A0A077ZEZ8_TRITR Loading...

phosphoglucomutase (alpha-D-glucose-1,6-bisphosphate-dependent)

AlphaFold DB , UniProt , Accession A0A077ZEZ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 316 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
1M69.1Low91.8Very high131 Ų13173.6 Ų73.665%0.64534%0.341SS*.  0129.30-156.5-176.1-6400107.8V6 P36 I40 F97M1-V6 HydrophobicContact CG-CG2 4.43Å; M1-V6 HydrophobicContact SD-CG2 3.42Å; M1-V6 WeakPolarHBondContact SD-CG2 3.43Å; M1-P36 HydrophobicContact CE-CB 4.43Å; M1-P36 HydrophobicContact CE-CG 4.23Å; M1-I40 HydrophobicContact CE-CD1 3.91Å; M1-I40 HydrophobicContact CE-CG1 4.06Å; M1-F97 HydrophobicContact CE-CE1 3.66Å; M1-F97 HydrophobicContact CE-CZ 3.74Å; M1-F97 HydrophobicContact CG-CZ 4.38Å; M1-F97 HydrophobicContact SD-CE1 4.43Å; M1-F97 HydrophobicContact SD-CZ 4.02Å
2K82.3Confident92.3Very high173 Ų17367.7 Ų67.775%0.75231%0.314SS*.  trans-66.1144.7178.5-75.3-175.3177.3-177.50110.2Y5K2-Y5 WeakPolarHBondContact O-CB 3.32Å; K2-Y5 PolarHBondContact O-N 3.38Å
3Q90.4Very high92.7Very high173 Ų17363.1 Ų63.181%0.80829%0.293SS*.THydrogen-bonded Turntrans-56138.5177.4-174.8173.37.100110.9Y5Q3-Y5 PolarHBondContact O-N 2.97Å
4N93.6Very high93.1Very high62 Ų6258.6 Ų58.633%0.33227%0.272SS..THydrogen-bonded Turntrans59.37.2179.3-55.3-16.9000115.8V6 E7 N8 F127N4-V6 PolarHBondContact O-N 3.2Å; N4-E7 VanDerWaalsContact CA-OE2 3.23Å; N4-E7 WeakPolarHBondContact CA-OE2 3.36Å; N4-N8 WeakPolarHBondContact O-CB 3.32Å; N4-N8 PolarHBondContact O-N 3.26Å; N4-N8 PolarHBondContact O-ND2 3.45Å; N4-N8 PolarHBondContact O-OD1 2.78Å; N4-F127 HydrophobicContact CB-CE1 3.89Å; N4-F127 HydrophobicContact CB-CZ 4.46Å
5Y93.3Very high93.4Very high145 Ų14558.2 Ų58.257%0.56927%0.273SS*.Hα-helixtrans-65.9-43.2-174.8-171.7-90.7000112.2K2 Q3 L9K2-Y5 WeakPolarHBondContact O-CB 3.32Å; K2-Y5 PolarHBondContact O-N 3.38Å; Q3-Y5 PolarHBondContact O-N 2.97Å; Y5-L9 WeakPolarHBondContact O-CB 3.4Å; Y5-L9 PolarHBondContact O-N 3.06Å
6V93.5Very high93.7Very high1 Ų155.3 Ų55.31%0.00626%0.263CS..Hα-helixtrans-73.1-47.7-179.8171.30000109.6M1 N4 N8 L9 I10 I40 L43 F97 I99M1-V6 HydrophobicContact CG-CG2 4.43Å; M1-V6 HydrophobicContact SD-CG2 3.42Å; M1-V6 WeakPolarHBondContact SD-CG2 3.43Å; N4-V6 PolarHBondContact O-N 3.2Å; V6-N8 VanDerWaalsContact C-N 3.32Å; V6-N8 PolarHBondContact O-N 2.96Å; V6-L9 WeakPolarHBondContact O-CB 3.48Å; V6-L9 PolarHBondContact O-N 3.32Å; V6-I10 HydrophobicContact CG1-CG1 4.1Å; V6-I10 WeakPolarHBondContact O-CG1 3.41Å; V6-I10 PolarHBondContact O-N 3.41Å; V6-I40 HydrophobicContact CG1-CG2 4.1Å; V6-L43 HydrophobicContact CG1-CB 4.47Å; V6-L43 HydrophobicContact CG1-CD1 4.39Å; V6-F97 HydrophobicContact CG2-CE2 4.14Å; V6-F97 HydrophobicContact CG2-CZ 3.95Å; V6-I99 HydrophobicContact CG1-CD1 4.07Å
7E96.9Very high93.9Very high33 Ų3353.6 Ų53.615%0.15426%0.26CS..Hα-helixtrans-56.9-46.5-179.7-6288.5158.600111.3N4 L9 I10 Q11 L43 V47 F127N4-E7 VanDerWaalsContact CA-OE2 3.23Å; N4-E7 WeakPolarHBondContact CA-OE2 3.36Å; E7-L9 VanDerWaalsContact C-N 3.33Å; E7-L9 PolarHBondContact O-N 3.08Å; E7-I10 PolarHBondContact O-N 2.82Å; E7-Q11 WeakPolarHBondContact O-CB 3.31Å; E7-Q11 PolarHBondContact O-N 3.27Å; E7-L43 HydrophobicContact CG-CD2 4.32Å; E7-L43 WeakPolarHBondContact OE1-CD2 3.17Å; E7-V47 HydrophobicContact CB-CG2 4.43Å; E7-V47 HydrophobicContact CG-CG2 4.45Å; E7-F127 HydrophobicContact CB-CD1 4.11Å; E7-F127 HydrophobicContact CB-CD2 3.66Å; E7-F127 HydrophobicContact CB-CE1 3.99Å; E7-F127 HydrophobicContact CB-CE2 3.51Å; E7-F127 HydrophobicContact CB-CG 3.95Å; E7-F127 HydrophobicContact CB-CZ 3.69Å; E7-F127 HydrophobicContact CG-CD2 4.32Å; E7-F127 HydrophobicContact CG-CE2 3.77Å; E7-F127 HydrophobicContact CG-CZ 4Å
8N97.5Very high94.1Very high49 Ų4952 Ų5226%0.26225%0.253SS..Hα-helixtrans-59.9-43.5174.8-72.3-2.6000111.9N4 V6 C12 I124 F127N4-N8 WeakPolarHBondContact O-CB 3.32Å; N4-N8 PolarHBondContact O-N 3.26Å; N4-N8 PolarHBondContact O-ND2 3.45Å; N4-N8 PolarHBondContact O-OD1 2.78Å; V6-N8 VanDerWaalsContact C-N 3.32Å; V6-N8 PolarHBondContact O-N 2.96Å; N8-C12 WeakPolarHBondContact O-CB 3.47Å; N8-C12 PolarHBondContact O-N 3.01Å; N8-C12 PolarHBondContact O-SG 3.42Å; N8-I124 HydrophobicContact CB-CD1 4.02Å; N8-I124 HydrophobicContact CB-CG2 4.22Å; N8-I124 WeakPolarHBondContact O-CD1 3.32Å; N8-F127 WeakPolarHBondContact OD1-CD1 3.17Å
9L96.9Very high94.2Very high40 Ų4050.7 Ų50.721%0.20926%0.255CS..Hα-helixtrans-65.1-45.5179179.959.1000111.4Y5 V6 E7 C12 L13 I99 T121Y5-L9 WeakPolarHBondContact O-CB 3.4Å; Y5-L9 PolarHBondContact O-N 3.06Å; V6-L9 WeakPolarHBondContact O-CB 3.48Å; V6-L9 PolarHBondContact O-N 3.32Å; E7-L9 VanDerWaalsContact C-N 3.33Å; E7-L9 PolarHBondContact O-N 3.08Å; L9-C12 PolarHBondContact O-N 3.31Å; L9-L13 HydrophobicContact CD1-CG 4.3Å; L9-L13 HydrophobicContact CG-CD1 4.34Å; L9-L13 HydrophobicContact CG-CG 4.4Å; L9-L13 WeakPolarHBondContact O-CB 3.15Å; L9-L13 VanDerWaalsContact O-CG 3.3Å; L9-L13 WeakPolarHBondContact O-CG 3.25Å; L9-L13 PolarHBondContact O-N 3.44Å; L9-I99 HydrophobicContact CD2-CB 4.04Å; L9-I99 HydrophobicContact CD2-CD1 4.21Å; L9-I99 HydrophobicContact CD2-CG1 4.33Å; L9-T121 HydrophobicContact CD1-CG2 4.07Å
10I97.6Very high94.2Very high0 Ų053 Ų530%028%0.276CS..Hα-helixtrans-62.9-44.5178.7-58-47.2000110.8V6 E7 C12 L13 L14 I44 V47 I99V6-I10 HydrophobicContact CG1-CG1 4.1Å; V6-I10 WeakPolarHBondContact O-CG1 3.41Å; V6-I10 PolarHBondContact O-N 3.41Å; E7-I10 PolarHBondContact O-N 2.82Å; I10-C12 VanDerWaalsContact C-N 3.33Å; I10-C12 PolarHBondContact O-N 2.71Å; I10-L13 HydrophobicContact CD1-CD1 4.01Å; I10-L13 WeakPolarHBondContact O-CB 3.43Å; I10-L13 PolarHBondContact O-N 3.39Å; I10-L13 VanDerWaalsContact O-N 3.15Å; I10-L14 HydrophobicContact CG2-CD1 4.33Å; I10-L14 HydrophobicContact CG2-CG 4.39Å; I10-L14 WeakPolarHBondContact O-CG 3.07Å; I10-L14 PolarHBondContact O-N 3.17Å; I10-I44 HydrophobicContact CD1-CD1 4.15Å; I10-I44 HydrophobicContact CD1-CG1 3.61Å; I10-I44 HydrophobicContact CG1-CG1 3.73Å; I10-I44 HydrophobicContact CG2-CG2 4.36Å; I10-V47 HydrophobicContact CB-CB 4.34Å; I10-V47 HydrophobicContact CB-CG1 4.02Å; I10-V47 HydrophobicContact CG2-CB 3.86Å; I10-V47 HydrophobicContact CG2-CG1 3.6Å; I10-I99 HydrophobicContact CD1-CD1 3.78Å; I10-I99 HydrophobicContact CD1-CG2 3.9Å
11Q98.4Very high94.3Very high3 Ų357.3 Ų57.31%0.01429%0.294CS..Hα-helixtrans-54.4-50.3174.2-175.365.155.100111.1E7 L13 L14 D15 N51 I124 F127E7-Q11 WeakPolarHBondContact O-CB 3.31Å; E7-Q11 PolarHBondContact O-N 3.27Å; Q11-L13 VanDerWaalsContact C-N 3.33Å; Q11-L13 PolarHBondContact O-N 3.19Å; Q11-L14 PolarHBondContact O-N 3.26Å; Q11-D15 PolarHBondContact NE2-OD1 2.89Å; Q11-D15 PolarHBondContact NE2-OD2 2.96Å; Q11-D15 WeakPolarHBondContact O-CB 3.34Å; Q11-D15 VanDerWaalsContact O-CG 3.3Å; Q11-D15 PolarHBondContact O-N 3.02Å; Q11-N51 PolarHBondContact NE2-OD1 3.14Å; Q11-N51 PolarHBondContact OE1-ND2 3.31Å; Q11-N51 PolarHBondContact OE1-OD1 2.95Å; Q11-I124 HydrophobicContact CB-CD1 3.82Å; Q11-I124 HydrophobicContact CG-CD1 3.8Å; Q11-F127 HydrophobicContact CB-CB 3.72Å; Q11-F127 HydrophobicContact CG-CB 3.81Å
12C98.2Very high95.6Very high2 Ų251.9 Ų51.91%0.01427%0.267CS..Hα-helixtrans-65.8-32.7178.7-65.70000113.4N8 L9 I10 G16 I117 L120 T121 I124N8-C12 WeakPolarHBondContact O-CB 3.47Å; N8-C12 PolarHBondContact O-N 3.01Å; N8-C12 PolarHBondContact O-SG 3.42Å; L9-C12 PolarHBondContact O-N 3.31Å; I10-C12 VanDerWaalsContact C-N 3.33Å; I10-C12 PolarHBondContact O-N 2.71Å; C12-G16 WeakPolarHBondContact O-CA 3.43Å; C12-G16 PolarHBondContact O-N 2.94Å; C12-I117 HydrophobicContact CB-CG2 4.49Å; C12-L120 HydrophobicContact CB-CB 4Å; C12-T121 HydrophobicContact CB-CG2 3.56Å; C12-T121 VanDerWaalsContact SG-CA 3.55Å; C12-T121 PolarHBondContact SG-N 2.81Å; C12-I124 VanDerWaalsContact SG-CD1 3.52Å
13L97.7Very high96.4Very high8 Ų849.8 Ų49.84%0.04226%0.259CS..Hα-helixtrans-63.7-49.3174-75.9177.5000110.4L9 I10 Q11 A17 I99 F101 I117L9-L13 HydrophobicContact CD1-CG 4.3Å; L9-L13 HydrophobicContact CG-CD1 4.34Å; L9-L13 HydrophobicContact CG-CG 4.4Å; L9-L13 WeakPolarHBondContact O-CB 3.15Å; L9-L13 VanDerWaalsContact O-CG 3.3Å; L9-L13 WeakPolarHBondContact O-CG 3.25Å; L9-L13 PolarHBondContact O-N 3.44Å; I10-L13 HydrophobicContact CD1-CD1 4.01Å; I10-L13 WeakPolarHBondContact O-CB 3.43Å; I10-L13 PolarHBondContact O-N 3.39Å; I10-L13 VanDerWaalsContact O-N 3.15Å; Q11-L13 VanDerWaalsContact C-N 3.33Å; Q11-L13 PolarHBondContact O-N 3.19Å; L13-A17 WeakPolarHBondContact O-CB 3.44Å; L13-A17 PolarHBondContact O-N 2.65Å; L13-I99 HydrophobicContact CD1-CG2 3.65Å; L13-F101 HydrophobicContact CB-CD2 4.45Å; L13-F101 HydrophobicContact CD2-CB 3.92Å; L13-I117 HydrophobicContact CD2-CD1 3.88Å; L13-I117 HydrophobicContact CD2-CG1 4.48Å; L13-I117 HydrophobicContact CD2-CG2 3.94Å
14L98.3Very high96.7Very high0 Ų044.4 Ų44.40%025%0.249CC..Hα-helixtrans-63.4-48.5179.6-62.7-178000111.2I10 Q11 L18 G19 K22 L27 V47 N51 I53 I82I10-L14 HydrophobicContact CG2-CD1 4.33Å; I10-L14 HydrophobicContact CG2-CG 4.39Å; I10-L14 WeakPolarHBondContact O-CG 3.07Å; I10-L14 PolarHBondContact O-N 3.17Å; Q11-L14 PolarHBondContact O-N 3.26Å; L14-L18 HydrophobicContact CD2-CD1 4.44Å; L14-L18 WeakPolarHBondContact O-CB 3.36Å; L14-L18 PolarHBondContact O-N 2.77Å; L14-G19 PolarHBondContact O-N 3.3Å; L14-K22 HydrophobicContact CB-CD 4.33Å; L14-L27 HydrophobicContact CD2-CD1 3.73Å; L14-V47 HydrophobicContact CD1-CG1 4.3Å; L14-N51 HydrophobicContact CD1-CB 3.67Å; L14-I53 HydrophobicContact CD1-CG1 4.42Å; L14-I53 HydrophobicContact CD2-CD1 4.07Å; L14-I82 HydrophobicContact CD2-CD1 4.25Å
15D97.9Very high96.9Very high53 Ų5341.6 Ų41.628%0.28324%0.235SC..Hα-helixtrans-66.8-41-179.3-67.9-23.1000112.4Q11 G19 K22 L120Q11-D15 PolarHBondContact NE2-OD1 2.89Å; Q11-D15 PolarHBondContact NE2-OD2 2.96Å; Q11-D15 WeakPolarHBondContact O-CB 3.34Å; Q11-D15 VanDerWaalsContact O-CG 3.3Å; Q11-D15 PolarHBondContact O-N 3.02Å; D15-G19 WeakPolarHBondContact O-CA 3.2Å; D15-G19 PolarHBondContact O-N 2.83Å; D15-G19 VanDerWaalsContact O-N 3.08Å; D15-K22 IonicContact OD1-NZ 2.65Å; D15-K22 PolarHBondContact OD1-NZ 3.16Å; D15-L120 HydrophobicContact CB-CD1 3.82Å
16G97.3Very high97.2Very high11 Ų1137.6 Ų37.611%0.11322%0.22CC..Hα-helixtrans-79.5-32.9-176.600000114C12 L120C12-G16 WeakPolarHBondContact O-CA 3.43Å; C12-G16 PolarHBondContact O-N 2.94Å; G16-L120 VanDerWaalsContact CA-CD1 3.5Å
17A97.5Very high97.4Very high27 Ų2737.5 Ų37.522%0.22322%0.22CC..Hα-helixtrans-89.5-37.6-177.800000113.8L13 F101 V113 I117L13-A17 WeakPolarHBondContact O-CB 3.44Å; L13-A17 PolarHBondContact O-N 2.65Å; A17-F101 HydrophobicContact CB-CD1 3.69Å; A17-F101 HydrophobicContact CB-CD2 4.33Å; A17-F101 HydrophobicContact CB-CE1 3.45Å; A17-F101 VanDerWaalsContact CB-CE1 3.45Å; A17-F101 HydrophobicContact CB-CE2 4.13Å; A17-F101 HydrophobicContact CB-CG 4.14Å; A17-F101 HydrophobicContact CB-CZ 3.7Å; A17-V113 HydrophobicContact CB-CG1 4.02Å; A17-I117 HydrophobicContact CB-CD1 4.37Å
18L97.1Very high97.5Very high25 Ų2536 Ų3613%0.13121%0.212CC..THydrogen-bonded Turntrans-113.2-27-175.7-59.1172.2000112.5L14 S20 Q21 K22 L27 I53 D79 F101L14-L18 HydrophobicContact CD2-CD1 4.44Å; L14-L18 WeakPolarHBondContact O-CB 3.36Å; L14-L18 PolarHBondContact O-N 2.77Å; L18-S20 PolarHBondContact O-N 2.78Å; L18-Q21 VanDerWaalsContact O-CB 3.32Å; L18-Q21 WeakPolarHBondContact O-CB 3.46Å; L18-Q21 PolarHBondContact O-N 3.08Å; L18-K22 HydrophobicContact CB-CB 3.84Å; L18-K22 HydrophobicContact CD1-CB 3.93Å; L18-L27 HydrophobicContact CD1-CD1 4.17Å; L18-L27 HydrophobicContact CD1-CD2 4.13Å; L18-L27 HydrophobicContact CD1-CG 4.44Å; L18-I53 HydrophobicContact CD1-CD1 4.23Å; L18-D79 HydrophobicContact CD2-CB 4.11Å; L18-F101 HydrophobicContact CD1-CZ 4.47Å; L18-F101 HydrophobicContact CD2-CZ 4.28Å; L18-F101 HydrophobicContact CG-CZ 4.19Å
19G96.1Very high97.5Very high28 Ų2833.6 Ų33.629%0.28920%0.2SC..G310 helixtrans57.2-129-175.800000111.3L14 D15 Q21 K22L14-G19 PolarHBondContact O-N 3.3Å; D15-G19 WeakPolarHBondContact O-CA 3.2Å; D15-G19 PolarHBondContact O-N 2.83Å; D15-G19 VanDerWaalsContact O-N 3.08Å; G19-Q21 PolarHBondContact O-N 3.34Å; G19-K22 WeakPolarHBondContact O-CD 3.47Å; G19-K22 VanDerWaalsContact O-CG 3.25Å; G19-K22 WeakPolarHBondContact O-CG 3.47Å; G19-K22 PolarHBondContact O-N 3.19Å
20S94.9Very high97.3Very high95 Ų9531.7 Ų31.766%0.66419%0.19SC*.G310 helixtrans-69.3-20175.959.90000113.6L18 K22 F23L18-S20 PolarHBondContact O-N 2.78Å; S20-K22 PolarHBondContact O-N 3.37Å; S20-F23 WeakPolarHBondContact O-CD2 3.35Å
21Q96Very high96.7Very high144 Ų14431.7 Ų31.767%0.67319%0.19SC*.G310 helixtrans-72.9-4.7179.4-57.8-64-8.500112.8L18 G19 F23 S25L18-Q21 VanDerWaalsContact O-CB 3.32Å; L18-Q21 WeakPolarHBondContact O-CB 3.46Å; L18-Q21 PolarHBondContact O-N 3.08Å; G19-Q21 PolarHBondContact O-N 3.34Å; Q21-F23 VanDerWaalsContact C-N 3.26Å; Q21-F23 PolarHBondContact O-N 3.23Å; Q21-S25 WeakPolarHBondContact O-CB 3.42Å
22K96.9Very high95.7Very high18 Ų1832 Ų328%0.07819%0.191CC..G310 helixtrans-63.7-31.6175.671.6-172.5178.8176.30112.5L14 D15 L18 G19 S20 G24 S25 N51 I53L14-K22 HydrophobicContact CB-CD 4.33Å; D15-K22 IonicContact OD1-NZ 2.65Å; D15-K22 PolarHBondContact OD1-NZ 3.16Å; L18-K22 HydrophobicContact CB-CB 3.84Å; L18-K22 HydrophobicContact CD1-CB 3.93Å; G19-K22 WeakPolarHBondContact O-CD 3.47Å; G19-K22 VanDerWaalsContact O-CG 3.25Å; G19-K22 WeakPolarHBondContact O-CG 3.47Å; G19-K22 PolarHBondContact O-N 3.19Å; S20-K22 PolarHBondContact O-N 3.37Å; K22-G24 PolarHBondContact O-N 3.18Å; K22-S25 WeakPolarHBondContact CA-OG 3.45Å; K22-S25 WeakPolarHBondContact O-CB 3.44Å; K22-S25 PolarHBondContact O-N 3.38Å; K22-S25 PolarHBondContact O-OG 2.97Å; K22-N51 HydrophobicContact CD-CB 4.28Å; K22-N51 PolarHBondContact NZ-OD1 2.96Å; K22-I53 HydrophobicContact CB-CD1 4.01Å
23F97.6Very high94.2Very high129 Ų12932.4 Ų32.457%0.56620%0.196SC*.THydrogen-bonded Turntrans-65116.5179.3-69.2-79000110.6S20 Q21 S25 G52S20-F23 WeakPolarHBondContact O-CD2 3.35Å; Q21-F23 VanDerWaalsContact C-N 3.26Å; Q21-F23 PolarHBondContact O-N 3.23Å; F23-S25 PolarHBondContact O-N 2.86Å; F23-G52 CarbonylContact C-O 3.53Å; F23-G52 VanDerWaalsContact CA-O 3.31Å; F23-G52 WeakPolarHBondContact CA-O 3.5Å
24G97.2Very high92.8Very high59 Ų5933.9 Ų33.961%0.60820%0.202SC*.THydrogen-bonded Turntrans79.5-1.7-176.500000115K22 G52K22-G24 PolarHBondContact O-N 3.18Å; G24-G52 PolarHBondContact N-O 3.28Å
25S98.4Very high90.9Very high4 Ų440.5 Ų40.53%0.02823%0.228CC..  trans-63.8154.8-179.761.60000112.9Q21 K22 F23 I53 G54 H55 D79Q21-S25 WeakPolarHBondContact O-CB 3.42Å; K22-S25 WeakPolarHBondContact CA-OG 3.45Å; K22-S25 WeakPolarHBondContact O-CB 3.44Å; K22-S25 PolarHBondContact O-N 3.38Å; K22-S25 PolarHBondContact O-OG 2.97Å; F23-S25 PolarHBondContact O-N 2.86Å; S25-I53 WeakPolarHBondContact O-CG2 2.81Å; S25-I53 WeakPolarHBondContact OG-CD1 3.46Å; S25-G54 PolarHBondContact O-N 3.4Å; S25-H55 PolarHBondContact O-N 2.93Å; S25-H55 VanDerWaalsContact O-N 3.09Å; S25-D79 VanDerWaalsContact CA-OD2 3.32Å; S25-D79 WeakPolarHBondContact CA-OD2 3.23Å; S25-D79 VanDerWaalsContact CB-OD2 3.32Å; S25-D79 WeakPolarHBondContact CB-OD2 3.47Å
26K98.8Very high89.3Confident60 Ų6039 Ų3926%0.26122%0.221SC..EExtended strand (participates in β ladder)trans-102.7124.8172.3-174.6-171.9-53.7179.10109.9H55 M57 Y76 A78 D79K26-H55 CarbonylContact C-O 3.57Å; K26-H55 VanDerWaalsContact CA-O 3.23Å; K26-H55 WeakPolarHBondContact CA-O 3.29Å; K26-H55 HydrophobicContact CB-CB 4.25Å; K26-H55 HydrophobicContact CG-CB 4.02Å; K26-M57 HydrophobicContact CD-SD 4.03Å; K26-Y76 PolarHBondContact NZ-O 3.25Å; K26-A78 HydrophobicContact CB-CB 4.47Å; K26-A78 HydrophobicContact CD-CB 4.16Å; K26-A78 HydrophobicContact CG-CB 4.11Å; K26-A78 WeakPolarHBondContact O-CB 3.48Å; K26-D79 PolarHBondContact N-OD2 3Å; K26-D79 PolarHBondContact O-N 2.82Å
27L98.8Very high88.2Confident0 Ų038.6 Ų38.60%022%0.217CC..EExtended strand (participates in β ladder)trans-122.8145.7177.2-69.6-178.3000112.1L14 L18 I53 H55 L56 M57 G80 I82 F101L14-L27 HydrophobicContact CD2-CD1 3.73Å; L18-L27 HydrophobicContact CD1-CD1 4.17Å; L18-L27 HydrophobicContact CD1-CD2 4.13Å; L18-L27 HydrophobicContact CD1-CG 4.44Å; L27-I53 HydrophobicContact CD1-CD1 3.68Å; L27-I53 HydrophobicContact CD1-CG1 4.18Å; L27-I53 HydrophobicContact CD1-CG2 4.37Å; L27-I53 HydrophobicContact CG-CD1 4.36Å; L27-I53 HydrophobicContact CG-CG2 4.41Å; L27-H55 PolarHBondContact N-O 2.82Å; L27-L56 HydrophobicContact CB-CD1 3.84Å; L27-L56 WeakPolarHBondContact O-CA 3.45Å; L27-M57 PolarHBondContact O-N 3.01Å; L27-G80 WeakPolarHBondContact CA-O 3.36Å; L27-I82 HydrophobicContact CD1-CD1 4.5Å; L27-F101 HydrophobicContact CD2-CE2 4.22Å; L27-F101 HydrophobicContact CD2-CZ 4.07Å
28I98.7Very high87.5Confident0 Ų039.5 Ų39.50%023%0.229CC..EExtended strand (participates in β ladder)trans-93.4136.3165.9-51.6-54000109.1M57 M64 V69 A72 I73 A78 G80 G81 I82I28-M57 CarbonylContact C-O 3.5Å; I28-M57 WeakPolarHBondContact CA-O 3.48Å; I28-M57 HydrophobicContact CD1-CB 3.71Å; I28-M57 HydrophobicContact CD1-CG 4.24Å; I28-M57 HydrophobicContact CD1-SD 3.96Å; I28-M64 HydrophobicContact CG2-CE 3.75Å; I28-M64 HydrophobicContact CG2-SD 3.87Å; I28-V69 HydrophobicContact CB-CG1 4.17Å; I28-V69 HydrophobicContact CG2-CB 4.39Å; I28-V69 HydrophobicContact CG2-CG1 3.89Å; I28-V69 HydrophobicContact CG2-CG2 4.29Å; I28-A72 HydrophobicContact CD1-CB 4.06Å; I28-A72 HydrophobicContact CG1-CB 4.04Å; I28-A72 HydrophobicContact CG2-CB 4.04Å; I28-I73 HydrophobicContact CB-CG1 4.03Å; I28-I73 HydrophobicContact CG1-CB 4.38Å; I28-I73 HydrophobicContact CG1-CG1 3.57Å; I28-A78 HydrophobicContact CD1-CB 3.99Å; I28-A78 HydrophobicContact CG1-CB 3.86Å; I28-G80 PolarHBondContact N-O 2.83Å; I28-G81 CarbonylContact O-C 3.51Å; I28-G81 WeakPolarHBondContact O-CA 3.45Å; I28-I82 PolarHBondContact O-N 3.33Å
29L97.4Very high87Confident0 Ų046.1 Ų46.10%025%0.252CS..EExtended strand (participates in β ladder)trans-123.2124.3173.8173.961.8000110.3L41 I44 I45 L56 M57 I58 I82L29-L41 HydrophobicContact CD1-CD2 3.66Å; L29-L41 HydrophobicContact CD2-CD2 3.76Å; L29-L41 HydrophobicContact CG-CD2 3.55Å; L29-I44 HydrophobicContact CD1-CB 4.4Å; L29-I44 HydrophobicContact CD1-CD1 3.77Å; L29-I44 HydrophobicContact CD1-CG2 3.92Å; L29-I44 HydrophobicContact CD2-CB 4.09Å; L29-I44 HydrophobicContact CD2-CG2 3.84Å; L29-I45 HydrophobicContact CD2-CG1 4.02Å; L29-L56 HydrophobicContact CB-CD1 3.92Å; L29-L56 HydrophobicContact CB-CG 4.34Å; L29-L56 HydrophobicContact CD2-CD2 4.15Å; L29-M57 PolarHBondContact N-O 2.94Å; L29-I58 HydrophobicContact CB-CG1 4.16Å; L29-I58 HydrophobicContact CD2-CD1 4.03Å; L29-I58 WeakPolarHBondContact O-CG2 3.29Å; L29-I82 WeakPolarHBondContact CA-O 3.11Å; L29-I82 HydrophobicContact CD1-CB 3.94Å; L29-I82 HydrophobicContact CD1-CG2 4.01Å
30G93.6Very high86.8Confident0 Ų044.8 Ų44.80%024%0.238CC..EExtended strand (participates in β ladder)trans-134.5146-178.900000112.3I82 I83 L84G30-I82 PolarHBondContact N-O 2.97Å; G30-I83 WeakPolarHBondContact O-CA 3.34Å; G30-L84 PolarHBondContact O-N 2.84Å
31G84.8Confident86.7Confident0 Ų040.3 Ų40.30%021%0.207CC..EExtended strand (participates in β ladder)trans-144177.2173.300000112.8G62 I63 M64G31-G62 CarbonylContact C-O 3.52Å; G31-G62 WeakPolarHBondContact CA-O 3.28Å; G31-G62 PolarHBondContact N-O 3.37Å; G31-I63 WeakPolarHBondContact O-CA 3.43Å; G31-M64 PolarHBondContact O-N 3.08Å
32M75.6Confident86.5Confident9 Ų934.9 Ų34.94%0.04418%0.181CC..  trans-84.9-7.6-171.1-57.8-127.5-49.600114.4H34 L84 T86 A200 C261 D262M32-H34 VanDerWaalsContact C-N 3.29Å; M32-H34 PolarHBondContact O-CE1 3.37Å; M32-H34 PolarHBondContact O-N 3.19Å; M32-H34 PolarHBondContact O-ND1 3.05Å; M32-H34 PolarHBondContact O-NE2 3.31Å; M32-L84 WeakPolarHBondContact CG-O 3.13Å; M32-T86 HydrophobicContact CE-CG2 3.3Å; M32-T86 VanDerWaalsContact CE-OG1 3.29Å; M32-T86 WeakPolarHBondContact CE-OG1 3.48Å; M32-A200 HydrophobicContact CB-CB 4.3Å; M32-A200 WeakPolarHBondContact O-CB 3.48Å; M32-C261 HydrophobicContact CE-CB 3.32Å; M32-C261 HydrophobicContact SD-CB 3.83Å; M32-D262 HydrophobicContact SD-CB 3.74Å
33G67.2Low86.5Confident10 Ų1034.8 Ų34.810%0.10318%0.182CC..SBendtrans80.9-4-17800000115.5
34H68.8Low86.4Confident40 Ų4028.6 Ų28.619%0.18516%0.155CC..SBendtrans-95.8152.7179-34.2-35000111M32 S37 N198 L226M32-H34 VanDerWaalsContact C-N 3.29Å; M32-H34 PolarHBondContact O-CE1 3.37Å; M32-H34 PolarHBondContact O-N 3.19Å; M32-H34 PolarHBondContact O-ND1 3.05Å; M32-H34 PolarHBondContact O-NE2 3.31Å; H34-S37 WeakPolarHBondContact O-CA 3.47Å; H34-S37 WeakPolarHBondContact O-CB 3.23Å; H34-S37 PolarHBondContact O-N 3.46Å; H34-N198 PolarHBondContact CE1-O 2.97Å; H34-L226 VanDerWaalsContact CA-O 3.3Å; H34-L226 WeakPolarHBondContact CA-O 3.46Å; H34-L226 VanDerWaalsContact CB-O 3.29Å; H34-L226 WeakPolarHBondContact CB-O 3.29Å; H34-L226 PolarHBondContact ND1-O 3.12Å
35Y57.4Low86.4Confident138 Ų13825.8 Ų25.854%0.54113%0.126SC..THydrogen-bonded Turntrans-55.9136.2166.7-174.5-98.6000110.9I227Y35-I227 WeakPolarHBondContact CB-O 3.39Å; Y35-I227 PolarHBondContact N-O 2.84Å
36P64.6Low86.4Confident22 Ų2228.6 Ų28.614%0.14314%0.136CC..THydrogen-bonded Turncis-92.521.96.835.5-34.7000116.1M1 G38 R39 I40 F97M1-P36 HydrophobicContact CE-CB 4.43Å; M1-P36 HydrophobicContact CE-CG 4.23Å; P36-G38 PolarHBondContact O-N 3.44Å; P36-R39 PolarHBondContact O-N 2.98Å; P36-R39 VanDerWaalsContact O-N 3.14Å; P36-I40 HydrophobicContact CB-CD1 4.23Å; P36-I40 HydrophobicContact CG-CD1 3.71Å; P36-I40 PolarHBondContact O-N 3.32Å; P36-I40 VanDerWaalsContact O-N 3.13Å; P36-F97 HydrophobicContact CG-CD1 4.2Å; P36-F97 HydrophobicContact CG-CE1 4.41Å
37S75.5Confident86.4Confident2 Ų225.7 Ų25.71%0.01412%0.123CC..Hα-helixtrans-50.3-49.7-173-1720000113.7H34 R39 I40 L41 L84H34-S37 WeakPolarHBondContact O-CA 3.47Å; H34-S37 WeakPolarHBondContact O-CB 3.23Å; H34-S37 PolarHBondContact O-N 3.46Å; S37-R39 VanDerWaalsContact C-N 3.32Å; S37-R39 PolarHBondContact O-N 3.12Å; S37-I40 PolarHBondContact O-N 3.19Å; S37-I40 VanDerWaalsContact O-N 3.16Å; S37-L41 WeakPolarHBondContact O-CB 3.13Å; S37-L41 WeakPolarHBondContact O-CG 3.21Å; S37-L41 PolarHBondContact O-N 2.81Å; S37-L41 WeakPolarHBondContact OG-CD1 3.07Å; S37-L84 VanDerWaalsContact CA-CD2 3.43Å; S37-L84 WeakPolarHBondContact OG-CD2 3.29Å
38G83Confident86.4Confident46 Ų4625.8 Ų25.847%0.47412%0.124SC..Hα-helixtrans-56.7-42.8-178.700000113.4P36 Q42P36-G38 PolarHBondContact O-N 3.44Å; G38-Q42 WeakPolarHBondContact O-CG 3.4Å; G38-Q42 PolarHBondContact O-N 2.86Å
39R86.7Confident86.4Confident164 Ų16425.8 Ų25.862%0.61912%0.124SC*.Hα-helixtrans-68.4-42.9177.9-178.3178.9175.51780.7111.7P36 S37 Q42 L43P36-R39 PolarHBondContact O-N 2.98Å; P36-R39 VanDerWaalsContact O-N 3.14Å; S37-R39 VanDerWaalsContact C-N 3.32Å; S37-R39 PolarHBondContact O-N 3.12Å; R39-Q42 PolarHBondContact O-N 2.84Å; R39-L43 PolarHBondContact O-N 2.82Å; R39-L43 VanDerWaalsContact O-N 3.08Å
40I90.6Very high86.4Confident0 Ų026.5 Ų26.50%013%0.129CC..Hα-helixtrans-67.2-41.2-179.9-65.5171000110.8M1 V6 P36 S37 Q42 L43 I44 L84 F97 I99M1-I40 HydrophobicContact CE-CD1 3.91Å; M1-I40 HydrophobicContact CE-CG1 4.06Å; V6-I40 HydrophobicContact CG1-CG2 4.1Å; P36-I40 HydrophobicContact CB-CD1 4.23Å; P36-I40 HydrophobicContact CG-CD1 3.71Å; P36-I40 PolarHBondContact O-N 3.32Å; P36-I40 VanDerWaalsContact O-N 3.13Å; S37-I40 PolarHBondContact O-N 3.19Å; S37-I40 VanDerWaalsContact O-N 3.16Å; I40-Q42 VanDerWaalsContact C-N 3.34Å; I40-Q42 PolarHBondContact O-N 2.92Å; I40-L43 WeakPolarHBondContact O-CB 3.47Å; I40-L43 PolarHBondContact O-N 3.12Å; I40-L43 VanDerWaalsContact O-N 3.14Å; I40-I44 HydrophobicContact CG2-CD1 3.82Å; I40-I44 HydrophobicContact CG2-CG1 4.32Å; I40-I44 VanDerWaalsContact O-CG1 3.32Å; I40-I44 WeakPolarHBondContact O-CG1 3.17Å; I40-I44 PolarHBondContact O-N 3.38Å; I40-L84 HydrophobicContact CB-CD1 4.46Å; I40-L84 HydrophobicContact CB-CD2 4.37Å; I40-L84 HydrophobicContact CD1-CD1 3.99Å; I40-L84 HydrophobicContact CD1-CD2 4.34Å; I40-L84 HydrophobicContact CG2-CD1 3.82Å; I40-L84 HydrophobicContact CG2-CD2 4.46Å; I40-F97 HydrophobicContact CD1-CD1 4.01Å; I40-F97 HydrophobicContact CD1-CD2 3.74Å; I40-F97 HydrophobicContact CD1-CE1 3.81Å; I40-F97 HydrophobicContact CD1-CE2 3.51Å; I40-F97 HydrophobicContact CD1-CG 3.98Å; I40-F97 HydrophobicContact CD1-CZ 3.55Å; I40-I99 HydrophobicContact CG2-CD1 4.13Å
41L92.4Very high86.6Confident1 Ų126.6 Ų26.61%0.00513%0.13CC..Hα-helixtrans-58.4-46175.6-71.2169.7000111.2L29 S37 L43 I44 I45 L137L29-L41 HydrophobicContact CD1-CD2 3.66Å; L29-L41 HydrophobicContact CD2-CD2 3.76Å; L29-L41 HydrophobicContact CG-CD2 3.55Å; S37-L41 WeakPolarHBondContact O-CB 3.13Å; S37-L41 WeakPolarHBondContact O-CG 3.21Å; S37-L41 PolarHBondContact O-N 2.81Å; S37-L41 WeakPolarHBondContact OG-CD1 3.07Å; L41-L43 VanDerWaalsContact C-N 3.33Å; L41-L43 PolarHBondContact O-N 3.35Å; L41-I44 PolarHBondContact O-N 2.82Å; L41-I45 VanDerWaalsContact O-CG1 3.25Å; L41-I45 WeakPolarHBondContact O-CG1 3.24Å; L41-I45 PolarHBondContact O-N 3.09Å; L41-L137 HydrophobicContact CB-CD1 4.27Å; L41-L137 HydrophobicContact CD1-CD1 4.23Å
42Q93.8Very high87.3Confident30 Ų3027 Ų2714%0.1414%0.135CC..Hα-helixtrans-60.7-42.1174.9-66.6-67.5-36.100111.8G38 R39 I40 I44 I45 R46 I135G38-Q42 WeakPolarHBondContact O-CG 3.4Å; G38-Q42 PolarHBondContact O-N 2.86Å; R39-Q42 PolarHBondContact O-N 2.84Å; I40-Q42 VanDerWaalsContact C-N 3.34Å; I40-Q42 PolarHBondContact O-N 2.92Å; Q42-I44 VanDerWaalsContact C-N 3.34Å; Q42-I44 PolarHBondContact O-N 2.94Å; Q42-I45 PolarHBondContact O-N 2.98Å; Q42-R46 WeakPolarHBondContact O-CG 3.33Å; Q42-R46 PolarHBondContact O-N 2.9Å; Q42-I135 PolarHBondContact NE2-O 3.32Å; Q42-I135 VanDerWaalsContact OE1-N 3.11Å
43L95.1Very high88.4Confident16 Ų1626.7 Ų26.78%0.08413%0.133CC..Hα-helixtrans-60.3-42.8174.5-73.6171.1000112.2V6 E7 R39 I40 L41 I45 R46 V47V6-L43 HydrophobicContact CG1-CB 4.47Å; V6-L43 HydrophobicContact CG1-CD1 4.39Å; E7-L43 HydrophobicContact CG-CD2 4.32Å; E7-L43 WeakPolarHBondContact OE1-CD2 3.17Å; R39-L43 PolarHBondContact O-N 2.82Å; R39-L43 VanDerWaalsContact O-N 3.08Å; I40-L43 WeakPolarHBondContact O-CB 3.47Å; I40-L43 PolarHBondContact O-N 3.12Å; I40-L43 VanDerWaalsContact O-N 3.14Å; L41-L43 VanDerWaalsContact C-N 3.33Å; L41-L43 PolarHBondContact O-N 3.35Å; L43-I45 PolarHBondContact O-N 2.84Å; L43-R46 PolarHBondContact O-N 3.25Å; L43-V47 WeakPolarHBondContact O-CG2 3.38Å; L43-V47 PolarHBondContact O-N 2.9Å
44I96.4Very high89.8Confident0 Ų027 Ų270%014%0.137CC..Hα-helixtrans-61-46.4176.6-64.9162.6000110.4I10 L29 I40 L41 Q42 R46 V47 A48 I82I10-I44 HydrophobicContact CD1-CD1 4.15Å; I10-I44 HydrophobicContact CD1-CG1 3.61Å; I10-I44 HydrophobicContact CG1-CG1 3.73Å; I10-I44 HydrophobicContact CG2-CG2 4.36Å; L29-I44 HydrophobicContact CD1-CB 4.4Å; L29-I44 HydrophobicContact CD1-CD1 3.77Å; L29-I44 HydrophobicContact CD1-CG2 3.92Å; L29-I44 HydrophobicContact CD2-CB 4.09Å; L29-I44 HydrophobicContact CD2-CG2 3.84Å; I40-I44 HydrophobicContact CG2-CD1 3.82Å; I40-I44 HydrophobicContact CG2-CG1 4.32Å; I40-I44 VanDerWaalsContact O-CG1 3.32Å; I40-I44 WeakPolarHBondContact O-CG1 3.17Å; I40-I44 PolarHBondContact O-N 3.38Å; L41-I44 PolarHBondContact O-N 2.82Å; Q42-I44 VanDerWaalsContact C-N 3.34Å; Q42-I44 PolarHBondContact O-N 2.94Å; I44-R46 VanDerWaalsContact C-N 3.3Å; I44-R46 PolarHBondContact O-N 3.36Å; I44-V47 PolarHBondContact O-N 2.85Å; I44-A48 VanDerWaalsContact O-CB 3.22Å; I44-A48 WeakPolarHBondContact O-CB 3.48Å; I44-A48 PolarHBondContact O-N 2.94Å; I44-I82 HydrophobicContact CD1-CG2 3.98Å; I44-I82 HydrophobicContact CG2-CD1 3.81Å
45I97.5Very high91.3Very high0 Ų026.4 Ų26.40%013%0.134CC..Hα-helixtrans-57.8-44.1177.5-65.2163.7000110.7L29 L41 Q42 L43 A48 A49 L56 I58 L133 I135 L137 M153L29-I45 HydrophobicContact CD2-CG1 4.02Å; L41-I45 VanDerWaalsContact O-CG1 3.25Å; L41-I45 WeakPolarHBondContact O-CG1 3.24Å; L41-I45 PolarHBondContact O-N 3.09Å; Q42-I45 PolarHBondContact O-N 2.98Å; L43-I45 PolarHBondContact O-N 2.84Å; I45-A48 PolarHBondContact O-N 3.07Å; I45-A49 WeakPolarHBondContact O-CB 3.32Å; I45-A49 PolarHBondContact O-N 3.44Å; I45-L56 HydrophobicContact CB-CD2 4.26Å; I45-L56 HydrophobicContact CG1-CD2 3.66Å; I45-L56 HydrophobicContact CG2-CD2 4.45Å; I45-I58 HydrophobicContact CD1-CD1 3.71Å; I45-I58 HydrophobicContact CG1-CD1 3.95Å; I45-L133 HydrophobicContact CG2-CD2 3.85Å; I45-L133 HydrophobicContact CG2-CG 4.43Å; I45-I135 HydrophobicContact CD1-CB 4.27Å; I45-I135 HydrophobicContact CG2-CG1 3.82Å; I45-L137 HydrophobicContact CD1-CD1 4.47Å; I45-L137 HydrophobicContact CD1-CD2 4.13Å; I45-M153 HydrophobicContact CG2-CE 4.13Å
46R98.1Very high93.2Very high62 Ų6219.9 Ų19.923%0.23411%0.109CC..Hα-helixtrans-65-41.1179.7-66.5168.2-178.7-171-7.2113.2Q42 L43 I44 A50 V129 C130 P131 L133Q42-R46 WeakPolarHBondContact O-CG 3.33Å; Q42-R46 PolarHBondContact O-N 2.9Å; L43-R46 PolarHBondContact O-N 3.25Å; I44-R46 VanDerWaalsContact C-N 3.3Å; I44-R46 PolarHBondContact O-N 3.36Å; R46-A50 PolarHBondContact O-N 2.83Å; R46-V129 HydrophobicContact CB-CG2 3.69Å; R46-C130 WeakPolarHBondContact CB-O 3.44Å; R46-C130 WeakPolarHBondContact CG-O 3.49Å; R46-C130 PolarHBondContact O-N 3.32Å; R46-C130 VanDerWaalsContact O-N 3.11Å; R46-P131 PolarHBondContact NE-O 3.42Å; R46-P131 PolarHBondContact NH1-O 3.03Å; R46-P131 PolarHBondContact NH2-O 2.95Å; R46-L133 HydrophobicContact CG-CB 4.09Å; R46-L133 PolarHBondContact NE-O 3.24Å; R46-L133 PolarHBondContact NH2-O 3.09Å
47V98.3Very high94.9Very high0 Ų019 Ų190%010%0.102CC..Hα-helixtrans-72.9-40177.9175.60000110.4E7 I10 L14 L43 I44 A50 N51 V129E7-V47 HydrophobicContact CB-CG2 4.43Å; E7-V47 HydrophobicContact CG-CG2 4.45Å; I10-V47 HydrophobicContact CB-CB 4.34Å; I10-V47 HydrophobicContact CB-CG1 4.02Å; I10-V47 HydrophobicContact CG2-CB 3.86Å; I10-V47 HydrophobicContact CG2-CG1 3.6Å; L14-V47 HydrophobicContact CD1-CG1 4.3Å; L43-V47 WeakPolarHBondContact O-CG2 3.38Å; L43-V47 PolarHBondContact O-N 2.9Å; I44-V47 PolarHBondContact O-N 2.85Å; V47-A50 PolarHBondContact O-N 3.44Å; V47-N51 WeakPolarHBondContact CG1-ND2 3.45Å; V47-N51 WeakPolarHBondContact O-CB 3.3Å; V47-N51 PolarHBondContact O-N 3.21Å; V47-N51 PolarHBondContact O-ND2 3.38Å; V47-V129 HydrophobicContact CG2-CB 4.39Å; V47-V129 HydrophobicContact CG2-CG2 4.24Å
48A98.4Very high95.9Very high1 Ų118.9 Ų18.91%0.00810%0.102CC..Hα-helixtrans-59.2-48175.500000111.8I44 I45 A50 N51 G52 I53 L56 M153I44-A48 VanDerWaalsContact O-CB 3.22Å; I44-A48 WeakPolarHBondContact O-CB 3.48Å; I44-A48 PolarHBondContact O-N 2.94Å; I45-A48 PolarHBondContact O-N 3.07Å; A48-A50 PolarHBondContact O-N 3.18Å; A48-N51 CarbonylContact O-C 3.51Å; A48-N51 PolarHBondContact O-N 3.12Å; A48-N51 VanDerWaalsContact O-N 3.12Å; A48-G52 PolarHBondContact O-N 2.94Å; A48-I53 HydrophobicContact CB-CB 4.1Å; A48-I53 HydrophobicContact CB-CG1 3.75Å; A48-I53 WeakPolarHBondContact O-CG1 3.45Å; A48-I53 PolarHBondContact O-N 2.9Å; A48-L56 HydrophobicContact CB-CD2 4.46Å; A48-M153 HydrophobicContact CB-SD 4.34Å
49A98.4Very high96.5Very high1 Ų116.7 Ų16.71%0.0088%0.079CC..Hα-helixtrans-55.2-51176.400000111.6I45 N51 G52 L133 V147 M153I45-A49 WeakPolarHBondContact O-CB 3.32Å; I45-A49 PolarHBondContact O-N 3.44Å; A49-N51 PolarHBondContact O-N 3.06Å; A49-G52 PolarHBondContact O-N 2.97Å; A49-L133 HydrophobicContact CB-CD2 3.66Å; A49-V147 HydrophobicContact CB-CG2 4.02Å; A49-M153 HydrophobicContact CB-CE 3.41Å; A49-M153 VanDerWaalsContact CB-CE 3.41Å; A49-M153 HydrophobicContact CB-SD 4.09Å
50A98.2Very high96.9Very high14 Ų1413.5 Ų13.512%0.1167%0.07CC..Hα-helixtrans-68.7-16.8-178.500000113.8R46 V47 A48 F128 V129R46-A50 PolarHBondContact O-N 2.83Å; V47-A50 PolarHBondContact O-N 3.44Å; A48-A50 PolarHBondContact O-N 3.18Å; A50-F128 VanDerWaalsContact CB-C 3.46Å; A50-F128 HydrophobicContact CB-CB 3.74Å; A50-V129 VanDerWaalsContact CB-N 3.34Å
51N98.4Very high96.9Very high2 Ų217.2 Ų17.21%0.0119%0.09CC..THydrogen-bonded Turntrans-996.6177.7-83.7-86.4000113.5Q11 L14 K22 V47 A48 A49Q11-N51 PolarHBondContact NE2-OD1 3.14Å; Q11-N51 PolarHBondContact OE1-ND2 3.31Å; Q11-N51 PolarHBondContact OE1-OD1 2.95Å; L14-N51 HydrophobicContact CD1-CB 3.67Å; K22-N51 HydrophobicContact CD-CB 4.28Å; K22-N51 PolarHBondContact NZ-OD1 2.96Å; V47-N51 WeakPolarHBondContact CG1-ND2 3.45Å; V47-N51 WeakPolarHBondContact O-CB 3.3Å; V47-N51 PolarHBondContact O-N 3.21Å; V47-N51 PolarHBondContact O-ND2 3.38Å; A48-N51 CarbonylContact O-C 3.51Å; A48-N51 PolarHBondContact O-N 3.12Å; A48-N51 VanDerWaalsContact O-N 3.12Å; A49-N51 PolarHBondContact O-N 3.06Å
52G98.2Very high96.9Very high10 Ų1017.2 Ų17.210%0.1039%0.089CC..THydrogen-bonded Turntrans77.820.5173.600000115.1F23 G24 A48 A49 G54 V150F23-G52 CarbonylContact C-O 3.53Å; F23-G52 VanDerWaalsContact CA-O 3.31Å; F23-G52 WeakPolarHBondContact CA-O 3.5Å; G24-G52 PolarHBondContact N-O 3.28Å; A48-G52 PolarHBondContact O-N 2.94Å; A49-G52 PolarHBondContact O-N 2.97Å; G52-G54 PolarHBondContact O-N 2.83Å; G52-V150 VanDerWaalsContact CA-CG1 3.43Å
53I98.7Very high96.8Very high1 Ų116.7 Ų16.71%0.0059%0.088CC..  trans-58.2126.8168.6-58.6-58.9000108.3L14 L18 K22 S25 L27 A48 M153L14-I53 HydrophobicContact CD1-CG1 4.42Å; L14-I53 HydrophobicContact CD2-CD1 4.07Å; L18-I53 HydrophobicContact CD1-CD1 4.23Å; K22-I53 HydrophobicContact CB-CD1 4.01Å; S25-I53 WeakPolarHBondContact O-CG2 2.81Å; S25-I53 WeakPolarHBondContact OG-CD1 3.46Å; L27-I53 HydrophobicContact CD1-CD1 3.68Å; L27-I53 HydrophobicContact CD1-CG1 4.18Å; L27-I53 HydrophobicContact CD1-CG2 4.37Å; L27-I53 HydrophobicContact CG-CD1 4.36Å; L27-I53 HydrophobicContact CG-CG2 4.41Å; A48-I53 HydrophobicContact CB-CB 4.1Å; A48-I53 HydrophobicContact CB-CG1 3.75Å; A48-I53 WeakPolarHBondContact O-CG1 3.45Å; A48-I53 PolarHBondContact O-N 2.9Å; I53-M153 HydrophobicContact CB-SD 4.34Å; I53-M153 WeakPolarHBondContact O-CB 3.45Å; I53-M153 WeakPolarHBondContact O-CG 3.4Å
54G98.4Very high96.8Very high18 Ų1816.1 Ų16.119%0.1869%0.085CC..SBendtrans-84.8-32.9-174.100000113.1S25 G52 M153 R154S25-G54 PolarHBondContact O-N 3.4Å; G52-G54 PolarHBondContact O-N 2.83Å; G54-M153 WeakPolarHBondContact O-CA 3.21Å; G54-R154 PolarHBondContact O-N 3.15Å
55H98.7Very high96.7Very high27 Ų2716.3 Ų16.313%0.1259%0.086CC..EExtended strand (participates in β ladder)trans-144.5123.6-179.7-170.3-178.5000111.3S25 K26 L27 M57 R154 E156S25-H55 PolarHBondContact O-N 2.93Å; S25-H55 VanDerWaalsContact O-N 3.09Å; K26-H55 CarbonylContact C-O 3.57Å; K26-H55 VanDerWaalsContact CA-O 3.23Å; K26-H55 WeakPolarHBondContact CA-O 3.29Å; K26-H55 HydrophobicContact CB-CB 4.25Å; K26-H55 HydrophobicContact CG-CB 4.02Å; L27-H55 PolarHBondContact N-O 2.82Å; H55-M57 WeakPolarHBondContact NE2-CG 3.36Å; H55-R154 CarbonylContact C-O 3.51Å; H55-R154 VanDerWaalsContact CA-O 3.29Å; H55-R154 WeakPolarHBondContact CA-O 3.17Å; H55-R154 PolarHBondContact CD2-O 3.4Å; H55-E156 IonicContact CE1-OE2 2.86Å; H55-E156 PolarHBondContact CE1-OE2 2.8Å; H55-E156 WeakPolarHBondContact NE2-CB 3.38Å; H55-E156 IonicContact NE2-OE2 3.8Å; H55-E156 PolarHBondContact NE2-OE2 3.3Å
56L98.6Very high96.5Very high1 Ų117.3 Ų17.31%0.0059%0.092CC..EExtended strand (participates in β ladder)trans-116.9113.1175.4-169.165.8000110.1L27 L29 I45 A48 I58 M153 R154 V155 E156L27-L56 HydrophobicContact CB-CD1 3.84Å; L27-L56 WeakPolarHBondContact O-CA 3.45Å; L29-L56 HydrophobicContact CB-CD1 3.92Å; L29-L56 HydrophobicContact CB-CG 4.34Å; L29-L56 HydrophobicContact CD2-CD2 4.15Å; I45-L56 HydrophobicContact CB-CD2 4.26Å; I45-L56 HydrophobicContact CG1-CD2 3.66Å; I45-L56 HydrophobicContact CG2-CD2 4.45Å; A48-L56 HydrophobicContact CB-CD2 4.46Å; L56-I58 HydrophobicContact CD2-CD1 4.02Å; L56-I58 HydrophobicContact CG-CD1 4.17Å; L56-I58 HydrophobicContact CG-CG1 4.14Å; L56-M153 HydrophobicContact CB-SD 4.36Å; L56-R154 PolarHBondContact N-O 3.26Å; L56-V155 HydrophobicContact CB-CG2 4.43Å; L56-V155 CarbonylContact O-C 3.57Å; L56-V155 VanDerWaalsContact O-CA 3.28Å; L56-V155 WeakPolarHBondContact O-CA 3.48Å; L56-E156 PolarHBondContact O-N 2.87Å
57M98.6Very high96.3Very high3 Ų316.1 Ų16.12%0.0159%0.092CC..EExtended strand (participates in β ladder)trans-99.7133.1176.9-57.6178.370.700110.4K26 L27 I28 L29 H55 Y76 E156 F158K26-M57 HydrophobicContact CD-SD 4.03Å; L27-M57 PolarHBondContact O-N 3.01Å; I28-M57 CarbonylContact C-O 3.5Å; I28-M57 WeakPolarHBondContact CA-O 3.48Å; I28-M57 HydrophobicContact CD1-CB 3.71Å; I28-M57 HydrophobicContact CD1-CG 4.24Å; I28-M57 HydrophobicContact CD1-SD 3.96Å; L29-M57 PolarHBondContact N-O 2.94Å; H55-M57 WeakPolarHBondContact NE2-CG 3.36Å; M57-Y76 HydrophobicContact CE-CD1 3.78Å; M57-Y76 HydrophobicContact CE-CD2 3.68Å; M57-Y76 HydrophobicContact CE-CE1 4Å; M57-Y76 HydrophobicContact CE-CE2 3.91Å; M57-Y76 HydrophobicContact CE-CG 3.62Å; M57-Y76 HydrophobicContact SD-CD1 4.34Å; M57-Y76 HydrophobicContact SD-CD2 4.21Å; M57-Y76 HydrophobicContact SD-CG 3.86Å; M57-E156 CarbonylContact C-O 3.43Å; M57-E156 WeakPolarHBondContact CA-O 3.34Å; M57-E156 HydrophobicContact CG-CB 4.3Å; M57-F158 HydrophobicContact CB-CD1 4.14Å; M57-F158 HydrophobicContact CB-CE1 3.97Å; M57-F158 HydrophobicContact CE-CD1 4.33Å; M57-F158 HydrophobicContact CE-CG 4.49Å
58I97.5Very high96.3Very high0 Ų016.3 Ų16.30%09%0.093CC..EExtended strand (participates in β ladder)trans-136.2132.3-171.6-42.6-175.1000109.3L29 I45 L56 L137 V155 E156 V157 F158L29-I58 HydrophobicContact CB-CG1 4.16Å; L29-I58 HydrophobicContact CD2-CD1 4.03Å; L29-I58 WeakPolarHBondContact O-CG2 3.29Å; I45-I58 HydrophobicContact CD1-CD1 3.71Å; I45-I58 HydrophobicContact CG1-CD1 3.95Å; L56-I58 HydrophobicContact CD2-CD1 4.02Å; L56-I58 HydrophobicContact CG-CD1 4.17Å; L56-I58 HydrophobicContact CG-CG1 4.14Å; I58-L137 HydrophobicContact CD1-CD2 3.82Å; I58-L137 HydrophobicContact CG2-CD2 4.32Å; I58-V155 HydrophobicContact CD1-CG1 3.74Å; I58-V155 HydrophobicContact CG1-CG1 4.27Å; I58-E156 PolarHBondContact N-O 3.06Å; I58-V157 CarbonylContact O-C 3.6Å; I58-V157 VanDerWaalsContact O-CA 3.28Å; I58-V157 WeakPolarHBondContact O-CA 3.46Å; I58-F158 WeakPolarHBondContact O-CD1 3.38Å; I58-F158 PolarHBondContact O-N 3.02Å
59G95.6Very high96.3Very high0 Ų016.2 Ų16.20%09%0.093CC..EExtended strand (participates in β ladder)trans-62.6149170.100000111.3D61 G62 M64 S160G59-D61 PolarHBondContact O-N 2.85Å; G59-G62 VanDerWaalsContact O-CA 3.24Å; G59-G62 WeakPolarHBondContact O-CA 3.45Å; G59-G62 PolarHBondContact O-N 3.12Å; G59-M64 PolarHBondContact N-SD 3.34Å; G59-S160 WeakPolarHBondContact CA-OG 3.25Å
60K94Very high96.3Very high97 Ų9717.8 Ų17.842%0.42210%0.104SC..EExtended strand (participates in β ladder)trans-47.8138.2175.4-168.1-171170.7-168.50111.7G62 I63 S138 L140 V157 F158K60-G62 PolarHBondContact O-N 3.43Å; K60-I63 PolarHBondContact O-N 2.95Å; K60-S138 WeakPolarHBondContact CE-O 3.4Å; K60-L140 HydrophobicContact CB-CD2 3.96Å; K60-L140 HydrophobicContact CD-CD2 4.33Å; K60-L140 HydrophobicContact CG-CD2 4.23Å; K60-V157 HydrophobicContact CB-CG1 4.45Å; K60-F158 PolarHBondContact N-O 3.13Å
61D91.6Very high96.2Very high78 Ų7818.6 Ų18.642%0.41711%0.106SC..EExtended strand (participates in β ladder)trans59.612-174.7-59.4-58.6000114G59 I63 L137 S138G59-D61 PolarHBondContact O-N 2.85Å; D61-I63 VanDerWaalsContact C-N 3.26Å; D61-I63 HydrophobicContact CB-CD1 3.88Å; D61-I63 HydrophobicContact CB-CG1 3.91Å; D61-L137 WeakPolarHBondContact CA-O 3.34Å; D61-L137 PolarHBondContact N-O 3.22Å; D61-S138 VanDerWaalsContact OD1-CA 3.32Å; D61-S138 WeakPolarHBondContact OD1-CA 3.43Å
62G92.6Very high96.3Very high0 Ų018.7 Ų18.70%011%0.107CC..EExtended strand (participates in β ladder)trans74.412.8-172.300000114.1G31 G59 K60 M64G31-G62 CarbonylContact C-O 3.52Å; G31-G62 WeakPolarHBondContact CA-O 3.28Å; G31-G62 PolarHBondContact N-O 3.37Å; G59-G62 VanDerWaalsContact O-CA 3.24Å; G59-G62 WeakPolarHBondContact O-CA 3.45Å; G59-G62 PolarHBondContact O-N 3.12Å; K60-G62 PolarHBondContact O-N 3.43Å; G62-M64 PolarHBondContact O-N 3.21Å
63I92.1Very high96.3Very high20 Ų2018.2 Ų18.210%0.10310%0.102CC..EExtended strand (participates in β ladder)trans-91.9106.9-169.3-55.9-178.4000110.4G31 K60 D61 S160 A200 Y204 P225G31-I63 WeakPolarHBondContact O-CA 3.43Å; K60-I63 PolarHBondContact O-N 2.95Å; D61-I63 VanDerWaalsContact C-N 3.26Å; D61-I63 HydrophobicContact CB-CD1 3.88Å; D61-I63 HydrophobicContact CB-CG1 3.91Å; I63-S160 PolarHBondContact O-OG 3.4Å; I63-A200 HydrophobicContact CG2-CB 3.79Å; I63-Y204 HydrophobicContact CG2-CE2 4.41Å; I63-Y204 PolarHBondContact O-OH 3.45Å; I63-P225 HydrophobicContact CD1-CB 4.35Å; I63-P225 HydrophobicContact CD1-CG 4.06Å; I63-P225 HydrophobicContact CG2-CG 4.49Å
64M95.1Very high96.3Very high4 Ų425.8 Ų25.82%0.0213%0.131CC..  trans-142.4131.6171.7-54.1179.671.100112.4I28 G31 G59 G62 A68 V69 A72 F158 Y204I28-M64 HydrophobicContact CG2-CE 3.75Å; I28-M64 HydrophobicContact CG2-SD 3.87Å; G31-M64 PolarHBondContact O-N 3.08Å; G59-M64 PolarHBondContact N-SD 3.34Å; G62-M64 PolarHBondContact O-N 3.21Å; M64-A68 HydrophobicContact CE-CB 4.44Å; M64-V69 HydrophobicContact CB-CG2 3.66Å; M64-V69 HydrophobicContact CE-CG2 3.94Å; M64-V69 HydrophobicContact CG-CG2 4.49Å; M64-V69 HydrophobicContact SD-CG2 4.07Å; M64-A72 HydrophobicContact CE-CB 3.96Å; M64-F158 HydrophobicContact CE-CE1 4.25Å; M64-F158 HydrophobicContact CE-CZ 3.65Å; M64-F158 HydrophobicContact SD-CE1 4.26Å; M64-F158 HydrophobicContact SD-CZ 4.23Å; M64-Y204 VanDerWaalsContact CA-OH 3.31Å; M64-Y204 WeakPolarHBondContact CA-OH 3.5Å
65T92.9Very high96.2Very high4 Ų428.1 Ų28.13%0.02514%0.137CC..  trans-71.3157.6169.361.30000110.3P67 A68 V69 A200 Y204 D262T65-P67 VanDerWaalsContact C-N 3.34Å; T65-A68 PolarHBondContact O-N 3.17Å; T65-A68 VanDerWaalsContact O-N 3.09Å; T65-A68 VanDerWaalsContact OG1-CB 3.25Å; T65-A68 WeakPolarHBondContact OG1-CB 3.5Å; T65-A68 PolarHBondContact OG1-N 2.78Å; T65-V69 PolarHBondContact O-N 2.67Å; T65-A200 HydrophobicContact CG2-CB 4.33Å; T65-A200 WeakPolarHBondContact CG2-O 3.27Å; T65-Y204 HydrophobicContact CG2-CD2 3.61Å; T65-Y204 HydrophobicContact CG2-CE2 3.95Å; T65-Y204 HydrophobicContact CG2-CG 4.02Å; T65-D262 VanDerWaalsContact CB-O 3.29Å; T65-D262 WeakPolarHBondContact CB-O 3.23Å
66T93.2Very high96.2Very high20 Ų2029.7 Ų29.712%0.12314%0.142CC..Hα-helixtrans-57.5-42.2176.4-63.80000111.9V69 S70 I83 D262 T264T66-V69 PolarHBondContact O-N 3.31Å; T66-S70 PolarHBondContact O-N 3.45Å; T66-I83 HydrophobicContact CG2-CD1 4.02Å; T66-D262 PolarHBondContact N-O 3.39Å; T66-D262 PolarHBondContact OG1-OD2 3.33Å; T66-T264 VanDerWaalsContact CB-CG2 3.44Å; T66-T264 HydrophobicContact CG2-CG2 3.76Å
67P95.7Very high96.2Very high37 Ų3737.2 Ų37.224%0.2418%0.177CC..Hα-helixtrans-62.6-38.7172.6-24.636000113.9T65 S70 L71 Y164 D262 G263T65-P67 VanDerWaalsContact C-N 3.34Å; P67-S70 PolarHBondContact O-N 3.4Å; P67-L71 WeakPolarHBondContact O-CB 3.39Å; P67-L71 PolarHBondContact O-N 2.84Å; P67-Y164 HydrophobicContact CB-CE2 4Å; P67-D262 WeakPolarHBondContact CD-O 3Å; P67-G263 WeakPolarHBondContact CG-O 3.49Å
68A97.5Very high96.2Very high4 Ų437.2 Ų37.23%0.03318%0.178CC..Hα-helixtrans-66.1-38.3177.400000112.3M64 T65 L71 A72 Y164 Y204M64-A68 HydrophobicContact CE-CB 4.44Å; T65-A68 PolarHBondContact O-N 3.17Å; T65-A68 VanDerWaalsContact O-N 3.09Å; T65-A68 VanDerWaalsContact OG1-CB 3.25Å; T65-A68 WeakPolarHBondContact OG1-CB 3.5Å; T65-A68 PolarHBondContact OG1-N 2.78Å; A68-L71 PolarHBondContact O-N 2.97Å; A68-A72 WeakPolarHBondContact O-CB 3.15Å; A68-A72 PolarHBondContact O-N 2.9Å; A68-Y164 HydrophobicContact CB-CD2 4.13Å; A68-Y204 HydrophobicContact CB-CD1 4.08Å; A68-Y204 HydrophobicContact CB-CE1 3.28Å
69V97.8Very high96.2Very high0 Ų040.7 Ų40.70%020%0.196CC..Hα-helixtrans-63.2-46.4172.3174.10000110.7I28 M64 T65 T66 L71 A72 I73 I83I28-V69 HydrophobicContact CB-CG1 4.17Å; I28-V69 HydrophobicContact CG2-CB 4.39Å; I28-V69 HydrophobicContact CG2-CG1 3.89Å; I28-V69 HydrophobicContact CG2-CG2 4.29Å; M64-V69 HydrophobicContact CB-CG2 3.66Å; M64-V69 HydrophobicContact CE-CG2 3.94Å; M64-V69 HydrophobicContact CG-CG2 4.49Å; M64-V69 HydrophobicContact SD-CG2 4.07Å; T65-V69 PolarHBondContact O-N 2.67Å; T66-V69 PolarHBondContact O-N 3.31Å; V69-L71 VanDerWaalsContact C-N 3.33Å; V69-L71 PolarHBondContact O-N 3.21Å; V69-A72 PolarHBondContact O-N 3.42Å; V69-I73 HydrophobicContact CG1-CD1 3.84Å; V69-I73 HydrophobicContact CG1-CG1 4.31Å; V69-I73 VanDerWaalsContact O-CG1 3.27Å; V69-I73 WeakPolarHBondContact O-CG1 3.37Å; V69-I73 PolarHBondContact O-N 3.47Å; V69-I83 HydrophobicContact CB-CD1 4Å; V69-I83 HydrophobicContact CB-CG1 4.07Å; V69-I83 HydrophobicContact CG1-CD1 3.84Å; V69-I83 HydrophobicContact CG1-CG1 3.72Å; V69-I83 HydrophobicContact CG2-CD1 4.5Å; V69-I83 HydrophobicContact CG2-CG1 4.14Å
70S97.9Very high96.4Very high34 Ų3440.7 Ų40.724%0.23820%0.196CC..Hα-helixtrans-58.3-44.2176.5179.40000112.3T66 P67 I73 R74 G106T66-S70 PolarHBondContact O-N 3.45Å; P67-S70 PolarHBondContact O-N 3.4Å; S70-I73 PolarHBondContact O-N 3.41Å; S70-R74 WeakPolarHBondContact O-CG 3.34Å; S70-R74 PolarHBondContact O-N 2.82Å; S70-G106 VanDerWaalsContact CB-O 3.23Å; S70-G106 WeakPolarHBondContact CB-O 3.22Å; S70-G106 PolarHBondContact OG-O 3.46Å
71L98.1Very high96.6Very high31 Ų3136 Ų3616%0.16218%0.176CC..Hα-helixtrans-59.5-51.8174.9173.862000111.1P67 A68 V69 I73 R74 Q75 Y164 C167P67-L71 WeakPolarHBondContact O-CB 3.39Å; P67-L71 PolarHBondContact O-N 2.84Å; A68-L71 PolarHBondContact O-N 2.97Å; V69-L71 VanDerWaalsContact C-N 3.33Å; V69-L71 PolarHBondContact O-N 3.21Å; L71-I73 VanDerWaalsContact C-N 3.33Å; L71-I73 PolarHBondContact O-N 2.79Å; L71-R74 PolarHBondContact O-N 2.78Å; L71-R74 VanDerWaalsContact O-N 3.15Å; L71-Q75 VanDerWaalsContact O-CB 3.29Å; L71-Q75 WeakPolarHBondContact O-CB 3.32Å; L71-Q75 PolarHBondContact O-N 2.82Å; L71-Y164 HydrophobicContact CD2-CD2 3.87Å; L71-Y164 HydrophobicContact CD2-CG 4.48Å; L71-C167 HydrophobicContact CD1-CB 4.14Å; L71-C167 VanDerWaalsContact CD1-SG 3.57Å; L71-C167 HydrophobicContact CD2-CB 3.55Å
72A98.6Very high96.8Very high4 Ų432.4 Ų32.43%0.03316%0.156CC..Hα-helixtrans-60.7-40.9-178.400000112I28 M64 A68 V69 R74 Q75 Y76 F158I28-A72 HydrophobicContact CD1-CB 4.06Å; I28-A72 HydrophobicContact CG1-CB 4.04Å; I28-A72 HydrophobicContact CG2-CB 4.04Å; M64-A72 HydrophobicContact CE-CB 3.96Å; A68-A72 WeakPolarHBondContact O-CB 3.15Å; A68-A72 PolarHBondContact O-N 2.9Å; V69-A72 PolarHBondContact O-N 3.42Å; A72-R74 VanDerWaalsContact C-N 3.3Å; A72-R74 PolarHBondContact O-N 3.38Å; A72-Q75 PolarHBondContact O-N 3.36Å; A72-Y76 HydrophobicContact CB-CD2 4.15Å; A72-Y76 WeakPolarHBondContact O-CB 3.38Å; A72-Y76 WeakPolarHBondContact O-CD2 3.15Å; A72-Y76 PolarHBondContact O-N 3.15Å; A72-F158 HydrophobicContact CB-CZ 3.98Å
73I98.8Very high96.9Very high0 Ų032.4 Ų32.40%016%0.157CC..Hα-helixtrans-56-48175.4-69.7165.8000110.4I28 V69 S70 L71 H77 A78 N102I28-I73 HydrophobicContact CB-CG1 4.03Å; I28-I73 HydrophobicContact CG1-CB 4.38Å; I28-I73 HydrophobicContact CG1-CG1 3.57Å; V69-I73 HydrophobicContact CG1-CD1 3.84Å; V69-I73 HydrophobicContact CG1-CG1 4.31Å; V69-I73 VanDerWaalsContact O-CG1 3.27Å; V69-I73 WeakPolarHBondContact O-CG1 3.37Å; V69-I73 PolarHBondContact O-N 3.47Å; S70-I73 PolarHBondContact O-N 3.41Å; L71-I73 VanDerWaalsContact C-N 3.33Å; L71-I73 PolarHBondContact O-N 2.79Å; I73-H77 WeakPolarHBondContact O-CA 3.33Å; I73-H77 PolarHBondContact O-N 3.5Å; I73-H77 VanDerWaalsContact O-N 3.12Å; I73-A78 HydrophobicContact CB-CB 4.5Å; I73-A78 HydrophobicContact CG1-CB 4.47Å; I73-A78 HydrophobicContact CG2-CB 4.39Å; I73-A78 PolarHBondContact O-N 2.93Å; I73-N102 HydrophobicContact CD1-CB 3.86Å
74R98.3Very high96.8Very high159 Ų15931.9 Ų31.960%0.615%0.154SC*.Hα-helixtrans-71.5-41.3-177.9-66.7169.461.687.42112.5S70 L71 A72 S105S70-R74 WeakPolarHBondContact O-CG 3.34Å; S70-R74 PolarHBondContact O-N 2.82Å; L71-R74 PolarHBondContact O-N 2.78Å; L71-R74 VanDerWaalsContact O-N 3.15Å; A72-R74 VanDerWaalsContact C-N 3.3Å; A72-R74 PolarHBondContact O-N 3.38Å; R74-S105 WeakPolarHBondContact CG-O 3.42Å; R74-S105 PolarHBondContact NH1-O 2.84Å
75Q97.7Very high96.1Very high67 Ų6731.8 Ų31.831%0.31315%0.154SC..Hα-helixtrans-70.1-40.5-177.1176.6170.3-35.100112.1L71 A72L71-Q75 VanDerWaalsContact O-CB 3.29Å; L71-Q75 WeakPolarHBondContact O-CB 3.32Å; L71-Q75 PolarHBondContact O-N 2.82Å; A72-Q75 PolarHBondContact O-N 3.36Å
76Y98.2Very high95Very high61 Ų6133.8 Ų33.824%0.23917%0.166CC..THydrogen-bonded Turntrans-997.2-176.8-64.1-68.6000113.6K26 M57 A72 A78 F158 D163K26-Y76 PolarHBondContact NZ-O 3.25Å; M57-Y76 HydrophobicContact CE-CD1 3.78Å; M57-Y76 HydrophobicContact CE-CD2 3.68Å; M57-Y76 HydrophobicContact CE-CE1 4Å; M57-Y76 HydrophobicContact CE-CE2 3.91Å; M57-Y76 HydrophobicContact CE-CG 3.62Å; M57-Y76 HydrophobicContact SD-CD1 4.34Å; M57-Y76 HydrophobicContact SD-CD2 4.21Å; M57-Y76 HydrophobicContact SD-CG 3.86Å; A72-Y76 HydrophobicContact CB-CD2 4.15Å; A72-Y76 WeakPolarHBondContact O-CB 3.38Å; A72-Y76 WeakPolarHBondContact O-CD2 3.15Å; A72-Y76 PolarHBondContact O-N 3.15Å; Y76-A78 VanDerWaalsContact C-N 3.29Å; Y76-A78 PolarHBondContact O-N 3.4Å; Y76-F158 HydrophobicContact CE2-CD2 4.35Å; Y76-F158 AromaticContact CE2-CE2 3.99Å; Y76-F158 HydrophobicContact CE2-CE2 3.99Å; Y76-D163 PolarHBondContact OH-OD2 3.03Å
77H98.1Very high93.5Very high158 Ų15840.4 Ų40.473%0.73119%0.189SC*.THydrogen-bonded Turntrans49.650.1-178-55.9-72.3000111.7I73I73-H77 WeakPolarHBondContact O-CA 3.33Å; I73-H77 PolarHBondContact O-N 3.5Å; I73-H77 VanDerWaalsContact O-N 3.12Å
78A98.6Very high91.5Very high4 Ų443.3 Ų43.33%0.03320%0.202CC..  trans-79153.8176.200000110.9K26 I28 I73 Y76 G80K26-A78 HydrophobicContact CB-CB 4.47Å; K26-A78 HydrophobicContact CD-CB 4.16Å; K26-A78 HydrophobicContact CG-CB 4.11Å; K26-A78 WeakPolarHBondContact O-CB 3.48Å; I28-A78 HydrophobicContact CD1-CB 3.99Å; I28-A78 HydrophobicContact CG1-CB 3.86Å; I73-A78 HydrophobicContact CB-CB 4.5Å; I73-A78 HydrophobicContact CG1-CB 4.47Å; I73-A78 HydrophobicContact CG2-CB 4.39Å; I73-A78 PolarHBondContact O-N 2.93Å; Y76-A78 VanDerWaalsContact C-N 3.29Å; Y76-A78 PolarHBondContact O-N 3.4Å; A78-G80 PolarHBondContact O-N 2.88Å
79D98.5Very high89.3Confident72 Ų7245.7 Ų45.739%0.38521%0.213SC..SBendtrans-74.6-16.5179.1-59.3-68.8000112.3L18 S25 K26 F104L18-D79 HydrophobicContact CD2-CB 4.11Å; S25-D79 VanDerWaalsContact CA-OD2 3.32Å; S25-D79 WeakPolarHBondContact CA-OD2 3.23Å; S25-D79 VanDerWaalsContact CB-OD2 3.32Å; S25-D79 WeakPolarHBondContact CB-OD2 3.47Å; K26-D79 PolarHBondContact N-OD2 3Å; K26-D79 PolarHBondContact O-N 2.82Å; D79-F104 PolarHBondContact O-N 3.29Å
80G98.5Very high86.7Confident0 Ų055.6 Ų55.60%026%0.256CS..EExtended strand (participates in β ladder)trans170.3-165.9174.900000112.4L27 I28 A78 N102L27-G80 WeakPolarHBondContact CA-O 3.36Å; I28-G80 PolarHBondContact N-O 2.83Å; A78-G80 PolarHBondContact O-N 2.88Å; G80-N102 CarbonylContact C-O 3.56Å; G80-N102 WeakPolarHBondContact CA-O 3.33Å
81G98.2Very high84Confident0 Ų059 Ų590%027%0.268CS..EExtended strand (participates in β ladder)trans-157.9147173.700000114.2I28 F101 N102I28-G81 CarbonylContact O-C 3.51Å; I28-G81 WeakPolarHBondContact O-CA 3.45Å; G81-F101 CarbonylContact O-C 3.5Å; G81-F101 WeakPolarHBondContact O-CA 3.35Å; G81-N102 PolarHBondContact N-O 3.41Å; G81-N102 PolarHBondContact O-N 2.91Å
82I97.4Very high81.6Confident1 Ų162.5 Ų62.51%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-100.2127.6176.7-61.3171.5000108L14 L27 I28 L29 G30 I44 I99 K100 F101L14-I82 HydrophobicContact CD2-CD1 4.25Å; L27-I82 HydrophobicContact CD1-CD1 4.5Å; I28-I82 PolarHBondContact O-N 3.33Å; L29-I82 WeakPolarHBondContact CA-O 3.11Å; L29-I82 HydrophobicContact CD1-CB 3.94Å; L29-I82 HydrophobicContact CD1-CG2 4.01Å; G30-I82 PolarHBondContact N-O 2.97Å; I44-I82 HydrophobicContact CD1-CG2 3.98Å; I44-I82 HydrophobicContact CG2-CD1 3.81Å; I82-I99 HydrophobicContact CG2-CG2 3.56Å; I82-K100 WeakPolarHBondContact CA-O 3.42Å; I82-F101 HydrophobicContact CG1-CD2 3.73Å; I82-F101 HydrophobicContact CG1-CE2 4.05Å
83I93.8Very high79.1Confident1 Ų167 Ų671%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-122.3119.9-175.8-49.2174000109G30 T66 V69 I99 K100G30-I83 WeakPolarHBondContact O-CA 3.34Å; T66-I83 HydrophobicContact CG2-CD1 4.02Å; V69-I83 HydrophobicContact CB-CD1 4Å; V69-I83 HydrophobicContact CB-CG1 4.07Å; V69-I83 HydrophobicContact CG1-CD1 3.84Å; V69-I83 HydrophobicContact CG1-CG1 3.72Å; V69-I83 HydrophobicContact CG2-CD1 4.5Å; V69-I83 HydrophobicContact CG2-CG1 4.14Å; I83-I99 WeakPolarHBondContact O-CA 3.15Å; I83-K100 HydrophobicContact CB-CB 4.28Å; I83-K100 PolarHBondContact N-O 3.3Å; I83-K100 PolarHBondContact O-N 3.21Å
84L90.3Very high76.8Confident8 Ų869.5 Ų69.54%0.04233%0.33CS..EExtended strand (participates in β ladder)trans-86.9111.4167.9-170.977.9000109.4G30 M32 S37 I40 F97 A98 I99G30-L84 PolarHBondContact O-N 2.84Å; M32-L84 WeakPolarHBondContact CG-O 3.13Å; S37-L84 VanDerWaalsContact CA-CD2 3.43Å; S37-L84 WeakPolarHBondContact OG-CD2 3.29Å; I40-L84 HydrophobicContact CB-CD1 4.46Å; I40-L84 HydrophobicContact CB-CD2 4.37Å; I40-L84 HydrophobicContact CD1-CD1 3.99Å; I40-L84 HydrophobicContact CD1-CD2 4.34Å; I40-L84 HydrophobicContact CG2-CD1 3.82Å; I40-L84 HydrophobicContact CG2-CD2 4.46Å; L84-F97 HydrophobicContact CD1-CB 4.22Å; L84-F97 HydrophobicContact CD1-CD2 3.55Å; L84-F97 HydrophobicContact CD1-CE2 4.31Å; L84-F97 HydrophobicContact CD1-CG 4.17Å; L84-A98 WeakPolarHBondContact CA-O 3.46Å; L84-I99 HydrophobicContact CD1-CD1 4.39Å; L84-I99 HydrophobicContact CD1-CG1 3.82Å
85A80.1Confident74.9Confident2 Ų264.2 Ų64.22%0.01733%0.325CS..EExtended strand (participates in β ladder)trans-122.4164.1-176.900000111.6F97 A98 K100A85-F97 CarbonylContact O-C 3.4Å; A85-F97 WeakPolarHBondContact O-CA 3.27Å; A85-A98 PolarHBondContact N-O 3.38Å; A85-A98 PolarHBondContact O-N 3.02Å; A85-K100 HydrophobicContact CB-CD 4.19Å
86T70.7Confident73.6Confident47 Ų4764.8 Ų64.829%0.28833%0.328SS..EExtended strand (participates in β ladder)trans-81.3144165.642.70000111.2M32M32-T86 HydrophobicContact CE-CG2 3.3Å; M32-T86 VanDerWaalsContact CE-OG1 3.29Å; M32-T86 WeakPolarHBondContact CE-OG1 3.48Å
87R60.8Low72.7Confident159 Ų15964.5 Ų64.560%0.633%0.328SS*.SBendtrans-76-39.5-175.8-162.6-173.1-178.6-165-0.7112.5E96R87-E96 HydrophobicContact CB-CB 4.39Å; R87-E96 WeakPolarHBondContact CD-OE2 3.31Å; R87-E96 IonicContact CZ-OE2 3.47Å; R87-E96 IonicContact NE-OE2 3.53Å; R87-E96 IonicContact NH1-OE1 3.56Å; R87-E96 IonicContact NH1-OE2 2.73Å; R87-E96 PolarHBondContact NH1-OE2 2.85Å
88N54.3Low72.1Confident97 Ų9758.2 Ų58.252%0.51930%0.304SS..  trans-153.3127.8179.6-95.4-30.1000110.8K90 E91N88-K90 VanDerWaalsContact C-N 3.29Å; N88-K90 PolarHBondContact O-N 2.93Å; N88-E91 PolarHBondContact O-N 3.29Å
89Q50Low71.8Confident55 Ų5559.1 Ų59.126%0.25731%0.308SS..THydrogen-bonded Turntrans-76.9-15.1179.1-72.9-179.88.800114.3E91 D260Q89-E91 VanDerWaalsContact C-N 3.31Å; Q89-D260 PolarHBondContact NE2-OD2 3.07Å
90K43.8Very low71.5Confident208 Ų20859.4 Ų59.490%0.90431%0.306SS*.THydrogen-bonded Turntrans-72.3-28.1175.3-72.8-170.3174.7-173.40112.3N88N88-K90 VanDerWaalsContact C-N 3.29Å; N88-K90 PolarHBondContact O-N 2.93Å
91E41.7Very low71.3Confident106 Ų10660.1 Ų60.150%0.49531%0.309SS..  trans-109.967.8-179-69.3179.9-174.800109N88 Q89 S93N88-E91 PolarHBondContact O-N 3.29Å; Q89-E91 VanDerWaalsContact C-N 3.31Å; E91-S93 PolarHBondContact O-N 3.5Å
92K46.9Very low71.3Confident104 Ų10460.6 Ų60.645%0.45231%0.311SS..G310 helixtrans-57.1-31.9172.5-77.6-175.5178.7-1770110.9S94 L232K92-S94 PolarHBondContact O-N 3.11Å; K92-L232 HydrophobicContact CB-CD2 4.2Å; K92-L232 WeakPolarHBondContact O-CD1 3.23Å; K92-L232 WeakPolarHBondContact O-CD2 3.38Å; K92-L232 WeakPolarHBondContact O-CG 3.39Å
93S46.3Very low71.3Confident98 Ų9861.1 Ų61.169%0.68532%0.317SS*.G310 helixtrans-72.5-13.9-170.755.40000116.8E91E91-S93 PolarHBondContact O-N 3.5Å
94S51.3Low71.5Confident52 Ų5268.8 Ų68.836%0.36435%0.35SS..G310 helixtrans-91.7-4.9-168.963.40000115.5K92 E96K92-S94 PolarHBondContact O-N 3.11Å; S94-E96 PolarHBondContact O-N 2.98Å; S94-E96 VanDerWaalsContact OG-CG 3.31Å; S94-E96 WeakPolarHBondContact OG-CG 3.31Å
95G58.4Low71.8Confident48 Ų4871.2 Ų71.250%0.49537%0.368SS..  trans58.717.6-175.700000113.3F97G95-F97 PolarHBondContact O-N 3.28Å
96E70.2Confident72.6Confident79 Ų7971.1 Ų71.137%0.36937%0.367SS..  trans-75.7123.5-177.7-76.9-169.4-172.200111.2R87 S94R87-E96 HydrophobicContact CB-CB 4.39Å; R87-E96 WeakPolarHBondContact CD-OE2 3.31Å; R87-E96 IonicContact CZ-OE2 3.47Å; R87-E96 IonicContact NE-OE2 3.53Å; R87-E96 IonicContact NH1-OE1 3.56Å; R87-E96 IonicContact NH1-OE2 2.73Å; R87-E96 PolarHBondContact NH1-OE2 2.85Å; S94-E96 PolarHBondContact O-N 2.98Å; S94-E96 VanDerWaalsContact OG-CG 3.31Å; S94-E96 WeakPolarHBondContact OG-CG 3.31Å
97F79.4Confident73.9Confident55 Ų5569.8 Ų69.824%0.24136%0.363CS..EExtended strand (participates in β ladder)trans-115.1160.1172.965.5-85.3000110.5M1 V6 P36 I40 L84 A85 G95 I99M1-F97 HydrophobicContact CE-CE1 3.66Å; M1-F97 HydrophobicContact CE-CZ 3.74Å; M1-F97 HydrophobicContact CG-CZ 4.38Å; M1-F97 HydrophobicContact SD-CE1 4.43Å; M1-F97 HydrophobicContact SD-CZ 4.02Å; V6-F97 HydrophobicContact CG2-CE2 4.14Å; V6-F97 HydrophobicContact CG2-CZ 3.95Å; P36-F97 HydrophobicContact CG-CD1 4.2Å; P36-F97 HydrophobicContact CG-CE1 4.41Å; I40-F97 HydrophobicContact CD1-CD1 4.01Å; I40-F97 HydrophobicContact CD1-CD2 3.74Å; I40-F97 HydrophobicContact CD1-CE1 3.81Å; I40-F97 HydrophobicContact CD1-CE2 3.51Å; I40-F97 HydrophobicContact CD1-CG 3.98Å; I40-F97 HydrophobicContact CD1-CZ 3.55Å; L84-F97 HydrophobicContact CD1-CB 4.22Å; L84-F97 HydrophobicContact CD1-CD2 3.55Å; L84-F97 HydrophobicContact CD1-CE2 4.31Å; L84-F97 HydrophobicContact CD1-CG 4.17Å; A85-F97 CarbonylContact O-C 3.4Å; A85-F97 WeakPolarHBondContact O-CA 3.27Å; G95-F97 PolarHBondContact O-N 3.28Å; F97-I99 HydrophobicContact CD2-CG1 4.16Å; F97-I99 HydrophobicContact CE2-CD1 4.2Å; F97-I99 HydrophobicContact CE2-CG1 4.17Å
98A85.9Confident75.5Confident27 Ų2767.4 Ų67.422%0.22337%0.368CS..EExtended strand (participates in β ladder)trans-125.8146173.300000109.1L84 A85L84-A98 WeakPolarHBondContact CA-O 3.46Å; A85-A98 PolarHBondContact N-O 3.38Å; A85-A98 PolarHBondContact O-N 3.02Å
99I91.6Very high77.5Confident23 Ų2363.6 Ų63.612%0.11835%0.348CS..EExtended strand (participates in β ladder)trans-111.8118.5170.7-52.4-174.8000107V6 L9 I10 L13 I40 I82 I83 L84 F97V6-I99 HydrophobicContact CG1-CD1 4.07Å; L9-I99 HydrophobicContact CD2-CB 4.04Å; L9-I99 HydrophobicContact CD2-CD1 4.21Å; L9-I99 HydrophobicContact CD2-CG1 4.33Å; I10-I99 HydrophobicContact CD1-CD1 3.78Å; I10-I99 HydrophobicContact CD1-CG2 3.9Å; L13-I99 HydrophobicContact CD1-CG2 3.65Å; I40-I99 HydrophobicContact CG2-CD1 4.13Å; I82-I99 HydrophobicContact CG2-CG2 3.56Å; I83-I99 WeakPolarHBondContact O-CA 3.15Å; L84-I99 HydrophobicContact CD1-CD1 4.39Å; L84-I99 HydrophobicContact CD1-CG1 3.82Å; F97-I99 HydrophobicContact CD2-CG1 4.16Å; F97-I99 HydrophobicContact CE2-CD1 4.2Å; F97-I99 HydrophobicContact CE2-CG1 4.17Å
100K91.2Very high79.7Confident78 Ų7865.2 Ų65.234%0.33936%0.364SS..EExtended strand (participates in β ladder)trans-106.7155.2178.6-55.5171.4-176.6167.80109.2I82 I83 A85 D262I82-K100 WeakPolarHBondContact CA-O 3.42Å; I83-K100 HydrophobicContact CB-CB 4.28Å; I83-K100 PolarHBondContact N-O 3.3Å; I83-K100 PolarHBondContact O-N 3.21Å; A85-K100 HydrophobicContact CB-CD 4.19Å; K100-D262 IonicContact NZ-OD2 3.42Å; K100-D262 PolarHBondContact NZ-OD2 2.86Å
101F96.2Very high82.1Confident14 Ų1461.6 Ų61.66%0.06135%0.348CS..EExtended strand (participates in β ladder)trans-126.2123.5170.5-169-78.1000109.7L13 A17 L18 L27 G81 I82 V109L13-F101 HydrophobicContact CB-CD2 4.45Å; L13-F101 HydrophobicContact CD2-CB 3.92Å; A17-F101 HydrophobicContact CB-CD1 3.69Å; A17-F101 HydrophobicContact CB-CD2 4.33Å; A17-F101 HydrophobicContact CB-CE1 3.45Å; A17-F101 VanDerWaalsContact CB-CE1 3.45Å; A17-F101 HydrophobicContact CB-CE2 4.13Å; A17-F101 HydrophobicContact CB-CG 4.14Å; A17-F101 HydrophobicContact CB-CZ 3.7Å; L18-F101 HydrophobicContact CD1-CZ 4.47Å; L18-F101 HydrophobicContact CD2-CZ 4.28Å; L18-F101 HydrophobicContact CG-CZ 4.19Å; L27-F101 HydrophobicContact CD2-CE2 4.22Å; L27-F101 HydrophobicContact CD2-CZ 4.07Å; G81-F101 CarbonylContact O-C 3.5Å; G81-F101 WeakPolarHBondContact O-CA 3.35Å; I82-F101 HydrophobicContact CG1-CD2 3.73Å; I82-F101 HydrophobicContact CG1-CE2 4.05Å; F101-V109 HydrophobicContact CD1-CG1 3.62Å; F101-V109 HydrophobicContact CE1-CG1 4.1Å
102N97.4Very high84.8Confident11 Ų1160 Ų606%0.05935%0.352CS..EExtended strand (participates in β ladder)trans-101.1142.7171.2-75.511.2000109.3I73 G80 G81 G106 G107I73-N102 HydrophobicContact CD1-CB 3.86Å; G80-N102 CarbonylContact C-O 3.56Å; G80-N102 WeakPolarHBondContact CA-O 3.33Å; G81-N102 PolarHBondContact N-O 3.41Å; G81-N102 PolarHBondContact O-N 2.91Å; N102-G106 PolarHBondContact ND2-O 2.73Å; N102-G107 CarbonylContact C-O 3.58Å; N102-G107 WeakPolarHBondContact CA-O 3.18Å; N102-G107 VanDerWaalsContact CB-O 3.24Å; N102-G107 WeakPolarHBondContact CB-O 3.38Å
103G97.5Very high87.1Confident11 Ų1156.6 Ų56.611%0.11334%0.341CS..EExtended strand (participates in β ladder)trans-86.4-178.2177.600000112.5S105 G106 G107G103-S105 PolarHBondContact O-N 2.99Å; G103-G106 PolarHBondContact O-N 2.73Å; G103-G107 PolarHBondContact N-O 2.9Å
104F97.4Very high89.5Confident162 Ų16258.6 Ų58.671%0.71133%0.333SS*.THydrogen-bonded Turntrans-52-21.5-179.774.1-90.9000115.6D79 G106D79-F104 PolarHBondContact O-N 3.29Å; F104-G106 PolarHBondContact O-N 3.49Å
105S97.4Very high91.7Very high59 Ų5960.4 Ų60.441%0.41334%0.336SS..THydrogen-bonded Turntrans-71.8-12.6176.166.20000113.7R74 G103 G107R74-S105 WeakPolarHBondContact CG-O 3.42Å; R74-S105 PolarHBondContact NH1-O 2.84Å; G103-S105 PolarHBondContact O-N 2.99Å; S105-G107 VanDerWaalsContact C-N 3.27Å; S105-G107 PolarHBondContact OG-N 3.04Å
106G97.6Very high93.6Very high0 Ų060.5 Ų60.50%033%0.329CS..SBendtrans87.2-12.3-168.700000113.5S70 N102 G103 F104S70-G106 VanDerWaalsContact CB-O 3.23Å; S70-G106 WeakPolarHBondContact CB-O 3.22Å; S70-G106 PolarHBondContact OG-O 3.46Å; N102-G106 PolarHBondContact ND2-O 2.73Å; G103-G106 PolarHBondContact O-N 2.73Å; F104-G106 PolarHBondContact O-N 3.49Å
107G96.2Very high94.9Very high20 Ų2057.5 Ų57.521%0.20632%0.315CS..SBendtrans-99.8177.2-177.700000114.7N102 G103 S105N102-G107 CarbonylContact C-O 3.58Å; N102-G107 WeakPolarHBondContact CA-O 3.18Å; N102-G107 VanDerWaalsContact CB-O 3.24Å; N102-G107 WeakPolarHBondContact CB-O 3.38Å; G103-G107 PolarHBondContact N-O 2.9Å; S105-G107 VanDerWaalsContact C-N 3.27Å; S105-G107 PolarHBondContact OG-N 3.04Å
108P94.8Very high95.7Very high109 Ų10957.3 Ų57.371%0.70832%0.321SS*.BIsolated β-bridgetrans-57.1142.4175.6-2333.4000112.1
109V96.3Very high96.3Very high17 Ų1763.2 Ų63.210%0.10334%0.341CS..PPolyproline II helixtrans-66.6151.2177.8-68.50000112.8F101 V113 R114F101-V109 HydrophobicContact CD1-CG1 3.62Å; F101-V109 HydrophobicContact CE1-CG1 4.1Å; V109-V113 HydrophobicContact CB-CB 3.94Å; V109-V113 HydrophobicContact CB-CG1 3.86Å; V109-V113 HydrophobicContact CG1-CG1 4.21Å; V109-V113 HydrophobicContact CG2-CB 4.08Å; V109-V113 HydrophobicContact CG2-CG1 3.81Å; V109-R114 HydrophobicContact CG2-CG 3.78Å
110P95.7Very high96.6Very high89 Ų8965 Ų6558%0.57835%0.351SS*.PPolyproline II helixtrans-56.6159.2177.7-25.134.3000113.4A112 V113 R114P110-A112 VanDerWaalsContact C-N 3.27Å; P110-A112 PolarHBondContact O-N 2.98Å; P110-V113 PolarHBondContact O-N 3.21Å; P110-V113 VanDerWaalsContact O-N 3.08Å; P110-R114 PolarHBondContact O-N 3.16Å
111K96Very high96.9Very high132 Ų13264 Ų6457%0.57435%0.351SS*.Hα-helixtrans-52.9-43.1178.7-178.6176.9167.3-178.20112.6V113 R114 E115K111-V113 VanDerWaalsContact C-N 3.3Å; K111-V113 PolarHBondContact O-N 2.92Å; K111-R114 PolarHBondContact O-N 3.41Å; K111-R114 VanDerWaalsContact O-N 3.16Å; K111-E115 WeakPolarHBondContact CE-OE1 3.4Å; K111-E115 HydrophobicContact CG-CG 4.39Å; K111-E115 IonicContact NZ-OE1 3.76Å; K111-E115 WeakPolarHBondContact O-CG 3.42Å; K111-E115 PolarHBondContact O-N 3.49Å
112A96.8Very high97Very high71 Ų7173.5 Ų73.559%0.58739%0.387SS*.Hα-helixtrans-57.9-41.1179.400000112.7P110 E115 S116P110-A112 VanDerWaalsContact C-N 3.27Å; P110-A112 PolarHBondContact O-N 2.98Å; A112-E115 PolarHBondContact O-N 3.01Å; A112-S116 PolarHBondContact O-N 3.31Å
113V96.9Very high97Very high34 Ų3476.4 Ų76.421%0.20641%0.412CS..Hα-helixtrans-67.2-43.6176.9177.50000110.8A17 V109 P110 K111 E115 S116 I117A17-V113 HydrophobicContact CB-CG1 4.02Å; V109-V113 HydrophobicContact CB-CB 3.94Å; V109-V113 HydrophobicContact CB-CG1 3.86Å; V109-V113 HydrophobicContact CG1-CG1 4.21Å; V109-V113 HydrophobicContact CG2-CB 4.08Å; V109-V113 HydrophobicContact CG2-CG1 3.81Å; P110-V113 PolarHBondContact O-N 3.21Å; P110-V113 VanDerWaalsContact O-N 3.08Å; K111-V113 VanDerWaalsContact C-N 3.3Å; K111-V113 PolarHBondContact O-N 2.92Å; V113-E115 VanDerWaalsContact C-N 3.3Å; V113-E115 PolarHBondContact O-N 3.4Å; V113-S116 WeakPolarHBondContact O-CB 3.49Å; V113-S116 PolarHBondContact O-N 3.25Å; V113-I117 HydrophobicContact CG1-CD1 3.91Å; V113-I117 WeakPolarHBondContact O-CG1 3.38Å; V113-I117 PolarHBondContact O-N 3.24Å
114R95.8Very high97Very high140 Ų14078 Ų7853%0.52842%0.417SS..Hα-helixtrans-60.5-39.7176.1-65.5-172.3-73.2112.6-4.5112.4V109 P110 K111 S118V109-R114 HydrophobicContact CG2-CG 3.78Å; P110-R114 PolarHBondContact O-N 3.16Å; K111-R114 PolarHBondContact O-N 3.41Å; K111-R114 VanDerWaalsContact O-N 3.16Å; R114-S118 WeakPolarHBondContact O-CB 3.32Å; R114-S118 PolarHBondContact O-N 3.46Å
115E97.4Very high97Very high90 Ų9076.2 Ų76.242%0.42142%0.42SS..Hα-helixtrans-68.1-38.8176-72.7177.417200112K111 A112 V113 S118 K119K111-E115 WeakPolarHBondContact CE-OE1 3.4Å; K111-E115 HydrophobicContact CG-CG 4.39Å; K111-E115 IonicContact NZ-OE1 3.76Å; K111-E115 WeakPolarHBondContact O-CG 3.42Å; K111-E115 PolarHBondContact O-N 3.49Å; A112-E115 PolarHBondContact O-N 3.01Å; V113-E115 VanDerWaalsContact C-N 3.3Å; V113-E115 PolarHBondContact O-N 3.4Å; E115-S118 PolarHBondContact O-N 3.18Å; E115-K119 WeakPolarHBondContact O-CG 3.43Å; E115-K119 PolarHBondContact O-N 3.49Å
116S97.4Very high97Very high50 Ų5078.8 Ų78.835%0.3543%0.425SS..Hα-helixtrans-57.8-52.1172.9-1740000111.3A112 V113 S118 K119 L120A112-S116 PolarHBondContact O-N 3.31Å; V113-S116 WeakPolarHBondContact O-CB 3.49Å; V113-S116 PolarHBondContact O-N 3.25Å; S116-S118 VanDerWaalsContact C-N 3.33Å; S116-S118 PolarHBondContact O-N 2.83Å; S116-K119 PolarHBondContact O-N 2.89Å; S116-K119 VanDerWaalsContact O-N 3.12Å; S116-L120 WeakPolarHBondContact O-CG 3.42Å; S116-L120 PolarHBondContact O-N 3.19Å
117I97.3Very high97Very high16 Ų1681 Ų818%0.08244%0.435CS..Hα-helixtrans-56.5-47.4175.8-65.3160.6000110.6C12 L13 A17 V113 K119 L120 T121C12-I117 HydrophobicContact CB-CG2 4.49Å; L13-I117 HydrophobicContact CD2-CD1 3.88Å; L13-I117 HydrophobicContact CD2-CG1 4.48Å; L13-I117 HydrophobicContact CD2-CG2 3.94Å; A17-I117 HydrophobicContact CB-CD1 4.37Å; V113-I117 HydrophobicContact CG1-CD1 3.91Å; V113-I117 WeakPolarHBondContact O-CG1 3.38Å; V113-I117 PolarHBondContact O-N 3.24Å; I117-K119 VanDerWaalsContact C-N 3.27Å; I117-K119 PolarHBondContact O-N 2.8Å; I117-L120 PolarHBondContact O-N 3.19Å; I117-T121 HydrophobicContact CG2-CG2 4.43Å; I117-T121 WeakPolarHBondContact O-CG2 3.25Å; I117-T121 PolarHBondContact O-N 2.55Å
118S97.2Very high97.1Very high51 Ų5185 Ų8536%0.35745%0.447SS..Hα-helixtrans-64.9-28.1-179.6-177.70000113.7R114 E115 S116 T121 R122R114-S118 WeakPolarHBondContact O-CB 3.32Å; R114-S118 PolarHBondContact O-N 3.46Å; E115-S118 PolarHBondContact O-N 3.18Å; S116-S118 VanDerWaalsContact C-N 3.33Å; S116-S118 PolarHBondContact O-N 2.83Å; S118-T121 PolarHBondContact O-OG1 3.31Å; S118-T121 VanDerWaalsContact O-OG1 3.08Å; S118-R122 WeakPolarHBondContact O-CG 3.43Å
119K98.3Very high97.3Very high150 Ų15082.1 Ų82.165%0.65243%0.428SS*.Hα-helixtrans-72.5-44.9173.6-74.2174.1-177.2179.70110.2E115 S116 I117 T121 R122 A123E115-K119 WeakPolarHBondContact O-CG 3.43Å; E115-K119 PolarHBondContact O-N 3.49Å; S116-K119 PolarHBondContact O-N 2.89Å; S116-K119 VanDerWaalsContact O-N 3.12Å; I117-K119 VanDerWaalsContact C-N 3.27Å; I117-K119 PolarHBondContact O-N 2.8Å; K119-T121 PolarHBondContact O-N 2.86Å; K119-R122 PolarHBondContact O-N 3.11Å; K119-A123 PolarHBondContact O-N 3.22Å
120L98.1Very high97.3Very high60 Ų6082.6 Ų82.631%0.31443%0.431SS..Hα-helixtrans-60.2-42.6177.8-68.1170.8000112C12 D15 G16 S116 I117 R122 A123 I124C12-L120 HydrophobicContact CB-CB 4Å; D15-L120 HydrophobicContact CB-CD1 3.82Å; G16-L120 VanDerWaalsContact CA-CD1 3.5Å; S116-L120 WeakPolarHBondContact O-CG 3.42Å; S116-L120 PolarHBondContact O-N 3.19Å; I117-L120 PolarHBondContact O-N 3.19Å; L120-R122 PolarHBondContact O-N 2.9Å; L120-R122 VanDerWaalsContact O-N 3.12Å; L120-A123 CarbonylContact O-C 3.24Å; L120-A123 PolarHBondContact O-N 3.27Å; L120-I124 WeakPolarHBondContact O-CB 3.49Å; L120-I124 PolarHBondContact O-N 2.86Å
121T97.4Very high97.3Very high57 Ų5782.6 Ų82.635%0.3543%0.431SS..Hα-helixtrans-63.4-21.6179.557.90000114L9 C12 I117 S118 K119L9-T121 HydrophobicContact CD1-CG2 4.07Å; C12-T121 HydrophobicContact CB-CG2 3.56Å; C12-T121 VanDerWaalsContact SG-CA 3.55Å; C12-T121 PolarHBondContact SG-N 2.81Å; I117-T121 HydrophobicContact CG2-CG2 4.43Å; I117-T121 WeakPolarHBondContact O-CG2 3.25Å; I117-T121 PolarHBondContact O-N 2.55Å; S118-T121 PolarHBondContact O-OG1 3.31Å; S118-T121 VanDerWaalsContact O-OG1 3.08Å; K119-T121 PolarHBondContact O-N 2.86Å
122R97.6Very high97.2Very high215 Ų21585.2 Ų85.281%0.81145%0.445SS*.Hα-helixtrans-88.5-17.6175.3-64.9176.8-175.2-162.61.6113.3S118 K119 L120S118-R122 WeakPolarHBondContact O-CG 3.43Å; K119-R122 PolarHBondContact O-N 3.11Å; L120-R122 PolarHBondContact O-N 2.9Å; L120-R122 VanDerWaalsContact O-N 3.12Å
123A97.8Very high97.2Very high72 Ų7283.1 Ų83.160%0.59542%0.424SS*.Hα-helixtrans-113.4-10.4-174.200000113.6K119 L120 T125K119-A123 PolarHBondContact O-N 3.22Å; L120-A123 CarbonylContact O-C 3.24Å; L120-A123 PolarHBondContact O-N 3.27Å; A123-T125 PolarHBondContact O-N 3.42Å
124I98Very high97.2Very high43 Ų4391.4 Ų91.422%0.22145%0.452CS..  trans-59.5132.4-176-172164.5000112N8 Q11 C12 L120 H126N8-I124 HydrophobicContact CB-CD1 4.02Å; N8-I124 HydrophobicContact CB-CG2 4.22Å; N8-I124 WeakPolarHBondContact O-CD1 3.32Å; Q11-I124 HydrophobicContact CB-CD1 3.82Å; Q11-I124 HydrophobicContact CG-CD1 3.8Å; C12-I124 VanDerWaalsContact SG-CD1 3.52Å; L120-I124 WeakPolarHBondContact O-CB 3.49Å; L120-I124 PolarHBondContact O-N 2.86Å; I124-H126 WeakPolarHBondContact CD1-O 3.42Å; I124-H126 WeakPolarHBondContact CG1-O 3.44Å
125T97.4Very high97.1Very high126 Ų12685.2 Ų85.277%0.77343%0.429SS*.  trans-118.3-18.4177.755.30000113.2A123A123-T125 PolarHBondContact O-N 3.42Å
126H97.4Very high97Very high112 Ų11284.6 Ų84.652%0.51943%0.429SS..  trans-152.9161.9-178.262.1-76.1000110.5I124 F128I124-H126 WeakPolarHBondContact CD1-O 3.42Å; I124-H126 WeakPolarHBondContact CG1-O 3.44Å; H126-F128 AromaticContact CD2-CE2 3.83Å; H126-F128 AromaticContact CD2-CZ 3.77Å; H126-F128 AromaticContact NE2-CE2 3.95Å; H126-F128 AromaticContact NE2-CZ 3.93Å
127F97.9Very high96.8Very high48 Ų4883 Ų8321%0.21142%0.416CS..  trans-141.8160.3170.262.2-88.9000109.1N4 E7 N8 Q11 V129N4-F127 HydrophobicContact CB-CE1 3.89Å; N4-F127 HydrophobicContact CB-CZ 4.46Å; E7-F127 HydrophobicContact CB-CD1 4.11Å; E7-F127 HydrophobicContact CB-CD2 3.66Å; E7-F127 HydrophobicContact CB-CE1 3.99Å; E7-F127 HydrophobicContact CB-CE2 3.51Å; E7-F127 HydrophobicContact CB-CG 3.95Å; E7-F127 HydrophobicContact CB-CZ 3.69Å; E7-F127 HydrophobicContact CG-CD2 4.32Å; E7-F127 HydrophobicContact CG-CE2 3.77Å; E7-F127 HydrophobicContact CG-CZ 4Å; N8-F127 WeakPolarHBondContact OD1-CD1 3.17Å; Q11-F127 HydrophobicContact CB-CB 3.72Å; Q11-F127 HydrophobicContact CG-CB 3.81Å; F127-V129 HydrophobicContact CD2-CB 4.04Å; F127-V129 HydrophobicContact CD2-CG1 4.17Å; F127-V129 HydrophobicContact CE2-CB 3.87Å; F127-V129 HydrophobicContact CE2-CG1 3.66Å
128F97.9Very high96.5Very high103 Ų10385.1 Ų85.145%0.45243%0.432SS..  trans-103.7137.4175.8-57.7-82.3000110A50 H126A50-F128 VanDerWaalsContact CB-C 3.46Å; A50-F128 HydrophobicContact CB-CB 3.74Å; H126-F128 AromaticContact CD2-CE2 3.83Å; H126-F128 AromaticContact CD2-CZ 3.77Å; H126-F128 AromaticContact NE2-CE2 3.95Å; H126-F128 AromaticContact NE2-CZ 3.93Å
129V97.8Very high96.3Very high49 Ų4985.1 Ų85.130%0.29743%0.433SS..  trans-149.9142.7-178.265.20000110.5R46 V47 A50 F127 P131R46-V129 HydrophobicContact CB-CG2 3.69Å; V47-V129 HydrophobicContact CG2-CB 4.39Å; V47-V129 HydrophobicContact CG2-CG2 4.24Å; A50-V129 VanDerWaalsContact CB-N 3.34Å; F127-V129 HydrophobicContact CD2-CB 4.04Å; F127-V129 HydrophobicContact CD2-CG1 4.17Å; F127-V129 HydrophobicContact CE2-CB 3.87Å; F127-V129 HydrophobicContact CE2-CG1 3.66Å; V129-P131 HydrophobicContact CG1-CG 4.24Å; V129-P131 VanDerWaalsContact O-CD 3.32Å; V129-P131 WeakPolarHBondContact O-CD 3.33Å
130C97.7Very high96.3Very high26 Ų2682.7 Ų82.718%0.17643%0.426CS..  trans-95.393.8165.1-62.90000108.8R46 E132 L133R46-C130 WeakPolarHBondContact CB-O 3.44Å; R46-C130 WeakPolarHBondContact CG-O 3.49Å; R46-C130 PolarHBondContact O-N 3.32Å; R46-C130 VanDerWaalsContact O-N 3.11Å; C130-E132 VanDerWaalsContact C-N 3.3Å; C130-E132 PolarHBondContact O-N 3.42Å; C130-L133 HydrophobicContact CB-CB 3.96Å; C130-L133 HydrophobicContact CB-CD2 4.49Å; C130-L133 PolarHBondContact O-N 3.3Å
131P95.2Very high96.3Very high89 Ų8981.3 Ų81.358%0.57843%0.426SS*.THydrogen-bonded Turntrans-63.6-33.5-163.8-20.332.2000114.1R46 V129R46-P131 PolarHBondContact NE-O 3.42Å; R46-P131 PolarHBondContact NH1-O 3.03Å; R46-P131 PolarHBondContact NH2-O 2.95Å; V129-P131 HydrophobicContact CG1-CG 4.24Å; V129-P131 VanDerWaalsContact O-CD 3.32Å; V129-P131 WeakPolarHBondContact O-CD 3.33Å
132E94.7Very high96.3Very high187 Ų18782.8 Ų82.887%0.87443%0.432SS*.THydrogen-bonded Turntrans-90.6-11.2-173.4-58.3-170.2164.900113.5C130 R134C130-E132 VanDerWaalsContact C-N 3.3Å; C130-E132 PolarHBondContact O-N 3.42Å; E132-R134 PolarHBondContact O-N 3.04Å
133L96.7Very high96.3Very high27 Ų2775.1 Ų75.114%0.14141%0.405CS..  trans-62.6130.7-177.8174.965.2000110.6I45 R46 A49 C130 I135 V145 M153I45-L133 HydrophobicContact CG2-CD2 3.85Å; I45-L133 HydrophobicContact CG2-CG 4.43Å; R46-L133 HydrophobicContact CG-CB 4.09Å; R46-L133 PolarHBondContact NE-O 3.24Å; R46-L133 PolarHBondContact NH2-O 3.09Å; A49-L133 HydrophobicContact CB-CD2 3.66Å; C130-L133 HydrophobicContact CB-CB 3.96Å; C130-L133 HydrophobicContact CB-CD2 4.49Å; C130-L133 PolarHBondContact O-N 3.3Å; L133-I135 HydrophobicContact CD1-CD1 3.99Å; L133-I135 HydrophobicContact CD1-CG1 4.38Å; L133-V145 HydrophobicContact CD1-CB 4.43Å; L133-V145 HydrophobicContact CD1-CG1 3.73Å; L133-V145 HydrophobicContact CD1-CG2 3.76Å; L133-V145 HydrophobicContact CD2-CG1 3.87Å; L133-V145 HydrophobicContact CD2-CG2 4.38Å; L133-V145 HydrophobicContact CG-CG1 4.44Å; L133-M153 HydrophobicContact CD2-CE 4.17Å
134R95.7Very high96.3Very high208 Ų20876.6 Ų76.679%0.78541%0.407SS*.  trans-140.2126.4176-171.1174.8-178.1169.4-1109.5E132E132-R134 PolarHBondContact O-N 3.04Å
135I95.2Very high96.3Very high11 Ų1175.2 Ų75.26%0.05640%0.401CS..  trans-110.8138177-61.2-59.8000109.3Q42 I45 L133 L137 H143 V145 V155Q42-I135 PolarHBondContact NE2-O 3.32Å; Q42-I135 VanDerWaalsContact OE1-N 3.11Å; I45-I135 HydrophobicContact CD1-CB 4.27Å; I45-I135 HydrophobicContact CG2-CG1 3.82Å; L133-I135 HydrophobicContact CD1-CD1 3.99Å; L133-I135 HydrophobicContact CD1-CG1 4.38Å; I135-L137 HydrophobicContact CB-CD2 4.47Å; I135-L137 HydrophobicContact CG2-CD2 3.9Å; I135-H143 HydrophobicContact CD1-CB 3.88Å; I135-V145 HydrophobicContact CD1-CG2 3.85Å; I135-V155 HydrophobicContact CD1-CG2 4.41Å; I135-V155 HydrophobicContact CG1-CG1 4.48Å; I135-V155 HydrophobicContact CG1-CG2 4.34Å; I135-V155 HydrophobicContact CG2-CG1 4.02Å
136N93.8Very high96.3Very high77 Ų7775.5 Ų75.541%0.41239%0.393SS..  trans-78121.6170-174.920.7000109.4S138 S139 H143N136-S138 PolarHBondContact ND2-OG 3.2Å; N136-S138 PolarHBondContact OD1-N 2.81Å; N136-S138 VanDerWaalsContact OD1-N 3.13Å; N136-S138 PolarHBondContact OD1-OG 2.85Å; N136-S139 PolarHBondContact ND2-OG 3.18Å; N136-S139 VanDerWaalsContact ND2-OG 3.1Å; N136-H143 PolarHBondContact O-NE2 2.88Å
137L93Very high96.3Very high16 Ų1671.3 Ų71.38%0.08438%0.375CS..  trans-99.6-5.6178.8-56.4179.7000112.8L41 I45 I58 D61 I135 V157L41-L137 HydrophobicContact CB-CD1 4.27Å; L41-L137 HydrophobicContact CD1-CD1 4.23Å; I45-L137 HydrophobicContact CD1-CD1 4.47Å; I45-L137 HydrophobicContact CD1-CD2 4.13Å; I58-L137 HydrophobicContact CD1-CD2 3.82Å; I58-L137 HydrophobicContact CG2-CD2 4.32Å; D61-L137 WeakPolarHBondContact CA-O 3.34Å; D61-L137 PolarHBondContact N-O 3.22Å; I135-L137 HydrophobicContact CB-CD2 4.47Å; I135-L137 HydrophobicContact CG2-CD2 3.9Å; L137-V157 HydrophobicContact CD2-CG2 4.06Å
138S91.8Very high96.1Very high60 Ų6073.1 Ų73.142%0.4240%0.399SS..SBendtrans-84.7-13.5-172.768.10000114.9K60 D61 N136K60-S138 WeakPolarHBondContact CE-O 3.4Å; D61-S138 VanDerWaalsContact OD1-CA 3.32Å; D61-S138 WeakPolarHBondContact OD1-CA 3.43Å; N136-S138 PolarHBondContact ND2-OG 3.2Å; N136-S138 PolarHBondContact OD1-N 2.81Å; N136-S138 VanDerWaalsContact OD1-N 3.13Å; N136-S138 PolarHBondContact OD1-OG 2.85Å
139S94Very high95.9Very high52 Ų5276.8 Ų76.836%0.36442%0.423SS..SBendtrans-120.1137.8179.854.60000109.9N136 V157N136-S139 PolarHBondContact ND2-OG 3.18Å; N136-S139 VanDerWaalsContact ND2-OG 3.1Å; S139-V157 WeakPolarHBondContact O-CB 3.3Å; S139-V157 WeakPolarHBondContact O-CG1 3.28Å
140L97.7Very high95.8Very high99 Ų9977 Ų7752%0.51843%0.425SS..  trans-62.7146.4169.9-56.3-178.3000110.1K60 V157 F158 D159K60-L140 HydrophobicContact CB-CD2 3.96Å; K60-L140 HydrophobicContact CD-CD2 4.33Å; K60-L140 HydrophobicContact CG-CD2 4.23Å; L140-V157 VanDerWaalsContact CA-O 3.3Å; L140-V157 WeakPolarHBondContact CA-O 3.32Å; L140-V157 HydrophobicContact CD2-CG1 4.44Å; L140-F158 VanDerWaalsContact CD2-C 3.48Å; L140-D159 HydrophobicContact CD1-CB 4.21Å; L140-D159 HydrophobicContact CD2-CB 4.38Å
141G97.7Very high95.7Very high30 Ų3077.5 Ų77.531%0.30943%0.434SS..EExtended strand (participates in β ladder)trans139.7-175.1174.700000114V157G141-V157 PolarHBondContact N-O 3.13Å; G141-V157 PolarHBondContact O-N 2.86Å
142D97.5Very high95.8Very high88 Ų8876.9 Ų76.947%0.47143%0.429SS..EExtended strand (participates in β ladder)trans-107.1141.3-174.9-74-71.6000112.3R154D142-R154 VanDerWaalsContact CG-NH2 3.3Å; D142-R154 IonicContact OD1-CZ 3.11Å; D142-R154 IonicContact OD1-NE 2.67Å; D142-R154 PolarHBondContact OD1-NE 3.19Å; D142-R154 IonicContact OD1-NH2 2.78Å; D142-R154 PolarHBondContact OD1-NH2 3.46Å; D142-R154 IonicContact OD2-CZ 3.94Å; D142-R154 IonicContact OD2-NH2 3.17Å; D142-R154 PolarHBondContact OD2-NH2 3.49Å
143H97.9Very high96Very high54 Ų5468 Ų6825%0.2539%0.388CS..EExtended strand (participates in β ladder)trans-122.8134.7169.2-57.6-83.8000109.3I135 N136 R154 V155I135-H143 HydrophobicContact CD1-CB 3.88Å; N136-H143 PolarHBondContact O-NE2 2.88Å; H143-R154 CarbonylContact O-C 3.59Å; H143-R154 WeakPolarHBondContact O-CA 3.45Å; H143-V155 HydrophobicContact CB-CB 4.27Å; H143-V155 PolarHBondContact N-O 3.25Å; H143-V155 PolarHBondContact O-N 3.31Å
144T97.9Very high96.1Very high103 Ų10371.7 Ų71.763%0.63240%0.4SS*.EExtended strand (participates in β ladder)trans-104.5128.2172.2-58.30000108.9T152T144-T152 HydrophobicContact CG2-CG2 3.52Å
145V97.4Very high96.2Very high15 Ų1561.8 Ų61.89%0.09136%0.362CS..EExtended strand (participates in β ladder)trans-119113.2-179.6-178.10000108.7L133 I135 V147 T152 M153 V155L133-V145 HydrophobicContact CD1-CB 4.43Å; L133-V145 HydrophobicContact CD1-CG1 3.73Å; L133-V145 HydrophobicContact CD1-CG2 3.76Å; L133-V145 HydrophobicContact CD2-CG1 3.87Å; L133-V145 HydrophobicContact CD2-CG2 4.38Å; L133-V145 HydrophobicContact CG-CG1 4.44Å; I135-V145 HydrophobicContact CD1-CG2 3.85Å; V145-V147 HydrophobicContact CG1-CG2 3.98Å; V145-T152 WeakPolarHBondContact O-CA 3.39Å; V145-M153 HydrophobicContact CB-CB 4.36Å; V145-M153 HydrophobicContact CB-CE 4.27Å; V145-M153 HydrophobicContact CG1-CE 4.5Å; V145-M153 HydrophobicContact CG2-CE 4.2Å; V145-M153 PolarHBondContact N-O 3.49Å; V145-M153 PolarHBondContact O-N 3.08Å; V145-V155 HydrophobicContact CG2-CG2 4.24Å
146E97.4Very high96.4Very high132 Ų13263 Ų6362%0.61737%0.368SS*.EExtended strand (participates in β ladder)trans-91.2122.9173.6-65-60.2152.700110.1T152E146-T152 VanDerWaalsContact CD-OG1 3.23Å; E146-T152 WeakPolarHBondContact OE1-CG2 3.34Å; E146-T152 PolarHBondContact OE1-OG1 2.81Å; E146-T152 PolarHBondContact OE2-OG1 3.14Å
147V96.7Very high96.6Very high23 Ų2359.5 Ų59.514%0.13935%0.349CS..EExtended strand (participates in β ladder)trans-116.3114.6179-173.80000109.3A49 V145 N149 V150 G151A49-V147 HydrophobicContact CB-CG2 4.02Å; V145-V147 HydrophobicContact CG1-CG2 3.98Å; V147-N149 PolarHBondContact O-N 3.45Å; V147-V150 HydrophobicContact CB-CB 3.93Å; V147-V150 HydrophobicContact CB-CG1 4.49Å; V147-V150 HydrophobicContact CG1-CB 3.71Å; V147-V150 HydrophobicContact CG1-CG1 4.41Å; V147-V150 HydrophobicContact CG1-CG2 3.77Å; V147-V150 PolarHBondContact O-N 3.45Å; V147-G151 PolarHBondContact N-O 3.43Å; V147-G151 PolarHBondContact O-N 3.43Å
148A94Very high96.8Very high86 Ų8659.4 Ų59.471%0.71135%0.348SS*.THydrogen-bonded Turntrans-53.1129.8-178.400000111.7V150A148-V150 PolarHBondContact O-N 3.18Å; A148-V150 VanDerWaalsContact O-N 3.14Å
149N93.4Very high97.1Very high180 Ų18060.1 Ų60.196%0.96335%0.347SS*.THydrogen-bonded Turntrans61.59-178.1-50.6-51.5000116V147V147-N149 PolarHBondContact O-N 3.45Å
150V95.9Very high97.2Very high54 Ų5457.9 Ų57.933%0.32733%0.332SS..THydrogen-bonded Turntrans-117.6-43.8176.7177.70000110.8G52 V147 A148G52-V150 VanDerWaalsContact CA-CG1 3.43Å; V147-V150 HydrophobicContact CB-CB 3.93Å; V147-V150 HydrophobicContact CB-CG1 4.49Å; V147-V150 HydrophobicContact CG1-CB 3.71Å; V147-V150 HydrophobicContact CG1-CG1 4.41Å; V147-V150 HydrophobicContact CG1-CG2 3.77Å; V147-V150 PolarHBondContact O-N 3.45Å; A148-V150 PolarHBondContact O-N 3.18Å; A148-V150 VanDerWaalsContact O-N 3.14Å
151G95.7Very high97.2Very high37 Ų3754.8 Ų54.838%0.38132%0.316SS..EExtended strand (participates in β ladder)trans124.7-162.7178.800000112.9V147V147-G151 PolarHBondContact N-O 3.43Å; V147-G151 PolarHBondContact O-N 3.43Å
152T97.9Very high97.2Very high75 Ų7554 Ų5446%0.4631%0.309SS..EExtended strand (participates in β ladder)trans-98132.4-177.4-470000110.9T144 V145 E146T144-T152 HydrophobicContact CG2-CG2 3.52Å; V145-T152 WeakPolarHBondContact O-CA 3.39Å; E146-T152 VanDerWaalsContact CD-OG1 3.23Å; E146-T152 WeakPolarHBondContact OE1-CG2 3.34Å; E146-T152 PolarHBondContact OE1-OG1 2.81Å; E146-T152 PolarHBondContact OE2-OG1 3.14Å
153M98.5Very high97.2Very high2 Ų251 Ų511%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-112.3126.9167.2-179.7177.767.600109.7I45 A48 A49 I53 G54 L56 L133 V145 V155I45-M153 HydrophobicContact CG2-CE 4.13Å; A48-M153 HydrophobicContact CB-SD 4.34Å; A49-M153 HydrophobicContact CB-CE 3.41Å; A49-M153 VanDerWaalsContact CB-CE 3.41Å; A49-M153 HydrophobicContact CB-SD 4.09Å; I53-M153 HydrophobicContact CB-SD 4.34Å; I53-M153 WeakPolarHBondContact O-CB 3.45Å; I53-M153 WeakPolarHBondContact O-CG 3.4Å; G54-M153 WeakPolarHBondContact O-CA 3.21Å; L56-M153 HydrophobicContact CB-SD 4.36Å; L133-M153 HydrophobicContact CD2-CE 4.17Å; V145-M153 HydrophobicContact CB-CB 4.36Å; V145-M153 HydrophobicContact CB-CE 4.27Å; V145-M153 HydrophobicContact CG1-CE 4.5Å; V145-M153 HydrophobicContact CG2-CE 4.2Å; V145-M153 PolarHBondContact N-O 3.49Å; V145-M153 PolarHBondContact O-N 3.08Å; M153-V155 HydrophobicContact CE-CG2 3.57Å; M153-V155 HydrophobicContact CG-CG2 4.26Å; M153-V155 HydrophobicContact SD-CG2 4.32Å
154R98.5Very high97.2Very high104 Ų10450.7 Ų50.739%0.39229%0.29SS..EExtended strand (participates in β ladder)trans-87.6132.5166.5-177.4175.5169.8-165.8-12.3109.5G54 H55 L56 D142 H143 E156G54-R154 PolarHBondContact O-N 3.15Å; H55-R154 CarbonylContact C-O 3.51Å; H55-R154 VanDerWaalsContact CA-O 3.29Å; H55-R154 WeakPolarHBondContact CA-O 3.17Å; H55-R154 PolarHBondContact CD2-O 3.4Å; L56-R154 PolarHBondContact N-O 3.26Å; D142-R154 VanDerWaalsContact CG-NH2 3.3Å; D142-R154 IonicContact OD1-CZ 3.11Å; D142-R154 IonicContact OD1-NE 2.67Å; D142-R154 PolarHBondContact OD1-NE 3.19Å; D142-R154 IonicContact OD1-NH2 2.78Å; D142-R154 PolarHBondContact OD1-NH2 3.46Å; D142-R154 IonicContact OD2-CZ 3.94Å; D142-R154 IonicContact OD2-NH2 3.17Å; D142-R154 PolarHBondContact OD2-NH2 3.49Å; H143-R154 CarbonylContact O-C 3.59Å; H143-R154 WeakPolarHBondContact O-CA 3.45Å; R154-E156 IonicContact CZ-OE2 3.51Å; R154-E156 IonicContact NE-OE2 3.98Å; R154-E156 IonicContact NH2-OE2 2.84Å; R154-E156 PolarHBondContact NH2-OE2 3.04Å
155V98.5Very high97.2Very high0 Ų045.9 Ų45.90%026%0.26CS..EExtended strand (participates in β ladder)trans-117116171.3-171.80000108.7L56 I58 I135 H143 V145 M153L56-V155 HydrophobicContact CB-CG2 4.43Å; L56-V155 CarbonylContact O-C 3.57Å; L56-V155 VanDerWaalsContact O-CA 3.28Å; L56-V155 WeakPolarHBondContact O-CA 3.48Å; I58-V155 HydrophobicContact CD1-CG1 3.74Å; I58-V155 HydrophobicContact CG1-CG1 4.27Å; I135-V155 HydrophobicContact CD1-CG2 4.41Å; I135-V155 HydrophobicContact CG1-CG1 4.48Å; I135-V155 HydrophobicContact CG1-CG2 4.34Å; I135-V155 HydrophobicContact CG2-CG1 4.02Å; H143-V155 HydrophobicContact CB-CB 4.27Å; H143-V155 PolarHBondContact N-O 3.25Å; H143-V155 PolarHBondContact O-N 3.31Å; V145-V155 HydrophobicContact CG2-CG2 4.24Å; M153-V155 HydrophobicContact CE-CG2 3.57Å; M153-V155 HydrophobicContact CG-CG2 4.26Å; M153-V155 HydrophobicContact SD-CG2 4.32Å
156E98.6Very high97.1Very high37 Ų3750.9 Ų50.917%0.17328%0.281CS..EExtended strand (participates in β ladder)trans-108.6119.2-177.6-175.4178.3141.500109.7H55 L56 M57 I58 R154H55-E156 IonicContact CE1-OE2 2.86Å; H55-E156 PolarHBondContact CE1-OE2 2.8Å; H55-E156 WeakPolarHBondContact NE2-CB 3.38Å; H55-E156 IonicContact NE2-OE2 3.8Å; H55-E156 PolarHBondContact NE2-OE2 3.3Å; L56-E156 PolarHBondContact O-N 2.87Å; M57-E156 CarbonylContact C-O 3.43Å; M57-E156 WeakPolarHBondContact CA-O 3.34Å; M57-E156 HydrophobicContact CG-CB 4.3Å; I58-E156 PolarHBondContact N-O 3.06Å; R154-E156 IonicContact CZ-OE2 3.51Å; R154-E156 IonicContact NE-OE2 3.98Å; R154-E156 IonicContact NH2-OE2 2.84Å; R154-E156 PolarHBondContact NH2-OE2 3.04Å
157V98Very high97.1Very high3 Ų345.3 Ų45.32%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-95.2113.9171.3-175.70000108.4I58 K60 L137 S139 L140 G141I58-V157 CarbonylContact O-C 3.6Å; I58-V157 VanDerWaalsContact O-CA 3.28Å; I58-V157 WeakPolarHBondContact O-CA 3.46Å; K60-V157 HydrophobicContact CB-CG1 4.45Å; L137-V157 HydrophobicContact CD2-CG2 4.06Å; S139-V157 WeakPolarHBondContact O-CB 3.3Å; S139-V157 WeakPolarHBondContact O-CG1 3.28Å; L140-V157 VanDerWaalsContact CA-O 3.3Å; L140-V157 WeakPolarHBondContact CA-O 3.32Å; L140-V157 HydrophobicContact CD2-CG1 4.44Å; G141-V157 PolarHBondContact N-O 3.13Å; G141-V157 PolarHBondContact O-N 2.86Å
158F98.2Very high97Very high13 Ų1345.3 Ų45.36%0.05726%0.255CS..EExtended strand (participates in β ladder)trans-123.8162.5-170.877-76.6000113.3M57 I58 K60 M64 A72 Y76 L140 S160M57-F158 HydrophobicContact CB-CD1 4.14Å; M57-F158 HydrophobicContact CB-CE1 3.97Å; M57-F158 HydrophobicContact CE-CD1 4.33Å; M57-F158 HydrophobicContact CE-CG 4.49Å; I58-F158 WeakPolarHBondContact O-CD1 3.38Å; I58-F158 PolarHBondContact O-N 3.02Å; K60-F158 PolarHBondContact N-O 3.13Å; M64-F158 HydrophobicContact CE-CE1 4.25Å; M64-F158 HydrophobicContact CE-CZ 3.65Å; M64-F158 HydrophobicContact SD-CE1 4.26Å; M64-F158 HydrophobicContact SD-CZ 4.23Å; A72-F158 HydrophobicContact CB-CZ 3.98Å; Y76-F158 HydrophobicContact CE2-CD2 4.35Å; Y76-F158 AromaticContact CE2-CE2 3.99Å; Y76-F158 HydrophobicContact CE2-CE2 3.99Å; L140-F158 VanDerWaalsContact CD2-C 3.48Å; F158-S160 PolarHBondContact O-N 3.38Å
159D97.5Very high97Very high75 Ų7545 Ų4540%0.40124%0.239SC..  trans-81.182177.1179.617000111.2L140 V161 G162 D163L140-D159 HydrophobicContact CD1-CB 4.21Å; L140-D159 HydrophobicContact CD2-CB 4.38Å; D159-V161 VanDerWaalsContact C-N 3.28Å; D159-V161 PolarHBondContact O-N 3.18Å; D159-V161 PolarHBondContact OD1-N 3.08Å; D159-G162 PolarHBondContact OD1-N 2.9Å; D159-G162 WeakPolarHBondContact OD2-CA 3.45Å; D159-G162 PolarHBondContact OD2-N 3.07Å; D159-D163 PolarHBondContact O-N 3.1Å
160S97.4Very high96.9Very high6 Ų643.9 Ų43.94%0.04222%0.221CC..Hα-helixtrans-69-23.9178.8560000113.7G59 I63 F158 Y164 Y204G59-S160 WeakPolarHBondContact CA-OG 3.25Å; I63-S160 PolarHBondContact O-OG 3.4Å; F158-S160 PolarHBondContact O-N 3.38Å; S160-Y164 WeakPolarHBondContact O-CB 3.46Å; S160-Y164 PolarHBondContact O-N 3.43Å; S160-Y164 VanDerWaalsContact O-N 3.15Å; S160-Y204 VanDerWaalsContact CB-OH 3.25Å; S160-Y204 WeakPolarHBondContact CB-OH 3.4Å; S160-Y204 WeakPolarHBondContact O-CE1 3.43Å; S160-Y204 PolarHBondContact OG-OH 2.96Å
161V97.4Very high96.7Very high33 Ų3343.9 Ų43.920%0.222%0.219CC..Hα-helixtrans-73.7-49177.6174.20000109.9D159 D163 Y164 G165 P203 Y204D159-V161 VanDerWaalsContact C-N 3.28Å; D159-V161 PolarHBondContact O-N 3.18Å; D159-V161 PolarHBondContact OD1-N 3.08Å; V161-D163 VanDerWaalsContact C-N 3.33Å; V161-D163 PolarHBondContact O-N 3.5Å; V161-Y164 PolarHBondContact O-N 3.18Å; V161-G165 PolarHBondContact O-N 3.36Å; V161-P203 WeakPolarHBondContact CG1-O 3.24Å; V161-P203 HydrophobicContact CG2-CB 3.96Å; V161-Y204 HydrophobicContact CG2-CD1 4.32Å; V161-Y204 HydrophobicContact CG2-CD2 4.13Å; V161-Y204 HydrophobicContact CG2-CE1 4.13Å; V161-Y204 HydrophobicContact CG2-CE2 3.96Å; V161-Y204 HydrophobicContact CG2-CG 4.32Å
162G97.5Very high96.6Very high15 Ų1545.4 Ų45.416%0.15522%0.215CC..Hα-helixtrans-61-40.3176.500000112.8D159 G165 K166D159-G162 PolarHBondContact OD1-N 2.9Å; D159-G162 WeakPolarHBondContact OD2-CA 3.45Å; D159-G162 PolarHBondContact OD2-N 3.07Å; G162-G165 PolarHBondContact O-N 3.3Å; G162-K166 WeakPolarHBondContact O-CG 3.25Å; G162-K166 PolarHBondContact O-N 2.92Å
163D97.6Very high96.3Very high25 Ų2544.4 Ų44.413%0.13421%0.207CC..Hα-helixtrans-63.3-41.8175.1-80.8-7.3000112.8Y76 D159 V161 C167Y76-D163 PolarHBondContact OH-OD2 3.03Å; D159-D163 PolarHBondContact O-N 3.1Å; V161-D163 VanDerWaalsContact C-N 3.33Å; V161-D163 PolarHBondContact O-N 3.5Å; D163-C167 PolarHBondContact O-N 3.3Å
164Y98.1Very high96.2Very high47 Ų4744.5 Ų44.518%0.18421%0.208CC..Hα-helixtrans-65-42.9175.7-170.4-91.5000111.7P67 A68 L71 S160 V161 K166 C167 M168 Y204 V208P67-Y164 HydrophobicContact CB-CE2 4Å; A68-Y164 HydrophobicContact CB-CD2 4.13Å; L71-Y164 HydrophobicContact CD2-CD2 3.87Å; L71-Y164 HydrophobicContact CD2-CG 4.48Å; S160-Y164 WeakPolarHBondContact O-CB 3.46Å; S160-Y164 PolarHBondContact O-N 3.43Å; S160-Y164 VanDerWaalsContact O-N 3.15Å; V161-Y164 PolarHBondContact O-N 3.18Å; Y164-K166 PolarHBondContact O-N 2.94Å; Y164-C167 WeakPolarHBondContact O-CB 3.48Å; Y164-C167 PolarHBondContact O-N 2.96Å; Y164-C167 VanDerWaalsContact O-N 3.1Å; Y164-M168 HydrophobicContact CD1-CE 4.39Å; Y164-M168 HydrophobicContact CD1-CG 3.93Å; Y164-M168 HydrophobicContact CD2-CE 4.35Å; Y164-M168 HydrophobicContact CE1-CE 3.81Å; Y164-M168 HydrophobicContact CE1-CG 3.61Å; Y164-M168 HydrophobicContact CE1-SD 3.86Å; Y164-M168 HydrophobicContact CE2-CE 3.77Å; Y164-M168 VanDerWaalsContact CZ-CE 3.46Å; Y164-M168 WeakPolarHBondContact O-CG 3.39Å; Y164-M168 PolarHBondContact O-N 2.96Å; Y164-Y204 AromaticContact CD1-CD1 3.94Å; Y164-Y204 HydrophobicContact CD1-CD1 3.94Å; Y164-Y204 HydrophobicContact CD2-CD1 4.35Å; Y164-Y204 AromaticContact CG-CD1 3.74Å; Y164-Y204 HydrophobicContact CG-CD1 3.74Å; Y164-Y204 HydrophobicContact CG-CE1 4.25Å; Y164-V208 HydrophobicContact CD1-CG2 3.94Å; Y164-V208 HydrophobicContact CE1-CG2 4.1Å
165G97.4Very high95.9Very high1 Ų149.3 Ų49.31%0.0123%0.226CC..Hα-helixtrans-56.3-49.8175.300000112.7V161 G162 C167 M168 E169V161-G165 PolarHBondContact O-N 3.36Å; G162-G165 PolarHBondContact O-N 3.3Å; G165-C167 VanDerWaalsContact C-N 3.26Å; G165-C167 PolarHBondContact O-N 3.48Å; G165-M168 PolarHBondContact O-N 3.41Å; G165-M168 VanDerWaalsContact O-N 3.12Å; G165-E169 PolarHBondContact O-N 3.15Å
166K95.5Very high95.6Very high120 Ų12054.8 Ų54.852%0.52225%0.253SS..Hα-helixtrans-60.6-32.7174.5-68168-169.2163.50113G162 Y164 R170G162-K166 WeakPolarHBondContact O-CG 3.25Å; G162-K166 PolarHBondContact O-N 2.92Å; Y164-K166 PolarHBondContact O-N 2.94Å; K166-R170 WeakPolarHBondContact O-CG 3.37Å; K166-R170 PolarHBondContact O-N 3.07Å; K166-R170 PolarHBondContact O-NE 2.84Å
167C95.8Very high95.5Very high15 Ų1555.9 Ų55.910%0.10126%0.259CS..Hα-helixtrans-67.1-47.5173.8-172.80000111.1L71 D163 Y164 G165 E169 R170 L171L71-C167 HydrophobicContact CD1-CB 4.14Å; L71-C167 VanDerWaalsContact CD1-SG 3.57Å; L71-C167 HydrophobicContact CD2-CB 3.55Å; D163-C167 PolarHBondContact O-N 3.3Å; Y164-C167 WeakPolarHBondContact O-CB 3.48Å; Y164-C167 PolarHBondContact O-N 2.96Å; Y164-C167 VanDerWaalsContact O-N 3.1Å; G165-C167 VanDerWaalsContact C-N 3.26Å; G165-C167 PolarHBondContact O-N 3.48Å; C167-E169 VanDerWaalsContact C-N 3.32Å; C167-E169 PolarHBondContact O-N 3.23Å; C167-R170 PolarHBondContact O-N 3.07Å; C167-R170 VanDerWaalsContact O-N 3.08Å; C167-L171 WeakPolarHBondContact O-CG 3.29Å; C167-L171 PolarHBondContact O-N 3.33Å; C167-L171 VanDerWaalsContact O-N 3.13Å
168M96.2Very high95.4Very high24 Ų2460.3 Ų60.312%0.11828%0.276CS..Hα-helixtrans-60.3-41.4177.4-63-58.8109.400111.7Y164 G165 R170 L171 F172 F174 V208Y164-M168 HydrophobicContact CD1-CE 4.39Å; Y164-M168 HydrophobicContact CD1-CG 3.93Å; Y164-M168 HydrophobicContact CD2-CE 4.35Å; Y164-M168 HydrophobicContact CE1-CE 3.81Å; Y164-M168 HydrophobicContact CE1-CG 3.61Å; Y164-M168 HydrophobicContact CE1-SD 3.86Å; Y164-M168 HydrophobicContact CE2-CE 3.77Å; Y164-M168 VanDerWaalsContact CZ-CE 3.46Å; Y164-M168 WeakPolarHBondContact O-CG 3.39Å; Y164-M168 PolarHBondContact O-N 2.96Å; G165-M168 PolarHBondContact O-N 3.41Å; G165-M168 VanDerWaalsContact O-N 3.12Å; M168-R170 PolarHBondContact O-N 3.44Å; M168-L171 HydrophobicContact CE-CD1 3.86Å; M168-L171 PolarHBondContact O-N 2.76Å; M168-F172 HydrophobicContact CB-CD2 4.37Å; M168-F172 WeakPolarHBondContact O-CD2 3.31Å; M168-F172 PolarHBondContact O-N 2.91Å; M168-F172 HydrophobicContact SD-CD2 4.42Å; M168-F172 HydrophobicContact SD-CE2 3.86Å; M168-F174 HydrophobicContact CB-CE1 4.24Å; M168-F174 HydrophobicContact CB-CE2 4.4Å; M168-F174 HydrophobicContact CB-CZ 3.58Å; M168-V208 HydrophobicContact CB-CG1 4.47Å; M168-V208 HydrophobicContact CB-CG2 4.3Å; M168-V208 HydrophobicContact CG-CG1 4.45Å; M168-V208 HydrophobicContact CG-CG2 3.82Å
169E92.8Very high95.3Very high78 Ų7861.2 Ų61.236%0.36428%0.283SS..Hα-helixtrans-63-22.4176.9-172.5163.5-147.900113.7G165 C167 F172 F174 R178 H212G165-E169 PolarHBondContact O-N 3.15Å; C167-E169 VanDerWaalsContact C-N 3.32Å; C167-E169 PolarHBondContact O-N 3.23Å; E169-F172 CarbonylContact C-O 3.57Å; E169-F174 HydrophobicContact CB-CD2 3.62Å; E169-F174 HydrophobicContact CB-CE2 3.78Å; E169-F174 HydrophobicContact CB-CG 4.16Å; E169-F174 HydrophobicContact CB-CZ 4.46Å; E169-F174 HydrophobicContact CG-CB 4.16Å; E169-F174 HydrophobicContact CG-CD2 3.74Å; E169-F174 HydrophobicContact CG-CE2 4.41Å; E169-F174 HydrophobicContact CG-CG 4.05Å; E169-R178 IonicContact OE1-NH2 3.52Å; E169-H212 IonicContact OE2-CE1 3.41Å; E169-H212 PolarHBondContact OE2-CE1 3.45Å; E169-H212 IonicContact OE2-ND1 3.37Å; E169-H212 PolarHBondContact OE2-ND1 2.72Å
170R90.8Very high95.2Very high158 Ų15860.1 Ų60.160%0.59628%0.277SS*.Hα-helixtrans-83.4-32.4171.3-70.9-177.4-67.9165.2-1.8112.9K166 C167 M168K166-R170 WeakPolarHBondContact O-CG 3.37Å; K166-R170 PolarHBondContact O-N 3.07Å; K166-R170 PolarHBondContact O-NE 2.84Å; C167-R170 PolarHBondContact O-N 3.07Å; C167-R170 VanDerWaalsContact O-N 3.08Å; M168-R170 PolarHBondContact O-N 3.44Å
171L92.3Very high95.2Very high53 Ų5360.7 Ų60.728%0.27728%0.279SS..Hα-helixtrans-79.2-34.3-177.8-66.5177.2000112.4C167 M168 P293 Y294C167-L171 WeakPolarHBondContact O-CG 3.29Å; C167-L171 PolarHBondContact O-N 3.33Å; C167-L171 VanDerWaalsContact O-N 3.13Å; M168-L171 HydrophobicContact CE-CD1 3.86Å; M168-L171 PolarHBondContact O-N 2.76Å; L171-P293 WeakPolarHBondContact O-CD 3.28Å; L171-Y294 HydrophobicContact CD2-CD2 3.56Å; L171-Y294 HydrophobicContact CD2-CE2 4.29Å; L171-Y294 HydrophobicContact CD2-CG 3.77Å
172F93.5Very high95.1Very high70 Ų7062.4 Ų62.431%0.30729%0.292SS..SBendtrans-118.8152.6-177.4-57.8-89.5000110.6M168 E169 F174 L177 F292M168-F172 HydrophobicContact CB-CD2 4.37Å; M168-F172 WeakPolarHBondContact O-CD2 3.31Å; M168-F172 PolarHBondContact O-N 2.91Å; M168-F172 HydrophobicContact SD-CD2 4.42Å; M168-F172 HydrophobicContact SD-CE2 3.86Å; E169-F172 CarbonylContact C-O 3.57Å; F172-F174 HydrophobicContact CB-CD1 3.84Å; F172-F174 HydrophobicContact CB-CE1 3.72Å; F172-F174 HydrophobicContact CD2-CE1 4.37Å; F172-F174 HydrophobicContact CG-CE1 4.39Å; F172-F174 PolarHBondContact O-N 2.79Å; F172-F174 VanDerWaalsContact O-N 3.13Å; F172-L177 HydrophobicContact CB-CD1 4.27Å; F172-F292 AromaticContact CD1-CD1 3.48Å; F172-F292 HydrophobicContact CD1-CD1 3.48Å; F172-F292 VanDerWaalsContact CD1-CD1 3.48Å; F172-F292 AromaticContact CD1-CE1 3.56Å; F172-F292 HydrophobicContact CD1-CE1 3.56Å; F172-F292 AromaticContact CE1-CD1 3.54Å; F172-F292 HydrophobicContact CE1-CD1 3.54Å; F172-F292 AromaticContact CE1-CE1 3.37Å; F172-F292 HydrophobicContact CE1-CE1 3.37Å
173D93Very high95Very high53 Ų5361.9 Ų61.928%0.28329%0.287SS..  trans-84.787175.9-165-35.9000110.5W175 M176 L177 P293D173-W175 PolarHBondContact O-N 2.91Å; D173-W175 PolarHBondContact OD1-N 2.91Å; D173-M176 HydrophobicContact CB-CB 4.02Å; D173-M176 HydrophobicContact CB-CG 4.14Å; D173-M176 HydrophobicContact CB-SD 4.23Å; D173-M176 VanDerWaalsContact CG-CG 3.41Å; D173-M176 PolarHBondContact O-N 3Å; D173-M176 WeakPolarHBondContact OD1-CG 3.48Å; D173-M176 PolarHBondContact OD1-N 3.36Å; D173-M176 WeakPolarHBondContact OD2-CG 3.37Å; D173-L177 WeakPolarHBondContact O-CG 3.33Å; D173-L177 PolarHBondContact O-N 3.07Å; D173-L177 VanDerWaalsContact O-N 3.08Å; D173-P293 HydrophobicContact CB-CG 3.93Å
174F95.2Very high94.9Very high5 Ų564.8 Ų64.82%0.02231%0.309CS..Hα-helixtrans-65.6-27.5-178.1-78.813000112.8M168 E169 F172 M176 L177 R178 V208 H212 L213M168-F174 HydrophobicContact CB-CE1 4.24Å; M168-F174 HydrophobicContact CB-CE2 4.4Å; M168-F174 HydrophobicContact CB-CZ 3.58Å; E169-F174 HydrophobicContact CB-CD2 3.62Å; E169-F174 HydrophobicContact CB-CE2 3.78Å; E169-F174 HydrophobicContact CB-CG 4.16Å; E169-F174 HydrophobicContact CB-CZ 4.46Å; E169-F174 HydrophobicContact CG-CB 4.16Å; E169-F174 HydrophobicContact CG-CD2 3.74Å; E169-F174 HydrophobicContact CG-CE2 4.41Å; E169-F174 HydrophobicContact CG-CG 4.05Å; F172-F174 HydrophobicContact CB-CD1 3.84Å; F172-F174 HydrophobicContact CB-CE1 3.72Å; F172-F174 HydrophobicContact CD2-CE1 4.37Å; F172-F174 HydrophobicContact CG-CE1 4.39Å; F172-F174 PolarHBondContact O-N 2.79Å; F172-F174 VanDerWaalsContact O-N 3.13Å; F174-M176 VanDerWaalsContact C-N 3.33Å; F174-L177 HydrophobicContact CD1-CD1 4.18Å; F174-L177 PolarHBondContact O-N 3.49Å; F174-R178 WeakPolarHBondContact O-CG 3.42Å; F174-R178 PolarHBondContact O-N 3.49Å; F174-V208 HydrophobicContact CZ-CG1 4.03Å; F174-H212 HydrophobicContact CD2-CB 3.68Å; F174-H212 HydrophobicContact CE2-CB 3.42Å; F174-H212 VanDerWaalsContact CE2-CB 3.42Å; F174-H212 AromaticContact CE2-CG 3.9Å; F174-L213 HydrophobicContact CB-CD2 3.89Å; F174-L213 HydrophobicContact CD1-CD2 3.72Å; F174-L213 HydrophobicContact CD1-CG 4.37Å; F174-L213 HydrophobicContact CD2-CD2 4.04Å; F174-L213 HydrophobicContact CD2-CG 4.31Å; F174-L213 HydrophobicContact CE1-CD1 4.29Å; F174-L213 HydrophobicContact CE1-CD2 4.17Å; F174-L213 HydrophobicContact CE1-CG 4.36Å; F174-L213 HydrophobicContact CE2-CD2 4.49Å; F174-L213 HydrophobicContact CE2-CG 4.33Å; F174-L213 HydrophobicContact CG-CD2 3.62Å; F174-L213 HydrophobicContact CG-CG 4.32Å; F174-L213 HydrophobicContact CZ-CD1 4.41Å; F174-L213 HydrophobicContact CZ-CG 4.33Å
175W93.6Very high94.7Very high204 Ų20468.1 Ų68.177%0.77333%0.329SS*.Hα-helixtrans-66.3-38.5175-172.882.6000111.2D173 P179D173-W175 PolarHBondContact O-N 2.91Å; D173-W175 PolarHBondContact OD1-N 2.91Å; W175-P179 WeakPolarHBondContact O-CD 3.04Å
176M92Very high94.3Very high116 Ų11671.6 Ų71.657%0.57135%0.35SS*.Hα-helixtrans-72.6-27172.7-71.2-17369.100113.9D173 F174D173-M176 HydrophobicContact CB-CB 4.02Å; D173-M176 HydrophobicContact CB-CG 4.14Å; D173-M176 HydrophobicContact CB-SD 4.23Å; D173-M176 VanDerWaalsContact CG-CG 3.41Å; D173-M176 PolarHBondContact O-N 3Å; D173-M176 WeakPolarHBondContact OD1-CG 3.48Å; D173-M176 PolarHBondContact OD1-N 3.36Å; D173-M176 WeakPolarHBondContact OD2-CG 3.37Å; F174-M176 VanDerWaalsContact C-N 3.33Å
177L94.8Very high94.3Very high59 Ų5969.2 Ų69.231%0.30936%0.36SS..Hα-helixtrans-84.7-36.9-177.2-69.2173.8000113.8F172 D173 F174 P179 L180 F181 L213F172-L177 HydrophobicContact CB-CD1 4.27Å; D173-L177 WeakPolarHBondContact O-CG 3.33Å; D173-L177 PolarHBondContact O-N 3.07Å; D173-L177 VanDerWaalsContact O-N 3.08Å; F174-L177 HydrophobicContact CD1-CD1 4.18Å; F174-L177 PolarHBondContact O-N 3.49Å; L177-P179 VanDerWaalsContact C-CD 3.48Å; L177-P179 VanDerWaalsContact C-N 3.33Å; L177-L180 VanDerWaalsContact O-CB 3.26Å; L177-L180 WeakPolarHBondContact O-CB 3.33Å; L177-L180 PolarHBondContact O-N 2.82Å; L177-F181 HydrophobicContact CB-CE2 4.36Å; L177-F181 WeakPolarHBondContact O-CD2 3.49Å; L177-L213 HydrophobicContact CB-CD2 3.64Å; L177-L213 HydrophobicContact CD1-CD2 4.23Å
178R96.9Very high94.2Very high96 Ų9673.1 Ų73.136%0.36238%0.383SS..Hα-helixtrans-52.5-40.4178.8-77.2171.3-177150.710.9114E169 F174 L180 F181 S182 H212 L213E169-R178 IonicContact OE1-NH2 3.52Å; F174-R178 WeakPolarHBondContact O-CG 3.42Å; F174-R178 PolarHBondContact O-N 3.49Å; R178-L180 PolarHBondContact O-N 3.45Å; R178-F181 PolarHBondContact O-N 2.89Å; R178-S182 WeakPolarHBondContact O-CB 3.42Å; R178-S182 PolarHBondContact O-N 3.46Å; R178-S182 PolarHBondContact O-OG 2.76Å; R178-H212 VanDerWaalsContact CZ-O 3.25Å; R178-H212 PolarHBondContact NE-O 2.84Å; R178-H212 PolarHBondContact NH2-O 3.33Å; R178-L213 HydrophobicContact CG-CD2 4.41Å
179P96.7Very high94.2Very high33 Ų3374.2 Ų74.221%0.21439%0.392CS..Hα-helixtrans-59.8-30.5177.4-27.936.1000114.5W175 L177 S182 G183 S184 I185W175-P179 WeakPolarHBondContact O-CD 3.04Å; L177-P179 VanDerWaalsContact C-CD 3.48Å; L177-P179 VanDerWaalsContact C-N 3.33Å; P179-S182 VanDerWaalsContact CA-OG 3.3Å; P179-S182 WeakPolarHBondContact CA-OG 3.47Å; P179-S182 PolarHBondContact O-OG 3.24Å; P179-G183 CarbonylContact O-C 3.56Å; P179-G183 PolarHBondContact O-N 3.46Å; P179-S184 WeakPolarHBondContact CA-OG 3.17Å; P179-S184 WeakPolarHBondContact CB-OG 3.36Å; P179-S184 PolarHBondContact O-N 2.93Å; P179-S184 PolarHBondContact O-OG 3.03Å; P179-I185 HydrophobicContact CB-CB 4.45Å; P179-I185 HydrophobicContact CB-CD1 4.4Å; P179-I185 HydrophobicContact CB-CG1 4.07Å; P179-I185 HydrophobicContact CB-CG2 3.7Å
180L95.5Very high94.4Very high52 Ų5271.6 Ų71.627%0.27238%0.382SS..Hα-helixtrans-66.9-48.2177.1-172.569.8000111.3L177 R178 G183 I185 T186 V190L177-L180 VanDerWaalsContact O-CB 3.26Å; L177-L180 WeakPolarHBondContact O-CB 3.33Å; L177-L180 PolarHBondContact O-N 2.82Å; R178-L180 PolarHBondContact O-N 3.45Å; L180-G183 PolarHBondContact O-N 3.44Å; L180-I185 HydrophobicContact CB-CD1 4.36Å; L180-I185 HydrophobicContact CD1-CD1 4.19Å; L180-T186 HydrophobicContact CD1-CG2 4.29Å; L180-V190 HydrophobicContact CD1-CB 4.42Å; L180-V190 HydrophobicContact CD1-CG2 3.5Å; L180-V190 HydrophobicContact CD2-CG2 4.4Å; L180-V190 HydrophobicContact CG-CB 3.99Å; L180-V190 HydrophobicContact CG-CG2 3.61Å; L180-V190 PolarHBondContact O-N 2.88Å
181F96.6Very high94.6Very high17 Ų1767.1 Ų67.18%0.07537%0.365CS..Hα-helixtrans-77.2-24.5-178.5-59.8-63.1000113.3L177 R178 P189 V190 L192 L213 V215L177-F181 HydrophobicContact CB-CE2 4.36Å; L177-F181 WeakPolarHBondContact O-CD2 3.49Å; R178-F181 PolarHBondContact O-N 2.89Å; F181-P189 WeakPolarHBondContact O-CB 3.35Å; F181-V190 HydrophobicContact CD1-CB 4.48Å; F181-L192 HydrophobicContact CE1-CB 4.03Å; F181-L192 HydrophobicContact CE1-CD2 4.11Å; F181-L192 HydrophobicContact CZ-CD2 4.32Å; F181-L213 HydrophobicContact CD2-CB 4.09Å; F181-L213 HydrophobicContact CE2-CB 4.28Å; F181-L213 HydrophobicContact CE2-CD1 4.06Å; F181-V215 HydrophobicContact CB-CG2 4.27Å; F181-V215 HydrophobicContact CD1-CG2 3.7Å; F181-V215 HydrophobicContact CD2-CG2 4.08Å; F181-V215 HydrophobicContact CE1-CG2 4Å; F181-V215 HydrophobicContact CE2-CG2 4.35Å; F181-V215 HydrophobicContact CG-CG2 3.74Å; F181-V215 HydrophobicContact CZ-CG2 4.31Å
182S96.4Very high94.9Very high69 Ų6965 Ų6548%0.48335%0.353SS..Hα-helixtrans-81.6-15.6170.657.60000113.4R178 P179 S184R178-S182 WeakPolarHBondContact O-CB 3.42Å; R178-S182 PolarHBondContact O-N 3.46Å; R178-S182 PolarHBondContact O-OG 2.76Å; P179-S182 VanDerWaalsContact CA-OG 3.3Å; P179-S182 WeakPolarHBondContact CA-OG 3.47Å; P179-S182 PolarHBondContact O-OG 3.24Å; S182-S184 PolarHBondContact O-N 3.38Å; S182-S184 PolarHBondContact OG-OG 3.11Å
183G95.7Very high95Very high5 Ų561.6 Ų61.65%0.05234%0.339CS..THydrogen-bonded Turntrans75.58.5-174.800000114.5P179 L180 I185 T186 G187 T188P179-G183 CarbonylContact O-C 3.56Å; P179-G183 PolarHBondContact O-N 3.46Å; L180-G183 PolarHBondContact O-N 3.44Å; G183-I185 PolarHBondContact O-N 2.9Å; G183-T186 PolarHBondContact O-N 3.16Å; G183-G187 CarbonylContact O-C 3.56Å; G183-G187 VanDerWaalsContact O-CA 3.31Å; G183-G187 WeakPolarHBondContact O-CA 2.87Å; G183-G187 PolarHBondContact O-N 3.27Å; G183-T188 VanDerWaalsContact CA-C 3.41Å; G183-T188 WeakPolarHBondContact CA-O 3.36Å
184S95.4Very high95.2Very high86 Ų8659.1 Ų59.160%0.60133%0.325SS*.THydrogen-bonded Turntrans-68-20.4-176.951.40000113.7P179 S182P179-S184 WeakPolarHBondContact CA-OG 3.17Å; P179-S184 WeakPolarHBondContact CB-OG 3.36Å; P179-S184 PolarHBondContact O-N 2.93Å; P179-S184 PolarHBondContact O-OG 3.03Å; S182-S184 PolarHBondContact O-N 3.38Å; S182-S184 PolarHBondContact OG-OG 3.11Å
185I92.8Very high95.1Very high116 Ų11658.9 Ų58.960%0.59532%0.324SS*.THydrogen-bonded Turntrans-98.6-28.2172.754.2165.7000114P179 L180 G183P179-I185 HydrophobicContact CB-CB 4.45Å; P179-I185 HydrophobicContact CB-CD1 4.4Å; P179-I185 HydrophobicContact CB-CG1 4.07Å; P179-I185 HydrophobicContact CB-CG2 3.7Å; L180-I185 HydrophobicContact CB-CD1 4.36Å; L180-I185 HydrophobicContact CD1-CD1 4.19Å; G183-I185 PolarHBondContact O-N 2.9Å
186T89.1Confident94.9Very high74 Ų7449.1 Ų49.145%0.45429%0.287SS..THydrogen-bonded Turntrans-100.7-11.3-174.542.50000113.3L180 G183 T188L180-T186 HydrophobicContact CD1-CG2 4.29Å; G183-T186 PolarHBondContact O-N 3.16Å; T186-T188 PolarHBondContact O-N 3.13Å; T186-T188 PolarHBondContact OG1-O 3.14Å
187G94.8Very high94.5Very high70 Ų7044.3 Ų44.372%0.72226%0.264SS*.SBendtrans82.2-22.8-171.300000113.8G183G183-G187 CarbonylContact O-C 3.56Å; G183-G187 VanDerWaalsContact O-CA 3.31Å; G183-G187 WeakPolarHBondContact O-CA 2.87Å; G183-G187 PolarHBondContact O-N 3.27Å
188T95Very high94Very high98 Ų9843.3 Ų43.360%0.60126%0.259SS*.SBendtrans-134.8136.6175.152.50000110.7G183 T186 V190G183-T188 VanDerWaalsContact CA-C 3.41Å; G183-T188 WeakPolarHBondContact CA-O 3.36Å; T186-T188 PolarHBondContact O-N 3.13Å; T186-T188 PolarHBondContact OG1-O 3.14Å; T188-V190 PolarHBondContact O-N 3.26Å
189P96Very high93.4Very high46 Ų4638.8 Ų38.830%0.29924%0.242SC..  trans-53.2133.4175.1-29.937000113F181 R191 F216F181-P189 WeakPolarHBondContact O-CB 3.35Å; P189-R191 PolarHBondContact O-N 3.23Å; P189-F216 HydrophobicContact CB-CE2 3.75Å; P189-F216 HydrophobicContact CB-CZ 4.26Å; P189-F216 HydrophobicContact CG-CE2 4.14Å; P189-F216 HydrophobicContact CG-CZ 4.16Å
190V96.1Very high93Very high24 Ų2437.2 Ų37.215%0.14523%0.232CC..  trans-71.1123.4163.4173.70000108.8L180 F181 T188 D254 I255L180-V190 HydrophobicContact CD1-CB 4.42Å; L180-V190 HydrophobicContact CD1-CG2 3.5Å; L180-V190 HydrophobicContact CD2-CG2 4.4Å; L180-V190 HydrophobicContact CG-CB 3.99Å; L180-V190 HydrophobicContact CG-CG2 3.61Å; L180-V190 PolarHBondContact O-N 2.88Å; F181-V190 HydrophobicContact CD1-CB 4.48Å; T188-V190 PolarHBondContact O-N 3.26Å; V190-D254 WeakPolarHBondContact CA-OD2 3.24Å; V190-D254 HydrophobicContact CG1-CB 4.07Å; V190-I255 HydrophobicContact CG1-CD1 4.1Å; V190-I255 HydrophobicContact CG1-CG1 4.49Å
191R96.4Very high92.8Very high64 Ų6434.9 Ų34.924%0.24222%0.22CC..  trans-94.4112.7-175.9-64.2-63.7-64.4-88.62.3110.5P189 D219 V252 H253 D254 I255P189-R191 PolarHBondContact O-N 3.23Å; R191-D219 IonicContact CZ-OD1 3.48Å; R191-D219 IonicContact CZ-OD2 3.7Å; R191-D219 IonicContact NE-OD1 3.39Å; R191-D219 PolarHBondContact NE-OD1 3.45Å; R191-D219 IonicContact NE-OD2 2.84Å; R191-D219 PolarHBondContact NE-OD2 2.9Å; R191-D219 IonicContact NH2-OD1 2.72Å; R191-D219 PolarHBondContact NH2-OD1 3.15Å; R191-D219 IonicContact NH2-OD2 3.69Å; R191-V252 WeakPolarHBondContact CB-O 3.5Å; R191-V252 WeakPolarHBondContact CG-O 3.47Å; R191-H253 HydrophobicContact CB-CB 4.41Å; R191-D254 PolarHBondContact N-OD2 3.05Å; R191-D254 PolarHBondContact O-N 3.15Å; R191-I255 PolarHBondContact O-N 3.37Å
192L97.1Very high92.6Very high7 Ų734 Ų344%0.03722%0.216CC..EExtended strand (participates in β ladder)trans-107.9101.9-176.917666.1000110.7F181 V194 F209 V215 D219 I255 V257F181-L192 HydrophobicContact CE1-CB 4.03Å; F181-L192 HydrophobicContact CE1-CD2 4.11Å; F181-L192 HydrophobicContact CZ-CD2 4.32Å; L192-V194 HydrophobicContact CD2-CG2 3.86Å; L192-V194 HydrophobicContact CG-CG2 3.71Å; L192-V194 PolarHBondContact O-N 3.38Å; L192-F209 HydrophobicContact CD2-CD1 3.68Å; L192-F209 HydrophobicContact CD2-CE1 3.89Å; L192-F209 HydrophobicContact CD2-CG 4.08Å; L192-F209 HydrophobicContact CD2-CZ 4.45Å; L192-V215 HydrophobicContact CB-CG1 4.06Å; L192-V215 HydrophobicContact CB-CG2 4.49Å; L192-V215 HydrophobicContact CD2-CG2 4.14Å; L192-D219 WeakPolarHBondContact O-CB 3.43Å; L192-I255 CarbonylContact C-O 3.58Å; L192-I255 WeakPolarHBondContact CA-O 3.29Å; L192-I255 HydrophobicContact CD1-CB 3.77Å; L192-I255 HydrophobicContact CD1-CG2 3.65Å; L192-V257 HydrophobicContact CD1-CG2 3.8Å
193L97Very high92.6Very high0 Ų032.4 Ų32.40%020%0.204CC..EExtended strand (participates in β ladder)trans-76.2114.2173.5-17859.7000110.3D219 K221 Y243 L244 N247 H253 I255 G256 V257L193-D219 CarbonylContact C-O 3.57Å; L193-D219 WeakPolarHBondContact CA-O 3.03Å; L193-D219 WeakPolarHBondContact CD1-O 3.43Å; L193-K221 HydrophobicContact CD1-CG 3.62Å; L193-Y243 HydrophobicContact CD1-CE1 4.42Å; L193-Y243 HydrophobicContact CD2-CE1 4.16Å; L193-L244 HydrophobicContact CB-CD2 4.34Å; L193-L244 HydrophobicContact CD2-CD2 3.58Å; L193-L244 HydrophobicContact CG-CD2 3.68Å; L193-N247 HydrophobicContact CD2-CB 3.45Å; L193-N247 VanDerWaalsContact CD2-CB 3.45Å; L193-H253 HydrophobicContact CB-CB 4.08Å; L193-I255 PolarHBondContact N-O 3.07Å; L193-G256 CarbonylContact O-C 3.6Å; L193-G256 WeakPolarHBondContact O-CA 3.44Å; L193-V257 PolarHBondContact O-N 2.95Å
194V96.1Very high92.7Very high0 Ų032.5 Ų32.50%020%0.203CC..EExtended strand (participates in β ladder)trans-112.2116.8-179.9-171.20000110.3L192 A205 F209 D219 H220 K221 V257 I259L192-V194 HydrophobicContact CD2-CG2 3.86Å; L192-V194 HydrophobicContact CG-CG2 3.71Å; L192-V194 PolarHBondContact O-N 3.38Å; V194-A205 HydrophobicContact CG1-CB 4.04Å; V194-F209 HydrophobicContact CG1-CD2 4.19Å; V194-F209 HydrophobicContact CG1-CE2 4.33Å; V194-F209 HydrophobicContact CG2-CD2 3.91Å; V194-F209 HydrophobicContact CG2-CE2 4.35Å; V194-F209 HydrophobicContact CG2-CG 4.36Å; V194-D219 PolarHBondContact N-O 3.19Å; V194-H220 CarbonylContact O-C 3.51Å; V194-H220 WeakPolarHBondContact O-CA 3.26Å; V194-K221 PolarHBondContact O-N 3.38Å; V194-V257 CarbonylContact C-O 3.55Å; V194-V257 WeakPolarHBondContact CA-O 3.44Å; V194-I259 HydrophobicContact CG1-CD1 4.29Å
195D93.1Very high92.8Very high0 Ų028.7 Ų28.70%018%0.177CC..EExtended strand (participates in β ladder)trans-112117175.8172.531.5000111.3T197 K221 R222 S240 L244 V257 A258 I259D195-T197 PolarHBondContact OD1-N 3.42Å; D195-T197 VanDerWaalsContact OD1-N 3.07Å; D195-K221 WeakPolarHBondContact CA-O 3.2Å; D195-K221 HydrophobicContact CB-CB 4.42Å; D195-R222 VanDerWaalsContact CG-NH2 3.27Å; D195-R222 IonicContact OD1-CZ 2.73Å; D195-R222 IonicContact OD1-NE 3.25Å; D195-R222 PolarHBondContact OD1-NE 2.89Å; D195-R222 IonicContact OD1-NH2 3.54Å; D195-R222 PolarHBondContact OD1-NH2 2.95Å; D195-R222 IonicContact OD2-CZ 3.44Å; D195-R222 IonicContact OD2-NE 2.74Å; D195-R222 IonicContact OD2-NH2 3.49Å; D195-R222 PolarHBondContact OD2-NH2 3.3Å; D195-S240 WeakPolarHBondContact OD2-CB 3.46Å; D195-S240 PolarHBondContact OD2-OG 2.84Å; D195-L244 HydrophobicContact CB-CD2 4.34Å; D195-V257 PolarHBondContact N-O 3.29Å; D195-A258 CarbonylContact O-C 3.55Å; D195-A258 VanDerWaalsContact O-CA 3.27Å; D195-A258 WeakPolarHBondContact O-CA 3.31Å; D195-I259 PolarHBondContact O-N 3.11Å
196C89.4Confident93Very high0 Ų025.3 Ų25.30%016%0.157CC..  trans-104.712.4-177.6-63.60000113.9N198 G199 S201 G202 A205 K221 R222 I259C196-N198 PolarHBondContact O-N 2.89Å; C196-G199 PolarHBondContact O-N 2.91Å; C196-S201 PolarHBondContact O-OG 2.75Å; C196-G202 VanDerWaalsContact CB-CA 3.43Å; C196-A205 WeakPolarHBondContact SG-CB 3.37Å; C196-K221 PolarHBondContact N-O 3.35Å; C196-K221 VanDerWaalsContact N-O 3.1Å; C196-R222 CarbonylContact C-O 3.57Å; C196-I259 CarbonylContact C-O 3.43Å
197T84Confident93.4Very high15 Ų1521.9 Ų21.99%0.09214%0.137CC..THydrogen-bonded Turntrans5823.2171.372.20000115.6D195 G199 S240 C261D195-T197 PolarHBondContact OD1-N 3.42Å; D195-T197 VanDerWaalsContact OD1-N 3.07Å; T197-G199 PolarHBondContact O-N 2.88Å; T197-S240 WeakPolarHBondContact CG2-OG 3.26Å; T197-C261 PolarHBondContact OG1-SG 3.03Å
198N85.1Confident93.5Very high38 Ų3819.2 Ų19.220%0.20311%0.106CC..THydrogen-bonded Turntrans5826.9-171.9-65.4107.9000112.9H34 C196 R222 N224 P225 L226H34-N198 PolarHBondContact CE1-O 2.97Å; C196-N198 PolarHBondContact O-N 2.89Å; N198-R222 WeakPolarHBondContact CA-O 3.3Å; N198-R222 HydrophobicContact CB-CB 4.47Å; N198-R222 PolarHBondContact N-O 3.46Å; N198-R222 WeakPolarHBondContact OD1-CB 3.5Å; N198-R222 WeakPolarHBondContact OD1-CD 3.24Å; N198-R222 WeakPolarHBondContact OD1-CG 3.33Å; N198-N224 PolarHBondContact ND2-O 3.49Å; N198-P225 WeakPolarHBondContact O-CA 3.34Å; N198-L226 HydrophobicContact CB-CB 4.26Å; N198-L226 HydrophobicContact CB-CD1 3.61Å; N198-L226 HydrophobicContact CB-CG 3.64Å; N198-L226 PolarHBondContact O-N 2.7Å
199G83.3Confident93.7Very high0 Ų016.8 Ų16.80%09%0.087CC..SBendtrans-89.1173.3178.700000113.6C196 T197 S201 G202C196-G199 PolarHBondContact O-N 2.91Å; T197-G199 PolarHBondContact O-N 2.88Å; G199-S201 PolarHBondContact O-N 2.84Å; G199-S201 VanDerWaalsContact O-N 3.15Å; G199-G202 PolarHBondContact O-N 2.73Å; G199-G202 VanDerWaalsContact O-N 3.08Å
200A88.1Confident93.8Very high0 Ų017 Ų170%09%0.085CC..THydrogen-bonded Turntrans-60.5-18.8171.700000113.6M32 I63 T65 G202 P203 Y204 C261M32-A200 HydrophobicContact CB-CB 4.3Å; M32-A200 WeakPolarHBondContact O-CB 3.48Å; I63-A200 HydrophobicContact CG2-CB 3.79Å; T65-A200 HydrophobicContact CG2-CB 4.33Å; T65-A200 WeakPolarHBondContact CG2-O 3.27Å; A200-G202 PolarHBondContact O-N 2.83Å; A200-P203 WeakPolarHBondContact O-CD 3.48Å; A200-Y204 WeakPolarHBondContact O-CD2 3.33Å; A200-C261 PolarHBondContact N-O 3.43Å
201S91.1Very high93.8Very high3 Ų321.1 Ų21.12%0.02111%0.105CC..Hα-helixtrans-63.2-23.7172.850.40000113.9C196 G199 Y204 A205 D260 C261C196-S201 PolarHBondContact O-OG 2.75Å; G199-S201 PolarHBondContact O-N 2.84Å; G199-S201 VanDerWaalsContact O-N 3.15Å; S201-Y204 PolarHBondContact O-N 2.65Å; S201-A205 WeakPolarHBondContact O-CB 3.34Å; S201-A205 PolarHBondContact O-N 3.25Å; S201-D260 VanDerWaalsContact CB-O 3.32Å; S201-D260 WeakPolarHBondContact CB-O 3.42Å; S201-D260 PolarHBondContact OG-O 2.92Å; S201-C261 PolarHBondContact N-O 3.09Å
202G93.6Very high93.8Very high0 Ų019.8 Ų19.80%010%0.102CC..Hα-helixtrans-55.6-58.6-175.300000115.1C196 G199 A200 Y204 A205 Y206 Y223C196-G202 VanDerWaalsContact CB-CA 3.43Å; G199-G202 PolarHBondContact O-N 2.73Å; G199-G202 VanDerWaalsContact O-N 3.08Å; A200-G202 PolarHBondContact O-N 2.83Å; G202-Y204 PolarHBondContact O-N 3.06Å; G202-A205 PolarHBondContact O-N 3.27Å; G202-Y206 WeakPolarHBondContact O-CB 3.05Å; G202-Y206 PolarHBondContact O-N 3.33Å; G202-Y223 CarbonylContact C-O 3.57Å; G202-Y223 VanDerWaalsContact C-O 3.24Å; G202-Y223 WeakPolarHBondContact CA-O 3.45Å
203P95.7Very high93.8Very high35 Ų3519.8 Ų19.823%0.22710%0.102CC..Hα-helixtrans-59.4-33.3177.8-27.236.8000113.3V161 A200 G207 Y223 P225V161-P203 WeakPolarHBondContact CG1-O 3.24Å; V161-P203 HydrophobicContact CG2-CB 3.96Å; A200-P203 WeakPolarHBondContact O-CD 3.48Å; P203-G207 PolarHBondContact O-N 3.08Å; P203-Y223 WeakPolarHBondContact CD-O 3.35Å; P203-P225 HydrophobicContact CG-CG 3.83Å
204Y97.2Very high93.7Very high7 Ų721.9 Ų21.93%0.02712%0.124CC..Hα-helixtrans-72.2-44.5178.7-69.4-97.3000111.9I63 M64 T65 A68 S160 V161 Y164 A200 S201 G202 G207 V208I63-Y204 HydrophobicContact CG2-CE2 4.41Å; I63-Y204 PolarHBondContact O-OH 3.45Å; M64-Y204 VanDerWaalsContact CA-OH 3.31Å; M64-Y204 WeakPolarHBondContact CA-OH 3.5Å; T65-Y204 HydrophobicContact CG2-CD2 3.61Å; T65-Y204 HydrophobicContact CG2-CE2 3.95Å; T65-Y204 HydrophobicContact CG2-CG 4.02Å; A68-Y204 HydrophobicContact CB-CD1 4.08Å; A68-Y204 HydrophobicContact CB-CE1 3.28Å; S160-Y204 VanDerWaalsContact CB-OH 3.25Å; S160-Y204 WeakPolarHBondContact CB-OH 3.4Å; S160-Y204 WeakPolarHBondContact O-CE1 3.43Å; S160-Y204 PolarHBondContact OG-OH 2.96Å; V161-Y204 HydrophobicContact CG2-CD1 4.32Å; V161-Y204 HydrophobicContact CG2-CD2 4.13Å; V161-Y204 HydrophobicContact CG2-CE1 4.13Å; V161-Y204 HydrophobicContact CG2-CE2 3.96Å; V161-Y204 HydrophobicContact CG2-CG 4.32Å; Y164-Y204 AromaticContact CD1-CD1 3.94Å; Y164-Y204 HydrophobicContact CD1-CD1 3.94Å; Y164-Y204 HydrophobicContact CD2-CD1 4.35Å; Y164-Y204 AromaticContact CG-CD1 3.74Å; Y164-Y204 HydrophobicContact CG-CD1 3.74Å; Y164-Y204 HydrophobicContact CG-CE1 4.25Å; A200-Y204 WeakPolarHBondContact O-CD2 3.33Å; S201-Y204 PolarHBondContact O-N 2.65Å; G202-Y204 PolarHBondContact O-N 3.06Å; Y204-G207 PolarHBondContact O-N 3.48Å; Y204-V208 WeakPolarHBondContact O-CB 3.39Å; Y204-V208 WeakPolarHBondContact O-CG2 3.47Å; Y204-V208 PolarHBondContact O-N 3.04Å
205A96.9Very high93.8Very high6 Ų622 Ų225%0.0512%0.124CC..Hα-helixtrans-64.6-43.3176.600000110.7V194 C196 S201 G202 V208 F209 I259V194-A205 HydrophobicContact CG1-CB 4.04Å; C196-A205 WeakPolarHBondContact SG-CB 3.37Å; S201-A205 WeakPolarHBondContact O-CB 3.34Å; S201-A205 PolarHBondContact O-N 3.25Å; G202-A205 PolarHBondContact O-N 3.27Å; A205-V208 PolarHBondContact O-N 3.18Å; A205-F209 HydrophobicContact CB-CD2 4.12Å; A205-F209 HydrophobicContact CB-CE2 4.35Å; A205-F209 WeakPolarHBondContact O-CB 3.27Å; A205-F209 VanDerWaalsContact O-CD2 3.23Å; A205-F209 WeakPolarHBondContact O-CD2 3.48Å; A205-F209 PolarHBondContact O-N 3.12Å; A205-I259 HydrophobicContact CB-CD1 3.88Å
206Y97.8Very high94Very high44 Ų4425.4 Ų25.417%0.17314%0.139CC..Hα-helixtrans-60.1-49.2174.5-165.6-86.9000111.2G202 V208 H210 D211 T217 H220 Y223G202-Y206 WeakPolarHBondContact O-CB 3.05Å; G202-Y206 PolarHBondContact O-N 3.33Å; Y206-V208 VanDerWaalsContact C-N 3.32Å; Y206-V208 PolarHBondContact O-N 3.26Å; Y206-H210 HydrophobicContact CD1-CB 4.03Å; Y206-H210 HydrophobicContact CD2-CB 4.19Å; Y206-H210 HydrophobicContact CE1-CB 3.88Å; Y206-H210 AromaticContact CE1-CD2 3.24Å; Y206-H210 WeakPolarHBondContact CE1-CD2 3.37Å; Y206-H210 AromaticContact CE1-CG 3.76Å; Y206-H210 HydrophobicContact CE2-CB 4.04Å; Y206-H210 HydrophobicContact CG-CB 4.18Å; Y206-H210 AromaticContact CZ-CD2 3.27Å; Y206-H210 AromaticContact CZ-CG 3.55Å; Y206-H210 AromaticContact CZ-NE2 3.87Å; Y206-H210 WeakPolarHBondContact O-CA 3.32Å; Y206-H210 WeakPolarHBondContact O-CB 3.16Å; Y206-H210 PolarHBondContact O-N 2.94Å; Y206-H210 PolarHBondContact OH-CD2 3.28Å; Y206-H210 PolarHBondContact OH-NE2 3.42Å; Y206-D211 PolarHBondContact O-N 3.02Å; Y206-T217 HydrophobicContact CE2-CG2 4.07Å; Y206-T217 PolarHBondContact OH-OG1 2.95Å; Y206-H220 HydrophobicContact CD2-CB 4.14Å; Y206-H220 AromaticContact CD2-CD2 3.8Å; Y206-H220 AromaticContact CD2-CG 3.85Å; Y206-H220 HydrophobicContact CE2-CB 4.49Å; Y206-Y223 AromaticContact CD2-CD2 3.64Å; Y206-Y223 HydrophobicContact CD2-CD2 3.64Å; Y206-Y223 AromaticContact CD2-CE2 3.65Å; Y206-Y223 HydrophobicContact CD2-CE2 3.65Å; Y206-Y223 HydrophobicContact CD2-CG 4.1Å; Y206-Y223 HydrophobicContact CE2-CD2 4.31Å; Y206-Y223 AromaticContact CE2-CE2 3.85Å; Y206-Y223 HydrophobicContact CE2-CE2 3.85Å; Y206-Y223 AromaticContact CE2-CZ 3.99Å; Y206-Y223 HydrophobicContact CG-CD2 4.11Å; Y206-Y223 HydrophobicContact CG-CE2 4.29Å
207G97.5Very high94.4Very high3 Ų327.9 Ų27.93%0.03116%0.155CC..Iπ-helixtrans-56-46176.400000112.6P203 Y204 D211 H212P203-G207 PolarHBondContact O-N 3.08Å; Y204-G207 PolarHBondContact O-N 3.48Å; G207-D211 WeakPolarHBondContact CA-OD2 3.15Å; G207-D211 WeakPolarHBondContact O-CB 3.38Å; G207-D211 PolarHBondContact O-N 3.05Å; G207-H212 PolarHBondContact O-CD2 3.13Å; G207-H212 VanDerWaalsContact O-CD2 3.26Å; G207-H212 PolarHBondContact O-N 2.89Å; G207-H212 VanDerWaalsContact O-N 3.09Å
208V97.8Very high95Very high14 Ų1432.2 Ų32.29%0.08517%0.174CC..Iπ-helixtrans-71.5-52.9-179.1171.60000112.5Y164 M168 F174 Y204 A205 Y206 H212 L213Y164-V208 HydrophobicContact CD1-CG2 3.94Å; Y164-V208 HydrophobicContact CE1-CG2 4.1Å; M168-V208 HydrophobicContact CB-CG1 4.47Å; M168-V208 HydrophobicContact CB-CG2 4.3Å; M168-V208 HydrophobicContact CG-CG1 4.45Å; M168-V208 HydrophobicContact CG-CG2 3.82Å; F174-V208 HydrophobicContact CZ-CG1 4.03Å; Y204-V208 WeakPolarHBondContact O-CB 3.39Å; Y204-V208 WeakPolarHBondContact O-CG2 3.47Å; Y204-V208 PolarHBondContact O-N 3.04Å; A205-V208 PolarHBondContact O-N 3.18Å; Y206-V208 VanDerWaalsContact C-N 3.32Å; Y206-V208 PolarHBondContact O-N 3.26Å; V208-H212 WeakPolarHBondContact O-CB 3.36Å; V208-L213 HydrophobicContact CG1-CD1 4.49Å; V208-L213 WeakPolarHBondContact O-CG 3.3Å; V208-L213 PolarHBondContact O-N 2.84Å
209F97.9Very high95.6Very high46 Ų4630.4 Ų30.420%0.20216%0.164CC..Iπ-helixtrans-81.6-43.4-171.4-65.8-59000112.1L192 V194 A205 L213 G214 V215 I259L192-F209 HydrophobicContact CD2-CD1 3.68Å; L192-F209 HydrophobicContact CD2-CE1 3.89Å; L192-F209 HydrophobicContact CD2-CG 4.08Å; L192-F209 HydrophobicContact CD2-CZ 4.45Å; V194-F209 HydrophobicContact CG1-CD2 4.19Å; V194-F209 HydrophobicContact CG1-CE2 4.33Å; V194-F209 HydrophobicContact CG2-CD2 3.91Å; V194-F209 HydrophobicContact CG2-CE2 4.35Å; V194-F209 HydrophobicContact CG2-CG 4.36Å; A205-F209 HydrophobicContact CB-CD2 4.12Å; A205-F209 HydrophobicContact CB-CE2 4.35Å; A205-F209 WeakPolarHBondContact O-CB 3.27Å; A205-F209 VanDerWaalsContact O-CD2 3.23Å; A205-F209 WeakPolarHBondContact O-CD2 3.48Å; A205-F209 PolarHBondContact O-N 3.12Å; F209-L213 HydrophobicContact CD1-CD1 3.95Å; F209-L213 HydrophobicContact CE1-CD1 4.46Å; F209-L213 CarbonylContact O-C 3.54Å; F209-L213 VanDerWaalsContact O-CB 3.3Å; F209-L213 WeakPolarHBondContact O-CB 3.29Å; F209-L213 PolarHBondContact O-N 3.26Å; F209-G214 PolarHBondContact O-N 2.85Å; F209-G214 VanDerWaalsContact O-N 3.11Å; F209-V215 HydrophobicContact CB-CB 4.01Å; F209-V215 HydrophobicContact CB-CG2 3.94Å; F209-V215 VanDerWaalsContact O-CB 3.24Å; F209-V215 WeakPolarHBondContact O-CB 3.43Å; F209-V215 WeakPolarHBondContact O-CG2 3.32Å; F209-V215 PolarHBondContact O-N 3.49Å; F209-I259 HydrophobicContact CE2-CD1 4.24Å
210H97.8Very high96.2Very high52 Ų5230.7 Ų30.724%0.24117%0.166CC..Iπ-helixtrans-80.9-66.5177.2-17772.1000111.7Y206 H212 G214 V215 T217Y206-H210 HydrophobicContact CD1-CB 4.03Å; Y206-H210 HydrophobicContact CD2-CB 4.19Å; Y206-H210 HydrophobicContact CE1-CB 3.88Å; Y206-H210 AromaticContact CE1-CD2 3.24Å; Y206-H210 WeakPolarHBondContact CE1-CD2 3.37Å; Y206-H210 AromaticContact CE1-CG 3.76Å; Y206-H210 HydrophobicContact CE2-CB 4.04Å; Y206-H210 HydrophobicContact CG-CB 4.18Å; Y206-H210 AromaticContact CZ-CD2 3.27Å; Y206-H210 AromaticContact CZ-CG 3.55Å; Y206-H210 AromaticContact CZ-NE2 3.87Å; Y206-H210 WeakPolarHBondContact O-CA 3.32Å; Y206-H210 WeakPolarHBondContact O-CB 3.16Å; Y206-H210 PolarHBondContact O-N 2.94Å; Y206-H210 PolarHBondContact OH-CD2 3.28Å; Y206-H210 PolarHBondContact OH-NE2 3.42Å; H210-H212 VanDerWaalsContact C-N 3.34Å; H210-H212 PolarHBondContact O-N 3.23Å; H210-G214 WeakPolarHBondContact O-CA 3.44Å; H210-G214 PolarHBondContact O-N 3.23Å; H210-V215 PolarHBondContact ND1-O 3.25Å; H210-T217 PolarHBondContact CE1-OG1 2.96Å; H210-T217 PolarHBondContact ND1-OG1 3.1Å
211D96.8Very high96.5Very high109 Ų10933.8 Ų33.858%0.58318%0.179SC*.Iπ-helixtrans-63.9-40.1-168.4-57.7-27.9000111.9Y206 G207Y206-D211 PolarHBondContact O-N 3.02Å; G207-D211 WeakPolarHBondContact CA-OD2 3.15Å; G207-D211 WeakPolarHBondContact O-CB 3.38Å; G207-D211 PolarHBondContact O-N 3.05Å
212H96.1Very high96.4Very high36 Ų3637 Ų3717%0.16719%0.191CC..Iπ-helixtrans-93.2-34.4-177.8-79-93.2000114.9E169 F174 R178 G207 V208 H210E169-H212 IonicContact OE2-CE1 3.41Å; E169-H212 PolarHBondContact OE2-CE1 3.45Å; E169-H212 IonicContact OE2-ND1 3.37Å; E169-H212 PolarHBondContact OE2-ND1 2.72Å; F174-H212 HydrophobicContact CD2-CB 3.68Å; F174-H212 HydrophobicContact CE2-CB 3.42Å; F174-H212 VanDerWaalsContact CE2-CB 3.42Å; F174-H212 AromaticContact CE2-CG 3.9Å; R178-H212 VanDerWaalsContact CZ-O 3.25Å; R178-H212 PolarHBondContact NE-O 2.84Å; R178-H212 PolarHBondContact NH2-O 3.33Å; G207-H212 PolarHBondContact O-CD2 3.13Å; G207-H212 VanDerWaalsContact O-CD2 3.26Å; G207-H212 PolarHBondContact O-N 2.89Å; G207-H212 VanDerWaalsContact O-N 3.09Å; V208-H212 WeakPolarHBondContact O-CB 3.36Å; H210-H212 VanDerWaalsContact C-N 3.34Å; H210-H212 PolarHBondContact O-N 3.23Å
213L96.9Very high96.3Very high7 Ų739.7 Ų39.74%0.03720%0.201CC..THydrogen-bonded Turntrans-106.5-13.7-174.2-70.3172.8000114.5F174 L177 R178 F181 V208 F209F174-L213 HydrophobicContact CB-CD2 3.89Å; F174-L213 HydrophobicContact CD1-CD2 3.72Å; F174-L213 HydrophobicContact CD1-CG 4.37Å; F174-L213 HydrophobicContact CD2-CD2 4.04Å; F174-L213 HydrophobicContact CD2-CG 4.31Å; F174-L213 HydrophobicContact CE1-CD1 4.29Å; F174-L213 HydrophobicContact CE1-CD2 4.17Å; F174-L213 HydrophobicContact CE1-CG 4.36Å; F174-L213 HydrophobicContact CE2-CD2 4.49Å; F174-L213 HydrophobicContact CE2-CG 4.33Å; F174-L213 HydrophobicContact CG-CD2 3.62Å; F174-L213 HydrophobicContact CG-CG 4.32Å; F174-L213 HydrophobicContact CZ-CD1 4.41Å; F174-L213 HydrophobicContact CZ-CG 4.33Å; L177-L213 HydrophobicContact CB-CD2 3.64Å; L177-L213 HydrophobicContact CD1-CD2 4.23Å; R178-L213 HydrophobicContact CG-CD2 4.41Å; F181-L213 HydrophobicContact CD2-CB 4.09Å; F181-L213 HydrophobicContact CE2-CB 4.28Å; F181-L213 HydrophobicContact CE2-CD1 4.06Å; V208-L213 HydrophobicContact CG1-CD1 4.49Å; V208-L213 WeakPolarHBondContact O-CG 3.3Å; V208-L213 PolarHBondContact O-N 2.84Å; F209-L213 HydrophobicContact CD1-CD1 3.95Å; F209-L213 HydrophobicContact CE1-CD1 4.46Å; F209-L213 CarbonylContact O-C 3.54Å; F209-L213 VanDerWaalsContact O-CB 3.3Å; F209-L213 WeakPolarHBondContact O-CB 3.29Å; F209-L213 PolarHBondContact O-N 3.26Å
214G96.4Very high95.9Very high45 Ų4542.8 Ų42.846%0.46422%0.216SC..  trans78.920.5178.800000114.7F209 H210F209-G214 PolarHBondContact O-N 2.85Å; F209-G214 VanDerWaalsContact O-N 3.11Å; H210-G214 WeakPolarHBondContact O-CA 3.44Å; H210-G214 PolarHBondContact O-N 3.23Å
215V97.8Very high95.4Very high2 Ų243.4 Ų43.41%0.01222%0.221CC..  trans-64.3137.8170.8177.60000109.3F181 L192 F209 H210 D219F181-V215 HydrophobicContact CB-CG2 4.27Å; F181-V215 HydrophobicContact CD1-CG2 3.7Å; F181-V215 HydrophobicContact CD2-CG2 4.08Å; F181-V215 HydrophobicContact CE1-CG2 4Å; F181-V215 HydrophobicContact CE2-CG2 4.35Å; F181-V215 HydrophobicContact CG-CG2 3.74Å; F181-V215 HydrophobicContact CZ-CG2 4.31Å; L192-V215 HydrophobicContact CB-CG1 4.06Å; L192-V215 HydrophobicContact CB-CG2 4.49Å; L192-V215 HydrophobicContact CD2-CG2 4.14Å; F209-V215 HydrophobicContact CB-CB 4.01Å; F209-V215 HydrophobicContact CB-CG2 3.94Å; F209-V215 VanDerWaalsContact O-CB 3.24Å; F209-V215 WeakPolarHBondContact O-CB 3.43Å; F209-V215 WeakPolarHBondContact O-CG2 3.32Å; F209-V215 PolarHBondContact O-N 3.49Å; H210-V215 PolarHBondContact ND1-O 3.25Å; V215-D219 HydrophobicContact CG1-CB 4.41Å
216F97.6Very high94.3Very high71 Ų7147.3 Ų47.331%0.31124%0.24SC..  trans-61.8140-174.1-64.4-73.9000113.2P189 E218 D219 H220P189-F216 HydrophobicContact CB-CE2 3.75Å; P189-F216 HydrophobicContact CB-CZ 4.26Å; P189-F216 HydrophobicContact CG-CE2 4.14Å; P189-F216 HydrophobicContact CG-CZ 4.16Å; F216-E218 VanDerWaalsContact C-N 3.27Å; F216-E218 HydrophobicContact CB-CG 4.12Å; F216-E218 PolarHBondContact O-N 3.33Å; F216-D219 PolarHBondContact O-N 2.99Å; F216-D219 VanDerWaalsContact O-N 3.11Å; F216-H220 PolarHBondContact O-CE1 3.23Å; F216-H220 PolarHBondContact O-ND1 3.41Å
217T97.6Very high92.4Very high53 Ų5349.6 Ų49.633%0.32525%0.254SS..G310 helixtrans-58.8-39.8177.9-59.40000111.3Y206 H210 D219 H220Y206-T217 HydrophobicContact CE2-CG2 4.07Å; Y206-T217 PolarHBondContact OH-OG1 2.95Å; H210-T217 PolarHBondContact CE1-OG1 2.96Å; H210-T217 PolarHBondContact ND1-OG1 3.1Å; T217-D219 PolarHBondContact O-N 2.84Å; T217-H220 WeakPolarHBondContact O-CB 3.33Å; T217-H220 PolarHBondContact O-N 3.45Å
218E96.6Very high90Very high105 Ų10558.5 Ų58.549%0.49129%0.288SS..G310 helixtrans-63-23.1179.260.9-95.5-143.100113.8F216 H220 K221F216-E218 VanDerWaalsContact C-N 3.27Å; F216-E218 HydrophobicContact CB-CG 4.12Å; F216-E218 PolarHBondContact O-N 3.33Å; E218-H220 VanDerWaalsContact C-N 3.25Å; E218-H220 PolarHBondContact O-N 3.23Å; E218-K221 WeakPolarHBondContact O-CE 3.45Å; E218-K221 PolarHBondContact O-NZ 3.24Å
219D97.1Very high87.3Confident1 Ų159.7 Ų59.71%0.00530%0.3CS..G310 helixtrans-83.3-3.7178.4-61.6-12.2000111.8R191 L192 L193 V194 V215 F216 T217 H253R191-D219 IonicContact CZ-OD1 3.48Å; R191-D219 IonicContact CZ-OD2 3.7Å; R191-D219 IonicContact NE-OD1 3.39Å; R191-D219 PolarHBondContact NE-OD1 3.45Å; R191-D219 IonicContact NE-OD2 2.84Å; R191-D219 PolarHBondContact NE-OD2 2.9Å; R191-D219 IonicContact NH2-OD1 2.72Å; R191-D219 PolarHBondContact NH2-OD1 3.15Å; R191-D219 IonicContact NH2-OD2 3.69Å; L192-D219 WeakPolarHBondContact O-CB 3.43Å; L193-D219 CarbonylContact C-O 3.57Å; L193-D219 WeakPolarHBondContact CA-O 3.03Å; L193-D219 WeakPolarHBondContact CD1-O 3.43Å; V194-D219 PolarHBondContact N-O 3.19Å; V215-D219 HydrophobicContact CG1-CB 4.41Å; F216-D219 PolarHBondContact O-N 2.99Å; F216-D219 VanDerWaalsContact O-N 3.11Å; T217-D219 PolarHBondContact O-N 2.84Å; D219-H253 IonicContact OD1-CD2 3.66Å; D219-H253 IonicContact OD1-NE2 3.33Å; D219-H253 PolarHBondContact OD1-NE2 2.92Å
220H96.7Very high84.3Confident6 Ų664.2 Ų64.23%0.02833%0.326CS..EExtended strand (participates in β ladder)trans-95123.3173-64.473.4000110.9V194 Y206 F216 T217 E218 Y223V194-H220 CarbonylContact O-C 3.51Å; V194-H220 WeakPolarHBondContact O-CA 3.26Å; Y206-H220 HydrophobicContact CD2-CB 4.14Å; Y206-H220 AromaticContact CD2-CD2 3.8Å; Y206-H220 AromaticContact CD2-CG 3.85Å; Y206-H220 HydrophobicContact CE2-CB 4.49Å; F216-H220 PolarHBondContact O-CE1 3.23Å; F216-H220 PolarHBondContact O-ND1 3.41Å; T217-H220 WeakPolarHBondContact O-CB 3.33Å; T217-H220 PolarHBondContact O-N 3.45Å; E218-H220 VanDerWaalsContact C-N 3.25Å; E218-H220 PolarHBondContact O-N 3.23Å; H220-Y223 HydrophobicContact CB-CD1 3.53Å; H220-Y223 HydrophobicContact CB-CE1 3.98Å; H220-Y223 HydrophobicContact CB-CG 4.09Å; H220-Y223 WeakPolarHBondContact O-CD1 3.19Å
221K93.1Very high81.2Confident65 Ų6565.3 Ų65.328%0.28333%0.334SS..EExtended strand (participates in β ladder)trans-118.5139.7-179.5-56.7-59.9-175.5-156.10110.2L193 V194 D195 C196 E218 Y223 Y243L193-K221 HydrophobicContact CD1-CG 3.62Å; V194-K221 PolarHBondContact O-N 3.38Å; D195-K221 WeakPolarHBondContact CA-O 3.2Å; D195-K221 HydrophobicContact CB-CB 4.42Å; C196-K221 PolarHBondContact N-O 3.35Å; C196-K221 VanDerWaalsContact N-O 3.1Å; E218-K221 WeakPolarHBondContact O-CE 3.45Å; E218-K221 PolarHBondContact O-NZ 3.24Å; K221-Y223 PolarHBondContact O-N 3.3Å; K221-Y223 VanDerWaalsContact O-N 3.09Å; K221-Y243 HydrophobicContact CB-CE1 4.22Å; K221-Y243 WeakPolarHBondContact CD-OH 3.32Å; K221-Y243 VanDerWaalsContact CE-OH 3.28Å; K221-Y243 WeakPolarHBondContact CE-OH 3.41Å; K221-Y243 HydrophobicContact CG-CE1 3.88Å; K221-Y243 WeakPolarHBondContact CG-OH 3.4Å
222R88.8Confident78.4Confident70 Ų7063.8 Ų63.826%0.26433%0.326SS..SBendtrans50.240.3175.7-59.8-173.9-78.6-151.7-10.1112.2D195 C196 N198 S240D195-R222 VanDerWaalsContact CG-NH2 3.27Å; D195-R222 IonicContact OD1-CZ 2.73Å; D195-R222 IonicContact OD1-NE 3.25Å; D195-R222 PolarHBondContact OD1-NE 2.89Å; D195-R222 IonicContact OD1-NH2 3.54Å; D195-R222 PolarHBondContact OD1-NH2 2.95Å; D195-R222 IonicContact OD2-CZ 3.44Å; D195-R222 IonicContact OD2-NE 2.74Å; D195-R222 IonicContact OD2-NH2 3.49Å; D195-R222 PolarHBondContact OD2-NH2 3.3Å; C196-R222 CarbonylContact C-O 3.57Å; N198-R222 WeakPolarHBondContact CA-O 3.3Å; N198-R222 HydrophobicContact CB-CB 4.47Å; N198-R222 PolarHBondContact N-O 3.46Å; N198-R222 WeakPolarHBondContact OD1-CB 3.5Å; N198-R222 WeakPolarHBondContact OD1-CD 3.24Å; N198-R222 WeakPolarHBondContact OD1-CG 3.33Å; R222-S240 PolarHBondContact NH2-OG 2.82Å
223Y91.8Very high75.3Confident57 Ų5766.8 Ų66.822%0.22435%0.351CS..  trans-92.2-5-177.268.1-89.5000113.5G202 P203 Y206 H220 K221G202-Y223 CarbonylContact C-O 3.57Å; G202-Y223 VanDerWaalsContact C-O 3.24Å; G202-Y223 WeakPolarHBondContact CA-O 3.45Å; P203-Y223 WeakPolarHBondContact CD-O 3.35Å; Y206-Y223 AromaticContact CD2-CD2 3.64Å; Y206-Y223 HydrophobicContact CD2-CD2 3.64Å; Y206-Y223 AromaticContact CD2-CE2 3.65Å; Y206-Y223 HydrophobicContact CD2-CE2 3.65Å; Y206-Y223 HydrophobicContact CD2-CG 4.1Å; Y206-Y223 HydrophobicContact CE2-CD2 4.31Å; Y206-Y223 AromaticContact CE2-CE2 3.85Å; Y206-Y223 HydrophobicContact CE2-CE2 3.85Å; Y206-Y223 AromaticContact CE2-CZ 3.99Å; Y206-Y223 HydrophobicContact CG-CD2 4.11Å; Y206-Y223 HydrophobicContact CG-CE2 4.29Å; H220-Y223 HydrophobicContact CB-CD1 3.53Å; H220-Y223 HydrophobicContact CB-CE1 3.98Å; H220-Y223 HydrophobicContact CB-CG 4.09Å; H220-Y223 WeakPolarHBondContact O-CD1 3.19Å; K221-Y223 PolarHBondContact O-N 3.3Å; K221-Y223 VanDerWaalsContact O-N 3.09Å
224N88.5Confident72.2Confident99 Ų9971.6 Ų71.653%0.52938%0.38SS..SBendtrans-92.6122.3170.6-67.2-44.1000109.6N198 L226N198-N224 PolarHBondContact ND2-O 3.49Å; N224-L226 PolarHBondContact O-N 3.44Å
225P85Confident69.2Low20 Ų2072.2 Ų72.213%0.1339%0.387CS..  trans-58.7126.1174.1-26.738.2000110.7I63 N198 P203 I227I63-P225 HydrophobicContact CD1-CB 4.35Å; I63-P225 HydrophobicContact CD1-CG 4.06Å; I63-P225 HydrophobicContact CG2-CG 4.49Å; N198-P225 WeakPolarHBondContact O-CA 3.34Å; P203-P225 HydrophobicContact CG-CG 3.83Å; P225-I227 PolarHBondContact O-N 3.31Å
226L75.5Confident66Low89 Ų8978 Ų7847%0.46642%0.422SS..  trans-77115.6177.8-74.9169.6000109.5H34 N198 N224H34-L226 VanDerWaalsContact CA-O 3.3Å; H34-L226 WeakPolarHBondContact CA-O 3.46Å; H34-L226 VanDerWaalsContact CB-O 3.29Å; H34-L226 WeakPolarHBondContact CB-O 3.29Å; H34-L226 PolarHBondContact ND1-O 3.12Å; N198-L226 HydrophobicContact CB-CB 4.26Å; N198-L226 HydrophobicContact CB-CD1 3.61Å; N198-L226 HydrophobicContact CB-CG 3.64Å; N198-L226 PolarHBondContact O-N 2.7Å; N224-L226 PolarHBondContact O-N 3.44Å
227I58.2Low63.5Low91 Ų9179.9 Ų79.947%0.46744%0.444SS..SBendtrans-82.1-19.9-176.5-56.2174.7000111.3Y35 P225Y35-I227 WeakPolarHBondContact CB-O 3.39Å; Y35-I227 PolarHBondContact N-O 2.84Å; P225-I227 PolarHBondContact O-N 3.31Å
228Y46.9Very low61Low190 Ų19080 Ų8075%0.74545%0.445SS*.  trans-144.346.9-166.4-61.4-77.3000115.2D230Y228-D230 VanDerWaalsContact C-N 3.25Å; Y228-D230 PolarHBondContact O-N 3.25Å; Y228-D230 VanDerWaalsContact O-N 3.14Å
229A39.5Very low59.6Low40 Ų4078.5 Ų78.533%0.33144%0.443SS..  trans-85.675165.500000109.2D231A229-D231 PolarHBondContact O-N 2.89Å
230D35.3Very low58.5Low141 Ų14179.4 Ų79.475%0.75445%0.449SS*.SBendtrans-58-18.4155.7-80.2-23.7000110.3Y228Y228-D230 VanDerWaalsContact C-N 3.25Å; Y228-D230 PolarHBondContact O-N 3.25Å; Y228-D230 VanDerWaalsContact O-N 3.14Å
231D33.7Very low57.8Low74 Ų7482.6 Ų82.640%0.39647%0.465SS..  trans-114.480176.1-155.5-14.8000112.2A229 S233 T234A229-D231 PolarHBondContact O-N 2.89Å; D231-S233 PolarHBondContact O-N 2.76Å; D231-S233 WeakPolarHBondContact OD1-CA 3.14Å; D231-S233 WeakPolarHBondContact OD1-CB 3.42Å; D231-S233 PolarHBondContact OD1-N 3.04Å; D231-S233 PolarHBondContact OD1-OG 3.26Å; D231-T234 HydrophobicContact CB-CG2 4.12Å; D231-T234 PolarHBondContact O-N 2.99Å; D231-T234 PolarHBondContact O-OG1 3.47Å; D231-T234 WeakPolarHBondContact OD2-CG2 3.42Å
232L36.8Very low57.4Low78 Ų7884.1 Ų84.141%0.40847%0.473SS..THydrogen-bonded Turntrans-62.70.8165.9-73.2149.8000112.7K92K92-L232 HydrophobicContact CB-CD2 4.2Å; K92-L232 WeakPolarHBondContact O-CD1 3.23Å; K92-L232 WeakPolarHBondContact O-CD2 3.38Å; K92-L232 WeakPolarHBondContact O-CG 3.39Å
233S32.4Very low57.2Low99 Ų9983.5 Ų83.569%0.69247%0.471SS*.THydrogen-bonded Turntrans-97.1-8.2178.388.60000115D231D231-S233 PolarHBondContact O-N 2.76Å; D231-S233 WeakPolarHBondContact OD1-CA 3.14Å; D231-S233 WeakPolarHBondContact OD1-CB 3.42Å; D231-S233 PolarHBondContact OD1-N 3.04Å; D231-S233 PolarHBondContact OD1-OG 3.26Å
234T30.4Very low57.2Low107 Ų10780.8 Ų80.866%0.65646%0.461SS*.SBendtrans-90.8-8.2-17753.10000115.2D231 T236D231-T234 HydrophobicContact CB-CG2 4.12Å; D231-T234 PolarHBondContact O-N 2.99Å; D231-T234 PolarHBondContact O-OG1 3.47Å; D231-T234 WeakPolarHBondContact OD2-CG2 3.42Å; T234-T236 PolarHBondContact O-N 3.25Å
235G33.1Very low57.2Low59 Ų5977.8 Ų77.861%0.60844%0.444SS*.SBendtrans-86.6104.216900000109.6S237G235-S237 PolarHBondContact O-N 3.09Å
236T32.3Very low57.4Low122 Ų12281.7 Ų81.775%0.74846%0.464SS*.  trans-37.5130.9165.741.20000110.4T234 V238T234-T236 PolarHBondContact O-N 3.25Å; T236-V238 PolarHBondContact O-N 3.31Å
237S43.8Very low58.1Low111 Ų11179.5 Ų79.578%0.77645%0.453SS*.  trans-70.423.4-167.774.10000114.7G235 T239G235-S237 PolarHBondContact O-N 3.09Å; S237-T239 PolarHBondContact O-N 3.35Å
238V46Very low59.8Low56 Ų5675.1 Ų75.134%0.33943%0.431SS..  trans-64.2107.6176.7-172.10000106.4T236 E242T236-V238 PolarHBondContact O-N 3.31Å; V238-E242 HydrophobicContact CG1-CB 3.68Å
239T67Low61.8Low74 Ų7472.2 Ų72.245%0.45442%0.422SS..  trans-57.6145.3174.961.60000107.3S237 M241 E242 Y243S237-T239 PolarHBondContact O-N 3.35Å; T239-M241 PolarHBondContact O-N 2.8Å; T239-E242 PolarHBondContact N-OE2 3.2Å; T239-E242 PolarHBondContact O-N 3.35Å; T239-E242 VanDerWaalsContact OG1-CD 3.23Å; T239-E242 VanDerWaalsContact OG1-CG 3.3Å; T239-E242 WeakPolarHBondContact OG1-CG 3.27Å; T239-E242 PolarHBondContact OG1-N 2.9Å; T239-E242 PolarHBondContact OG1-OE2 2.9Å; T239-Y243 PolarHBondContact O-N 2.79Å
240S73.7Confident64.2Low20 Ų2073.8 Ų73.814%0.1443%0.43CS..Hα-helixtrans-51.8-31.1177.6-66.50000112.3D195 T197 R222 L244D195-S240 WeakPolarHBondContact OD2-CB 3.46Å; D195-S240 PolarHBondContact OD2-OG 2.84Å; T197-S240 WeakPolarHBondContact CG2-OG 3.26Å; R222-S240 PolarHBondContact NH2-OG 2.82Å; S240-L244 WeakPolarHBondContact O-CB 3.15Å; S240-L244 WeakPolarHBondContact O-CG 3.36Å; S240-L244 PolarHBondContact O-N 2.79Å
241M81.7Confident66.8Low73 Ų7369.1 Ų69.136%0.3642%0.416SS..Hα-helixtrans-63.9-50.9174.8-169.7170-175.200113.1T239 Y243 L244 L245 I267 I269 V275T239-M241 PolarHBondContact O-N 2.8Å; M241-Y243 VanDerWaalsContact C-N 3.33Å; M241-Y243 PolarHBondContact O-N 3.33Å; M241-L244 PolarHBondContact O-N 2.82Å; M241-L245 HydrophobicContact CE-CD1 4.45Å; M241-L245 HydrophobicContact CG-CD1 4.06Å; M241-L245 WeakPolarHBondContact O-CB 3.49Å; M241-L245 VanDerWaalsContact O-CG 3.25Å; M241-L245 WeakPolarHBondContact O-CG 3.08Å; M241-L245 PolarHBondContact O-N 3.08Å; M241-I267 HydrophobicContact CB-CD1 4.42Å; M241-I269 HydrophobicContact CG-CD1 4.39Å; M241-V275 HydrophobicContact CE-CG1 4Å; M241-V275 HydrophobicContact CE-CG2 3.95Å
242E84.4Confident69.5Low96 Ų9669.1 Ų69.145%0.44942%0.418SS..Hα-helixtrans-59.8-44.9176.4-72.1159.2161.300111.1V238 T239 L244 L245 D246V238-E242 HydrophobicContact CG1-CB 3.68Å; T239-E242 PolarHBondContact N-OE2 3.2Å; T239-E242 PolarHBondContact O-N 3.35Å; T239-E242 VanDerWaalsContact OG1-CD 3.23Å; T239-E242 VanDerWaalsContact OG1-CG 3.3Å; T239-E242 WeakPolarHBondContact OG1-CG 3.27Å; T239-E242 PolarHBondContact OG1-N 2.9Å; T239-E242 PolarHBondContact OG1-OE2 2.9Å; E242-L244 PolarHBondContact O-N 3.1Å; E242-L245 PolarHBondContact O-N 3.02Å; E242-D246 PolarHBondContact O-N 2.87Å
243Y86.2Confident72.4Confident58 Ų5866 Ų6623%0.22740%0.401CS..Hα-helixtrans-57.9-48177.9177.8-98.5000111.8L193 K221 T239 M241 N247L193-Y243 HydrophobicContact CD1-CE1 4.42Å; L193-Y243 HydrophobicContact CD2-CE1 4.16Å; K221-Y243 HydrophobicContact CB-CE1 4.22Å; K221-Y243 WeakPolarHBondContact CD-OH 3.32Å; K221-Y243 VanDerWaalsContact CE-OH 3.28Å; K221-Y243 WeakPolarHBondContact CE-OH 3.41Å; K221-Y243 HydrophobicContact CG-CE1 3.88Å; K221-Y243 WeakPolarHBondContact CG-OH 3.4Å; T239-Y243 PolarHBondContact O-N 2.79Å; M241-Y243 VanDerWaalsContact C-N 3.33Å; M241-Y243 PolarHBondContact O-N 3.33Å; Y243-N247 VanDerWaalsContact CE2-ND2 3.29Å; Y243-N247 WeakPolarHBondContact CE2-ND2 2.93Å; Y243-N247 PolarHBondContact O-N 2.93Å; Y243-N247 VanDerWaalsContact O-N 3.16Å; Y243-N247 PolarHBondContact O-ND2 2.81Å
244L89.9Confident75.3Confident0 Ų063.8 Ų63.80%038%0.382CS..Hα-helixtrans-64.9-42.5178.1-71.8179.9000111.9L193 D195 S240 M241 E242 D246 N247 L248 A258 I269L193-L244 HydrophobicContact CB-CD2 4.34Å; L193-L244 HydrophobicContact CD2-CD2 3.58Å; L193-L244 HydrophobicContact CG-CD2 3.68Å; D195-L244 HydrophobicContact CB-CD2 4.34Å; S240-L244 WeakPolarHBondContact O-CB 3.15Å; S240-L244 WeakPolarHBondContact O-CG 3.36Å; S240-L244 PolarHBondContact O-N 2.79Å; M241-L244 PolarHBondContact O-N 2.82Å; E242-L244 PolarHBondContact O-N 3.1Å; L244-D246 PolarHBondContact O-N 2.79Å; L244-N247 PolarHBondContact O-N 3.33Å; L244-L248 WeakPolarHBondContact O-CB 3.34Å; L244-L248 VanDerWaalsContact O-CG 3.3Å; L244-L248 WeakPolarHBondContact O-CG 3.34Å; L244-L248 PolarHBondContact O-N 3.31Å; L244-A258 HydrophobicContact CD1-CB 3.58Å; L244-I269 HydrophobicContact CB-CD1 3.71Å; L244-I269 HydrophobicContact CD1-CD1 4.12Å; L244-I269 HydrophobicContact CD1-CG1 4.42Å
245L90.5Very high78.5Confident35 Ų3561.4 Ų61.418%0.18336%0.364CS..Hα-helixtrans-60.7-45.9179.5-75.7170000111.7M241 E242 L248 K249 I269 V275M241-L245 HydrophobicContact CE-CD1 4.45Å; M241-L245 HydrophobicContact CG-CD1 4.06Å; M241-L245 WeakPolarHBondContact O-CB 3.49Å; M241-L245 VanDerWaalsContact O-CG 3.25Å; M241-L245 WeakPolarHBondContact O-CG 3.08Å; M241-L245 PolarHBondContact O-N 3.08Å; E242-L245 PolarHBondContact O-N 3.02Å; L245-L248 PolarHBondContact O-N 2.97Å; L245-K249 WeakPolarHBondContact O-CB 3.09Å; L245-K249 VanDerWaalsContact O-CG 3.26Å; L245-K249 WeakPolarHBondContact O-CG 3.21Å; L245-K249 PolarHBondContact O-N 3.07Å; L245-I269 HydrophobicContact CD2-CD1 4.08Å; L245-I269 HydrophobicContact CD2-CG2 4.09Å; L245-I269 HydrophobicContact CG-CD1 4.01Å; L245-V275 HydrophobicContact CD2-CG2 3.95Å
246D88.9Confident81.4Confident102 Ų10258.6 Ų58.655%0.54534%0.335SS..Hα-helixtrans-64.9-41.1179.8-70.4-16.1000111.5E242 L244 S250E242-D246 PolarHBondContact O-N 2.87Å; L244-D246 PolarHBondContact O-N 2.79Å; D246-S250 PolarHBondContact O-N 3.26Å
247N90.2Very high84.3Confident43 Ų4353.5 Ų53.523%0.2330%0.304CS..Hα-helixtrans-71.6-35.3178.1-78.4-89.5000112.8L193 Y243 L244 S250L193-N247 HydrophobicContact CD2-CB 3.45Å; L193-N247 VanDerWaalsContact CD2-CB 3.45Å; Y243-N247 VanDerWaalsContact CE2-ND2 3.29Å; Y243-N247 WeakPolarHBondContact CE2-ND2 2.93Å; Y243-N247 PolarHBondContact O-N 2.93Å; Y243-N247 VanDerWaalsContact O-N 3.16Å; Y243-N247 PolarHBondContact O-ND2 2.81Å; L244-N247 PolarHBondContact O-N 3.33Å; N247-S250 WeakPolarHBondContact O-CB 3.16Å; N247-S250 PolarHBondContact O-N 3.3Å; N247-S250 PolarHBondContact O-OG 3.34Å
248L92.4Very high86.6Confident0 Ų048.6 Ų48.60%027%0.27CS..Hα-helixtrans-73-31.9177.8-76.3166000112.7L244 L245 S250 G251 H253 I269L244-L248 WeakPolarHBondContact O-CB 3.34Å; L244-L248 VanDerWaalsContact O-CG 3.3Å; L244-L248 WeakPolarHBondContact O-CG 3.34Å; L244-L248 PolarHBondContact O-N 3.31Å; L245-L248 PolarHBondContact O-N 2.97Å; L248-S250 PolarHBondContact O-N 3.47Å; L248-G251 PolarHBondContact O-N 2.68Å; L248-H253 HydrophobicContact CD2-CB 3.9Å; L248-H253 WeakPolarHBondContact CD2-O 3.49Å; L248-I269 HydrophobicContact CD1-CB 3.45Å; L248-I269 VanDerWaalsContact CD1-CB 3.45Å; L248-I269 HydrophobicContact CD1-CG2 3.34Å
249K90.4Very high88.7Confident129 Ų12947 Ų4756%0.56126%0.26SS*.Hα-helixtrans-66.3-21.6173.1-75.8172.6-176.9174.20113.3L245 G251L245-K249 WeakPolarHBondContact O-CB 3.09Å; L245-K249 VanDerWaalsContact O-CG 3.26Å; L245-K249 WeakPolarHBondContact O-CG 3.21Å; L245-K249 PolarHBondContact O-N 3.07Å; K249-G251 PolarHBondContact O-N 3.23Å
250S89.4Confident89.5Confident73 Ų7343.9 Ų43.951%0.5124%0.24SC..THydrogen-bonded Turntrans-69-17.2174.677.50000113.4D246 N247 L248 V252D246-S250 PolarHBondContact O-N 3.26Å; N247-S250 WeakPolarHBondContact O-CB 3.16Å; N247-S250 PolarHBondContact O-N 3.3Å; N247-S250 PolarHBondContact O-OG 3.34Å; L248-S250 PolarHBondContact O-N 3.47Å; S250-V252 PolarHBondContact O-N 3.35Å; S250-V252 WeakPolarHBondContact OG-CG2 3.3Å; S250-V252 PolarHBondContact OG-N 2.98Å
251G88.9Confident89.9Confident43 Ų4343.5 Ų43.544%0.44324%0.237SC..THydrogen-bonded Turntrans77.50.7-176.500000114.9L248 K249L248-G251 PolarHBondContact O-N 2.68Å; K249-G251 PolarHBondContact O-N 3.23Å
252V92.3Very high90Very high74 Ų7440.4 Ų40.445%0.44822%0.222SC..SBendtrans-71.8-34.2177.9176.30000112.2R191 S250R191-V252 WeakPolarHBondContact CB-O 3.5Å; R191-V252 WeakPolarHBondContact CG-O 3.47Å; S250-V252 PolarHBondContact O-N 3.35Å; S250-V252 WeakPolarHBondContact OG-CG2 3.3Å; S250-V252 PolarHBondContact OG-N 2.98Å
253H96Very high90.1Very high12 Ų1236.8 Ų36.86%0.05621%0.211CC..  trans-114.2145.5-178.9-52.691.4000110.4R191 L193 D219 L248R191-H253 HydrophobicContact CB-CB 4.41Å; L193-H253 HydrophobicContact CB-CB 4.08Å; D219-H253 IonicContact OD1-CD2 3.66Å; D219-H253 IonicContact OD1-NE2 3.33Å; D219-H253 PolarHBondContact OD1-NE2 2.92Å; L248-H253 HydrophobicContact CD2-CB 3.9Å; L248-H253 WeakPolarHBondContact CD2-O 3.49Å
254D95.1Very high90.2Very high52 Ų5237.3 Ų37.328%0.27822%0.22SC..SBendtrans-93.3-34.2179.1-59.7-62.4000111.9V190 R191 G270 H271V190-D254 WeakPolarHBondContact CA-OD2 3.24Å; V190-D254 HydrophobicContact CG1-CB 4.07Å; R191-D254 PolarHBondContact N-OD2 3.05Å; R191-D254 PolarHBondContact O-N 3.15Å; D254-G270 CarbonylContact O-C 3.48Å; D254-H271 WeakPolarHBondContact O-CA 3.34Å; D254-H271 PolarHBondContact O-N 3.26Å; D254-H271 IonicContact OD1-ND1 3.57Å
255I95.8Very high90Very high57 Ų5744.1 Ų44.129%0.29225%0.246SC..EExtended strand (participates in β ladder)trans-136.2134.1-176.4-52.7174.6000108V190 R191 L192 L193 V257 V268 I269V190-I255 HydrophobicContact CG1-CD1 4.1Å; V190-I255 HydrophobicContact CG1-CG1 4.49Å; R191-I255 PolarHBondContact O-N 3.37Å; L192-I255 CarbonylContact C-O 3.58Å; L192-I255 WeakPolarHBondContact CA-O 3.29Å; L192-I255 HydrophobicContact CD1-CB 3.77Å; L192-I255 HydrophobicContact CD1-CG2 3.65Å; L193-I255 PolarHBondContact N-O 3.07Å; I255-V257 HydrophobicContact CG2-CG2 4.26Å; I255-V268 HydrophobicContact CG2-CG1 4.16Å; I255-I269 WeakPolarHBondContact CA-O 3.21Å
256G95.1Very high89.9Confident0 Ų044.8 Ų44.80%026%0.256CS..EExtended strand (participates in β ladder)trans-115.1134.2171.600000110.7L193 V268 I269L193-G256 CarbonylContact O-C 3.6Å; L193-G256 WeakPolarHBondContact O-CA 3.44Å; G256-V268 CarbonylContact O-C 3.58Å; G256-V268 WeakPolarHBondContact O-CA 3.48Å; G256-I269 PolarHBondContact N-O 3.2Å; G256-I269 PolarHBondContact O-N 2.92Å
257V93.9Very high89.8Confident16 Ų1642.1 Ų42.110%0.09724%0.242CC..EExtended strand (participates in β ladder)trans-128.7128.3176179.80000109.3L192 L193 V194 D195 I255 I259 A266 I267 V268L192-V257 HydrophobicContact CD1-CG2 3.8Å; L193-V257 PolarHBondContact O-N 2.95Å; V194-V257 CarbonylContact C-O 3.55Å; V194-V257 WeakPolarHBondContact CA-O 3.44Å; D195-V257 PolarHBondContact N-O 3.29Å; I255-V257 HydrophobicContact CG2-CG2 4.26Å; V257-I259 HydrophobicContact CG1-CD1 4.34Å; V257-I259 HydrophobicContact CG1-CG1 3.8Å; V257-A266 HydrophobicContact CG1-CB 4.36Å; V257-I267 VanDerWaalsContact CA-O 3.26Å; V257-I267 WeakPolarHBondContact CA-O 3.48Å; V257-V268 HydrophobicContact CG2-CG1 4.33Å; V257-V268 HydrophobicContact CG2-CG2 4.29Å
258A91Very high89.8Confident7 Ų742.8 Ų42.86%0.05825%0.247CC..EExtended strand (participates in β ladder)trans-111.5120.3170.200000108.3D195 L244 A266 I267D195-A258 CarbonylContact O-C 3.55Å; D195-A258 VanDerWaalsContact O-CA 3.27Å; D195-A258 WeakPolarHBondContact O-CA 3.31Å; L244-A258 HydrophobicContact CD1-CB 3.58Å; A258-A266 CarbonylContact O-C 3.58Å; A258-A266 WeakPolarHBondContact O-CA 3.35Å; A258-I267 HydrophobicContact CB-CB 4.39Å; A258-I267 PolarHBondContact N-O 2.8Å; A258-I267 PolarHBondContact O-N 3.09Å
259I89.5Confident89.8Confident24 Ų2442.8 Ų42.812%0.12325%0.247CC..EExtended strand (participates in β ladder)trans-106.3130.2178.5-51.6176.4000108.6V194 D195 C196 A205 F209 V257 A266V194-I259 HydrophobicContact CG1-CD1 4.29Å; D195-I259 PolarHBondContact O-N 3.11Å; C196-I259 CarbonylContact C-O 3.43Å; A205-I259 HydrophobicContact CB-CD1 3.88Å; F209-I259 HydrophobicContact CE2-CD1 4.24Å; V257-I259 HydrophobicContact CG1-CD1 4.34Å; V257-I259 HydrophobicContact CG1-CG1 3.8Å; I259-A266 HydrophobicContact CG1-CB 4.38Å
260D84Confident89.9Confident8 Ų837.6 Ų37.64%0.04323%0.23CC..  trans-70.8163.1-177.1101.8-43.6000111.1Q89 S201 D262 G263 T264 R265Q89-D260 PolarHBondContact NE2-OD2 3.07Å; S201-D260 VanDerWaalsContact CB-O 3.32Å; S201-D260 WeakPolarHBondContact CB-O 3.42Å; S201-D260 PolarHBondContact OG-O 2.92Å; D260-D262 VanDerWaalsContact C-N 3.3Å; D260-D262 PolarHBondContact O-N 3.17Å; D260-G263 PolarHBondContact O-N 3.48Å; D260-G263 WeakPolarHBondContact OD1-CA 3.45Å; D260-G263 PolarHBondContact OD1-N 2.87Å; D260-G263 VanDerWaalsContact OD1-N 3.11Å; D260-T264 PolarHBondContact OD1-N 3.48Å; D260-T264 PolarHBondContact OD2-OG1 2.84Å; D260-R265 HydrophobicContact CB-CB 3.97Å; D260-R265 WeakPolarHBondContact CB-O 3.42Å; D260-R265 PolarHBondContact N-O 2.76Å; D260-R265 PolarHBondContact OD1-N 2.89Å; D260-R265 IonicContact OD2-CZ 3.25Å; D260-R265 VanDerWaalsContact OD2-CZ 3.3Å; D260-R265 IonicContact OD2-NE 2.59Å; D260-R265 PolarHBondContact OD2-NE 2.8Å; D260-R265 IonicContact OD2-NH2 3.52Å; D260-R265 PolarHBondContact OD2-NH2 3.02Å
261C82.4Confident89.9Confident12 Ų1239.1 Ų39.18%0.08123%0.229CC..THydrogen-bonded Turntrans-62.3-34.1-163.8-51.90000114.5M32 T197 A200 S201M32-C261 HydrophobicContact CE-CB 3.32Å; M32-C261 HydrophobicContact SD-CB 3.83Å; T197-C261 PolarHBondContact OG1-SG 3.03Å; A200-C261 PolarHBondContact N-O 3.43Å; S201-C261 PolarHBondContact N-O 3.09Å
262D83.3Confident90Very high7 Ų742.4 Ų42.44%0.03724%0.237CC..THydrogen-bonded Turntrans-96.37.2179.175.9-14.6000113.2M32 T65 T66 P67 K100 D260 T264M32-D262 HydrophobicContact SD-CB 3.74Å; T65-D262 VanDerWaalsContact CB-O 3.29Å; T65-D262 WeakPolarHBondContact CB-O 3.23Å; T66-D262 PolarHBondContact N-O 3.39Å; T66-D262 PolarHBondContact OG1-OD2 3.33Å; P67-D262 WeakPolarHBondContact CD-O 3Å; K100-D262 IonicContact NZ-OD2 3.42Å; K100-D262 PolarHBondContact NZ-OD2 2.86Å; D260-D262 VanDerWaalsContact C-N 3.3Å; D260-D262 PolarHBondContact O-N 3.17Å; D262-T264 VanDerWaalsContact C-N 3.28Å; D262-T264 PolarHBondContact O-N 3.03Å; D262-T264 WeakPolarHBondContact OD1-CB 3.2Å; D262-T264 WeakPolarHBondContact OD1-CG2 3.39Å; D262-T264 PolarHBondContact OD1-N 2.82Å; D262-T264 PolarHBondContact OD1-OG1 2.84Å
263G87.5Confident89.8Confident21 Ų2139.6 Ų39.622%0.21622%0.223CC..SBendtrans71.61417500000115P67 D260P67-G263 WeakPolarHBondContact CG-O 3.49Å; D260-G263 PolarHBondContact O-N 3.48Å; D260-G263 WeakPolarHBondContact OD1-CA 3.45Å; D260-G263 PolarHBondContact OD1-N 2.87Å; D260-G263 VanDerWaalsContact OD1-N 3.11Å
264T87.3Confident89.5Confident68 Ų6845.8 Ų45.842%0.41725%0.249SC..SBendtrans-89.2-20.4-176.660.60000113.9T66 D260 D262T66-T264 VanDerWaalsContact CB-CG2 3.44Å; T66-T264 HydrophobicContact CG2-CG2 3.76Å; D260-T264 PolarHBondContact OD1-N 3.48Å; D260-T264 PolarHBondContact OD2-OG1 2.84Å; D262-T264 VanDerWaalsContact C-N 3.28Å; D262-T264 PolarHBondContact O-N 3.03Å; D262-T264 WeakPolarHBondContact OD1-CB 3.2Å; D262-T264 WeakPolarHBondContact OD1-CG2 3.39Å; D262-T264 PolarHBondContact OD1-N 2.82Å; D262-T264 PolarHBondContact OD1-OG1 2.84Å
265R86Confident89.2Confident143 Ų14346.2 Ų46.254%0.5425%0.254SS..  trans-132147.5-178.3-64.5171.3-69.3-172.1-3110.5D260D260-R265 HydrophobicContact CB-CB 3.97Å; D260-R265 WeakPolarHBondContact CB-O 3.42Å; D260-R265 PolarHBondContact N-O 2.76Å; D260-R265 PolarHBondContact OD1-N 2.89Å; D260-R265 IonicContact OD2-CZ 3.25Å; D260-R265 VanDerWaalsContact OD2-CZ 3.3Å; D260-R265 IonicContact OD2-NE 2.59Å; D260-R265 PolarHBondContact OD2-NE 2.8Å; D260-R265 IonicContact OD2-NH2 3.52Å; D260-R265 PolarHBondContact OD2-NH2 3.02Å
266A88.3Confident88.5Confident49 Ų4944.4 Ų44.441%0.40525%0.247SC..EExtended strand (participates in β ladder)trans-139.6147.3172.200000111.2V257 A258 I259V257-A266 HydrophobicContact CG1-CB 4.36Å; A258-A266 CarbonylContact O-C 3.58Å; A258-A266 WeakPolarHBondContact O-CA 3.35Å; I259-A266 HydrophobicContact CG1-CB 4.38Å
267I87.5Confident88Confident46 Ų4647.8 Ų47.824%0.23627%0.27CS..EExtended strand (participates in β ladder)trans-103138.5163.5-57.2174.2000106.5M241 V257 A258 I269M241-I267 HydrophobicContact CB-CD1 4.42Å; V257-I267 VanDerWaalsContact CA-O 3.26Å; V257-I267 WeakPolarHBondContact CA-O 3.48Å; A258-I267 HydrophobicContact CB-CB 4.39Å; A258-I267 PolarHBondContact N-O 2.8Å; A258-I267 PolarHBondContact O-N 3.09Å; I267-I269 HydrophobicContact CG2-CD1 4.37Å; I267-I269 HydrophobicContact CG2-CG1 3.91Å
268V90.3Very high87.2Confident57 Ų5753 Ų5335%0.34529%0.292SS..EExtended strand (participates in β ladder)trans-120.4131.3172.2-174.50000107.2I255 G256 V257I255-V268 HydrophobicContact CG2-CG1 4.16Å; G256-V268 CarbonylContact O-C 3.58Å; G256-V268 WeakPolarHBondContact O-CA 3.48Å; V257-V268 HydrophobicContact CG2-CG1 4.33Å; V257-V268 HydrophobicContact CG2-CG2 4.29Å
269I91.7Very high86.9Confident0 Ų053.7 Ų53.70%030%0.296CS..EExtended strand (participates in β ladder)trans-126128.9178.5-49.4-173.4000107M241 L244 L245 L248 I255 G256 I267 F274 V275M241-I269 HydrophobicContact CG-CD1 4.39Å; L244-I269 HydrophobicContact CB-CD1 3.71Å; L244-I269 HydrophobicContact CD1-CD1 4.12Å; L244-I269 HydrophobicContact CD1-CG1 4.42Å; L245-I269 HydrophobicContact CD2-CD1 4.08Å; L245-I269 HydrophobicContact CD2-CG2 4.09Å; L245-I269 HydrophobicContact CG-CD1 4.01Å; L248-I269 HydrophobicContact CD1-CB 3.45Å; L248-I269 VanDerWaalsContact CD1-CB 3.45Å; L248-I269 HydrophobicContact CD1-CG2 3.34Å; I255-I269 WeakPolarHBondContact CA-O 3.21Å; G256-I269 PolarHBondContact N-O 3.2Å; G256-I269 PolarHBondContact O-N 2.92Å; I267-I269 HydrophobicContact CG2-CD1 4.37Å; I267-I269 HydrophobicContact CG2-CG1 3.91Å; I269-F274 CarbonylContact C-O 3.47Å; I269-F274 WeakPolarHBondContact CA-O 3.39Å; I269-F274 WeakPolarHBondContact CG2-O 3.19Å; I269-V275 HydrophobicContact CD1-CG2 4.37Å; I269-V275 HydrophobicContact CG1-CG2 4.35Å; I269-V275 HydrophobicContact CG2-CG2 4.04Å
270G92.3Very high86.9Confident20 Ų2055 Ų5521%0.20630%0.304CS..BIsolated β-bridgetrans-82.3179.8176.700000112.8D254 G273 F274D254-G270 CarbonylContact O-C 3.48Å; G270-G273 PolarHBondContact O-N 3.33Å; G270-G273 VanDerWaalsContact O-N 3.15Å; G270-F274 PolarHBondContact N-O 3.4Å; G270-F274 PolarHBondContact O-N 3.15Å
271H90.2Very high87.1Confident105 Ų10556.5 Ų56.549%0.48631%0.31SS..G310 helixtrans-52.6145.4-179.7-173.585.7000111.7D254 G273 F274D254-H271 WeakPolarHBondContact O-CA 3.34Å; D254-H271 PolarHBondContact O-N 3.26Å; D254-H271 IonicContact OD1-ND1 3.57Å; H271-G273 PolarHBondContact O-N 3.29Å; H271-G273 VanDerWaalsContact O-N 3.15Å; H271-F274 PolarHBondContact O-N 3.15Å
272N90.4Very high87.5Confident113 Ų11359.4 Ų59.460%0.60433%0.325SS*.G310 helixtrans56.324.9-176.9-162.228.2000114.3
273G88Confident87.9Confident15 Ų1560.1 Ų60.116%0.15533%0.331CS..G310 helixtrans78.324.2176.200000114.6G270 H271 V275G270-G273 PolarHBondContact O-N 3.33Å; G270-G273 VanDerWaalsContact O-N 3.15Å; H271-G273 PolarHBondContact O-N 3.29Å; H271-G273 VanDerWaalsContact O-N 3.15Å; G273-V275 PolarHBondContact O-N 3.34Å
274F90.7Very high88.2Confident141 Ų14163.3 Ų63.362%0.61835%0.346SS*.BIsolated β-bridgetrans-66.4117.2175.5176.2-101.1000111.2I269 G270 H271 A276I269-F274 CarbonylContact C-O 3.47Å; I269-F274 WeakPolarHBondContact CA-O 3.39Å; I269-F274 WeakPolarHBondContact CG2-O 3.19Å; G270-F274 PolarHBondContact N-O 3.4Å; G270-F274 PolarHBondContact O-N 3.15Å; H271-F274 PolarHBondContact O-N 3.15Å; F274-A276 HydrophobicContact CE1-CB 3.78Å; F274-A276 HydrophobicContact CZ-CB 4.26Å
275V88.6Confident88.4Confident62 Ų6265.8 Ų65.838%0.37635%0.352SS..  trans-106.1109.7177.3-176.80000108.9M241 L245 I269 G273M241-V275 HydrophobicContact CE-CG1 4Å; M241-V275 HydrophobicContact CE-CG2 3.95Å; L245-V275 HydrophobicContact CD2-CG2 3.95Å; I269-V275 HydrophobicContact CD1-CG2 4.37Å; I269-V275 HydrophobicContact CG1-CG2 4.35Å; I269-V275 HydrophobicContact CG2-CG2 4.04Å; G273-V275 PolarHBondContact O-N 3.34Å
276A81.1Confident88.8Confident18 Ų1860.2 Ų60.215%0.14934%0.336CS..  trans-81.2145.9169.400000110.7F274 H281F274-A276 HydrophobicContact CE1-CB 3.78Å; F274-A276 HydrophobicContact CZ-CB 4.26Å; A276-H281 WeakPolarHBondContact CB-NE2 3.25Å; A276-H281 PolarHBondContact O-NE2 2.92Å
277P83.2Confident89.1Confident72 Ų7267 Ų6747%0.46835%0.352SS..  trans-56.7140.8170.2-23.132.7000111.3T279 D280 H281P277-T279 PolarHBondContact O-N 2.95Å; P277-D280 HydrophobicContact CB-CB 4.48Å; P277-D280 WeakPolarHBondContact CD-OD2 3.34Å; P277-D280 WeakPolarHBondContact O-CB 3.4Å; P277-D280 PolarHBondContact O-N 2.59Å; P277-H281 PolarHBondContact O-CD2 3.14Å; P277-H281 PolarHBondContact O-N 3.41Å
278H78.4Confident89.4Confident124 Ų12467.5 Ų67.557%0.57436%0.356SS*.Hα-helixtrans-55.9-29.6179.1-66.9-63000113.8D280 H281H278-D280 VanDerWaalsContact C-N 3.33Å; H278-H281 WeakPolarHBondContact O-CB 3.39Å
279T83.4Confident89.5Confident22 Ų2265 Ų6514%0.13534%0.341CS..Hα-helixtrans-71.3-28.9176440000113.6P277 H281 L282 A283 P311P277-T279 PolarHBondContact O-N 2.95Å; T279-H281 VanDerWaalsContact C-N 3.33Å; T279-L282 PolarHBondContact O-N 3.22Å; T279-A283 PolarHBondContact O-N 3Å; T279-A283 VanDerWaalsContact O-N 3.15Å; T279-P311 HydrophobicContact CG2-CB 4.01Å; T279-P311 VanDerWaalsContact CG2-CD 3.44Å; T279-P311 HydrophobicContact CG2-CG 3.91Å
280D89.9Confident89.5Confident53 Ų5370 Ų7028%0.28337%0.368SS..Hα-helixtrans-72.8-35.3178.4-6515.6000109.5P277 H278 L282 A283 V284 N313P277-D280 HydrophobicContact CB-CB 4.48Å; P277-D280 WeakPolarHBondContact CD-OD2 3.34Å; P277-D280 WeakPolarHBondContact O-CB 3.4Å; P277-D280 PolarHBondContact O-N 2.59Å; H278-D280 VanDerWaalsContact C-N 3.33Å; D280-L282 VanDerWaalsContact C-N 3.29Å; D280-L282 PolarHBondContact O-N 3.29Å; D280-A283 PolarHBondContact O-N 3.46Å; D280-V284 WeakPolarHBondContact O-CB 3.42Å; D280-V284 VanDerWaalsContact O-CG2 3.27Å; D280-V284 WeakPolarHBondContact O-CG2 3.3Å; D280-V284 PolarHBondContact O-N 2.94Å; D280-N313 PolarHBondContact OD1-ND2 2.79Å
281H88.5Confident89.4Confident38 Ų3874.4 Ų74.418%0.17639%0.386CS..Hα-helixtrans-55.6-48.5173-60.7-175.2000110.4A276 P277 H278 T279 A283 V284 F285A276-H281 WeakPolarHBondContact CB-NE2 3.25Å; A276-H281 PolarHBondContact O-NE2 2.92Å; P277-H281 PolarHBondContact O-CD2 3.14Å; P277-H281 PolarHBondContact O-N 3.41Å; H278-H281 WeakPolarHBondContact O-CB 3.39Å; T279-H281 VanDerWaalsContact C-N 3.33Å; H281-A283 PolarHBondContact O-N 2.74Å; H281-V284 PolarHBondContact O-N 2.9Å; H281-F285 HydrophobicContact CB-CD2 4.45Å; H281-F285 HydrophobicContact CB-CE2 4.41Å; H281-F285 WeakPolarHBondContact O-CB 3.11Å; H281-F285 WeakPolarHBondContact O-CD2 3.32Å; H281-F285 PolarHBondContact O-N 2.78Å
282L90.3Very high89.5Confident74 Ų7471.3 Ų71.339%0.38737%0.371SS..Hα-helixtrans-63.1-41.6-179.6-17662.3000112.1T279 D280 F285 A286 I314T279-L282 PolarHBondContact O-N 3.22Å; D280-L282 VanDerWaalsContact C-N 3.29Å; D280-L282 PolarHBondContact O-N 3.29Å; L282-F285 PolarHBondContact O-N 3.15Å; L282-A286 WeakPolarHBondContact O-CB 3.31Å; L282-A286 PolarHBondContact O-N 3.39Å; L282-I314 HydrophobicContact CD1-CD1 4.28Å; L282-I314 HydrophobicContact CD2-CD1 3.63Å; L282-I314 HydrophobicContact CG-CD1 3.57Å; L282-I314 HydrophobicContact CG-CG1 4.3Å
283A93.4Very high89.5Confident22 Ų2266.7 Ų66.718%0.18235%0.347CS..Hα-helixtrans-63.7-45.4175.800000111.9T279 D280 H281 F285 A286 Y287 N313 I314T279-A283 PolarHBondContact O-N 3Å; T279-A283 VanDerWaalsContact O-N 3.15Å; D280-A283 PolarHBondContact O-N 3.46Å; H281-A283 PolarHBondContact O-N 2.74Å; A283-F285 PolarHBondContact O-N 3.03Å; A283-A286 PolarHBondContact O-N 2.99Å; A283-Y287 WeakPolarHBondContact O-CB 3.33Å; A283-Y287 PolarHBondContact O-N 3.3Å; A283-N313 HydrophobicContact CB-CB 4.32Å; A283-I314 HydrophobicContact CB-CB 4.48Å
284V93.6Very high89.7Confident87 Ų8771.1 Ų71.153%0.52736%0.36SS..Hα-helixtrans-62.4-41.9176.8171.40000111.2D280 H281 Y287 N288D280-V284 WeakPolarHBondContact O-CB 3.42Å; D280-V284 VanDerWaalsContact O-CG2 3.27Å; D280-V284 WeakPolarHBondContact O-CG2 3.3Å; D280-V284 PolarHBondContact O-N 2.94Å; H281-V284 PolarHBondContact O-N 2.9Å; V284-Y287 PolarHBondContact O-N 2.48Å; V284-N288 WeakPolarHBondContact O-CB 3.43Å; V284-N288 PolarHBondContact O-N 2.93Å; V284-N288 PolarHBondContact O-ND2 3.36Å
285F91.7Very high89.8Confident121 Ų12167.8 Ų67.853%0.53135%0.345SS..Hα-helixtrans-63-44.2174.4-82-62.1000112H281 L282 A283 N288 A289 F292H281-F285 HydrophobicContact CB-CD2 4.45Å; H281-F285 HydrophobicContact CB-CE2 4.41Å; H281-F285 WeakPolarHBondContact O-CB 3.11Å; H281-F285 WeakPolarHBondContact O-CD2 3.32Å; H281-F285 PolarHBondContact O-N 2.78Å; L282-F285 PolarHBondContact O-N 3.15Å; A283-F285 PolarHBondContact O-N 3.03Å; F285-N288 CarbonylContact O-C 3.46Å; F285-N288 PolarHBondContact O-N 2.81Å; F285-A289 WeakPolarHBondContact O-CA 3.47Å; F285-A289 PolarHBondContact O-N 3.26Å; F285-F292 HydrophobicContact CD1-CE2 4.16Å; F285-F292 AromaticContact CD1-CZ 3.74Å; F285-F292 HydrophobicContact CD1-CZ 3.74Å; F285-F292 AromaticContact CE1-CZ 3.92Å; F285-F292 HydrophobicContact CE1-CZ 3.92Å
286A93.2Very high89.9Confident25 Ų2571.7 Ų71.721%0.20735%0.353CS..Hα-helixtrans-62.6-44.6178.600000111.6L282 A283 N288 A289 L304 I314L282-A286 WeakPolarHBondContact O-CB 3.31Å; L282-A286 PolarHBondContact O-N 3.39Å; A283-A286 PolarHBondContact O-N 2.99Å; A286-N288 VanDerWaalsContact C-N 3.32Å; A286-N288 PolarHBondContact O-N 3.03Å; A286-A289 VanDerWaalsContact O-CB 3.32Å; A286-A289 WeakPolarHBondContact O-CB 3.42Å; A286-A289 PolarHBondContact O-N 2.94Å; A286-L304 HydrophobicContact CB-CD1 3.84Å; A286-L304 HydrophobicContact CB-CD2 3.86Å; A286-I314 HydrophobicContact CB-CD1 4.48Å; A286-I314 HydrophobicContact CB-CG1 4.14Å
287Y94.2Very high90.4Very high193 Ų19378.2 Ų78.276%0.75738%0.381SS*.Hα-helixtrans-61.6-39.5177.8-175-93.4000112.4A283 V284A283-Y287 WeakPolarHBondContact O-CB 3.33Å; A283-Y287 PolarHBondContact O-N 3.3Å; V284-Y287 PolarHBondContact O-N 2.48Å
288N94.1Very high90.8Very high56 Ų5677.7 Ų77.730%0.29938%0.378SS..THydrogen-bonded Turntrans-96.916.5-178.6-65.5-77000113.5V284 F285 A286 N290 L291V284-N288 WeakPolarHBondContact O-CB 3.43Å; V284-N288 PolarHBondContact O-N 2.93Å; V284-N288 PolarHBondContact O-ND2 3.36Å; F285-N288 CarbonylContact O-C 3.46Å; F285-N288 PolarHBondContact O-N 2.81Å; A286-N288 VanDerWaalsContact C-N 3.32Å; A286-N288 PolarHBondContact O-N 3.03Å; N288-N290 PolarHBondContact O-N 3.29Å; N288-N290 VanDerWaalsContact O-N 3.11Å; N288-N290 PolarHBondContact O-OD1 2.66Å; N288-L291 HydrophobicContact CB-CD1 3.92Å; N288-L291 HydrophobicContact CB-CG 4.28Å; N288-L291 WeakPolarHBondContact O-CB 3.37Å; N288-L291 WeakPolarHBondContact O-CG 3.35Å; N288-L291 PolarHBondContact O-N 3.44Å
289A93.3Very high91.5Very high5 Ų574.3 Ų74.34%0.04138%0.377CS..G310 helixtrans-59.9-28.9-17300000112.8F285 A286 L291 F292 F295 V301F285-A289 WeakPolarHBondContact O-CA 3.47Å; F285-A289 PolarHBondContact O-N 3.26Å; A286-A289 VanDerWaalsContact O-CB 3.32Å; A286-A289 WeakPolarHBondContact O-CB 3.42Å; A286-A289 PolarHBondContact O-N 2.94Å; A289-L291 PolarHBondContact O-N 3.42Å; A289-F292 WeakPolarHBondContact O-CD2 3.4Å; A289-F292 PolarHBondContact O-N 3.32Å; A289-F295 HydrophobicContact CB-CD2 3.86Å; A289-F295 HydrophobicContact CB-CE2 4.29Å; A289-F295 HydrophobicContact CB-CG 4.22Å; A289-F295 VanDerWaalsContact O-CB 3.31Å; A289-F295 WeakPolarHBondContact O-CB 3.45Å; A289-F295 VanDerWaalsContact O-CD2 3.31Å; A289-F295 WeakPolarHBondContact O-CD2 3.37Å; A289-V301 HydrophobicContact CB-CG2 3.28Å
290N90.8Very high91.9Very high104 Ų10474.8 Ų74.856%0.55639%0.386SS*.G310 helixtrans-64.2-15.7175.865.9-23.2000114.2N288 F292 R296N288-N290 PolarHBondContact O-N 3.29Å; N288-N290 VanDerWaalsContact O-N 3.11Å; N288-N290 PolarHBondContact O-OD1 2.66Å; N290-F292 VanDerWaalsContact C-N 3.32Å; N290-R296 WeakPolarHBondContact O-CD 3.32Å; N290-R296 WeakPolarHBondContact O-CG 3.3Å
291L91.3Very high92.1Very high112 Ų11275.1 Ų75.159%0.58639%0.39SS*.G310 helixtrans-74.7-22.7175.8-58.4-175.9000112.4N288 A289N288-L291 HydrophobicContact CB-CD1 3.92Å; N288-L291 HydrophobicContact CB-CG 4.28Å; N288-L291 WeakPolarHBondContact O-CB 3.37Å; N288-L291 WeakPolarHBondContact O-CG 3.35Å; N288-L291 PolarHBondContact O-N 3.44Å; A289-L291 PolarHBondContact O-N 3.42Å
292F90.5Very high92.3Very high40 Ų4081.3 Ų81.318%0.17542%0.416CS..SBendtrans-85.5128.9-179-55-88.5000111F172 F285 A289 N290 Y294 F295 R296F172-F292 AromaticContact CD1-CD1 3.48Å; F172-F292 HydrophobicContact CD1-CD1 3.48Å; F172-F292 VanDerWaalsContact CD1-CD1 3.48Å; F172-F292 AromaticContact CD1-CE1 3.56Å; F172-F292 HydrophobicContact CD1-CE1 3.56Å; F172-F292 AromaticContact CE1-CD1 3.54Å; F172-F292 HydrophobicContact CE1-CD1 3.54Å; F172-F292 AromaticContact CE1-CE1 3.37Å; F172-F292 HydrophobicContact CE1-CE1 3.37Å; F285-F292 HydrophobicContact CD1-CE2 4.16Å; F285-F292 AromaticContact CD1-CZ 3.74Å; F285-F292 HydrophobicContact CD1-CZ 3.74Å; F285-F292 AromaticContact CE1-CZ 3.92Å; F285-F292 HydrophobicContact CE1-CZ 3.92Å; A289-F292 WeakPolarHBondContact O-CD2 3.4Å; A289-F292 PolarHBondContact O-N 3.32Å; N290-F292 VanDerWaalsContact C-N 3.32Å; F292-Y294 PolarHBondContact O-N 2.83Å; F292-F295 HydrophobicContact CB-CD2 3.83Å; F292-F295 HydrophobicContact CB-CE2 4.45Å; F292-F295 AromaticContact CD2-CD2 3.99Å; F292-F295 HydrophobicContact CD2-CD2 3.99Å; F292-F295 HydrophobicContact CD2-CE2 4.24Å; F292-F295 HydrophobicContact CG-CD2 4.19Å; F292-F295 HydrophobicContact CG-CE2 4.46Å; F292-F295 PolarHBondContact O-N 3.19Å; F292-R296 PolarHBondContact O-N 2.84Å
293P91.9Very high92.5Very high16 Ų1680.7 Ų80.710%0.10443%0.428CS..Hα-helixtrans-48.9-42.6175.9-29.634.6000113.7L171 D173 F295 R296 Q297L171-P293 WeakPolarHBondContact O-CD 3.28Å; D173-P293 HydrophobicContact CB-CG 3.93Å; P293-F295 PolarHBondContact O-N 3.43Å; P293-R296 PolarHBondContact O-N 3.39Å; P293-Q297 WeakPolarHBondContact O-CB 3.44Å; P293-Q297 VanDerWaalsContact O-CG 3.27Å; P293-Q297 WeakPolarHBondContact O-CG 3.29Å; P293-Q297 PolarHBondContact O-N 3.33Å
294Y91.8Very high92.5Very high108 Ų10884.4 Ų84.442%0.42444%0.444SS..Hα-helixtrans-55.3-52.9179.5175.5-99.7000113L171 F292 R296 Q297 C298L171-Y294 HydrophobicContact CD2-CD2 3.56Å; L171-Y294 HydrophobicContact CD2-CE2 4.29Å; L171-Y294 HydrophobicContact CD2-CG 3.77Å; F292-Y294 PolarHBondContact O-N 2.83Å; Y294-R296 VanDerWaalsContact C-N 3.31Å; Y294-R296 PolarHBondContact O-N 2.72Å; Y294-Q297 PolarHBondContact O-N 3.2Å; Y294-C298 PolarHBondContact O-N 3.11Å; Y294-C298 PolarHBondContact O-SG 2.89Å; Y294-C298 VanDerWaalsContact O-SG 3.41Å
295F92.4Very high92.6Very high71 Ų7184.4 Ų84.431%0.31145%0.454SS..Hα-helixtrans-68.1-32.8-178.3-66.9-60.8000111.9A289 F292 P293 G299 G300 V301A289-F295 HydrophobicContact CB-CD2 3.86Å; A289-F295 HydrophobicContact CB-CE2 4.29Å; A289-F295 HydrophobicContact CB-CG 4.22Å; A289-F295 VanDerWaalsContact O-CB 3.31Å; A289-F295 WeakPolarHBondContact O-CB 3.45Å; A289-F295 VanDerWaalsContact O-CD2 3.31Å; A289-F295 WeakPolarHBondContact O-CD2 3.37Å; F292-F295 HydrophobicContact CB-CD2 3.83Å; F292-F295 HydrophobicContact CB-CE2 4.45Å; F292-F295 AromaticContact CD2-CD2 3.99Å; F292-F295 HydrophobicContact CD2-CD2 3.99Å; F292-F295 HydrophobicContact CD2-CE2 4.24Å; F292-F295 HydrophobicContact CG-CD2 4.19Å; F292-F295 HydrophobicContact CG-CE2 4.46Å; F292-F295 PolarHBondContact O-N 3.19Å; P293-F295 PolarHBondContact O-N 3.43Å; F295-G299 PolarHBondContact O-N 3.35Å; F295-G300 VanDerWaalsContact O-CA 3.29Å; F295-G300 WeakPolarHBondContact O-CA 3.26Å; F295-G300 PolarHBondContact O-N 3.33Å; F295-V301 HydrophobicContact CD1-CG2 4.17Å; F295-V301 HydrophobicContact CG-CG2 4.42Å
296R91.6Very high92.7Very high144 Ų14482.9 Ų82.954%0.54344%0.444SS..Hα-helixtrans-62.1-46.7171.9-68.7-169.8-73.4179.6-1.5111.4N290 F292 P293 Y294 C298 G299N290-R296 WeakPolarHBondContact O-CD 3.32Å; N290-R296 WeakPolarHBondContact O-CG 3.3Å; F292-R296 PolarHBondContact O-N 2.84Å; P293-R296 PolarHBondContact O-N 3.39Å; Y294-R296 VanDerWaalsContact C-N 3.31Å; Y294-R296 PolarHBondContact O-N 2.72Å; R296-C298 PolarHBondContact O-N 2.72Å; R296-G299 PolarHBondContact O-N 3.02Å
297Q91.5Very high92.6Very high155 Ų15586 Ų8672%0.72446%0.461SS*.Hα-helixtrans-65.9-35.4-179.3-71.117111.100112.9P293 Y294 G299P293-Q297 WeakPolarHBondContact O-CB 3.44Å; P293-Q297 VanDerWaalsContact O-CG 3.27Å; P293-Q297 WeakPolarHBondContact O-CG 3.29Å; P293-Q297 PolarHBondContact O-N 3.33Å; Y294-Q297 PolarHBondContact O-N 3.2Å; Q297-G299 PolarHBondContact O-N 3.19Å
298C90.7Very high92.6Very high61 Ų6183.8 Ų83.841%0.41247%0.467SS..THydrogen-bonded Turntrans-80.96.7177.4-63.50000114.2Y294 R296 K302Y294-C298 PolarHBondContact O-N 3.11Å; Y294-C298 PolarHBondContact O-SG 2.89Å; Y294-C298 VanDerWaalsContact O-SG 3.41Å; R296-C298 PolarHBondContact O-N 2.72Å; C298-K302 VanDerWaalsContact O-CE 3.29Å; C298-K302 WeakPolarHBondContact O-CE 3.47Å
299G92.9Very high92.5Very high53 Ų5385.4 Ų85.455%0.54649%0.488SS..THydrogen-bonded Turntrans71.539.9-179.700000113.2F295 R296 Q297 K302F295-G299 PolarHBondContact O-N 3.35Å; R296-G299 PolarHBondContact O-N 3.02Å; Q297-G299 PolarHBondContact O-N 3.19Å; G299-K302 PolarHBondContact O-NZ 3.42Å
300G92.3Very high92.2Very high32 Ų3286.7 Ų86.733%0.3350%0.497SS..SBendtrans86.7178.6176.900000114.9F295F295-G300 VanDerWaalsContact O-CA 3.29Å; F295-G300 WeakPolarHBondContact O-CA 3.26Å; F295-G300 PolarHBondContact O-N 3.33Å
301V93.2Very high92.2Very high60 Ų6085 Ų8536%0.36449%0.492SS..  trans-70.2126.3175.6178.10000109.6A289 F295 L304A289-V301 HydrophobicContact CB-CG2 3.28Å; F295-V301 HydrophobicContact CD1-CG2 4.17Å; F295-V301 HydrophobicContact CG-CG2 4.42Å; V301-L304 HydrophobicContact CG1-CD2 3.72Å; V301-L304 HydrophobicContact CG1-CG 3.99Å
302K93.8Very high92.2Very high168 Ų16881.8 Ų81.873%0.7348%0.481SS*.  trans-92.9-19.7-179.2-57.8-54-174.5-168.40114.1C298 G299C298-K302 VanDerWaalsContact O-CE 3.29Å; C298-K302 WeakPolarHBondContact O-CE 3.47Å; G299-K302 PolarHBondContact O-NZ 3.42Å
303G94.4Very high92.3Very high62 Ų6283.1 Ų83.164%0.63949%0.49SS*.  trans179.7155.5-178.800000110.9
304L94Very high92.3Very high99 Ų9983.1 Ų83.152%0.51849%0.489SS..  trans-126148.1179.7-64.7173.2000108.9A286 V301 I314A286-L304 HydrophobicContact CB-CD1 3.84Å; A286-L304 HydrophobicContact CB-CD2 3.86Å; V301-L304 HydrophobicContact CG1-CD2 3.72Å; V301-L304 HydrophobicContact CG1-CG 3.99Å; L304-I314 HydrophobicContact CB-CD1 3.86Å; L304-I314 HydrophobicContact CD1-CD1 4.16Å; L304-I314 HydrophobicContact CD1-CG1 4.09Å; L304-I314 HydrophobicContact CD2-CD1 4.18Å; L304-I314 HydrophobicContact CG-CD1 4.29Å
305A94.5Very high92.4Very high88 Ų8882.6 Ų82.673%0.72749%0.494SS*.  trans-144.5145.9179.900000110.9
306R93.5Very high92.2Very high89 Ų8992.5 Ų92.534%0.33653%0.529SS..  trans-139.6162.8172.861.7168.4174.287.56.2110.5S310 I314 D315R306-S310 PolarHBondContact NH1-O 2.86Å; R306-I314 HydrophobicContact CB-CG2 4.28Å; R306-I314 HydrophobicContact CG-CG2 4.1Å; R306-D315 IonicContact CZ-OD1 2.83Å; R306-D315 IonicContact CZ-OD2 3.93Å; R306-D315 IonicContact NE-OD1 3.45Å; R306-D315 PolarHBondContact NE-OD1 3.4Å; R306-D315 IonicContact NE-OD2 3.3Å; R306-D315 IonicContact NH2-OD1 2.88Å; R306-D315 PolarHBondContact NH2-OD1 3.35Å; R306-D315 IonicContact NH2-OD2 3.87Å; R306-D315 PolarHBondContact NH2-OD2 3.35Å
307T92.1Very high92.2Very high91 Ų9189.9 Ų89.956%0.55853%0.528SS*.  trans-71.5151.9170.277.50000110A309 S310T307-A309 PolarHBondContact O-N 2.6Å; T307-A309 VanDerWaalsContact O-N 3.16Å; T307-S310 WeakPolarHBondContact O-CB 3.21Å; T307-S310 PolarHBondContact O-N 3.35Å; T307-S310 PolarHBondContact OG1-N 3.36Å; T307-S310 PolarHBondContact OG1-OG 3.16Å
308V93.1Very high92.2Very high145 Ų14586.5 Ų86.588%0.87952%0.518SS*.THydrogen-bonded Turntrans-57.8-30.7178.3690000112.5
309A92Very high92.3Very high90 Ų9087.9 Ų87.974%0.74452%0.524SS*.THydrogen-bonded Turntrans-80.9-12.7179.300000113.7T307T307-A309 PolarHBondContact O-N 2.6Å; T307-A309 VanDerWaalsContact O-N 3.16Å
310S88.4Confident92.3Very high33 Ų3389.9 Ų89.923%0.23152%0.522CS..SBendtrans-77.2132.6177.2-61.30000110.4R306 T307R306-S310 PolarHBondContact NH1-O 2.86Å; T307-S310 WeakPolarHBondContact O-CB 3.21Å; T307-S310 PolarHBondContact O-N 3.35Å; T307-S310 PolarHBondContact OG1-N 3.36Å; T307-S310 PolarHBondContact OG1-OG 3.16Å
311P90.7Very high92.3Very high69 Ų6993.6 Ų93.645%0.44853%0.534SS..  trans-43.2144.9167.2-31.129.7000114.2T279 N313T279-P311 HydrophobicContact CG2-CB 4.01Å; T279-P311 VanDerWaalsContact CG2-CD 3.44Å; T279-P311 HydrophobicContact CG2-CG 3.91Å; P311-N313 PolarHBondContact O-N 3.49Å
312A92Very high92.2Very high43 Ų4395.8 Ų95.836%0.35555%0.546SS..G310 helixtrans-80.826.2-173.500000114.2I314 D315A312-I314 PolarHBondContact O-N 2.96Å; A312-D315 HydrophobicContact CB-CB 4.27Å; A312-D315 WeakPolarHBondContact O-CB 3.43Å; A312-D315 PolarHBondContact O-N 3.43Å
313N91.5Very high92.1Very high68 Ų6890.6 Ų90.636%0.36453%0.532SS..G310 helixtrans-67.7-26.8-174.5-62.7-9.9000112.2D280 A283 P311 D315D280-N313 PolarHBondContact OD1-ND2 2.79Å; A283-N313 HydrophobicContact CB-CB 4.32Å; P311-N313 PolarHBondContact O-N 3.49Å; N313-D315 VanDerWaalsContact C-N 3.31Å
314I92.2Very high91.9Very high17 Ų1792.8 Ų92.89%0.08752%0.524CS..G310 helixtrans-76.7-15.5173.8-158.9-169.7000113.3L282 A283 A286 L304 R306 A312 R316L282-I314 HydrophobicContact CD1-CD1 4.28Å; L282-I314 HydrophobicContact CD2-CD1 3.63Å; L282-I314 HydrophobicContact CG-CD1 3.57Å; L282-I314 HydrophobicContact CG-CG1 4.3Å; A283-I314 HydrophobicContact CB-CB 4.48Å; A286-I314 HydrophobicContact CB-CD1 4.48Å; A286-I314 HydrophobicContact CB-CG1 4.14Å; L304-I314 HydrophobicContact CB-CD1 3.86Å; L304-I314 HydrophobicContact CD1-CD1 4.16Å; L304-I314 HydrophobicContact CD1-CG1 4.09Å; L304-I314 HydrophobicContact CD2-CD1 4.18Å; L304-I314 HydrophobicContact CG-CD1 4.29Å; R306-I314 HydrophobicContact CB-CG2 4.28Å; R306-I314 HydrophobicContact CG-CG2 4.1Å; A312-I314 PolarHBondContact O-N 2.96Å; I314-R316 PolarHBondContact O-N 3.49Å
315D92.7Very high91.8Very high97 Ų9792.3 Ų92.352%0.51953%0.525SS..G310 helixtrans-80.4-10.5-179.9-54.724.8000111.3R306 A312 N313R306-D315 IonicContact CZ-OD1 2.83Å; R306-D315 IonicContact CZ-OD2 3.93Å; R306-D315 IonicContact NE-OD1 3.45Å; R306-D315 PolarHBondContact NE-OD1 3.4Å; R306-D315 IonicContact NE-OD2 3.3Å; R306-D315 IonicContact NH2-OD1 2.88Å; R306-D315 PolarHBondContact NH2-OD1 3.35Å; R306-D315 IonicContact NH2-OD2 3.87Å; R306-D315 PolarHBondContact NH2-OD2 3.35Å; A312-D315 HydrophobicContact CB-CB 4.27Å; A312-D315 WeakPolarHBondContact O-CB 3.43Å; A312-D315 PolarHBondContact O-N 3.43Å; N313-D315 VanDerWaalsContact C-N 3.31Å
316R88.4Confident91.5Very high278 Ų27892.7 Ų92.7100%1.04951%0.506SS*.  trans-92.30178.9-60.4-62-172175.60.5110.5I314I314-R316 PolarHBondContact O-N 3.49Å

Retrieved 316 of 316 residues in 157.9 ms (Link to these results)

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