A0A061I0V5_CRIGR Loading...

Parvalbumin

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

AlphaFold DB , UniProt , Accession A0A061I0V5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Ocm2, 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
1M50.8Low76.7Confident207 Ų20776.1 Ų76.1100%1.0244%0.44SS*.  0129.20-61.6180-153.200104.5F50M1-F50 WeakPolarHBondContact O-CE2 3.48Å
2S65.5Low77.5Confident66 Ų6669.9 Ų69.946%0.46240%0.404SS..  trans-111.7150.7176.1-66.10000107T4 D5S2-T4 WeakPolarHBondContact CB-OG1 3.29Å; S2-T4 PolarHBondContact O-N 3.23Å; S2-D5 PolarHBondContact N-OD2 3.07Å; S2-D5 VanDerWaalsContact N-OD2 3.09Å; S2-D5 WeakPolarHBondContact O-CB 3.09Å; S2-D5 PolarHBondContact O-N 2.72Å
3I73.4Confident78.2Confident5 Ų567.7 Ų67.73%0.02640%0.399CS..G310 helixtrans-59-19.4176.2-160154.8000112.5D5 V6 L7 I12 V47 F50 F71I3-D5 PolarHBondContact O-N 3.24Å; I3-V6 PolarHBondContact O-N 2.99Å; I3-L7 HydrophobicContact CD1-CD1 4.25Å; I3-L7 HydrophobicContact CG1-CD1 3.94Å; I3-L7 HydrophobicContact CG1-CG 4.43Å; I3-L7 PolarHBondContact O-N 3.32Å; I3-I12 HydrophobicContact CG2-CD1 3.87Å; I3-V47 HydrophobicContact CD1-CB 4.21Å; I3-V47 HydrophobicContact CD1-CG1 3.59Å; I3-V47 HydrophobicContact CD1-CG2 4.01Å; I3-V47 HydrophobicContact CG1-CG2 4.02Å; I3-F50 HydrophobicContact CB-CD1 3.72Å; I3-F50 HydrophobicContact CB-CE1 3.79Å; I3-F50 HydrophobicContact CB-CG 4.39Å; I3-F50 HydrophobicContact CD1-CD1 3.97Å; I3-F50 HydrophobicContact CG1-CD1 4.29Å; I3-F50 HydrophobicContact CG2-CE1 4.31Å; I3-F71 HydrophobicContact CD1-CD1 3.59Å; I3-F71 HydrophobicContact CD1-CE1 3.26Å; I3-F71 HydrophobicContact CD1-CG 4.38Å; I3-F71 HydrophobicContact CD1-CZ 3.77Å; I3-F71 HydrophobicContact CG1-CD1 4.25Å; I3-F71 HydrophobicContact CG1-CE1 4.18Å; I3-F71 HydrophobicContact CG2-CD1 4.1Å
4T72.3Confident79Confident70 Ų7066 Ų6643%0.42940%0.397SS..G310 helixtrans-64.8-12.3171.660.10000114.6S2 V6 L7 A9 I12S2-T4 WeakPolarHBondContact CB-OG1 3.29Å; S2-T4 PolarHBondContact O-N 3.23Å; T4-V6 VanDerWaalsContact C-N 3.26Å; T4-L7 CarbonylContact C-O 3.57Å; T4-L7 VanDerWaalsContact CA-O 3.24Å; T4-L7 WeakPolarHBondContact CA-O 3.25Å; T4-L7 VanDerWaalsContact O-O 3.09Å; T4-A9 HydrophobicContact CG2-CB 4.48Å; T4-I12 HydrophobicContact CG2-CD1 4.31Å
5D75.8Confident79.7Confident124 Ų12461.6 Ų61.666%0.66337%0.37SS*.G310 helixtrans-75.2-21.7170-68.2-42000111.2S2 I3S2-D5 PolarHBondContact N-OD2 3.07Å; S2-D5 VanDerWaalsContact N-OD2 3.09Å; S2-D5 WeakPolarHBondContact O-CB 3.09Å; S2-D5 PolarHBondContact O-N 2.72Å; I3-D5 PolarHBondContact O-N 3.24Å
6V78.1Confident80Confident46 Ų4659 Ų5928%0.27935%0.354SS..THydrogen-bonded Turntrans-107.9-39.4-176.2-177.40000110.8I3 T4 M39 Q43 V47I3-V6 PolarHBondContact O-N 2.99Å; T4-V6 VanDerWaalsContact C-N 3.26Å; V6-M39 HydrophobicContact CG1-CE 3.49Å; V6-M39 VanDerWaalsContact CG1-CE 3.49Å; V6-M39 HydrophobicContact CG1-SD 3.62Å; V6-M39 WeakPolarHBondContact O-CE 3.49Å; V6-Q43 HydrophobicContact CG1-CB 4.11Å; V6-Q43 HydrophobicContact CG1-CG 4.42Å; V6-V47 HydrophobicContact CB-CG2 4.33Å; V6-V47 HydrophobicContact CG1-CG2 3.84Å
7L81.4Confident80.4Confident10 Ų1062.7 Ų62.75%0.05237%0.366CS..SBendtrans-115.7151-178-59.5174.6000111.5I3 T4 I12 L36 M39 F71I3-L7 HydrophobicContact CD1-CD1 4.25Å; I3-L7 HydrophobicContact CG1-CD1 3.94Å; I3-L7 HydrophobicContact CG1-CG 4.43Å; I3-L7 PolarHBondContact O-N 3.32Å; T4-L7 CarbonylContact C-O 3.57Å; T4-L7 VanDerWaalsContact CA-O 3.24Å; T4-L7 WeakPolarHBondContact CA-O 3.25Å; T4-L7 VanDerWaalsContact O-O 3.09Å; L7-I12 HydrophobicContact CB-CD1 3.83Å; L7-I12 HydrophobicContact CB-CG1 4.04Å; L7-I12 HydrophobicContact CD1-CD1 4.41Å; L7-I12 HydrophobicContact CD1-CG1 4.32Å; L7-L36 HydrophobicContact CD1-CD1 3.81Å; L7-L36 HydrophobicContact CD1-CD2 4.37Å; L7-L36 HydrophobicContact CD1-CG 3.78Å; L7-L36 HydrophobicContact CD2-CD2 4.28Å; L7-L36 HydrophobicContact CD2-CG 3.86Å; L7-L36 HydrophobicContact CG-CG 4.42Å; L7-M39 HydrophobicContact CD2-CE 4.14Å; L7-M39 HydrophobicContact CD2-CG 4.46Å; L7-M39 HydrophobicContact CD2-SD 3.41Å; L7-M39 WeakPolarHBondContact CD2-SD 3.42Å; L7-M39 HydrophobicContact CG-SD 4.46Å; L7-F71 HydrophobicContact CD1-CD1 4.04Å; L7-F71 HydrophobicContact CD1-CE1 3.67Å
8S85.8Confident80.5Confident52 Ų5265.2 Ų65.236%0.36437%0.374SS..  trans-70.3136.6173.7-174.50000110.5D10 D11 I12S8-D10 PolarHBondContact O-N 3.1Å; S8-D10 PolarHBondContact OG-N 3.25Å; S8-D11 VanDerWaalsContact CB-OD2 3.27Å; S8-D11 WeakPolarHBondContact CB-OD2 3.38Å; S8-D11 PolarHBondContact O-N 2.99Å; S8-I12 WeakPolarHBondContact O-CG1 3.19Å; S8-I12 PolarHBondContact O-N 3.32Å
9A84.4Confident80.4Confident59 Ų5961.9 Ų61.949%0.48836%0.355SS..Hα-helixtrans-59.4-33.7173.300000111.9T4 A13T4-A9 HydrophobicContact CG2-CB 4.48Å; A9-A13 VanDerWaalsContact O-CB 3.31Å; A9-A13 WeakPolarHBondContact O-CB 3.47Å; A9-A13 PolarHBondContact O-N 3.27Å
10D87.3Confident80.1Confident127 Ų12764.8 Ų64.868%0.67937%0.365SS*.Hα-helixtrans-68.3-40.3177.5-66.5-32.9000111.8S8 A13 A14S8-D10 PolarHBondContact O-N 3.1Å; S8-D10 PolarHBondContact OG-N 3.25Å; D10-A13 PolarHBondContact O-N 3.05Å; D10-A14 WeakPolarHBondContact O-CB 3.42Å; D10-A14 PolarHBondContact O-N 3.43Å
11D89.1Confident80.2Confident71 Ų7166.8 Ų66.838%0.3838%0.375SS..Hα-helixtrans-69.6-39.8179.2-66.1-27.5000110.9S8 A14 A15S8-D11 VanDerWaalsContact CB-OD2 3.27Å; S8-D11 WeakPolarHBondContact CB-OD2 3.38Å; S8-D11 PolarHBondContact O-N 2.99Å; D11-A14 PolarHBondContact O-N 2.99Å; D11-A15 WeakPolarHBondContact O-CB 3.34Å; D11-A15 PolarHBondContact O-N 3.22Å
12I85.9Confident81.3Confident2 Ų261.1 Ų61.11%0.0135%0.354CS..Hα-helixtrans-60.3-48.6172-70.9167.9000110.4I3 T4 L7 S8 A14 A15 L16 F71 Q72I3-I12 HydrophobicContact CG2-CD1 3.87Å; T4-I12 HydrophobicContact CG2-CD1 4.31Å; L7-I12 HydrophobicContact CB-CD1 3.83Å; L7-I12 HydrophobicContact CB-CG1 4.04Å; L7-I12 HydrophobicContact CD1-CD1 4.41Å; L7-I12 HydrophobicContact CD1-CG1 4.32Å; S8-I12 WeakPolarHBondContact O-CG1 3.19Å; S8-I12 PolarHBondContact O-N 3.32Å; I12-A14 VanDerWaalsContact C-N 3.31Å; I12-A14 PolarHBondContact O-N 3.32Å; I12-A15 PolarHBondContact O-N 2.91Å; I12-L16 HydrophobicContact CG2-CD1 3.66Å; I12-L16 HydrophobicContact CG2-CG 4.33Å; I12-L16 WeakPolarHBondContact O-CB 3.37Å; I12-L16 WeakPolarHBondContact O-CG 3.3Å; I12-L16 PolarHBondContact O-N 3.44Å; I12-F71 HydrophobicContact CD1-CD1 4.27Å; I12-F71 HydrophobicContact CG1-CD1 4.16Å; I12-F71 HydrophobicContact CG2-CB 3.68Å; I12-Q72 HydrophobicContact CG2-CG 4.01Å
13A87.3Confident81.9Confident41 Ų4163 Ų6334%0.33936%0.359SS..Hα-helixtrans-62-40.3-179.900000111.3A9 D10 L16 Q17A9-A13 VanDerWaalsContact O-CB 3.31Å; A9-A13 WeakPolarHBondContact O-CB 3.47Å; A9-A13 PolarHBondContact O-N 3.27Å; D10-A13 PolarHBondContact O-N 3.05Å; A13-L16 PolarHBondContact O-N 3.16Å; A13-Q17 VanDerWaalsContact O-CB 3.23Å; A13-Q17 WeakPolarHBondContact O-CB 3.36Å; A13-Q17 PolarHBondContact O-N 2.85Å
14A89.1Confident82.2Confident44 Ų4465.5 Ų65.536%0.36437%0.374SS..Hα-helixtrans-62.5-45.5174.500000112D10 D11 I12 L16 Q17 E18 T33D10-A14 WeakPolarHBondContact O-CB 3.42Å; D10-A14 PolarHBondContact O-N 3.43Å; D11-A14 PolarHBondContact O-N 2.99Å; I12-A14 VanDerWaalsContact C-N 3.31Å; I12-A14 PolarHBondContact O-N 3.32Å; A14-L16 PolarHBondContact O-N 3.39Å; A14-Q17 WeakPolarHBondContact O-CB 3.41Å; A14-Q17 PolarHBondContact O-N 3.21Å; A14-E18 PolarHBondContact O-N 3.42Å; A14-T33 HydrophobicContact CB-CG2 3.9Å
15A88.6Confident82.7Confident0 Ų062.8 Ų62.80%036%0.356CS..Hα-helixtrans-64.8-39.2179.200000112.4D11 I12 E18 C19 F30 T33D11-A15 WeakPolarHBondContact O-CB 3.34Å; D11-A15 PolarHBondContact O-N 3.22Å; I12-A15 PolarHBondContact O-N 2.91Å; A15-E18 PolarHBondContact O-N 2.82Å; A15-C19 PolarHBondContact O-N 2.89Å; A15-C19 PolarHBondContact O-SG 3.49Å; A15-C19 VanDerWaalsContact O-SG 3.41Å; A15-F30 HydrophobicContact CB-CD2 3.53Å; A15-F30 HydrophobicContact CB-CE2 3.55Å; A15-F30 HydrophobicContact CB-CG 4.18Å; A15-F30 HydrophobicContact CB-CZ 4.22Å; A15-T33 HydrophobicContact CB-CG2 3.91Å
16L85.3Confident83.1Confident20 Ų2061 Ų6111%0.10534%0.344CS..Hα-helixtrans-68.3-36.7174.8-72.9170.1000112.3I12 A13 A14 E18 C19 Q20 F30 L68 Q72 A75I12-L16 HydrophobicContact CG2-CD1 3.66Å; I12-L16 HydrophobicContact CG2-CG 4.33Å; I12-L16 WeakPolarHBondContact O-CB 3.37Å; I12-L16 WeakPolarHBondContact O-CG 3.3Å; I12-L16 PolarHBondContact O-N 3.44Å; A13-L16 PolarHBondContact O-N 3.16Å; A14-L16 PolarHBondContact O-N 3.39Å; L16-E18 VanDerWaalsContact C-N 3.34Å; L16-C19 CarbonylContact O-C 3.52Å; L16-C19 PolarHBondContact O-N 3.25Å; L16-Q20 PolarHBondContact O-N 2.81Å; L16-Q20 VanDerWaalsContact O-N 3.17Å; L16-F30 HydrophobicContact CD2-CE2 3.99Å; L16-F30 HydrophobicContact CG-CE2 4.13Å; L16-L68 HydrophobicContact CD2-CB 3.86Å; L16-L68 HydrophobicContact CD2-CD1 4.24Å; L16-L68 HydrophobicContact CD2-CD2 3.57Å; L16-L68 HydrophobicContact CD2-CG 4.09Å; L16-Q72 HydrophobicContact CD1-CB 3.61Å; L16-Q72 HydrophobicContact CD1-CG 3.6Å; L16-A75 HydrophobicContact CD1-CB 4.2Å; L16-A75 HydrophobicContact CD2-CB 3.83Å
17Q85.9Confident83.3Confident122 Ų12259.6 Ų59.657%0.5734%0.336SS*.Hα-helixtrans-66.1-36.3176.7-170.270-6.100112A13 A14 C19 Q20A13-Q17 VanDerWaalsContact O-CB 3.23Å; A13-Q17 WeakPolarHBondContact O-CB 3.36Å; A13-Q17 PolarHBondContact O-N 2.85Å; A14-Q17 WeakPolarHBondContact O-CB 3.41Å; A14-Q17 PolarHBondContact O-N 3.21Å; Q17-C19 VanDerWaalsContact C-N 3.26Å; Q17-C19 PolarHBondContact O-N 3Å; Q17-Q20 VanDerWaalsContact O-CB 3.29Å; Q17-Q20 WeakPolarHBondContact O-CB 3.31Å; Q17-Q20 PolarHBondContact O-N 3.04Å
18E82.2Confident83.4Confident107 Ų10764.4 Ų64.450%0.536%0.358SS..Hα-helixtrans-64.9-31.9174.4-74.3-173.6160.100112.5A14 A15 L16 T33A14-E18 PolarHBondContact O-N 3.42Å; A15-E18 PolarHBondContact O-N 2.82Å; L16-E18 VanDerWaalsContact C-N 3.34Å; E18-T33 PolarHBondContact OE2-OG1 2.86Å
19C79.1Confident83.4Confident3 Ų366.8 Ų66.82%0.0236%0.362CS..THydrogen-bonded Turntrans-99.220179.9-52.50000112.6A15 L16 Q17 D21 F25 R76A15-C19 PolarHBondContact O-N 2.89Å; A15-C19 PolarHBondContact O-SG 3.49Å; A15-C19 VanDerWaalsContact O-SG 3.41Å; L16-C19 CarbonylContact O-C 3.52Å; L16-C19 PolarHBondContact O-N 3.25Å; Q17-C19 VanDerWaalsContact C-N 3.26Å; Q17-C19 PolarHBondContact O-N 3Å; C19-D21 VanDerWaalsContact C-N 3.27Å; C19-D21 PolarHBondContact O-N 3.03Å; C19-F25 HydrophobicContact CB-CB 4.22Å; C19-F25 HydrophobicContact CB-CD2 3.73Å; C19-F25 HydrophobicContact CB-CG 4.47Å; C19-F25 VanDerWaalsContact SG-CD2 3.57Å; C19-R76 VanDerWaalsContact O-CZ 3.31Å; C19-R76 PolarHBondContact O-NE 3.3Å; C19-R76 PolarHBondContact O-NH2 3.36Å
20Q75.8Confident83.5Confident119 Ų11964 Ų6456%0.55634%0.339SS*.  trans-65.2-32.7-176.5-173.1175.613.100112.3L16 Q17L16-Q20 PolarHBondContact O-N 2.81Å; L16-Q20 VanDerWaalsContact O-N 3.17Å; Q17-Q20 VanDerWaalsContact O-CB 3.29Å; Q17-Q20 WeakPolarHBondContact O-CB 3.31Å; Q17-Q20 PolarHBondContact O-N 3.04Å
21D81.3Confident83.5Confident108 Ų10858 Ų5858%0.57831%0.307SS*.SBendtrans-78.2145.7177-70.6-49.8000111.6C19 T24 R76C19-D21 VanDerWaalsContact C-N 3.27Å; C19-D21 PolarHBondContact O-N 3.03Å; D21-T24 HydrophobicContact CB-CG2 3.64Å; D21-T24 PolarHBondContact O-OG1 3.11Å; D21-R76 PolarHBondContact O-NH2 2.91Å
22P74.8Confident83.4Confident87 Ų8760.6 Ų60.657%0.56532%0.317SS*.THydrogen-bonded Turntrans-68.5141.9174.628.1-33000111.2T24P22-T24 PolarHBondContact O-N 2.77Å
23D76.5Confident83.5Confident106 Ų10662.3 Ų62.357%0.56733%0.327SS*.THydrogen-bonded Turntrans64.914.6-177.1-57.4-52.8000114.8T79 S81 E82D23-T79 PolarHBondContact OD1-OG1 2.98Å; D23-S81 WeakPolarHBondContact OD1-CB 3.39Å; D23-S81 PolarHBondContact OD1-OG 2.93Å; D23-E82 VanDerWaalsContact CA-OE1 3.25Å; D23-E82 WeakPolarHBondContact CA-OE1 3.48Å; D23-E82 PolarHBondContact N-OE1 3.44Å
24T80.4Confident83.4Confident58 Ų5860.4 Ų60.436%0.35631%0.312SS..  trans-104.3-1.6173.166.90000113.5D21 P22 E26 E82D21-T24 HydrophobicContact CB-CG2 3.64Å; D21-T24 PolarHBondContact O-OG1 3.11Å; P22-T24 PolarHBondContact O-N 2.77Å; T24-E26 PolarHBondContact O-N 2.77Å; T24-E26 VanDerWaalsContact O-N 3.08Å; T24-E82 PolarHBondContact N-OE1 3.2Å
25F82.3Confident83.3Confident12 Ų1259.2 Ų59.25%0.05330%0.304CS..  trans-65.3111.8177.7179.9-99.2000110.9C19 P27 F30 F67 L68 L78 E82 L86C19-F25 HydrophobicContact CB-CB 4.22Å; C19-F25 HydrophobicContact CB-CD2 3.73Å; C19-F25 HydrophobicContact CB-CG 4.47Å; C19-F25 VanDerWaalsContact SG-CD2 3.57Å; F25-P27 HydrophobicContact CD1-CG 4.49Å; F25-P27 HydrophobicContact CE1-CB 4.45Å; F25-P27 HydrophobicContact CE1-CG 3.99Å; F25-F30 HydrophobicContact CE2-CB 4Å; F25-F30 AromaticContact CE2-CD2 3.91Å; F25-F30 HydrophobicContact CE2-CD2 3.91Å; F25-F30 AromaticContact CE2-CG 3.91Å; F25-F30 HydrophobicContact CE2-CG 3.91Å; F25-F30 HydrophobicContact CZ-CB 4.42Å; F25-F30 HydrophobicContact CZ-CG 4.45Å; F25-F67 HydrophobicContact CZ-CD1 4.06Å; F25-F67 HydrophobicContact CZ-CE1 4.03Å; F25-L68 HydrophobicContact CD2-CD1 4.48Å; F25-L68 HydrophobicContact CD2-CD2 3.92Å; F25-L68 HydrophobicContact CE2-CD2 3.45Å; F25-L68 VanDerWaalsContact CE2-CD2 3.45Å; F25-L68 HydrophobicContact CE2-CG 4.38Å; F25-L68 HydrophobicContact CZ-CD2 4.29Å; F25-L78 HydrophobicContact CB-CD2 3.82Å; F25-L78 HydrophobicContact CD1-CD1 3.93Å; F25-L78 HydrophobicContact CD1-CD2 3.66Å; F25-L78 HydrophobicContact CD1-CG 4.49Å; F25-L78 HydrophobicContact CD2-CD2 3.73Å; F25-L78 HydrophobicContact CE1-CD1 3.75Å; F25-L78 HydrophobicContact CE1-CD2 4.14Å; F25-L78 HydrophobicContact CE2-CD2 4.23Å; F25-L78 HydrophobicContact CG-CD2 3.43Å; F25-L78 VanDerWaalsContact CG-CD2 3.43Å; F25-L78 HydrophobicContact CZ-CD1 4.21Å; F25-L78 HydrophobicContact CZ-CD2 4.41Å; F25-E82 HydrophobicContact CB-CB 4.31Å; F25-E82 HydrophobicContact CB-CG 3.98Å; F25-E82 WeakPolarHBondContact CB-OE1 2.96Å; F25-E82 HydrophobicContact CD1-CB 4.49Å; F25-E82 PolarHBondContact N-OE1 2.93Å; F25-L86 HydrophobicContact CE1-CB 4.36Å; F25-L86 HydrophobicContact CE1-CD1 4.18Å; F25-L86 HydrophobicContact CE1-CD2 4.07Å; F25-L86 HydrophobicContact CE1-CG 4.45Å
26E83.9Confident83.1Confident87 Ų8759.2 Ų59.241%0.40730%0.304SS..  trans-111.7114.4173.8-77.8-177.1-141.600109.5T24 Q28 K29 F30T24-E26 PolarHBondContact O-N 2.77Å; T24-E26 VanDerWaalsContact O-N 3.08Å; E26-Q28 PolarHBondContact O-N 3.31Å; E26-K29 HydrophobicContact CB-CB 4.05Å; E26-K29 HydrophobicContact CB-CD 4.22Å; E26-K29 HydrophobicContact CB-CG 4.23Å; E26-K29 PolarHBondContact O-N 3.48Å; E26-K29 IonicContact OE1-NZ 3.5Å; E26-K29 PolarHBondContact OE1-NZ 2.85Å; E26-K29 WeakPolarHBondContact OE2-CD 3.27Å; E26-K29 WeakPolarHBondContact OE2-CE 3.33Å; E26-K29 WeakPolarHBondContact OE2-CG 3.42Å; E26-K29 IonicContact OE2-NZ 2.78Å; E26-K29 PolarHBondContact OE2-NZ 2.83Å; E26-F30 WeakPolarHBondContact O-CB 3.36Å; E26-F30 PolarHBondContact O-N 3.39Å
27P82.8Confident83.1Confident17 Ų1759.8 Ų59.811%0.1131%0.309CS..Hα-helixtrans-55.8-48.4-176.3-23.730.9000112.6F25 K29 F30 F31 L86 M106F25-P27 HydrophobicContact CD1-CG 4.49Å; F25-P27 HydrophobicContact CE1-CB 4.45Å; F25-P27 HydrophobicContact CE1-CG 3.99Å; P27-K29 PolarHBondContact O-N 3Å; P27-F30 WeakPolarHBondContact O-CB 3.34Å; P27-F30 PolarHBondContact O-N 3.36Å; P27-F31 HydrophobicContact CB-CD2 4.43Å; P27-F31 HydrophobicContact CB-CE2 3.91Å; P27-F31 WeakPolarHBondContact O-CD2 3.44Å; P27-F31 WeakPolarHBondContact O-CE2 3Å; P27-F31 WeakPolarHBondContact O-CG 3.13Å; P27-F31 PolarHBondContact O-N 2.99Å; P27-L86 HydrophobicContact CB-CD1 3.42Å; P27-L86 VanDerWaalsContact CB-CD1 3.42Å; P27-L86 HydrophobicContact CG-CB 4.04Å; P27-L86 HydrophobicContact CG-CD1 3.31Å; P27-L86 HydrophobicContact CG-CG 4.25Å; P27-M106 HydrophobicContact CB-SD 3.96Å
28Q83Confident83.1Confident111 Ų11162.4 Ų62.452%0.51932%0.319SS..Hα-helixtrans-60.8-45.5-178-68.8-178.3-4.700112.3E26 F31 Q32E26-Q28 PolarHBondContact O-N 3.31Å; Q28-F31 PolarHBondContact O-N 2.97Å; Q28-Q32 WeakPolarHBondContact O-CB 3Å; Q28-Q32 PolarHBondContact O-N 3.08Å
29K85.9Confident83.3Confident101 Ų10158.7 Ų58.744%0.43930%0.301SS..Hα-helixtrans-64.5-43.7175.9-74.6-175.3-176.4146.10111E26 P27 F31 Q32 T33E26-K29 HydrophobicContact CB-CB 4.05Å; E26-K29 HydrophobicContact CB-CD 4.22Å; E26-K29 HydrophobicContact CB-CG 4.23Å; E26-K29 PolarHBondContact O-N 3.48Å; E26-K29 IonicContact OE1-NZ 3.5Å; E26-K29 PolarHBondContact OE1-NZ 2.85Å; E26-K29 WeakPolarHBondContact OE2-CD 3.27Å; E26-K29 WeakPolarHBondContact OE2-CE 3.33Å; E26-K29 WeakPolarHBondContact OE2-CG 3.42Å; E26-K29 IonicContact OE2-NZ 2.78Å; E26-K29 PolarHBondContact OE2-NZ 2.83Å; P27-K29 PolarHBondContact O-N 3Å; K29-F31 VanDerWaalsContact C-N 3.33Å; K29-F31 PolarHBondContact O-N 2.79Å; K29-Q32 PolarHBondContact O-N 2.85Å; K29-Q32 VanDerWaalsContact O-N 3.08Å; K29-T33 WeakPolarHBondContact O-CB 3.5Å; K29-T33 PolarHBondContact O-N 3.17Å; K29-T33 PolarHBondContact O-OG1 2.92Å; K29-T33 VanDerWaalsContact O-OG1 3.12Å
30F87.9Confident83.8Confident0 Ų060.9 Ų60.90%032%0.317CS..Hα-helixtrans-56.8-46.4176.9-177.2-88.9000111.6A15 L16 F25 E26 P27 Q32 T33 S34 F67 L68 F71A15-F30 HydrophobicContact CB-CD2 3.53Å; A15-F30 HydrophobicContact CB-CE2 3.55Å; A15-F30 HydrophobicContact CB-CG 4.18Å; A15-F30 HydrophobicContact CB-CZ 4.22Å; L16-F30 HydrophobicContact CD2-CE2 3.99Å; L16-F30 HydrophobicContact CG-CE2 4.13Å; F25-F30 HydrophobicContact CE2-CB 4Å; F25-F30 AromaticContact CE2-CD2 3.91Å; F25-F30 HydrophobicContact CE2-CD2 3.91Å; F25-F30 AromaticContact CE2-CG 3.91Å; F25-F30 HydrophobicContact CE2-CG 3.91Å; F25-F30 HydrophobicContact CZ-CB 4.42Å; F25-F30 HydrophobicContact CZ-CG 4.45Å; E26-F30 WeakPolarHBondContact O-CB 3.36Å; E26-F30 PolarHBondContact O-N 3.39Å; P27-F30 WeakPolarHBondContact O-CB 3.34Å; P27-F30 PolarHBondContact O-N 3.36Å; F30-Q32 VanDerWaalsContact C-N 3.31Å; F30-Q32 PolarHBondContact O-N 3.33Å; F30-T33 PolarHBondContact O-N 2.76Å; F30-S34 WeakPolarHBondContact O-CB 3.28Å; F30-S34 PolarHBondContact O-N 3.03Å; F30-S34 PolarHBondContact O-OG 3.32Å; F30-F67 AromaticContact CD1-CE1 3.93Å; F30-F67 HydrophobicContact CD1-CE1 3.93Å; F30-F67 HydrophobicContact CD1-CZ 4.41Å; F30-F67 AromaticContact CE1-CE1 3.7Å; F30-F67 HydrophobicContact CE1-CE1 3.7Å; F30-F67 HydrophobicContact CE1-CZ 4.19Å; F30-F67 HydrophobicContact CZ-CE1 4.34Å; F30-L68 HydrophobicContact CD2-CD2 4.28Å; F30-L68 HydrophobicContact CE2-CD2 3.85Å; F30-L68 HydrophobicContact CZ-CD2 4.25Å; F30-F71 HydrophobicContact CE1-CD1 4.32Å; F30-F71 HydrophobicContact CE1-CD2 4.16Å; F30-F71 HydrophobicContact CE1-CE1 4.03Å; F30-F71 AromaticContact CE1-CE2 3.93Å; F30-F71 HydrophobicContact CE1-CE2 3.93Å; F30-F71 HydrophobicContact CE1-CG 4.38Å; F30-F71 AromaticContact CE1-CZ 3.85Å; F30-F71 HydrophobicContact CE1-CZ 3.85Å; F30-F71 HydrophobicContact CZ-CD1 4.21Å; F30-F71 AromaticContact CZ-CD2 3.95Å; F30-F71 HydrophobicContact CZ-CD2 3.95Å; F30-F71 HydrophobicContact CZ-CE1 4.38Å; F30-F71 HydrophobicContact CZ-CE2 4.2Å; F30-F71 AromaticContact CZ-CG 3.98Å; F30-F71 HydrophobicContact CZ-CG 3.98Å; F30-F71 HydrophobicContact CZ-CZ 4.4Å
31F86.9Confident84.3Confident1 Ų157.4 Ų57.40%0.00431%0.308CS..Hα-helixtrans-66-32.9176.6-63-52.2000113.4P27 Q28 K29 S34 G35 L36 S37 F67 F103 M106 V107P27-F31 HydrophobicContact CB-CD2 4.43Å; P27-F31 HydrophobicContact CB-CE2 3.91Å; P27-F31 WeakPolarHBondContact O-CD2 3.44Å; P27-F31 WeakPolarHBondContact O-CE2 3Å; P27-F31 WeakPolarHBondContact O-CG 3.13Å; P27-F31 PolarHBondContact O-N 2.99Å; Q28-F31 PolarHBondContact O-N 2.97Å; K29-F31 VanDerWaalsContact C-N 3.33Å; K29-F31 PolarHBondContact O-N 2.79Å; F31-S34 WeakPolarHBondContact CA-OG 3.3Å; F31-S34 PolarHBondContact O-OG 2.81Å; F31-G35 CarbonylContact O-C 3.58Å; F31-G35 PolarHBondContact O-N 2.89Å; F31-L36 HydrophobicContact CB-CB 4.15Å; F31-L36 HydrophobicContact CD1-CB 3.9Å; F31-L36 HydrophobicContact CD1-CD1 3.56Å; F31-L36 HydrophobicContact CD1-CG 4.33Å; F31-L36 HydrophobicContact CE1-CD1 3.91Å; F31-L36 HydrophobicContact CG-CB 4.48Å; F31-L36 PolarHBondContact O-N 3.17Å; F31-S37 PolarHBondContact O-N 3.05Å; F31-F67 HydrophobicContact CE1-CE2 4.46Å; F31-F67 AromaticContact CE1-CZ 3.66Å; F31-F67 HydrophobicContact CE1-CZ 3.66Å; F31-F67 HydrophobicContact CZ-CE2 4.43Å; F31-F67 AromaticContact CZ-CZ 3.8Å; F31-F67 HydrophobicContact CZ-CZ 3.8Å; F31-F103 AromaticContact CE1-CE2 3.95Å; F31-F103 HydrophobicContact CE1-CE2 3.95Å; F31-F103 AromaticContact CE1-CZ 3.79Å; F31-F103 HydrophobicContact CE1-CZ 3.79Å; F31-F103 AromaticContact CZ-CE2 3.73Å; F31-F103 HydrophobicContact CZ-CE2 3.73Å; F31-F103 HydrophobicContact CZ-CZ 4.06Å; F31-M106 HydrophobicContact CD2-CE 4.49Å; F31-M106 HydrophobicContact CD2-CG 4.28Å; F31-M106 HydrophobicContact CE2-CE 3.35Å; F31-M106 HydrophobicContact CE2-CG 3.83Å; F31-M106 HydrophobicContact CE2-SD 3.59Å; F31-M106 VanDerWaalsContact CE2-SD 3.59Å; F31-M106 HydrophobicContact CZ-CE 3.47Å; F31-M106 VanDerWaalsContact CZ-CE 3.47Å; F31-M106 HydrophobicContact CZ-SD 4.27Å; F31-V107 HydrophobicContact CD1-CG2 3.79Å; F31-V107 HydrophobicContact CD2-CG2 4.01Å; F31-V107 HydrophobicContact CE1-CG2 3.89Å; F31-V107 HydrophobicContact CE2-CG2 4.19Å; F31-V107 HydrophobicContact CG-CG2 3.85Å; F31-V107 HydrophobicContact CZ-CG2 4.12Å
32Q87.3Confident84.5Confident127 Ų12755.8 Ų55.859%0.59331%0.306SS*.Hα-helixtrans-71.9-43.6176.6-169.5171.359.700112.6Q28 K29 F30 G35 S37Q28-Q32 WeakPolarHBondContact O-CB 3Å; Q28-Q32 PolarHBondContact O-N 3.08Å; K29-Q32 PolarHBondContact O-N 2.85Å; K29-Q32 VanDerWaalsContact O-N 3.08Å; F30-Q32 VanDerWaalsContact C-N 3.31Å; F30-Q32 PolarHBondContact O-N 3.33Å; Q32-G35 PolarHBondContact O-N 3.33Å; Q32-S37 WeakPolarHBondContact CA-OG 3.4Å
33T87.8Confident85.1Confident38 Ų3855 Ų5523%0.23330%0.295CS..Hα-helixtrans-72.8-43179.6-57.50000111.3A14 A15 E18 K29 F30 G35A14-T33 HydrophobicContact CB-CG2 3.9Å; A15-T33 HydrophobicContact CB-CG2 3.91Å; E18-T33 PolarHBondContact OE2-OG1 2.86Å; K29-T33 WeakPolarHBondContact O-CB 3.5Å; K29-T33 PolarHBondContact O-N 3.17Å; K29-T33 PolarHBondContact O-OG1 2.92Å; K29-T33 VanDerWaalsContact O-OG1 3.12Å; F30-T33 PolarHBondContact O-N 2.76Å; T33-G35 PolarHBondContact O-N 2.68Å
34S85.6Confident85.7Confident1 Ų150 Ų501%0.00727%0.268CS..SBendtrans-67.9-14.2175.561.40000113.5F30 F31 L36F30-S34 WeakPolarHBondContact O-CB 3.28Å; F30-S34 PolarHBondContact O-N 3.03Å; F30-S34 PolarHBondContact O-OG 3.32Å; F31-S34 WeakPolarHBondContact CA-OG 3.3Å; F31-S34 PolarHBondContact O-OG 2.81Å; S34-L36 VanDerWaalsContact C-N 3.32Å
35G85.4Confident86Confident19 Ų1951.2 Ų51.220%0.19627%0.268CS..SBendtrans85.5-1.6-179.800000114.6F31 Q32 T33 S37 K38 M39F31-G35 CarbonylContact O-C 3.58Å; F31-G35 PolarHBondContact O-N 2.89Å; Q32-G35 PolarHBondContact O-N 3.33Å; T33-G35 PolarHBondContact O-N 2.68Å; G35-S37 VanDerWaalsContact C-N 3.25Å; G35-S37 PolarHBondContact O-N 2.72Å; G35-K38 PolarHBondContact O-N 3.5Å; G35-K38 VanDerWaalsContact O-N 3.13Å; G35-M39 WeakPolarHBondContact O-CG 3.31Å
36L85.2Confident86.3Confident0 Ų054.6 Ų54.60%029%0.287CS..G310 helixtrans-53.6-40.1175.9-94.4162.9000112.8L7 F31 S34 K38 M39 V44 V47 F71 V107L7-L36 HydrophobicContact CD1-CD1 3.81Å; L7-L36 HydrophobicContact CD1-CD2 4.37Å; L7-L36 HydrophobicContact CD1-CG 3.78Å; L7-L36 HydrophobicContact CD2-CD2 4.28Å; L7-L36 HydrophobicContact CD2-CG 3.86Å; L7-L36 HydrophobicContact CG-CG 4.42Å; F31-L36 HydrophobicContact CB-CB 4.15Å; F31-L36 HydrophobicContact CD1-CB 3.9Å; F31-L36 HydrophobicContact CD1-CD1 3.56Å; F31-L36 HydrophobicContact CD1-CG 4.33Å; F31-L36 HydrophobicContact CE1-CD1 3.91Å; F31-L36 HydrophobicContact CG-CB 4.48Å; F31-L36 PolarHBondContact O-N 3.17Å; S34-L36 VanDerWaalsContact C-N 3.32Å; L36-K38 PolarHBondContact O-N 2.87Å; L36-K38 VanDerWaalsContact O-N 3.15Å; L36-M39 HydrophobicContact CD2-SD 4.15Å; L36-M39 VanDerWaalsContact O-CB 3.3Å; L36-M39 WeakPolarHBondContact O-CB 3.32Å; L36-M39 WeakPolarHBondContact O-CG 3.31Å; L36-M39 PolarHBondContact O-N 2.83Å; L36-V44 HydrophobicContact CD2-CG2 4.47Å; L36-V47 HydrophobicContact CD1-CG1 4.09Å; L36-V47 HydrophobicContact CD2-CB 3.97Å; L36-V47 HydrophobicContact CD2-CG1 3.86Å; L36-V47 HydrophobicContact CD2-CG2 3.75Å; L36-F71 HydrophobicContact CD1-CE1 3.84Å; L36-F71 HydrophobicContact CD1-CZ 4Å; L36-V107 HydrophobicContact CB-CG1 4.02Å; L36-V107 WeakPolarHBondContact O-CG1 3.28Å
37S86Confident86.4Confident31 Ų3150.5 Ų50.522%0.21727%0.268CS..G310 helixtrans-64.6-20.7-178.1680000114.5F31 Q32 G35 V107 H108F31-S37 PolarHBondContact O-N 3.05Å; Q32-S37 WeakPolarHBondContact CA-OG 3.4Å; G35-S37 VanDerWaalsContact C-N 3.25Å; G35-S37 PolarHBondContact O-N 2.72Å; S37-V107 VanDerWaalsContact CA-O 3.24Å; S37-V107 WeakPolarHBondContact CA-O 3.34Å; S37-V107 WeakPolarHBondContact CB-O 3.41Å; S37-H108 PolarHBondContact O-ND1 3.28Å
38K85.7Confident86.7Confident178 Ų17849.9 Ų49.977%0.77426%0.263SS*.G310 helixtrans-95-2.2178.2-63.3175.2-175163.30112.7G35 L36G35-K38 PolarHBondContact O-N 3.5Å; G35-K38 VanDerWaalsContact O-N 3.13Å; L36-K38 PolarHBondContact O-N 2.87Å; L36-K38 VanDerWaalsContact O-N 3.15Å
39M85.9Confident86.8Confident28 Ų2851.8 Ų51.814%0.13827%0.266CS..SBendtrans-80.2167.8-177.5-60-155.910400112.1V6 L7 G35 L36 Q43 V44 H108V6-M39 HydrophobicContact CG1-CE 3.49Å; V6-M39 VanDerWaalsContact CG1-CE 3.49Å; V6-M39 HydrophobicContact CG1-SD 3.62Å; V6-M39 WeakPolarHBondContact O-CE 3.49Å; L7-M39 HydrophobicContact CD2-CE 4.14Å; L7-M39 HydrophobicContact CD2-CG 4.46Å; L7-M39 HydrophobicContact CD2-SD 3.41Å; L7-M39 WeakPolarHBondContact CD2-SD 3.42Å; L7-M39 HydrophobicContact CG-SD 4.46Å; G35-M39 WeakPolarHBondContact O-CG 3.31Å; L36-M39 HydrophobicContact CD2-SD 4.15Å; L36-M39 VanDerWaalsContact O-CB 3.3Å; L36-M39 WeakPolarHBondContact O-CB 3.32Å; L36-M39 WeakPolarHBondContact O-CG 3.31Å; L36-M39 PolarHBondContact O-N 2.83Å; M39-Q43 HydrophobicContact CB-CB 3.95Å; M39-Q43 HydrophobicContact CE-CB 4.06Å; M39-Q43 VanDerWaalsContact CE-CD 3.48Å; M39-Q43 HydrophobicContact CE-CG 4.16Å; M39-Q43 VanDerWaalsContact CE-NE2 3.33Å; M39-Q43 HydrophobicContact SD-CB 3.92Å; M39-V44 HydrophobicContact CB-CG2 4.15Å; M39-H108 PolarHBondContact O-CE1 3.38Å
40S88.8Confident86.8Confident49 Ų4950.3 Ų50.334%0.34326%0.259SS..  trans-77.2153.2170.759.20000111.4S42 Q43 V44S40-S42 PolarHBondContact O-N 3.06Å; S40-S42 PolarHBondContact OG-OG 3.28Å; S40-Q43 WeakPolarHBondContact O-CB 3.26Å; S40-Q43 PolarHBondContact O-N 3.42Å; S40-Q43 WeakPolarHBondContact OG-CG 3.11Å; S40-Q43 PolarHBondContact OG-N 2.81Å; S40-Q43 PolarHBondContact OG-OE1 3.22Å; S40-V44 WeakPolarHBondContact O-CG2 3.18Å; S40-V44 PolarHBondContact O-N 2.87Å
41A86.3Confident86.7Confident46 Ų4650.3 Ų50.338%0.3826%0.259SS..Hα-helixtrans-48.8-37.1173.400000113.1V44 K45 Q104A41-V44 PolarHBondContact O-N 2.97Å; A41-K45 VanDerWaalsContact O-CB 3.3Å; A41-K45 WeakPolarHBondContact O-CB 3.26Å; A41-K45 PolarHBondContact O-N 3.13Å; A41-Q104 PolarHBondContact O-NE2 3.31Å
42S86.6Confident86.8Confident74 Ų7450.7 Ų50.752%0.51726%0.261SS..Hα-helixtrans-61.7-44.8174.135.50000113.4S40 K45 D46S40-S42 PolarHBondContact O-N 3.06Å; S40-S42 PolarHBondContact OG-OG 3.28Å; S42-K45 WeakPolarHBondContact O-CB 3.48Å; S42-K45 PolarHBondContact O-N 3.27Å; S42-D46 PolarHBondContact O-N 2.88Å
43Q87.4Confident86.5Confident71 Ų7150.3 Ų50.333%0.33226%0.264SS..Hα-helixtrans-70.1-39.2178.7-72.9167.3-52.500111.5V6 M39 S40 K45 D46 V47V6-Q43 HydrophobicContact CG1-CB 4.11Å; V6-Q43 HydrophobicContact CG1-CG 4.42Å; M39-Q43 HydrophobicContact CB-CB 3.95Å; M39-Q43 HydrophobicContact CE-CB 4.06Å; M39-Q43 VanDerWaalsContact CE-CD 3.48Å; M39-Q43 HydrophobicContact CE-CG 4.16Å; M39-Q43 VanDerWaalsContact CE-NE2 3.33Å; M39-Q43 HydrophobicContact SD-CB 3.92Å; S40-Q43 WeakPolarHBondContact O-CB 3.26Å; S40-Q43 PolarHBondContact O-N 3.42Å; S40-Q43 WeakPolarHBondContact OG-CG 3.11Å; S40-Q43 PolarHBondContact OG-N 2.81Å; S40-Q43 PolarHBondContact OG-OE1 3.22Å; Q43-K45 PolarHBondContact O-N 3.06Å; Q43-D46 PolarHBondContact O-N 2.96Å; Q43-V47 WeakPolarHBondContact O-CG2 3.06Å; Q43-V47 PolarHBondContact O-N 2.87Å
44V88.6Confident86.4Confident0 Ų053.1 Ų53.10%028%0.277CS..Hα-helixtrans-60.2-39.6173.2177.60000110.4L36 M39 S40 A41 V47 F48 F103 Q104 V107L36-V44 HydrophobicContact CD2-CG2 4.47Å; M39-V44 HydrophobicContact CB-CG2 4.15Å; S40-V44 WeakPolarHBondContact O-CG2 3.18Å; S40-V44 PolarHBondContact O-N 2.87Å; A41-V44 PolarHBondContact O-N 2.97Å; V44-V47 PolarHBondContact O-N 3.2Å; V44-F48 WeakPolarHBondContact O-CB 3.36Å; V44-F48 PolarHBondContact O-N 3.1Å; V44-F103 HydrophobicContact CG1-CD1 3.58Å; V44-F103 HydrophobicContact CG1-CE1 3.68Å; V44-Q104 HydrophobicContact CB-CG 4.19Å; V44-Q104 HydrophobicContact CG1-CB 4.49Å; V44-Q104 HydrophobicContact CG1-CG 3.69Å; V44-V107 HydrophobicContact CG1-CB 4.16Å; V44-V107 HydrophobicContact CG1-CG1 4.21Å; V44-V107 HydrophobicContact CG1-CG2 4.07Å; V44-V107 HydrophobicContact CG2-CG1 3.82Å
45K87.4Confident86.4Confident84 Ų8460.9 Ų60.937%0.36531%0.313SS..Hα-helixtrans-68.3-35.4175.8-170.3167.9-172.4154.70113A41 S42 Q43 F48 R49A41-K45 VanDerWaalsContact O-CB 3.3Å; A41-K45 WeakPolarHBondContact O-CB 3.26Å; A41-K45 PolarHBondContact O-N 3.13Å; S42-K45 WeakPolarHBondContact O-CB 3.48Å; S42-K45 PolarHBondContact O-N 3.27Å; Q43-K45 PolarHBondContact O-N 3.06Å; K45-F48 PolarHBondContact O-N 2.8Å; K45-R49 WeakPolarHBondContact O-CB 3.23Å; K45-R49 WeakPolarHBondContact O-CG 3.35Å; K45-R49 PolarHBondContact O-N 3.17Å
46D87.3Confident86.4Confident83 Ų8362.5 Ų62.544%0.44432%0.321SS..Hα-helixtrans-67-39.4173.8-69.9-28.6000111.2S42 Q43 R49 F50S42-D46 PolarHBondContact O-N 2.88Å; Q43-D46 PolarHBondContact O-N 2.96Å; D46-R49 PolarHBondContact O-N 3.47Å; D46-F50 WeakPolarHBondContact O-CB 3.44Å; D46-F50 PolarHBondContact O-N 2.86Å
47V86.6Confident86.5Confident1 Ų164 Ų641%0.00634%0.337CS..Hα-helixtrans-64.7-45.8172.8164.70000111.2I3 V6 L36 Q43 V44 R49 F50 I51 F71 F103I3-V47 HydrophobicContact CD1-CB 4.21Å; I3-V47 HydrophobicContact CD1-CG1 3.59Å; I3-V47 HydrophobicContact CD1-CG2 4.01Å; I3-V47 HydrophobicContact CG1-CG2 4.02Å; V6-V47 HydrophobicContact CB-CG2 4.33Å; V6-V47 HydrophobicContact CG1-CG2 3.84Å; L36-V47 HydrophobicContact CD1-CG1 4.09Å; L36-V47 HydrophobicContact CD2-CB 3.97Å; L36-V47 HydrophobicContact CD2-CG1 3.86Å; L36-V47 HydrophobicContact CD2-CG2 3.75Å; Q43-V47 WeakPolarHBondContact O-CG2 3.06Å; Q43-V47 PolarHBondContact O-N 2.87Å; V44-V47 PolarHBondContact O-N 3.2Å; V47-R49 VanDerWaalsContact C-N 3.32Å; V47-R49 PolarHBondContact O-N 3.07Å; V47-F50 WeakPolarHBondContact O-CA 3.25Å; V47-F50 VanDerWaalsContact O-CB 3.3Å; V47-F50 WeakPolarHBondContact O-CB 3.33Å; V47-F50 PolarHBondContact O-N 3.22Å; V47-I51 HydrophobicContact CG1-CD1 3.64Å; V47-I51 HydrophobicContact CG1-CG1 4.39Å; V47-I51 WeakPolarHBondContact O-CD1 3.28Å; V47-I51 WeakPolarHBondContact O-CG1 3.34Å; V47-I51 PolarHBondContact O-N 2.75Å; V47-F71 HydrophobicContact CG1-CZ 4.37Å; V47-F103 HydrophobicContact CG1-CE1 4.3Å; V47-F103 HydrophobicContact CG1-CZ 4.29Å
48F88.1Confident86.7Confident5 Ų567.7 Ų67.72%0.02235%0.347CS..Hα-helixtrans-54.1-49.5175.4178.6-90.9000111.2V44 K45 F50 I51 D52 G57 L59 I98 A100 F103V44-F48 WeakPolarHBondContact O-CB 3.36Å; V44-F48 PolarHBondContact O-N 3.1Å; K45-F48 PolarHBondContact O-N 2.8Å; F48-F50 PolarHBondContact O-N 2.81Å; F48-I51 PolarHBondContact O-N 2.97Å; F48-I51 VanDerWaalsContact O-N 3.13Å; F48-D52 HydrophobicContact CE1-CB 4.42Å; F48-D52 VanDerWaalsContact O-CB 3.28Å; F48-D52 WeakPolarHBondContact O-CB 3.4Å; F48-D52 PolarHBondContact O-N 3.37Å; F48-G57 WeakPolarHBondContact CE1-O 3.21Å; F48-G57 WeakPolarHBondContact CZ-O 3.33Å; F48-L59 HydrophobicContact CD2-CD1 3.86Å; F48-L59 HydrophobicContact CD2-CG 4.13Å; F48-L59 HydrophobicContact CE2-CD1 3.74Å; F48-L59 HydrophobicContact CE2-CD2 4.48Å; F48-L59 HydrophobicContact CE2-CG 3.59Å; F48-L59 HydrophobicContact CZ-CG 4.08Å; F48-I98 WeakPolarHBondContact CE2-O 3.26Å; F48-A100 HydrophobicContact CD1-CB 3.91Å; F48-A100 HydrophobicContact CE1-CB 3.86Å; F48-A100 HydrophobicContact CE2-CB 4.46Å; F48-A100 HydrophobicContact CG-CB 4.26Å; F48-A100 HydrophobicContact CZ-CB 4.14Å; F48-F103 HydrophobicContact CB-CD1 3.95Å; F48-F103 HydrophobicContact CB-CE1 4.23Å; F48-F103 HydrophobicContact CD2-CB 3.6Å; F48-F103 AromaticContact CD2-CD1 3.9Å; F48-F103 HydrophobicContact CD2-CD1 3.9Å; F48-F103 HydrophobicContact CD2-CD2 4.2Å; F48-F103 AromaticContact CD2-CG 3.64Å; F48-F103 HydrophobicContact CD2-CG 3.64Å; F48-F103 HydrophobicContact CE2-CB 3.98Å; F48-F103 HydrophobicContact CE2-CG 4.39Å; F48-F103 HydrophobicContact CG-CD1 4.41Å
49R87Confident86.9Confident151 Ų15159.2 Ų59.257%0.5731%0.31SS*.Hα-helixtrans-64.2-21.3176-75174.4169.7-177.2-4.5114.4K45 D46 V47K45-R49 WeakPolarHBondContact O-CB 3.23Å; K45-R49 WeakPolarHBondContact O-CG 3.35Å; K45-R49 PolarHBondContact O-N 3.17Å; D46-R49 PolarHBondContact O-N 3.47Å; V47-R49 VanDerWaalsContact C-N 3.32Å; V47-R49 PolarHBondContact O-N 3.07Å
50F85.3Confident87.1Confident70 Ų7060 Ų6031%0.30731%0.314SS..Hα-helixtrans-81.7-34.4176.1-173.6-95000111.5M1 I3 D46 V47 F48 K70M1-F50 WeakPolarHBondContact O-CE2 3.48Å; I3-F50 HydrophobicContact CB-CD1 3.72Å; I3-F50 HydrophobicContact CB-CE1 3.79Å; I3-F50 HydrophobicContact CB-CG 4.39Å; I3-F50 HydrophobicContact CD1-CD1 3.97Å; I3-F50 HydrophobicContact CG1-CD1 4.29Å; I3-F50 HydrophobicContact CG2-CE1 4.31Å; D46-F50 WeakPolarHBondContact O-CB 3.44Å; D46-F50 PolarHBondContact O-N 2.86Å; V47-F50 WeakPolarHBondContact O-CA 3.25Å; V47-F50 VanDerWaalsContact O-CB 3.3Å; V47-F50 WeakPolarHBondContact O-CB 3.33Å; V47-F50 PolarHBondContact O-N 3.22Å; F48-F50 PolarHBondContact O-N 2.81Å; F50-K70 WeakPolarHBondContact CE1-O 3.31Å
51I85.4Confident87.1Confident0 Ų062 Ų620%032%0.319CS..Hα-helixtrans-72.8-50.4175.7-60.8154.9000109.3V47 F48 N53 L59 F67 K70 F71 F103V47-I51 HydrophobicContact CG1-CD1 3.64Å; V47-I51 HydrophobicContact CG1-CG1 4.39Å; V47-I51 WeakPolarHBondContact O-CD1 3.28Å; V47-I51 WeakPolarHBondContact O-CG1 3.34Å; V47-I51 PolarHBondContact O-N 2.75Å; F48-I51 PolarHBondContact O-N 2.97Å; F48-I51 VanDerWaalsContact O-N 3.13Å; I51-N53 PolarHBondContact O-N 3.43Å; I51-L59 HydrophobicContact CB-CD1 4.45Å; I51-L59 HydrophobicContact CB-CD2 4.07Å; I51-L59 HydrophobicContact CG2-CD1 3.93Å; I51-L59 HydrophobicContact CG2-CD2 3.58Å; I51-L59 HydrophobicContact CG2-CG 4.41Å; I51-F67 HydrophobicContact CD1-CD2 4.07Å; I51-F67 HydrophobicContact CD1-CE2 3.51Å; I51-F67 HydrophobicContact CD1-CZ 4.39Å; I51-F67 HydrophobicContact CG1-CD2 4.42Å; I51-F67 HydrophobicContact CG1-CE2 4.29Å; I51-F67 HydrophobicContact CG2-CD2 3.86Å; I51-F67 HydrophobicContact CG2-CE2 4.4Å; I51-K70 HydrophobicContact CB-CG 4.46Å; I51-K70 HydrophobicContact CG1-CB 4.31Å; I51-K70 HydrophobicContact CG2-CG 4.18Å; I51-K70 WeakPolarHBondContact O-CE 3.31Å; I51-K70 PolarHBondContact O-NZ 3.25Å; I51-F71 HydrophobicContact CD1-CE2 4.36Å; I51-F71 HydrophobicContact CD1-CZ 4.16Å; I51-F71 HydrophobicContact CG1-CE2 4.47Å; I51-F103 HydrophobicContact CD1-CE2 4.19Å; I51-F103 HydrophobicContact CD1-CZ 3.81Å
52D88.4Confident87.1Confident8 Ų865.4 Ų65.44%0.04333%0.33CS..  trans-56101.3175.6177.42.4000109.8F48 Q55 S56 G57 L59F48-D52 HydrophobicContact CE1-CB 4.42Å; F48-D52 VanDerWaalsContact O-CB 3.28Å; F48-D52 WeakPolarHBondContact O-CB 3.4Å; F48-D52 PolarHBondContact O-N 3.37Å; D52-Q55 VanDerWaalsContact CG-CA 3.5Å; D52-Q55 WeakPolarHBondContact OD1-CA 3.18Å; D52-Q55 PolarHBondContact OD1-N 3.48Å; D52-Q55 WeakPolarHBondContact OD2-CA 3.29Å; D52-S56 PolarHBondContact OD1-N 2.92Å; D52-S56 VanDerWaalsContact OD1-N 3.17Å; D52-S56 PolarHBondContact OD2-N 2.7Å; D52-G57 WeakPolarHBondContact OD2-CA 3.22Å; D52-G57 PolarHBondContact OD2-N 3.34Å; D52-L59 HydrophobicContact CB-CD2 3.87Å
53N82.6Confident87.2Confident120 Ų12062.7 Ų62.764%0.64231%0.31SS*.SBendtrans-82.2-39.2-171.2-167.771.5000111.3I51 Q55 E63 K70I51-N53 PolarHBondContact O-N 3.43Å; N53-Q55 VanDerWaalsContact C-N 3.29Å; N53-E63 WeakPolarHBondContact CB-OE1 3.47Å; N53-E63 PolarHBondContact N-OE1 3.43Å; N53-K70 VanDerWaalsContact CB-NZ 3.34Å; N53-K70 PolarHBondContact OD1-NZ 3.23Å; N53-K70 VanDerWaalsContact OD1-NZ 3.16Å
54D85.7Confident87.2Confident97 Ų9759.4 Ų59.452%0.51929%0.294SS..SBendtrans-86.7-5.7-177.777.7-9.7000112.6S56 E63D54-S56 PolarHBondContact O-N 3.25Å; D54-S56 WeakPolarHBondContact OD1-CA 3.27Å; D54-S56 WeakPolarHBondContact OD1-CB 3.33Å; D54-S56 PolarHBondContact OD1-N 3.17Å; D54-S56 PolarHBondContact OD1-OG 3.24Å; D54-S56 WeakPolarHBondContact OD2-CB 3.46Å; D54-E63 PolarHBondContact N-OE1 2.9Å
55Q83.8Confident87.2Confident163 Ų16362.9 Ų62.976%0.76231%0.309SS*.  trans57.130.9-177-57.6-172.9-28.600111.9D52 N53 G57D52-Q55 VanDerWaalsContact CG-CA 3.5Å; D52-Q55 WeakPolarHBondContact OD1-CA 3.18Å; D52-Q55 PolarHBondContact OD1-N 3.48Å; D52-Q55 WeakPolarHBondContact OD2-CA 3.29Å; N53-Q55 VanDerWaalsContact C-N 3.29Å; Q55-G57 PolarHBondContact O-N 3.41Å
56S86.8Confident87.2Confident53 Ų5362.5 Ų62.537%0.37131%0.308SS..SBendtrans-68.5-20.417764.70000112D52 D54 Y58D52-S56 PolarHBondContact OD1-N 2.92Å; D52-S56 VanDerWaalsContact OD1-N 3.17Å; D52-S56 PolarHBondContact OD2-N 2.7Å; D54-S56 PolarHBondContact O-N 3.25Å; D54-S56 WeakPolarHBondContact OD1-CA 3.27Å; D54-S56 WeakPolarHBondContact OD1-CB 3.33Å; D54-S56 PolarHBondContact OD1-N 3.17Å; D54-S56 PolarHBondContact OD1-OG 3.24Å; D54-S56 WeakPolarHBondContact OD2-CB 3.46Å; S56-Y58 WeakPolarHBondContact O-CD2 3.33Å; S56-Y58 PolarHBondContact OG-N 3.39Å; S56-Y58 PolarHBondContact OG-O 3.47Å
57G87.6Confident87.2Confident31 Ų3158.6 Ų58.632%0.3229%0.287SS..SBendtrans87.17.7-173.600000113.6F48 D52 Q55F48-G57 WeakPolarHBondContact CE1-O 3.21Å; F48-G57 WeakPolarHBondContact CZ-O 3.33Å; D52-G57 WeakPolarHBondContact OD2-CA 3.22Å; D52-G57 PolarHBondContact OD2-N 3.34Å; Q55-G57 PolarHBondContact O-N 3.41Å
58Y90.4Very high87.2Confident110 Ų11058.7 Ų58.743%0.43129%0.287SS..EExtended strand (participates in β ladder)trans-140.2143.3-178.4-60.8-87.9000109.4S56 K97 I98S56-Y58 WeakPolarHBondContact O-CD2 3.33Å; S56-Y58 PolarHBondContact OG-N 3.39Å; S56-Y58 PolarHBondContact OG-O 3.47Å; Y58-K97 HydrophobicContact CD1-CB 4.45Å; Y58-K97 HydrophobicContact CG-CD 4.37Å; Y58-I98 CarbonylContact C-O 3.42Å; Y58-I98 WeakPolarHBondContact CA-O 3.44Å
59L89.6Confident87.1Confident0 Ų061.4 Ų61.40%030%0.3CS..EExtended strand (participates in β ladder)trans-97.6121.5171.4-59.3174.1000109.9F48 I51 D52 E63 L64 K97 I98 F103F48-L59 HydrophobicContact CD2-CD1 3.86Å; F48-L59 HydrophobicContact CD2-CG 4.13Å; F48-L59 HydrophobicContact CE2-CD1 3.74Å; F48-L59 HydrophobicContact CE2-CD2 4.48Å; F48-L59 HydrophobicContact CE2-CG 3.59Å; F48-L59 HydrophobicContact CZ-CG 4.08Å; I51-L59 HydrophobicContact CB-CD1 4.45Å; I51-L59 HydrophobicContact CB-CD2 4.07Å; I51-L59 HydrophobicContact CG2-CD1 3.93Å; I51-L59 HydrophobicContact CG2-CD2 3.58Å; I51-L59 HydrophobicContact CG2-CG 4.41Å; D52-L59 HydrophobicContact CB-CD2 3.87Å; L59-E63 WeakPolarHBondContact CA-OE2 3.45Å; L59-L64 HydrophobicContact CB-CD2 4.19Å; L59-L64 HydrophobicContact CB-CG 4.47Å; L59-L64 HydrophobicContact CD1-CD2 4.32Å; L59-K97 CarbonylContact O-C 3.41Å; L59-K97 VanDerWaalsContact O-CA 3.3Å; L59-K97 WeakPolarHBondContact O-CA 3.44Å; L59-I98 HydrophobicContact CB-CB 4.24Å; L59-I98 PolarHBondContact N-O 3.04Å; L59-I98 PolarHBondContact O-N 3.09Å; L59-F103 HydrophobicContact CD1-CD2 4.14Å; L59-F103 HydrophobicContact CD1-CE2 4.37Å
60D89.8Confident87.1Confident43 Ų4356.4 Ų56.423%0.2328%0.283CS..  trans-94.6171.617664.526.4000112.8D62 E63 L64D60-D62 PolarHBondContact O-N 2.99Å; D60-D62 PolarHBondContact OD1-N 2.88Å; D60-E63 PolarHBondContact O-N 3.47Å; D60-E63 WeakPolarHBondContact OD1-CB 3.3Å; D60-E63 VanDerWaalsContact OD1-CG 3.3Å; D60-E63 WeakPolarHBondContact OD1-CG 3.45Å; D60-E63 PolarHBondContact OD1-N 3.38Å; D60-L64 WeakPolarHBondContact O-CB 3.32Å; D60-L64 VanDerWaalsContact O-CG 3.28Å; D60-L64 WeakPolarHBondContact O-CG 3.46Å; D60-L64 PolarHBondContact O-N 3.35Å
61E87.9Confident87Confident92 Ų9253.6 Ų53.643%0.4327%0.27SS..Hα-helixtrans-57.6-34.4-179.7-68.6-17410200112.7L64 K65 T83 M87E61-L64 PolarHBondContact O-N 3.29Å; E61-K65 PolarHBondContact O-N 3.34Å; E61-T83 HydrophobicContact CB-CG2 4.04Å; E61-T83 HydrophobicContact CG-CG2 4.41Å; E61-T83 VanDerWaalsContact O-CG2 3.31Å; E61-T83 WeakPolarHBondContact O-CG2 3.4Å; E61-M87 HydrophobicContact CB-CE 4.31Å; E61-M87 HydrophobicContact CG-CE 3.53Å
62D87Confident86.9Confident117 Ų11757.3 Ų57.363%0.62629%0.288SS*.Hα-helixtrans-69.3-44.1-179.9-75.6-40.6000110.6D60 K65 F66D60-D62 PolarHBondContact O-N 2.99Å; D60-D62 PolarHBondContact OD1-N 2.88Å; D62-K65 VanDerWaalsContact O-CB 3.29Å; D62-K65 WeakPolarHBondContact O-CB 3.46Å; D62-K65 PolarHBondContact O-N 3.08Å; D62-F66 WeakPolarHBondContact O-CD2 3.43Å
63E88.6Confident86.6Confident18 Ų1862.1 Ų62.18%0.08432%0.322CS..Hα-helixtrans-66.3-39.4174.7-71.9-173.6134.200112.3N53 D54 L59 D60 K65 F66 F67N53-E63 WeakPolarHBondContact CB-OE1 3.47Å; N53-E63 PolarHBondContact N-OE1 3.43Å; D54-E63 PolarHBondContact N-OE1 2.9Å; L59-E63 WeakPolarHBondContact CA-OE2 3.45Å; D60-E63 PolarHBondContact O-N 3.47Å; D60-E63 WeakPolarHBondContact OD1-CB 3.3Å; D60-E63 VanDerWaalsContact OD1-CG 3.3Å; D60-E63 WeakPolarHBondContact OD1-CG 3.45Å; D60-E63 PolarHBondContact OD1-N 3.38Å; E63-K65 VanDerWaalsContact C-N 3.26Å; E63-K65 PolarHBondContact O-N 2.93Å; E63-F66 CarbonylContact O-C 3.38Å; E63-F66 PolarHBondContact O-N 2.96Å; E63-F66 VanDerWaalsContact O-N 3.1Å; E63-F67 PolarHBondContact O-N 2.89Å; E63-F67 VanDerWaalsContact O-N 3.07Å
64L87.8Confident86.6Confident2 Ų263.9 Ų63.91%0.0133%0.331CS..Hα-helixtrans-62.2-35175.3-74.7-175.2000112.2L59 D60 E61 F66 F67 L78 T83 L86 M87 I98L59-L64 HydrophobicContact CB-CD2 4.19Å; L59-L64 HydrophobicContact CB-CG 4.47Å; L59-L64 HydrophobicContact CD1-CD2 4.32Å; D60-L64 WeakPolarHBondContact O-CB 3.32Å; D60-L64 VanDerWaalsContact O-CG 3.28Å; D60-L64 WeakPolarHBondContact O-CG 3.46Å; D60-L64 PolarHBondContact O-N 3.35Å; E61-L64 PolarHBondContact O-N 3.29Å; L64-F66 PolarHBondContact O-N 3.02Å; L64-F67 HydrophobicContact CD2-CD2 4.34Å; L64-F67 WeakPolarHBondContact O-CB 3.49Å; L64-F67 PolarHBondContact O-N 3.26Å; L64-L78 WeakPolarHBondContact O-CD1 3.42Å; L64-T83 HydrophobicContact CB-CG2 3.87Å; L64-L86 HydrophobicContact CB-CD2 4.12Å; L64-L86 HydrophobicContact CD1-CD2 3.98Å; L64-L86 HydrophobicContact CD1-CG 4.13Å; L64-L86 HydrophobicContact CD2-CD2 3.49Å; L64-L86 VanDerWaalsContact CD2-CD2 3.49Å; L64-L86 HydrophobicContact CD2-CG 4.24Å; L64-L86 HydrophobicContact CG-CD2 4.06Å; L64-M87 HydrophobicContact CD1-CB 4.23Å; L64-M87 HydrophobicContact CD1-CE 3.57Å; L64-M87 HydrophobicContact CD1-SD 4.08Å; L64-I98 HydrophobicContact CD1-CD1 3.58Å; L64-I98 HydrophobicContact CD1-CG1 4.41Å; L64-I98 HydrophobicContact CD2-CD1 3.97Å; L64-I98 HydrophobicContact CG-CD1 4.27Å
65K88.1Confident86.6Confident72 Ų7260 Ų6031%0.31331%0.313SS..Hα-helixtrans-57.3-37.1174.5-164.1-170.8-175.2-142.10112.3E61 D62 E63 E77 L78E61-K65 PolarHBondContact O-N 3.34Å; D62-K65 VanDerWaalsContact O-CB 3.29Å; D62-K65 WeakPolarHBondContact O-CB 3.46Å; D62-K65 PolarHBondContact O-N 3.08Å; E63-K65 VanDerWaalsContact C-N 3.26Å; E63-K65 PolarHBondContact O-N 2.93Å; K65-E77 VanDerWaalsContact CE-OE2 3.25Å; K65-E77 WeakPolarHBondContact CE-OE2 3.41Å; K65-E77 HydrophobicContact CG-CB 4.44Å; K65-E77 IonicContact NZ-OE2 2.81Å; K65-E77 PolarHBondContact NZ-OE2 3.2Å; K65-L78 PolarHBondContact O-N 3.41Å
66F87.8Confident86.7Confident77 Ų7755.4 Ų55.434%0.33829%0.288SS..THydrogen-bonded Turntrans-94.910.1177.5-57-69.6000113.2D62 E63 L64 L68 Q69 K70 E77D62-F66 WeakPolarHBondContact O-CD2 3.43Å; E63-F66 CarbonylContact O-C 3.38Å; E63-F66 PolarHBondContact O-N 2.96Å; E63-F66 VanDerWaalsContact O-N 3.1Å; L64-F66 PolarHBondContact O-N 3.02Å; F66-L68 PolarHBondContact O-N 3.48Å; F66-Q69 WeakPolarHBondContact O-CA 3.37Å; F66-Q69 WeakPolarHBondContact O-CB 3.45Å; F66-Q69 PolarHBondContact O-N 2.83Å; F66-K70 PolarHBondContact O-N 3.14Å; F66-E77 HydrophobicContact CD1-CG 4.11Å; F66-E77 HydrophobicContact CE1-CG 4.09Å; F66-E77 WeakPolarHBondContact CE1-OE1 3.4Å
67F86.4Confident86.8Confident1 Ų156.7 Ų56.70%0.00429%0.288CS..Hα-helixtrans-53.5-50-176.8176.9-96.1000112.1F25 F30 F31 I51 E63 L64 Q69 K70 F71 L78 F103F25-F67 HydrophobicContact CZ-CD1 4.06Å; F25-F67 HydrophobicContact CZ-CE1 4.03Å; F30-F67 AromaticContact CD1-CE1 3.93Å; F30-F67 HydrophobicContact CD1-CE1 3.93Å; F30-F67 HydrophobicContact CD1-CZ 4.41Å; F30-F67 AromaticContact CE1-CE1 3.7Å; F30-F67 HydrophobicContact CE1-CE1 3.7Å; F30-F67 HydrophobicContact CE1-CZ 4.19Å; F30-F67 HydrophobicContact CZ-CE1 4.34Å; F31-F67 HydrophobicContact CE1-CE2 4.46Å; F31-F67 AromaticContact CE1-CZ 3.66Å; F31-F67 HydrophobicContact CE1-CZ 3.66Å; F31-F67 HydrophobicContact CZ-CE2 4.43Å; F31-F67 AromaticContact CZ-CZ 3.8Å; F31-F67 HydrophobicContact CZ-CZ 3.8Å; I51-F67 HydrophobicContact CD1-CD2 4.07Å; I51-F67 HydrophobicContact CD1-CE2 3.51Å; I51-F67 HydrophobicContact CD1-CZ 4.39Å; I51-F67 HydrophobicContact CG1-CD2 4.42Å; I51-F67 HydrophobicContact CG1-CE2 4.29Å; I51-F67 HydrophobicContact CG2-CD2 3.86Å; I51-F67 HydrophobicContact CG2-CE2 4.4Å; E63-F67 PolarHBondContact O-N 2.89Å; E63-F67 VanDerWaalsContact O-N 3.07Å; L64-F67 HydrophobicContact CD2-CD2 4.34Å; L64-F67 WeakPolarHBondContact O-CB 3.49Å; L64-F67 PolarHBondContact O-N 3.26Å; F67-Q69 PolarHBondContact O-N 3.22Å; F67-K70 VanDerWaalsContact O-CB 3.26Å; F67-K70 WeakPolarHBondContact O-CB 3.4Å; F67-K70 PolarHBondContact O-N 2.85Å; F67-F71 HydrophobicContact CD1-CD2 4.4Å; F67-F71 AromaticContact CD1-CE2 3.89Å; F67-F71 HydrophobicContact CD1-CE2 3.89Å; F67-F71 HydrophobicContact CD2-CE2 4.16Å; F67-F71 HydrophobicContact CE1-CD2 4.18Å; F67-F71 AromaticContact CE1-CE2 3.41Å; F67-F71 HydrophobicContact CE1-CE2 3.41Å; F67-F71 VanDerWaalsContact CE1-CE2 3.41Å; F67-F71 HydrophobicContact CE1-CZ 4.08Å; F67-F71 AromaticContact CE2-CE2 3.73Å; F67-F71 HydrophobicContact CE2-CE2 3.73Å; F67-F71 HydrophobicContact CE2-CZ 4.14Å; F67-F71 HydrophobicContact CG-CE2 4.23Å; F67-F71 HydrophobicContact CZ-CD2 4.46Å; F67-F71 AromaticContact CZ-CE2 3.32Å; F67-F71 HydrophobicContact CZ-CE2 3.32Å; F67-F71 AromaticContact CZ-CZ 3.64Å; F67-F71 HydrophobicContact CZ-CZ 3.64Å; F67-F71 VanDerWaalsContact O-CD2 3.23Å; F67-F71 WeakPolarHBondContact O-CD2 3.41Å; F67-L78 HydrophobicContact CB-CD1 4.42Å; F67-F103 HydrophobicContact CE2-CE2 4.06Å; F67-F103 HydrophobicContact CE2-CZ 4.46Å
68L86.5Confident86.8Confident2 Ų255.3 Ų55.31%0.0127%0.274CS..Hα-helixtrans-60.8-34.8178.9-63.8-176.4000112.4L16 F25 F30 F66 K70 F71 Q72 A75 R76 L78L16-L68 HydrophobicContact CD2-CB 3.86Å; L16-L68 HydrophobicContact CD2-CD1 4.24Å; L16-L68 HydrophobicContact CD2-CD2 3.57Å; L16-L68 HydrophobicContact CD2-CG 4.09Å; F25-L68 HydrophobicContact CD2-CD1 4.48Å; F25-L68 HydrophobicContact CD2-CD2 3.92Å; F25-L68 HydrophobicContact CE2-CD2 3.45Å; F25-L68 VanDerWaalsContact CE2-CD2 3.45Å; F25-L68 HydrophobicContact CE2-CG 4.38Å; F25-L68 HydrophobicContact CZ-CD2 4.29Å; F30-L68 HydrophobicContact CD2-CD2 4.28Å; F30-L68 HydrophobicContact CE2-CD2 3.85Å; F30-L68 HydrophobicContact CZ-CD2 4.25Å; F66-L68 PolarHBondContact O-N 3.48Å; L68-K70 PolarHBondContact O-N 2.93Å; L68-F71 PolarHBondContact O-N 3.17Å; L68-Q72 PolarHBondContact O-N 3.42Å; L68-Q72 VanDerWaalsContact O-N 3.08Å; L68-A75 HydrophobicContact CB-CB 3.8Å; L68-R76 WeakPolarHBondContact CB-O 3.24Å; L68-R76 HydrophobicContact CD1-CG 3.96Å; L68-R76 WeakPolarHBondContact CD1-O 3.42Å; L68-L78 HydrophobicContact CD1-CD2 3.59Å; L68-L78 HydrophobicContact CD1-CG 4.32Å; L68-L78 HydrophobicContact CG-CD2 3.86Å; L68-L78 HydrophobicContact CG-CG 4.21Å
69Q87.4Confident86.7Confident63 Ų6352.2 Ų52.229%0.29427%0.267SS..Hα-helixtrans-68.2-21.9178.9-69.2-178.41.900113.2F66 F67 F71 Q72 A75F66-Q69 WeakPolarHBondContact O-CA 3.37Å; F66-Q69 WeakPolarHBondContact O-CB 3.45Å; F66-Q69 PolarHBondContact O-N 2.83Å; F67-Q69 PolarHBondContact O-N 3.22Å; Q69-F71 VanDerWaalsContact C-N 3.27Å; Q69-Q72 VanDerWaalsContact CA-O 3.26Å; Q69-Q72 WeakPolarHBondContact CA-O 3.43Å; Q69-Q72 CarbonylContact O-C 3.39Å; Q69-A75 WeakPolarHBondContact CG-O 3.5Å
70K85.8Confident86.6Confident46 Ų4659.6 Ų59.620%0.230%0.301CS..Hα-helixtrans-67.2-31.4171-59.6-71.7178.5149.70111.4F50 I51 N53 F66 F67 L68F50-K70 WeakPolarHBondContact CE1-O 3.31Å; I51-K70 HydrophobicContact CB-CG 4.46Å; I51-K70 HydrophobicContact CG1-CB 4.31Å; I51-K70 HydrophobicContact CG2-CG 4.18Å; I51-K70 WeakPolarHBondContact O-CE 3.31Å; I51-K70 PolarHBondContact O-NZ 3.25Å; N53-K70 VanDerWaalsContact CB-NZ 3.34Å; N53-K70 PolarHBondContact OD1-NZ 3.23Å; N53-K70 VanDerWaalsContact OD1-NZ 3.16Å; F66-K70 PolarHBondContact O-N 3.14Å; F67-K70 VanDerWaalsContact O-CB 3.26Å; F67-K70 WeakPolarHBondContact O-CB 3.4Å; F67-K70 PolarHBondContact O-N 2.85Å; L68-K70 PolarHBondContact O-N 2.93Å
71F83.9Confident86.6Confident10 Ų1060.8 Ų60.84%0.04431%0.312CS..Hα-helixtrans-84.8-46.3178.7-63-94.4000112.8I3 L7 I12 F30 L36 V47 I51 F67 L68 Q69I3-F71 HydrophobicContact CD1-CD1 3.59Å; I3-F71 HydrophobicContact CD1-CE1 3.26Å; I3-F71 HydrophobicContact CD1-CG 4.38Å; I3-F71 HydrophobicContact CD1-CZ 3.77Å; I3-F71 HydrophobicContact CG1-CD1 4.25Å; I3-F71 HydrophobicContact CG1-CE1 4.18Å; I3-F71 HydrophobicContact CG2-CD1 4.1Å; L7-F71 HydrophobicContact CD1-CD1 4.04Å; L7-F71 HydrophobicContact CD1-CE1 3.67Å; I12-F71 HydrophobicContact CD1-CD1 4.27Å; I12-F71 HydrophobicContact CG1-CD1 4.16Å; I12-F71 HydrophobicContact CG2-CB 3.68Å; F30-F71 HydrophobicContact CE1-CD1 4.32Å; F30-F71 HydrophobicContact CE1-CD2 4.16Å; F30-F71 HydrophobicContact CE1-CE1 4.03Å; F30-F71 AromaticContact CE1-CE2 3.93Å; F30-F71 HydrophobicContact CE1-CE2 3.93Å; F30-F71 HydrophobicContact CE1-CG 4.38Å; F30-F71 AromaticContact CE1-CZ 3.85Å; F30-F71 HydrophobicContact CE1-CZ 3.85Å; F30-F71 HydrophobicContact CZ-CD1 4.21Å; F30-F71 AromaticContact CZ-CD2 3.95Å; F30-F71 HydrophobicContact CZ-CD2 3.95Å; F30-F71 HydrophobicContact CZ-CE1 4.38Å; F30-F71 HydrophobicContact CZ-CE2 4.2Å; F30-F71 AromaticContact CZ-CG 3.98Å; F30-F71 HydrophobicContact CZ-CG 3.98Å; F30-F71 HydrophobicContact CZ-CZ 4.4Å; L36-F71 HydrophobicContact CD1-CE1 3.84Å; L36-F71 HydrophobicContact CD1-CZ 4Å; V47-F71 HydrophobicContact CG1-CZ 4.37Å; I51-F71 HydrophobicContact CD1-CE2 4.36Å; I51-F71 HydrophobicContact CD1-CZ 4.16Å; I51-F71 HydrophobicContact CG1-CE2 4.47Å; F67-F71 HydrophobicContact CD1-CD2 4.4Å; F67-F71 AromaticContact CD1-CE2 3.89Å; F67-F71 HydrophobicContact CD1-CE2 3.89Å; F67-F71 HydrophobicContact CD2-CE2 4.16Å; F67-F71 HydrophobicContact CE1-CD2 4.18Å; F67-F71 AromaticContact CE1-CE2 3.41Å; F67-F71 HydrophobicContact CE1-CE2 3.41Å; F67-F71 VanDerWaalsContact CE1-CE2 3.41Å; F67-F71 HydrophobicContact CE1-CZ 4.08Å; F67-F71 AromaticContact CE2-CE2 3.73Å; F67-F71 HydrophobicContact CE2-CE2 3.73Å; F67-F71 HydrophobicContact CE2-CZ 4.14Å; F67-F71 HydrophobicContact CG-CE2 4.23Å; F67-F71 HydrophobicContact CZ-CD2 4.46Å; F67-F71 AromaticContact CZ-CE2 3.32Å; F67-F71 HydrophobicContact CZ-CE2 3.32Å; F67-F71 AromaticContact CZ-CZ 3.64Å; F67-F71 HydrophobicContact CZ-CZ 3.64Å; F67-F71 VanDerWaalsContact O-CD2 3.23Å; F67-F71 WeakPolarHBondContact O-CD2 3.41Å; L68-F71 PolarHBondContact O-N 3.17Å; Q69-F71 VanDerWaalsContact C-N 3.27Å
72Q83.5Confident86.6Confident79 Ų7956.6 Ų56.637%0.36929%0.293SS..  trans-135.7126.9169-80.8-166.9-77.200110.1I12 L16 L68 Q69 D74 A75I12-Q72 HydrophobicContact CG2-CG 4.01Å; L16-Q72 HydrophobicContact CD1-CB 3.61Å; L16-Q72 HydrophobicContact CD1-CG 3.6Å; L68-Q72 PolarHBondContact O-N 3.42Å; L68-Q72 VanDerWaalsContact O-N 3.08Å; Q69-Q72 VanDerWaalsContact CA-O 3.26Å; Q69-Q72 WeakPolarHBondContact CA-O 3.43Å; Q69-Q72 CarbonylContact O-C 3.39Å; Q72-D74 PolarHBondContact O-N 3.04Å; Q72-A75 HydrophobicContact CB-CB 4.26Å; Q72-A75 WeakPolarHBondContact O-CB 3.23Å; Q72-A75 PolarHBondContact O-N 3.39Å
73S80.9Confident86.7Confident109 Ų10951.3 Ų51.376%0.76227%0.265SS*.THydrogen-bonded Turntrans-59.2-23178.7-47.70000114.1
74D83.8Confident86.7Confident157 Ų15756.1 Ų56.184%0.8429%0.285SS*.THydrogen-bonded Turntrans-91.13.6177.8-64.9-34.1000113.5Q72Q72-D74 PolarHBondContact O-N 3.04Å
75A84.4Confident86.6Confident16 Ų1659.2 Ų59.213%0.13231%0.308CS..SBendtrans-73.4155.5178.900000112.4L16 L68 Q69 Q72L16-A75 HydrophobicContact CD1-CB 4.2Å; L16-A75 HydrophobicContact CD2-CB 3.83Å; L68-A75 HydrophobicContact CB-CB 3.8Å; Q69-A75 WeakPolarHBondContact CG-O 3.5Å; Q72-A75 HydrophobicContact CB-CB 4.26Å; Q72-A75 WeakPolarHBondContact O-CB 3.23Å; Q72-A75 PolarHBondContact O-N 3.39Å
76R86Confident86.6Confident65 Ų6555.9 Ų55.925%0.24529%0.293CS..PPolyproline II helixtrans-69157175.171.2178.3-173.790.6-5.9111.6C19 D21 L68 E82C19-R76 VanDerWaalsContact O-CZ 3.31Å; C19-R76 PolarHBondContact O-NE 3.3Å; C19-R76 PolarHBondContact O-NH2 3.36Å; D21-R76 PolarHBondContact O-NH2 2.91Å; L68-R76 WeakPolarHBondContact CB-O 3.24Å; L68-R76 HydrophobicContact CD1-CG 3.96Å; L68-R76 WeakPolarHBondContact CD1-O 3.42Å; R76-E82 IonicContact CZ-OE1 3.46Å; R76-E82 IonicContact CZ-OE2 2.72Å; R76-E82 IonicContact NH1-OE1 2.72Å; R76-E82 PolarHBondContact NH1-OE1 2.95Å; R76-E82 IonicContact NH1-OE2 2.68Å; R76-E82 PolarHBondContact NH1-OE2 2.9Å; R76-E82 IonicContact NH2-OE1 3.33Å; R76-E82 PolarHBondContact NH2-OE1 3.49Å; R76-E82 IonicContact NH2-OE2 3.53Å; R76-E82 PolarHBondContact NH2-OE2 3.03Å
77E89.1Confident86.6Confident80 Ų8052.7 Ų52.737%0.37428%0.279SS..PPolyproline II helixtrans-74147.4166-64.8176-161.600109.7K65 F66K65-E77 VanDerWaalsContact CE-OE2 3.25Å; K65-E77 WeakPolarHBondContact CE-OE2 3.41Å; K65-E77 HydrophobicContact CG-CB 4.44Å; K65-E77 IonicContact NZ-OE2 2.81Å; K65-E77 PolarHBondContact NZ-OE2 3.2Å; F66-E77 HydrophobicContact CD1-CG 4.11Å; F66-E77 HydrophobicContact CE1-CG 4.09Å; F66-E77 WeakPolarHBondContact CE1-OE1 3.4Å
78L87.4Confident86.7Confident3 Ų356.5 Ų56.52%0.01631%0.311CS..PPolyproline II helixtrans-67.8143.3168.3-66.7-176000109.6F25 L64 K65 F67 L68 E82 L86F25-L78 HydrophobicContact CB-CD2 3.82Å; F25-L78 HydrophobicContact CD1-CD1 3.93Å; F25-L78 HydrophobicContact CD1-CD2 3.66Å; F25-L78 HydrophobicContact CD1-CG 4.49Å; F25-L78 HydrophobicContact CD2-CD2 3.73Å; F25-L78 HydrophobicContact CE1-CD1 3.75Å; F25-L78 HydrophobicContact CE1-CD2 4.14Å; F25-L78 HydrophobicContact CE2-CD2 4.23Å; F25-L78 HydrophobicContact CG-CD2 3.43Å; F25-L78 VanDerWaalsContact CG-CD2 3.43Å; F25-L78 HydrophobicContact CZ-CD1 4.21Å; F25-L78 HydrophobicContact CZ-CD2 4.41Å; L64-L78 WeakPolarHBondContact O-CD1 3.42Å; K65-L78 PolarHBondContact O-N 3.41Å; F67-L78 HydrophobicContact CB-CD1 4.42Å; L68-L78 HydrophobicContact CD1-CD2 3.59Å; L68-L78 HydrophobicContact CD1-CG 4.32Å; L68-L78 HydrophobicContact CG-CD2 3.86Å; L68-L78 HydrophobicContact CG-CG 4.21Å; L78-E82 HydrophobicContact CB-CB 4.11Å; L78-E82 HydrophobicContact CD2-CB 4.18Å; L78-L86 HydrophobicContact CD1-CD2 3.91Å
79T89.2Confident86.6Confident45 Ų4558.8 Ų58.828%0.27633%0.33SS..PPolyproline II helixtrans-71.7158.9171.471.80000109.6D23 S81 E82 T83D23-T79 PolarHBondContact OD1-OG1 2.98Å; T79-S81 PolarHBondContact O-N 2.76Å; T79-S81 VanDerWaalsContact O-N 3.11Å; T79-E82 PolarHBondContact N-OE2 2.94Å; T79-E82 PolarHBondContact O-N 2.85Å; T79-E82 WeakPolarHBondContact OG1-CG 3.41Å; T79-E82 PolarHBondContact OG1-N 3.23Å; T79-E82 PolarHBondContact OG1-OE2 2.87Å; T79-T83 PolarHBondContact O-N 2.81Å; T79-T83 PolarHBondContact O-OG1 2.78Å
80E88.3Confident86.6Confident155 Ų15555.9 Ų55.972%0.72432%0.317SS*.Hα-helixtrans-55.2-32.4175.1-66.4-179.2-176.100112.6K84E80-K84 WeakPolarHBondContact O-CB 3.19Å; E80-K84 VanDerWaalsContact O-CG 3.27Å; E80-K84 WeakPolarHBondContact O-CG 3.46Å; E80-K84 PolarHBondContact O-N 2.81Å
81S88.4Confident86.9Confident67 Ų6755 Ų5547%0.46932%0.315SS..Hα-helixtrans-66.9-44.5176.6-176.70000111.5D23 T79 S85D23-S81 WeakPolarHBondContact OD1-CB 3.39Å; D23-S81 PolarHBondContact OD1-OG 2.93Å; T79-S81 PolarHBondContact O-N 2.76Å; T79-S81 VanDerWaalsContact O-N 3.11Å; S81-S85 WeakPolarHBondContact O-CB 3.14Å; S81-S85 PolarHBondContact O-N 3.37Å; S81-S85 PolarHBondContact O-OG 2.68Å
82E88.4Confident87Confident4 Ų459.9 Ų59.92%0.01934%0.341CS..Hα-helixtrans-69.8-44.2178.2-68.7170.8147.400111.8D23 T24 F25 R76 L78 T79 K84 S85 L86D23-E82 VanDerWaalsContact CA-OE1 3.25Å; D23-E82 WeakPolarHBondContact CA-OE1 3.48Å; D23-E82 PolarHBondContact N-OE1 3.44Å; T24-E82 PolarHBondContact N-OE1 3.2Å; F25-E82 HydrophobicContact CB-CB 4.31Å; F25-E82 HydrophobicContact CB-CG 3.98Å; F25-E82 WeakPolarHBondContact CB-OE1 2.96Å; F25-E82 HydrophobicContact CD1-CB 4.49Å; F25-E82 PolarHBondContact N-OE1 2.93Å; R76-E82 IonicContact CZ-OE1 3.46Å; R76-E82 IonicContact CZ-OE2 2.72Å; R76-E82 IonicContact NH1-OE1 2.72Å; R76-E82 PolarHBondContact NH1-OE1 2.95Å; R76-E82 IonicContact NH1-OE2 2.68Å; R76-E82 PolarHBondContact NH1-OE2 2.9Å; R76-E82 IonicContact NH2-OE1 3.33Å; R76-E82 PolarHBondContact NH2-OE1 3.49Å; R76-E82 IonicContact NH2-OE2 3.53Å; R76-E82 PolarHBondContact NH2-OE2 3.03Å; L78-E82 HydrophobicContact CB-CB 4.11Å; L78-E82 HydrophobicContact CD2-CB 4.18Å; T79-E82 PolarHBondContact N-OE2 2.94Å; T79-E82 PolarHBondContact O-N 2.85Å; T79-E82 WeakPolarHBondContact OG1-CG 3.41Å; T79-E82 PolarHBondContact OG1-N 3.23Å; T79-E82 PolarHBondContact OG1-OE2 2.87Å; E82-K84 VanDerWaalsContact C-N 3.31Å; E82-K84 PolarHBondContact O-N 3.4Å; E82-S85 PolarHBondContact O-N 3.12Å; E82-L86 VanDerWaalsContact O-CB 3.31Å; E82-L86 WeakPolarHBondContact O-CB 3.36Å; E82-L86 PolarHBondContact O-N 3.46Å
83T89.2Confident87.2Confident6 Ų661.3 Ų61.34%0.03735%0.351CS..Hα-helixtrans-57.7-45.5174.9-60.30000110.9E61 L64 T79 L86 M87E61-T83 HydrophobicContact CB-CG2 4.04Å; E61-T83 HydrophobicContact CG-CG2 4.41Å; E61-T83 VanDerWaalsContact O-CG2 3.31Å; E61-T83 WeakPolarHBondContact O-CG2 3.4Å; L64-T83 HydrophobicContact CB-CG2 3.87Å; T79-T83 PolarHBondContact O-N 2.81Å; T79-T83 PolarHBondContact O-OG1 2.78Å; T83-L86 PolarHBondContact O-N 3.08Å; T83-M87 WeakPolarHBondContact O-CB 3.47Å; T83-M87 PolarHBondContact O-N 3.37Å
84K87.9Confident87.5Confident119 Ų11959 Ų5952%0.51734%0.344SS..Hα-helixtrans-65.8-38.1176.1-78.6177.1179.1171.90113E80 E82 A88E80-K84 WeakPolarHBondContact O-CB 3.19Å; E80-K84 VanDerWaalsContact O-CG 3.27Å; E80-K84 WeakPolarHBondContact O-CG 3.46Å; E80-K84 PolarHBondContact O-N 2.81Å; E82-K84 VanDerWaalsContact C-N 3.31Å; E82-K84 PolarHBondContact O-N 3.4Å; K84-A88 VanDerWaalsContact O-CB 3.22Å; K84-A88 WeakPolarHBondContact O-CB 3.5Å; K84-A88 PolarHBondContact O-N 2.99Å
85S86.5Confident87.7Confident68 Ų6855 Ų5548%0.47632%0.323SS..Hα-helixtrans-67.6-39.4177.5-60.80000111.4S81 E82 A89S81-S85 WeakPolarHBondContact O-CB 3.14Å; S81-S85 PolarHBondContact O-N 3.37Å; S81-S85 PolarHBondContact O-OG 2.68Å; E82-S85 PolarHBondContact O-N 3.12Å; S85-A89 VanDerWaalsContact O-CB 3.27Å; S85-A89 WeakPolarHBondContact O-CB 2.89Å; S85-A89 PolarHBondContact O-N 3Å
86L86.9Confident87.9Confident1 Ų155.9 Ų55.91%0.00533%0.334CS..Hα-helixtrans-64.7-48.7173.7173.666.5000111F25 P27 L64 L78 E82 T83 A89 A90 M106F25-L86 HydrophobicContact CE1-CB 4.36Å; F25-L86 HydrophobicContact CE1-CD1 4.18Å; F25-L86 HydrophobicContact CE1-CD2 4.07Å; F25-L86 HydrophobicContact CE1-CG 4.45Å; P27-L86 HydrophobicContact CB-CD1 3.42Å; P27-L86 VanDerWaalsContact CB-CD1 3.42Å; P27-L86 HydrophobicContact CG-CB 4.04Å; P27-L86 HydrophobicContact CG-CD1 3.31Å; P27-L86 HydrophobicContact CG-CG 4.25Å; L64-L86 HydrophobicContact CB-CD2 4.12Å; L64-L86 HydrophobicContact CD1-CD2 3.98Å; L64-L86 HydrophobicContact CD1-CG 4.13Å; L64-L86 HydrophobicContact CD2-CD2 3.49Å; L64-L86 VanDerWaalsContact CD2-CD2 3.49Å; L64-L86 HydrophobicContact CD2-CG 4.24Å; L64-L86 HydrophobicContact CG-CD2 4.06Å; L78-L86 HydrophobicContact CD1-CD2 3.91Å; E82-L86 VanDerWaalsContact O-CB 3.31Å; E82-L86 WeakPolarHBondContact O-CB 3.36Å; E82-L86 PolarHBondContact O-N 3.46Å; T83-L86 PolarHBondContact O-N 3.08Å; L86-A89 PolarHBondContact O-N 3.41Å; L86-A90 WeakPolarHBondContact O-CB 3.39Å; L86-A90 PolarHBondContact O-N 3.18Å; L86-M106 HydrophobicContact CD1-CE 4.27Å; L86-M106 HydrophobicContact CD1-SD 3.74Å
87M88.8Confident88.1Confident11 Ų1156.9 Ų56.95%0.05434%0.339CS..Hα-helixtrans-57.7-53.6176.6-172.364.382.900110E61 L64 T83 A89 A90 D91 G96 I98E61-M87 HydrophobicContact CB-CE 4.31Å; E61-M87 HydrophobicContact CG-CE 3.53Å; L64-M87 HydrophobicContact CD1-CB 4.23Å; L64-M87 HydrophobicContact CD1-CE 3.57Å; L64-M87 HydrophobicContact CD1-SD 4.08Å; T83-M87 WeakPolarHBondContact O-CB 3.47Å; T83-M87 PolarHBondContact O-N 3.37Å; M87-A89 PolarHBondContact O-N 2.92Å; M87-A89 VanDerWaalsContact O-N 3.1Å; M87-A90 PolarHBondContact O-N 3.04Å; M87-D91 HydrophobicContact CG-CB 4.07Å; M87-D91 WeakPolarHBondContact O-CB 3.15Å; M87-D91 PolarHBondContact O-N 3.47Å; M87-D91 HydrophobicContact SD-CB 3.93Å; M87-G96 VanDerWaalsContact CE-O 3.28Å; M87-G96 WeakPolarHBondContact CE-O 3.3Å; M87-I98 HydrophobicContact SD-CD1 4.21Å; M87-I98 HydrophobicContact SD-CG1 3.67Å
88A87.4Confident88.2Confident80 Ų8053 Ų5366%0.66132%0.322SS*.Hα-helixtrans-64.1-19.7-179.600000114.5K84K84-A88 VanDerWaalsContact O-CB 3.22Å; K84-A88 WeakPolarHBondContact O-CB 3.5Å; K84-A88 PolarHBondContact O-N 2.99Å
89A85.8Confident88.4Confident51 Ų5153.3 Ų53.342%0.42133%0.325SS..Hα-helixtrans-84.6-17.1175.100000113.1S85 L86 M87S85-A89 VanDerWaalsContact O-CB 3.27Å; S85-A89 WeakPolarHBondContact O-CB 2.89Å; S85-A89 PolarHBondContact O-N 3Å; L86-A89 PolarHBondContact O-N 3.41Å; M87-A89 PolarHBondContact O-N 2.92Å; M87-A89 VanDerWaalsContact O-N 3.1Å
90A87.8Confident88.4Confident1 Ų152.1 Ų52.11%0.00832%0.32CS..Hα-helixtrans-115.7-43.4-173.200000112.9L86 M87 N92 I98 E102 M106L86-A90 WeakPolarHBondContact O-CB 3.39Å; L86-A90 PolarHBondContact O-N 3.18Å; M87-A90 PolarHBondContact O-N 3.04Å; A90-N92 PolarHBondContact O-N 3.43Å; A90-I98 HydrophobicContact CB-CB 4.39Å; A90-I98 HydrophobicContact CB-CD1 3.34Å; A90-I98 HydrophobicContact CB-CG1 3.6Å; A90-I98 HydrophobicContact CB-CG2 3.89Å; A90-E102 WeakPolarHBondContact O-CB 3.37Å; A90-M106 HydrophobicContact CB-CB 4.45Å; A90-M106 HydrophobicContact CB-CE 4.13Å; A90-M106 HydrophobicContact CB-SD 3.63Å
91D90.9Very high88.4Confident29 Ų2950.3 Ų50.316%0.15532%0.315CS..  trans-68.793.6175.6179.79.4000109.6M87 G94 D95 G96M87-D91 HydrophobicContact CG-CB 4.07Å; M87-D91 WeakPolarHBondContact O-CB 3.15Å; M87-D91 PolarHBondContact O-N 3.47Å; M87-D91 HydrophobicContact SD-CB 3.93Å; D91-G94 WeakPolarHBondContact OD1-CA 3.39Å; D91-G94 PolarHBondContact OD1-N 2.88Å; D91-D95 PolarHBondContact OD1-N 3.29Å; D91-G96 VanDerWaalsContact OD2-CA 3.31Å; D91-G96 WeakPolarHBondContact OD2-CA 3.27Å; D91-G96 PolarHBondContact OD2-N 3.49Å
92N86.6Confident88.6Confident112 Ų11248 Ų4860%0.59930%0.297SS*.SBendtrans-92.2-25.3-179.6-80-41.1000111.5A90 E102A90-N92 PolarHBondContact O-N 3.43Å; N92-E102 PolarHBondContact N-OE1 3.27Å
93D88.1Confident88.6Confident109 Ų10947.9 Ų47.958%0.58330%0.297SS*.SBendtrans-91.2-12.9-178.8767.2000113.9D95 E102D93-D95 VanDerWaalsContact OD1-CB 3.26Å; D93-D95 WeakPolarHBondContact OD1-CB 3.26Å; D93-D95 VanDerWaalsContact OD1-CG 3.31Å; D93-D95 PolarHBondContact OD1-N 2.92Å; D93-E102 PolarHBondContact N-OE1 3.45Å
94G86.6Confident88.6Confident60 Ų6049.6 Ų49.662%0.61930%0.304SS*.  trans76.424.7176.900000113.4D91 G96D91-G94 WeakPolarHBondContact OD1-CA 3.39Å; D91-G94 PolarHBondContact OD1-N 2.88Å; G94-G96 VanDerWaalsContact C-N 3.25Å
95D88.3Confident88.6Confident74 Ų7449.9 Ų49.940%0.39631%0.307SS..SBendtrans-80.3-7.3178.587.4-9000113.4D91 D93 K97D91-D95 PolarHBondContact OD1-N 3.29Å; D93-D95 VanDerWaalsContact OD1-CB 3.26Å; D93-D95 WeakPolarHBondContact OD1-CB 3.26Å; D93-D95 VanDerWaalsContact OD1-CG 3.31Å; D93-D95 PolarHBondContact OD1-N 2.92Å; D95-K97 VanDerWaalsContact C-N 3.34Å; D95-K97 VanDerWaalsContact OD1-CA 3.31Å; D95-K97 WeakPolarHBondContact OD1-CA 3.05Å; D95-K97 VanDerWaalsContact OD1-CB 3.32Å; D95-K97 WeakPolarHBondContact OD1-CB 3.41Å; D95-K97 PolarHBondContact OD1-N 2.98Å; D95-K97 VanDerWaalsContact OD1-O 3.05Å
96G87.6Confident88.7Confident34 Ų3447.1 Ų47.135%0.35129%0.287SS..SBendtrans77.420.2-179.600000113.3M87 D91 G94M87-G96 VanDerWaalsContact CE-O 3.28Å; M87-G96 WeakPolarHBondContact CE-O 3.3Å; D91-G96 VanDerWaalsContact OD2-CA 3.31Å; D91-G96 WeakPolarHBondContact OD2-CA 3.27Å; D91-G96 PolarHBondContact OD2-N 3.49Å; G94-G96 VanDerWaalsContact C-N 3.25Å
97K90.8Very high88.6Confident85 Ų8547.2 Ų47.237%0.3729%0.287SS..SBendtrans-142.3168.6177.4-51.6-174.1178.3-163.70109.3Y58 L59 D95Y58-K97 HydrophobicContact CD1-CB 4.45Å; Y58-K97 HydrophobicContact CG-CD 4.37Å; L59-K97 CarbonylContact O-C 3.41Å; L59-K97 VanDerWaalsContact O-CA 3.3Å; L59-K97 WeakPolarHBondContact O-CA 3.44Å; D95-K97 VanDerWaalsContact C-N 3.34Å; D95-K97 VanDerWaalsContact OD1-CA 3.31Å; D95-K97 WeakPolarHBondContact OD1-CA 3.05Å; D95-K97 VanDerWaalsContact OD1-CB 3.32Å; D95-K97 WeakPolarHBondContact OD1-CB 3.41Å; D95-K97 PolarHBondContact OD1-N 2.98Å; D95-K97 VanDerWaalsContact OD1-O 3.05Å
98I91.3Very high88.3Confident0 Ų051 Ų510%031%0.305CS..EExtended strand (participates in β ladder)trans-116.2113.6176.1-53.6171.1000108.6F48 Y58 L59 L64 M87 A90 E102 F103F48-I98 WeakPolarHBondContact CE2-O 3.26Å; Y58-I98 CarbonylContact C-O 3.42Å; Y58-I98 WeakPolarHBondContact CA-O 3.44Å; L59-I98 HydrophobicContact CB-CB 4.24Å; L59-I98 PolarHBondContact N-O 3.04Å; L59-I98 PolarHBondContact O-N 3.09Å; L64-I98 HydrophobicContact CD1-CD1 3.58Å; L64-I98 HydrophobicContact CD1-CG1 4.41Å; L64-I98 HydrophobicContact CD2-CD1 3.97Å; L64-I98 HydrophobicContact CG-CD1 4.27Å; M87-I98 HydrophobicContact SD-CD1 4.21Å; M87-I98 HydrophobicContact SD-CG1 3.67Å; A90-I98 HydrophobicContact CB-CB 4.39Å; A90-I98 HydrophobicContact CB-CD1 3.34Å; A90-I98 HydrophobicContact CB-CG1 3.6Å; A90-I98 HydrophobicContact CB-CG2 3.89Å; I98-E102 HydrophobicContact CG2-CB 3.95Å; I98-F103 HydrophobicContact CG2-CB 3.93Å
99G91.6Very high87.6Confident9 Ų953.1 Ų53.19%0.09332%0.315CS..EExtended strand (participates in β ladder)trans-72.3163.4171.700000112.7D101 E102 F103G99-D101 PolarHBondContact O-N 3.46Å; G99-E102 PolarHBondContact N-OE2 2.91Å; G99-E102 PolarHBondContact O-N 3Å; G99-F103 WeakPolarHBondContact O-CB 3.3Å; G99-F103 PolarHBondContact O-N 3.03Å
100A89.4Confident87.7Confident20 Ų2053.3 Ų53.317%0.16531%0.31CS..Hα-helixtrans-59.1-32.5176.800000113.3F48 Q104F48-A100 HydrophobicContact CD1-CB 3.91Å; F48-A100 HydrophobicContact CE1-CB 3.86Å; F48-A100 HydrophobicContact CE2-CB 4.46Å; F48-A100 HydrophobicContact CG-CB 4.26Å; F48-A100 HydrophobicContact CZ-CB 4.14Å; A100-Q104 WeakPolarHBondContact O-CG 3.48Å; A100-Q104 PolarHBondContact O-N 2.84Å; A100-Q104 VanDerWaalsContact O-N 3.14Å
101D89Confident87.7Confident117 Ų11756 Ų5663%0.62633%0.325SS*.Hα-helixtrans-74.3-43.1179.6-61.3-25.4000110.8G99 Q104 E105G99-D101 PolarHBondContact O-N 3.46Å; D101-Q104 WeakPolarHBondContact O-CB 3.48Å; D101-Q104 PolarHBondContact O-N 2.96Å; D101-E105 PolarHBondContact O-N 3.26Å
102E90.9Very high87.5Confident19 Ų1957.5 Ų57.59%0.08934%0.335CS..Hα-helixtrans-64.3-40.4174.7-69.2176.9128.500112.2A90 N92 D93 I98 G99 Q104 E105 M106A90-E102 WeakPolarHBondContact O-CB 3.37Å; N92-E102 PolarHBondContact N-OE1 3.27Å; D93-E102 PolarHBondContact N-OE1 3.45Å; I98-E102 HydrophobicContact CG2-CB 3.95Å; G99-E102 PolarHBondContact N-OE2 2.91Å; G99-E102 PolarHBondContact O-N 3Å; E102-Q104 VanDerWaalsContact C-N 3.29Å; E102-Q104 PolarHBondContact O-N 3.38Å; E102-E105 PolarHBondContact O-N 3.34Å; E102-M106 WeakPolarHBondContact O-CB 3.24Å; E102-M106 PolarHBondContact O-N 3.21Å
103F89.1Confident87.6Confident1 Ų154.3 Ų54.30%0.00432%0.319CS..Hα-helixtrans-60.8-40.7173.2-173.2-100.4000111.3F31 V44 V47 F48 I51 L59 F67 I98 G99 M106 V107F31-F103 AromaticContact CE1-CE2 3.95Å; F31-F103 HydrophobicContact CE1-CE2 3.95Å; F31-F103 AromaticContact CE1-CZ 3.79Å; F31-F103 HydrophobicContact CE1-CZ 3.79Å; F31-F103 AromaticContact CZ-CE2 3.73Å; F31-F103 HydrophobicContact CZ-CE2 3.73Å; F31-F103 HydrophobicContact CZ-CZ 4.06Å; V44-F103 HydrophobicContact CG1-CD1 3.58Å; V44-F103 HydrophobicContact CG1-CE1 3.68Å; V47-F103 HydrophobicContact CG1-CE1 4.3Å; V47-F103 HydrophobicContact CG1-CZ 4.29Å; F48-F103 HydrophobicContact CB-CD1 3.95Å; F48-F103 HydrophobicContact CB-CE1 4.23Å; F48-F103 HydrophobicContact CD2-CB 3.6Å; F48-F103 AromaticContact CD2-CD1 3.9Å; F48-F103 HydrophobicContact CD2-CD1 3.9Å; F48-F103 HydrophobicContact CD2-CD2 4.2Å; F48-F103 AromaticContact CD2-CG 3.64Å; F48-F103 HydrophobicContact CD2-CG 3.64Å; F48-F103 HydrophobicContact CE2-CB 3.98Å; F48-F103 HydrophobicContact CE2-CG 4.39Å; F48-F103 HydrophobicContact CG-CD1 4.41Å; I51-F103 HydrophobicContact CD1-CE2 4.19Å; I51-F103 HydrophobicContact CD1-CZ 3.81Å; L59-F103 HydrophobicContact CD1-CD2 4.14Å; L59-F103 HydrophobicContact CD1-CE2 4.37Å; F67-F103 HydrophobicContact CE2-CE2 4.06Å; F67-F103 HydrophobicContact CE2-CZ 4.46Å; I98-F103 HydrophobicContact CG2-CB 3.93Å; G99-F103 WeakPolarHBondContact O-CB 3.3Å; G99-F103 PolarHBondContact O-N 3.03Å; F103-M106 HydrophobicContact CD2-CE 3.44Å; F103-M106 VanDerWaalsContact CD2-CE 3.44Å; F103-M106 HydrophobicContact CE2-CE 3.75Å; F103-M106 HydrophobicContact CG-CE 4.33Å; F103-M106 PolarHBondContact O-N 3.15Å; F103-V107 HydrophobicContact CD1-CG2 4.05Å; F103-V107 HydrophobicContact CE1-CG2 3.77Å; F103-V107 HydrophobicContact CE2-CG2 4.44Å; F103-V107 HydrophobicContact CZ-CG2 3.97Å; F103-V107 WeakPolarHBondContact O-CB 3.33Å; F103-V107 WeakPolarHBondContact O-CG2 3.48Å; F103-V107 PolarHBondContact O-N 3.13Å
104Q88.5Confident87.5Confident41 Ų4150.9 Ų50.919%0.19230%0.303CS..Hα-helixtrans-64.5-43.7174.7-80-179.6-500112.4A41 V44 A100 D101 E102 V107 H108A41-Q104 PolarHBondContact O-NE2 3.31Å; V44-Q104 HydrophobicContact CB-CG 4.19Å; V44-Q104 HydrophobicContact CG1-CB 4.49Å; V44-Q104 HydrophobicContact CG1-CG 3.69Å; A100-Q104 WeakPolarHBondContact O-CG 3.48Å; A100-Q104 PolarHBondContact O-N 2.84Å; A100-Q104 VanDerWaalsContact O-N 3.14Å; D101-Q104 WeakPolarHBondContact O-CB 3.48Å; D101-Q104 PolarHBondContact O-N 2.96Å; E102-Q104 VanDerWaalsContact C-N 3.29Å; E102-Q104 PolarHBondContact O-N 3.38Å; Q104-V107 PolarHBondContact O-N 3.28Å; Q104-H108 WeakPolarHBondContact O-CB 3.1Å; Q104-H108 PolarHBondContact O-CD2 3.29Å; Q104-H108 VanDerWaalsContact O-CD2 3.28Å; Q104-H108 PolarHBondContact O-N 3.06Å
105E88.4Confident87.6Confident125 Ų12550.3 Ų50.358%0.58428%0.282SS*.Hα-helixtrans-60.1-46.9175.3-74-170.816800111.1D101 E102 V107 H108 S109D101-E105 PolarHBondContact O-N 3.26Å; E102-E105 PolarHBondContact O-N 3.34Å; E105-V107 VanDerWaalsContact C-N 3.33Å; E105-V107 PolarHBondContact O-N 2.92Å; E105-H108 CarbonylContact O-C 3.56Å; E105-H108 PolarHBondContact O-N 3.16Å; E105-S109 VanDerWaalsContact O-CB 3.26Å; E105-S109 WeakPolarHBondContact O-CB 3.42Å; E105-S109 PolarHBondContact O-N 2.88Å
106M88.1Confident87.5Confident11 Ų1148.6 Ų48.65%0.05427%0.274CS..Hα-helixtrans-59.7-41.2176.9179-176.352.200112.5P27 F31 L86 A90 E102 F103P27-M106 HydrophobicContact CB-SD 3.96Å; F31-M106 HydrophobicContact CD2-CE 4.49Å; F31-M106 HydrophobicContact CD2-CG 4.28Å; F31-M106 HydrophobicContact CE2-CE 3.35Å; F31-M106 HydrophobicContact CE2-CG 3.83Å; F31-M106 HydrophobicContact CE2-SD 3.59Å; F31-M106 VanDerWaalsContact CE2-SD 3.59Å; F31-M106 HydrophobicContact CZ-CE 3.47Å; F31-M106 VanDerWaalsContact CZ-CE 3.47Å; F31-M106 HydrophobicContact CZ-SD 4.27Å; L86-M106 HydrophobicContact CD1-CE 4.27Å; L86-M106 HydrophobicContact CD1-SD 3.74Å; A90-M106 HydrophobicContact CB-CB 4.45Å; A90-M106 HydrophobicContact CB-CE 4.13Å; A90-M106 HydrophobicContact CB-SD 3.63Å; E102-M106 WeakPolarHBondContact O-CB 3.24Å; E102-M106 PolarHBondContact O-N 3.21Å; F103-M106 HydrophobicContact CD2-CE 3.44Å; F103-M106 VanDerWaalsContact CD2-CE 3.44Å; F103-M106 HydrophobicContact CE2-CE 3.75Å; F103-M106 HydrophobicContact CG-CE 4.33Å; F103-M106 PolarHBondContact O-N 3.15Å
107V86.6Confident87.5Confident2 Ų249.7 Ų49.71%0.01227%0.268CS..Hα-helixtrans-70.9-32.4-179.4169.70000112.1F31 L36 S37 V44 F103 Q104 E105F31-V107 HydrophobicContact CD1-CG2 3.79Å; F31-V107 HydrophobicContact CD2-CG2 4.01Å; F31-V107 HydrophobicContact CE1-CG2 3.89Å; F31-V107 HydrophobicContact CE2-CG2 4.19Å; F31-V107 HydrophobicContact CG-CG2 3.85Å; F31-V107 HydrophobicContact CZ-CG2 4.12Å; L36-V107 HydrophobicContact CB-CG1 4.02Å; L36-V107 WeakPolarHBondContact O-CG1 3.28Å; S37-V107 VanDerWaalsContact CA-O 3.24Å; S37-V107 WeakPolarHBondContact CA-O 3.34Å; S37-V107 WeakPolarHBondContact CB-O 3.41Å; V44-V107 HydrophobicContact CG1-CB 4.16Å; V44-V107 HydrophobicContact CG1-CG1 4.21Å; V44-V107 HydrophobicContact CG1-CG2 4.07Å; V44-V107 HydrophobicContact CG2-CG1 3.82Å; F103-V107 HydrophobicContact CD1-CG2 4.05Å; F103-V107 HydrophobicContact CE1-CG2 3.77Å; F103-V107 HydrophobicContact CE2-CG2 4.44Å; F103-V107 HydrophobicContact CZ-CG2 3.97Å; F103-V107 WeakPolarHBondContact O-CB 3.33Å; F103-V107 WeakPolarHBondContact O-CG2 3.48Å; F103-V107 PolarHBondContact O-N 3.13Å; Q104-V107 PolarHBondContact O-N 3.28Å; E105-V107 VanDerWaalsContact C-N 3.33Å; E105-V107 PolarHBondContact O-N 2.92Å
108H82Confident87.3Confident92 Ų9246.8 Ų46.843%0.42626%0.259SS..Hα-helixtrans-97.50.6-179.5-72.6-59.3000114.7S37 M39 Q104 E105S37-H108 PolarHBondContact O-ND1 3.28Å; M39-H108 PolarHBondContact O-CE1 3.38Å; Q104-H108 WeakPolarHBondContact O-CB 3.1Å; Q104-H108 PolarHBondContact O-CD2 3.29Å; Q104-H108 VanDerWaalsContact O-CD2 3.28Å; Q104-H108 PolarHBondContact O-N 3.06Å; E105-H108 CarbonylContact O-C 3.56Å; E105-H108 PolarHBondContact O-N 3.16Å
109S72.4Confident86.9Confident124 Ų12451 Ų5187%0.86728%0.283SS*.  trans-71.10-179-176.10000114.2E105E105-S109 VanDerWaalsContact O-CB 3.26Å; E105-S109 WeakPolarHBondContact O-CB 3.42Å; E105-S109 PolarHBondContact O-N 2.88Å

Retrieved 109 of 109 residues in 79.8 ms (Link to these results)

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