Å; L7-M39 HydrophobicContact CD2-CE 3.32Å; L7-M39 HydrophobicContact CD2-SD 3.75Å; L7-M39 HydrophobicContact CG-CE 3.9Å; L36-M39 HydrophobicContact CD2-SD 3.75Å; L36-M39 VanDerWaalsContact O-CB 3.3Å; L36-M39 WeakPolarHBondContact O-CB 3.38Å; L36-M39 PolarHBondContact O-N 2.9Å; M39-Q43 HydrophobicContact CB-CB 3.92Å; M39-Q43 HydrophobicContact CE-CB 4.38Å; M39-Q43 HydrophobicContact CG-CB 4.24Å; M39-Q43 HydrophobicContact SD-CB 3.86Å; M39-V44 HydrophobicContact CB-CG2 3.84Å; M39-V47 HydrophobicContact SD-CG2 4.33Å; M39-H108 PolarHBondContact O-CE1 2.79Å
40S92.9Very high92.7Very high56 Ų5649.1 Ų49.139%0.39225%0.252SS..  trans-77.7156.6167.463.40000111S42 Q43 V44S40-S42 PolarHBondContact O-N 3Å; S40-S42 VanDerWaalsContact O-N 3.08Å; S40-Q43 WeakPolarHBondContact O-CB 3.44Å; S40-Q43 PolarHBondContact O-N 3.22Å; S40-Q43 WeakPolarHBondContact OG-CG 2.98Å; S40-Q43 PolarHBondContact OG-N 3.28Å; S40-Q43 PolarHBondContact OG-OE1 3.34Å; S40-V44 PolarHBondContact O-N 3.12Å
41A92.1Very high92.6Very high41 Ų4149 Ų4934%0.33925%0.251SS..Hα-helixtrans-46.1-40.4172.300000113.5V44 K45A41-V44 PolarHBondContact O-N 3.27Å; A41-K45 WeakPolarHBondContact O-CB 3.29Å; A41-K45 PolarHBondContact O-N 2.95Å
42S91.8Very high92.6Very high77 Ų7749.3 Ų49.354%0.53825%0.253SS..Hα-helixtrans-65.4-41.2178.2-170.30000112.4S40 K45 D46S40-S42 PolarHBondContact O-N 3Å; S40-S42 VanDerWaalsContact O-N 3.08Å; S42-K45 WeakPolarHBondContact O-CB 3.41Å; S42-K45 PolarHBondContact O-N 3.38Å; S42-D46 PolarHBondContact O-N 3.13Å; S42-D46 VanDerWaalsContact O-N 3.1Å
43Q91.7Very high92.5Very high76 Ų7650 Ų5036%0.35526%0.26SS..Hα-helixtrans-71.3-39.9178.8-71.3168-66.500111.2M39 S40 K45 D46 V47M39-Q43 HydrophobicContact CB-CB 3.92Å; M39-Q43 HydrophobicContact CE-CB 4.38Å; M39-Q43 HydrophobicContact CG-CB 4.24Å; M39-Q43 HydrophobicContact SD-CB 3.86Å; S40-Q43 WeakPolarHBondContact O-CB 3.44Å; S40-Q43 PolarHBondContact O-N 3.22Å; S40-Q43 WeakPolarHBondContact OG-CG 2.98Å; S40-Q43 PolarHBondContact OG-N 3.28Å; S40-Q43 PolarHBondContact OG-OE1 3.34Å; Q43-K45 PolarHBondContact O-N 3.38Å; Q43-D46 WeakPolarHBondContact O-CB 3.48Å; Q43-D46 PolarHBondContact O-N 3.13Å; Q43-D46 VanDerWaalsContact O-N 3.09Å; Q43-V47 WeakPolarHBondContact O-CG2 3.01Å; Q43-V47 PolarHBondContact O-N 2.9Å
44V94Very high92.5Very high0 Ų053 Ų530%027%0.274CS..Hα-helixtrans-60.6-38.5173.6177.50000110.6M39 S40 A41 D46 V47 F48 F103 Q104 V107M39-V44 HydrophobicContact CB-CG2 3.84Å; S40-V44 PolarHBondContact O-N 3.12Å; A41-V44 PolarHBondContact O-N 3.27Å; V44-D46 VanDerWaalsContact C-N 3.34Å; V44-D46 PolarHBondContact O-N 3.5Å; V44-V47 WeakPolarHBondContact O-CB 3.49Å; V44-V47 PolarHBondContact O-N 3.28Å; V44-F48 PolarHBondContact O-N 2.87Å; V44-F103 HydrophobicContact CG1-CD1 3.74Å; V44-F103 HydrophobicContact CG1-CE1 3.81Å; V44-Q104 HydrophobicContact CG1-CB 4.23Å; V44-Q104 HydrophobicContact CG1-CG 4.39Å; V44-V107 HydrophobicContact CG1-CB 4.06Å; V44-V107 HydrophobicContact CG1-CG1 4.12Å; V44-V107 HydrophobicContact CG1-CG2 4Å; V44-V107 HydrophobicContact CG2-CG1 3.8Å
45K92.8Very high92.4Very high97 Ų9760.8 Ų60.842%0.42231%0.311SS..Hα-helixtrans-65.2-33.8173.7-172.5171.9-172.8162.70113.5A41 S42 Q43 V47 F48 R49A41-K45 WeakPolarHBondContact O-CB 3.29Å; A41-K45 PolarHBondContact O-N 2.95Å; S42-K45 WeakPolarHBondContact O-CB 3.41Å; S42-K45 PolarHBondContact O-N 3.38Å; Q43-K45 PolarHBondContact O-N 3.38Å; K45-V47 VanDerWaalsContact C-N 3.35Å; K45-F48 WeakPolarHBondContact O-CB 3.35Å; K45-R49 VanDerWaalsContact O-CG 3.32Å; K45-R49 WeakPolarHBondContact O-CG 3.43Å; K45-R49 PolarHBondContact O-N 3.3Å
46D91.9Very high92.5Very high73 Ų7362.9 Ų62.939%0.3932%0.324SS..Hα-helixtrans-68.7-37.4174.1-67.3-29.4000111.2S42 Q43 V44 R49 F50S42-D46 PolarHBondContact O-N 3.13Å; S42-D46 VanDerWaalsContact O-N 3.1Å; Q43-D46 WeakPolarHBondContact O-CB 3.48Å; Q43-D46 PolarHBondContact O-N 3.13Å; Q43-D46 VanDerWaalsContact O-N 3.09Å; V44-D46 VanDerWaalsContact C-N 3.34Å; V44-D46 PolarHBondContact O-N 3.5Å; D46-R49 PolarHBondContact O-N 3.14Å; D46-F50 PolarHBondContact O-N 3.31Å; D46-F50 VanDerWaalsContact O-N 3.09Å
47V92.5Very high92.7Very high0 Ų064.5 Ų64.50%034%0.34CS..Hα-helixtrans-65.7-45.1173.2173.80000110.8I3 V6 L36 M39 Q43 V44 K45 R49 F50 I51 F71 F103I3-V47 HydrophobicContact CD1-CB 4.37Å; I3-V47 HydrophobicContact CD1-CG1 4.04Å; I3-V47 HydrophobicContact CD1-CG2 3.98Å; V6-V47 HydrophobicContact CG2-CG2 4.1Å; L36-V47 HydrophobicContact CD1-CG1 4.39Å; L36-V47 HydrophobicContact CD2-CB 4.05Å; L36-V47 HydrophobicContact CD2-CG1 3.83Å; L36-V47 HydrophobicContact CD2-CG2 3.59Å; M39-V47 HydrophobicContact SD-CG2 4.33Å; Q43-V47 WeakPolarHBondContact O-CG2 3.01Å; Q43-V47 PolarHBondContact O-N 2.9Å; V44-V47 WeakPolarHBondContact O-CB 3.49Å; V44-V47 PolarHBondContact O-N 3.28Å; K45-V47 VanDerWaalsContact C-N 3.35Å; V47-R49 VanDerWaalsContact C-N 3.32Å; V47-R49 PolarHBondContact O-N 3.01Å; V47-F50 WeakPolarHBondContact O-CA 3.42Å; V47-F50 VanDerWaalsContact O-CB 3.31Å; V47-F50 WeakPolarHBondContact O-CB 3.45Å; V47-F50 PolarHBondContact O-N 3.46Å; V47-I51 HydrophobicContact CG1-CD1 3.84Å; V47-I51 WeakPolarHBondContact O-CG1 3.43Å; V47-I51 PolarHBondContact O-N 3.03Å; V47-F71 HydrophobicContact CG1-CE1 4.49Å; V47-F71 HydrophobicContact CG1-CZ 4.23Å; V47-F103 HydrophobicContact CG1-CE1 4.31Å; V47-F103 HydrophobicContact CG1-CZ 4.36Å
48F94.4Very high92.9Very high5 Ų567.3 Ų67.32%0.02235%0.347CS..Hα-helixtrans-52.9-50.4174.3175.2-89.6000111.4V44 K45 F50 I51 D52 G57 L59 I98 A100 F103V44-F48 PolarHBondContact O-N 2.87Å; K45-F48 WeakPolarHBondContact O-CB 3.35Å; F48-F50 PolarHBondContact O-N 3.01Å; F48-I51 PolarHBondContact O-N 3.34Å; F48-D52 HydrophobicContact CE1-CB 4.29Å; F48-D52 WeakPolarHBondContact O-CB 3.3Å; F48-D52 PolarHBondContact O-N 2.85Å; F48-G57 VanDerWaalsContact CZ-O 3.31Å; F48-G57 WeakPolarHBondContact CZ-O 3.31Å; F48-L59 HydrophobicContact CD2-CD1 3.92Å; F48-L59 HydrophobicContact CD2-CG 4.04Å; F48-L59 HydrophobicContact CE2-CD1 3.93Å; F48-L59 HydrophobicContact CE2-CD2 4.31Å; F48-L59 HydrophobicContact CE2-CG 3.59Å; F48-L59 HydrophobicContact CZ-CG 4.19Å; F48-I98 WeakPolarHBondContact CE2-O 3.41Å; F48-A100 HydrophobicContact CD1-CB 3.93Å; F48-A100 HydrophobicContact CD2-CB 4.39Å; F48-A100 HydrophobicContact CE1-CB 3.92Å; F48-A100 HydrophobicContact CE2-CB 4.34Å; F48-A100 HydrophobicContact CG-CB 4.17Å; F48-A100 HydrophobicContact CZ-CB 4.12Å; F48-F103 HydrophobicContact CB-CD1 3.88Å; F48-F103 HydrophobicContact CB-CE1 4.25Å; F48-F103 HydrophobicContact CD2-CB 3.61Å; F48-F103 AromaticContact CD2-CD1 3.98Å; F48-F103 HydrophobicContact CD2-CD1 3.98Å; F48-F103 HydrophobicContact CD2-CD2 4.46Å; F48-F103 AromaticContact CD2-CG 3.77Å; F48-F103 HydrophobicContact CD2-CG 3.77Å; F48-F103 HydrophobicContact CE2-CB 4.09Å; F48-F103 HydrophobicContact CG-CD1 4.44Å
49R92.7Very high93.1Very high149 Ų14958.9 Ų58.956%0.56231%0.31SS*.Hα-helixtrans-64.1-23.4177.4-73.5170.4170.5179.8-5.2114.1K45 D46 V47K45-R49 VanDerWaalsContact O-CG 3.32Å; K45-R49 WeakPolarHBondContact O-CG 3.43Å; K45-R49 PolarHBondContact O-N 3.3Å; D46-R49 PolarHBondContact O-N 3.14Å; V47-R49 VanDerWaalsContact C-N 3.32Å; V47-R49 PolarHBondContact O-N 3.01Å
50F90.7Very high93.3Very high70 Ų7060.6 Ų60.631%0.30732%0.32SS..Hα-helixtrans-77.9-33175.5-175.9-86.4000111.2M1 I3 D46 V47 F48 K70M1-F50 WeakPolarHBondContact O-CE2 3.39Å; I3-F50 HydrophobicContact CB-CE1 4.41Å; I3-F50 HydrophobicContact CD1-CD1 4.02Å; I3-F50 HydrophobicContact CD1-CG 4.27Å; D46-F50 PolarHBondContact O-N 3.31Å; D46-F50 VanDerWaalsContact O-N 3.09Å; V47-F50 WeakPolarHBondContact O-CA 3.42Å; V47-F50 VanDerWaalsContact O-CB 3.31Å; V47-F50 WeakPolarHBondContact O-CB 3.45Å; V47-F50 PolarHBondContact O-N 3.46Å; F48-F50 PolarHBondContact O-N 3.01Å; F50-K70 HydrophobicContact CD1-CB 4.13Å; F50-K70 HydrophobicContact CE1-CB 3.96Å; F50-K70 HydrophobicContact CE1-CD 4.33Å; F50-K70 WeakPolarHBondContact CE1-O 3.19Å; F50-K70 PolarHBondContact O-NZ 3.19Å
51I92.4Very high93.4Very high0 Ų062.5 Ų62.50%032%0.322CS..Hα-helixtrans-76.5-47.2176.8-59.3158.9000110.2V47 F48 N53 L59 F67 K70 F71 F103V47-I51 HydrophobicContact CG1-CD1 3.84Å; V47-I51 WeakPolarHBondContact O-CG1 3.43Å; V47-I51 PolarHBondContact O-N 3.03Å; F48-I51 PolarHBondContact O-N 3.34Å; I51-N53 PolarHBondContact O-N 3.24Å; I51-L59 HydrophobicContact CB-CD1 4.35Å; I51-L59 HydrophobicContact CB-CD2 3.97Å; I51-L59 HydrophobicContact CG2-CD1 3.91Å; I51-L59 HydrophobicContact CG2-CD2 3.63Å; I51-L59 HydrophobicContact CG2-CG 4.4Å; I51-F67 HydrophobicContact CD1-CD2 3.89Å; I51-F67 HydrophobicContact CD1-CE2 3.53Å; I51-F67 HydrophobicContact CG1-CD2 4.46Å; I51-F67 HydrophobicContact CG1-CE2 4.49Å; I51-F67 HydrophobicContact CG2-CD2 4.24Å; I51-K70 HydrophobicContact CB-CG 4.33Å; I51-K70 HydrophobicContact CG1-CB 4.15Å; I51-K70 HydrophobicContact CG1-CG 4.14Å; I51-K70 HydrophobicContact CG2-CG 4.17Å; I51-K70 WeakPolarHBondContact O-CE 3.27Å; I51-K70 PolarHBondContact O-NZ 2.96Å; I51-F71 HydrophobicContact CD1-CZ 4.45Å; I51-F103 HydrophobicContact CD1-CE1 4.45Å; I51-F103 HydrophobicContact CD1-CE2 4.06Å; I51-F103 HydrophobicContact CD1-CZ 3.68Å
52D95.1Very high93.5Very high9 Ų967.5 Ų67.55%0.04834%0.339CS..  trans-60.492.2174.8177.55.1000109.9F48 D54 Q55 S56 G57 L59F48-D52 HydrophobicContact CE1-CB 4.29Å; F48-D52 WeakPolarHBondContact O-CB 3.3Å; F48-D52 PolarHBondContact O-N 2.85Å; D52-D54 VanDerWaalsContact OD1-OD1 3.09Å; D52-Q55 WeakPolarHBondContact OD1-CA 3.36Å; D52-Q55 PolarHBondContact OD1-N 3.03Å; D52-Q55 WeakPolarHBondContact OD2-CA 3.49Å; D52-S56 PolarHBondContact OD1-N 3.47Å; D52-S56 VanDerWaalsContact OD1-N 3.07Å; D52-G57 VanDerWaalsContact OD2-CA 3.24Å; D52-G57 WeakPolarHBondContact OD2-CA 3.14Å; D52-G57 PolarHBondContact OD2-N 3.38Å; D52-L59 HydrophobicContact CB-CD2 3.72Å; D52-L59 VanDerWaalsContact N-CD2 3.34Å
53N90.7Very high93.7Very high118 Ų11864.6 Ų64.663%0.63132%0.317SS*.SBendtrans-77.1-40-169.9-17171.3000111.3I51 Q55 E63 K70I51-N53 PolarHBondContact O-N 3.24Å; N53-Q55 VanDerWaalsContact C-N 3.3Å; N53-E63 WeakPolarHBondContact CB-OE1 3.25Å; N53-E63 PolarHBondContact N-OE1 2.79Å; N53-K70 PolarHBondContact OD1-NZ 3.11Å
54D93.5Very high93.9Very high99 Ų9961 Ų6153%0.52930%0.3SS..SBendtrans-84.9-8-179.181.8-13.5000112.8D52 S56 E63D52-D54 VanDerWaalsContact OD1-OD1 3.09Å; D54-S56 PolarHBondContact O-N 3.09Å; D54-S56 WeakPolarHBondContact OD1-CB 3.35Å; D54-S56 PolarHBondContact OD1-N 3.1Å; D54-S56 PolarHBondContact OD1-OG 3.4Å; D54-E63 PolarHBondContact N-OE1 3.32Å
55Q92Very high94Very high164 Ų16464.8 Ų64.877%0.76632%0.316SS*.  trans61.133-178.9-60.4169.151.300112.1D52 N53 G57D52-Q55 WeakPolarHBondContact OD1-CA 3.36Å; D52-Q55 PolarHBondContact OD1-N 3.03Å; D52-Q55 WeakPolarHBondContact OD2-CA 3.49Å; N53-Q55 VanDerWaalsContact C-N 3.3Å; Q55-G57 PolarHBondContact O-N 3.08Å
56S95Very high94.1Very high58 Ų5864 Ų6441%0.40631%0.313SS..SBendtrans-67.2-19.9174.865.50000112.2D52 D54 Y58D52-S56 PolarHBondContact OD1-N 3.47Å; D52-S56 VanDerWaalsContact OD1-N 3.07Å; D54-S56 PolarHBondContact O-N 3.09Å; D54-S56 WeakPolarHBondContact OD1-CB 3.35Å; D54-S56 PolarHBondContact OD1-N 3.1Å; D54-S56 PolarHBondContact OD1-OG 3.4Å; S56-Y58 WeakPolarHBondContact O-CD2 3.45Å; S56-Y58 PolarHBondContact OG-N 2.96Å; S56-Y58 PolarHBondContact OG-O 3.5Å; S56-Y58 VanDerWaalsContact OG-O 3.06Å
57G95.1Very high94.2Very high34 Ų3460.5 Ų60.535%0.35129%0.294SS..SBendtrans878.6-172.400000113.5F48 D52 Q55F48-G57 VanDerWaalsContact CZ-O 3.31Å; F48-G57 WeakPolarHBondContact CZ-O 3.31Å; D52-G57 VanDerWaalsContact OD2-CA 3.24Å; D52-G57 WeakPolarHBondContact OD2-CA 3.14Å; D52-G57 PolarHBondContact OD2-N 3.38Å; Q55-G57 PolarHBondContact O-N 3.08Å
58Y96.8Very high94.3Very high91 Ų9160.6 Ų60.636%0.35730%0.295SS..EExtended strand (participates in β ladder)trans-139.5156.7-179.4-60.1-87.9000109.6S56 K97 I98S56-Y58 WeakPolarHBondContact O-CD2 3.45Å; S56-Y58 PolarHBondContact OG-N 2.96Å; S56-Y58 PolarHBondContact OG-O 3.5Å; S56-Y58 VanDerWaalsContact OG-O 3.06Å; Y58-K97 HydrophobicContact CD1-CD 3.62Å; Y58-K97 VanDerWaalsContact CD1-CE 3.45Å; Y58-K97 HydrophobicContact CD1-CG 3.84Å; Y58-K97 HydrophobicContact CD2-CD 4.05Å; Y58-K97 HydrophobicContact CE1-CD 4.29Å; Y58-K97 VanDerWaalsContact CE2-NZ 3.26Å; Y58-K97 HydrophobicContact CG-CD 3.49Å; Y58-K97 VanDerWaalsContact CG-CD 3.49Å; Y58-K97 HydrophobicContact CG-CG 4.07Å; Y58-K97 VanDerWaalsContact CZ-NZ 3.33Å; Y58-I98 CarbonylContact C-O 3.54Å; Y58-I98 WeakPolarHBondContact CA-O 3.48Å
59L96.4Very high94.3Very high0 Ų063.4 Ų63.40%031%0.308CS..EExtended strand (participates in β ladder)trans-106.1118.1169.9-57177.9000109.7F48 I51 D52 E63 L64 K97 I98 F103F48-L59 HydrophobicContact CD2-CD1 3.92Å; F48-L59 HydrophobicContact CD2-CG 4.04Å; F48-L59 HydrophobicContact CE2-CD1 3.93Å; F48-L59 HydrophobicContact CE2-CD2 4.31Å; F48-L59 HydrophobicContact CE2-CG 3.59Å; F48-L59 HydrophobicContact CZ-CG 4.19Å; I51-L59 HydrophobicContact CB-CD1 4.35Å; I51-L59 HydrophobicContact CB-CD2 3.97Å; I51-L59 HydrophobicContact CG2-CD1 3.91Å; I51-L59 HydrophobicContact CG2-CD2 3.63Å; I51-L59 HydrophobicContact CG2-CG 4.4Å; D52-L59 HydrophobicContact CB-CD2 3.72Å; D52-L59 VanDerWaalsContact N-CD2 3.34Å; L59-E63 WeakPolarHBondContact CA-OE2 3.47Å; L59-L64 HydrophobicContact CB-CD2 3.97Å; L59-L64 HydrophobicContact CB-CG 4.35Å; L59-L64 HydrophobicContact CD1-CD2 4.06Å; L59-K97 CarbonylContact O-C 3.43Å; L59-K97 VanDerWaalsContact O-CA 3.3Å; L59-K97 WeakPolarHBondContact O-CA 3.21Å; L59-K97 WeakPolarHBondContact O-CB 3.4Å; L59-I98 HydrophobicContact CB-CB 4.26Å; L59-I98 PolarHBondContact N-O 3.41Å; L59-I98 PolarHBondContact O-N 2.89Å; L59-F103 HydrophobicContact CD1-CD2 3.95Å; L59-F103 HydrophobicContact CD1-CE2 4.26Å
60D95.3Very high94.2Very high56 Ų5658.1 Ų58.130%0.29929%0.289SS..  trans-90.3174.1174.971.129.8000112.7E62 E63 L64D60-E62 PolarHBondContact O-N 3.12Å; D60-E62 WeakPolarHBondContact OD1-CA 3.35Å; D60-E62 WeakPolarHBondContact OD1-CB 3.48Å; D60-E62 PolarHBondContact OD1-N 3.05Å; D60-E63 PolarHBondContact N-OE2 3.09Å; D60-E63 PolarHBondContact O-N 3.22Å; D60-E63 PolarHBondContact OD1-N 2.68Å; D60-L64 VanDerWaalsContact O-CG 3.29Å; D60-L64 WeakPolarHBondContact O-CG 3.46Å; D60-L64 PolarHBondContact O-N 3.44Å
61E95Very high94.3Very high95 Ų9555.3 Ų55.344%0.44428%0.277SS..Hα-helixtrans-58.6-34.1179-69.6-170.2-177.500113.1K65 T83 M87E61-K65 WeakPolarHBondContact O-CB 3.33Å; E61-K65 PolarHBondContact O-N 3.48Å; E61-T83 HydrophobicContact CB-CG2 4.13Å; E61-T83 VanDerWaalsContact O-CG2 3.24Å; E61-T83 WeakPolarHBondContact O-CG2 3.48Å; E61-M87 HydrophobicContact CB-CE 4.43Å; E61-M87 HydrophobicContact CG-CE 3.71Å
62E94Very high94.3Very high147 Ų14759.9 Ų59.969%0.68730%0.298SS*.Hα-helixtrans-68.9-42.4179.5-63.3-165.3162.300110.4D60 K65 F66D60-E62 PolarHBondContact O-N 3.12Å; D60-E62 WeakPolarHBondContact OD1-CA 3.35Å; D60-E62 WeakPolarHBondContact OD1-CB 3.48Å; D60-E62 PolarHBondContact OD1-N 3.05Å; E62-K65 WeakPolarHBondContact O-CB 3.27Å; E62-K65 PolarHBondContact O-N 2.86Å; E62-F66 WeakPolarHBondContact O-CD2 2.96Å; E62-F66 PolarHBondContact O-N 2.68Å
63E95.5Very high94.1Very high16 Ų1664.8 Ų64.88%0.07533%0.333CS..Hα-helixtrans-67.7-41.1176.6-66.9-176.513000112.3N53 D54 L59 D60 K65 F66 F67N53-E63 WeakPolarHBondContact CB-OE1 3.25Å; N53-E63 PolarHBondContact N-OE1 2.79Å; D54-E63 PolarHBondContact N-OE1 3.32Å; L59-E63 WeakPolarHBondContact CA-OE2 3.47Å; D60-E63 PolarHBondContact N-OE2 3.09Å; D60-E63 PolarHBondContact O-N 3.22Å; D60-E63 PolarHBondContact OD1-N 2.68Å; E63-K65 VanDerWaalsContact C-N 3.26Å; E63-K65 PolarHBondContact O-N 3.35Å; E63-F66 CarbonylContact O-C 3.5Å; E63-F66 PolarHBondContact O-N 2.97Å; E63-F66 VanDerWaalsContact O-N 3.12Å; E63-F67 PolarHBondContact O-N 3.28Å
64L95.5Very high94.1Very high1 Ų162.2 Ų62.21%0.00534%0.335CS..Hα-helixtrans-62.5-34.5174.4-69.3-176000112.1L59 D60 F66 F67 L78 T83 L86 M87 I98L59-L64 HydrophobicContact CB-CD2 3.97Å; L59-L64 HydrophobicContact CB-CG 4.35Å; L59-L64 HydrophobicContact CD1-CD2 4.06Å; D60-L64 VanDerWaalsContact O-CG 3.29Å; D60-L64 WeakPolarHBondContact O-CG 3.46Å; D60-L64 PolarHBondContact O-N 3.44Å; L64-F66 PolarHBondContact O-N 3.44Å; L64-F67 WeakPolarHBondContact O-CB 3.22Å; L64-F67 PolarHBondContact O-N 3.08Å; L64-L78 WeakPolarHBondContact O-CD1 3.45Å; L64-T83 HydrophobicContact CB-CG2 4.02Å; L64-L86 HydrophobicContact CB-CD2 4.2Å; L64-L86 HydrophobicContact CD1-CD2 4.28Å; L64-L86 HydrophobicContact CD1-CG 4.21Å; L64-L86 HydrophobicContact CD2-CD2 3.78Å; L64-L86 HydrophobicContact CD2-CG 4.35Å; L64-L86 HydrophobicContact CG-CD2 4.3Å; L64-M87 HydrophobicContact CD1-CB 4.08Å; L64-M87 HydrophobicContact CD1-CE 3.55Å; L64-M87 HydrophobicContact CD1-SD 4.05Å; L64-M87 HydrophobicContact CG-CE 4.48Å; L64-I98 HydrophobicContact CD1-CD1 3.55Å; L64-I98 HydrophobicContact CD1-CG1 4.42Å; L64-I98 HydrophobicContact CD2-CD1 3.99Å; L64-I98 HydrophobicContact CG-CD1 4.32Å
65K96Very high94.1Very high79 Ų7958.2 Ų58.234%0.34332%0.315SS..Hα-helixtrans-58.6-35.7174.8-171.6-177.4177.2-142.80112.5E61 E62 E63 F67 E77 L78 T83E61-K65 WeakPolarHBondContact O-CB 3.33Å; E61-K65 PolarHBondContact O-N 3.48Å; E62-K65 WeakPolarHBondContact O-CB 3.27Å; E62-K65 PolarHBondContact O-N 2.86Å; E63-K65 VanDerWaalsContact C-N 3.26Å; E63-K65 PolarHBondContact O-N 3.35Å; K65-F67 VanDerWaalsContact C-N 3.34Å; K65-E77 WeakPolarHBondContact CE-OE2 3.46Å; K65-E77 HydrophobicContact CG-CB 4.35Å; K65-E77 IonicContact NZ-OE2 3.67Å; K65-E77 PolarHBondContact NZ-OE2 3.41Å; K65-E77 WeakPolarHBondContact O-CA 3.48Å; K65-L78 PolarHBondContact O-N 2.98Å; K65-T83 HydrophobicContact CB-CG2 4.45Å
66F95.2Very high94.2Very high79 Ų7953 Ų5335%0.34629%0.288SS..THydrogen-bonded Turntrans-93.112.3176.5-58.8-68.8000113.3E62 E63 L64 L68 Q69 K70 E77E62-F66 WeakPolarHBondContact O-CD2 2.96Å; E62-F66 PolarHBondContact O-N 2.68Å; E63-F66 CarbonylContact O-C 3.5Å; E63-F66 PolarHBondContact O-N 2.97Å; E63-F66 VanDerWaalsContact O-N 3.12Å; L64-F66 PolarHBondContact O-N 3.44Å; F66-L68 PolarHBondContact O-N 2.86Å; F66-Q69 VanDerWaalsContact CD1-OE1 3.28Å; F66-Q69 WeakPolarHBondContact O-CB 3.21Å; F66-Q69 PolarHBondContact O-N 2.93Å; F66-K70 PolarHBondContact O-N 2.75Å; F66-E77 HydrophobicContact CD1-CG 3.9Å; F66-E77 HydrophobicContact CE1-CG 3.88Å
67F94.6Very high94.3Very high0 Ų054 Ų540%029%0.287CS..Hα-helixtrans-52.6-50.6-174.4174.6-98.6000112.9F25 F30 F31 I51 E63 L64 K65 Q69 K70 F71 L78 F103F25-F67 HydrophobicContact CE2-CD1 4.22Å; F25-F67 HydrophobicContact CE2-CE1 4.08Å; F25-F67 AromaticContact CZ-CD1 3.79Å; F25-F67 HydrophobicContact CZ-CD1 3.79Å; F25-F67 AromaticContact CZ-CE1 3.69Å; F25-F67 HydrophobicContact CZ-CE1 3.69Å; F30-F67 AromaticContact CD1-CE1 3.79Å; F30-F67 HydrophobicContact CD1-CE1 3.79Å; F30-F67 HydrophobicContact CD1-CZ 4.12Å; F30-F67 AromaticContact CE1-CE1 3.56Å; F30-F67 HydrophobicContact CE1-CE1 3.56Å; F30-F67 AromaticContact CE1-CZ 3.85Å; F30-F67 HydrophobicContact CE1-CZ 3.85Å; F30-F67 HydrophobicContact CZ-CE1 4.14Å; F31-F67 HydrophobicContact CE1-CE2 4.37Å; F31-F67 AromaticContact CE1-CZ 3.67Å; F31-F67 HydrophobicContact CE1-CZ 3.67Å; F31-F67 HydrophobicContact CZ-CZ 4.13Å; I51-F67 HydrophobicContact CD1-CD2 3.89Å; I51-F67 HydrophobicContact CD1-CE2 3.53Å; I51-F67 HydrophobicContact CG1-CD2 4.46Å; I51-F67 HydrophobicContact CG1-CE2 4.49Å; I51-F67 HydrophobicContact CG2-CD2 4.24Å; E63-F67 PolarHBondContact O-N 3.28Å; L64-F67 WeakPolarHBondContact O-CB 3.22Å; L64-F67 PolarHBondContact O-N 3.08Å; K65-F67 VanDerWaalsContact C-N 3.34Å; F67-Q69 VanDerWaalsContact C-N 3.25Å; F67-Q69 PolarHBondContact O-N 3.5Å; F67-K70 VanDerWaalsContact O-CB 3.3Å; F67-K70 WeakPolarHBondContact O-CB 3.5Å; F67-K70 PolarHBondContact O-N 3.31Å; F67-K70 VanDerWaalsContact O-N 3.14Å; F67-F71 HydrophobicContact CD1-CE2 4.19Å; F67-F71 HydrophobicContact CD2-CE2 4.16Å; F67-F71 HydrophobicContact CE1-CD2 4.35Å; F67-F71 AromaticContact CE1-CE2 3.67Å; F67-F71 HydrophobicContact CE1-CE2 3.67Å; F67-F71 HydrophobicContact CE1-CZ 4.38Å; F67-F71 AromaticContact CE2-CE2 3.65Å; F67-F71 HydrophobicContact CE2-CE2 3.65Å; F67-F71 HydrophobicContact CE2-CZ 4.09Å; F67-F71 HydrophobicContact CG-CE2 4.4Å; F67-F71 HydrophobicContact CZ-CD2 4.41Å; F67-F71 AromaticContact CZ-CE2 3.34Å; F67-F71 HydrophobicContact CZ-CE2 3.34Å; F67-F71 AromaticContact CZ-CZ 3.73Å; F67-F71 HydrophobicContact CZ-CZ 3.73Å; F67-F71 VanDerWaalsContact O-CD2 3.27Å; F67-F71 WeakPolarHBondContact O-CD2 3.49Å; F67-L78 HydrophobicContact CB-CD1 4.26Å; F67-F103 HydrophobicContact CE2-CE2 4.02Å; F67-F103 HydrophobicContact CE2-CZ 4.28Å
68L94.7Very high94.3Very high2 Ų252.5 Ų52.51%0.0127%0.271CS..Hα-helixtrans-62.5-33.1179.8-59.5-177.8000112.6L16 F25 F30 F66 K70 F71 E72 A75 R76 L78L16-L68 HydrophobicContact CD2-CB 3.89Å; L16-L68 HydrophobicContact CD2-CD2 3.91Å; L16-L68 HydrophobicContact CD2-CG 4.32Å; F25-L68 HydrophobicContact CD2-CD2 3.86Å; F25-L68 HydrophobicContact CE2-CD2 3.58Å; F25-L68 HydrophobicContact CZ-CD2 4.45Å; F30-L68 HydrophobicContact CD2-CD2 4.13Å; F30-L68 HydrophobicContact CE2-CD2 3.7Å; F30-L68 HydrophobicContact CZ-CD2 4.12Å; F66-L68 PolarHBondContact O-N 2.86Å; L68-K70 PolarHBondContact O-N 3.02Å; L68-F71 WeakPolarHBondContact O-CB 3.37Å; L68-F71 PolarHBondContact O-N 2.97Å; L68-E72 PolarHBondContact O-N 2.96Å; L68-E72 VanDerWaalsContact O-N 3.08Å; L68-A75 HydrophobicContact CB-CB 3.78Å; L68-R76 HydrophobicContact CD1-CG 4.11Å; L68-L78 HydrophobicContact CD1-CD2 3.69Å; L68-L78 HydrophobicContact CD2-CD2 4.42Å; L68-L78 HydrophobicContact CG-CD2 3.79Å; L68-L78 HydrophobicContact CG-CG 4.42Å
69Q94Very high94.3Very high64 Ų6449.9 Ų49.930%0.29926%0.264SS..Hα-helixtrans-70.6-17.9-179.8-70.2-179.1-7.400113.5F66 F67 F71 E72 S73 A75F66-Q69 VanDerWaalsContact CD1-OE1 3.28Å; F66-Q69 WeakPolarHBondContact O-CB 3.21Å; F66-Q69 PolarHBondContact O-N 2.93Å; F67-Q69 VanDerWaalsContact C-N 3.25Å; F67-Q69 PolarHBondContact O-N 3.5Å; Q69-F71 VanDerWaalsContact C-N 3.27Å; Q69-E72 WeakPolarHBondContact CA-O 3.38Å; Q69-E72 CarbonylContact O-C 3.49Å; Q69-S73 PolarHBondContact O-N 2.91Å; Q69-A75 HydrophobicContact CG-CB 4.47Å; Q69-A75 WeakPolarHBondContact CG-O 3.33Å; Q69-A75 PolarHBondContact NE2-O 2.88Å
70K91.8Very high94.3Very high38 Ų3856.5 Ų56.517%0.16530%0.295CS..Hα-helixtrans-68.1-31.6168.5-59.1-66-174.4151.70111.2F50 I51 N53 F66 F67 L68F50-K70 HydrophobicContact CD1-CB 4.13Å; F50-K70 HydrophobicContact CE1-CB 3.96Å; F50-K70 HydrophobicContact CE1-CD 4.33Å; F50-K70 WeakPolarHBondContact CE1-O 3.19Å; F50-K70 PolarHBondContact O-NZ 3.19Å; I51-K70 HydrophobicContact CB-CG 4.33Å; I51-K70 HydrophobicContact CG1-CB 4.15Å; I51-K70 HydrophobicContact CG1-CG 4.14Å; I51-K70 HydrophobicContact CG2-CG 4.17Å; I51-K70 WeakPolarHBondContact O-CE 3.27Å; I51-K70 PolarHBondContact O-NZ 2.96Å; N53-K70 PolarHBondContact OD1-NZ 3.11Å; F66-K70 PolarHBondContact O-N 2.75Å; F67-K70 VanDerWaalsContact O-CB 3.3Å; F67-K70 WeakPolarHBondContact O-CB 3.5Å; F67-K70 PolarHBondContact O-N 3.31Å; F67-K70 VanDerWaalsContact O-N 3.14Å; L68-K70 PolarHBondContact O-N 3.02Å
71F92.4Very high94.3Very high12 Ų1257.7 Ų57.75%0.05331%0.308CS..Hα-helixtrans-82.7-42.1178.1-62.8-91.8000111.9I3 L7 I12 F30 L36 V47 I51 F67 L68 Q69I3-F71 HydrophobicContact CD1-CE1 4.36Å; I3-F71 HydrophobicContact CG1-CD1 3.89Å; I3-F71 HydrophobicContact CG1-CE1 4.03Å; I3-F71 HydrophobicContact CG2-CD1 4.49Å; I3-F71 WeakPolarHBondContact CG2-O 3.45Å; L7-F71 HydrophobicContact CD1-CD1 3.98Å; L7-F71 HydrophobicContact CD1-CE1 3.66Å; I12-F71 HydrophobicContact CG1-CD1 4.3Å; I12-F71 HydrophobicContact CG2-CB 3.8Å; F30-F71 HydrophobicContact CE1-CD1 4.34Å; F30-F71 HydrophobicContact CE1-CD2 4.07Å; F30-F71 HydrophobicContact CE1-CE1 4.11Å; F30-F71 AromaticContact CE1-CE2 3.84Å; F30-F71 HydrophobicContact CE1-CE2 3.84Å; F30-F71 HydrophobicContact CE1-CG 4.33Å; F30-F71 AromaticContact CE1-CZ 3.86Å; F30-F71 HydrophobicContact CE1-CZ 3.86Å; F30-F71 HydrophobicContact CZ-CB 4.49Å; F30-F71 HydrophobicContact CZ-CD1 4.18Å; F30-F71 AromaticContact CZ-CD2 3.78Å; F30-F71 HydrophobicContact CZ-CD2 3.78Å; F30-F71 HydrophobicContact CZ-CE1 4.4Å; F30-F71 HydrophobicContact CZ-CE2 4.05Å; F30-F71 AromaticContact CZ-CG 3.87Å; F30-F71 HydrophobicContact CZ-CG 3.87Å; F30-F71 HydrophobicContact CZ-CZ 4.35Å; L36-F71 HydrophobicContact CD1-CE1 3.74Å; L36-F71 HydrophobicContact CD1-CZ 3.75Å; V47-F71 HydrophobicContact CG1-CE1 4.49Å; V47-F71 HydrophobicContact CG1-CZ 4.23Å; I51-F71 HydrophobicContact CD1-CZ 4.45Å; F67-F71 HydrophobicContact CD1-CE2 4.19Å; F67-F71 HydrophobicContact CD2-CE2 4.16Å; F67-F71 HydrophobicContact CE1-CD2 4.35Å; F67-F71 AromaticContact CE1-CE2 3.67Å; F67-F71 HydrophobicContact CE1-CE2 3.67Å; F67-F71 HydrophobicContact CE1-CZ 4.38Å; F67-F71 AromaticContact CE2-CE2 3.65Å; F67-F71 HydrophobicContact CE2-CE2 3.65Å; F67-F71 HydrophobicContact CE2-CZ 4.09Å; F67-F71 HydrophobicContact CG-CE2 4.4Å; F67-F71 HydrophobicContact CZ-CD2 4.41Å; F67-F71 AromaticContact CZ-CE2 3.34Å; F67-F71 HydrophobicContact CZ-CE2 3.34Å; F67-F71 AromaticContact CZ-CZ 3.73Å; F67-F71 HydrophobicContact CZ-CZ 3.73Å; F67-F71 VanDerWaalsContact O-CD2 3.27Å; F67-F71 WeakPolarHBondContact O-CD2 3.49Å; L68-F71 WeakPolarHBondContact O-CB 3.37Å; L68-F71 PolarHBondContact O-N 2.97Å; Q69-F71 VanDerWaalsContact C-N 3.27Å
72E91.9Very high94.3Very high96 Ų9653.6 Ų53.645%0.44929%0.289SS..  trans-146.8119.1175.3-172.4-179.6152.900110.1L16 L68 Q69 G74 A75L16-E72 HydrophobicContact CD1-CB 3.34Å; L16-E72 HydrophobicContact CD1-CG 4.3Å; L16-E72 VanDerWaalsContact CD1-OE2 3.26Å; L16-E72 WeakPolarHBondContact CD1-OE2 3.31Å; L68-E72 PolarHBondContact O-N 2.96Å; L68-E72 VanDerWaalsContact O-N 3.08Å; Q69-E72 WeakPolarHBondContact CA-O 3.38Å; Q69-E72 CarbonylContact O-C 3.49Å; E72-G74 PolarHBondContact O-N 2.88Å; E72-A75 HydrophobicContact CB-CB 4.47Å; E72-A75 WeakPolarHBondContact O-CB 3.47Å; E72-A75 PolarHBondContact O-N 3.31Å
73S89.9Confident94.4Very high112 Ų11246.8 Ų46.878%0.78326%0.257SS*.THydrogen-bonded Turntrans-57.4-19.6-176.459.20000115.2Q69Q69-S73 PolarHBondContact O-N 2.91Å
74G91.2Very high94.4Very high64 Ų6450.7 Ų50.766%0.6627%0.274SS*.THydrogen-bonded Turntrans-88.4-4.5176.400000114.6E72E72-G74 PolarHBondContact O-N 2.88Å
75A93.2Very high94.3Very high15 Ų1554.1 Ų54.112%0.12430%0.298CS..SBendtrans-67.4155.3178.300000111.7L16 L68 Q69 E72L16-A75 HydrophobicContact CD1-CB 4.4Å; L16-A75 HydrophobicContact CD2-CB 3.85Å; L68-A75 HydrophobicContact CB-CB 3.78Å; Q69-A75 HydrophobicContact CG-CB 4.47Å; Q69-A75 WeakPolarHBondContact CG-O 3.33Å; Q69-A75 PolarHBondContact NE2-O 2.88Å; E72-A75 HydrophobicContact CB-CB 4.47Å; E72-A75 WeakPolarHBondContact O-CB 3.47Å; E72-A75 PolarHBondContact O-N 3.31Å
76R94.8Very high94.3Very high53 Ų5350.4 Ų50.420%0.228%0.282CS..PPolyproline II helixtrans-68.3158.6174.367.3172.7-174.283.8-6111.3C19 Q20 D21 L68 E82C19-R76 VanDerWaalsContact O-CZ 3.24Å; C19-R76 PolarHBondContact O-NE 2.79Å; C19-R76 PolarHBondContact O-NH2 2.71Å; Q20-R76 WeakPolarHBondContact O-CD 2.92Å; D21-R76 VanDerWaalsContact O-CZ 3.27Å; D21-R76 PolarHBondContact O-NE 3.27Å; D21-R76 PolarHBondContact O-NH2 2.95Å; L68-R76 HydrophobicContact CD1-CG 4.11Å; R76-E82 IonicContact CZ-OE1 3.69Å; R76-E82 IonicContact CZ-OE2 2.71Å; R76-E82 IonicContact NH1-OE1 2.65Å; R76-E82 IonicContact NH1-OE2 2.71Å; R76-E82 PolarHBondContact NH1-OE2 2.99Å; R76-E82 IonicContact NH2-OE1 2.68Å; R76-E82 PolarHBondContact NH2-OE1 3.23Å; R76-E82 IonicContact NH2-OE2 3.67Å; R76-E82 PolarHBondContact NH2-OE2 3.38Å
77E95.9Very high94.3Very high80 Ų8047.1 Ų47.137%0.37427%0.268SS..PPolyproline II helixtrans-70.4150.3164.3-65.9170.7-154.700109.5K65 F66K65-E77 WeakPolarHBondContact CE-OE2 3.46Å; K65-E77 HydrophobicContact CG-CB 4.35Å; K65-E77 IonicContact NZ-OE2 3.67Å; K65-E77 PolarHBondContact NZ-OE2 3.41Å; K65-E77 WeakPolarHBondContact O-CA 3.48Å; F66-E77 HydrophobicContact CD1-CG 3.9Å; F66-E77 HydrophobicContact CE1-CG 3.88Å
78L96.3Very high94.2Very high3 Ų351 Ų512%0.01630%0.301CS..PPolyproline II helixtrans-64.2143.1165.4-65.8-171.3000109.4F25 L64 K65 F67 L68 E82 T83 L86F25-L78 HydrophobicContact CB-CD2 3.77Å; F25-L78 HydrophobicContact CD1-CD1 3.87Å; F25-L78 HydrophobicContact CD1-CD2 3.65Å; F25-L78 HydrophobicContact CD1-CG 4.45Å; F25-L78 HydrophobicContact CD2-CD2 3.9Å; F25-L78 HydrophobicContact CE1-CD1 3.82Å; F25-L78 HydrophobicContact CE1-CD2 4.19Å; F25-L78 HydrophobicContact CE2-CD2 4.43Å; F25-L78 HydrophobicContact CG-CD2 3.48Å; F25-L78 VanDerWaalsContact CG-CD2 3.48Å; F25-L78 HydrophobicContact CZ-CD1 4.45Å; L64-L78 WeakPolarHBondContact O-CD1 3.45Å; K65-L78 PolarHBondContact O-N 2.98Å; F67-L78 HydrophobicContact CB-CD1 4.26Å; L68-L78 HydrophobicContact CD1-CD2 3.69Å; L68-L78 HydrophobicContact CD2-CD2 4.42Å; L68-L78 HydrophobicContact CG-CD2 3.79Å; L68-L78 HydrophobicContact CG-CG 4.42Å; L78-E82 WeakPolarHBondContact CA-OE2 3.12Å; L78-E82 HydrophobicContact CB-CB 4.03Å; L78-E82 HydrophobicContact CD2-CB 4.3Å; L78-T83 WeakPolarHBondContact CB-OG1 3.16Å; L78-L86 HydrophobicContact CD1-CD2 3.82Å
79T96.5Very high94.1Very high35 Ų3553.9 Ų53.922%0.21532%0.324CS..PPolyproline II helixtrans-67.3159.217172.60000109.3P22 D23 S81 E82 T83P22-T79 HydrophobicContact CB-CG2 3.92Å; D23-T79 WeakPolarHBondContact OD1-CB 3.24Å; D23-T79 PolarHBondContact OD1-OG1 3.28Å; T79-S81 PolarHBondContact O-N 3.36Å; T79-S81 VanDerWaalsContact O-N 3.14Å; T79-S81 PolarHBondContact OG1-N 2.75Å; T79-E82 PolarHBondContact N-OE2 2.82Å; T79-E82 PolarHBondContact O-N 3.1Å; T79-E82 WeakPolarHBondContact OG1-CG 3.45Å; T79-E82 PolarHBondContact OG1-N 2.87Å; T79-E82 VanDerWaalsContact OG1-N 3.12Å; T79-E82 PolarHBondContact OG1-OE2 3.03Å; T79-T83 PolarHBondContact O-N 3.4Å; T79-T83 PolarHBondContact O-OG1 3.26Å
80E95.6Very high94Very high139 Ų13950.9 Ų50.965%0.6531%0.31SS*.Hα-helixtrans-56.1-33.5175.5-170.9-177.2167.400111.9K84E80-K84 HydrophobicContact CG-CD 4.33Å; E80-K84 WeakPolarHBondContact O-CB 3.25Å; E80-K84 VanDerWaalsContact O-CG 3.27Å; E80-K84 WeakPolarHBondContact O-CG 3.45Å; E80-K84 PolarHBondContact O-N 3.26Å; E80-K84 VanDerWaalsContact O-N 3.08Å; E80-K84 WeakPolarHBondContact OE1-CE 3.28Å; E80-K84 IonicContact OE1-NZ 3.62Å; E80-K84 PolarHBondContact OE1-NZ 3.27Å
81S95.4Very high94.2Very high81 Ų8150.5 Ų50.557%0.56631%0.31SS*.Hα-helixtrans-67.3-45.9175.6-173.20000111.7T79 S85T79-S81 PolarHBondContact O-N 3.36Å; T79-S81 VanDerWaalsContact O-N 3.14Å; T79-S81 PolarHBondContact OG1-N 2.75Å; S81-S85 VanDerWaalsContact O-CB 3.27Å; S81-S85 WeakPolarHBondContact O-CB 3.06Å; S81-S85 PolarHBondContact O-N 3.4Å
82E96.5Very high94.3Very high9 Ų955 Ų554%0.04234%0.335CS..Hα-helixtrans-66.7-43.1178.1-70.5169.9148.400112.1D23 T24 F25 R76 L78 T79 K84 S85 L86D23-E82 WeakPolarHBondContact CA-OE1 3.11Å; D23-E82 PolarHBondContact N-OE1 3.46Å; T24-E82 PolarHBondContact N-OE1 3.27Å; F25-E82 HydrophobicContact CB-CB 4.36Å; F25-E82 VanDerWaalsContact CB-CD 3.48Å; F25-E82 HydrophobicContact CB-CG 3.96Å; F25-E82 WeakPolarHBondContact CB-OE1 3.27Å; F25-E82 PolarHBondContact N-OE1 3.2Å; R76-E82 IonicContact CZ-OE1 3.69Å; R76-E82 IonicContact CZ-OE2 2.71Å; R76-E82 IonicContact NH1-OE1 2.65Å; R76-E82 IonicContact NH1-OE2 2.71Å; R76-E82 PolarHBondContact NH1-OE2 2.99Å; R76-E82 IonicContact NH2-OE1 2.68Å; R76-E82 PolarHBondContact NH2-OE1 3.23Å; R76-E82 IonicContact NH2-OE2 3.67Å; R76-E82 PolarHBondContact NH2-OE2 3.38Å; L78-E82 WeakPolarHBondContact CA-OE2 3.12Å; L78-E82 HydrophobicContact CB-CB 4.03Å; L78-E82 HydrophobicContact CD2-CB 4.3Å; T79-E82 PolarHBondContact N-OE2 2.82Å; T79-E82 PolarHBondContact O-N 3.1Å; T79-E82 WeakPolarHBondContact OG1-CG 3.45Å; T79-E82 PolarHBondContact OG1-N 2.87Å; T79-E82 VanDerWaalsContact OG1-N 3.12Å; T79-E82 PolarHBondContact OG1-OE2 3.03Å; E82-K84 PolarHBondContact O-N 3.41Å; E82-S85 PolarHBondContact O-N 3.09Å; E82-L86 VanDerWaalsContact O-CB 3.29Å; E82-L86 WeakPolarHBondContact O-CB 3.39Å; E82-L86 PolarHBondContact O-N 3.45Å
83T96.3Very high94.4Very high5 Ų555.6 Ų55.63%0.03134%0.341CS..Hα-helixtrans-58.9-47.9175.8-61.80000111E61 L64 K65 L78 T79 S85 L86 M87E61-T83 HydrophobicContact CB-CG2 4.13Å; E61-T83 VanDerWaalsContact O-CG2 3.24Å; E61-T83 WeakPolarHBondContact O-CG2 3.48Å; L64-T83 HydrophobicContact CB-CG2 4.02Å; K65-T83 HydrophobicContact CB-CG2 4.45Å; L78-T83 WeakPolarHBondContact CB-OG1 3.16Å; T79-T83 PolarHBondContact O-N 3.4Å; T79-T83 PolarHBondContact O-OG1 3.26Å; T83-S85 VanDerWaalsContact C-N 3.35Å; T83-S85 PolarHBondContact O-N 2.88Å; T83-L86 PolarHBondContact O-N 2.89Å; T83-M87 WeakPolarHBondContact O-CB 3.26Å; T83-M87 PolarHBondContact O-N 3.46Å
84K95Very high94.5Very high97 Ų9753 Ų5342%0.42233%0.332SS..Hα-helixtrans-65.5-38.8177.1-74.5177.6-175.5171.50112.4E80 E82 L86 M87 A88E80-K84 HydrophobicContact CG-CD 4.33Å; E80-K84 WeakPolarHBondContact O-CB 3.25Å; E80-K84 VanDerWaalsContact O-CG 3.27Å; E80-K84 WeakPolarHBondContact O-CG 3.45Å; E80-K84 PolarHBondContact O-N 3.26Å; E80-K84 VanDerWaalsContact O-N 3.08Å; E80-K84 WeakPolarHBondContact OE1-CE 3.28Å; E80-K84 IonicContact OE1-NZ 3.62Å; E80-K84 PolarHBondContact OE1-NZ 3.27Å; E82-K84 PolarHBondContact O-N 3.41Å; K84-L86 VanDerWaalsContact C-N 3.33Å; K84-M87 PolarHBondContact O-N 2.94Å; K84-A88 VanDerWaalsContact O-CB 3.24Å; K84-A88 WeakPolarHBondContact O-CB 3.49Å; K84-A88 PolarHBondContact O-N 3.42Å
85S93.7Very high94.7Very high74 Ų7453.3 Ų53.352%0.51732%0.319SS..Hα-helixtrans-66.3-37.2176.5-171.60000111.8S81 E82 T83 A89S81-S85 VanDerWaalsContact O-CB 3.27Å; S81-S85 WeakPolarHBondContact O-CB 3.06Å; S81-S85 PolarHBondContact O-N 3.4Å; E82-S85 PolarHBondContact O-N 3.09Å; T83-S85 VanDerWaalsContact C-N 3.35Å; T83-S85 PolarHBondContact O-N 2.88Å; S85-A89 VanDerWaalsContact O-CB 3.25Å; S85-A89 WeakPolarHBondContact O-CB 3.43Å; S85-A89 PolarHBondContact O-N 3.15Å; S85-A89 VanDerWaalsContact O-N 3.11Å
86L94.5Very high94.8Very high1 Ų154.4 Ų54.41%0.00533%0.332CS..Hα-helixtrans-67.4-47.4175.9176.661000110.6F25 P27 L64 L78 E82 T83 K84 A89 A90 M106F25-L86 HydrophobicContact CE1-CD1 4.26Å; F25-L86 HydrophobicContact CE1-CD2 4.01Å; P27-L86 HydrophobicContact CB-CD1 3.77Å; P27-L86 HydrophobicContact CG-CD1 3.63Å; L64-L86 HydrophobicContact CB-CD2 4.2Å; L64-L86 HydrophobicContact CD1-CD2 4.28Å; L64-L86 HydrophobicContact CD1-CG 4.21Å; L64-L86 HydrophobicContact CD2-CD2 3.78Å; L64-L86 HydrophobicContact CD2-CG 4.35Å; L64-L86 HydrophobicContact CG-CD2 4.3Å; L78-L86 HydrophobicContact CD1-CD2 3.82Å; E82-L86 VanDerWaalsContact O-CB 3.29Å; E82-L86 WeakPolarHBondContact O-CB 3.39Å; E82-L86 PolarHBondContact O-N 3.45Å; T83-L86 PolarHBondContact O-N 2.89Å; K84-L86 VanDerWaalsContact C-N 3.33Å; L86-A89 PolarHBondContact O-N 3.39Å; L86-A90 PolarHBondContact O-N 3.42Å; L86-M106 HydrophobicContact CD1-CE 4Å; L86-M106 HydrophobicContact CD1-SD 3.45Å; L86-M106 WeakPolarHBondContact CD1-SD 3.49Å
87M95.4Very high94.8Very high9 Ų954.9 Ų54.94%0.04434%0.335CS..Hα-helixtrans-56.9-53.9175-173.762.981.900110.8E61 L64 T83 K84 A89 A90 D91 G96 I98E61-M87 HydrophobicContact CB-CE 4.43Å; E61-M87 HydrophobicContact CG-CE 3.71Å; L64-M87 HydrophobicContact CD1-CB 4.08Å; L64-M87 HydrophobicContact CD1-CE 3.55Å; L64-M87 HydrophobicContact CD1-SD 4.05Å; L64-M87 HydrophobicContact CG-CE 4.48Å; T83-M87 WeakPolarHBondContact O-CB 3.26Å; T83-M87 PolarHBondContact O-N 3.46Å; K84-M87 PolarHBondContact O-N 2.94Å; M87-A89 PolarHBondContact O-N 2.69Å; M87-A89 VanDerWaalsContact O-N 3.11Å; M87-A90 PolarHBondContact O-N 2.86Å; M87-D91 HydrophobicContact CG-CB 4.22Å; M87-D91 VanDerWaalsContact O-CB 3.27Å; M87-D91 WeakPolarHBondContact O-CB 3.38Å; M87-D91 PolarHBondContact O-N 3.43Å; M87-D91 HydrophobicContact SD-CB 3.94Å; M87-G96 WeakPolarHBondContact CE-O 3.48Å; M87-I98 HydrophobicContact SD-CD1 4.15Å; M87-I98 HydrophobicContact SD-CG1 3.68Å
88A93.4Very high94.9Very high83 Ų8351 Ų5169%0.68632%0.317SS*.Hα-helixtrans-64.3-19.8-178.600000114.3K84K84-A88 VanDerWaalsContact O-CB 3.24Å; K84-A88 WeakPolarHBondContact O-CB 3.49Å; K84-A88 PolarHBondContact O-N 3.42Å
89A91.5Very high94.9Very high61 Ų6151.4 Ų51.450%0.50432%0.322SS..Hα-helixtrans-84.6-15.9176.100000113.3S85 L86 M87S85-A89 VanDerWaalsContact O-CB 3.25Å; S85-A89 WeakPolarHBondContact O-CB 3.43Å; S85-A89 PolarHBondContact O-N 3.15Å; S85-A89 VanDerWaalsContact O-N 3.11Å; L86-A89 PolarHBondContact O-N 3.39Å; M87-A89 PolarHBondContact O-N 2.69Å; M87-A89 VanDerWaalsContact O-N 3.11Å
90A93.5Very high94.8Very high1 Ų151.1 Ų51.11%0.00832%0.323CS..Hα-helixtrans-123.5-34.7-170.700000114.2L86 M87 N92 I98 E102 M106L86-A90 PolarHBondContact O-N 3.42Å; M87-A90 PolarHBondContact O-N 2.86Å; A90-N92 VanDerWaalsContact C-N 3.3Å; A90-N92 PolarHBondContact O-N 2.98Å; A90-I98 HydrophobicContact CB-CD1 3.4Å; A90-I98 VanDerWaalsContact CB-CD1 3.4Å; A90-I98 HydrophobicContact CB-CG1 3.77Å; A90-I98 HydrophobicContact CB-CG2 4.09Å; A90-E102 WeakPolarHBondContact O-CB 3.29Å; A90-M106 HydrophobicContact CB-CB 4.34Å; A90-M106 HydrophobicContact CB-CE 4.14Å; A90-M106 HydrophobicContact CB-CG 4.39Å; A90-M106 HydrophobicContact CB-SD 3.69Å
91D95.9Very high94.7Very high31 Ų3152 Ų5217%0.16633%0.327CS..  trans-68.585.2174.7179.211.4000109.5M87 G94 D95 G96M87-D91 HydrophobicContact CG-CB 4.22Å; M87-D91 VanDerWaalsContact O-CB 3.27Å; M87-D91 WeakPolarHBondContact O-CB 3.38Å; M87-D91 PolarHBondContact O-N 3.43Å; M87-D91 HydrophobicContact SD-CB 3.94Å; D91-G94 WeakPolarHBondContact OD1-CA 3.26Å; D91-G94 PolarHBondContact OD1-N 3.04Å; D91-D95 PolarHBondContact OD1-N 3.09Å; D91-D95 VanDerWaalsContact OD1-N 3.13Å; D91-G96 VanDerWaalsContact OD2-CA 3.25Å; D91-G96 WeakPolarHBondContact OD2-CA 3.39Å; D91-G96 PolarHBondContact OD2-N 3.42Å
92N93.2Very high94.8Very high106 Ų10649.1 Ų49.157%0.56730%0.304SS*.SBendtrans-83.7-27.6-174.9-78.1-39.1000111.2A90 E102 E105A90-N92 VanDerWaalsContact C-N 3.3Å; A90-N92 PolarHBondContact O-N 2.98Å; N92-E102 HydrophobicContact CB-CG 4.44Å; N92-E102 PolarHBondContact N-OE1 3.21Å; N92-E105 PolarHBondContact ND2-OE2 3.32Å
93D94.3Very high94.7Very high108 Ų10848.7 Ų48.758%0.57830%0.303SS*.SBendtrans-90.6-15.1178.479.712.7000114D95 E102D93-D95 VanDerWaalsContact OD1-CB 3.23Å; D93-D95 WeakPolarHBondContact OD1-CB 3.35Å; D93-D95 PolarHBondContact OD1-N 3.04Å; D93-E102 PolarHBondContact N-OE1 3.33Å; D93-E102 VanDerWaalsContact N-OE1 3.17Å
94G92.5Very high94.6Very high59 Ų5951.6 Ų51.661%0.60832%0.316SS*.  trans78.524.9174.600000113.7D91 G96D91-G94 WeakPolarHBondContact OD1-CA 3.26Å; D91-G94 PolarHBondContact OD1-N 3.04Å; G94-G96 VanDerWaalsContact C-N 3.29Å
95D95Very high94.5Very high69 Ų6952.6 Ų52.637%0.36932%0.322SS..SBendtrans-85-1.8178.781-0.1000113.9D91 D93 K97D91-D95 PolarHBondContact OD1-N 3.09Å; D91-D95 VanDerWaalsContact OD1-N 3.13Å; D93-D95 VanDerWaalsContact OD1-CB 3.23Å; D93-D95 WeakPolarHBondContact OD1-CB 3.35Å; D93-D95 PolarHBondContact OD1-N 3.04Å; D95-K97 VanDerWaalsContact CG-CE 3.4Å; D95-K97 WeakPolarHBondContact OD1-CG 3.3Å; D95-K97 PolarHBondContact OD1-N 3.37Å; D95-K97 VanDerWaalsContact OD1-N 3.12Å; D95-K97 WeakPolarHBondContact OD2-CE 3.48Å; D95-K97 IonicContact OD2-NZ 3.22Å
96G94.6Very high94.5Very high39 Ų3949.9 Ų49.940%0.40230%0.301SS..SBendtrans83.316.1175.100000114M87 D91 G94M87-G96 WeakPolarHBondContact CE-O 3.48Å; D91-G96 VanDerWaalsContact OD2-CA 3.25Å; D91-G96 WeakPolarHBondContact OD2-CA 3.39Å; D91-G96 PolarHBondContact OD2-N 3.42Å; G94-G96 VanDerWaalsContact C-N 3.29Å
97K96.4Very high94.5Very high62 Ų6249.9 Ų49.927%0.2730%0.301SS..SBendtrans-150.2162.5178.354.7-175.7-174.4164.70108.9Y58 L59 D95Y58-K97 HydrophobicContact CD1-CD 3.62Å; Y58-K97 VanDerWaalsContact CD1-CE 3.45Å; Y58-K97 HydrophobicContact CD1-CG 3.84Å; Y58-K97 HydrophobicContact CD2-CD 4.05Å; Y58-K97 HydrophobicContact CE1-CD 4.29Å; Y58-K97 VanDerWaalsContact CE2-NZ 3.26Å; Y58-K97 HydrophobicContact CG-CD 3.49Å; Y58-K97 VanDerWaalsContact CG-CD 3.49Å; Y58-K97 HydrophobicContact CG-CG 4.07Å; Y58-K97 VanDerWaalsContact CZ-NZ 3.33Å; L59-K97 CarbonylContact O-C 3.43Å; L59-K97 VanDerWaalsContact O-CA 3.3Å; L59-K97 WeakPolarHBondContact O-CA 3.21Å; L59-K97 WeakPolarHBondContact O-CB 3.4Å; D95-K97 VanDerWaalsContact CG-CE 3.4Å; D95-K97 WeakPolarHBondContact OD1-CG 3.3Å; D95-K97 PolarHBondContact OD1-N 3.37Å; D95-K97 VanDerWaalsContact OD1-N 3.12Å; D95-K97 WeakPolarHBondContact OD2-CE 3.48Å; D95-K97 IonicContact OD2-NZ 3.22Å
98I97.2Very high94.3Very high0 Ų053.3 Ų53.30%032%0.317CS..EExtended strand (participates in β ladder)trans-108.1117.5-177.8-57.6169.2000108.9F48 Y58 L59 L64 M87 A90 E102 F103F48-I98 WeakPolarHBondContact CE2-O 3.41Å; Y58-I98 CarbonylContact C-O 3.54Å; Y58-I98 WeakPolarHBondContact CA-O 3.48Å; L59-I98 HydrophobicContact CB-CB 4.26Å; L59-I98 PolarHBondContact N-O 3.41Å; L59-I98 PolarHBondContact O-N 2.89Å; L64-I98 HydrophobicContact CD1-CD1 3.55Å; L64-I98 HydrophobicContact CD1-CG1 4.42Å; L64-I98 HydrophobicContact CD2-CD1 3.99Å; L64-I98 HydrophobicContact CG-CD1 4.32Å; M87-I98 HydrophobicContact SD-CD1 4.15Å; M87-I98 HydrophobicContact SD-CG1 3.68Å; A90-I98 HydrophobicContact CB-CD1 3.4Å; A90-I98 VanDerWaalsContact CB-CD1 3.4Å; A90-I98 HydrophobicContact CB-CG1 3.77Å; A90-I98 HydrophobicContact CB-CG2 4.09Å; I98-E102 HydrophobicContact CG2-CB 3.77Å; I98-F103 HydrophobicContact CG2-CB 3.88Å
99G96.2Very high93.7Very high10 Ų1054.4 Ų54.410%0.10332%0.32CS..EExtended strand (participates in β ladder)trans-74.6166.7171.600000113.3E101 E102 F103G99-E101 PolarHBondContact O-N 3.17Å; G99-E102 PolarHBondContact N-OE2 3.43Å; G99-E102 PolarHBondContact O-N 3.25Å; G99-F103 WeakPolarHBondContact O-CB 3.4Å; G99-F103 PolarHBondContact O-N 3.03Å
100A94.8Very high93.8Very high29 Ų2954.1 Ų54.124%0.2431%0.31CS..Hα-helixtrans-60.2-32.8178.900000113.7F48 Q104F48-A100 HydrophobicContact CD1-CB 3.93Å; F48-A100 HydrophobicContact CD2-CB 4.39Å; F48-A100 HydrophobicContact CE1-CB 3.92Å; F48-A100 HydrophobicContact CE2-CB 4.34Å; F48-A100 HydrophobicContact CG-CB 4.17Å; F48-A100 HydrophobicContact CZ-CB 4.12Å; A100-Q104 WeakPolarHBondContact O-CB 3.29Å; A100-Q104 PolarHBondContact O-N 3.11Å; A100-Q104 VanDerWaalsContact O-N 3.13Å
101E94.4Very high93.8Very high159 Ų15956.8 Ų56.874%0.74333%0.326SS*.Hα-helixtrans-71.7-45.6177.5-65.8-176.1174.700111G99 F103 Q104 E105G99-E101 PolarHBondContact O-N 3.17Å; E101-F103 PolarHBondContact O-N 3.18Å; E101-Q104 WeakPolarHBondContact O-CB 3.41Å; E101-Q104 PolarHBondContact O-N 2.87Å; E101-Q104 VanDerWaalsContact O-N 3.13Å; E101-E105 WeakPolarHBondContact O-CG 3.43Å; E101-E105 PolarHBondContact O-N 3.15Å
102E96.1Very high93.7Very high19 Ų1958.3 Ų58.39%0.08934%0.335CS..Hα-helixtrans-62.5-43.1176.3-68.9175131.600112.3A90 N92 D93 I98 G99 Q104 E105 M106A90-E102 WeakPolarHBondContact O-CB 3.29Å; N92-E102 HydrophobicContact CB-CG 4.44Å; N92-E102 PolarHBondContact N-OE1 3.21Å; D93-E102 PolarHBondContact N-OE1 3.33Å; D93-E102 VanDerWaalsContact N-OE1 3.17Å; I98-E102 HydrophobicContact CG2-CB 3.77Å; G99-E102 PolarHBondContact N-OE2 3.43Å; G99-E102 PolarHBondContact O-N 3.25Å; E102-Q104 VanDerWaalsContact C-N 3.27Å; E102-Q104 PolarHBondContact O-N 3.18Å; E102-E105 PolarHBondContact O-N 3Å; E102-M106 WeakPolarHBondContact O-CB 3.4Å; E102-M106 PolarHBondContact O-N 3.5Å
103F95.3Very high93.7Very high1 Ų155.5 Ų55.50%0.00432%0.322CS..Hα-helixtrans-60.2-40.9173.7-175.2-101.9000111.3F31 V44 V47 F48 I51 L59 F67 I98 G99 E101 M106 V107F31-F103 HydrophobicContact CE1-CE2 4.33Å; F31-F103 HydrophobicContact CE1-CZ 4.25Å; F31-F103 HydrophobicContact CZ-CE2 4.21Å; V44-F103 HydrophobicContact CG1-CD1 3.74Å; V44-F103 HydrophobicContact CG1-CE1 3.81Å; V47-F103 HydrophobicContact CG1-CE1 4.31Å; V47-F103 HydrophobicContact CG1-CZ 4.36Å; F48-F103 HydrophobicContact CB-CD1 3.88Å; F48-F103 HydrophobicContact CB-CE1 4.25Å; F48-F103 HydrophobicContact CD2-CB 3.61Å; F48-F103 AromaticContact CD2-CD1 3.98Å; F48-F103 HydrophobicContact CD2-CD1 3.98Å; F48-F103 HydrophobicContact CD2-CD2 4.46Å; F48-F103 AromaticContact CD2-CG 3.77Å; F48-F103 HydrophobicContact CD2-CG 3.77Å; F48-F103 HydrophobicContact CE2-CB 4.09Å; F48-F103 HydrophobicContact CG-CD1 4.44Å; I51-F103 HydrophobicContact CD1-CE1 4.45Å; I51-F103 HydrophobicContact CD1-CE2 4.06Å; I51-F103 HydrophobicContact CD1-CZ 3.68Å; L59-F103 HydrophobicContact CD1-CD2 3.95Å; L59-F103 HydrophobicContact CD1-CE2 4.26Å; F67-F103 HydrophobicContact CE2-CE2 4.02Å; F67-F103 HydrophobicContact CE2-CZ 4.28Å; I98-F103 HydrophobicContact CG2-CB 3.88Å; G99-F103 WeakPolarHBondContact O-CB 3.4Å; G99-F103 PolarHBondContact O-N 3.03Å; E101-F103 PolarHBondContact O-N 3.18Å; F103-M106 HydrophobicContact CD2-CE 3.52Å; F103-M106 HydrophobicContact CE2-CE 3.82Å; F103-M106 HydrophobicContact CG-CE 4.45Å; F103-M106 PolarHBondContact O-N 2.92Å; F103-V107 HydrophobicContact CD1-CG2 4.1Å; F103-V107 HydrophobicContact CE1-CG2 3.76Å; F103-V107 HydrophobicContact CE2-CG2 4.39Å; F103-V107 HydrophobicContact CZ-CG2 3.91Å; F103-V107 WeakPolarHBondContact O-CB 2.99Å; F103-V107 VanDerWaalsContact O-CG2 3.22Å; F103-V107 WeakPolarHBondContact O-CG2 3.48Å; F103-V107 PolarHBondContact O-N 2.96Å
104Q94.2Very high93.7Very high65 Ų6552.2 Ų52.230%0.30431%0.306SS..Hα-helixtrans-66.8-41.8177.7-177.1-173.2-31.700112.3V44 A100 E101 E102 M106 V107 H108V44-Q104 HydrophobicContact CG1-CB 4.23Å; V44-Q104 HydrophobicContact CG1-CG 4.39Å; A100-Q104 WeakPolarHBondContact O-CB 3.29Å; A100-Q104 PolarHBondContact O-N 3.11Å; A100-Q104 VanDerWaalsContact O-N 3.13Å; E101-Q104 WeakPolarHBondContact O-CB 3.41Å; E101-Q104 PolarHBondContact O-N 2.87Å; E101-Q104 VanDerWaalsContact O-N 3.13Å; E102-Q104 VanDerWaalsContact C-N 3.27Å; E102-Q104 PolarHBondContact O-N 3.18Å; Q104-M106 VanDerWaalsContact C-N 3.33Å; Q104-V107 PolarHBondContact O-N 2.95Å; Q104-H108 PolarHBondContact O-CD2 2.74Å; Q104-H108 PolarHBondContact O-N 3.46Å; Q104-H108 VanDerWaalsContact O-N 3.09Å
105E93.3Very high93.8Very high118 Ų11851.7 Ų51.755%0.55129%0.285SS*.Hα-helixtrans-60.4-44.9174.3-73.4-176.3171.900111.1N92 E101 E102 V107 H108 S109N92-E105 PolarHBondContact ND2-OE2 3.32Å; E101-E105 WeakPolarHBondContact O-CG 3.43Å; E101-E105 PolarHBondContact O-N 3.15Å; E102-E105 PolarHBondContact O-N 3Å; E105-V107 PolarHBondContact O-N 3.45Å; E105-H108 PolarHBondContact O-N 2.91Å; E105-S109 WeakPolarHBondContact O-CB 3.37Å; E105-S109 PolarHBondContact O-N 3.29Å
106M93.8Very high93.7Very high17 Ų1750.5 Ų50.58%0.08428%0.279CS..Hα-helixtrans-61.4-41.1176.6-175.5-172.743.600112.3P27 F31 L86 A90 E102 F103 Q104 H108P27-M106 HydrophobicContact CB-SD 4.29Å; F31-M106 HydrophobicContact CD2-CG 4.47Å; F31-M106 HydrophobicContact CE2-CE 3.7Å; F31-M106 HydrophobicContact CE2-CG 3.71Å; F31-M106 HydrophobicContact CE2-SD 3.71Å; F31-M106 HydrophobicContact CZ-CE 3.54Å; F31-M106 HydrophobicContact CZ-SD 4.1Å; L86-M106 HydrophobicContact CD1-CE 4Å; L86-M106 HydrophobicContact CD1-SD 3.45Å; L86-M106 WeakPolarHBondContact CD1-SD 3.49Å; A90-M106 HydrophobicContact CB-CB 4.34Å; A90-M106 HydrophobicContact CB-CE 4.14Å; A90-M106 HydrophobicContact CB-CG 4.39Å; A90-M106 HydrophobicContact CB-SD 3.69Å; E102-M106 WeakPolarHBondContact O-CB 3.4Å; E102-M106 PolarHBondContact O-N 3.5Å; F103-M106 HydrophobicContact CD2-CE 3.52Å; F103-M106 HydrophobicContact CE2-CE 3.82Å; F103-M106 HydrophobicContact CG-CE 4.45Å; F103-M106 PolarHBondContact O-N 2.92Å; Q104-M106 VanDerWaalsContact C-N 3.33Å; M106-H108 VanDerWaalsContact C-N 3.35Å
107V93.7Very high93.6Very high1 Ų151.4 Ų51.41%0.00627%0.27CS..Hα-helixtrans-69.2-31.6-179.8168.60000112.6F31 L36 S37 V44 F103 Q104 E105F31-V107 HydrophobicContact CD1-CG2 3.87Å; F31-V107 HydrophobicContact CD2-CG2 4.16Å; F31-V107 HydrophobicContact CE1-CG2 3.82Å; F31-V107 HydrophobicContact CE2-CG2 4.19Å; F31-V107 HydrophobicContact CG-CG2 4.04Å; F31-V107 HydrophobicContact CZ-CG2 4.02Å; L36-V107 HydrophobicContact CB-CG1 3.92Å; L36-V107 WeakPolarHBondContact O-CG1 3.31Å; S37-V107 WeakPolarHBondContact CA-O 3.39Å; S37-V107 WeakPolarHBondContact CB-O 3.45Å; V44-V107 HydrophobicContact CG1-CB 4.06Å; V44-V107 HydrophobicContact CG1-CG1 4.12Å; V44-V107 HydrophobicContact CG1-CG2 4Å; V44-V107 HydrophobicContact CG2-CG1 3.8Å; F103-V107 HydrophobicContact CD1-CG2 4.1Å; F103-V107 HydrophobicContact CE1-CG2 3.76Å; F103-V107 HydrophobicContact CE2-CG2 4.39Å; F103-V107 HydrophobicContact CZ-CG2 3.91Å; F103-V107 WeakPolarHBondContact O-CB 2.99Å; F103-V107 VanDerWaalsContact O-CG2 3.22Å; F103-V107 WeakPolarHBondContact O-CG2 3.48Å; F103-V107 PolarHBondContact O-N 2.96Å; Q104-V107 PolarHBondContact O-N 2.95Å; E105-V107 PolarHBondContact O-N 3.45Å
108H90.8Very high93.4Very high81 Ų8150.5 Ų50.538%0.37527%0.27SS..Hα-helixtrans-99.93-179.2-70.2-48.3000114.9S37 M39 Q104 E105 M106S37-H108 PolarHBondContact O-ND1 3.34Å; M39-H108 PolarHBondContact O-CE1 2.79Å; Q104-H108 PolarHBondContact O-CD2 2.74Å; Q104-H108 PolarHBondContact O-N 3.46Å; Q104-H108 VanDerWaalsContact O-N 3.09Å; E105-H108 PolarHBondContact O-N 2.91Å; M106-H108 VanDerWaalsContact C-N 3.35Å
109S81.2Confident93.1Very high106 Ų10655.1 Ų55.174%0.74130%0.295SS*.  trans-69.80175.1-176.10000112.7E105E105-S109 WeakPolarHBondContact O-CB 3.37Å; E105-S109 PolarHBondContact O-N 3.29Å

Retrieved 109 of 109 residues in 224.5 ms (Link to these results)

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