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Bacilliredoxin SAOUHSC_01436

AlphaFold DB , UniProt , Accession Q2FYK4, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene n/a, Length 145 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
1M68.4Low85.9Confident171 Ų171102.9 Ų102.984%0.84252%0.518SS*.  0117.20-164.2172.2-64.300106.5D5 K9M1-D5 HydrophobicContact CG-CB 3.45Å; M1-D5 VanDerWaalsContact CG-CB 3.45Å; M1-D5 HydrophobicContact SD-CB 4.49Å; M1-K9 HydrophobicContact SD-CD 4.44Å
2N86.2Confident86.4Confident89 Ų8994.9 Ų94.948%0.47648%0.48SS..  trans-77.3170.6-178.971.640.7000109.9Y4 D5 A6N2-Y4 PolarHBondContact O-N 2.64Å; N2-Y4 WeakPolarHBondContact OD1-CA 3.4Å; N2-Y4 VanDerWaalsContact OD1-CB 3.24Å; N2-Y4 WeakPolarHBondContact OD1-CB 2.75Å; N2-Y4 PolarHBondContact OD1-N 3.36Å; N2-D5 VanDerWaalsContact CG-CG 3.47Å; N2-D5 VanDerWaalsContact CG-OD2 3.24Å; N2-D5 PolarHBondContact N-OD2 3.32Å; N2-D5 PolarHBondContact ND2-OD1 2.81Å; N2-D5 PolarHBondContact ND2-OD2 3.39Å; N2-D5 PolarHBondContact O-N 2.89Å; N2-D5 VanDerWaalsContact OD1-CG 3.22Å; N2-D5 PolarHBondContact OD1-N 2.95Å; N2-D5 PolarHBondContact OD1-OD1 3.45Å; N2-D5 PolarHBondContact OD1-OD2 3.32Å; N2-A6 PolarHBondContact O-N 2.99Å; N2-A6 VanDerWaalsContact O-N 3.15Å
3A90.2Very high86.9Confident87 Ų8796.2 Ų96.272%0.71948%0.483SS*.Hα-helixtrans-60.6-32.6-178.700000113.4Y7A3-Y7 WeakPolarHBondContact O-CB 3.48Å; A3-Y7 PolarHBondContact O-N 3.09Å
4Y85.8Confident87.5Confident153 Ų15399.4 Ų99.460%0.650%0.496SS*.Hα-helixtrans-68.1-44176.8174.5-92.1000111.6N2 A6 Y7 M8N2-Y4 PolarHBondContact O-N 2.64Å; N2-Y4 WeakPolarHBondContact OD1-CA 3.4Å; N2-Y4 VanDerWaalsContact OD1-CB 3.24Å; N2-Y4 WeakPolarHBondContact OD1-CB 2.75Å; N2-Y4 PolarHBondContact OD1-N 3.36Å; Y4-A6 VanDerWaalsContact C-N 3.3Å; Y4-A6 PolarHBondContact O-N 2.77Å; Y4-Y7 PolarHBondContact O-N 3.33Å; Y4-M8 HydrophobicContact CD1-CG 4.16Å; Y4-M8 HydrophobicContact CD2-CG 4.47Å; Y4-M8 HydrophobicContact CE1-CG 3.73Å; Y4-M8 HydrophobicContact CE2-CG 4.08Å; Y4-M8 HydrophobicContact CE2-SD 4.33Å; Y4-M8 WeakPolarHBondContact O-CB 3.49Å; Y4-M8 WeakPolarHBondContact O-CG 3.28Å; Y4-M8 PolarHBondContact O-N 3.47Å
5D85.6Confident88Confident70 Ų7095 Ų9537%0.37447%0.474SS..Hα-helixtrans-61.5-41.7177.5-55.9-26.8000110.9M1 N2 K9M1-D5 HydrophobicContact CG-CB 3.45Å; M1-D5 VanDerWaalsContact CG-CB 3.45Å; M1-D5 HydrophobicContact SD-CB 4.49Å; N2-D5 VanDerWaalsContact CG-CG 3.47Å; N2-D5 VanDerWaalsContact CG-OD2 3.24Å; N2-D5 PolarHBondContact N-OD2 3.32Å; N2-D5 PolarHBondContact ND2-OD1 2.81Å; N2-D5 PolarHBondContact ND2-OD2 3.39Å; N2-D5 PolarHBondContact O-N 2.89Å; N2-D5 VanDerWaalsContact OD1-CG 3.22Å; N2-D5 PolarHBondContact OD1-N 2.95Å; N2-D5 PolarHBondContact OD1-OD1 3.45Å; N2-D5 PolarHBondContact OD1-OD2 3.32Å; D5-K9 WeakPolarHBondContact O-CB 3.49Å; D5-K9 PolarHBondContact O-N 3.14Å
6A87.4Confident88.5Confident48 Ų4889.9 Ų89.940%0.39745%0.447SS..Hα-helixtrans-64.3-44.3177.200000111.8N2 Y4 K9 E10N2-A6 PolarHBondContact O-N 2.99Å; N2-A6 VanDerWaalsContact O-N 3.15Å; Y4-A6 VanDerWaalsContact C-N 3.3Å; Y4-A6 PolarHBondContact O-N 2.77Å; A6-K9 WeakPolarHBondContact O-CB 3.33Å; A6-K9 PolarHBondContact O-N 3.42Å; A6-E10 PolarHBondContact O-N 3.15Å
7Y88.6Confident89Confident138 Ų13885.1 Ų85.154%0.54143%0.425SS..Hα-helixtrans-62.6-45.8176.6177.1-111.6000112.4A3 Y4 K9 E10 I11A3-Y7 WeakPolarHBondContact O-CB 3.48Å; A3-Y7 PolarHBondContact O-N 3.09Å; Y4-Y7 PolarHBondContact O-N 3.33Å; Y7-K9 VanDerWaalsContact C-N 3.28Å; Y7-K9 PolarHBondContact O-N 3.44Å; Y7-E10 PolarHBondContact O-N 3.48Å; Y7-I11 HydrophobicContact CD1-CD1 4.06Å; Y7-I11 HydrophobicContact CE1-CD1 3.45Å; Y7-I11 VanDerWaalsContact CE1-CD1 3.45Å; Y7-I11 HydrophobicContact CE2-CD1 4.02Å; Y7-I11 HydrophobicContact CE2-CG1 4.4Å; Y7-I11 VanDerWaalsContact CZ-CD1 3.44Å; Y7-I11 PolarHBondContact O-N 3.1Å; Y7-I11 VanDerWaalsContact O-N 3.08Å
8M85.2Confident89.5Confident57 Ų5783.8 Ų83.828%0.28142%0.418SS..Hα-helixtrans-63.1-37176.8-71.7-56.8-60.600111.9Y4 I11 A12Y4-M8 HydrophobicContact CD1-CG 4.16Å; Y4-M8 HydrophobicContact CD2-CG 4.47Å; Y4-M8 HydrophobicContact CE1-CG 3.73Å; Y4-M8 HydrophobicContact CE2-CG 4.08Å; Y4-M8 HydrophobicContact CE2-SD 4.33Å; Y4-M8 WeakPolarHBondContact O-CB 3.49Å; Y4-M8 WeakPolarHBondContact O-CG 3.28Å; Y4-M8 PolarHBondContact O-N 3.47Å; M8-I11 PolarHBondContact O-N 3.01Å; M8-A12 WeakPolarHBondContact O-CB 3.46Å; M8-A12 PolarHBondContact O-N 2.84Å
9K86.5Confident90Very high130 Ų13079.4 Ų79.457%0.56540%0.396SS*.Hα-helixtrans-63.7-40.7174.9-172.8178-179.4179.30111.9M1 D5 A6 Y7 A12 Q13M1-K9 HydrophobicContact SD-CD 4.44Å; D5-K9 WeakPolarHBondContact O-CB 3.49Å; D5-K9 PolarHBondContact O-N 3.14Å; A6-K9 WeakPolarHBondContact O-CB 3.33Å; A6-K9 PolarHBondContact O-N 3.42Å; Y7-K9 VanDerWaalsContact C-N 3.28Å; Y7-K9 PolarHBondContact O-N 3.44Å; K9-A12 PolarHBondContact O-N 3.26Å; K9-Q13 WeakPolarHBondContact O-CB 3.39Å; K9-Q13 PolarHBondContact O-N 2.88Å
10E90.8Very high90.4Very high142 Ų14278.1 Ų78.166%0.66439%0.392SS*.Hα-helixtrans-64.8-45.1178.1-168.3173.8-169.500111.8A6 Y7 A12 Q13 Q14A6-E10 PolarHBondContact O-N 3.15Å; Y7-E10 PolarHBondContact O-N 3.48Å; E10-A12 PolarHBondContact O-N 2.84Å; E10-Q13 WeakPolarHBondContact O-CB 3.39Å; E10-Q13 PolarHBondContact O-N 3.1Å; E10-Q14 PolarHBondContact O-N 2.9Å
11I90.5Very high90.7Very high47 Ų4782.1 Ų82.124%0.24141%0.41CS..Hα-helixtrans-60.9-47.2174.8-68.4177.6000111.1Y7 M8 Q13 Q14 M15Y7-I11 HydrophobicContact CD1-CD1 4.06Å; Y7-I11 HydrophobicContact CE1-CD1 3.45Å; Y7-I11 VanDerWaalsContact CE1-CD1 3.45Å; Y7-I11 HydrophobicContact CE2-CD1 4.02Å; Y7-I11 HydrophobicContact CE2-CG1 4.4Å; Y7-I11 VanDerWaalsContact CZ-CD1 3.44Å; Y7-I11 PolarHBondContact O-N 3.1Å; Y7-I11 VanDerWaalsContact O-N 3.08Å; M8-I11 PolarHBondContact O-N 3.01Å; I11-Q13 PolarHBondContact O-N 3.31Å; I11-Q14 WeakPolarHBondContact O-CB 3.28Å; I11-Q14 PolarHBondContact O-N 2.8Å; I11-M15 HydrophobicContact CG2-CE 3.51Å; I11-M15 HydrophobicContact CG2-CG 4.5Å; I11-M15 HydrophobicContact CG2-SD 4.07Å; I11-M15 WeakPolarHBondContact O-CG 3.38Å; I11-M15 PolarHBondContact O-N 2.69Å
12A91.6Very high92.1Very high7 Ų777.4 Ų77.46%0.05839%0.388CS..Hα-helixtrans-59.9-39.5177.700000111M8 K9 E10 Q14 M15 R16 F83 Q86M8-A12 WeakPolarHBondContact O-CB 3.46Å; M8-A12 PolarHBondContact O-N 2.84Å; K9-A12 PolarHBondContact O-N 3.26Å; E10-A12 PolarHBondContact O-N 2.84Å; A12-Q14 VanDerWaalsContact C-N 3.33Å; A12-Q14 PolarHBondContact O-N 3.32Å; A12-M15 PolarHBondContact O-N 3Å; A12-R16 WeakPolarHBondContact O-CB 3.31Å; A12-R16 PolarHBondContact O-N 2.89Å; A12-F83 HydrophobicContact CB-CE2 4.21Å; A12-F83 HydrophobicContact CB-CZ 4.47Å; A12-F83 WeakPolarHBondContact O-CE2 3.35Å; A12-Q86 HydrophobicContact CB-CG 4.09Å
13Q93.6Very high92.6Very high112 Ų11275.6 Ų75.652%0.52339%0.391SS..Hα-helixtrans-63.9-38.7177.2-165.5649.900112.3K9 E10 I11 R16 G17K9-Q13 WeakPolarHBondContact O-CB 3.39Å; K9-Q13 PolarHBondContact O-N 2.88Å; E10-Q13 WeakPolarHBondContact O-CB 3.39Å; E10-Q13 PolarHBondContact O-N 3.1Å; I11-Q13 PolarHBondContact O-N 3.31Å; Q13-R16 PolarHBondContact O-N 3.3Å; Q13-G17 PolarHBondContact O-N 3.15Å
14Q94.2Very high93Very high141 Ų14171.7 Ų71.766%0.65936%0.357SS*.Hα-helixtrans-62.4-47.6173.5-176.4-179.3-24.400111.4E10 I11 A12 R16 G17 E18E10-Q14 PolarHBondContact O-N 2.9Å; I11-Q14 WeakPolarHBondContact O-CB 3.28Å; I11-Q14 PolarHBondContact O-N 2.8Å; A12-Q14 VanDerWaalsContact C-N 3.33Å; A12-Q14 PolarHBondContact O-N 3.32Å; Q14-R16 VanDerWaalsContact C-N 3.28Å; Q14-R16 PolarHBondContact O-N 2.89Å; Q14-G17 WeakPolarHBondContact O-CA 3.45Å; Q14-G17 PolarHBondContact O-N 2.84Å; Q14-G17 VanDerWaalsContact O-N 3.07Å; Q14-E18 PolarHBondContact O-N 2.79Å; Q14-E18 VanDerWaalsContact O-N 3.16Å
15M95.5Very high93.6Very high33 Ų3368.3 Ų68.316%0.16335%0.353CS..Hα-helixtrans-64.6-31.4179-66.4176.1176.300113.1I11 A12 N51 T53 R62 F83I11-M15 HydrophobicContact CG2-CE 3.51Å; I11-M15 HydrophobicContact CG2-CG 4.5Å; I11-M15 HydrophobicContact CG2-SD 4.07Å; I11-M15 WeakPolarHBondContact O-CG 3.38Å; I11-M15 PolarHBondContact O-N 2.69Å; A12-M15 PolarHBondContact O-N 3Å; M15-N51 PolarHBondContact O-ND2 2.55Å; M15-T53 HydrophobicContact SD-CG2 3.83Å; M15-R62 WeakPolarHBondContact O-CD 3.5Å; M15-F83 HydrophobicContact CB-CE2 4.07Å; M15-F83 HydrophobicContact CB-CZ 3.89Å; M15-F83 HydrophobicContact SD-CZ 4.23Å
16R96.9Very high94.2Very high14 Ų1466.3 Ų66.35%0.05334%0.344CS..Hα-helixtrans-69.1-43.4171.1-171-175.1-61.1-79.56.9110.5A12 Q13 Q14 E18 L19 T20 S26 E28 F83 D87A12-R16 WeakPolarHBondContact O-CB 3.31Å; A12-R16 PolarHBondContact O-N 2.89Å; Q13-R16 PolarHBondContact O-N 3.3Å; Q14-R16 VanDerWaalsContact C-N 3.28Å; Q14-R16 PolarHBondContact O-N 2.89Å; R16-E18 VanDerWaalsContact C-N 3.25Å; R16-E18 PolarHBondContact O-N 3.01Å; R16-L19 PolarHBondContact O-N 2.97Å; R16-T20 HydrophobicContact CG-CG2 3.9Å; R16-T20 PolarHBondContact O-N 3.43Å; R16-T20 PolarHBondContact O-OG1 3.13Å; R16-S26 WeakPolarHBondContact CD-OG 3.42Å; R16-S26 PolarHBondContact NH1-OG 2.89Å; R16-E28 WeakPolarHBondContact CD-OE1 3.43Å; R16-E28 IonicContact CZ-OE1 3.35Å; R16-E28 IonicContact NE-OE1 2.76Å; R16-E28 PolarHBondContact NE-OE1 3.22Å; R16-E28 IonicContact NH1-OE1 3.49Å; R16-E28 PolarHBondContact NH1-OE1 2.71Å; R16-F83 HydrophobicContact CB-CD2 4.3Å; R16-F83 HydrophobicContact CB-CE2 4.29Å; R16-D87 IonicContact CZ-OD2 2.95Å; R16-D87 IonicContact NH1-OD2 3.45Å; R16-D87 PolarHBondContact NH1-OD2 3.14Å; R16-D87 IonicContact NH2-OD1 3.38Å; R16-D87 PolarHBondContact NH2-OD1 3.22Å; R16-D87 IonicContact NH2-OD2 3.39Å; R16-D87 PolarHBondContact NH2-OD2 2.92Å
17G97Very high94.8Very high7 Ų764.5 Ų64.57%0.07233%0.328CS..Hα-helixtrans-54.3-37.5178.100000113.8Q13 Q14 L19 T20 Q21Q13-G17 PolarHBondContact O-N 3.15Å; Q14-G17 WeakPolarHBondContact O-CA 3.45Å; Q14-G17 PolarHBondContact O-N 2.84Å; Q14-G17 VanDerWaalsContact O-N 3.07Å; G17-L19 PolarHBondContact O-N 2.94Å; G17-L19 VanDerWaalsContact O-N 3.13Å; G17-T20 WeakPolarHBondContact CA-OG1 3.22Å; G17-T20 PolarHBondContact O-N 2.82Å; G17-Q21 WeakPolarHBondContact O-CB 3.44Å; G17-Q21 WeakPolarHBondContact O-CG 3.23Å; G17-Q21 PolarHBondContact O-N 3.04Å
18E97.3Very high95.2Very high63 Ų6362.3 Ų62.329%0.29432%0.323SS..Hα-helixtrans-56.8-29177-70.7176.7-138.700113.4Q14 R16 N22 R62Q14-E18 PolarHBondContact O-N 2.79Å; Q14-E18 VanDerWaalsContact O-N 3.16Å; R16-E18 VanDerWaalsContact C-N 3.25Å; R16-E18 PolarHBondContact O-N 3.01Å; E18-N22 PolarHBondContact O-ND2 3.25Å; E18-R62 VanDerWaalsContact CD-NE 3.32Å; E18-R62 IonicContact OE1-CZ 2.73Å; E18-R62 IonicContact OE1-NE 2.76Å; E18-R62 IonicContact OE1-NH2 2.81Å; E18-R62 PolarHBondContact OE1-NH2 3.25Å; E18-R62 IonicContact OE2-CZ 3.32Å; E18-R62 VanDerWaalsContact OE2-CZ 3.23Å; E18-R62 IonicContact OE2-NE 2.71Å; E18-R62 PolarHBondContact OE2-NE 2.96Å; E18-R62 IonicContact OE2-NH2 3.98Å; E18-R62 PolarHBondContact OE2-NH2 3.47Å
19L98.3Very high95.8Very high0 Ų062.6 Ų62.60%033%0.327CS..Hα-helixtrans-95.4-47.2174.7-65.1174.9000111.7R16 G17 Q21 N22 G23 F24 V49 N51 R62 V66 T81R16-L19 PolarHBondContact O-N 2.97Å; G17-L19 PolarHBondContact O-N 2.94Å; G17-L19 VanDerWaalsContact O-N 3.13Å; L19-Q21 VanDerWaalsContact C-N 3.33Å; L19-Q21 PolarHBondContact O-N 2.84Å; L19-N22 CarbonylContact O-C 3.51Å; L19-N22 WeakPolarHBondContact O-CA 3.34Å; L19-N22 PolarHBondContact O-N 3.21Å; L19-G23 PolarHBondContact O-N 2.87Å; L19-F24 HydrophobicContact CB-CB 3.92Å; L19-F24 HydrophobicContact CB-CD2 4.23Å; L19-F24 HydrophobicContact CB-CG 4.09Å; L19-F24 HydrophobicContact CD2-CD2 4.21Å; L19-F24 HydrophobicContact CD2-CE2 4.31Å; L19-F24 HydrophobicContact CD2-CG 4.42Å; L19-F24 WeakPolarHBondContact O-CB 3.37Å; L19-F24 WeakPolarHBondContact O-CD2 3.17Å; L19-F24 PolarHBondContact O-N 2.89Å; L19-V49 HydrophobicContact CD1-CB 4.06Å; L19-V49 HydrophobicContact CD1-CG1 3.71Å; L19-V49 HydrophobicContact CD2-CG1 4.43Å; L19-N51 HydrophobicContact CD1-CB 3.99Å; L19-R62 HydrophobicContact CD1-CG 4.17Å; L19-R62 HydrophobicContact CD2-CB 4.04Å; L19-R62 HydrophobicContact CD2-CG 4.01Å; L19-R62 HydrophobicContact CG-CB 4.44Å; L19-R62 HydrophobicContact CG-CG 4.01Å; L19-V66 HydrophobicContact CD2-CG2 4.05Å; L19-T81 HydrophobicContact CB-CG2 4.32Å; L19-T81 HydrophobicContact CD1-CG2 4.09Å; L19-T81 WeakPolarHBondContact CD1-OG1 3.38Å
20T97.9Very high96.4Very high52 Ų5257.8 Ų57.832%0.31931%0.311SS..Hα-helixtrans-68.4-31.3-17358.90000113.4R16 G17 N22 G23 F24R16-T20 HydrophobicContact CG-CG2 3.9Å; R16-T20 PolarHBondContact O-N 3.43Å; R16-T20 PolarHBondContact O-OG1 3.13Å; G17-T20 WeakPolarHBondContact CA-OG1 3.22Å; G17-T20 PolarHBondContact O-N 2.82Å; T20-N22 PolarHBondContact O-N 3.37Å; T20-G23 PolarHBondContact O-N 3.41Å; T20-F24 WeakPolarHBondContact CA-O 3.45Å; T20-F24 WeakPolarHBondContact CG2-O 3.2Å
21Q97.4Very high96.8Very high164 Ų16456.2 Ų56.277%0.76630%0.303SS*.THydrogen-bonded Turntrans-70.9-14.9172.6-63.6173.58.400112.6G17 L19G17-Q21 WeakPolarHBondContact O-CB 3.44Å; G17-Q21 WeakPolarHBondContact O-CG 3.23Å; G17-Q21 PolarHBondContact O-N 3.04Å; L19-Q21 VanDerWaalsContact C-N 3.33Å; L19-Q21 PolarHBondContact O-N 2.84Å
22N97.5Very high97.2Very high71 Ų7155.4 Ų55.438%0.3830%0.304SS..THydrogen-bonded Turntrans-108.426.8177.7-69.2-71.5000112.3E18 L19 T20 V66E18-N22 PolarHBondContact O-ND2 3.25Å; L19-N22 CarbonylContact O-C 3.51Å; L19-N22 WeakPolarHBondContact O-CA 3.34Å; L19-N22 PolarHBondContact O-N 3.21Å; T20-N22 PolarHBondContact O-N 3.37Å; N22-V66 HydrophobicContact CB-CB 4.37Å; N22-V66 HydrophobicContact CB-CG1 3.74Å; N22-V66 HydrophobicContact CB-CG2 3.75Å; N22-V66 VanDerWaalsContact CG-CG1 3.47Å
23G97.1Very high97.5Very high52 Ų5255.1 Ų55.154%0.53630%0.301SS..THydrogen-bonded Turntrans90.7-2.4168.700000115.9L19 T20 T25 T79L19-G23 PolarHBondContact O-N 2.87Å; T20-G23 PolarHBondContact O-N 3.41Å; G23-T25 PolarHBondContact O-N 3.35Å; G23-T79 PolarHBondContact O-OG1 3.34Å; G23-T79 VanDerWaalsContact O-OG1 3.14Å
24F98.6Very high97.8Very high4 Ų451.4 Ų51.42%0.01829%0.287CS..PPolyproline II helixtrans-76.4125.4177.1-71-104000111.2L19 T20 F47 V49 A65 V66 A69 T79 T81L19-F24 HydrophobicContact CB-CB 3.92Å; L19-F24 HydrophobicContact CB-CD2 4.23Å; L19-F24 HydrophobicContact CB-CG 4.09Å; L19-F24 HydrophobicContact CD2-CD2 4.21Å; L19-F24 HydrophobicContact CD2-CE2 4.31Å; L19-F24 HydrophobicContact CD2-CG 4.42Å; L19-F24 WeakPolarHBondContact O-CB 3.37Å; L19-F24 WeakPolarHBondContact O-CD2 3.17Å; L19-F24 PolarHBondContact O-N 2.89Å; T20-F24 WeakPolarHBondContact CA-O 3.45Å; T20-F24 WeakPolarHBondContact CG2-O 3.2Å; F24-F47 AromaticContact CE1-CD1 3.64Å; F24-F47 HydrophobicContact CE1-CD1 3.64Å; F24-F47 AromaticContact CE1-CE1 3.89Å; F24-F47 HydrophobicContact CE1-CE1 3.89Å; F24-F47 AromaticContact CZ-CD1 3.86Å; F24-F47 HydrophobicContact CZ-CD1 3.86Å; F24-F47 AromaticContact CZ-CE1 3.88Å; F24-F47 HydrophobicContact CZ-CE1 3.88Å; F24-V49 HydrophobicContact CD1-CG2 4.09Å; F24-V49 HydrophobicContact CE1-CB 4.39Å; F24-V49 HydrophobicContact CE1-CG2 3.46Å; F24-V49 VanDerWaalsContact CE1-CG2 3.46Å; F24-V49 HydrophobicContact CZ-CG2 4.1Å; F24-A65 HydrophobicContact CZ-CB 4.29Å; F24-V66 HydrophobicContact CE2-CG2 4.34Å; F24-A69 HydrophobicContact CE2-CB 4.22Å; F24-A69 HydrophobicContact CZ-CB 3.93Å; F24-T79 WeakPolarHBondContact CA-O 3.16Å; F24-T79 HydrophobicContact CE1-CG2 4.13Å; F24-T79 HydrophobicContact CZ-CG2 4.2Å; F24-T81 HydrophobicContact CB-CG2 4.26Å
25T98.5Very high98Very high83 Ų8350.3 Ų50.351%0.50928%0.282SS..EExtended strand (participates in β ladder)trans-75.3127.2171.4-55.60000110.6G23 L27 T79 V80 T81G23-T25 PolarHBondContact O-N 3.35Å; T25-L27 HydrophobicContact CG2-CD2 4.26Å; T25-T79 PolarHBondContact N-O 3.19Å; T25-V80 CarbonylContact O-C 3.35Å; T25-V80 VanDerWaalsContact O-CA 3.22Å; T25-V80 WeakPolarHBondContact O-CA 3.33Å; T25-T81 PolarHBondContact O-N 3.42Å
26S98.4Very high98.1Very high27 Ų2751 Ų5119%0.18928%0.283CS..EExtended strand (participates in β ladder)trans-82.8117.3177.6-173.50000110.4R16 E28R16-S26 WeakPolarHBondContact CD-OG 3.42Å; R16-S26 PolarHBondContact NH1-OG 2.89Å; S26-E28 WeakPolarHBondContact CB-OE1 3.02Å; S26-E28 WeakPolarHBondContact OG-CG 3.41Å; S26-E28 PolarHBondContact OG-OE1 3.27Å
27L98.7Very high98.2Very high11 Ų1150.3 Ų50.36%0.05828%0.281CS..  trans-100.7104175.3-55.1177.7000108.6T25 V33 Y36 V80 T81 V82 A90 M94T25-L27 HydrophobicContact CG2-CD2 4.26Å; L27-V33 HydrophobicContact CB-CG2 3.7Å; L27-V33 HydrophobicContact CD1-CG2 4.18Å; L27-Y36 HydrophobicContact CD1-CD1 3.94Å; L27-Y36 HydrophobicContact CD1-CG 3.95Å; L27-Y36 HydrophobicContact CD2-CG 4.44Å; L27-V80 HydrophobicContact CD1-CB 3.98Å; L27-V80 HydrophobicContact CD1-CG1 4.33Å; L27-V80 HydrophobicContact CD1-CG2 4.02Å; L27-V80 HydrophobicContact CG-CB 4.26Å; L27-T81 PolarHBondContact N-O 2.92Å; L27-V82 HydrophobicContact CB-CG1 4.13Å; L27-A90 WeakPolarHBondContact O-CB 3.45Å; L27-M94 HydrophobicContact CD1-CE 4.05Å
28E98.1Very high98.2Very high92 Ų9254.8 Ų54.843%0.4330%0.303SS..  trans-104.6-9.5-164.6-57.9-173.2-176.400114.1R16 S26R16-E28 WeakPolarHBondContact CD-OE1 3.43Å; R16-E28 IonicContact CZ-OE1 3.35Å; R16-E28 IonicContact NE-OE1 2.76Å; R16-E28 PolarHBondContact NE-OE1 3.22Å; R16-E28 IonicContact NH1-OE1 3.49Å; R16-E28 PolarHBondContact NH1-OE1 2.71Å; S26-E28 WeakPolarHBondContact CB-OE1 3.02Å; S26-E28 WeakPolarHBondContact OG-CG 3.41Å; S26-E28 PolarHBondContact OG-OE1 3.27Å
29T98.6Very high98.2Very high62 Ų6258.8 Ų58.838%0.3832%0.322SS..SBendtrans-127.3161.9176.380.50000112.2E31 A32 V33T29-E31 VanDerWaalsContact C-N 3.26Å; T29-E31 VanDerWaalsContact CB-OE2 3.23Å; T29-E31 WeakPolarHBondContact CB-OE2 3.4Å; T29-E31 PolarHBondContact O-N 2.9Å; T29-E31 PolarHBondContact OG1-N 2.95Å; T29-E31 PolarHBondContact OG1-OE2 3.26Å; T29-A32 PolarHBondContact O-N 2.84Å; T29-A32 PolarHBondContact OG1-N 2.83Å; T29-A32 VanDerWaalsContact OG1-N 3.07Å; T29-V33 PolarHBondContact O-N 3.01Å; T29-V33 VanDerWaalsContact O-N 3.16Å
30S98.6Very high98.2Very high30 Ų3059.8 Ų59.821%0.2133%0.328CS..Hα-helixtrans-58.9-40.6174.2179.20000111.5V33 S34 T93S30-V33 PolarHBondContact O-N 3.07Å; S30-S34 WeakPolarHBondContact O-CB 3.19Å; S30-S34 PolarHBondContact O-N 2.97Å; S30-S34 PolarHBondContact O-OG 3.48Å; S30-T93 WeakPolarHBondContact CB-OG1 3.49Å; S30-T93 PolarHBondContact OG-OG1 2.93Å
31E98.6Very high98.2Very high109 Ų10962.2 Ų62.251%0.50934%0.339SS..Hα-helixtrans-64.8-46.8178.7-58.373-158.400110.5T29 V33 S34 E35T29-E31 VanDerWaalsContact C-N 3.26Å; T29-E31 VanDerWaalsContact CB-OE2 3.23Å; T29-E31 WeakPolarHBondContact CB-OE2 3.4Å; T29-E31 PolarHBondContact O-N 2.9Å; T29-E31 PolarHBondContact OG1-N 2.95Å; T29-E31 PolarHBondContact OG1-OE2 3.26Å; E31-V33 VanDerWaalsContact C-N 3.27Å; E31-V33 PolarHBondContact O-N 3.33Å; E31-S34 PolarHBondContact O-N 3.23Å; E31-S34 VanDerWaalsContact O-N 3.16Å; E31-E35 WeakPolarHBondContact O-CB 3.44Å; E31-E35 WeakPolarHBondContact O-CG 3.44Å; E31-E35 PolarHBondContact O-N 3.29Å
32A98.6Very high98.1Very high30 Ų3058.1 Ų58.125%0.24833%0.333CS..Hα-helixtrans-58.9-39.5178.600000111.9T29 Y36T29-A32 PolarHBondContact O-N 2.84Å; T29-A32 PolarHBondContact OG1-N 2.83Å; T29-A32 VanDerWaalsContact OG1-N 3.07Å; A32-Y36 WeakPolarHBondContact O-CB 3.4Å; A32-Y36 PolarHBondContact O-N 2.95Å; A32-Y36 VanDerWaalsContact O-N 3.1Å
33V98.8Very high98Very high0 Ų061.2 Ų61.20%035%0.349CS..Hα-helixtrans-67.7-48.1175173.10000111.6L27 T29 S30 E31 Y36 M37 V82 A90 T93 M94 F97L27-V33 HydrophobicContact CB-CG2 3.7Å; L27-V33 HydrophobicContact CD1-CG2 4.18Å; T29-V33 PolarHBondContact O-N 3.01Å; T29-V33 VanDerWaalsContact O-N 3.16Å; S30-V33 PolarHBondContact O-N 3.07Å; E31-V33 VanDerWaalsContact C-N 3.27Å; E31-V33 PolarHBondContact O-N 3.33Å; V33-Y36 PolarHBondContact O-N 3.01Å; V33-M37 HydrophobicContact CG1-CG 4.31Å; V33-M37 WeakPolarHBondContact O-CB 3.38Å; V33-M37 WeakPolarHBondContact O-CG 3.2Å; V33-M37 PolarHBondContact O-N 3.43Å; V33-V82 HydrophobicContact CG2-CG1 3.84Å; V33-A90 HydrophobicContact CG2-CB 4Å; V33-T93 HydrophobicContact CB-CG2 4.14Å; V33-T93 HydrophobicContact CG1-CG2 3.87Å; V33-M94 HydrophobicContact CG1-CB 3.97Å; V33-M94 HydrophobicContact CG1-CE 3.84Å; V33-M94 HydrophobicContact CG1-SD 4.39Å; V33-M94 HydrophobicContact CG2-CE 4.49Å; V33-F97 HydrophobicContact CG1-CD2 4.4Å; V33-F97 HydrophobicContact CG1-CE2 4.4Å
34S98.5Very high98.1Very high35 Ų3560.5 Ų60.525%0.24533%0.334CS..Hα-helixtrans-63.4-45-178.3-59.40000111.7S30 E31 N38 T93S30-S34 WeakPolarHBondContact O-CB 3.19Å; S30-S34 PolarHBondContact O-N 2.97Å; S30-S34 PolarHBondContact O-OG 3.48Å; E31-S34 PolarHBondContact O-N 3.23Å; E31-S34 VanDerWaalsContact O-N 3.16Å; S34-N38 VanDerWaalsContact O-CB 3.24Å; S34-N38 WeakPolarHBondContact O-CB 3.31Å; S34-N38 VanDerWaalsContact O-CG 3.27Å; S34-N38 PolarHBondContact O-N 3.41Å; S34-N38 PolarHBondContact O-ND2 3.31Å; S34-T93 WeakPolarHBondContact OG-CG2 3.39Å
35E98.3Very high98.1Very high118 Ų11860.7 Ų60.755%0.55134%0.335SS*.Hα-helixtrans-61.6-48.2176.9-73.8178.5176.300110.5E31 N38 Q39E31-E35 WeakPolarHBondContact O-CB 3.44Å; E31-E35 WeakPolarHBondContact O-CG 3.44Å; E31-E35 PolarHBondContact O-N 3.29Å; E35-N38 PolarHBondContact O-N 2.8Å; E35-Q39 VanDerWaalsContact O-CB 3.28Å; E35-Q39 WeakPolarHBondContact O-CB 3.43Å; E35-Q39 WeakPolarHBondContact O-CG 3.28Å; E35-Q39 PolarHBondContact O-N 3.03Å
36Y98.5Very high98.1Very high46 Ų4656.7 Ų56.718%0.1831%0.311CS..Hα-helixtrans-57.8-53.8178.1176.7-91000112.1L27 A32 V33 N38 Q39 V40 T46 N78 V80L27-Y36 HydrophobicContact CD1-CD1 3.94Å; L27-Y36 HydrophobicContact CD1-CG 3.95Å; L27-Y36 HydrophobicContact CD2-CG 4.44Å; A32-Y36 WeakPolarHBondContact O-CB 3.4Å; A32-Y36 PolarHBondContact O-N 2.95Å; A32-Y36 VanDerWaalsContact O-N 3.1Å; V33-Y36 PolarHBondContact O-N 3.01Å; Y36-N38 VanDerWaalsContact C-N 3.31Å; Y36-N38 PolarHBondContact O-N 2.82Å; Y36-Q39 PolarHBondContact O-N 2.9Å; Y36-V40 PolarHBondContact O-N 3.06Å; Y36-T46 HydrophobicContact CE1-CG2 3.74Å; Y36-T46 WeakPolarHBondContact OH-CG2 3.44Å; Y36-T46 PolarHBondContact OH-OG1 2.96Å; Y36-N78 WeakPolarHBondContact OH-CB 3.27Å; Y36-V80 HydrophobicContact CD2-CG1 4.42Å; Y36-V80 HydrophobicContact CE1-CG1 4.07Å; Y36-V80 HydrophobicContact CE1-CG2 4.28Å; Y36-V80 HydrophobicContact CE2-CG1 3.79Å
37M98.3Very high98.1Very high0 Ų055.4 Ų55.40%030%0.302CS..Hα-helixtrans-67.5-30.1-176.9-68.4-57.9-63.100112.8V33 V40 M94 F97 F110 Q113V33-M37 HydrophobicContact CG1-CG 4.31Å; V33-M37 WeakPolarHBondContact O-CB 3.38Å; V33-M37 WeakPolarHBondContact O-CG 3.2Å; V33-M37 PolarHBondContact O-N 3.43Å; M37-V40 WeakPolarHBondContact O-CG1 3.48Å; M37-M94 HydrophobicContact CG-CE 4.37Å; M37-M94 HydrophobicContact SD-CE 4.2Å; M37-M94 HydrophobicContact SD-SD 4.36Å; M37-F97 HydrophobicContact CB-CD1 3.89Å; M37-F97 HydrophobicContact CB-CD2 4.16Å; M37-F97 HydrophobicContact CB-CE1 3.56Å; M37-F97 HydrophobicContact CB-CE2 3.86Å; M37-F97 HydrophobicContact CB-CG 4.19Å; M37-F97 HydrophobicContact CB-CZ 3.55Å; M37-F97 HydrophobicContact CE-CB 4.2Å; M37-F97 HydrophobicContact CE-CD1 4.11Å; M37-F97 HydrophobicContact CE-CG 4.21Å; M37-F97 HydrophobicContact CG-CD1 4.18Å; M37-F97 HydrophobicContact CG-CD2 3.9Å; M37-F97 HydrophobicContact CG-CE1 4.28Å; M37-F97 HydrophobicContact CG-CE2 4.01Å; M37-F97 HydrophobicContact CG-CG 3.99Å; M37-F97 HydrophobicContact CG-CZ 4.2Å; M37-F110 HydrophobicContact CE-CD1 3.92Å; M37-F110 HydrophobicContact CE-CD2 4.3Å; M37-F110 HydrophobicContact CE-CE1 4.02Å; M37-F110 HydrophobicContact CE-CE2 4.38Å; M37-F110 HydrophobicContact CE-CG 4.06Å; M37-F110 HydrophobicContact CE-CZ 4.24Å; M37-Q113 WeakPolarHBondContact O-CG 3.37Å; M37-Q113 PolarHBondContact O-NE2 3.37Å; M37-Q113 VanDerWaalsContact O-NE2 3.14Å
38N97.7Very high98.1Very high101 Ų10154.9 Ų54.954%0.5430%0.299SS..Hα-helixtrans-80.4-18.7177.2-73.3-51.3000113.6S34 E35 Y36S34-N38 VanDerWaalsContact O-CB 3.24Å; S34-N38 WeakPolarHBondContact O-CB 3.31Å; S34-N38 VanDerWaalsContact O-CG 3.27Å; S34-N38 PolarHBondContact O-N 3.41Å; S34-N38 PolarHBondContact O-ND2 3.31Å; E35-N38 PolarHBondContact O-N 2.8Å; Y36-N38 VanDerWaalsContact C-N 3.31Å; Y36-N38 PolarHBondContact O-N 2.82Å
39Q97.7Very high98.2Very high148 Ų14850.6 Ų50.669%0.69228%0.279SS*.Hα-helixtrans-103.2-11.7-178.2-68.1177700113.8E35 Y36 N41E35-Q39 VanDerWaalsContact O-CB 3.28Å; E35-Q39 WeakPolarHBondContact O-CB 3.43Å; E35-Q39 WeakPolarHBondContact O-CG 3.28Å; E35-Q39 PolarHBondContact O-N 3.03Å; Y36-Q39 PolarHBondContact O-N 2.9Å; Q39-N41 PolarHBondContact O-N 3.43Å
40V97.5Very high98.2Very high21 Ų2147.7 Ų47.713%0.12726%0.261CS..SBendtrans-59.6134.4175.971.60000110.4Y36 M37 D44 G112 Q113Y36-V40 PolarHBondContact O-N 3.06Å; M37-V40 WeakPolarHBondContact O-CG1 3.48Å; V40-D44 HydrophobicContact CG2-CB 3.93Å; V40-G112 WeakPolarHBondContact CG1-O 3.5Å; V40-Q113 HydrophobicContact CG1-CG 4.29Å
41N97.7Very high98.1Very high103 Ų10346.3 Ų46.355%0.55125%0.251SS*.  trans-68.1146.9177.6-58.8-65000110Q39 D43 D44 G112Q39-N41 PolarHBondContact O-N 3.43Å; N41-D43 PolarHBondContact O-N 3.08Å; N41-D43 VanDerWaalsContact O-N 3.13Å; N41-D44 HydrophobicContact CB-CB 4.32Å; N41-D44 WeakPolarHBondContact CB-OD2 3.04Å; N41-D44 PolarHBondContact ND2-OD2 3.14Å; N41-D44 PolarHBondContact O-N 3Å; N41-G112 WeakPolarHBondContact O-CA 3.43Å
42A96.3Very high98Very high78 Ų7841.3 Ų41.365%0.64523%0.228SC*.THydrogen-bonded Turntrans-59.5-27.4-178.800000113.8G112A42-G112 PolarHBondContact O-N 2.65Å
43D95.9Very high97.8Very high135 Ų13542.9 Ų42.972%0.72224%0.235SC*.THydrogen-bonded Turntrans-89.3-14.9179.3-64.7-43.4000113.4N41N41-D43 PolarHBondContact O-N 3.08Å; N41-D43 VanDerWaalsContact O-N 3.13Å
44D98Very high97.4Very high38 Ų3844.7 Ų44.720%0.20325%0.247CC..  trans-75.5144.2-179.1-74.5-21.6000111V40 N41 T77 K111 G112V40-D44 HydrophobicContact CG2-CB 3.93Å; N41-D44 HydrophobicContact CB-CB 4.32Å; N41-D44 WeakPolarHBondContact CB-OD2 3.04Å; N41-D44 PolarHBondContact ND2-OD2 3.14Å; N41-D44 PolarHBondContact O-N 3Å; D44-T77 HydrophobicContact CB-CG2 4.34Å; D44-K111 CarbonylContact O-C 3.47Å; D44-K111 WeakPolarHBondContact O-CA 3.49Å; D44-G112 PolarHBondContact O-N 3.35Å
45T98.5Very high96.7Very high7 Ų746 Ų464%0.04327%0.266CS..EExtended strand (participates in β ladder)trans-103.7136.6172.745.50000111.1P76 T77 N78 F110 K111T45-P76 VanDerWaalsContact OG1-CA 3.28Å; T45-P76 WeakPolarHBondContact OG1-CA 3.37Å; T45-T77 PolarHBondContact N-OG1 3.35Å; T45-T77 WeakPolarHBondContact O-CB 3.35Å; T45-T77 PolarHBondContact O-N 3.34Å; T45-T77 PolarHBondContact OG1-N 2.9Å; T45-T77 VanDerWaalsContact OG1-N 3.07Å; T45-N78 PolarHBondContact O-N 2.81Å; T45-F110 CarbonylContact C-O 3.57Å; T45-F110 WeakPolarHBondContact CA-O 3.4Å; T45-K111 HydrophobicContact CG2-CB 4.26Å; T45-K111 HydrophobicContact CG2-CG 4.27Å
46T98.7Very high96.2Very high0 Ų041.2 Ų41.20%025%0.246CC..EExtended strand (participates in β ladder)trans-124.6119.6179.8-62.10000111Y36 V48 N78 V80 L109 F110Y36-T46 HydrophobicContact CE1-CG2 3.74Å; Y36-T46 WeakPolarHBondContact OH-CG2 3.44Å; Y36-T46 PolarHBondContact OH-OG1 2.96Å; T46-V48 HydrophobicContact CG2-CG2 3.87Å; T46-N78 WeakPolarHBondContact CA-O 3.26Å; T46-N78 HydrophobicContact CG2-CB 4.31Å; T46-V80 HydrophobicContact CG2-CG1 4.4Å; T46-V80 HydrophobicContact CG2-CG2 3.73Å; T46-L109 WeakPolarHBondContact O-CA 3.43Å; T46-F110 PolarHBondContact N-O 2.94Å; T46-F110 PolarHBondContact O-N 2.92Å
47F98.8Very high95.7Very high0 Ų039 Ų390%024%0.237CC..EExtended strand (participates in β ladder)trans-93.5119.3169.7179.8-126.2000110.8F24 V49 A65 P76 N78 T79 V80 Y107 A108 L109 L136 F140F24-F47 AromaticContact CE1-CD1 3.64Å; F24-F47 HydrophobicContact CE1-CD1 3.64Å; F24-F47 AromaticContact CE1-CE1 3.89Å; F24-F47 HydrophobicContact CE1-CE1 3.89Å; F24-F47 AromaticContact CZ-CD1 3.86Å; F24-F47 HydrophobicContact CZ-CD1 3.86Å; F24-F47 AromaticContact CZ-CE1 3.88Å; F24-F47 HydrophobicContact CZ-CE1 3.88Å; F47-V49 HydrophobicContact CD1-CG2 4.29Å; F47-V49 HydrophobicContact CE1-CG2 3.68Å; F47-V49 HydrophobicContact CZ-CG2 3.98Å; F47-A65 HydrophobicContact CE1-CB 3.83Å; F47-A65 HydrophobicContact CZ-CB 4.12Å; F47-P76 HydrophobicContact CB-CB 3.78Å; F47-P76 HydrophobicContact CB-CG 3.53Å; F47-P76 HydrophobicContact CG-CG 4.47Å; F47-N78 PolarHBondContact N-O 2.98Å; F47-T79 HydrophobicContact CB-CG2 4.43Å; F47-T79 HydrophobicContact CD1-CG2 4.49Å; F47-T79 WeakPolarHBondContact O-CA 3.47Å; F47-V80 PolarHBondContact O-N 2.92Å; F47-Y107 HydrophobicContact CE2-CD1 4.15Å; F47-Y107 HydrophobicContact CE2-CG 4.06Å; F47-Y107 AromaticContact CZ-CD1 3.77Å; F47-Y107 HydrophobicContact CZ-CD1 3.77Å; F47-Y107 HydrophobicContact CZ-CE1 4.26Å; F47-Y107 HydrophobicContact CZ-CG 4.05Å; F47-A108 WeakPolarHBondContact CD2-O 3.35Å; F47-L109 HydrophobicContact CB-CD1 3.99Å; F47-L109 HydrophobicContact CD2-CD1 4.48Å; F47-L136 HydrophobicContact CE2-CD2 3.67Å; F47-L136 HydrophobicContact CZ-CD1 4.23Å; F47-L136 HydrophobicContact CZ-CD2 3.82Å; F47-F140 HydrophobicContact CB-CE1 4.26Å; F47-F140 HydrophobicContact CB-CZ 4.09Å; F47-F140 HydrophobicContact CD1-CE1 4.47Å; F47-F140 AromaticContact CD1-CZ 3.75Å; F47-F140 HydrophobicContact CD1-CZ 3.75Å; F47-F140 AromaticContact CD2-CE1 3.69Å; F47-F140 HydrophobicContact CD2-CE1 3.69Å; F47-F140 AromaticContact CD2-CZ 3.8Å; F47-F140 HydrophobicContact CD2-CZ 3.8Å; F47-F140 HydrophobicContact CE1-CZ 4.04Å; F47-F140 HydrophobicContact CE2-CE1 4.04Å; F47-F140 HydrophobicContact CE2-CZ 4.06Å; F47-F140 AromaticContact CG-CE1 3.92Å; F47-F140 HydrophobicContact CG-CE1 3.92Å; F47-F140 AromaticContact CG-CZ 3.63Å; F47-F140 HydrophobicContact CG-CZ 3.63Å; F47-F140 HydrophobicContact CZ-CZ 4.19Å
48V98.9Very high95.2Very high0 Ų040.9 Ų40.90%025%0.252CS..EExtended strand (participates in β ladder)trans-108.6122.4-178.6-173.10000109.5T46 I50 V80 M94 Y107 A108 F110T46-V48 HydrophobicContact CG2-CG2 3.87Å; V48-I50 HydrophobicContact CG1-CD1 4.15Å; V48-V80 WeakPolarHBondContact CA-O 2.98Å; V48-V80 HydrophobicContact CB-CG2 4.19Å; V48-V80 HydrophobicContact CG1-CG2 4.17Å; V48-V80 HydrophobicContact CG2-CG2 3.67Å; V48-M94 HydrophobicContact CG1-CE 3.92Å; V48-M94 HydrophobicContact CG1-CG 4.02Å; V48-M94 HydrophobicContact CG1-SD 4.02Å; V48-M94 HydrophobicContact CG2-CE 4.14Å; V48-M94 HydrophobicContact CG2-SD 4.19Å; V48-Y107 WeakPolarHBondContact O-CA 3.35Å; V48-A108 HydrophobicContact CB-CB 4.23Å; V48-A108 PolarHBondContact N-O 2.88Å; V48-A108 PolarHBondContact O-N 3.21Å; V48-F110 HydrophobicContact CG2-CD2 3.87Å; V48-F110 HydrophobicContact CG2-CE2 3.9Å
49V98.8Very high94.9Very high1 Ų138.3 Ų38.31%0.00625%0.25CC..EExtended strand (participates in β ladder)trans-97.9116.9168.1179.30000109.2L19 F24 F47 N51 A65 V80 T81 V82 Y107L19-V49 HydrophobicContact CD1-CB 4.06Å; L19-V49 HydrophobicContact CD1-CG1 3.71Å; L19-V49 HydrophobicContact CD2-CG1 4.43Å; F24-V49 HydrophobicContact CD1-CG2 4.09Å; F24-V49 HydrophobicContact CE1-CB 4.39Å; F24-V49 HydrophobicContact CE1-CG2 3.46Å; F24-V49 VanDerWaalsContact CE1-CG2 3.46Å; F24-V49 HydrophobicContact CZ-CG2 4.1Å; F47-V49 HydrophobicContact CD1-CG2 4.29Å; F47-V49 HydrophobicContact CE1-CG2 3.68Å; F47-V49 HydrophobicContact CZ-CG2 3.98Å; V49-N51 PolarHBondContact O-N 3.04Å; V49-A65 HydrophobicContact CG2-CB 3.66Å; V49-V80 PolarHBondContact N-O 2.79Å; V49-T81 VanDerWaalsContact O-CA 3.25Å; V49-T81 WeakPolarHBondContact O-CA 3.33Å; V49-T81 WeakPolarHBondContact O-CB 3.29Å; V49-T81 PolarHBondContact O-OG1 3.44Å; V49-V82 PolarHBondContact O-N 2.91Å; V49-Y107 HydrophobicContact CB-CD1 4.44Å; V49-Y107 HydrophobicContact CG1-CD1 4.29Å; V49-Y107 HydrophobicContact CG1-CE1 4.13Å; V49-Y107 HydrophobicContact CG2-CD1 3.97Å; V49-Y107 HydrophobicContact CG2-CE1 4.1Å
50I98.7Very high94.8Very high1 Ų132.9 Ų32.91%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-85.290.7170.6-60.187.1000106.6V48 V82 A84 T91 I98 P105 S106 A108V48-I50 HydrophobicContact CG1-CD1 4.15Å; I50-V82 HydrophobicContact CB-CG2 4.37Å; I50-V82 HydrophobicContact CG1-CG2 3.97Å; I50-V82 HydrophobicContact CG2-CG2 4.32Å; I50-A84 HydrophobicContact CG2-CB 4.11Å; I50-T91 HydrophobicContact CG2-CG2 4.13Å; I50-I98 HydrophobicContact CD1-CD1 3.77Å; I50-I98 HydrophobicContact CG1-CD1 4.24Å; I50-P105 VanDerWaalsContact O-CA 3.3Å; I50-P105 WeakPolarHBondContact O-CA 3.49Å; I50-S106 WeakPolarHBondContact CB-OG 3.33Å; I50-S106 WeakPolarHBondContact CD1-O 3.25Å; I50-S106 WeakPolarHBondContact CD1-OG 3.22Å; I50-S106 PolarHBondContact N-O 3.16Å; I50-S106 PolarHBondContact O-N 2.78Å; I50-A108 HydrophobicContact CD1-CB 4.43Å
51N98.1Very high94.8Very high1 Ų131.9 Ų31.91%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-71.5161.5-174.8-163.48.2000111.5M15 L19 V49 R62 V82 F83 A84M15-N51 PolarHBondContact O-ND2 2.55Å; L19-N51 HydrophobicContact CD1-CB 3.99Å; V49-N51 PolarHBondContact O-N 3.04Å; N51-R62 WeakPolarHBondContact OD1-CD 3.48Å; N51-R62 PolarHBondContact OD1-NH1 2.65Å; N51-R62 VanDerWaalsContact OD1-NH1 3.16Å; N51-V82 PolarHBondContact N-O 3.32Å; N51-F83 HydrophobicContact CB-CD1 4.31Å; N51-F83 HydrophobicContact CB-CG 4.39Å; N51-A84 VanDerWaalsContact O-CB 3.25Å; N51-A84 WeakPolarHBondContact O-CB 3.36Å; N51-A84 PolarHBondContact O-N 3.02Å
52S95.7Very high94.8Very high5 Ų527.1 Ų27.14%0.03519%0.194CC..  trans-153.4161.2179.5-1700000111.5C54 A57 R62S52-C54 VanDerWaalsContact C-N 3.27Å; S52-C54 PolarHBondContact OG-N 2.92Å; S52-C54 PolarHBondContact OG-SG 2.9Å; S52-A57 VanDerWaalsContact O-CB 3.28Å; S52-A57 WeakPolarHBondContact O-CB 3.48Å; S52-R62 PolarHBondContact O-NH1 3.08Å; S52-R62 VanDerWaalsContact O-NH1 3.16Å
53T93.5Very high94.9Very high62 Ų6225.8 Ų25.838%0.3818%0.178SC..SBendtrans-82.5-5.1172.357.50000112.8M15 F83 Q86M15-T53 HydrophobicContact SD-CG2 3.83Å; T53-F83 HydrophobicContact CG2-CE1 3.71Å; T53-F83 HydrophobicContact CG2-CZ 3.82Å; T53-Q86 HydrophobicContact CG2-CG 4.5Å
54C90.5Very high95Very high39 Ų3919.4 Ų19.426%0.26414%0.144SC..SBendtrans-63.7148.3179.2-59.40000112.6S52 C56 A57 A58S52-C54 VanDerWaalsContact C-N 3.27Å; S52-C54 PolarHBondContact OG-N 2.92Å; S52-C54 PolarHBondContact OG-SG 2.9Å; C54-C56 VanDerWaalsContact C-N 3.29Å; C54-C56 PolarHBondContact O-N 3.08Å; C54-A57 WeakPolarHBondContact O-CA 3.2Å; C54-A57 VanDerWaalsContact O-CB 3.25Å; C54-A57 WeakPolarHBondContact O-CB 3.49Å; C54-A57 PolarHBondContact O-N 3.33Å; C54-A58 PolarHBondContact O-N 3.45Å
55G85Confident95Very high62 Ų6217.6 Ų17.664%0.63914%0.135SC*.Hα-helixtrans-58.6-35-179.900000114.4A57 A58 G59G55-A57 PolarHBondContact O-N 2.75Å; G55-A58 PolarHBondContact O-N 2.85Å; G55-G59 PolarHBondContact O-N 3.01Å
56C87.5Confident94.9Very high18 Ų1818.4 Ų18.412%0.12214%0.139CC..Hα-helixtrans-64.5-26.8173.7550000112.9C54 L60 A61 P105C54-C56 VanDerWaalsContact C-N 3.29Å; C54-C56 PolarHBondContact O-N 3.08Å; C56-L60 HydrophobicContact CB-CD1 4.47Å; C56-L60 VanDerWaalsContact O-CB 3.32Å; C56-L60 WeakPolarHBondContact O-CB 3.22Å; C56-L60 PolarHBondContact O-N 3.35Å; C56-L60 VanDerWaalsContact O-N 3.12Å; C56-A61 PolarHBondContact O-N 2.97Å; C56-P105 WeakPolarHBondContact SG-CD 3.38Å
57A87.8Confident94.9Very high0 Ų020 Ų200%015%0.152CC..Iπ-helixtrans-69.8-41.9173.600000111.4S52 C54 G55 A61 R62 P105S52-A57 VanDerWaalsContact O-CB 3.28Å; S52-A57 WeakPolarHBondContact O-CB 3.48Å; C54-A57 WeakPolarHBondContact O-CA 3.2Å; C54-A57 VanDerWaalsContact O-CB 3.25Å; C54-A57 WeakPolarHBondContact O-CB 3.49Å; C54-A57 PolarHBondContact O-N 3.33Å; G55-A57 PolarHBondContact O-N 2.75Å; A57-A61 PolarHBondContact O-N 3.49Å; A57-R62 PolarHBondContact O-N 3.01Å; A57-P105 HydrophobicContact CB-CB 3.93Å; A57-P105 HydrophobicContact CB-CG 3.96Å
58A88Confident94.8Very high39 Ų3920.4 Ų20.432%0.32216%0.155SC..Iπ-helixtrans-70.8-45.6179.700000113.2C54 G55 R62 P63C54-A58 PolarHBondContact O-N 3.45Å; G55-A58 PolarHBondContact O-N 2.85Å; A58-R62 VanDerWaalsContact CA-NH2 3.28Å; A58-R62 VanDerWaalsContact CB-NH2 3.3Å; A58-P63 WeakPolarHBondContact O-CD 3.33Å; A58-P63 VanDerWaalsContact O-CG 3.32Å; A58-P63 WeakPolarHBondContact O-CG 3.36Å
59G90.5Very high94.7Very high47 Ų4721 Ų2149%0.48516%0.16SC..Iπ-helixtrans-83.5-24.5-174.400000114.8G55G55-G59 PolarHBondContact O-N 3.01Å
60L96.4Very high94.5Very high33 Ų3323.5 Ų23.517%0.17318%0.175CC..Iπ-helixtrans-127-58.6-171.2-53.6171.5000110.7C56 P63 A64 I124 I129 I132C56-L60 HydrophobicContact CB-CD1 4.47Å; C56-L60 VanDerWaalsContact O-CB 3.32Å; C56-L60 WeakPolarHBondContact O-CB 3.22Å; C56-L60 PolarHBondContact O-N 3.35Å; C56-L60 VanDerWaalsContact O-N 3.12Å; L60-P63 WeakPolarHBondContact O-CD 3.25Å; L60-A64 VanDerWaalsContact O-CB 3.27Å; L60-A64 WeakPolarHBondContact O-CB 3.31Å; L60-A64 PolarHBondContact O-N 3.44Å; L60-I124 HydrophobicContact CB-CG2 4.18Å; L60-I124 VanDerWaalsContact CD1-O 3.28Å; L60-I124 WeakPolarHBondContact CD1-O 3.35Å; L60-I129 HydrophobicContact CD2-CB 4.16Å; L60-I132 HydrophobicContact CB-CD1 3.97Å; L60-I132 HydrophobicContact CD1-CD1 4.4Å
61A97.3Very high94.3Very high1 Ų130.5 Ų30.51%0.00821%0.208CC..Iπ-helixtrans-69.9-49-16300000113.9C56 A57 A65 P105 Y107 I124C56-A61 PolarHBondContact O-N 2.97Å; A57-A61 PolarHBondContact O-N 3.49Å; A61-A65 VanDerWaalsContact O-CB 3.26Å; A61-A65 WeakPolarHBondContact O-CB 3.44Å; A61-A65 PolarHBondContact O-N 3.05Å; A61-A65 VanDerWaalsContact O-N 3.08Å; A61-P105 HydrophobicContact CB-CB 3.51Å; A61-P105 HydrophobicContact CB-CG 3.72Å; A61-Y107 WeakPolarHBondContact CA-OH 3.32Å; A61-Y107 HydrophobicContact CB-CE1 4.29Å; A61-Y107 PolarHBondContact O-OH 3.16Å; A61-I124 HydrophobicContact CB-CG2 4.11Å
62R98Very high94.2Very high3 Ų331 Ų311%0.01121%0.211CC..Hα-helixtrans-67.5-46.2179.2-62.1-172.1-64.6-99.710.5111.9M15 E18 L19 N51 S52 A57 A58 A64 A65 V66M15-R62 WeakPolarHBondContact O-CD 3.5Å; E18-R62 VanDerWaalsContact CD-NE 3.32Å; E18-R62 IonicContact OE1-CZ 2.73Å; E18-R62 IonicContact OE1-NE 2.76Å; E18-R62 IonicContact OE1-NH2 2.81Å; E18-R62 PolarHBondContact OE1-NH2 3.25Å; E18-R62 IonicContact OE2-CZ 3.32Å; E18-R62 VanDerWaalsContact OE2-CZ 3.23Å; E18-R62 IonicContact OE2-NE 2.71Å; E18-R62 PolarHBondContact OE2-NE 2.96Å; E18-R62 IonicContact OE2-NH2 3.98Å; E18-R62 PolarHBondContact OE2-NH2 3.47Å; L19-R62 HydrophobicContact CD1-CG 4.17Å; L19-R62 HydrophobicContact CD2-CB 4.04Å; L19-R62 HydrophobicContact CD2-CG 4.01Å; L19-R62 HydrophobicContact CG-CB 4.44Å; L19-R62 HydrophobicContact CG-CG 4.01Å; N51-R62 WeakPolarHBondContact OD1-CD 3.48Å; N51-R62 PolarHBondContact OD1-NH1 2.65Å; N51-R62 VanDerWaalsContact OD1-NH1 3.16Å; S52-R62 PolarHBondContact O-NH1 3.08Å; S52-R62 VanDerWaalsContact O-NH1 3.16Å; A57-R62 PolarHBondContact O-N 3.01Å; A58-R62 VanDerWaalsContact CA-NH2 3.28Å; A58-R62 VanDerWaalsContact CB-NH2 3.3Å; R62-A64 PolarHBondContact O-N 3.17Å; R62-A65 PolarHBondContact O-N 3.34Å; R62-V66 WeakPolarHBondContact O-CG2 3.45Å; R62-V66 PolarHBondContact O-N 3.25Å
63P97.6Very high94.2Very high50 Ų5038.7 Ų38.733%0.32525%0.246SC..Hα-helixtrans-59-44.6177.3-2736.7000113.7A58 L60 V66 A67 I129A58-P63 WeakPolarHBondContact O-CD 3.33Å; A58-P63 VanDerWaalsContact O-CG 3.32Å; A58-P63 WeakPolarHBondContact O-CG 3.36Å; L60-P63 WeakPolarHBondContact O-CD 3.25Å; P63-V66 PolarHBondContact O-N 3.08Å; P63-A67 WeakPolarHBondContact O-CB 3.28Å; P63-A67 PolarHBondContact O-N 2.79Å; P63-I129 HydrophobicContact CB-CD1 3.74Å
64A97.9Very high94.4Very high1 Ų138.8 Ų38.81%0.00824%0.242CC..Hα-helixtrans-63.4-46.2177.700000111.9L60 R62 V66 A67 V68 I129 I132 L136L60-A64 VanDerWaalsContact O-CB 3.27Å; L60-A64 WeakPolarHBondContact O-CB 3.31Å; L60-A64 PolarHBondContact O-N 3.44Å; R62-A64 PolarHBondContact O-N 3.17Å; A64-V66 PolarHBondContact O-N 3.44Å; A64-A67 PolarHBondContact O-N 3.03Å; A64-V68 WeakPolarHBondContact O-CG2 3.02Å; A64-V68 PolarHBondContact O-N 3.33Å; A64-I129 HydrophobicContact CB-CG1 4.09Å; A64-I132 HydrophobicContact CB-CB 4.41Å; A64-I132 HydrophobicContact CB-CG2 3.86Å; A64-L136 HydrophobicContact CB-CD1 4.4Å
65A98.1Very high94.7Very high0 Ų042.4 Ų42.40%025%0.25CS..Hα-helixtrans-59-46.9178.300000112.2F24 F47 V49 A61 R62 A69 Y107F24-A65 HydrophobicContact CZ-CB 4.29Å; F47-A65 HydrophobicContact CE1-CB 3.83Å; F47-A65 HydrophobicContact CZ-CB 4.12Å; V49-A65 HydrophobicContact CG2-CB 3.66Å; A61-A65 VanDerWaalsContact O-CB 3.26Å; A61-A65 WeakPolarHBondContact O-CB 3.44Å; A61-A65 PolarHBondContact O-N 3.05Å; A61-A65 VanDerWaalsContact O-N 3.08Å; R62-A65 PolarHBondContact O-N 3.34Å; A65-A69 WeakPolarHBondContact O-CB 3.38Å; A65-A69 PolarHBondContact O-N 2.76Å; A65-Y107 HydrophobicContact CB-CE1 3.85Å
66V97.9Very high95.3Very high23 Ų2340 Ų4014%0.13922%0.224CC..Hα-helixtrans-63-47.9178.11690000110.8L19 N22 F24 R62 P63 A64 V68 T70L19-V66 HydrophobicContact CD2-CG2 4.05Å; N22-V66 HydrophobicContact CB-CB 4.37Å; N22-V66 HydrophobicContact CB-CG1 3.74Å; N22-V66 HydrophobicContact CB-CG2 3.75Å; N22-V66 VanDerWaalsContact CG-CG1 3.47Å; F24-V66 HydrophobicContact CE2-CG2 4.34Å; R62-V66 WeakPolarHBondContact O-CG2 3.45Å; R62-V66 PolarHBondContact O-N 3.25Å; P63-V66 PolarHBondContact O-N 3.08Å; A64-V66 PolarHBondContact O-N 3.44Å; V66-V68 PolarHBondContact O-N 3.41Å; V66-T70 HydrophobicContact CG1-CG2 4.45Å; V66-T70 WeakPolarHBondContact O-CB 3.44Å; V66-T70 VanDerWaalsContact O-CG2 3.29Å; V66-T70 WeakPolarHBondContact O-CG2 3.39Å; V66-T70 PolarHBondContact O-N 2.8Å; V66-T70 VanDerWaalsContact O-N 3.08Å; V66-T70 PolarHBondContact O-OG1 3.32Å
67A97Very high95.8Very high33 Ų3343.1 Ų43.127%0.27324%0.242SC..Hα-helixtrans-57.9-52.1-17900000111.4P63 A64 T70 Q71P63-A67 WeakPolarHBondContact O-CB 3.28Å; P63-A67 PolarHBondContact O-N 2.79Å; A64-A67 PolarHBondContact O-N 3.03Å; A67-T70 PolarHBondContact O-N 2.99Å; A67-T70 PolarHBondContact O-OG1 3.38Å; A67-Q71 WeakPolarHBondContact O-CB 3.04Å; A67-Q71 VanDerWaalsContact O-CG 3.31Å; A67-Q71 WeakPolarHBondContact O-CG 3.32Å; A67-Q71 PolarHBondContact O-N 2.82Å
68V97.4Very high96.3Very high9 Ų945.5 Ų45.56%0.05526%0.255CS..Hα-helixtrans-69.9-44.4-175.7-176.40000111.5A64 V66 T70 Q71 N72 A133 L136 K137 F140A64-V68 WeakPolarHBondContact O-CG2 3.02Å; A64-V68 PolarHBondContact O-N 3.33Å; V66-V68 PolarHBondContact O-N 3.41Å; V68-T70 PolarHBondContact O-N 3.35Å; V68-Q71 PolarHBondContact O-N 3.19Å; V68-N72 HydrophobicContact CG1-CB 4.1Å; V68-N72 VanDerWaalsContact O-CB 3.23Å; V68-N72 WeakPolarHBondContact O-CB 3.1Å; V68-N72 PolarHBondContact O-N 3.38Å; V68-A133 HydrophobicContact CG2-CB 3.72Å; V68-A133 WeakPolarHBondContact CG2-O 3.37Å; V68-L136 HydrophobicContact CB-CB 4.24Å; V68-L136 HydrophobicContact CG1-CB 3.99Å; V68-L136 HydrophobicContact CG2-CB 4.03Å; V68-L136 HydrophobicContact CG2-CD1 4.36Å; V68-K137 HydrophobicContact CG1-CB 4.27Å; V68-F140 HydrophobicContact CB-CE2 4.42Å; V68-F140 HydrophobicContact CG1-CD2 3.71Å; V68-F140 HydrophobicContact CG1-CE2 3.69Å; V68-F140 HydrophobicContact CG1-CZ 4.47Å
69A97.3Very high96.8Very high13 Ų1345 Ų4511%0.10725%0.248CC..Hα-helixtrans-62.5-28.8178.900000113.4F24 A65 R75 T79 F140F24-A69 HydrophobicContact CE2-CB 4.22Å; F24-A69 HydrophobicContact CZ-CB 3.93Å; A65-A69 WeakPolarHBondContact O-CB 3.38Å; A65-A69 PolarHBondContact O-N 2.76Å; A69-R75 WeakPolarHBondContact O-CD 3.45Å; A69-T79 HydrophobicContact CB-CG2 4.18Å; A69-F140 HydrophobicContact CB-CE2 4.49Å
70T94.7Very high97.2Very high53 Ų5342.9 Ų42.933%0.32523%0.225SC..Hα-helixtrans-97-20.1-177.959.20000114.3V66 A67 V68 R75V66-T70 HydrophobicContact CG1-CG2 4.45Å; V66-T70 WeakPolarHBondContact O-CB 3.44Å; V66-T70 VanDerWaalsContact O-CG2 3.29Å; V66-T70 WeakPolarHBondContact O-CG2 3.39Å; V66-T70 PolarHBondContact O-N 2.8Å; V66-T70 VanDerWaalsContact O-N 3.08Å; V66-T70 PolarHBondContact O-OG1 3.32Å; A67-T70 PolarHBondContact O-N 2.99Å; A67-T70 PolarHBondContact O-OG1 3.38Å; V68-T70 PolarHBondContact O-N 3.35Å; T70-R75 PolarHBondContact O-NH1 3.25Å; T70-R75 PolarHBondContact O-NH2 3.05Å
71Q94.7Very high97.3Very high148 Ų14841.4 Ų41.469%0.69222%0.217SC*.Hα-helixtrans-117.7-22.4-171.1-59.3175.930.300114.1A67 V68A67-Q71 WeakPolarHBondContact O-CB 3.04Å; A67-Q71 VanDerWaalsContact O-CG 3.31Å; A67-Q71 WeakPolarHBondContact O-CG 3.32Å; A67-Q71 PolarHBondContact O-N 2.82Å; V68-Q71 PolarHBondContact O-N 3.19Å
72N96Very high97.4Very high11 Ų1141.3 Ų41.36%0.05922%0.217CC..  trans-65.3155.8-178.9-160.340.1000112V68 H74 R75 K137 F140 D141V68-N72 HydrophobicContact CG1-CB 4.1Å; V68-N72 VanDerWaalsContact O-CB 3.23Å; V68-N72 WeakPolarHBondContact O-CB 3.1Å; V68-N72 PolarHBondContact O-N 3.38Å; N72-H74 PolarHBondContact ND2-O 3.06Å; N72-R75 WeakPolarHBondContact O-CG 3.44Å; N72-R75 VanDerWaalsContact O-CZ 3.26Å; N72-R75 PolarHBondContact O-NE 2.92Å; N72-R75 PolarHBondContact O-NH2 3.22Å; N72-K137 WeakPolarHBondContact OD1-CD 3.5Å; N72-K137 WeakPolarHBondContact OD1-CG 3.36Å; N72-K137 PolarHBondContact OD1-NZ 2.91Å; N72-F140 HydrophobicContact CB-CD2 4.48Å; N72-D141 PolarHBondContact ND2-OD1 3.41Å
73E95.7Very high97.4Very high168 Ų16841.2 Ų41.279%0.78522%0.217SC*.SBendtrans-72-54.3177.2-176173.5-179.800110.8
74H96.8Very high97.3Very high63 Ų6339.2 Ų39.229%0.29221%0.205SC..SBendtrans-84.5128.8171.6-62.4-61.9000110.2N72 D141 C144N72-H74 PolarHBondContact ND2-O 3.06Å; H74-D141 IonicContact CD2-OD1 2.64Å; H74-C144 HydrophobicContact CB-CB 4.38Å
75R96.7Very high97.1Very high116 Ų11641.4 Ų41.444%0.43823%0.227SC..  trans-135.5146.5-172.6-61.6176.5-164.6-152.2-9.9110.7A69 T70 N72 C144A69-R75 WeakPolarHBondContact O-CD 3.45Å; T70-R75 PolarHBondContact O-NH1 3.25Å; T70-R75 PolarHBondContact O-NH2 3.05Å; N72-R75 WeakPolarHBondContact O-CG 3.44Å; N72-R75 VanDerWaalsContact O-CZ 3.26Å; N72-R75 PolarHBondContact O-NE 2.92Å; N72-R75 PolarHBondContact O-NH2 3.22Å; R75-C144 WeakPolarHBondContact O-CB 3.24Å
76P97.8Very high97Very high12 Ų1245.2 Ų45.28%0.07825%0.245CC..  trans-58.7141.6170.428.6-37.1000110.3T45 F47 N78 T79 L109 F140T45-P76 VanDerWaalsContact OG1-CA 3.28Å; T45-P76 WeakPolarHBondContact OG1-CA 3.37Å; F47-P76 HydrophobicContact CB-CB 3.78Å; F47-P76 HydrophobicContact CB-CG 3.53Å; F47-P76 HydrophobicContact CG-CG 4.47Å; P76-N78 PolarHBondContact O-N 2.94Å; P76-T79 HydrophobicContact CG-CG2 3.89Å; P76-L109 HydrophobicContact CB-CD1 4.13Å; P76-F140 VanDerWaalsContact CD-CE2 3.49Å; P76-F140 HydrophobicContact CG-CE2 4.09Å; P76-F140 HydrophobicContact CG-CZ 4.02Å
77T97.7Very high96.9Very high83 Ų8345.2 Ų45.251%0.50924%0.244SC..SBendtrans-56.8-40.1174-49.40000110.9D44 T45D44-T77 HydrophobicContact CB-CG2 4.34Å; T45-T77 PolarHBondContact N-OG1 3.35Å; T45-T77 WeakPolarHBondContact O-CB 3.35Å; T45-T77 PolarHBondContact O-N 3.34Å; T45-T77 PolarHBondContact OG1-N 2.9Å; T45-T77 VanDerWaalsContact OG1-N 3.07Å
78N98.2Very high96.9Very high50 Ų5050.9 Ų50.927%0.26726%0.263SS..EExtended strand (participates in β ladder)trans-127.3144.3-176.2-56-70.1000111.4Y36 T45 T46 F47 P76Y36-N78 WeakPolarHBondContact OH-CB 3.27Å; T45-N78 PolarHBondContact O-N 2.81Å; T46-N78 WeakPolarHBondContact CA-O 3.26Å; T46-N78 HydrophobicContact CG2-CB 4.31Å; F47-N78 PolarHBondContact N-O 2.98Å; P76-N78 PolarHBondContact O-N 2.94Å
79T98.7Very high96.9Very high29 Ų2957 Ų5718%0.17829%0.291CS..EExtended strand (participates in β ladder)trans-124.1124.6171.952.50000109.4G23 F24 T25 F47 A69 P76G23-T79 PolarHBondContact O-OG1 3.34Å; G23-T79 VanDerWaalsContact O-OG1 3.14Å; F24-T79 WeakPolarHBondContact CA-O 3.16Å; F24-T79 HydrophobicContact CE1-CG2 4.13Å; F24-T79 HydrophobicContact CZ-CG2 4.2Å; T25-T79 PolarHBondContact N-O 3.19Å; F47-T79 HydrophobicContact CB-CG2 4.43Å; F47-T79 HydrophobicContact CD1-CG2 4.49Å; F47-T79 WeakPolarHBondContact O-CA 3.47Å; A69-T79 HydrophobicContact CB-CG2 4.18Å; P76-T79 HydrophobicContact CG-CG2 3.89Å
80V98.7Very high97Very high2 Ų256.4 Ų56.41%0.01229%0.286CS..EExtended strand (participates in β ladder)trans-135.9162.5-178.2-54.40000111.4T25 L27 Y36 T46 F47 V48 V49T25-V80 CarbonylContact O-C 3.35Å; T25-V80 VanDerWaalsContact O-CA 3.22Å; T25-V80 WeakPolarHBondContact O-CA 3.33Å; L27-V80 HydrophobicContact CD1-CB 3.98Å; L27-V80 HydrophobicContact CD1-CG1 4.33Å; L27-V80 HydrophobicContact CD1-CG2 4.02Å; L27-V80 HydrophobicContact CG-CB 4.26Å; Y36-V80 HydrophobicContact CD2-CG1 4.42Å; Y36-V80 HydrophobicContact CE1-CG1 4.07Å; Y36-V80 HydrophobicContact CE1-CG2 4.28Å; Y36-V80 HydrophobicContact CE2-CG1 3.79Å; T46-V80 HydrophobicContact CG2-CG1 4.4Å; T46-V80 HydrophobicContact CG2-CG2 3.73Å; F47-V80 PolarHBondContact O-N 2.92Å; V48-V80 WeakPolarHBondContact CA-O 2.98Å; V48-V80 HydrophobicContact CB-CG2 4.19Å; V48-V80 HydrophobicContact CG1-CG2 4.17Å; V48-V80 HydrophobicContact CG2-CG2 3.67Å; V49-V80 PolarHBondContact N-O 2.79Å
81T98.9Very high97.2Very high1 Ų154 Ų541%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-143.2144.1177.1-173.80000112.1L19 F24 T25 L27 V49L19-T81 HydrophobicContact CB-CG2 4.32Å; L19-T81 HydrophobicContact CD1-CG2 4.09Å; L19-T81 WeakPolarHBondContact CD1-OG1 3.38Å; F24-T81 HydrophobicContact CB-CG2 4.26Å; T25-T81 PolarHBondContact O-N 3.42Å; L27-T81 PolarHBondContact N-O 2.92Å; V49-T81 VanDerWaalsContact O-CA 3.25Å; V49-T81 WeakPolarHBondContact O-CA 3.33Å; V49-T81 WeakPolarHBondContact O-CB 3.29Å; V49-T81 PolarHBondContact O-OG1 3.44Å
82V98.8Very high97.4Very high0 Ų049.2 Ų49.20%026%0.257CS..EExtended strand (participates in β ladder)trans-117.7147.1165.9-660000108.8L27 V33 V49 I50 N51 A90 T91 M94L27-V82 HydrophobicContact CB-CG1 4.13Å; V33-V82 HydrophobicContact CG2-CG1 3.84Å; V49-V82 PolarHBondContact O-N 2.91Å; I50-V82 HydrophobicContact CB-CG2 4.37Å; I50-V82 HydrophobicContact CG1-CG2 3.97Å; I50-V82 HydrophobicContact CG2-CG2 4.32Å; N51-V82 PolarHBondContact N-O 3.32Å; V82-A90 HydrophobicContact CG1-CB 4.41Å; V82-T91 HydrophobicContact CG2-CG2 4.29Å; V82-M94 HydrophobicContact CG1-CB 4Å; V82-M94 HydrophobicContact CG1-CE 4.33Å; V82-M94 HydrophobicContact CG1-CG 4.3Å; V82-M94 HydrophobicContact CG2-CB 4.11Å; V82-M94 HydrophobicContact CG2-CG 4.06Å
83F98Very high97.5Very high0 Ų049.2 Ų49.20%026%0.257CS..EExtended strand (participates in β ladder)trans-10897.3-174.6-156.6-26.1000112.1A12 M15 R16 N51 T53 G85 Q86 D87 T91A12-F83 HydrophobicContact CB-CE2 4.21Å; A12-F83 HydrophobicContact CB-CZ 4.47Å; A12-F83 WeakPolarHBondContact O-CE2 3.35Å; M15-F83 HydrophobicContact CB-CE2 4.07Å; M15-F83 HydrophobicContact CB-CZ 3.89Å; M15-F83 HydrophobicContact SD-CZ 4.23Å; R16-F83 HydrophobicContact CB-CD2 4.3Å; R16-F83 HydrophobicContact CB-CE2 4.29Å; N51-F83 HydrophobicContact CB-CD1 4.31Å; N51-F83 HydrophobicContact CB-CG 4.39Å; T53-F83 HydrophobicContact CG2-CE1 3.71Å; T53-F83 HydrophobicContact CG2-CZ 3.82Å; F83-G85 PolarHBondContact O-N 3.12Å; F83-Q86 HydrophobicContact CB-CB 4.11Å; F83-Q86 HydrophobicContact CD1-CB 4.03Å; F83-Q86 HydrophobicContact CD1-CG 3.68Å; F83-Q86 HydrophobicContact CD2-CB 4.2Å; F83-Q86 HydrophobicContact CD2-CG 4.06Å; F83-Q86 HydrophobicContact CE1-CG 3.7Å; F83-Q86 HydrophobicContact CE2-CG 4.1Å; F83-Q86 HydrophobicContact CG-CB 3.85Å; F83-Q86 HydrophobicContact CG-CG 3.87Å; F83-Q86 HydrophobicContact CZ-CG 3.93Å; F83-Q86 PolarHBondContact O-N 2.73Å; F83-Q86 VanDerWaalsContact O-N 3.11Å; F83-D87 HydrophobicContact CB-CB 4.46Å; F83-D87 VanDerWaalsContact CB-OD2 3.3Å; F83-D87 WeakPolarHBondContact CB-OD2 3.38Å; F83-D87 PolarHBondContact O-N 2.84Å; F83-T91 VanDerWaalsContact C-OG1 3.32Å; F83-T91 PolarHBondContact O-OG1 3.43Å
84A97.5Very high97.7Very high9 Ų941.2 Ų41.27%0.07422%0.22CC..THydrogen-bonded Turntrans-57.5126.9179.200000111.9I50 N51 Q86 T91I50-A84 HydrophobicContact CG2-CB 4.11Å; N51-A84 VanDerWaalsContact O-CB 3.25Å; N51-A84 WeakPolarHBondContact O-CB 3.36Å; N51-A84 PolarHBondContact O-N 3.02Å; A84-Q86 VanDerWaalsContact C-N 3.28Å; A84-Q86 PolarHBondContact O-N 2.97Å; A84-T91 WeakPolarHBondContact CA-OG1 3.37Å; A84-T91 HydrophobicContact CB-CG2 3.92Å; A84-T91 PolarHBondContact N-OG1 3.06Å
85G93.6Very high97.7Very high47 Ų4741.9 Ų41.949%0.48522%0.22SC..THydrogen-bonded Turntrans88.3-26.7-179.700000114.7F83 K88F83-G85 PolarHBondContact O-N 3.12Å; G85-K88 WeakPolarHBondContact O-CE 3.43Å
86Q94.5Very high97.8Very high79 Ų7943 Ų4337%0.36923%0.23SC..THydrogen-bonded Turntrans-92-56.2173.8-57.7-57.9-50.800110.3A12 T53 F83 A84 K88A12-Q86 HydrophobicContact CB-CG 4.09Å; T53-Q86 HydrophobicContact CG2-CG 4.5Å; F83-Q86 HydrophobicContact CB-CB 4.11Å; F83-Q86 HydrophobicContact CD1-CB 4.03Å; F83-Q86 HydrophobicContact CD1-CG 3.68Å; F83-Q86 HydrophobicContact CD2-CB 4.2Å; F83-Q86 HydrophobicContact CD2-CG 4.06Å; F83-Q86 HydrophobicContact CE1-CG 3.7Å; F83-Q86 HydrophobicContact CE2-CG 4.1Å; F83-Q86 HydrophobicContact CG-CB 3.85Å; F83-Q86 HydrophobicContact CG-CG 3.87Å; F83-Q86 HydrophobicContact CZ-CG 3.93Å; F83-Q86 PolarHBondContact O-N 2.73Å; F83-Q86 VanDerWaalsContact O-N 3.11Å; A84-Q86 VanDerWaalsContact C-N 3.28Å; A84-Q86 PolarHBondContact O-N 2.97Å; Q86-K88 PolarHBondContact O-N 3.49Å
87D96.4Very high97.8Very high23 Ų2344.4 Ų44.412%0.12324%0.235CC..SBendtrans-102.868.6179.3-48.8-30.8000108.8R16 F83 E89 A90 T91R16-D87 IonicContact CZ-OD2 2.95Å; R16-D87 IonicContact NH1-OD2 3.45Å; R16-D87 PolarHBondContact NH1-OD2 3.14Å; R16-D87 IonicContact NH2-OD1 3.38Å; R16-D87 PolarHBondContact NH2-OD1 3.22Å; R16-D87 IonicContact NH2-OD2 3.39Å; R16-D87 PolarHBondContact NH2-OD2 2.92Å; F83-D87 HydrophobicContact CB-CB 4.46Å; F83-D87 VanDerWaalsContact CB-OD2 3.3Å; F83-D87 WeakPolarHBondContact CB-OD2 3.38Å; F83-D87 PolarHBondContact O-N 2.84Å; D87-E89 PolarHBondContact O-N 3.37Å; D87-A90 HydrophobicContact CB-CB 3.97Å; D87-A90 PolarHBondContact O-N 2.94Å; D87-T91 WeakPolarHBondContact O-CB 3.25Å; D87-T91 PolarHBondContact O-N 2.83Å; D87-T91 PolarHBondContact O-OG1 3.43Å
88K97Very high97.8Very high152 Ų15240.7 Ų40.766%0.66121%0.212SC*.Hα-helixtrans-59.4-44.6-168.5-66.1-179.5-176.6175.10112.8G85 Q86 T91 A92G85-K88 WeakPolarHBondContact O-CE 3.43Å; Q86-K88 PolarHBondContact O-N 3.49Å; K88-T91 PolarHBondContact O-N 3.32Å; K88-A92 WeakPolarHBondContact O-CB 3.45Å; K88-A92 PolarHBondContact O-N 2.95Å
89E98.3Very high97.8Very high139 Ų13946.1 Ų46.165%0.6524%0.236SC*.Hα-helixtrans-68.6-48.2-178.8-66.1179.1179.900110.9D87 T91 A92 T93D87-E89 PolarHBondContact O-N 3.37Å; E89-T91 VanDerWaalsContact C-N 3.29Å; E89-T91 PolarHBondContact O-N 3.37Å; E89-A92 WeakPolarHBondContact O-CB 3.35Å; E89-A92 PolarHBondContact O-N 3.02Å; E89-A92 VanDerWaalsContact O-N 3.09Å; E89-T93 PolarHBondContact O-N 3.5Å; E89-T93 PolarHBondContact O-OG1 3.3Å
90A98.7Very high97.8Very high0 Ų049.7 Ų49.70%025%0.25CS..Hα-helixtrans-54.9-45174.200000112.4L27 V33 V82 D87 A92 T93 M94L27-A90 WeakPolarHBondContact O-CB 3.45Å; V33-A90 HydrophobicContact CG2-CB 4Å; V82-A90 HydrophobicContact CG1-CB 4.41Å; D87-A90 HydrophobicContact CB-CB 3.97Å; D87-A90 PolarHBondContact O-N 2.94Å; A90-A92 PolarHBondContact O-N 2.74Å; A90-T93 PolarHBondContact O-N 3.09Å; A90-M94 WeakPolarHBondContact O-CB 3.41Å; A90-M94 PolarHBondContact O-N 3.49Å
91T98.6Very high97.6Very high2 Ų253 Ų531%0.01228%0.278CS..Hα-helixtrans-66.6-38.2178.6-53.60000111.9I50 V82 F83 A84 D87 K88 E89 R95I50-T91 HydrophobicContact CG2-CG2 4.13Å; V82-T91 HydrophobicContact CG2-CG2 4.29Å; F83-T91 VanDerWaalsContact C-OG1 3.32Å; F83-T91 PolarHBondContact O-OG1 3.43Å; A84-T91 WeakPolarHBondContact CA-OG1 3.37Å; A84-T91 HydrophobicContact CB-CG2 3.92Å; A84-T91 PolarHBondContact N-OG1 3.06Å; D87-T91 WeakPolarHBondContact O-CB 3.25Å; D87-T91 PolarHBondContact O-N 2.83Å; D87-T91 PolarHBondContact O-OG1 3.43Å; K88-T91 PolarHBondContact O-N 3.32Å; E89-T91 VanDerWaalsContact C-N 3.29Å; E89-T91 PolarHBondContact O-N 3.37Å; T91-R95 WeakPolarHBondContact O-CD 3.15Å; T91-R95 VanDerWaalsContact O-CG 3.25Å; T91-R95 WeakPolarHBondContact O-CG 3.4Å; T91-R95 PolarHBondContact O-N 2.93Å; T91-R95 VanDerWaalsContact O-N 3.08Å
92A98.5Very high97.6Very high48 Ų4857.5 Ų57.540%0.39731%0.307SS..Hα-helixtrans-63.6-48.5176.700000110.8K88 E89 A90 M94 R95 E96K88-A92 WeakPolarHBondContact O-CB 3.45Å; K88-A92 PolarHBondContact O-N 2.95Å; E89-A92 WeakPolarHBondContact O-CB 3.35Å; E89-A92 PolarHBondContact O-N 3.02Å; E89-A92 VanDerWaalsContact O-N 3.09Å; A90-A92 PolarHBondContact O-N 2.74Å; A92-M94 PolarHBondContact O-N 3.45Å; A92-R95 WeakPolarHBondContact O-CA 3.48Å; A92-R95 WeakPolarHBondContact O-CB 3.3Å; A92-R95 PolarHBondContact O-N 2.93Å; A92-E96 PolarHBondContact O-N 3.16Å; A92-E96 VanDerWaalsContact O-N 3.17Å
93T98.7Very high97.5Very high11 Ų1158.4 Ų58.47%0.06731%0.314CS..Hα-helixtrans-59.9-45.1177-51.70000111.6S30 V33 S34 E89 A90 R95 E96 F97S30-T93 WeakPolarHBondContact CB-OG1 3.49Å; S30-T93 PolarHBondContact OG-OG1 2.93Å; V33-T93 HydrophobicContact CB-CG2 4.14Å; V33-T93 HydrophobicContact CG1-CG2 3.87Å; S34-T93 WeakPolarHBondContact OG-CG2 3.39Å; E89-T93 PolarHBondContact O-N 3.5Å; E89-T93 PolarHBondContact O-OG1 3.3Å; A90-T93 PolarHBondContact O-N 3.09Å; T93-R95 PolarHBondContact O-N 2.89Å; T93-E96 WeakPolarHBondContact O-CB 3.2Å; T93-E96 PolarHBondContact O-N 3.39Å; T93-F97 HydrophobicContact CG2-CE2 4.19Å; T93-F97 WeakPolarHBondContact O-CD2 3.24Å; T93-F97 PolarHBondContact O-N 3.39Å
94M98.8Very high97.4Very high0 Ų059.6 Ų59.60%032%0.322CS..Hα-helixtrans-60-35.8176.5-178.157.177.200111.8L27 V33 M37 V48 V82 A90 A92 E96 F97 I98 F110L27-M94 HydrophobicContact CD1-CE 4.05Å; V33-M94 HydrophobicContact CG1-CB 3.97Å; V33-M94 HydrophobicContact CG1-CE 3.84Å; V33-M94 HydrophobicContact CG1-SD 4.39Å; V33-M94 HydrophobicContact CG2-CE 4.49Å; M37-M94 HydrophobicContact CG-CE 4.37Å; M37-M94 HydrophobicContact SD-CE 4.2Å; M37-M94 HydrophobicContact SD-SD 4.36Å; V48-M94 HydrophobicContact CG1-CE 3.92Å; V48-M94 HydrophobicContact CG1-CG 4.02Å; V48-M94 HydrophobicContact CG1-SD 4.02Å; V48-M94 HydrophobicContact CG2-CE 4.14Å; V48-M94 HydrophobicContact CG2-SD 4.19Å; V82-M94 HydrophobicContact CG1-CB 4Å; V82-M94 HydrophobicContact CG1-CE 4.33Å; V82-M94 HydrophobicContact CG1-CG 4.3Å; V82-M94 HydrophobicContact CG2-CB 4.11Å; V82-M94 HydrophobicContact CG2-CG 4.06Å; A90-M94 WeakPolarHBondContact O-CB 3.41Å; A90-M94 PolarHBondContact O-N 3.49Å; A92-M94 PolarHBondContact O-N 3.45Å; M94-E96 VanDerWaalsContact C-N 3.3Å; M94-E96 PolarHBondContact O-N 3.25Å; M94-F97 PolarHBondContact O-N 2.9Å; M94-I98 HydrophobicContact CG-CD1 3.93Å; M94-I98 WeakPolarHBondContact O-CG1 3.25Å; M94-I98 PolarHBondContact O-N 3.37Å; M94-I98 VanDerWaalsContact O-N 3.08Å; M94-F110 HydrophobicContact SD-CE2 4.46Å
95R98.5Very high97.5Very high77 Ų7759.2 Ų59.229%0.29132%0.319SS..Hα-helixtrans-68.6-26.6176.6-74.7165.4170.3173-1.6113.3T91 A92 T93 F97 I98 Q99 S103T91-R95 WeakPolarHBondContact O-CD 3.15Å; T91-R95 VanDerWaalsContact O-CG 3.25Å; T91-R95 WeakPolarHBondContact O-CG 3.4Å; T91-R95 PolarHBondContact O-N 2.93Å; T91-R95 VanDerWaalsContact O-N 3.08Å; A92-R95 WeakPolarHBondContact O-CA 3.48Å; A92-R95 WeakPolarHBondContact O-CB 3.3Å; A92-R95 PolarHBondContact O-N 2.93Å; T93-R95 PolarHBondContact O-N 2.89Å; R95-F97 VanDerWaalsContact C-N 3.31Å; R95-I98 PolarHBondContact O-N 2.92Å; R95-Q99 PolarHBondContact O-N 3.38Å; R95-S103 PolarHBondContact NH2-O 3.29Å
96E98Very high97.7Very high139 Ų13957.1 Ų57.165%0.6530%0.297SS*.Hα-helixtrans-66.8-33.6173-63.8177.5177.300111.9A92 T93 M94 Q99A92-E96 PolarHBondContact O-N 3.16Å; A92-E96 VanDerWaalsContact O-N 3.17Å; T93-E96 WeakPolarHBondContact O-CB 3.2Å; T93-E96 PolarHBondContact O-N 3.39Å; M94-E96 VanDerWaalsContact C-N 3.3Å; M94-E96 PolarHBondContact O-N 3.25Å; E96-Q99 WeakPolarHBondContact O-CG 3.28Å
97F98.2Very high97.9Very high41 Ų4153.4 Ų53.418%0.1828%0.279CS..Hα-helixtrans-73.7-38.4171-70.2-84.9000112.2V33 M37 T93 M94 R95 F110V33-F97 HydrophobicContact CG1-CD2 4.4Å; V33-F97 HydrophobicContact CG1-CE2 4.4Å; M37-F97 HydrophobicContact CB-CD1 3.89Å; M37-F97 HydrophobicContact CB-CD2 4.16Å; M37-F97 HydrophobicContact CB-CE1 3.56Å; M37-F97 HydrophobicContact CB-CE2 3.86Å; M37-F97 HydrophobicContact CB-CG 4.19Å; M37-F97 HydrophobicContact CB-CZ 3.55Å; M37-F97 HydrophobicContact CE-CB 4.2Å; M37-F97 HydrophobicContact CE-CD1 4.11Å; M37-F97 HydrophobicContact CE-CG 4.21Å; M37-F97 HydrophobicContact CG-CD1 4.18Å; M37-F97 HydrophobicContact CG-CD2 3.9Å; M37-F97 HydrophobicContact CG-CE1 4.28Å; M37-F97 HydrophobicContact CG-CE2 4.01Å; M37-F97 HydrophobicContact CG-CG 3.99Å; M37-F97 HydrophobicContact CG-CZ 4.2Å; T93-F97 HydrophobicContact CG2-CE2 4.19Å; T93-F97 WeakPolarHBondContact O-CD2 3.24Å; T93-F97 PolarHBondContact O-N 3.39Å; M94-F97 PolarHBondContact O-N 2.9Å; R95-F97 VanDerWaalsContact C-N 3.31Å; F97-F110 HydrophobicContact CB-CE1 4.42Å; F97-F110 HydrophobicContact CB-CZ 4.3Å
98I98.4Very high98Very high6 Ų652.3 Ų52.33%0.03127%0.273CS..Hα-helixtrans-69-40.2-179.7-65.6166.6000111.8I50 M94 R95 Q100 A108 F110 L115 F118I50-I98 HydrophobicContact CD1-CD1 3.77Å; I50-I98 HydrophobicContact CG1-CD1 4.24Å; M94-I98 HydrophobicContact CG-CD1 3.93Å; M94-I98 WeakPolarHBondContact O-CG1 3.25Å; M94-I98 PolarHBondContact O-N 3.37Å; M94-I98 VanDerWaalsContact O-N 3.08Å; R95-I98 PolarHBondContact O-N 2.92Å; I98-Q100 HydrophobicContact CG2-CB 3.74Å; I98-Q100 HydrophobicContact CG2-CG 3.81Å; I98-Q100 PolarHBondContact O-N 3.21Å; I98-A108 HydrophobicContact CD1-CB 4.02Å; I98-A108 HydrophobicContact CG1-CB 4.02Å; I98-F110 HydrophobicContact CB-CZ 4.43Å; I98-F110 HydrophobicContact CG1-CE2 4.02Å; I98-F110 HydrophobicContact CG1-CZ 3.61Å; I98-L115 HydrophobicContact CG2-CD2 4.21Å; I98-L115 WeakPolarHBondContact O-CD2 3.28Å; I98-F118 HydrophobicContact CD1-CE2 4.39Å; I98-F118 HydrophobicContact CG2-CD2 3.68Å; I98-F118 HydrophobicContact CG2-CE2 3.54Å; I98-F118 HydrophobicContact CG2-CG 4.43Å; I98-F118 HydrophobicContact CG2-CZ 4.14Å
99Q97.3Very high98.1Very high164 Ų16445 Ų4577%0.76624%0.242SC*.  trans53.726.1-179.3-53-175.82800115.1R95 E96R95-Q99 PolarHBondContact O-N 3.38Å; E96-Q99 WeakPolarHBondContact O-CG 3.28Å
100Q97.6Very high98.1Very high103 Ų10338.4 Ų38.448%0.48121%0.211SC..SBendtrans-109.6165.9173-61-60.1-37.500110.9I98 L115 F118I98-Q100 HydrophobicContact CG2-CB 3.74Å; I98-Q100 HydrophobicContact CG2-CG 3.81Å; I98-Q100 PolarHBondContact O-N 3.21Å; Q100-L115 HydrophobicContact CG-CD2 3.75Å; Q100-F118 HydrophobicContact CB-CD1 3.68Å; Q100-F118 HydrophobicContact CB-CE1 3.51Å; Q100-F118 HydrophobicContact CB-CE2 4.49Å; Q100-F118 HydrophobicContact CB-CG 4.22Å; Q100-F118 HydrophobicContact CB-CZ 3.97Å; Q100-F118 HydrophobicContact CG-CB 4.28Å; Q100-F118 HydrophobicContact CG-CD1 3.7Å; Q100-F118 HydrophobicContact CG-CD2 4.44Å; Q100-F118 HydrophobicContact CG-CE1 4.09Å; Q100-F118 HydrophobicContact CG-CG 3.89Å
101A96.4Very high98.1Very high72 Ų7242.4 Ų42.460%0.59523%0.228SC*.  trans-54.5124.1175.800000110.8S103A101-S103 PolarHBondContact O-N 3.16Å
102P97.3Very high98.1Very high95 Ų9542.4 Ų42.462%0.61723%0.229SC*.  trans-70.3125.5-172.727-34.2000110.8
103S97.5Very high98Very high20 Ų2044.4 Ų44.414%0.1423%0.23CC..  trans-140.4169.7171.763.70000110.9R95 A101 S106 P120 R121R95-S103 PolarHBondContact NH2-O 3.29Å; A101-S103 PolarHBondContact O-N 3.16Å; S103-S106 PolarHBondContact O-OG 3.1Å; S103-P120 WeakPolarHBondContact OG-CA 3.34Å; S103-R121 PolarHBondContact OG-N 3.38Å
104S96.8Very high98Very high25 Ų2549.8 Ų49.818%0.17526%0.258CS..SBendtrans-159.1134.8173.464.40000111.1R121S104-R121 WeakPolarHBondContact O-CD 3.43Å; S104-R121 PolarHBondContact O-NH1 3.43Å
105P98.2Very high98Very high1 Ų152.2 Ų52.21%0.00627%0.271CS..SBendcis-66.6153.6-5.432.2-37.4000111.9I50 C56 A57 A61 R121 I124I50-P105 VanDerWaalsContact O-CA 3.3Å; I50-P105 WeakPolarHBondContact O-CA 3.49Å; C56-P105 WeakPolarHBondContact SG-CD 3.38Å; A57-P105 HydrophobicContact CB-CB 3.93Å; A57-P105 HydrophobicContact CB-CG 3.96Å; A61-P105 HydrophobicContact CB-CB 3.51Å; A61-P105 HydrophobicContact CB-CG 3.72Å; P105-R121 VanDerWaalsContact O-CA 3.22Å; P105-R121 WeakPolarHBondContact O-CA 3.46Å; P105-R121 WeakPolarHBondContact O-CB 3.38Å; P105-R121 PolarHBondContact O-N 2.95Å; P105-I124 HydrophobicContact CG-CG2 4.21Å
106S98.6Very high98Very high3 Ų351.1 Ų51.12%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-154.3165.3173.761.20000110I50 S103 M119I50-S106 WeakPolarHBondContact CB-OG 3.33Å; I50-S106 WeakPolarHBondContact CD1-O 3.25Å; I50-S106 WeakPolarHBondContact CD1-OG 3.22Å; I50-S106 PolarHBondContact N-O 3.16Å; I50-S106 PolarHBondContact O-N 2.78Å; S103-S106 PolarHBondContact O-OG 3.1Å; S106-M119 VanDerWaalsContact CA-O 3.31Å; S106-M119 WeakPolarHBondContact CA-O 3.33Å; S106-M119 VanDerWaalsContact CB-O 3.25Å; S106-M119 WeakPolarHBondContact CB-O 3.33Å
107Y98.7Very high98Very high0 Ų047.2 Ų47.20%025%0.253CS..EExtended strand (participates in β ladder)trans-123.9147.2176.7-50.4-58000111.8F47 V48 V49 A61 A65 F118 M119 I124 I132 L136F47-Y107 HydrophobicContact CE2-CD1 4.15Å; F47-Y107 HydrophobicContact CE2-CG 4.06Å; F47-Y107 AromaticContact CZ-CD1 3.77Å; F47-Y107 HydrophobicContact CZ-CD1 3.77Å; F47-Y107 HydrophobicContact CZ-CE1 4.26Å; F47-Y107 HydrophobicContact CZ-CG 4.05Å; V48-Y107 WeakPolarHBondContact O-CA 3.35Å; V49-Y107 HydrophobicContact CB-CD1 4.44Å; V49-Y107 HydrophobicContact CG1-CD1 4.29Å; V49-Y107 HydrophobicContact CG1-CE1 4.13Å; V49-Y107 HydrophobicContact CG2-CD1 3.97Å; V49-Y107 HydrophobicContact CG2-CE1 4.1Å; A61-Y107 WeakPolarHBondContact CA-OH 3.32Å; A61-Y107 HydrophobicContact CB-CE1 4.29Å; A61-Y107 PolarHBondContact O-OH 3.16Å; A65-Y107 HydrophobicContact CB-CE1 3.85Å; Y107-F118 WeakPolarHBondContact O-CA 3.25Å; Y107-F118 WeakPolarHBondContact O-CD2 3.47Å; Y107-F118 WeakPolarHBondContact O-CE2 3.38Å; Y107-M119 HydrophobicContact CD2-CB 3.92Å; Y107-M119 HydrophobicContact CD2-CE 4.34Å; Y107-M119 HydrophobicContact CD2-CG 4.25Å; Y107-M119 HydrophobicContact CD2-SD 3.61Å; Y107-M119 HydrophobicContact CE2-SD 3.73Å; Y107-M119 PolarHBondContact N-O 3.42Å; Y107-M119 PolarHBondContact O-N 2.86Å; Y107-I124 HydrophobicContact CD2-CD1 3.9Å; Y107-I124 HydrophobicContact CE2-CD1 3.63Å; Y107-I124 HydrophobicContact CE2-CG1 4.08Å; Y107-I132 HydrophobicContact CE2-CG2 3.93Å; Y107-L136 HydrophobicContact CD2-CD1 4.21Å; Y107-L136 HydrophobicContact CD2-CD2 3.71Å; Y107-L136 HydrophobicContact CD2-CG 4.26Å; Y107-L136 HydrophobicContact CE2-CD1 3.82Å; Y107-L136 HydrophobicContact CE2-CD2 4.18Å; Y107-L136 HydrophobicContact CE2-CG 4.24Å; Y107-L136 HydrophobicContact CG-CD2 4.1Å
108A98.8Very high98Very high0 Ų047.2 Ų47.20%025%0.252CS..EExtended strand (participates in β ladder)trans-131.7142.4168.400000109.6F47 V48 I50 I98 F110 L115 Y117 F118F47-A108 WeakPolarHBondContact CD2-O 3.35Å; V48-A108 HydrophobicContact CB-CB 4.23Å; V48-A108 PolarHBondContact N-O 2.88Å; V48-A108 PolarHBondContact O-N 3.21Å; I50-A108 HydrophobicContact CD1-CB 4.43Å; I98-A108 HydrophobicContact CD1-CB 4.02Å; I98-A108 HydrophobicContact CG1-CB 4.02Å; A108-F110 HydrophobicContact CB-CD2 4.22Å; A108-F110 HydrophobicContact CB-CE2 3.61Å; A108-F110 HydrophobicContact CB-CZ 4.35Å; A108-L115 HydrophobicContact CB-CD1 3.7Å; A108-Y117 CarbonylContact C-O 3.6Å; A108-Y117 WeakPolarHBondContact CA-O 3.34Å; A108-F118 HydrophobicContact CB-CD2 4Å
109L98.8Very high98Very high0 Ų047 Ų470%025%0.252CS..EExtended strand (participates in β ladder)trans-118.7129.4167.6-171.765.2000107.8T46 F47 P76 V116 Y117 F140 N143T46-L109 WeakPolarHBondContact O-CA 3.43Å; F47-L109 HydrophobicContact CB-CD1 3.99Å; F47-L109 HydrophobicContact CD2-CD1 4.48Å; P76-L109 HydrophobicContact CB-CD1 4.13Å; L109-V116 HydrophobicContact CB-CG2 4.06Å; L109-V116 HydrophobicContact CD2-CG2 4.02Å; L109-V116 HydrophobicContact CG-CG2 3.82Å; L109-V116 VanDerWaalsContact O-CG2 3.28Å; L109-V116 WeakPolarHBondContact O-CG2 3.34Å; L109-V116 PolarHBondContact O-N 3.27Å; L109-Y117 PolarHBondContact N-O 3.42Å; L109-Y117 PolarHBondContact O-N 3.26Å; L109-F140 HydrophobicContact CD1-CD1 4.3Å; L109-F140 HydrophobicContact CD1-CE1 4.07Å; L109-F140 HydrophobicContact CD2-CD1 4.02Å; L109-F140 HydrophobicContact CD2-CE1 4.43Å; L109-N143 HydrophobicContact CD2-CB 3.75Å
110F98.7Very high98.1Very high0 Ų040.4 Ų40.40%022%0.223CC..EExtended strand (participates in β ladder)trans-114.2151.3176.6-68.6-91.9000110.4M37 T45 T46 V48 M94 F97 I98 A108 Q113 D114 L115M37-F110 HydrophobicContact CE-CD1 3.92Å; M37-F110 HydrophobicContact CE-CD2 4.3Å; M37-F110 HydrophobicContact CE-CE1 4.02Å; M37-F110 HydrophobicContact CE-CE2 4.38Å; M37-F110 HydrophobicContact CE-CG 4.06Å; M37-F110 HydrophobicContact CE-CZ 4.24Å; T45-F110 CarbonylContact C-O 3.57Å; T45-F110 WeakPolarHBondContact CA-O 3.4Å; T46-F110 PolarHBondContact N-O 2.94Å; T46-F110 PolarHBondContact O-N 2.92Å; V48-F110 HydrophobicContact CG2-CD2 3.87Å; V48-F110 HydrophobicContact CG2-CE2 3.9Å; M94-F110 HydrophobicContact SD-CE2 4.46Å; F97-F110 HydrophobicContact CB-CE1 4.42Å; F97-F110 HydrophobicContact CB-CZ 4.3Å; I98-F110 HydrophobicContact CB-CZ 4.43Å; I98-F110 HydrophobicContact CG1-CE2 4.02Å; I98-F110 HydrophobicContact CG1-CZ 3.61Å; A108-F110 HydrophobicContact CB-CD2 4.22Å; A108-F110 HydrophobicContact CB-CE2 3.61Å; A108-F110 HydrophobicContact CB-CZ 4.35Å; F110-Q113 WeakPolarHBondContact CD1-O 3.49Å; F110-D114 CarbonylContact C-O 3.53Å; F110-D114 WeakPolarHBondContact CA-O 3.42Å; F110-L115 HydrophobicContact CD1-CB 4.08Å; F110-L115 HydrophobicContact CD1-CD1 4.22Å; F110-L115 HydrophobicContact CD2-CD1 4.33Å; F110-L115 HydrophobicContact CE1-CB 3.77Å; F110-L115 HydrophobicContact CE1-CD1 3.77Å; F110-L115 HydrophobicContact CE1-CG 4.4Å; F110-L115 HydrophobicContact CE2-CD1 3.91Å; F110-L115 HydrophobicContact CG-CD1 4.49Å; F110-L115 HydrophobicContact CZ-CB 4.44Å; F110-L115 HydrophobicContact CZ-CD1 3.62Å
111K98.2Very high98.1Very high83 Ų8338.7 Ų38.736%0.36121%0.212SC..EExtended strand (participates in β ladder)trans-118.3112.6159.4-175.1167.9-175.7166.80107.7D44 T45 Q113 D114 V116D44-K111 CarbonylContact O-C 3.47Å; D44-K111 WeakPolarHBondContact O-CA 3.49Å; T45-K111 HydrophobicContact CG2-CB 4.26Å; T45-K111 HydrophobicContact CG2-CG 4.27Å; K111-Q113 PolarHBondContact O-N 3.01Å; K111-D114 PolarHBondContact N-O 3.13Å; K111-D114 PolarHBondContact O-N 3.05Å; K111-V116 HydrophobicContact CB-CG1 3.93Å
112G97.7Very high98.1Very high3 Ų342.6 Ų42.63%0.03122%0.218CC..THydrogen-bonded Turntrans57.8-120.2-161.300000110.7V40 N41 A42 D44V40-G112 WeakPolarHBondContact CG1-O 3.5Å; N41-G112 WeakPolarHBondContact O-CA 3.43Å; A42-G112 PolarHBondContact O-N 2.65Å; D44-G112 PolarHBondContact O-N 3.35Å
113Q97.5Very high98Very high90 Ų9043.5 Ų43.542%0.42121%0.212SC..THydrogen-bonded Turntrans-99-4.3174.3-66.5-171.935.500113.6M37 V40 F110 K111M37-Q113 WeakPolarHBondContact O-CG 3.37Å; M37-Q113 PolarHBondContact O-NE2 3.37Å; M37-Q113 VanDerWaalsContact O-NE2 3.14Å; V40-Q113 HydrophobicContact CG1-CG 4.29Å; F110-Q113 WeakPolarHBondContact CD1-O 3.49Å; K111-Q113 PolarHBondContact O-N 3.01Å
114D97.6Very high98Very high123 Ų12342.5 Ų42.566%0.65821%0.205SC*.EExtended strand (participates in β ladder)trans-82.7123.8-178-66.1-37.3000110F110 K111 V116F110-D114 CarbonylContact C-O 3.53Å; F110-D114 WeakPolarHBondContact CA-O 3.42Å; K111-D114 PolarHBondContact N-O 3.13Å; K111-D114 PolarHBondContact O-N 3.05Å; D114-V116 PolarHBondContact O-N 2.94Å
115L98.5Very high98Very high51 Ų5146 Ų4627%0.26722%0.219SC..EExtended strand (participates in β ladder)trans-72.2115.3173.4-17677.8000109.3I98 Q100 A108 F110 F118I98-L115 HydrophobicContact CG2-CD2 4.21Å; I98-L115 WeakPolarHBondContact O-CD2 3.28Å; Q100-L115 HydrophobicContact CG-CD2 3.75Å; A108-L115 HydrophobicContact CB-CD1 3.7Å; F110-L115 HydrophobicContact CD1-CB 4.08Å; F110-L115 HydrophobicContact CD1-CD1 4.22Å; F110-L115 HydrophobicContact CD2-CD1 4.33Å; F110-L115 HydrophobicContact CE1-CB 3.77Å; F110-L115 HydrophobicContact CE1-CD1 3.77Å; F110-L115 HydrophobicContact CE1-CG 4.4Å; F110-L115 HydrophobicContact CE2-CD1 3.91Å; F110-L115 HydrophobicContact CG-CD1 4.49Å; F110-L115 HydrophobicContact CZ-CB 4.44Å; F110-L115 HydrophobicContact CZ-CD1 3.62Å; L115-F118 HydrophobicContact CD2-CB 4.13Å
116V98.3Very high97.8Very high55 Ų5549.7 Ų49.733%0.33326%0.257SS..EExtended strand (participates in β ladder)trans-104.5-23.2-178.4-63.70000113.1L109 K111 D114 N143L109-V116 HydrophobicContact CB-CG2 4.06Å; L109-V116 HydrophobicContact CD2-CG2 4.02Å; L109-V116 HydrophobicContact CG-CG2 3.82Å; L109-V116 VanDerWaalsContact O-CG2 3.28Å; L109-V116 WeakPolarHBondContact O-CG2 3.34Å; L109-V116 PolarHBondContact O-N 3.27Å; K111-V116 HydrophobicContact CB-CG1 3.93Å; D114-V116 PolarHBondContact O-N 2.94Å; V116-N143 WeakPolarHBondContact CB-OD1 3.33Å; V116-N143 HydrophobicContact CG2-CB 3.99Å
117Y98.6Very high97.7Very high57 Ų5752.9 Ų52.922%0.22427%0.269CS..EExtended strand (participates in β ladder)trans-150.1144.7174.8175.8-92.8000111.3A108 L109 M119 L136 A139A108-Y117 CarbonylContact C-O 3.6Å; A108-Y117 WeakPolarHBondContact CA-O 3.34Å; L109-Y117 PolarHBondContact N-O 3.42Å; L109-Y117 PolarHBondContact O-N 3.26Å; Y117-M119 HydrophobicContact CE1-CB 3.9Å; Y117-M119 HydrophobicContact CE1-CE 4.44Å; Y117-M119 WeakPolarHBondContact OH-CE 3.43Å; Y117-L136 HydrophobicContact CE1-CD2 4.29Å; Y117-A139 HydrophobicContact CD1-CB 3.77Å; Y117-A139 HydrophobicContact CD2-CB 3.63Å; Y117-A139 HydrophobicContact CE1-CB 3.99Å; Y117-A139 HydrophobicContact CE2-CB 3.85Å; Y117-A139 HydrophobicContact CG-CB 3.58Å
118F98.7Very high97.6Very high40 Ų4056.8 Ų56.818%0.17529%0.29CS..EExtended strand (participates in β ladder)trans-144.6132.8176-174.1-109.3000111I98 Q100 Y107 A108 L115 P120I98-F118 HydrophobicContact CD1-CE2 4.39Å; I98-F118 HydrophobicContact CG2-CD2 3.68Å; I98-F118 HydrophobicContact CG2-CE2 3.54Å; I98-F118 HydrophobicContact CG2-CG 4.43Å; I98-F118 HydrophobicContact CG2-CZ 4.14Å; Q100-F118 HydrophobicContact CB-CD1 3.68Å; Q100-F118 HydrophobicContact CB-CE1 3.51Å; Q100-F118 HydrophobicContact CB-CE2 4.49Å; Q100-F118 HydrophobicContact CB-CG 4.22Å; Q100-F118 HydrophobicContact CB-CZ 3.97Å; Q100-F118 HydrophobicContact CG-CB 4.28Å; Q100-F118 HydrophobicContact CG-CD1 3.7Å; Q100-F118 HydrophobicContact CG-CD2 4.44Å; Q100-F118 HydrophobicContact CG-CE1 4.09Å; Q100-F118 HydrophobicContact CG-CG 3.89Å; Y107-F118 WeakPolarHBondContact O-CA 3.25Å; Y107-F118 WeakPolarHBondContact O-CD2 3.47Å; Y107-F118 WeakPolarHBondContact O-CE2 3.38Å; A108-F118 HydrophobicContact CB-CD2 4Å; L115-F118 HydrophobicContact CD2-CB 4.13Å; F118-P120 HydrophobicContact CD1-CB 4.41Å; F118-P120 HydrophobicContact CD1-CG 4.39Å; F118-P120 HydrophobicContact CE1-CB 3.77Å; F118-P120 HydrophobicContact CE1-CG 4.21Å; F118-P120 HydrophobicContact CZ-CB 4.47Å
119M98.5Very high97.5Very high3 Ų359.5 Ų59.52%0.01530%0.304CS..EExtended strand (participates in β ladder)trans-120.8104.2174.3-173.3-170-68.500109S106 Y107 Y117 F123 I124 I132 D135 L136S106-M119 VanDerWaalsContact CA-O 3.31Å; S106-M119 WeakPolarHBondContact CA-O 3.33Å; S106-M119 VanDerWaalsContact CB-O 3.25Å; S106-M119 WeakPolarHBondContact CB-O 3.33Å; Y107-M119 HydrophobicContact CD2-CB 3.92Å; Y107-M119 HydrophobicContact CD2-CE 4.34Å; Y107-M119 HydrophobicContact CD2-CG 4.25Å; Y107-M119 HydrophobicContact CD2-SD 3.61Å; Y107-M119 HydrophobicContact CE2-SD 3.73Å; Y107-M119 PolarHBondContact N-O 3.42Å; Y107-M119 PolarHBondContact O-N 2.86Å; Y117-M119 HydrophobicContact CE1-CB 3.9Å; Y117-M119 HydrophobicContact CE1-CE 4.44Å; Y117-M119 WeakPolarHBondContact OH-CE 3.43Å; M119-F123 HydrophobicContact CG-CB 3.61Å; M119-F123 HydrophobicContact SD-CB 4.39Å; M119-I124 HydrophobicContact CG-CD1 4.43Å; M119-I124 HydrophobicContact CG-CG1 4.05Å; M119-I124 HydrophobicContact SD-CD1 4.13Å; M119-I124 HydrophobicContact SD-CG1 3.51Å; M119-I124 VanDerWaalsContact SD-CG1 3.51Å; M119-I132 HydrophobicContact CE-CG2 4.29Å; M119-I132 HydrophobicContact SD-CG2 4Å; M119-D135 HydrophobicContact CE-CB 3.52Å; M119-L136 HydrophobicContact CE-CD2 4.43Å; M119-L136 HydrophobicContact CE-CG 4.26Å
120P98.2Very high97.4Very high24 Ų2464.1 Ų64.116%0.15633%0.328CS..  trans-73.1166.8176.224.3-23.3000111.3S103 F118 E122 F123S103-P120 WeakPolarHBondContact OG-CA 3.34Å; F118-P120 HydrophobicContact CD1-CB 4.41Å; F118-P120 HydrophobicContact CD1-CG 4.39Å; F118-P120 HydrophobicContact CE1-CB 3.77Å; F118-P120 HydrophobicContact CE1-CG 4.21Å; F118-P120 HydrophobicContact CZ-CB 4.47Å; P120-E122 PolarHBondContact O-N 3.44Å; P120-F123 HydrophobicContact CG-CD2 3.75Å; P120-F123 HydrophobicContact CG-CE2 4.19Å; P120-F123 PolarHBondContact O-N 3.37Å
121R97.9Very high97.3Very high67 Ų6767.8 Ų67.825%0.25335%0.348SS..G310 helixtrans-49-37.1178.7179.2-174.2175.8135.9-6.1113.6S103 S104 P105 F123 I124 E125S103-R121 PolarHBondContact OG-N 3.38Å; S104-R121 WeakPolarHBondContact O-CD 3.43Å; S104-R121 PolarHBondContact O-NH1 3.43Å; P105-R121 VanDerWaalsContact O-CA 3.22Å; P105-R121 WeakPolarHBondContact O-CA 3.46Å; P105-R121 WeakPolarHBondContact O-CB 3.38Å; P105-R121 PolarHBondContact O-N 2.95Å; R121-F123 PolarHBondContact O-N 3.11Å; R121-F123 VanDerWaalsContact O-N 3.15Å; R121-I124 WeakPolarHBondContact O-CA 3.49Å; R121-I124 PolarHBondContact O-N 2.73Å; R121-E125 HydrophobicContact CG-CB 4.21Å; R121-E125 IonicContact CZ-OE1 2.65Å; R121-E125 IonicContact CZ-OE2 3.76Å; R121-E125 IonicContact NE-OE1 3.2Å; R121-E125 IonicContact NE-OE2 3.78Å; R121-E125 PolarHBondContact NE-OE2 3.07Å; R121-E125 IonicContact NH2-OE1 3.23Å; R121-E125 PolarHBondContact NH2-OE1 2.84Å; R121-E125 IonicContact NH2-OE2 2.94Å; R121-E125 PolarHBondContact NH2-OE2 3.36Å; R121-E125 WeakPolarHBondContact O-CB 3.2Å; R121-E125 PolarHBondContact O-N 2.76Å
122E96.3Very high97.3Very high154 Ų15463.8 Ų63.872%0.7233%0.33SS*.G310 helixtrans-59.5-25.2-178-53.1177.1-119.800112.7P120P120-E122 PolarHBondContact O-N 3.44Å
123F96.6Very high97.3Very high114 Ų11464.8 Ų64.850%0.534%0.338SS..G310 helixtrans-98.210.4177-71.2-101.1000112.8M119 P120 R121 R127M119-F123 HydrophobicContact CG-CB 3.61Å; M119-F123 HydrophobicContact SD-CB 4.39Å; P120-F123 HydrophobicContact CG-CD2 3.75Å; P120-F123 HydrophobicContact CG-CE2 4.19Å; P120-F123 PolarHBondContact O-N 3.37Å; R121-F123 PolarHBondContact O-N 3.11Å; R121-F123 VanDerWaalsContact O-N 3.15Å; F123-R127 WeakPolarHBondContact O-CD 3.19Å; F123-R127 PolarHBondContact O-NH1 3.38Å
124I97.6Very high97.3Very high0 Ų066 Ų660%035%0.345CS..THydrogen-bonded Turntrans-121.2-48176.6-62.3170.9000109.4L60 A61 P105 Y107 M119 R121 G126 R127 I132L60-I124 HydrophobicContact CB-CG2 4.18Å; L60-I124 VanDerWaalsContact CD1-O 3.28Å; L60-I124 WeakPolarHBondContact CD1-O 3.35Å; A61-I124 HydrophobicContact CB-CG2 4.11Å; P105-I124 HydrophobicContact CG-CG2 4.21Å; Y107-I124 HydrophobicContact CD2-CD1 3.9Å; Y107-I124 HydrophobicContact CE2-CD1 3.63Å; Y107-I124 HydrophobicContact CE2-CG1 4.08Å; M119-I124 HydrophobicContact CG-CD1 4.43Å; M119-I124 HydrophobicContact CG-CG1 4.05Å; M119-I124 HydrophobicContact SD-CD1 4.13Å; M119-I124 HydrophobicContact SD-CG1 3.51Å; M119-I124 VanDerWaalsContact SD-CG1 3.51Å; R121-I124 WeakPolarHBondContact O-CA 3.49Å; R121-I124 PolarHBondContact O-N 2.73Å; I124-G126 PolarHBondContact O-N 3.45Å; I124-R127 PolarHBondContact O-N 2.76Å; I124-I132 HydrophobicContact CG2-CD1 4.11Å
125E95.8Very high97.3Very high98 Ų9862.5 Ų62.546%0.45833%0.327SS..THydrogen-bonded Turntrans-65125.7-174.3-177.2165-141.400112.1R121 R127R121-E125 HydrophobicContact CG-CB 4.21Å; R121-E125 IonicContact CZ-OE1 2.65Å; R121-E125 IonicContact CZ-OE2 3.76Å; R121-E125 IonicContact NE-OE1 3.2Å; R121-E125 IonicContact NE-OE2 3.78Å; R121-E125 PolarHBondContact NE-OE2 3.07Å; R121-E125 IonicContact NH2-OE1 3.23Å; R121-E125 PolarHBondContact NH2-OE1 2.84Å; R121-E125 IonicContact NH2-OE2 2.94Å; R121-E125 PolarHBondContact NH2-OE2 3.36Å; R121-E125 WeakPolarHBondContact O-CB 3.2Å; R121-E125 PolarHBondContact O-N 2.76Å; E125-R127 PolarHBondContact O-N 2.95Å
126G94.4Very high97.3Very high78 Ų7860.1 Ų60.180%0.80431%0.314SS*.THydrogen-bonded Turntrans76.44.1176.900000115.3I124I124-G126 PolarHBondContact O-N 3.45Å
127R96.6Very high97.3Very high70 Ų7061.1 Ų61.126%0.26431%0.314SS..SBendtrans-91.8163.2177.5-71-175.270.3-164.94.2113F123 I124 E125 I132 D135F123-R127 WeakPolarHBondContact O-CD 3.19Å; F123-R127 PolarHBondContact O-NH1 3.38Å; I124-R127 PolarHBondContact O-N 2.76Å; E125-R127 PolarHBondContact O-N 2.95Å; R127-I132 HydrophobicContact CB-CD1 4.14Å; R127-I132 HydrophobicContact CB-CG1 4.12Å; R127-D135 IonicContact CZ-OD2 3.66Å; R127-D135 VanDerWaalsContact CZ-OD2 3.23Å; R127-D135 IonicContact NH1-OD2 3.23Å; R127-D135 PolarHBondContact NH1-OD2 2.68Å; R127-D135 IonicContact NH2-OD1 3.65Å; R127-D135 IonicContact NH2-OD2 3.67Å; R127-D135 PolarHBondContact NH2-OD2 3.39Å
128D96.7Very high97.3Very high83 Ų8363.2 Ų63.244%0.44433%0.329SS..  trans-69.8138.7168.5-165.2-79.8000110.1N130 D131 I132D128-N130 VanDerWaalsContact C-N 3.26Å; D128-N130 PolarHBondContact O-N 3.36Å; D128-N130 VanDerWaalsContact OD1-CB 3.28Å; D128-N130 WeakPolarHBondContact OD1-CB 3.3Å; D128-N130 PolarHBondContact OD1-N 3.42Å; D128-N130 PolarHBondContact OD1-ND2 3.26Å; D128-D131 PolarHBondContact O-N 2.88Å; D128-I132 WeakPolarHBondContact O-CG1 3.39Å; D128-I132 PolarHBondContact O-N 3.36Å
129I96.5Very high97.3Very high57 Ų5761.5 Ų61.529%0.29232%0.322SS..Hα-helixtrans-63.3-32.5-179.3-170.4170.8000112.5L60 P63 A64 I132 A133L60-I129 HydrophobicContact CD2-CB 4.16Å; P63-I129 HydrophobicContact CB-CD1 3.74Å; A64-I129 HydrophobicContact CB-CG1 4.09Å; I129-I132 PolarHBondContact O-N 2.9Å; I129-A133 WeakPolarHBondContact O-CB 3.23Å; I129-A133 PolarHBondContact O-N 3.02Å
130N96.6Very high97.3Very high97 Ų9761.4 Ų61.452%0.51932%0.321SS..Hα-helixtrans-68.7-38.1179.2-60.3-68000110.9D128 A133 M134D128-N130 VanDerWaalsContact C-N 3.26Å; D128-N130 PolarHBondContact O-N 3.36Å; D128-N130 VanDerWaalsContact OD1-CB 3.28Å; D128-N130 WeakPolarHBondContact OD1-CB 3.3Å; D128-N130 PolarHBondContact OD1-N 3.42Å; D128-N130 PolarHBondContact OD1-ND2 3.26Å; N130-A133 PolarHBondContact O-N 3.16Å; N130-M134 VanDerWaalsContact O-CG 3.31Å; N130-M134 WeakPolarHBondContact O-CG 3.41Å; N130-M134 PolarHBondContact O-N 3.07Å
131D97.4Very high97.2Very high76 Ų7662.1 Ų62.141%0.40632%0.324SS..Hα-helixtrans-64.9-42.1176.6-61.9-21.5000110.8D128 A133 M134 D135D128-D131 PolarHBondContact O-N 2.88Å; D131-A133 VanDerWaalsContact C-N 3.31Å; D131-A133 PolarHBondContact O-N 3.43Å; D131-M134 PolarHBondContact O-N 3.17Å; D131-D135 PolarHBondContact O-N 3.02Å
132I98.1Very high97.2Very high0 Ų065.7 Ų65.70%034%0.343CS..Hα-helixtrans-61.2-43175.1-60.9164.7000110.4L60 A64 Y107 M119 I124 R127 D128 I129 D135 L136L60-I132 HydrophobicContact CB-CD1 3.97Å; L60-I132 HydrophobicContact CD1-CD1 4.4Å; A64-I132 HydrophobicContact CB-CB 4.41Å; A64-I132 HydrophobicContact CB-CG2 3.86Å; Y107-I132 HydrophobicContact CE2-CG2 3.93Å; M119-I132 HydrophobicContact CE-CG2 4.29Å; M119-I132 HydrophobicContact SD-CG2 4Å; I124-I132 HydrophobicContact CG2-CD1 4.11Å; R127-I132 HydrophobicContact CB-CD1 4.14Å; R127-I132 HydrophobicContact CB-CG1 4.12Å; D128-I132 WeakPolarHBondContact O-CG1 3.39Å; D128-I132 PolarHBondContact O-N 3.36Å; I129-I132 PolarHBondContact O-N 2.9Å; I132-D135 PolarHBondContact O-N 2.97Å; I132-L136 HydrophobicContact CG2-CD1 4.46Å; I132-L136 WeakPolarHBondContact O-CG 3.38Å; I132-L136 PolarHBondContact O-N 3.5Å; I132-L136 VanDerWaalsContact O-N 3.09Å
133A97.6Very high97.2Very high23 Ų2360 Ų6019%0.1932%0.318CS..Hα-helixtrans-67.3-37.117900000112.4V68 I129 N130 D131 L136 K137V68-A133 HydrophobicContact CG2-CB 3.72Å; V68-A133 WeakPolarHBondContact CG2-O 3.37Å; I129-A133 WeakPolarHBondContact O-CB 3.23Å; I129-A133 PolarHBondContact O-N 3.02Å; N130-A133 PolarHBondContact O-N 3.16Å; D131-A133 VanDerWaalsContact C-N 3.31Å; D131-A133 PolarHBondContact O-N 3.43Å; A133-L136 PolarHBondContact O-N 3.08Å; A133-K137 WeakPolarHBondContact O-CB 3.2Å; A133-K137 PolarHBondContact O-N 2.96Å
134M97.6Very high97.2Very high116 Ų11655.1 Ų55.157%0.57130%0.298SS*.Hα-helixtrans-64.3-46.9174.2-74.2180-169.500111.2N130 D131 L136 K137 D138N130-M134 VanDerWaalsContact O-CG 3.31Å; N130-M134 WeakPolarHBondContact O-CG 3.41Å; N130-M134 PolarHBondContact O-N 3.07Å; D131-M134 PolarHBondContact O-N 3.17Å; M134-L136 VanDerWaalsContact C-N 3.29Å; M134-L136 PolarHBondContact O-N 3.2Å; M134-K137 WeakPolarHBondContact O-CB 3.46Å; M134-K137 PolarHBondContact O-N 3.5Å; M134-K137 VanDerWaalsContact O-N 3.1Å; M134-D138 PolarHBondContact O-N 3.44Å
135D98.1Very high96.7Very high50 Ų5064.9 Ų64.927%0.26734%0.34SS..Hα-helixtrans-59.4-41177.4-68.6-19.4000111.8M119 R127 D131 I132 A139M119-D135 HydrophobicContact CE-CB 3.52Å; R127-D135 IonicContact CZ-OD2 3.66Å; R127-D135 VanDerWaalsContact CZ-OD2 3.23Å; R127-D135 IonicContact NH1-OD2 3.23Å; R127-D135 PolarHBondContact NH1-OD2 2.68Å; R127-D135 IonicContact NH2-OD1 3.65Å; R127-D135 IonicContact NH2-OD2 3.67Å; R127-D135 PolarHBondContact NH2-OD2 3.39Å; D131-D135 PolarHBondContact O-N 3.02Å; I132-D135 PolarHBondContact O-N 2.97Å; D135-A139 WeakPolarHBondContact O-CB 3.44Å; D135-A139 PolarHBondContact O-N 3.31Å; D135-A139 VanDerWaalsContact O-N 3.1Å
136L98.3Very high96.8Very high0 Ų063.2 Ų63.20%033%0.334CS..Hα-helixtrans-66.2-41.1174.9-76.4176.6000112.4F47 A64 V68 Y107 Y117 M119 I132 A133 M134 A139 F140F47-L136 HydrophobicContact CE2-CD2 3.67Å; F47-L136 HydrophobicContact CZ-CD1 4.23Å; F47-L136 HydrophobicContact CZ-CD2 3.82Å; A64-L136 HydrophobicContact CB-CD1 4.4Å; V68-L136 HydrophobicContact CB-CB 4.24Å; V68-L136 HydrophobicContact CG1-CB 3.99Å; V68-L136 HydrophobicContact CG2-CB 4.03Å; V68-L136 HydrophobicContact CG2-CD1 4.36Å; Y107-L136 HydrophobicContact CD2-CD1 4.21Å; Y107-L136 HydrophobicContact CD2-CD2 3.71Å; Y107-L136 HydrophobicContact CD2-CG 4.26Å; Y107-L136 HydrophobicContact CE2-CD1 3.82Å; Y107-L136 HydrophobicContact CE2-CD2 4.18Å; Y107-L136 HydrophobicContact CE2-CG 4.24Å; Y107-L136 HydrophobicContact CG-CD2 4.1Å; Y117-L136 HydrophobicContact CE1-CD2 4.29Å; M119-L136 HydrophobicContact CE-CD2 4.43Å; M119-L136 HydrophobicContact CE-CG 4.26Å; I132-L136 HydrophobicContact CG2-CD1 4.46Å; I132-L136 WeakPolarHBondContact O-CG 3.38Å; I132-L136 PolarHBondContact O-N 3.5Å; I132-L136 VanDerWaalsContact O-N 3.09Å; A133-L136 PolarHBondContact O-N 3.08Å; M134-L136 VanDerWaalsContact C-N 3.29Å; M134-L136 PolarHBondContact O-N 3.2Å; L136-A139 PolarHBondContact O-N 2.89Å; L136-F140 WeakPolarHBondContact O-CD1 3.43Å; L136-F140 WeakPolarHBondContact O-CG 3.48Å; L136-F140 PolarHBondContact O-N 3.06Å
137K97.8Very high96.9Very high77 Ų7762.4 Ų62.434%0.33531%0.31SS..Hα-helixtrans-60.9-47.3176.6167166174.248.20110.8V68 N72 A133 M134 A139 F140 D141V68-K137 HydrophobicContact CG1-CB 4.27Å; N72-K137 WeakPolarHBondContact OD1-CD 3.5Å; N72-K137 WeakPolarHBondContact OD1-CG 3.36Å; N72-K137 PolarHBondContact OD1-NZ 2.91Å; A133-K137 WeakPolarHBondContact O-CB 3.2Å; A133-K137 PolarHBondContact O-N 2.96Å; M134-K137 WeakPolarHBondContact O-CB 3.46Å; M134-K137 PolarHBondContact O-N 3.5Å; M134-K137 VanDerWaalsContact O-N 3.1Å; K137-A139 VanDerWaalsContact C-N 3.32Å; K137-A139 PolarHBondContact O-N 3.27Å; K137-F140 PolarHBondContact O-N 3.23Å; K137-F140 VanDerWaalsContact O-N 3.14Å; K137-D141 IonicContact NZ-OD1 2.92Å; K137-D141 PolarHBondContact NZ-OD1 3.15Å; K137-D141 IonicContact NZ-OD2 2.8Å; K137-D141 PolarHBondContact NZ-OD2 2.89Å; K137-D141 WeakPolarHBondContact O-CB 3.48Å; K137-D141 VanDerWaalsContact O-CG 3.31Å; K137-D141 PolarHBondContact O-N 3.2Å
138D98Very high96.9Very high101 Ų10162 Ų6254%0.5431%0.312SS..Hα-helixtrans-61.6-43179.7-71.8-9.6000110.8M134 F140 D141 E142M134-D138 PolarHBondContact O-N 3.44Å; D138-F140 VanDerWaalsContact C-N 3.32Å; D138-F140 PolarHBondContact O-N 3.03Å; D138-D141 PolarHBondContact O-N 3.36Å; D138-E142 WeakPolarHBondContact O-CB 3.38Å; D138-E142 PolarHBondContact O-N 3.37Å
139A98.3Very high96.9Very high3 Ų360.8 Ų60.83%0.02531%0.305CS..Hα-helixtrans-59.9-40174.400000112.8Y117 D135 L136 K137 N143Y117-A139 HydrophobicContact CD1-CB 3.77Å; Y117-A139 HydrophobicContact CD2-CB 3.63Å; Y117-A139 HydrophobicContact CE1-CB 3.99Å; Y117-A139 HydrophobicContact CE2-CB 3.85Å; Y117-A139 HydrophobicContact CG-CB 3.58Å; D135-A139 WeakPolarHBondContact O-CB 3.44Å; D135-A139 PolarHBondContact O-N 3.31Å; D135-A139 VanDerWaalsContact O-N 3.1Å; L136-A139 PolarHBondContact O-N 2.89Å; K137-A139 VanDerWaalsContact C-N 3.32Å; K137-A139 PolarHBondContact O-N 3.27Å; A139-N143 WeakPolarHBondContact O-CB 3.4Å; A139-N143 PolarHBondContact O-N 3.4Å; A139-N143 VanDerWaalsContact O-N 3.15Å; A139-N143 PolarHBondContact O-ND2 3.01Å
140F98.3Very high97Very high1 Ų161 Ų610%0.00431%0.305CS..Hα-helixtrans-71.2-44.1177.7-72.68.3000111.7F47 V68 A69 N72 P76 L109 L136 K137 D138 E142 N143 C144F47-F140 HydrophobicContact CB-CE1 4.26Å; F47-F140 HydrophobicContact CB-CZ 4.09Å; F47-F140 HydrophobicContact CD1-CE1 4.47Å; F47-F140 AromaticContact CD1-CZ 3.75Å; F47-F140 HydrophobicContact CD1-CZ 3.75Å; F47-F140 AromaticContact CD2-CE1 3.69Å; F47-F140 HydrophobicContact CD2-CE1 3.69Å; F47-F140 AromaticContact CD2-CZ 3.8Å; F47-F140 HydrophobicContact CD2-CZ 3.8Å; F47-F140 HydrophobicContact CE1-CZ 4.04Å; F47-F140 HydrophobicContact CE2-CE1 4.04Å; F47-F140 HydrophobicContact CE2-CZ 4.06Å; F47-F140 AromaticContact CG-CE1 3.92Å; F47-F140 HydrophobicContact CG-CE1 3.92Å; F47-F140 AromaticContact CG-CZ 3.63Å; F47-F140 HydrophobicContact CG-CZ 3.63Å; F47-F140 HydrophobicContact CZ-CZ 4.19Å; V68-F140 HydrophobicContact CB-CE2 4.42Å; V68-F140 HydrophobicContact CG1-CD2 3.71Å; V68-F140 HydrophobicContact CG1-CE2 3.69Å; V68-F140 HydrophobicContact CG1-CZ 4.47Å; A69-F140 HydrophobicContact CB-CE2 4.49Å; N72-F140 HydrophobicContact CB-CD2 4.48Å; P76-F140 VanDerWaalsContact CD-CE2 3.49Å; P76-F140 HydrophobicContact CG-CE2 4.09Å; P76-F140 HydrophobicContact CG-CZ 4.02Å; L109-F140 HydrophobicContact CD1-CD1 4.3Å; L109-F140 HydrophobicContact CD1-CE1 4.07Å; L109-F140 HydrophobicContact CD2-CD1 4.02Å; L109-F140 HydrophobicContact CD2-CE1 4.43Å; L136-F140 WeakPolarHBondContact O-CD1 3.43Å; L136-F140 WeakPolarHBondContact O-CG 3.48Å; L136-F140 PolarHBondContact O-N 3.06Å; K137-F140 PolarHBondContact O-N 3.23Å; K137-F140 VanDerWaalsContact O-N 3.14Å; D138-F140 VanDerWaalsContact C-N 3.32Å; D138-F140 PolarHBondContact O-N 3.03Å; F140-E142 PolarHBondContact O-N 2.8Å; F140-N143 PolarHBondContact O-N 3.25Å; F140-C144 WeakPolarHBondContact O-CA 3.48Å; F140-C144 VanDerWaalsContact O-CB 3.22Å; F140-C144 WeakPolarHBondContact O-CB 3.34Å; F140-C144 PolarHBondContact O-N 3.29Å
141D97.4Very high97Very high40 Ų4058.6 Ų58.621%0.21429%0.291CS..Hα-helixtrans-63.2-31.2178.4-70.8-7.1000111.5N72 H74 K137 D138 K145N72-D141 PolarHBondContact ND2-OD1 3.41Å; H74-D141 IonicContact CD2-OD1 2.64Å; K137-D141 IonicContact NZ-OD1 2.92Å; K137-D141 PolarHBondContact NZ-OD1 3.15Å; K137-D141 IonicContact NZ-OD2 2.8Å; K137-D141 PolarHBondContact NZ-OD2 2.89Å; K137-D141 WeakPolarHBondContact O-CB 3.48Å; K137-D141 VanDerWaalsContact O-CG 3.31Å; K137-D141 PolarHBondContact O-N 3.2Å; D138-D141 PolarHBondContact O-N 3.36Å; D141-K145 WeakPolarHBondContact O-CE 3.44Å
142E97.4Very high97Very high141 Ų14157.4 Ų57.466%0.65928%0.283SS*.Hα-helixtrans-74.4-43.1175.7-175.4171.6-169.700112.7D138 F140D138-E142 WeakPolarHBondContact O-CB 3.38Å; D138-E142 PolarHBondContact O-N 3.37Å; F140-E142 PolarHBondContact O-N 2.8Å
143N97.3Very high96.9Very high34 Ų3461.8 Ų61.818%0.18231%0.305CS..Hα-helixtrans-108.5-19.8-163.9-66.3-78.1000115.5L109 V116 A139 F140L109-N143 HydrophobicContact CD2-CB 3.75Å; V116-N143 WeakPolarHBondContact CB-OD1 3.33Å; V116-N143 HydrophobicContact CG2-CB 3.99Å; A139-N143 WeakPolarHBondContact O-CB 3.4Å; A139-N143 PolarHBondContact O-N 3.4Å; A139-N143 VanDerWaalsContact O-N 3.15Å; A139-N143 PolarHBondContact O-ND2 3.01Å; F140-N143 PolarHBondContact O-N 3.25Å
144C96.1Very high96.8Very high12 Ų1265 Ų658%0.08131%0.314CS..  trans-105.939.7-173.2-54.60000113.1H74 R75 F140H74-C144 HydrophobicContact CB-CB 4.38Å; R75-C144 WeakPolarHBondContact O-CB 3.24Å; F140-C144 WeakPolarHBondContact O-CA 3.48Å; F140-C144 VanDerWaalsContact O-CB 3.22Å; F140-C144 WeakPolarHBondContact O-CB 3.34Å; F140-C144 PolarHBondContact O-N 3.29Å
145K87.2Confident96.7Very high205 Ų20560.4 Ų60.489%0.89129%0.291SS*.  trans-86.30179.6-61-178.5-171.3175.50112.9D141D141-K145 WeakPolarHBondContact O-CE 3.44Å

Retrieved 145 of 145 residues in 33.4 ms (Link to these results)

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