A0A077ZCP5_TRITR Loading...

Mothers against decapentaplegic homolog

AlphaFold DB , UniProt , Accession A0A077ZCP5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 411 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
1M49.4Very low77.7Confident202 Ų202107.5 Ų107.5100%0.99552%0.518SS*.  0-52.60-88.3177.5177.700110.7D3 R4M1-D3 VanDerWaalsContact C-N 3.29Å; M1-D3 PolarHBondContact O-N 3.1Å; M1-D3 VanDerWaalsContact O-N 3.15Å; M1-R4 PolarHBondContact O-N 3.24Å
2V54.8Low79.1Confident105 Ų105108.6 Ų108.664%0.63652%0.522SS*.Hα-helixtrans-48.2-43.9-179.4-173.60000114.1R4 D5 E6V2-R4 VanDerWaalsContact C-N 3.32Å; V2-R4 PolarHBondContact O-N 2.69Å; V2-D5 PolarHBondContact O-N 3.41Å; V2-E6 PolarHBondContact O-N 2.91Å
3D64.1Low80.3Confident128 Ų128108.9 Ų108.968%0.68452%0.52SS*.Hα-helixtrans-65.8-30.4-179.1-65-35.6000114.2M1 E7M1-D3 VanDerWaalsContact C-N 3.29Å; M1-D3 PolarHBondContact O-N 3.1Å; M1-D3 VanDerWaalsContact O-N 3.15Å; D3-E7 WeakPolarHBondContact O-CB 3.42Å; D3-E7 PolarHBondContact O-N 2.85Å; D3-E7 VanDerWaalsContact O-N 3.13Å
4R71.9Confident81.4Confident188 Ų188101.1 Ų101.171%0.70948%0.483SS*.Hα-helixtrans-71.2-41.9179.5-73.2-170.5-177-158.50.6111M1 V2 E6 E7 E8M1-R4 PolarHBondContact O-N 3.24Å; V2-R4 VanDerWaalsContact C-N 3.32Å; V2-R4 PolarHBondContact O-N 2.69Å; R4-E6 VanDerWaalsContact C-N 3.3Å; R4-E6 PolarHBondContact O-N 2.72Å; R4-E7 PolarHBondContact O-N 2.68Å; R4-E7 VanDerWaalsContact O-N 3.15Å; R4-E8 WeakPolarHBondContact O-CG 3.47Å; R4-E8 PolarHBondContact O-N 3.41Å
5D79.6Confident82.4Confident87 Ų8797.8 Ų97.847%0.46547%0.468SS..Hα-helixtrans-64.2-36.8179.3-60.4-6.1000111.6V2 K9V2-D5 PolarHBondContact O-N 3.41Å; D5-K9 VanDerWaalsContact O-CG 3.29Å; D5-K9 WeakPolarHBondContact O-CG 3.22Å; D5-K9 PolarHBondContact O-N 2.72Å; D5-K9 VanDerWaalsContact O-N 3.15Å
6E84.2Confident83.2Confident110 Ų11097.7 Ų97.751%0.51447%0.471SS..Hα-helixtrans-67.6-39.2174-70-160.3166.600112.4V2 R4 W10V2-E6 PolarHBondContact O-N 2.91Å; R4-E6 VanDerWaalsContact C-N 3.3Å; R4-E6 PolarHBondContact O-N 2.72Å; E6-W10 WeakPolarHBondContact O-CB 3.27Å; E6-W10 PolarHBondContact O-N 2.69Å
7E85.6Confident83.9Confident63 Ų6393.9 Ų93.929%0.29446%0.457SS..Hα-helixtrans-67.7-41.7178.2-176.6156.3-134.900112D3 R4 W10 A11 R71D3-E7 WeakPolarHBondContact O-CB 3.42Å; D3-E7 PolarHBondContact O-N 2.85Å; D3-E7 VanDerWaalsContact O-N 3.13Å; R4-E7 PolarHBondContact O-N 2.68Å; R4-E7 VanDerWaalsContact O-N 3.15Å; E7-W10 PolarHBondContact O-N 2.73Å; E7-A11 PolarHBondContact O-N 2.82Å; E7-R71 IonicContact OE1-CZ 3.55Å; E7-R71 IonicContact OE1-NE 3.91Å; E7-R71 PolarHBondContact OE1-NE 2.86Å; E7-R71 IonicContact OE1-NH1 2.79Å; E7-R71 IonicContact OE1-NH2 2.62Å; E7-R71 PolarHBondContact OE1-NH2 3.48Å; E7-R71 IonicContact OE2-NH2 4Å
8E88.5Confident84.6Confident121 Ų12188.7 Ų88.757%0.56543%0.432SS*.Hα-helixtrans-61.5-47.8174.7-74.4177.5-172.900111.5R4 W10 A11 E12R4-E8 WeakPolarHBondContact O-CG 3.47Å; R4-E8 PolarHBondContact O-N 3.41Å; E8-W10 PolarHBondContact O-N 2.74Å; E8-A11 WeakPolarHBondContact O-CB 3.45Å; E8-A11 PolarHBondContact O-N 2.81Å; E8-E12 WeakPolarHBondContact O-CG 3.38Å; E8-E12 PolarHBondContact O-N 2.79Å
9K91.2Very high85.2Confident127 Ų12786.1 Ų86.155%0.55242%0.421SS*.Hα-helixtrans-60-33.7174.4-73.5172-174.7170.60112.7D5 K13D5-K9 VanDerWaalsContact O-CG 3.29Å; D5-K9 WeakPolarHBondContact O-CG 3.22Å; D5-K9 PolarHBondContact O-N 2.72Å; D5-K9 VanDerWaalsContact O-N 3.15Å; K9-K13 WeakPolarHBondContact O-CG 3.44Å; K9-K13 PolarHBondContact O-N 2.67Å
10W91.5Very high85.6Confident31 Ų3189.3 Ų89.312%0.11743%0.433CS..Hα-helixtrans-72-39.9175.3-177.187000111.5E6 E7 E8 K13 A14 V58 R61 I68E6-W10 WeakPolarHBondContact O-CB 3.27Å; E6-W10 PolarHBondContact O-N 2.69Å; E7-W10 PolarHBondContact O-N 2.73Å; E8-W10 PolarHBondContact O-N 2.74Å; W10-K13 PolarHBondContact O-N 2.67Å; W10-A14 HydrophobicContact CZ3-CB 4.45Å; W10-A14 PolarHBondContact O-N 3.36Å; W10-V58 HydrophobicContact CZ2-CB 3.81Å; W10-V58 HydrophobicContact CZ2-CG1 4.3Å; W10-V58 HydrophobicContact CZ2-CG2 4.36Å; W10-V58 PolarHBondContact NE1-O 2.67Å; W10-R61 HydrophobicContact CZ2-CB 3.92Å; W10-I68 HydrophobicContact CH2-CB 4.38Å; W10-I68 HydrophobicContact CH2-CD1 4.15Å; W10-I68 HydrophobicContact CH2-CG1 3.99Å; W10-I68 HydrophobicContact CH2-CG2 3.64Å; W10-I68 HydrophobicContact CZ3-CG2 4.02Å
11A93.9Very high86Confident20 Ų2088.6 Ų88.617%0.16543%0.427CS..Hα-helixtrans-61.1-43.7175.300000111.8E7 E8 K13 A14 I15 V72E7-A11 PolarHBondContact O-N 2.82Å; E8-A11 WeakPolarHBondContact O-CB 3.45Å; E8-A11 PolarHBondContact O-N 2.81Å; A11-K13 VanDerWaalsContact C-N 3.35Å; A11-K13 PolarHBondContact O-N 2.76Å; A11-A14 WeakPolarHBondContact O-CA 3.33Å; A11-A14 WeakPolarHBondContact O-CB 3.29Å; A11-A14 PolarHBondContact O-N 3.08Å; A11-I15 WeakPolarHBondContact O-CG1 3.45Å; A11-I15 PolarHBondContact O-N 3.33Å; A11-V72 HydrophobicContact CB-CG1 4.36Å; A11-V72 HydrophobicContact CB-CG2 3.91Å
12E94.7Very high88.3Confident121 Ų12179 Ų7957%0.56538%0.381SS*.Hα-helixtrans-55.8-47.8173.9-71.7177.5169.800111.7E8 A14 I15 D16E8-E12 WeakPolarHBondContact O-CG 3.38Å; E8-E12 PolarHBondContact O-N 2.79Å; E12-A14 VanDerWaalsContact C-N 3.27Å; E12-A14 PolarHBondContact O-N 3.45Å; E12-I15 PolarHBondContact O-N 2.92Å; E12-I15 VanDerWaalsContact O-N 3.15Å; E12-D16 PolarHBondContact O-N 3.19Å
13K94.6Very high90.2Very high113 Ų11381.3 Ų81.349%0.49138%0.382SS..Hα-helixtrans-61.3-35.4175.6-70.2173.2-176.9173.20112.5K9 W10 A11 S17 V58K9-K13 WeakPolarHBondContact O-CG 3.44Å; K9-K13 PolarHBondContact O-N 2.67Å; W10-K13 PolarHBondContact O-N 2.67Å; A11-K13 VanDerWaalsContact C-N 3.35Å; A11-K13 PolarHBondContact O-N 2.76Å; K13-S17 VanDerWaalsContact O-CB 3.3Å; K13-S17 WeakPolarHBondContact O-CB 3.39Å; K13-S17 PolarHBondContact O-N 3.17Å; K13-V58 HydrophobicContact CB-CG1 4.14Å
14A95.4Very high91.5Very high0 Ų084.1 Ų84.10%039%0.388CS..Hα-helixtrans-67-40.6176.500000111.5W10 A11 E12 L18 V58 I68 Y69W10-A14 HydrophobicContact CZ3-CB 4.45Å; W10-A14 PolarHBondContact O-N 3.36Å; A11-A14 WeakPolarHBondContact O-CA 3.33Å; A11-A14 WeakPolarHBondContact O-CB 3.29Å; A11-A14 PolarHBondContact O-N 3.08Å; E12-A14 VanDerWaalsContact C-N 3.27Å; E12-A14 PolarHBondContact O-N 3.45Å; A14-L18 WeakPolarHBondContact O-CB 3.37Å; A14-L18 PolarHBondContact O-N 2.69Å; A14-V58 HydrophobicContact CB-CB 4.48Å; A14-V58 HydrophobicContact CB-CG1 3.86Å; A14-V58 HydrophobicContact CB-CG2 4.1Å; A14-I68 HydrophobicContact CB-CG2 4.14Å; A14-Y69 HydrophobicContact CB-CE1 4.31Å; A14-Y69 WeakPolarHBondContact O-CE1 3.38Å; A14-Y69 PolarHBondContact O-OH 2.85Å; A14-Y69 VanDerWaalsContact O-OH 3.06Å
15I96.7Very high92.4Very high51 Ų5180.4 Ų80.426%0.26237%0.374SS..Hα-helixtrans-66.2-48.8176.1-65.7163.7000110.2A11 E12 S17 L18 V19 V72 W73A11-I15 WeakPolarHBondContact O-CG1 3.45Å; A11-I15 PolarHBondContact O-N 3.33Å; E12-I15 PolarHBondContact O-N 2.92Å; E12-I15 VanDerWaalsContact O-N 3.15Å; I15-S17 VanDerWaalsContact C-N 3.3Å; I15-S17 PolarHBondContact O-N 2.92Å; I15-L18 CarbonylContact O-C 3.58Å; I15-L18 WeakPolarHBondContact O-CA 3.47Å; I15-L18 VanDerWaalsContact O-CB 3.31Å; I15-L18 WeakPolarHBondContact O-CB 3.43Å; I15-L18 PolarHBondContact O-N 3.06Å; I15-V19 HydrophobicContact CG2-CG2 4.21Å; I15-V19 WeakPolarHBondContact O-CG2 3.45Å; I15-V19 PolarHBondContact O-N 2.97Å; I15-V72 HydrophobicContact CD1-CG1 3.74Å; I15-V72 HydrophobicContact CG1-CG1 3.98Å; I15-W73 HydrophobicContact CD1-CZ2 4.22Å; I15-W73 HydrophobicContact CG1-CH2 4.13Å; I15-W73 HydrophobicContact CG1-CZ2 3.73Å; I15-W73 HydrophobicContact CG2-CZ2 4.34Å
16D95.8Very high92.9Very high96 Ų9686.5 Ų86.551%0.51340%0.396SS..Hα-helixtrans-58.3-42.7177.8-80-16.9000112.4E12 L18 V19 K20E12-D16 PolarHBondContact O-N 3.19Å; D16-L18 VanDerWaalsContact C-N 3.31Å; D16-V19 PolarHBondContact O-N 3.22Å; D16-K20 WeakPolarHBondContact O-CG 3.46Å; D16-K20 PolarHBondContact O-N 3.35Å; D16-K20 VanDerWaalsContact O-N 3.13Å
17S94Very high93.4Very high34 Ų3482.4 Ų82.424%0.23838%0.383CS..Hα-helixtrans-62.6-39.6174.5-173.90000111.5K13 I15 K21K13-S17 VanDerWaalsContact O-CB 3.3Å; K13-S17 WeakPolarHBondContact O-CB 3.39Å; K13-S17 PolarHBondContact O-N 3.17Å; I15-S17 VanDerWaalsContact C-N 3.3Å; I15-S17 PolarHBondContact O-N 2.92Å; S17-K21 WeakPolarHBondContact O-CG 3.46Å; S17-K21 PolarHBondContact O-N 3.32Å
18L96.3Very high93.8Very high0 Ų079.7 Ų79.70%037%0.372CS..Hα-helixtrans-65.4-50.1176.2-173.862.9000111.7A14 I15 D16 K20 K21 L22 L32 I48 Y69 W73 I103A14-L18 WeakPolarHBondContact O-CB 3.37Å; A14-L18 PolarHBondContact O-N 2.69Å; I15-L18 CarbonylContact O-C 3.58Å; I15-L18 WeakPolarHBondContact O-CA 3.47Å; I15-L18 VanDerWaalsContact O-CB 3.31Å; I15-L18 WeakPolarHBondContact O-CB 3.43Å; I15-L18 PolarHBondContact O-N 3.06Å; D16-L18 VanDerWaalsContact C-N 3.31Å; L18-K20 VanDerWaalsContact C-N 3.25Å; L18-K20 PolarHBondContact O-N 3.28Å; L18-K21 CarbonylContact O-C 3.56Å; L18-K21 WeakPolarHBondContact O-CA 3.27Å; L18-K21 WeakPolarHBondContact O-CB 3.39Å; L18-K21 PolarHBondContact O-N 3.29Å; L18-L22 HydrophobicContact CD1-CD1 4.14Å; L18-L22 HydrophobicContact CD1-CD2 4.28Å; L18-L22 HydrophobicContact CD1-CG 3.99Å; L18-L22 HydrophobicContact CD2-CD1 3.98Å; L18-L22 HydrophobicContact CG-CD1 3.74Å; L18-L22 HydrophobicContact CG-CG 3.95Å; L18-L22 WeakPolarHBondContact O-CG 3.31Å; L18-L22 PolarHBondContact O-N 3.4Å; L18-L32 HydrophobicContact CD2-CD2 3.65Å; L18-I48 HydrophobicContact CD1-CG2 3.68Å; L18-Y69 HydrophobicContact CB-CE1 3.77Å; L18-Y69 WeakPolarHBondContact CB-OH 3.41Å; L18-Y69 HydrophobicContact CD1-CE1 4.41Å; L18-Y69 HydrophobicContact CD1-CE2 3.85Å; L18-Y69 HydrophobicContact CD2-CD1 3.97Å; L18-Y69 HydrophobicContact CD2-CE1 3.77Å; L18-Y69 HydrophobicContact CD2-CE2 4.41Å; L18-Y69 HydrophobicContact CD2-CG 4.38Å; L18-Y69 HydrophobicContact CG-CE1 4.17Å; L18-Y69 HydrophobicContact CG-CE2 4.48Å; L18-W73 HydrophobicContact CD2-CH2 3.5Å; L18-W73 VanDerWaalsContact CD2-CH2 3.5Å; L18-W73 HydrophobicContact CD2-CZ3 3.85Å; L18-I103 HydrophobicContact CD1-CD1 3.81Å; L18-I103 HydrophobicContact CD1-CG1 3.99Å; L18-I103 HydrophobicContact CD2-CD1 3.67Å; L18-I103 HydrophobicContact CG-CD1 4.32Å
19V96.2Very high94.2Very high38 Ų3875.3 Ų75.323%0.2335%0.352CS..Hα-helixtrans-57.3-42.2-178171.20000110.2I15 D16 K21 L22 K23 L29I15-V19 HydrophobicContact CG2-CG2 4.21Å; I15-V19 WeakPolarHBondContact O-CG2 3.45Å; I15-V19 PolarHBondContact O-N 2.97Å; D16-V19 PolarHBondContact O-N 3.22Å; V19-K21 VanDerWaalsContact C-N 3.27Å; V19-K21 PolarHBondContact O-N 2.92Å; V19-L22 PolarHBondContact O-N 3.11Å; V19-K23 HydrophobicContact CG1-CD 4.13Å; V19-K23 HydrophobicContact CG1-CG 4.37Å; V19-K23 WeakPolarHBondContact O-CB 3.2Å; V19-K23 VanDerWaalsContact O-CG 3.3Å; V19-K23 WeakPolarHBondContact O-CG 3.14Å; V19-K23 PolarHBondContact O-N 3.26Å; V19-L29 HydrophobicContact CG1-CD1 4.41Å; V19-L29 HydrophobicContact CG1-CD2 4.37Å; V19-L29 HydrophobicContact CG2-CD1 4.14Å
20K94.4Very high94.5Very high151 Ų15173.9 Ų73.966%0.65735%0.347SS*.Hα-helixtrans-59.9-34.3173.9-72.9173.1-175.5174.30113.1D16 L18D16-K20 WeakPolarHBondContact O-CG 3.46Å; D16-K20 PolarHBondContact O-N 3.35Å; D16-K20 VanDerWaalsContact O-N 3.13Å; L18-K20 VanDerWaalsContact C-N 3.25Å; L18-K20 PolarHBondContact O-N 3.28Å
21K93.9Very high94.7Very high74 Ų7474 Ų7432%0.32235%0.35SS..Hα-helixtrans-76.3-44.6176.2-69.1176.3-177.8-168.70111.8S17 L18 V19 K23 K24S17-K21 WeakPolarHBondContact O-CG 3.46Å; S17-K21 PolarHBondContact O-N 3.32Å; L18-K21 CarbonylContact O-C 3.56Å; L18-K21 WeakPolarHBondContact O-CA 3.27Å; L18-K21 WeakPolarHBondContact O-CB 3.39Å; L18-K21 PolarHBondContact O-N 3.29Å; V19-K21 VanDerWaalsContact C-N 3.27Å; V19-K21 PolarHBondContact O-N 2.92Å; K21-K23 VanDerWaalsContact C-N 3.34Å; K21-K23 PolarHBondContact O-N 3.29Å; K21-K24 WeakPolarHBondContact O-CB 3.4Å; K21-K24 PolarHBondContact O-N 3.28Å; K21-K24 VanDerWaalsContact O-N 3.17Å
22L96.4Very high94.9Very high2 Ų273.4 Ų73.41%0.0134%0.344CS..Hα-helixtrans-67.9-33.2-178.6-64-177.4000112.2L18 V19 K24 R25 A28 L29 L32 V46 I48L18-L22 HydrophobicContact CD1-CD1 4.14Å; L18-L22 HydrophobicContact CD1-CD2 4.28Å; L18-L22 HydrophobicContact CD1-CG 3.99Å; L18-L22 HydrophobicContact CD2-CD1 3.98Å; L18-L22 HydrophobicContact CG-CD1 3.74Å; L18-L22 HydrophobicContact CG-CG 3.95Å; L18-L22 WeakPolarHBondContact O-CG 3.31Å; L18-L22 PolarHBondContact O-N 3.4Å; V19-L22 PolarHBondContact O-N 3.11Å; L22-K24 PolarHBondContact O-N 3.19Å; L22-R25 CarbonylContact O-C 3.56Å; L22-R25 PolarHBondContact O-N 2.88Å; L22-A28 HydrophobicContact CB-CB 4.38Å; L22-A28 HydrophobicContact CD2-CB 4.11Å; L22-L29 HydrophobicContact CB-CB 4.36Å; L22-L29 HydrophobicContact CD1-CD1 4.49Å; L22-L32 HydrophobicContact CD1-CB 4.24Å; L22-L32 HydrophobicContact CD1-CD2 3.54Å; L22-V46 HydrophobicContact CD1-CG1 3.87Å; L22-V46 HydrophobicContact CD2-CG1 3.72Å; L22-V46 HydrophobicContact CG-CG1 4.48Å; L22-I48 HydrophobicContact CD2-CG2 4.14Å
23K94.6Very high95Very high152 Ų15273 Ų7366%0.66134%0.342SS*.THydrogen-bonded Turntrans-58.2-18.6172.8-78.5180176.8-1770114.1V19 K21 R25 L29V19-K23 HydrophobicContact CG1-CD 4.13Å; V19-K23 HydrophobicContact CG1-CG 4.37Å; V19-K23 WeakPolarHBondContact O-CB 3.2Å; V19-K23 VanDerWaalsContact O-CG 3.3Å; V19-K23 WeakPolarHBondContact O-CG 3.14Å; V19-K23 PolarHBondContact O-N 3.26Å; K21-K23 VanDerWaalsContact C-N 3.34Å; K21-K23 PolarHBondContact O-N 3.29Å; K23-R25 VanDerWaalsContact C-N 3.31Å; K23-L29 HydrophobicContact CG-CD2 4.34Å
24K91.9Very high95.1Very high188 Ų18875.2 Ų75.282%0.81735%0.347SS*.THydrogen-bonded Turntrans-77.3-16174.3-59-176.1178.6-173.80113.2K21 L22K21-K24 WeakPolarHBondContact O-CB 3.4Å; K21-K24 PolarHBondContact O-N 3.28Å; K21-K24 VanDerWaalsContact O-N 3.17Å; L22-K24 PolarHBondContact O-N 3.19Å
25R90.2Very high95.1Very high110 Ų11075.3 Ų75.342%0.41535%0.348SS..SBendtrans-118.4112.9-179.3-175.4176.3-179.4150.80.1109.4L22 K23 G27 A28 T47 E100L22-R25 CarbonylContact O-C 3.56Å; L22-R25 PolarHBondContact O-N 2.88Å; K23-R25 VanDerWaalsContact C-N 3.31Å; R25-G27 PolarHBondContact O-N 3.46Å; R25-A28 HydrophobicContact CB-CB 3.91Å; R25-A28 HydrophobicContact CG-CB 3.97Å; R25-A28 WeakPolarHBondContact O-CB 3.37Å; R25-A28 PolarHBondContact O-N 2.87Å; R25-A28 VanDerWaalsContact O-N 3.17Å; R25-T47 PolarHBondContact NH1-OG1 3.37Å; R25-E100 IonicContact CZ-OE2 3.25Å; R25-E100 VanDerWaalsContact NH1-CD 3.25Å; R25-E100 IonicContact NH1-OE1 3.81Å; R25-E100 PolarHBondContact NH1-OE1 2.91Å; R25-E100 IonicContact NH1-OE2 2.82Å; R25-E100 PolarHBondContact NH1-OE2 3.4Å
26K91.6Very high95.1Very high215 Ų21575.1 Ų75.194%0.93535%0.348SS*.THydrogen-bonded Turntrans-55.6129.2-179.7-172.2176.4-179.4179.50110.9A28K26-A28 VanDerWaalsContact C-N 3.29Å; K26-A28 PolarHBondContact O-N 2.9Å
27G93.2Very high95.2Very high23 Ų2374 Ų7424%0.23735%0.351CS..THydrogen-bonded Turntrans85.5-14.817800000115.2R25 L29 E30 D31R25-G27 PolarHBondContact O-N 3.46Å; G27-L29 PolarHBondContact O-N 3.38Å; G27-E30 WeakPolarHBondContact CA-OE2 3.41Å; G27-E30 PolarHBondContact N-OE2 3.43Å; G27-E30 PolarHBondContact O-N 3.02Å; G27-D31 WeakPolarHBondContact O-CB 3.39Å; G27-D31 VanDerWaalsContact O-CG 3.23Å; G27-D31 PolarHBondContact O-N 3.16Å
28A95.5Very high95.3Very high6 Ų675.2 Ų75.25%0.0536%0.356CS..Hα-helixtrans-72.6-31.4-172.300000113.3L22 R25 K26 L32L22-A28 HydrophobicContact CB-CB 4.38Å; L22-A28 HydrophobicContact CD2-CB 4.11Å; R25-A28 HydrophobicContact CB-CB 3.91Å; R25-A28 HydrophobicContact CG-CB 3.97Å; R25-A28 WeakPolarHBondContact O-CB 3.37Å; R25-A28 PolarHBondContact O-N 2.87Å; R25-A28 VanDerWaalsContact O-N 3.17Å; K26-A28 VanDerWaalsContact C-N 3.29Å; K26-A28 PolarHBondContact O-N 2.9Å; A28-L32 PolarHBondContact O-N 3.14Å
29L96.1Very high95Very high29 Ų2979.1 Ų79.115%0.15238%0.381CS..Hα-helixtrans-71.7-43.9175.6-178.462.3000110.1V19 L22 K23 G27 D31 L32 E33V19-L29 HydrophobicContact CG1-CD1 4.41Å; V19-L29 HydrophobicContact CG1-CD2 4.37Å; V19-L29 HydrophobicContact CG2-CD1 4.14Å; L22-L29 HydrophobicContact CB-CB 4.36Å; L22-L29 HydrophobicContact CD1-CD1 4.49Å; K23-L29 HydrophobicContact CG-CD2 4.34Å; G27-L29 PolarHBondContact O-N 3.38Å; L29-D31 VanDerWaalsContact C-N 3.34Å; L29-D31 PolarHBondContact O-N 2.88Å; L29-L32 WeakPolarHBondContact O-CB 3.38Å; L29-L32 PolarHBondContact O-N 2.71Å; L29-L32 VanDerWaalsContact O-N 3.16Å; L29-E33 WeakPolarHBondContact O-CG 3.42Å; L29-E33 PolarHBondContact O-N 3.46Å
30E96.6Very high94.4Very high98 Ų9881 Ų8146%0.45841%0.408SS..Hα-helixtrans-65.4-37.3178.5-60.282.8171.800111.7G27 L32 R34G27-E30 WeakPolarHBondContact CA-OE2 3.41Å; G27-E30 PolarHBondContact N-OE2 3.43Å; G27-E30 PolarHBondContact O-N 3.02Å; E30-L32 VanDerWaalsContact C-N 3.35Å; E30-R34 VanDerWaalsContact O-CB 3.22Å; E30-R34 WeakPolarHBondContact O-CB 3.17Å; E30-R34 PolarHBondContact O-N 2.87Å
31D96.8Very high94.4Very high34 Ų3479.4 Ų79.418%0.18240%0.403CS..Hα-helixtrans-65.4-38.1173.4-76.4-23.9000111.4G27 L29 A35 V46G27-D31 WeakPolarHBondContact O-CB 3.39Å; G27-D31 VanDerWaalsContact O-CG 3.23Å; G27-D31 PolarHBondContact O-N 3.16Å; L29-D31 VanDerWaalsContact C-N 3.34Å; L29-D31 PolarHBondContact O-N 2.88Å; D31-A35 WeakPolarHBondContact O-CB 3.3Å; D31-A35 PolarHBondContact O-N 3.2Å; D31-V46 HydrophobicContact CB-CG2 4.19Å
32L97.2Very high94.4Very high6 Ų682.6 Ų82.63%0.03143%0.431CS..Hα-helixtrans-67.4-49.3174.3-17861.7000111.8L18 L22 A28 L29 E30 R34 A35 L36 V46 W73 I103L18-L32 HydrophobicContact CD2-CD2 3.65Å; L22-L32 HydrophobicContact CD1-CB 4.24Å; L22-L32 HydrophobicContact CD1-CD2 3.54Å; A28-L32 PolarHBondContact O-N 3.14Å; L29-L32 WeakPolarHBondContact O-CB 3.38Å; L29-L32 PolarHBondContact O-N 2.71Å; L29-L32 VanDerWaalsContact O-N 3.16Å; E30-L32 VanDerWaalsContact C-N 3.35Å; L32-R34 VanDerWaalsContact C-N 3.28Å; L32-R34 PolarHBondContact O-N 3.42Å; L32-A35 PolarHBondContact O-N 3.47Å; L32-A35 VanDerWaalsContact O-N 3.15Å; L32-L36 HydrophobicContact CD1-CD1 4.22Å; L32-L36 HydrophobicContact CD1-CG 4.19Å; L32-L36 HydrophobicContact CG-CD1 4Å; L32-L36 HydrophobicContact CG-CG 4.36Å; L32-L36 WeakPolarHBondContact O-CG 3.39Å; L32-L36 PolarHBondContact O-N 3.26Å; L32-V46 HydrophobicContact CB-CG1 4.06Å; L32-V46 HydrophobicContact CB-CG2 3.94Å; L32-V46 HydrophobicContact CD1-CG1 4.46Å; L32-V46 HydrophobicContact CD1-CG2 4.31Å; L32-W73 HydrophobicContact CD2-CH2 4.13Å; L32-I103 HydrophobicContact CD1-CD1 4.47Å; L32-I103 HydrophobicContact CD2-CD1 4.49Å
33E96.9Very high94.4Very high112 Ų11284 Ų8452%0.52344%0.441SS..Hα-helixtrans-57.2-43.5177.6-73.9174.3174.200111.1L29 A35 L36 A37L29-E33 WeakPolarHBondContact O-CG 3.42Å; L29-E33 PolarHBondContact O-N 3.46Å; E33-A35 PolarHBondContact O-N 3.16Å; E33-L36 PolarHBondContact O-N 2.91Å; E33-A37 VanDerWaalsContact O-CB 3.29Å; E33-A37 WeakPolarHBondContact O-CB 3.42Å; E33-A37 PolarHBondContact O-N 3.23Å
34R96.7Very high94.4Very high160 Ų16083.4 Ų83.460%0.60444%0.438SS*.Hα-helixtrans-62.1-43.5175.9-170.9-170.8-48.5-113.9-4.6112.2E30 L32 A37 N38E30-R34 VanDerWaalsContact O-CB 3.22Å; E30-R34 WeakPolarHBondContact O-CB 3.17Å; E30-R34 PolarHBondContact O-N 2.87Å; L32-R34 VanDerWaalsContact C-N 3.28Å; L32-R34 PolarHBondContact O-N 3.42Å; R34-A37 PolarHBondContact O-N 3.31Å; R34-N38 PolarHBondContact O-N 2.86Å; R34-N38 VanDerWaalsContact O-N 3.1Å; R34-N38 PolarHBondContact O-ND2 2.73Å
35A96.5Very high94.7Very high2 Ų275.7 Ų75.72%0.01741%0.408CS..Hα-helixtrans-63.5-44177.300000111.3D31 L32 E33 N38 Y106D31-A35 WeakPolarHBondContact O-CB 3.3Å; D31-A35 PolarHBondContact O-N 3.2Å; L32-A35 PolarHBondContact O-N 3.47Å; L32-A35 VanDerWaalsContact O-N 3.15Å; E33-A35 PolarHBondContact O-N 3.16Å; A35-N38 CarbonylContact O-C 3.52Å; A35-N38 PolarHBondContact O-N 2.92Å; A35-Y106 HydrophobicContact CB-CD2 4.21Å; A35-Y106 WeakPolarHBondContact O-CD2 3.2Å; A35-Y106 WeakPolarHBondContact O-CE2 3.3Å
36L96.7Very high95Very high47 Ų4770.5 Ų70.525%0.24639%0.389CS..Hα-helixtrans-63.7-40.2176.5-67.3176.7000112.8L32 E33 W73 P105 Y106L32-L36 HydrophobicContact CD1-CD1 4.22Å; L32-L36 HydrophobicContact CD1-CG 4.19Å; L32-L36 HydrophobicContact CG-CD1 4Å; L32-L36 HydrophobicContact CG-CG 4.36Å; L32-L36 WeakPolarHBondContact O-CG 3.39Å; L32-L36 PolarHBondContact O-N 3.26Å; E33-L36 PolarHBondContact O-N 2.91Å; L36-W73 HydrophobicContact CD1-CD2 4.21Å; L36-W73 HydrophobicContact CD1-CG 4.43Å; L36-W73 HydrophobicContact CD1-CZ2 4.14Å; L36-W73 HydrophobicContact CD2-CB 3.93Å; L36-W73 HydrophobicContact CD2-CD2 3.89Å; L36-W73 HydrophobicContact CD2-CG 3.55Å; L36-P105 HydrophobicContact CD2-CG 3.86Å; L36-Y106 HydrophobicContact CD2-CE2 4.2Å
37A97Very high95.3Very high72 Ų7260.6 Ų60.660%0.59535%0.346SS*.Hα-helixtrans-74.7-21.918000000114E33 R34 P39E33-A37 VanDerWaalsContact O-CB 3.29Å; E33-A37 WeakPolarHBondContact O-CB 3.42Å; E33-A37 PolarHBondContact O-N 3.23Å; R34-A37 PolarHBondContact O-N 3.31Å; A37-P39 VanDerWaalsContact C-CD 3.47Å; A37-P39 WeakPolarHBondContact O-CD 3.39Å
38N96Very high95.4Very high61 Ų6159.7 Ų59.733%0.32634%0.336SS..SBendtrans-125.667.9-176.5-56.9-83000112.1R34 A35 G40 Q41R34-N38 PolarHBondContact O-N 2.86Å; R34-N38 VanDerWaalsContact O-N 3.1Å; R34-N38 PolarHBondContact O-ND2 2.73Å; A35-N38 CarbonylContact O-C 3.52Å; A35-N38 PolarHBondContact O-N 2.92Å; N38-G40 PolarHBondContact O-N 3.15Å; N38-Q41 HydrophobicContact CB-CB 4.2Å; N38-Q41 HydrophobicContact CB-CG 4.2Å; N38-Q41 PolarHBondContact O-N 3.09Å
39P90.8Very high95.4Very high81 Ų8164.1 Ų64.153%0.52636%0.364SS..THydrogen-bonded Turntrans-55.7136.4177.5-19.629.9000111.8A37 Q41 Y106A37-P39 VanDerWaalsContact C-CD 3.47Å; A37-P39 WeakPolarHBondContact O-CD 3.39Å; P39-Q41 VanDerWaalsContact C-N 3.26Å; P39-Q41 PolarHBondContact O-N 3.4Å; P39-Y106 HydrophobicContact CB-CE1 3.76Å; P39-Y106 HydrophobicContact CG-CE1 4.49Å; P39-Y106 WeakPolarHBondContact CG-OH 3.29Å
40G83.9Confident95.3Very high78 Ų7865.3 Ų65.380%0.80437%0.366SS*.THydrogen-bonded Turntrans82.5-9.8177.200000115.4N38N38-G40 PolarHBondContact O-N 3.15Å
41Q93.8Very high95.1Very high118 Ų11862.8 Ų62.855%0.55136%0.36SS*.SBendtrans-84.5149.1171.2-63.7-173.415.600111.3N38 P39 S43N38-Q41 HydrophobicContact CB-CB 4.2Å; N38-Q41 HydrophobicContact CB-CG 4.2Å; N38-Q41 PolarHBondContact O-N 3.09Å; P39-Q41 VanDerWaalsContact C-N 3.26Å; P39-Q41 PolarHBondContact O-N 3.4Å; Q41-S43 PolarHBondContact O-N 2.86Å
42P94.4Very high94.6Very high140 Ų14070.3 Ų70.391%0.90940%0.399SS*.  trans-54.9131.5171.4-25.334.6000111.6
43S95.6Very high94Very high31 Ų3173.1 Ų73.122%0.21741%0.414CS..  trans-137.1160-179.5560000110.9Q41 N104 H107Q41-S43 PolarHBondContact O-N 2.86Å; S43-N104 PolarHBondContact OG-ND2 3.46Å; S43-H107 PolarHBondContact O-CE1 2.82Å; S43-H107 PolarHBondContact O-NE2 2.95Å
44K96Very high93.6Very high140 Ų14067.8 Ų67.861%0.60939%0.389SS*.  trans-78.2160.3179.4-66.5-179.1-177171.90112V46 N104 H107K44-V46 PolarHBondContact O-N 3.02Å; K44-N104 PolarHBondContact O-ND2 3.42Å; K44-H107 PolarHBondContact O-CE1 2.79Å; K44-H107 PolarHBondContact O-NE2 3.29Å
45C97.1Very high93.4Very high27 Ų2765.3 Ų65.318%0.18238%0.38CS..  trans-64129169.8-68.60000109.2T47 E91 Y92 H107C45-T47 HydrophobicContact CB-CG2 4.08Å; C45-E91 PolarHBondContact SG-N 3.35Å; C45-Y92 HydrophobicContact CB-CD2 3.83Å; C45-Y92 HydrophobicContact CB-CE2 4.41Å; C45-H107 WeakPolarHBondContact CA-CE1 3.22Å; C45-H107 PolarHBondContact N-CE1 3.18Å; C45-H107 PolarHBondContact SG-CE1 3.38Å; C45-H107 PolarHBondContact SG-ND1 3.38Å; C45-H107 VanDerWaalsContact SG-ND1 3.39Å
46V97.6Very high93.2Very high1 Ų165.8 Ų65.81%0.00638%0.382CS..  trans-105.9115.4168.3-179.70000106.3L22 D31 L32 K44 C102 I103 N104L22-V46 HydrophobicContact CD1-CG1 3.87Å; L22-V46 HydrophobicContact CD2-CG1 3.72Å; L22-V46 HydrophobicContact CG-CG1 4.48Å; D31-V46 HydrophobicContact CB-CG2 4.19Å; L32-V46 HydrophobicContact CB-CG1 4.06Å; L32-V46 HydrophobicContact CB-CG2 3.94Å; L32-V46 HydrophobicContact CD1-CG1 4.46Å; L32-V46 HydrophobicContact CD1-CG2 4.31Å; K44-V46 PolarHBondContact O-N 3.02Å; V46-C102 CarbonylContact O-C 3.58Å; V46-C102 VanDerWaalsContact O-CA 3.31Å; V46-C102 WeakPolarHBondContact O-CA 3.22Å; V46-I103 HydrophobicContact CB-CD1 4.08Å; V46-I103 HydrophobicContact CG1-CD1 3.51Å; V46-I103 HydrophobicContact CG1-CG1 4.26Å; V46-I103 PolarHBondContact O-N 2.91Å; V46-N104 HydrophobicContact CB-CB 4.06Å; V46-N104 HydrophobicContact CG2-CB 4.09Å
47T97.1Very high93Very high7 Ų768.8 Ų68.84%0.04340%0.395CS..EExtended strand (participates in β ladder)trans-118.4154.9-170.365.10000113.3R25 C45 Y92 E100 V101 C102R25-T47 PolarHBondContact NH1-OG1 3.37Å; C45-T47 HydrophobicContact CB-CG2 4.08Å; T47-Y92 HydrophobicContact CG2-CD1 4.2Å; T47-Y92 HydrophobicContact CG2-CD2 3.62Å; T47-Y92 HydrophobicContact CG2-CE2 4.31Å; T47-Y92 HydrophobicContact CG2-CG 3.59Å; T47-E100 HydrophobicContact CG2-CB 4.46Å; T47-E100 VanDerWaalsContact OG1-CD 3.32Å; T47-E100 PolarHBondContact OG1-OE1 3.11Å; T47-V101 CarbonylContact C-O 3.48Å; T47-V101 WeakPolarHBondContact CA-O 3.32Å; T47-C102 HydrophobicContact CG2-CB 4.48Å
48I96.1Very high92.8Very high4 Ų465.5 Ų65.52%0.02137%0.367CS..EExtended strand (participates in β ladder)trans-127.6157165.964171.6000110.3L18 L22 R50 L56 P65 E100 V101 I103L18-I48 HydrophobicContact CD1-CG2 3.68Å; L22-I48 HydrophobicContact CD2-CG2 4.14Å; I48-R50 PolarHBondContact O-N 3.42Å; I48-L56 HydrophobicContact CD1-CD2 4.42Å; I48-P65 HydrophobicContact CD1-CB 3.76Å; I48-P65 HydrophobicContact CD1-CG 4.15Å; I48-E100 WeakPolarHBondContact O-CA 3.48Å; I48-V101 HydrophobicContact CD1-CG1 4.41Å; I48-V101 HydrophobicContact CG1-CG1 3.67Å; I48-V101 PolarHBondContact N-O 3.27Å; I48-V101 PolarHBondContact O-N 3.45Å; I48-I103 HydrophobicContact CD1-CG2 4.07Å; I48-I103 HydrophobicContact CG1-CG2 3.96Å; I48-I103 HydrophobicContact CG2-CG1 4.15Å
49P95.2Very high92.5Very high98 Ų9865.6 Ų65.664%0.63637%0.373SS*.EExtended strand (participates in β ladder)trans-58.4134.5173.8-2534.6000112.1
50R94.3Very high92.2Very high55 Ų5568.4 Ų68.421%0.20838%0.379CS..PPolyproline II helixtrans-75.4127.8174.4-165.2175.7-153.8-95.84.8109.1I48 F94 Q98 K99I48-R50 PolarHBondContact O-N 3.42Å; R50-F94 VanDerWaalsContact NH2-CZ 3.27Å; R50-Q98 WeakPolarHBondContact CD-O 3.47Å; R50-K99 WeakPolarHBondContact CB-O 3.31Å; R50-K99 PolarHBondContact N-O 3Å
51S92.3Very high92.3Very high45 Ų4569 Ų6932%0.31536%0.357SS..PPolyproline II helixtrans-71.3166.3171.254.70000111.2D53 G54 R55S51-D53 PolarHBondContact O-N 3.4Å; S51-D53 PolarHBondContact OG-OD1 2.96Å; S51-G54 PolarHBondContact O-N 2.8Å; S51-G54 WeakPolarHBondContact OG-CA 3.48Å; S51-G54 PolarHBondContact OG-N 2.95Å; S51-G54 VanDerWaalsContact OG-N 3.16Å; S51-R55 PolarHBondContact OG-N 2.93Å; S51-R55 PolarHBondContact OG-O 2.82Å
52L86.3Confident92.1Very high192 Ų19269.5 Ų69.5100%1.00536%0.357SS*.THydrogen-bonded Turntrans-55.2-39.4179.7-67.6173.8000112.8
53D84.6Confident91.9Very high64 Ų6463.8 Ų63.834%0.34232%0.324SS..THydrogen-bonded Turntrans-993.917871-15.1000113.3S51 R55S51-D53 PolarHBondContact O-N 3.4Å; S51-D53 PolarHBondContact OG-OD1 2.96Å; D53-R55 PolarHBondContact O-N 3.03Å; D53-R55 PolarHBondContact OD1-N 2.98Å; D53-R55 VanDerWaalsContact OD1-N 3.09Å; D53-R55 IonicContact OD2-CZ 2.75Å; D53-R55 IonicContact OD2-NE 2.95Å; D53-R55 PolarHBondContact OD2-NE 3.25Å; D53-R55 IonicContact OD2-NH2 3.82Å; D53-R55 PolarHBondContact OD2-NH2 3.12Å
54G88.3Confident91.8Very high1 Ų163.9 Ų63.91%0.0132%0.321CS..SBendtrans72.5-1.5-178.500000115.8S51 P65S51-G54 PolarHBondContact O-N 2.8Å; S51-G54 WeakPolarHBondContact OG-CA 3.48Å; S51-G54 PolarHBondContact OG-N 2.95Å; S51-G54 VanDerWaalsContact OG-N 3.16Å; G54-P65 WeakPolarHBondContact O-CD 3.31Å
55R91.2Very high91.8Very high108 Ų10857.4 Ų57.441%0.40829%0.294SS..PPolyproline II helixtrans-96.6143.3-178.9-63.1179.1-61-171.9-3.6112.4S51 D53 G63 L64S51-R55 PolarHBondContact OG-N 2.93Å; S51-R55 PolarHBondContact OG-O 2.82Å; D53-R55 PolarHBondContact O-N 3.03Å; D53-R55 PolarHBondContact OD1-N 2.98Å; D53-R55 VanDerWaalsContact OD1-N 3.09Å; D53-R55 IonicContact OD2-CZ 2.75Å; D53-R55 IonicContact OD2-NE 2.95Å; D53-R55 PolarHBondContact OD2-NE 3.25Å; D53-R55 IonicContact OD2-NH2 3.82Å; D53-R55 PolarHBondContact OD2-NH2 3.12Å; R55-G63 CarbonylContact C-O 3.58Å; R55-G63 WeakPolarHBondContact CA-O 3.32Å; R55-L64 HydrophobicContact CG-CD2 4.09Å
56L93.4Very high91.7Very high12 Ų1256.4 Ų56.46%0.06329%0.287CS..EExtended strand (participates in β ladder)trans-99131171.3173.461.9000110.1I48 V58 K62 G63 P65 I68 Y69I48-L56 HydrophobicContact CD1-CD2 4.42Å; L56-V58 HydrophobicContact CD2-CG2 4.08Å; L56-V58 HydrophobicContact CG-CG2 3.99Å; L56-K62 WeakPolarHBondContact O-CA 3.13Å; L56-G63 PolarHBondContact N-O 2.62Å; L56-G63 PolarHBondContact O-N 3.1Å; L56-P65 HydrophobicContact CB-CB 4.34Å; L56-P65 HydrophobicContact CB-CG 3.88Å; L56-P65 HydrophobicContact CD2-CB 4.46Å; L56-I68 HydrophobicContact CB-CD1 4.3Å; L56-I68 HydrophobicContact CD2-CD1 4.36Å; L56-I68 HydrophobicContact CG-CD1 4.46Å; L56-Y69 HydrophobicContact CD2-CE2 3.72Å; L56-Y69 WeakPolarHBondContact CD2-OH 3.31Å
57Q92.8Very high91.6Very high109 Ų10957.3 Ų57.351%0.50929%0.292SS..EExtended strand (participates in β ladder)trans-93.9127.2169.1-171.7170.9-16.400110.6S59 R61 K62Q57-S59 WeakPolarHBondContact CG-O 3.38Å; Q57-S59 PolarHBondContact NE2-O 2.74Å; Q57-S59 VanDerWaalsContact NE2-O 3.12Å; Q57-R61 WeakPolarHBondContact CA-O 3.35Å; Q57-K62 HydrophobicContact CB-CG 3.9Å; Q57-K62 HydrophobicContact CG-CG 3.88Å
58V91.9Very high91.6Very high4 Ų457.6 Ų57.62%0.02429%0.293CS..EExtended strand (participates in β ladder)trans-126.3113.8170.7-1780000107.9W10 K13 A14 L56 H60 R61W10-V58 HydrophobicContact CZ2-CB 3.81Å; W10-V58 HydrophobicContact CZ2-CG1 4.3Å; W10-V58 HydrophobicContact CZ2-CG2 4.36Å; W10-V58 PolarHBondContact NE1-O 2.67Å; K13-V58 HydrophobicContact CB-CG1 4.14Å; A14-V58 HydrophobicContact CB-CB 4.48Å; A14-V58 HydrophobicContact CB-CG1 3.86Å; A14-V58 HydrophobicContact CB-CG2 4.1Å; L56-V58 HydrophobicContact CD2-CG2 4.08Å; L56-V58 HydrophobicContact CG-CG2 3.99Å; V58-H60 PolarHBondContact O-N 2.99Å; V58-R61 PolarHBondContact N-O 3.19Å; V58-R61 PolarHBondContact O-N 3.34Å
59S89.3Confident91.6Very high63 Ų6357.4 Ų57.444%0.44129%0.292SS..THydrogen-bonded Turntrans53.6-123.4-171.5-173.10000110.8Q57Q57-S59 WeakPolarHBondContact CG-O 3.38Å; Q57-S59 PolarHBondContact NE2-O 2.74Å; Q57-S59 VanDerWaalsContact NE2-O 3.12Å
60H84.4Confident91.7Very high140 Ų14052.7 Ų52.765%0.64826%0.262SS*.THydrogen-bonded Turntrans-89.9-0179.957.7-86.8000113.8V58V58-H60 PolarHBondContact O-N 2.99Å
61R87.4Confident91.8Very high90 Ų9053.3 Ų53.334%0.3426%0.264SS..EExtended strand (participates in β ladder)trans-108.1141.2-178-54.5-171.9-176.5179.7-2.9111.3W10 Q57 V58W10-R61 HydrophobicContact CZ2-CB 3.92Å; Q57-R61 WeakPolarHBondContact CA-O 3.35Å; V58-R61 PolarHBondContact N-O 3.19Å; V58-R61 PolarHBondContact O-N 3.34Å
62K88.4Confident91.9Very high128 Ų12853 Ų5356%0.55726%0.26SS*.EExtended strand (participates in β ladder)trans-117.8135.4173.3-70.7-175.6177.2-178.10109.2L56 Q57L56-K62 WeakPolarHBondContact O-CA 3.13Å; Q57-K62 HydrophobicContact CB-CG 3.9Å; Q57-K62 HydrophobicContact CG-CG 3.88Å
63G90.5Very high92.4Very high21 Ų2147.1 Ų47.122%0.21622%0.224CC..EExtended strand (participates in β ladder)trans-161.2173.9179.100000112.2R55 L56R55-G63 CarbonylContact C-O 3.58Å; R55-G63 WeakPolarHBondContact CA-O 3.32Å; L56-G63 PolarHBondContact N-O 2.62Å; L56-G63 PolarHBondContact O-N 3.1Å
64L93.4Very high92.9Very high32 Ų3248 Ų4817%0.16822%0.223CC..  trans-74.9130178.5-67177000110.4R55 H66 V67 I68 H81 F94R55-L64 HydrophobicContact CG-CD2 4.09Å; L64-H66 PolarHBondContact O-N 3.38Å; L64-V67 HydrophobicContact CB-CB 4.17Å; L64-V67 HydrophobicContact CB-CG2 3.75Å; L64-V67 HydrophobicContact CD1-CG2 4.32Å; L64-V67 WeakPolarHBondContact O-CB 3.27Å; L64-V67 PolarHBondContact O-N 2.83Å; L64-V67 VanDerWaalsContact O-N 3.1Å; L64-I68 WeakPolarHBondContact O-CG1 3.45Å; L64-I68 PolarHBondContact O-N 3.48Å; L64-H81 HydrophobicContact CD1-CB 3.74Å; L64-F94 HydrophobicContact CD1-CE1 4.3Å; L64-F94 HydrophobicContact CD1-CZ 4.5Å; L64-F94 HydrophobicContact CD2-CE1 3.99Å; L64-F94 HydrophobicContact CD2-CE2 3.87Å; L64-F94 HydrophobicContact CD2-CZ 3.38Å; L64-F94 HydrophobicContact CG-CZ 4.48Å
65P95.8Very high93.1Very high5 Ų549.8 Ų49.83%0.03223%0.23CC..Hα-helixtrans-55.4-48.5-171.8-21.924.8000114I48 G54 L56 V67 I68 Y69 V101 I103I48-P65 HydrophobicContact CD1-CB 3.76Å; I48-P65 HydrophobicContact CD1-CG 4.15Å; G54-P65 WeakPolarHBondContact O-CD 3.31Å; L56-P65 HydrophobicContact CB-CB 4.34Å; L56-P65 HydrophobicContact CB-CG 3.88Å; L56-P65 HydrophobicContact CD2-CB 4.46Å; P65-V67 VanDerWaalsContact C-N 3.3Å; P65-V67 PolarHBondContact O-N 3.47Å; P65-I68 PolarHBondContact O-N 3.11Å; P65-Y69 WeakPolarHBondContact O-CD2 3.48Å; P65-Y69 PolarHBondContact O-N 3.14Å; P65-V101 HydrophobicContact CB-CG1 4.23Å; P65-V101 HydrophobicContact CG-CG1 4.06Å; P65-I103 HydrophobicContact CB-CG2 3.78Å
66H95.9Very high93.1Very high6 Ų648.9 Ų48.93%0.02824%0.238CC..Hα-helixtrans-63.8-35.4-179.461.6-76.2000112.3L64 C70 F94 Y108L64-H66 PolarHBondContact O-N 3.38Å; H66-C70 WeakPolarHBondContact O-CB 3.37Å; H66-C70 PolarHBondContact O-N 2.96Å; H66-C70 PolarHBondContact O-SG 2.73Å; H66-F94 VanDerWaalsContact CE1-CB 3.41Å; H66-F94 WeakPolarHBondContact CE1-CB 3.11Å; H66-F94 AromaticContact CE1-CD1 3.43Å; H66-F94 VanDerWaalsContact CE1-CD1 3.43Å; H66-F94 WeakPolarHBondContact CE1-CD1 3.3Å; H66-F94 AromaticContact CE1-CD2 3.65Å; H66-F94 AromaticContact CE1-CG 3.18Å; H66-F94 WeakPolarHBondContact CE1-CG 3.21Å; H66-F94 WeakPolarHBondContact ND1-CB 3.41Å; H66-F94 AromaticContact ND1-CD2 3.57Å; H66-F94 AromaticContact ND1-CG 3.45Å; H66-F94 WeakPolarHBondContact ND1-CG 3.46Å; H66-Y108 HydrophobicContact CB-CE1 4.03Å; H66-Y108 HydrophobicContact CB-CE2 3.71Å; H66-Y108 VanDerWaalsContact CB-CZ 3.42Å; H66-Y108 VanDerWaalsContact CB-OH 3.29Å; H66-Y108 WeakPolarHBondContact CB-OH 3.48Å; H66-Y108 AromaticContact CD2-CE1 3.87Å; H66-Y108 AromaticContact CG-CZ 3.99Å
67V95.6Very high92.8Very high20 Ų2052.4 Ų52.412%0.12126%0.257CS..Hα-helixtrans-66.7-48.3174.6-177.70000110.6L64 P65 Y69 C70 R71 L78 H81 L84L64-V67 HydrophobicContact CB-CB 4.17Å; L64-V67 HydrophobicContact CB-CG2 3.75Å; L64-V67 HydrophobicContact CD1-CG2 4.32Å; L64-V67 WeakPolarHBondContact O-CB 3.27Å; L64-V67 PolarHBondContact O-N 2.83Å; L64-V67 VanDerWaalsContact O-N 3.1Å; P65-V67 VanDerWaalsContact C-N 3.3Å; P65-V67 PolarHBondContact O-N 3.47Å; V67-Y69 VanDerWaalsContact C-N 3.32Å; V67-Y69 PolarHBondContact O-N 3.01Å; V67-C70 PolarHBondContact O-N 3.26Å; V67-R71 VanDerWaalsContact O-CB 3.24Å; V67-R71 WeakPolarHBondContact O-CB 3.44Å; V67-R71 PolarHBondContact O-N 3.13Å; V67-L78 HydrophobicContact CG1-CD2 3.86Å; V67-L78 HydrophobicContact CG1-CG 4.34Å; V67-H81 HydrophobicContact CG2-CB 3.47Å; V67-H81 VanDerWaalsContact CG2-CB 3.47Å; V67-L84 HydrophobicContact CG2-CD1 4.37Å
68I95.8Very high92.7Very high12 Ų1247.2 Ų47.26%0.06223%0.232CC..Hα-helixtrans-53.9-52.2178.9-67.3172.8000110W10 A14 L56 L64 P65 R71 V72W10-I68 HydrophobicContact CH2-CB 4.38Å; W10-I68 HydrophobicContact CH2-CD1 4.15Å; W10-I68 HydrophobicContact CH2-CG1 3.99Å; W10-I68 HydrophobicContact CH2-CG2 3.64Å; W10-I68 HydrophobicContact CZ3-CG2 4.02Å; A14-I68 HydrophobicContact CB-CG2 4.14Å; L56-I68 HydrophobicContact CB-CD1 4.3Å; L56-I68 HydrophobicContact CD2-CD1 4.36Å; L56-I68 HydrophobicContact CG-CD1 4.46Å; L64-I68 WeakPolarHBondContact O-CG1 3.45Å; L64-I68 PolarHBondContact O-N 3.48Å; P65-I68 PolarHBondContact O-N 3.11Å; I68-R71 WeakPolarHBondContact O-CB 3.21Å; I68-R71 PolarHBondContact O-N 3.44Å; I68-V72 VanDerWaalsContact O-CG2 3.28Å; I68-V72 WeakPolarHBondContact O-CG2 3.47Å; I68-V72 PolarHBondContact O-N 2.79Å
69Y97.3Very high92.1Very high0 Ų051.9 Ų51.90%025%0.254CS..Hα-helixtrans-77.7-31.7-173.5-66.5-55.8000113.6A14 L18 L56 P65 V67 R71 W73 I103A14-Y69 HydrophobicContact CB-CE1 4.31Å; A14-Y69 WeakPolarHBondContact O-CE1 3.38Å; A14-Y69 PolarHBondContact O-OH 2.85Å; A14-Y69 VanDerWaalsContact O-OH 3.06Å; L18-Y69 HydrophobicContact CB-CE1 3.77Å; L18-Y69 WeakPolarHBondContact CB-OH 3.41Å; L18-Y69 HydrophobicContact CD1-CE1 4.41Å; L18-Y69 HydrophobicContact CD1-CE2 3.85Å; L18-Y69 HydrophobicContact CD2-CD1 3.97Å; L18-Y69 HydrophobicContact CD2-CE1 3.77Å; L18-Y69 HydrophobicContact CD2-CE2 4.41Å; L18-Y69 HydrophobicContact CD2-CG 4.38Å; L18-Y69 HydrophobicContact CG-CE1 4.17Å; L18-Y69 HydrophobicContact CG-CE2 4.48Å; L56-Y69 HydrophobicContact CD2-CE2 3.72Å; L56-Y69 WeakPolarHBondContact CD2-OH 3.31Å; P65-Y69 WeakPolarHBondContact O-CD2 3.48Å; P65-Y69 PolarHBondContact O-N 3.14Å; V67-Y69 VanDerWaalsContact C-N 3.32Å; V67-Y69 PolarHBondContact O-N 3.01Å; Y69-R71 VanDerWaalsContact C-N 3.3Å; Y69-W73 HydrophobicContact CD1-CE3 4.22Å; Y69-W73 AromaticContact CD1-CH2 3.79Å; Y69-W73 HydrophobicContact CD1-CH2 3.79Å; Y69-W73 AromaticContact CD1-CZ3 3.33Å; Y69-W73 HydrophobicContact CD1-CZ3 3.33Å; Y69-W73 HydrophobicContact CE1-CH2 4.36Å; Y69-W73 HydrophobicContact CE1-CZ3 4.29Å; Y69-W73 HydrophobicContact CG-CE3 4.48Å; Y69-W73 AromaticContact CG-CZ3 3.75Å; Y69-W73 HydrophobicContact CG-CZ3 3.75Å; Y69-W73 VanDerWaalsContact O-CE3 3.28Å; Y69-W73 PolarHBondContact O-N 3.08Å; Y69-W73 VanDerWaalsContact O-N 3.16Å; Y69-I103 HydrophobicContact CD2-CB 3.67Å; Y69-I103 HydrophobicContact CD2-CG1 4.29Å; Y69-I103 HydrophobicContact CD2-CG2 3.73Å; Y69-I103 HydrophobicContact CE2-CB 4.42Å; Y69-I103 HydrophobicContact CE2-CG2 4.24Å; Y69-I103 HydrophobicContact CG-CB 4.34Å
70C97.3Very high91.9Very high0 Ų049.1 Ų49.10%023%0.234CC..Hα-helixtrans-64.1-37167.9-710000111.9H66 V67 R74 W75 L78 L84 Y108H66-C70 WeakPolarHBondContact O-CB 3.37Å; H66-C70 PolarHBondContact O-N 2.96Å; H66-C70 PolarHBondContact O-SG 2.73Å; V67-C70 PolarHBondContact O-N 3.26Å; C70-R74 WeakPolarHBondContact O-CA 3.46Å; C70-R74 WeakPolarHBondContact O-CB 3.43Å; C70-R74 PolarHBondContact O-N 3.34Å; C70-W75 HydrophobicContact CB-CE3 4.01Å; C70-W75 HydrophobicContact CB-CZ3 4.08Å; C70-W75 PolarHBondContact O-N 2.86Å; C70-L78 HydrophobicContact CB-CD2 3.92Å; C70-L84 HydrophobicContact CB-CD1 3.81Å; C70-L84 HydrophobicContact CB-CD2 4.37Å; C70-Y108 VanDerWaalsContact SG-CD2 3.57Å
71R95.2Very high92.1Very high68 Ų6844.4 Ų44.426%0.25721%0.213SC..Hα-helixtrans-65.8-46.9176.8-172.7174.8-175.5-178.6-7.5111.9E7 V67 I68 Y69 W73 W75 P76 L78E7-R71 IonicContact OE1-CZ 3.55Å; E7-R71 IonicContact OE1-NE 3.91Å; E7-R71 PolarHBondContact OE1-NE 2.86Å; E7-R71 IonicContact OE1-NH1 2.79Å; E7-R71 IonicContact OE1-NH2 2.62Å; E7-R71 PolarHBondContact OE1-NH2 3.48Å; E7-R71 IonicContact OE2-NH2 4Å; V67-R71 VanDerWaalsContact O-CB 3.24Å; V67-R71 WeakPolarHBondContact O-CB 3.44Å; V67-R71 PolarHBondContact O-N 3.13Å; I68-R71 WeakPolarHBondContact O-CB 3.21Å; I68-R71 PolarHBondContact O-N 3.44Å; Y69-R71 VanDerWaalsContact C-N 3.3Å; R71-W73 PolarHBondContact O-N 3.2Å; R71-W75 VanDerWaalsContact CA-O 3.32Å; R71-W75 WeakPolarHBondContact CA-O 3.35Å; R71-W75 WeakPolarHBondContact CG-O 3.48Å; R71-W75 CarbonylContact O-C 3.49Å; R71-P76 PolarHBondContact NE-O 3.39Å; R71-P76 WeakPolarHBondContact O-CA 3.31Å; R71-L78 HydrophobicContact CB-CB 4.21Å; R71-L78 HydrophobicContact CB-CD2 4.27Å; R71-L78 WeakPolarHBondContact CD-O 3.47Å; R71-L78 HydrophobicContact CG-CB 4.27Å; R71-L78 PolarHBondContact NE-O 3.15Å
72V95.5Very high92.2Very high38 Ų3841.4 Ų41.423%0.2320%0.202CC..Hα-helixtrans-60.4-45.6179.8168.80000112.1A11 I15 I68A11-V72 HydrophobicContact CB-CG1 4.36Å; A11-V72 HydrophobicContact CB-CG2 3.91Å; I15-V72 HydrophobicContact CD1-CG1 3.74Å; I15-V72 HydrophobicContact CG1-CG1 3.98Å; I68-V72 VanDerWaalsContact O-CG2 3.28Å; I68-V72 WeakPolarHBondContact O-CG2 3.47Å; I68-V72 PolarHBondContact O-N 2.79Å
73W95.6Very high92.3Very high68 Ų6835.9 Ų35.926%0.25818%0.178SC..Hα-helixtrans-100.7-18.7-170.8-76.9-61.6000116.4I15 L18 L32 L36 Y69 R71 P105I15-W73 HydrophobicContact CD1-CZ2 4.22Å; I15-W73 HydrophobicContact CG1-CH2 4.13Å; I15-W73 HydrophobicContact CG1-CZ2 3.73Å; I15-W73 HydrophobicContact CG2-CZ2 4.34Å; L18-W73 HydrophobicContact CD2-CH2 3.5Å; L18-W73 VanDerWaalsContact CD2-CH2 3.5Å; L18-W73 HydrophobicContact CD2-CZ3 3.85Å; L32-W73 HydrophobicContact CD2-CH2 4.13Å; L36-W73 HydrophobicContact CD1-CD2 4.21Å; L36-W73 HydrophobicContact CD1-CG 4.43Å; L36-W73 HydrophobicContact CD1-CZ2 4.14Å; L36-W73 HydrophobicContact CD2-CB 3.93Å; L36-W73 HydrophobicContact CD2-CD2 3.89Å; L36-W73 HydrophobicContact CD2-CG 3.55Å; Y69-W73 HydrophobicContact CD1-CE3 4.22Å; Y69-W73 AromaticContact CD1-CH2 3.79Å; Y69-W73 HydrophobicContact CD1-CH2 3.79Å; Y69-W73 AromaticContact CD1-CZ3 3.33Å; Y69-W73 HydrophobicContact CD1-CZ3 3.33Å; Y69-W73 HydrophobicContact CE1-CH2 4.36Å; Y69-W73 HydrophobicContact CE1-CZ3 4.29Å; Y69-W73 HydrophobicContact CG-CE3 4.48Å; Y69-W73 AromaticContact CG-CZ3 3.75Å; Y69-W73 HydrophobicContact CG-CZ3 3.75Å; Y69-W73 VanDerWaalsContact O-CE3 3.28Å; Y69-W73 PolarHBondContact O-N 3.08Å; Y69-W73 VanDerWaalsContact O-N 3.16Å; R71-W73 PolarHBondContact O-N 3.2Å; W73-P105 HydrophobicContact CB-CB 4.3Å; W73-P105 HydrophobicContact CB-CG 3.99Å; W73-P105 HydrophobicContact CE3-CG 4.26Å
74R95.2Very high92.5Very high83 Ų8335.4 Ų35.431%0.31317%0.171SC..THydrogen-bonded Turntrans-129.9-50.9-172.1-66.1-171.269.6-165-0.3114.2C70 P105 Y108C70-R74 WeakPolarHBondContact O-CA 3.46Å; C70-R74 WeakPolarHBondContact O-CB 3.43Å; C70-R74 PolarHBondContact O-N 3.34Å; R74-P105 WeakPolarHBondContact CD-O 3.36Å; R74-P105 HydrophobicContact CG-CB 3.91Å; R74-P105 PolarHBondContact NH1-O 3.26Å; R74-Y108 PolarHBondContact NH1-O 3.4Å
75W93.8Very high92.5Very high39 Ų3939.4 Ų39.415%0.14818%0.184CC..  trans-128.882-171.3-57.8-62.9000110.2C70 R71 D77 L78 L84 Y108 R110C70-W75 HydrophobicContact CB-CE3 4.01Å; C70-W75 HydrophobicContact CB-CZ3 4.08Å; C70-W75 PolarHBondContact O-N 2.86Å; R71-W75 VanDerWaalsContact CA-O 3.32Å; R71-W75 WeakPolarHBondContact CA-O 3.35Å; R71-W75 WeakPolarHBondContact CG-O 3.48Å; R71-W75 CarbonylContact O-C 3.49Å; W75-D77 PolarHBondContact O-N 3.33Å; W75-L78 HydrophobicContact CB-CB 3.92Å; W75-L78 WeakPolarHBondContact O-CB 3.36Å; W75-L78 PolarHBondContact O-N 3.06Å; W75-L84 HydrophobicContact CE3-CD2 3.7Å; W75-L84 HydrophobicContact CH2-CD2 4.22Å; W75-L84 HydrophobicContact CZ3-CD2 3.37Å; W75-Y108 WeakPolarHBondContact CH2-O 3.3Å; W75-R110 HydrophobicContact CD2-CB 4.3Å; W75-R110 HydrophobicContact CH2-CB 4.06Å; W75-R110 HydrophobicContact CZ2-CB 3.66Å
76P90.8Very high92.5Very high89 Ų8941 Ų4158%0.57819%0.194SC*.THydrogen-bonded Turntrans-56.2-25.9179.8-26.435.5000113.6R71R71-P76 PolarHBondContact NE-O 3.39Å; R71-P76 WeakPolarHBondContact O-CA 3.31Å
77D86.4Confident92.5Very high86 Ų8642.3 Ų42.346%0.4620%0.203SC..THydrogen-bonded Turntrans-83.6-2.5177.468.9-48.3000114.3W75 Q79 R110W75-D77 PolarHBondContact O-N 3.33Å; D77-Q79 WeakPolarHBondContact O-CG 3.41Å; D77-Q79 PolarHBondContact O-N 3.49Å; D77-Q79 PolarHBondContact O-NE2 3.35Å; D77-R110 IonicContact OD1-CZ 2.96Å; D77-R110 IonicContact OD1-NH1 2.72Å; D77-R110 PolarHBondContact OD1-NH1 2.9Å; D77-R110 IonicContact OD1-NH2 3.51Å; D77-R110 IonicContact OD2-CZ 3.71Å; D77-R110 IonicContact OD2-NH1 3Å; D77-R110 PolarHBondContact OD2-NH1 3.45Å; D77-R110 IonicContact OD2-NH2 3.27Å; D77-R110 PolarHBondContact OD2-NH2 3.46Å
78L90.3Very high92.4Very high0 Ų048.8 Ų48.80%024%0.236CC..  trans-61.1121.5177.6-175.772.9000111.2V67 C70 R71 W75 E83 L84V67-L78 HydrophobicContact CG1-CD2 3.86Å; V67-L78 HydrophobicContact CG1-CG 4.34Å; C70-L78 HydrophobicContact CB-CD2 3.92Å; R71-L78 HydrophobicContact CB-CB 4.21Å; R71-L78 HydrophobicContact CB-CD2 4.27Å; R71-L78 WeakPolarHBondContact CD-O 3.47Å; R71-L78 HydrophobicContact CG-CB 4.27Å; R71-L78 PolarHBondContact NE-O 3.15Å; W75-L78 HydrophobicContact CB-CB 3.92Å; W75-L78 WeakPolarHBondContact O-CB 3.36Å; W75-L78 PolarHBondContact O-N 3.06Å; L78-E83 HydrophobicContact CD1-CB 3.51Å; L78-E83 HydrophobicContact CD1-CG 4.24Å; L78-L84 HydrophobicContact CD1-CD2 3.88Å; L78-L84 HydrophobicContact CD1-CG 4.03Å; L78-L84 HydrophobicContact CD2-CD1 3.79Å; L78-L84 HydrophobicContact CD2-CD2 4.06Å; L78-L84 HydrophobicContact CD2-CG 4.02Å
79Q80.1Confident92.3Very high101 Ų10152.6 Ų52.647%0.47226%0.263SS..  trans-105.6-34.5-177.2-58.3-53.9-38.300112.7D77 E83D77-Q79 WeakPolarHBondContact O-CG 3.41Å; D77-Q79 PolarHBondContact O-N 3.49Å; D77-Q79 PolarHBondContact O-NE2 3.35Å; Q79-E83 PolarHBondContact N-OE1 3.43Å
80S85Confident92.3Very high5 Ų553.1 Ų53.14%0.03527%0.267CS..  trans-135151.2-172.1-174.10000113.5H82 E83S80-H82 PolarHBondContact O-N 3.41Å; S80-H82 PolarHBondContact OG-CD2 3.03Å; S80-H82 PolarHBondContact OG-N 3.49Å; S80-E83 PolarHBondContact N-OE1 2.71Å; S80-E83 VanDerWaalsContact N-OE1 3.09Å; S80-E83 WeakPolarHBondContact O-CB 3.34Å; S80-E83 PolarHBondContact O-N 3.37Å
81H88.8Confident92.2Very high41 Ų4159.4 Ų59.419%0.1930%0.296CS..G310 helixtrans-63.8-24.3171.272.9-75.1000112.9L64 V67 E83 L84L64-H81 HydrophobicContact CD1-CB 3.74Å; V67-H81 HydrophobicContact CG2-CB 3.47Å; V67-H81 VanDerWaalsContact CG2-CB 3.47Å; H81-E83 PolarHBondContact O-N 3.08Å; H81-L84 PolarHBondContact O-N 3.3Å
82H88.5Confident92.3Very high27 Ų2759 Ų5913%0.12530%0.295CS..G310 helixtrans-64.5-20.5176.1-65.2-52.6000112.9S80 L84 V111 I285 Y290 S325S80-H82 PolarHBondContact O-N 3.41Å; S80-H82 PolarHBondContact OG-CD2 3.03Å; S80-H82 PolarHBondContact OG-N 3.49Å; H82-L84 PolarHBondContact O-N 2.97Å; H82-V111 WeakPolarHBondContact O-CG2 3.39Å; H82-I285 HydrophobicContact CB-CD1 3.7Å; H82-Y290 HydrophobicContact CB-CD1 4.33Å; H82-Y290 HydrophobicContact CB-CD2 4.1Å; H82-Y290 HydrophobicContact CB-CE1 4.02Å; H82-Y290 HydrophobicContact CB-CE2 3.8Å; H82-Y290 HydrophobicContact CB-CG 4.34Å; H82-Y290 AromaticContact CD2-CD1 3.36Å; H82-Y290 WeakPolarHBondContact CD2-CD1 3.42Å; H82-Y290 AromaticContact CD2-CD2 3.97Å; H82-Y290 AromaticContact CD2-CE1 3.84Å; H82-Y290 AromaticContact CD2-CG 3.41Å; H82-Y290 VanDerWaalsContact CD2-CG 3.41Å; H82-Y290 AromaticContact CE1-CD1 3.46Å; H82-Y290 VanDerWaalsContact CE1-CD1 3.46Å; H82-Y290 WeakPolarHBondContact CE1-CD1 3.46Å; H82-Y290 AromaticContact CE1-CE1 3.61Å; H82-Y290 AromaticContact CG-CD1 3.53Å; H82-Y290 AromaticContact CG-CE1 3.48Å; H82-Y290 VanDerWaalsContact CG-CE1 3.48Å; H82-Y290 AromaticContact CG-CG 3.81Å; H82-Y290 AromaticContact CG-CZ 3.76Å; H82-Y290 AromaticContact ND1-CD1 3.61Å; H82-Y290 AromaticContact ND1-CE1 3.34Å; H82-Y290 VanDerWaalsContact ND1-CE1 3.34Å; H82-Y290 WeakPolarHBondContact ND1-CE1 3.24Å; H82-Y290 AromaticContact ND1-CZ 3.94Å; H82-Y290 AromaticContact NE2-CD1 3.31Å; H82-Y290 VanDerWaalsContact NE2-CD1 3.31Å; H82-Y290 WeakPolarHBondContact NE2-CD1 3.23Å; H82-Y290 AromaticContact NE2-CE1 3.9Å; H82-Y290 AromaticContact NE2-CG 3.75Å; H82-S325 PolarHBondContact NE2-OG 2.8Å
83E91.3Very high92.4Very high12 Ų1258.3 Ų58.36%0.05629%0.291CS..G310 helixtrans-76.6-9.4172.7-65.3-177.8-102.100113.1L78 Q79 S80 H81 R110 V111 I285L78-E83 HydrophobicContact CD1-CB 3.51Å; L78-E83 HydrophobicContact CD1-CG 4.24Å; Q79-E83 PolarHBondContact N-OE1 3.43Å; S80-E83 PolarHBondContact N-OE1 2.71Å; S80-E83 VanDerWaalsContact N-OE1 3.09Å; S80-E83 WeakPolarHBondContact O-CB 3.34Å; S80-E83 PolarHBondContact O-N 3.37Å; H81-E83 PolarHBondContact O-N 3.08Å; E83-R110 HydrophobicContact CB-CG 4.38Å; E83-R110 CarbonylContact O-C 3.59Å; E83-R110 WeakPolarHBondContact O-CA 3.08Å; E83-R110 WeakPolarHBondContact O-CG 3.25Å; E83-R110 IonicContact OE2-CZ 2.78Å; E83-R110 VanDerWaalsContact OE2-CZ 3.27Å; E83-R110 IonicContact OE2-NE 2.78Å; E83-R110 PolarHBondContact OE2-NE 2.94Å; E83-R110 IonicContact OE2-NH2 3.78Å; E83-R110 PolarHBondContact OE2-NH2 3.46Å; E83-V111 PolarHBondContact O-N 2.63Å; E83-I285 HydrophobicContact CG-CD1 4.04Å; E83-I285 HydrophobicContact CG-CG1 4.18Å; E83-I285 HydrophobicContact CG-CG2 3.54Å
84L94.4Very high92.2Very high11 Ų1155.8 Ų55.86%0.05828%0.282CS..EExtended strand (participates in β ladder)trans-109.5139.6-177.6-61.9-176.9000111.6V67 C70 W75 L78 H81 H82 Y108V67-L84 HydrophobicContact CG2-CD1 4.37Å; C70-L84 HydrophobicContact CB-CD1 3.81Å; C70-L84 HydrophobicContact CB-CD2 4.37Å; W75-L84 HydrophobicContact CE3-CD2 3.7Å; W75-L84 HydrophobicContact CH2-CD2 4.22Å; W75-L84 HydrophobicContact CZ3-CD2 3.37Å; L78-L84 HydrophobicContact CD1-CD2 3.88Å; L78-L84 HydrophobicContact CD1-CG 4.03Å; L78-L84 HydrophobicContact CD2-CD1 3.79Å; L78-L84 HydrophobicContact CD2-CD2 4.06Å; L78-L84 HydrophobicContact CD2-CG 4.02Å; H81-L84 PolarHBondContact O-N 3.3Å; H82-L84 PolarHBondContact O-N 2.97Å; L84-Y108 HydrophobicContact CB-CD1 4.25Å; L84-Y108 HydrophobicContact CD1-CD1 4.49Å
85R94Very high91.8Very high117 Ų11755.8 Ų55.844%0.44229%0.288SS..EExtended strand (participates in β ladder)trans-124.6136.6166.4-62.9-65177132.1-2.9109.3Y108 K109 V111R85-Y108 CarbonylContact O-C 3.59Å; R85-Y108 VanDerWaalsContact O-CA 3.26Å; R85-Y108 WeakPolarHBondContact O-CA 3.37Å; R85-K109 HydrophobicContact CB-CG 3.97Å; R85-K109 PolarHBondContact N-O 3.19Å; R85-K109 WeakPolarHBondContact O-CG 3.15Å; R85-K109 PolarHBondContact O-N 3.28Å; R85-V111 HydrophobicContact CG-CG2 3.56Å
86P96Very high91.6Very high39 Ų3956.2 Ų56.225%0.25330%0.3SS..EExtended strand (participates in β ladder)trans-63.5148.8171.230.1-34.6000109.9C90 P93 H107 Y108P86-C90 HydrophobicContact CB-CB 4.42Å; P86-P93 HydrophobicContact CB-CB 3.51Å; P86-P93 HydrophobicContact CG-CB 3.77Å; P86-H107 WeakPolarHBondContact CA-O 3.25Å; P86-Y108 HydrophobicContact CB-CE1 4.45Å
87V95.1Very high91.5Very high33 Ų3357.2 Ų57.220%0.230%0.296CS..  trans-77.1155.1166.4-57.50000109.7C89 C90 H107V87-C89 VanDerWaalsContact CG2-SG 3.56Å; V87-C89 PolarHBondContact O-N 3.35Å; V87-C90 HydrophobicContact CG2-CB 4.16Å; V87-C90 VanDerWaalsContact O-CB 3.27Å; V87-C90 WeakPolarHBondContact O-CB 3.19Å; V87-C90 PolarHBondContact O-N 2.86Å; V87-H107 HydrophobicContact CG2-CB 4.25Å; V87-H107 PolarHBondContact N-O 3.09Å
88D93.5Very high91.8Very high155 Ų15556.9 Ų56.983%0.82929%0.291SS*.THydrogen-bonded Turntrans-65.3-26.8-171-55.3-35.4000113.3C90D88-C90 VanDerWaalsContact C-N 3.28Å; D88-C90 PolarHBondContact O-N 2.93Å
89C94.2Very high92Very high92 Ų9266 Ų6662%0.62233%0.331SS*.THydrogen-bonded Turntrans-81.80.4176.865.40000114.4V87 E91V87-C89 VanDerWaalsContact CG2-SG 3.56Å; V87-C89 PolarHBondContact O-N 3.35Å; C89-E91 PolarHBondContact O-N 3.47Å
90C96.6Very high92.7Very high12 Ų1263.4 Ų63.48%0.08132%0.319CS..  trans-78.5117.3176.8-175.50000110.3P86 V87 D88 P93 H107P86-C90 HydrophobicContact CB-CB 4.42Å; V87-C90 HydrophobicContact CG2-CB 4.16Å; V87-C90 VanDerWaalsContact O-CB 3.27Å; V87-C90 WeakPolarHBondContact O-CB 3.19Å; V87-C90 PolarHBondContact O-N 2.86Å; D88-C90 VanDerWaalsContact C-N 3.28Å; D88-C90 PolarHBondContact O-N 2.93Å; C90-P93 WeakPolarHBondContact O-CD 3.38Å; C90-H107 HydrophobicContact CB-CB 4.13Å
91E96.5Very high93.3Very high131 Ų13163.2 Ų63.261%0.61232%0.317SS*.SBendtrans-81.1-23.8179.9-63.6179171.600113.2C45 C89 P93 Q98C45-E91 PolarHBondContact SG-N 3.35Å; C89-E91 PolarHBondContact O-N 3.47Å; E91-P93 WeakPolarHBondContact O-CD 3.36Å; E91-Q98 PolarHBondContact O-NE2 3.39Å; E91-Q98 VanDerWaalsContact O-NE2 3.1Å; E91-Q98 PolarHBondContact O-OE1 3.22Å
92Y97.3Very high93.7Very high61 Ų6161.3 Ų61.324%0.23931%0.308CS..SBendtrans-121.548.6-174.9-56.8-94.8000112.8C45 T47 E100 C102C45-Y92 HydrophobicContact CB-CD2 3.83Å; C45-Y92 HydrophobicContact CB-CE2 4.41Å; T47-Y92 HydrophobicContact CG2-CD1 4.2Å; T47-Y92 HydrophobicContact CG2-CD2 3.62Å; T47-Y92 HydrophobicContact CG2-CE2 4.31Å; T47-Y92 HydrophobicContact CG2-CG 3.59Å; Y92-E100 HydrophobicContact CD1-CB 3.93Å; Y92-E100 HydrophobicContact CE1-CB 4.37Å; Y92-C102 VanDerWaalsContact O-CB 3.26Å; Y92-C102 WeakPolarHBondContact O-CB 3.36Å; Y92-C102 PolarHBondContact O-N 2.78Å
93P95.8Very high94.1Very high23 Ų2360 Ų6015%0.14930%0.302CS..  trans-66.6145.9178.831.7-35000109.7P86 C90 E91 N95 A96P86-P93 HydrophobicContact CB-CB 3.51Å; P86-P93 HydrophobicContact CG-CB 3.77Å; C90-P93 WeakPolarHBondContact O-CD 3.38Å; E91-P93 WeakPolarHBondContact O-CD 3.36Å; P93-N95 PolarHBondContact O-N 3.28Å; P93-A96 HydrophobicContact CG-CB 3.85Å; P93-A96 WeakPolarHBondContact O-CB 3.39Å; P93-A96 PolarHBondContact O-N 3.18Å
94F91.9Very high94.4Very high14 Ų1459.4 Ų59.46%0.06130%0.3CS..G310 helixtrans-53.3-34.9-176-179.6-101.2000113.9R50 L64 H66 A96 K97 V101R50-F94 VanDerWaalsContact NH2-CZ 3.27Å; L64-F94 HydrophobicContact CD1-CE1 4.3Å; L64-F94 HydrophobicContact CD1-CZ 4.5Å; L64-F94 HydrophobicContact CD2-CE1 3.99Å; L64-F94 HydrophobicContact CD2-CE2 3.87Å; L64-F94 HydrophobicContact CD2-CZ 3.38Å; L64-F94 HydrophobicContact CG-CZ 4.48Å; H66-F94 VanDerWaalsContact CE1-CB 3.41Å; H66-F94 WeakPolarHBondContact CE1-CB 3.11Å; H66-F94 AromaticContact CE1-CD1 3.43Å; H66-F94 VanDerWaalsContact CE1-CD1 3.43Å; H66-F94 WeakPolarHBondContact CE1-CD1 3.3Å; H66-F94 AromaticContact CE1-CD2 3.65Å; H66-F94 AromaticContact CE1-CG 3.18Å; H66-F94 WeakPolarHBondContact CE1-CG 3.21Å; H66-F94 WeakPolarHBondContact ND1-CB 3.41Å; H66-F94 AromaticContact ND1-CD2 3.57Å; H66-F94 AromaticContact ND1-CG 3.45Å; H66-F94 WeakPolarHBondContact ND1-CG 3.46Å; F94-A96 VanDerWaalsContact C-N 3.29Å; F94-A96 PolarHBondContact O-N 2.91Å; F94-K97 PolarHBondContact O-N 2.92Å; F94-V101 HydrophobicContact CB-CG2 4Å; F94-V101 HydrophobicContact CD2-CB 4.47Å; F94-V101 HydrophobicContact CD2-CG2 3.8Å; F94-V101 HydrophobicContact CG-CG2 4.41Å
95N87.3Confident94.5Very high83 Ų8358.9 Ų58.944%0.44430%0.297SS..G310 helixtrans-71-18.8-178.7-71.48.3000113.8P93 K97 M157P93-N95 PolarHBondContact O-N 3.28Å; N95-K97 PolarHBondContact O-N 2.96Å; N95-M157 HydrophobicContact CB-CE 3.64Å
96A90.6Very high94.7Very high48 Ų4855.6 Ų55.640%0.39729%0.285SS..G310 helixtrans-72.1-7.7176.400000113.2P93 F94 Q98P93-A96 HydrophobicContact CG-CB 3.85Å; P93-A96 WeakPolarHBondContact O-CB 3.39Å; P93-A96 PolarHBondContact O-N 3.18Å; F94-A96 VanDerWaalsContact C-N 3.29Å; F94-A96 PolarHBondContact O-N 2.91Å; A96-Q98 HydrophobicContact CB-CG 3.95Å; A96-Q98 PolarHBondContact O-N 3.41Å
97K86.8Confident94.7Very high111 Ų11154 Ų5448%0.48327%0.274SS..  trans50.531.5178.3-62.6-177.3-179.91790114.1F94 N95F94-K97 PolarHBondContact O-N 2.92Å; N95-K97 PolarHBondContact O-N 2.96Å
98Q93.2Very high94.8Very high78 Ų7852.7 Ų52.736%0.36427%0.265SS..  trans-74.1173.3176.6-64.7176.4400111.2R50 E91 A96 E100R50-Q98 WeakPolarHBondContact CD-O 3.47Å; E91-Q98 PolarHBondContact O-NE2 3.39Å; E91-Q98 VanDerWaalsContact O-NE2 3.1Å; E91-Q98 PolarHBondContact O-OE1 3.22Å; A96-Q98 HydrophobicContact CB-CG 3.95Å; A96-Q98 PolarHBondContact O-N 3.41Å; Q98-E100 PolarHBondContact O-N 3.24Å
99K95Very high94.9Very high192 Ų19250.3 Ų50.384%0.83525%0.248SC*.SBendtrans-65.8-20.4177.4-66.3-177.4-179.91780113.1R50R50-K99 WeakPolarHBondContact CB-O 3.31Å; R50-K99 PolarHBondContact N-O 3Å
100E95.5Very high94.8Very high47 Ų4748 Ų4822%0.2223%0.226CC..EExtended strand (participates in β ladder)trans-122.4158.2177.3-60.6-161.587.900110.8R25 T47 I48 Y92 Q98R25-E100 IonicContact CZ-OE2 3.25Å; R25-E100 VanDerWaalsContact NH1-CD 3.25Å; R25-E100 IonicContact NH1-OE1 3.81Å; R25-E100 PolarHBondContact NH1-OE1 2.91Å; R25-E100 IonicContact NH1-OE2 2.82Å; R25-E100 PolarHBondContact NH1-OE2 3.4Å; T47-E100 HydrophobicContact CG2-CB 4.46Å; T47-E100 VanDerWaalsContact OG1-CD 3.32Å; T47-E100 PolarHBondContact OG1-OE1 3.11Å; I48-E100 WeakPolarHBondContact O-CA 3.48Å; Y92-E100 HydrophobicContact CD1-CB 3.93Å; Y92-E100 HydrophobicContact CE1-CB 4.37Å; Q98-E100 PolarHBondContact O-N 3.24Å
101V96.5Very high94.4Very high1 Ų148.8 Ų48.81%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-128131.7175.355.10000109.7T47 I48 P65 F94T47-V101 CarbonylContact C-O 3.48Å; T47-V101 WeakPolarHBondContact CA-O 3.32Å; I48-V101 HydrophobicContact CD1-CG1 4.41Å; I48-V101 HydrophobicContact CG1-CG1 3.67Å; I48-V101 PolarHBondContact N-O 3.27Å; I48-V101 PolarHBondContact O-N 3.45Å; P65-V101 HydrophobicContact CB-CG1 4.23Å; P65-V101 HydrophobicContact CG-CG1 4.06Å; F94-V101 HydrophobicContact CB-CG2 4Å; F94-V101 HydrophobicContact CD2-CB 4.47Å; F94-V101 HydrophobicContact CD2-CG2 3.8Å; F94-V101 HydrophobicContact CG-CG2 4.41Å
102C97.9Very high93.7Very high0 Ų050.4 Ų50.40%024%0.238CC..EExtended strand (participates in β ladder)trans-69.8129.3172.2-169.80000110.7V46 T47 Y92 H107 Y108V46-C102 CarbonylContact O-C 3.58Å; V46-C102 VanDerWaalsContact O-CA 3.31Å; V46-C102 WeakPolarHBondContact O-CA 3.22Å; T47-C102 HydrophobicContact CG2-CB 4.48Å; Y92-C102 VanDerWaalsContact O-CB 3.26Å; Y92-C102 WeakPolarHBondContact O-CB 3.36Å; Y92-C102 PolarHBondContact O-N 2.78Å; C102-H107 PolarHBondContact SG-ND1 3.38Å; C102-H107 VanDerWaalsContact SG-ND1 3.36Å; C102-Y108 WeakPolarHBondContact O-CE2 3.41Å; C102-Y108 PolarHBondContact O-OH 3.37Å
103I97.2Very high92.5Very high0 Ų050.8 Ų50.80%025%0.249CC..  trans-117.15.8176.160.377.4000112.3L18 L32 V46 I48 P65 Y69 P105L18-I103 HydrophobicContact CD1-CD1 3.81Å; L18-I103 HydrophobicContact CD1-CG1 3.99Å; L18-I103 HydrophobicContact CD2-CD1 3.67Å; L18-I103 HydrophobicContact CG-CD1 4.32Å; L32-I103 HydrophobicContact CD1-CD1 4.47Å; L32-I103 HydrophobicContact CD2-CD1 4.49Å; V46-I103 HydrophobicContact CB-CD1 4.08Å; V46-I103 HydrophobicContact CG1-CD1 3.51Å; V46-I103 HydrophobicContact CG1-CG1 4.26Å; V46-I103 PolarHBondContact O-N 2.91Å; I48-I103 HydrophobicContact CD1-CG2 4.07Å; I48-I103 HydrophobicContact CG1-CG2 3.96Å; I48-I103 HydrophobicContact CG2-CG1 4.15Å; P65-I103 HydrophobicContact CB-CG2 3.78Å; Y69-I103 HydrophobicContact CD2-CB 3.67Å; Y69-I103 HydrophobicContact CD2-CG1 4.29Å; Y69-I103 HydrophobicContact CD2-CG2 3.73Å; Y69-I103 HydrophobicContact CE2-CB 4.42Å; Y69-I103 HydrophobicContact CE2-CG2 4.24Å; Y69-I103 HydrophobicContact CG-CB 4.34Å; I103-P105 WeakPolarHBondContact O-CD 3.4Å
104N97.2Very high91.5Very high0 Ų052 Ų520%026%0.257CS..  trans-63115.4170.7-179.6-16.3000108.9S43 K44 V46 Y106 H107 Y108S43-N104 PolarHBondContact OG-ND2 3.46Å; K44-N104 PolarHBondContact O-ND2 3.42Å; V46-N104 HydrophobicContact CB-CB 4.06Å; V46-N104 HydrophobicContact CG2-CB 4.09Å; N104-Y106 PolarHBondContact O-N 3.36Å; N104-Y106 PolarHBondContact OD1-N 3.28Å; N104-H107 HydrophobicContact CB-CB 4.19Å; N104-H107 PolarHBondContact ND2-CD2 3.45Å; N104-H107 PolarHBondContact ND2-NE2 2.81Å; N104-H107 WeakPolarHBondContact O-CB 3.27Å; N104-H107 PolarHBondContact O-N 2.85Å; N104-Y108 WeakPolarHBondContact O-CD2 3.41Å
105P96.9Very high91.1Very high0 Ų058 Ų580%030%0.295CS..G310 helixtrans-68.5-17.1-173.830.5-37.6000113.3L36 W73 R74 I103 H107L36-P105 HydrophobicContact CD2-CG 3.86Å; W73-P105 HydrophobicContact CB-CB 4.3Å; W73-P105 HydrophobicContact CB-CG 3.99Å; W73-P105 HydrophobicContact CE3-CG 4.26Å; R74-P105 WeakPolarHBondContact CD-O 3.36Å; R74-P105 HydrophobicContact CG-CB 3.91Å; R74-P105 PolarHBondContact NH1-O 3.26Å; I103-P105 WeakPolarHBondContact O-CD 3.4Å; P105-H107 VanDerWaalsContact C-N 3.33Å
106Y97.1Very high91.1Very high48 Ų4855.5 Ų55.519%0.18828%0.281CS..G310 helixtrans-86.1-4.9173.5-60.6-73.2000113.6A35 L36 P39 N104A35-Y106 HydrophobicContact CB-CD2 4.21Å; A35-Y106 WeakPolarHBondContact O-CD2 3.2Å; A35-Y106 WeakPolarHBondContact O-CE2 3.3Å; L36-Y106 HydrophobicContact CD2-CE2 4.2Å; P39-Y106 HydrophobicContact CB-CE1 3.76Å; P39-Y106 HydrophobicContact CG-CE1 4.49Å; P39-Y106 WeakPolarHBondContact CG-OH 3.29Å; N104-Y106 PolarHBondContact O-N 3.36Å; N104-Y106 PolarHBondContact OD1-N 3.28Å
107H97.5Very high91.1Very high4 Ų457.5 Ų57.52%0.01929%0.29CS..G310 helixtrans-87.16.5170.2-74.7-155.1000112.8S43 K44 C45 P86 V87 C90 C102 N104 P105S43-H107 PolarHBondContact O-CE1 2.82Å; S43-H107 PolarHBondContact O-NE2 2.95Å; K44-H107 PolarHBondContact O-CE1 2.79Å; K44-H107 PolarHBondContact O-NE2 3.29Å; C45-H107 WeakPolarHBondContact CA-CE1 3.22Å; C45-H107 PolarHBondContact N-CE1 3.18Å; C45-H107 PolarHBondContact SG-CE1 3.38Å; C45-H107 PolarHBondContact SG-ND1 3.38Å; C45-H107 VanDerWaalsContact SG-ND1 3.39Å; P86-H107 WeakPolarHBondContact CA-O 3.25Å; V87-H107 HydrophobicContact CG2-CB 4.25Å; V87-H107 PolarHBondContact N-O 3.09Å; C90-H107 HydrophobicContact CB-CB 4.13Å; C102-H107 PolarHBondContact SG-ND1 3.38Å; C102-H107 VanDerWaalsContact SG-ND1 3.36Å; N104-H107 HydrophobicContact CB-CB 4.19Å; N104-H107 PolarHBondContact ND2-CD2 3.45Å; N104-H107 PolarHBondContact ND2-NE2 2.81Å; N104-H107 WeakPolarHBondContact O-CB 3.27Å; N104-H107 PolarHBondContact O-N 2.85Å; P105-H107 VanDerWaalsContact C-N 3.33Å
108Y96.9Very high91.3Very high6 Ų654.2 Ų54.22%0.02428%0.28CS..EExtended strand (participates in β ladder)trans-124.5142.9172.4-61-88.7000109.2H66 C70 R74 W75 L84 R85 P86 C102 N104H66-Y108 HydrophobicContact CB-CE1 4.03Å; H66-Y108 HydrophobicContact CB-CE2 3.71Å; H66-Y108 VanDerWaalsContact CB-CZ 3.42Å; H66-Y108 VanDerWaalsContact CB-OH 3.29Å; H66-Y108 WeakPolarHBondContact CB-OH 3.48Å; H66-Y108 AromaticContact CD2-CE1 3.87Å; H66-Y108 AromaticContact CG-CZ 3.99Å; C70-Y108 VanDerWaalsContact SG-CD2 3.57Å; R74-Y108 PolarHBondContact NH1-O 3.4Å; W75-Y108 WeakPolarHBondContact CH2-O 3.3Å; L84-Y108 HydrophobicContact CB-CD1 4.25Å; L84-Y108 HydrophobicContact CD1-CD1 4.49Å; R85-Y108 CarbonylContact O-C 3.59Å; R85-Y108 VanDerWaalsContact O-CA 3.26Å; R85-Y108 WeakPolarHBondContact O-CA 3.37Å; P86-Y108 HydrophobicContact CB-CE1 4.45Å; C102-Y108 WeakPolarHBondContact O-CE2 3.41Å; C102-Y108 PolarHBondContact O-OH 3.37Å; N104-Y108 WeakPolarHBondContact O-CD2 3.41Å
109K94.5Very high91.2Very high106 Ų10650.6 Ų50.646%0.46126%0.263SS..EExtended strand (participates in β ladder)trans-111.8144.1166.559.7-174.9175.4-173.70108.1R85R85-K109 HydrophobicContact CB-CG 3.97Å; R85-K109 PolarHBondContact N-O 3.19Å; R85-K109 WeakPolarHBondContact O-CG 3.15Å; R85-K109 PolarHBondContact O-N 3.28Å
110R92.2Very high91Very high44 Ų4445 Ų4517%0.16624%0.242CC..EExtended strand (participates in β ladder)trans-75.6132.1172.3-158.3167.7-179.5-174.7-2.4107.8W75 D77 E83 E112W75-R110 HydrophobicContact CD2-CB 4.3Å; W75-R110 HydrophobicContact CH2-CB 4.06Å; W75-R110 HydrophobicContact CZ2-CB 3.66Å; D77-R110 IonicContact OD1-CZ 2.96Å; D77-R110 IonicContact OD1-NH1 2.72Å; D77-R110 PolarHBondContact OD1-NH1 2.9Å; D77-R110 IonicContact OD1-NH2 3.51Å; D77-R110 IonicContact OD2-CZ 3.71Å; D77-R110 IonicContact OD2-NH1 3Å; D77-R110 PolarHBondContact OD2-NH1 3.45Å; D77-R110 IonicContact OD2-NH2 3.27Å; D77-R110 PolarHBondContact OD2-NH2 3.46Å; E83-R110 HydrophobicContact CB-CG 4.38Å; E83-R110 CarbonylContact O-C 3.59Å; E83-R110 WeakPolarHBondContact O-CA 3.08Å; E83-R110 WeakPolarHBondContact O-CG 3.25Å; E83-R110 IonicContact OE2-CZ 2.78Å; E83-R110 VanDerWaalsContact OE2-CZ 3.27Å; E83-R110 IonicContact OE2-NE 2.78Å; E83-R110 PolarHBondContact OE2-NE 2.94Å; E83-R110 IonicContact OE2-NH2 3.78Å; E83-R110 PolarHBondContact OE2-NH2 3.46Å; R110-E112 PolarHBondContact O-N 3.21Å
111V88.5Confident90.7Very high28 Ų2842.8 Ų42.817%0.1723%0.232CC..PPolyproline II helixtrans-52128.9174.2172.70000107.8H82 E83 R85 R286H82-V111 WeakPolarHBondContact O-CG2 3.39Å; E83-V111 PolarHBondContact O-N 2.63Å; R85-V111 HydrophobicContact CG-CG2 3.56Å; V111-R286 WeakPolarHBondContact O-CD 3.41Å; V111-R286 PolarHBondContact O-NE 3.04Å; V111-R286 PolarHBondContact O-NH1 3.38Å; V111-R286 PolarHBondContact O-NH2 3.3Å
112E81.4Confident90.1Very high165 Ų16544.9 Ų44.977%0.77125%0.245SC*.PPolyproline II helixtrans-81149.8176.9-72178.5-172.200110.9R110 P114 R286R110-E112 PolarHBondContact O-N 3.21Å; E112-P114 WeakPolarHBondContact O-CD 3.45Å; E112-R286 VanDerWaalsContact CA-NH1 3.34Å
113S72.4Confident88.8Confident69 Ų6951.9 Ų51.948%0.48327%0.272SS..PPolyproline II helixtrans-81118.1175.2-168.10000107.4V115 R286S113-V115 PolarHBondContact O-N 3.44Å; S113-R286 VanDerWaalsContact N-NH1 3.16Å
114P76.3Confident87.1Confident47 Ų4759.8 Ų59.831%0.30530%0.303SS..PPolyproline II helixtrans-66.5137.1176.927-32.1000110E112 L116 Q332E112-P114 WeakPolarHBondContact O-CD 3.45Å; P114-L116 PolarHBondContact O-N 2.76Å; P114-Q332 HydrophobicContact CB-CG 4.19Å; P114-Q332 VanDerWaalsContact CG-CD 3.43Å; P114-Q332 HydrophobicContact CG-CG 3.63Å
115V82.1Confident84.8Confident141 Ų14163.8 Ų63.886%0.85533%0.331SS*.PPolyproline II helixtrans-74.3116.8169.5-178.20000107.5S113S113-V115 PolarHBondContact O-N 3.44Å
116L88.5Confident82.5Confident31 Ų3173.2 Ų73.216%0.16238%0.375CS..PPolyproline II helixtrans-77.7124.2177.5-64.3173.5000109.5P114 Y211 N331 Q332 A335 W392P114-L116 PolarHBondContact O-N 2.76Å; L116-Y211 HydrophobicContact CD1-CD1 4Å; L116-Y211 HydrophobicContact CD1-CD2 4.39Å; L116-Y211 HydrophobicContact CD1-CG 3.94Å; L116-N331 HydrophobicContact CD1-CB 4.39Å; L116-N331 VanDerWaalsContact CD1-ND2 3.25Å; L116-N331 WeakPolarHBondContact CD1-ND2 3.49Å; L116-Q332 HydrophobicContact CD2-CB 4.3Å; L116-Q332 HydrophobicContact CD2-CG 3.85Å; L116-A335 HydrophobicContact CD2-CB 4.1Å; L116-W392 HydrophobicContact CB-CH2 4.07Å; L116-W392 HydrophobicContact CD1-CH2 4.37Å; L116-W392 HydrophobicContact CD1-CZ3 3.99Å
117P89.3Confident79.8Confident89 Ų8978.9 Ų78.958%0.57840%0.401SS*.PPolyproline II helixtrans-65.5149.9175.628.8-34.1000110.2
118P90.9Very high77.1Confident42 Ų4284.1 Ų84.127%0.27344%0.435SS..PPolyproline II helixtrans-63.6145.3174.427-33.2000111.1P208 V209P118-P208 HydrophobicContact CB-CB 3.69Å; P118-P208 HydrophobicContact CG-CB 4.01Å; P118-V209 WeakPolarHBondContact CA-O 3.28Å
119V91.4Very high74.5Confident2 Ų289.1 Ų89.11%0.01247%0.468CS..EExtended strand (participates in β ladder)trans-80.7123.6169.6170.80000108.1V121 V209 L338 H339 V342 W392 V396V119-V121 HydrophobicContact CG1-CG2 4.42Å; V119-V209 PolarHBondContact N-O 3.42Å; V119-V209 PolarHBondContact O-N 3.4Å; V119-L338 HydrophobicContact CG1-CG 4.45Å; V119-L338 HydrophobicContact CG2-CB 4.4Å; V119-L338 HydrophobicContact CG2-CD2 3.99Å; V119-L338 HydrophobicContact CG2-CG 3.96Å; V119-H339 HydrophobicContact CG2-CB 4.45Å; V119-V342 HydrophobicContact CG1-CG2 3.63Å; V119-W392 HydrophobicContact CB-CZ2 4.37Å; V119-W392 HydrophobicContact CG2-CH2 4.22Å; V119-W392 HydrophobicContact CG2-CZ2 3.53Å; V119-V396 HydrophobicContact CB-CG2 4.12Å; V119-V396 HydrophobicContact CG1-CG1 4.41Å; V119-V396 HydrophobicContact CG1-CG2 3.91Å
120L91.4Very high72Confident74 Ų7489.1 Ų89.139%0.38748%0.479SS..EExtended strand (participates in β ladder)trans-86.8119.1179.3-59.8-177.6000109.9V206 P208L120-V206 HydrophobicContact CB-CB 4.18Å; L120-V206 HydrophobicContact CB-CG2 4.5Å; L120-V206 HydrophobicContact CD1-CG2 4.3Å; L120-V206 HydrophobicContact CD2-CG2 4.46Å; L120-P208 HydrophobicContact CD2-CB 3.96Å
121V88.9Confident69.5Low2 Ų299.3 Ų99.31%0.01252%0.517CS..EExtended strand (participates in β ladder)trans-104.9121.6178.9-177.70000109.5V119 R123 V206 Q207 V209 V396 Q399 M400V119-V121 HydrophobicContact CG1-CG2 4.42Å; V121-R123 PolarHBondContact O-N 2.92Å; V121-V206 WeakPolarHBondContact O-CA 3.34Å; V121-Q207 PolarHBondContact N-O 3.06Å; V121-Q207 PolarHBondContact O-N 3.17Å; V121-V209 HydrophobicContact CG2-CG2 3.74Å; V121-V396 HydrophobicContact CG2-CB 4.49Å; V121-V396 HydrophobicContact CG2-CG1 3.94Å; V121-V396 HydrophobicContact CG2-CG2 4.38Å; V121-Q399 HydrophobicContact CB-CB 4.4Å; V121-Q399 HydrophobicContact CG1-CB 4.1Å; V121-Q399 HydrophobicContact CG2-CB 4.48Å; V121-M400 HydrophobicContact CG1-CB 4.41Å; V121-M400 HydrophobicContact CG1-CG 3.51Å
122P83.6Confident67.1Low44 Ų44102.1 Ų102.129%0.28654%0.538SS..EExtended strand (participates in β ladder)trans-62.5131173.7-20.732.3000111.1Y124P122-Y124 PolarHBondContact O-N 3.16Å
123R70.1Confident65.2Low147 Ų14798.8 Ų98.856%0.55553%0.534SS*.  trans-75.8114.9166.1-69.4-176.5-171.3179.21.2109.2V121 S125 C205V121-R123 PolarHBondContact O-N 2.92Å; R123-S125 PolarHBondContact O-N 3.11Å; R123-C205 VanDerWaalsContact CB-O 3.27Å; R123-C205 WeakPolarHBondContact CB-O 3.4Å; R123-C205 WeakPolarHBondContact CG-O 3.3Å; R123-C205 PolarHBondContact N-O 2.74Å; R123-C205 VanDerWaalsContact N-O 3.08Å
124Y62.4Low63.7Low166 Ų166100.3 Ų100.365%0.65155%0.55SS**  trans-68.1110156.9-66-80.5000106.4P122P122-Y124 PolarHBondContact O-N 3.16Å
125S49.7Very low62Low85 Ų85104.7 Ų104.759%0.59457%0.571SS**  trans-60143.3168.641.40000108R123 F127R123-S125 PolarHBondContact O-N 3.11Å; S125-F127 PolarHBondContact O-N 3.45Å
126E47.3Very low60Low197 Ų197102.5 Ų102.592%0.92156%0.562SS**SBendtrans-60.22.9177.2-67.1-175.7161.200113.9
127F40.9Very low57.8Low168 Ų168107.6 Ų107.674%0.73759%0.589SS**SBendtrans-90.8118.8173.3-74.9-83.8000109.7S125S125-F127 PolarHBondContact O-N 3.45Å
128P40.9Very low55.2Low113 Ų113110.1 Ų110.173%0.73460%0.597SS**PPolyproline II helixtrans-57127.8170.622.7-30000108.1
129P42.6Very low52.7Low111 Ų111113.2 Ų113.272%0.72162%0.617SS**PPolyproline II helixtrans-56.5141.8175.718.8-27.5000109.2R131P129-R131 PolarHBondContact O-N 2.86Å
130P40.6Very low50.3Low106 Ų106119.7 Ų119.769%0.68865%0.645SS**PPolyproline II helixtrans-55139.9172.523.5-31.1000108.3S132P130-S132 PolarHBondContact O-N 2.82Å
131R39.7Very low47.8Very low258 Ų258124 Ų12497%0.97466%0.663SS**SBendtrans-63.519.5-169.6-54.9-177.4-168.9-164.42.4115.2P129P129-R131 PolarHBondContact O-N 2.86Å
132S39.8Very low45.7Very low87 Ų87129.5 Ų129.561%0.60869%0.688SS**SBendtrans-107.472.8-177.843.60000108.7P130P130-S132 PolarHBondContact O-N 2.82Å
133S40.9Very low43.9Very low96 Ų96132 Ų13267%0.67170%0.703SS**  trans152.997.4155.8-70.90000104.8N135S133-N135 PolarHBondContact O-N 2.96Å
134A40.2Very low42.8Very low100 Ų100130.9 Ų130.983%0.82672%0.718SS**  trans-53.992.8149.800000104.8S136A134-S136 PolarHBondContact O-N 3.45Å
135N40.8Very low42.3Very low139 Ų139127 Ų12774%0.74371%0.705SS**  trans-56100160.3-89.9-14.4000102.4S133 L137S133-N135 PolarHBondContact O-N 2.96Å; N135-L137 PolarHBondContact O-N 3.1Å
136S40.2Very low42.7Very low95 Ų95125.9 Ų125.966%0.66470%0.696SS**  trans-57.983.5167.4177.80000104.2A134 L138A134-S136 PolarHBondContact O-N 3.45Å; S136-L138 PolarHBondContact O-N 2.75Å
137L41.8Very low43.3Very low139 Ų139124.4 Ų124.473%0.72869%0.693SS**  trans-50.6104.8161.5-74.2168.5000102.3N135 P139N135-L137 PolarHBondContact O-N 3.1Å; L137-P139 WeakPolarHBondContact O-CD 3.43Å
138L36.1Very low44.9Very low142 Ų142121.9 Ų121.974%0.74369%0.686SS**  trans-49.4120.9179.3-73.7169.2000105S136 F140S136-L138 PolarHBondContact O-N 2.75Å; L138-F140 PolarHBondContact O-N 2.73Å
139P37.4Very low46.8Very low107 Ų107118.1 Ų118.170%0.69566%0.662SS**  trans-51.5133.7179.219.6-29.8000106.5L137 Q141L137-P139 WeakPolarHBondContact O-CD 3.43Å; P139-Q141 VanDerWaalsContact C-N 3.29Å; P139-Q141 PolarHBondContact O-N 3.12Å
140F41.1Very low48.7Very low137 Ų137118.3 Ų118.360%0.60165%0.653SS**  trans-40.895.1-178-177.4-96.9000109.6L138 Q142L138-F140 PolarHBondContact O-N 2.73Å; F140-Q142 HydrophobicContact CD1-CG 3.87Å; F140-Q142 HydrophobicContact CE1-CB 4.44Å; F140-Q142 HydrophobicContact CE1-CG 3.52Å; F140-Q142 PolarHBondContact O-N 2.79Å
141Q39.1Very low50.8Low164 Ų164113.6 Ų113.677%0.76662%0.622SS**  trans-80.293.7179.5-148.21704.900102.8P139 V143P139-Q141 VanDerWaalsContact C-N 3.29Å; P139-Q141 PolarHBondContact O-N 3.12Å; Q141-V143 PolarHBondContact O-N 2.55Å
142Q43.9Very low53.1Low118 Ų118102.8 Ų102.855%0.55158%0.583SS**  trans-44118.2168.6-96.1-177.4-69.300105.6F140 S144 E145F140-Q142 HydrophobicContact CD1-CG 3.87Å; F140-Q142 HydrophobicContact CE1-CB 4.44Å; F140-Q142 HydrophobicContact CE1-CG 3.52Å; F140-Q142 PolarHBondContact O-N 2.79Å; Q142-S144 PolarHBondContact O-N 3.26Å; Q142-E145 PolarHBondContact NE2-OE2 2.82Å; Q142-E145 VanDerWaalsContact NE2-OE2 3.14Å
143V46.9Very low55.4Low98 Ų98100.1 Ų100.159%0.59457%0.565SS**  trans-48122.9168.1-166.70000104.8Q141 E145Q141-V143 PolarHBondContact O-N 2.55Å; V143-E145 VanDerWaalsContact C-N 3.35Å; V143-E145 WeakPolarHBondContact O-CG 3.1Å; V143-E145 PolarHBondContact O-N 3.01Å
144S45.8Very low57.5Low123 Ų12395.6 Ų95.686%0.8653%0.533SS*.  trans-51.498.8-170.9-56.40000110.1Q142Q142-S144 PolarHBondContact O-N 3.26Å
145E52.1Low59.3Low84 Ų8492 Ų9239%0.39350%0.501SS..  trans-79.4137.5-175.6-84.9168.4170.400107.8Q142 V143 I147 P314Q142-E145 PolarHBondContact NE2-OE2 2.82Å; Q142-E145 VanDerWaalsContact NE2-OE2 3.14Å; V143-E145 VanDerWaalsContact C-N 3.35Å; V143-E145 WeakPolarHBondContact O-CG 3.1Å; V143-E145 PolarHBondContact O-N 3.01Å; E145-I147 PolarHBondContact O-N 2.93Å; E145-P314 HydrophobicContact CG-CG 4.47Å; E145-P314 WeakPolarHBondContact OE1-CG 3.46Å
146P58.1Low60.5Low61 Ų6189.4 Ų89.440%0.39649%0.485SS..  trans-54.2132.3166.120.6-28.6000108.7L148 H313P146-L148 PolarHBondContact O-N 2.79Å; P146-H313 HydrophobicContact CG-CB 4.04Å; P146-H313 PolarHBondContact O-CD2 2.88Å
147I61.1Low61.6Low166 Ų16688.1 Ų88.185%0.85147%0.469SS*.SBendtrans-57.6-26.7-161.9-58170.1000112.6E145E145-I147 PolarHBondContact O-N 2.93Å
148L74.5Confident62.6Low116 Ų11682.3 Ų82.361%0.60744%0.443SS*.SBendtrans-144.8141.7178-68.6169.8000112.3P146 H150P146-L148 PolarHBondContact O-N 2.79Å; L148-H150 PolarHBondContact O-ND1 3.16Å
149P79.9Confident64.3Low34 Ų3479.4 Ų79.422%0.22143%0.431CS..  trans-64.6135.8172.725-31.4000111.4H313 T315 A368P149-H313 HydrophobicContact CB-CB 3.95Å; P149-T315 WeakPolarHBondContact CB-OG1 3.32Å; P149-A368 WeakPolarHBondContact O-CB 3.4Å
150H83.2Confident66Low115 Ų11577.1 Ų77.153%0.53242%0.416SS..  trans-122.8146.7167.8-6674.2000108.6L148 T316L148-H150 PolarHBondContact O-ND1 3.16Å; H150-T316 WeakPolarHBondContact O-CG2 3.19Å; H150-T316 PolarHBondContact O-OG1 3.22Å
151N84.4Confident67.5Low7 Ų774.8 Ų74.84%0.03741%0.409CS..  trans-83.1152.8-179.9-65.3-31.6000110.6V317 E369 Y370N151-V317 WeakPolarHBondContact CA-O 3.4Å; N151-V317 WeakPolarHBondContact OD1-CB 3.38Å; N151-E369 HydrophobicContact CB-CB 4.45Å; N151-E369 HydrophobicContact CB-CG 4.22Å; N151-E369 PolarHBondContact ND2-N 2.86Å; N151-E369 VanDerWaalsContact ND2-N 3.17Å; N151-Y370 HydrophobicContact CB-CE2 4.26Å; N151-Y370 WeakPolarHBondContact ND2-CD2 3.43Å; N151-Y370 WeakPolarHBondContact ND2-CE2 3.41Å
152I88.3Confident68.2Low31 Ų3170.2 Ų70.216%0.15941%0.405CS..EExtended strand (participates in β ladder)trans-135.5138.6-170.7-62.9178.1000110F154 P160 F312 T316 V317 C318 K319I152-F154 HydrophobicContact CB-CE2 4.4Å; I152-F154 HydrophobicContact CG2-CD2 4.18Å; I152-F154 HydrophobicContact CG2-CE2 3.75Å; I152-F154 HydrophobicContact CG2-CZ 4.31Å; I152-P160 HydrophobicContact CG2-CB 3.9Å; I152-P160 HydrophobicContact CG2-CG 4.38Å; I152-F312 HydrophobicContact CB-CE2 4.44Å; I152-F312 HydrophobicContact CD1-CB 4.41Å; I152-F312 HydrophobicContact CD1-CD1 3.37Å; I152-F312 HydrophobicContact CD1-CD2 3.4Å; I152-F312 HydrophobicContact CD1-CE1 3.25Å; I152-F312 HydrophobicContact CD1-CE2 3.24Å; I152-F312 HydrophobicContact CD1-CG 3.46Å; I152-F312 VanDerWaalsContact CD1-CG 3.46Å; I152-F312 HydrophobicContact CD1-CZ 3.18Å; I152-F312 HydrophobicContact CG1-CE2 4.39Å; I152-F312 HydrophobicContact CG1-CZ 4.43Å; I152-F312 HydrophobicContact CG2-CE2 4.17Å; I152-F312 HydrophobicContact CG2-CZ 4.17Å; I152-T316 HydrophobicContact CD1-CG2 3.96Å; I152-T316 HydrophobicContact CG1-CG2 4.12Å; I152-V317 PolarHBondContact N-O 2.84Å; I152-V317 VanDerWaalsContact N-O 3.11Å; I152-C318 CarbonylContact O-C 3.59Å; I152-C318 VanDerWaalsContact O-CA 3.31Å; I152-C318 WeakPolarHBondContact O-CA 3.46Å; I152-K319 PolarHBondContact O-N 3.3Å
153S88.7Confident68.1Low31 Ų3168.4 Ų68.422%0.21741%0.406CS..EExtended strand (participates in β ladder)trans-105.9132.4176.1-167.90000110.8I161S153-I161 PolarHBondContact O-N 2.82Å
154F84.5Confident67.3Low0 Ų069.1 Ų69.10%042%0.416CS..EExtended strand (participates in β ladder)trans-101.2151.7179.3-78.8-92.3000112.6I152 G158 P160 H310 F312 C318 K319 P321 L326I152-F154 HydrophobicContact CB-CE2 4.4Å; I152-F154 HydrophobicContact CG2-CD2 4.18Å; I152-F154 HydrophobicContact CG2-CE2 3.75Å; I152-F154 HydrophobicContact CG2-CZ 4.31Å; F154-G158 VanDerWaalsContact CD1-C 3.48Å; F154-G158 VanDerWaalsContact CD1-O 3.29Å; F154-G158 WeakPolarHBondContact CD1-O 3.49Å; F154-G158 VanDerWaalsContact CE1-O 3.3Å; F154-G158 WeakPolarHBondContact CE1-O 3.22Å; F154-P160 HydrophobicContact CE1-CG 3.91Å; F154-P160 HydrophobicContact CZ-CG 4.18Å; F154-H310 AromaticContact CE1-NE2 3.76Å; F154-H310 AromaticContact CZ-CE1 3.99Å; F154-F312 HydrophobicContact CE2-CE2 4.3Å; F154-F312 AromaticContact CZ-CE2 3.9Å; F154-F312 HydrophobicContact CZ-CE2 3.9Å; F154-C318 HydrophobicContact CD2-CB 3.88Å; F154-C318 HydrophobicContact CE2-CB 3.66Å; F154-C318 VanDerWaalsContact CE2-SG 3.58Å; F154-K319 PolarHBondContact N-O 3.34Å; F154-P321 WeakPolarHBondContact O-CD 3.26Å; F154-P321 VanDerWaalsContact O-CG 3.3Å; F154-P321 WeakPolarHBondContact O-CG 3.35Å; F154-L326 HydrophobicContact CD1-CD1 3.5Å; F154-L326 VanDerWaalsContact CD1-CD1 3.5Å; F154-L326 HydrophobicContact CD1-CD2 4.47Å; F154-L326 HydrophobicContact CD2-CD1 4.31Å; F154-L326 HydrophobicContact CD2-CD2 3.79Å; F154-L326 HydrophobicContact CE1-CD1 3.47Å; F154-L326 VanDerWaalsContact CE1-CD1 3.47Å; F154-L326 HydrophobicContact CE2-CD1 4.31Å; F154-L326 HydrophobicContact CE2-CD2 3.9Å; F154-L326 HydrophobicContact CG-CD1 3.9Å; F154-L326 HydrophobicContact CG-CD2 4.07Å; F154-L326 HydrophobicContact CZ-CD1 3.88Å; F154-L326 HydrophobicContact CZ-CD2 4.23Å
155S78.5Confident66.7Low24 Ų2470 Ų7017%0.16841%0.41CS..  trans-95.5177.2171.1710000111.8M157 G158 V159S155-M157 PolarHBondContact O-N 3.2Å; S155-G158 PolarHBondContact O-N 3.37Å; S155-V159 PolarHBondContact N-O 2.79Å; S155-V159 VanDerWaalsContact OG-CG2 3.22Å; S155-V159 WeakPolarHBondContact OG-CG2 3.39Å; S155-V159 PolarHBondContact OG-O 2.92Å
156Q64.5Low65.6Low85 Ų8571.7 Ų71.740%0.39743%0.432SS..THydrogen-bonded Turntrans-57.7-21.4178.5-170.417349.800114.4G158 G323 C324Q156-G158 VanDerWaalsContact C-N 3.34Å; Q156-G323 PolarHBondContact NE2-O 3.36Å; Q156-C324 PolarHBondContact N-SG 2.96Å
157M63.2Low64.1Low69 Ų6973.2 Ų73.234%0.3445%0.449SS..THydrogen-bonded Turntrans-88.92.2179.2-63.5-62.1-65.400113.3N95 S155 V159N95-M157 HydrophobicContact CB-CE 3.64Å; S155-M157 PolarHBondContact O-N 3.2Å; M157-V159 HydrophobicContact CB-CG2 4.25Å; M157-V159 PolarHBondContact O-N 2.98Å
158G63.3Low62.5Low17 Ų1772.8 Ų72.818%0.17545%0.449CS..SBendtrans6919.8-172.800000113.5F154 S155 Q156F154-G158 VanDerWaalsContact CD1-C 3.48Å; F154-G158 VanDerWaalsContact CD1-O 3.29Å; F154-G158 WeakPolarHBondContact CD1-O 3.49Å; F154-G158 VanDerWaalsContact CE1-O 3.3Å; F154-G158 WeakPolarHBondContact CE1-O 3.22Å; S155-G158 PolarHBondContact O-N 3.37Å; Q156-G158 VanDerWaalsContact C-N 3.34Å
159V72.6Confident60.3Low81 Ų8172.6 Ų72.649%0.49146%0.457SS..  trans-100.3142.4171.6-59.90000111.3S155 M157S155-V159 PolarHBondContact N-O 2.79Å; S155-V159 VanDerWaalsContact OG-CG2 3.22Å; S155-V159 WeakPolarHBondContact OG-CG2 3.39Å; S155-V159 PolarHBondContact OG-O 2.92Å; M157-V159 HydrophobicContact CB-CG2 4.25Å; M157-V159 PolarHBondContact O-N 2.98Å
160P72.2Confident57.9Low59 Ų5977.3 Ų77.338%0.38349%0.488SS..EExtended strand (participates in β ladder)trans-58.9136.1174.3-22.933.3000111.7I152 F154 F312I152-P160 HydrophobicContact CG2-CB 3.9Å; I152-P160 HydrophobicContact CG2-CG 4.38Å; F154-P160 HydrophobicContact CE1-CG 3.91Å; F154-P160 HydrophobicContact CZ-CG 4.18Å; P160-F312 HydrophobicContact CG-CZ 3.97Å
161I73.6Confident55.4Low88 Ų8877.2 Ų77.245%0.45150%0.5SS..EExtended strand (participates in β ladder)trans-85.8113.7167.1-57.8172.8000105.6S153 S163S153-I161 PolarHBondContact O-N 2.82Å; I161-S163 PolarHBondContact O-N 3.36Å; I161-S163 VanDerWaalsContact O-N 3.12Å
162G52.3Low52.9Low67 Ų6782.9 Ų82.969%0.69154%0.537SS*.  trans-56.6119.8177.300000110.1S164G162-S164 PolarHBondContact O-N 2.58Å; G162-S164 VanDerWaalsContact O-N 3.1Å
163S42.3Very low50Low81 Ų8187.2 Ų87.257%0.56657%0.57SS**  trans-64.5108.3162.3-57.80000106I161 N165I161-S163 PolarHBondContact O-N 3.36Å; I161-S163 VanDerWaalsContact O-N 3.12Å; S163-N165 PolarHBondContact O-N 2.57Å
164S31.2Very low47.3Very low113 Ų11391 Ų9179%0.7960%0.597SS**  trans-68.373.7170.354.60000108.5G162 S166G162-S164 PolarHBondContact O-N 2.58Å; G162-S164 VanDerWaalsContact O-N 3.1Å; S164-S166 PolarHBondContact O-N 2.9Å
165N32.1Very low44.7Very low140 Ų14095.9 Ų95.975%0.74963%0.628SS**  trans-74.5107165.6-84.5-1.1000106.4S163 A167S163-N165 PolarHBondContact O-N 2.57Å; N165-A167 PolarHBondContact O-N 3.24Å
166S28.7Very low42.6Very low121 Ų121104.1 Ų104.185%0.84666%0.662SS**  trans-54.3105.9170.5-65.70000108.2S164 N168S164-S166 PolarHBondContact O-N 2.9Å; S166-N168 PolarHBondContact O-N 3.25Å
167A27.9Very low41Very low92 Ų92105.1 Ų105.176%0.7668%0.678SS**  trans-64.5114.7171.200000108.4N165N165-A167 PolarHBondContact O-N 3.24Å
168N27.8Very low39.3Very low157 Ų157108 Ų10884%0.8470%0.699SS**  trans-158.483.4159.3-109.67.6000108.8S166S166-N168 PolarHBondContact O-N 3.25Å
169S26.9Very low38.1Very low112 Ų112114.1 Ų114.178%0.78373%0.733SS**  trans-161.2110.8155-78.30000108.8
170P30.1Very low36.1Very low133 Ų133115.6 Ų115.686%0.86475%0.747SS**PPolyproline II helixtrans-80.1126.4-179.130.1-30000110.6
171S30.1Very low34.4Very low113 Ų113118 Ų11879%0.7977%0.771SS**PPolyproline II helixtrans-89.3135170.8-41.50000109.8
172P32.2Very low32.3Very low127 Ų127121.2 Ų121.283%0.82579%0.79SS**PPolyproline II helixtrans-76.4136.3-18029.3-31.2000111.5
173S28.3Very low31.4Very low121 Ų121123.5 Ų123.585%0.84680%0.795SS**PPolyproline II helixtrans-61.7138.6174.330.90000112.5
174S30.1Very low31.1Very low111 Ų111125.6 Ų125.678%0.77681%0.807SS**  trans-131.8120.9161.4-160.90000109.5
175P31.4Very low31.2Very low102 Ų102124.8 Ų124.866%0.66281%0.807SS**  trans-104.6126.3-179.535.6-25.4000111.2
176F33.2Very low31.9Very low198 Ų198124.1 Ų124.187%0.86881%0.81SS**  trans-147.293.1160.6-95.8-84.8000106.8
177S31.9Very low32.2Very low105 Ų105125.9 Ų125.973%0.73481%0.81SS**  67.4100.184.7-70.10000113.8
178T26.9Very low32.4Very low130 Ų130127.9 Ų127.980%0.79881%0.808SS**  trans-43.3135.2163.1-31.70000112.9
179V38.1Very low32.8Very low146 Ų146127.9 Ų127.989%0.88581%0.808SS**  trans-125.7108.1158.3-105.90000108
180S30.5Very low33Very low112 Ų112127.5 Ų127.578%0.78380%0.801SS**  trans-75.2129.1165.7-51.60000108.3
181A37.4Very low33.4Very low108 Ų108129.2 Ų129.289%0.89380%0.797SS**  trans-112.1107.2166.800000107.9
182D28.2Very low33.3Very low157 Ų157132.5 Ų132.584%0.8480%0.8SS**  trans-91.7127.4173.7-165.420.9000107.2
183S33.7Very low33.5Very low114 Ų114132.1 Ų132.180%0.79780%0.795SS**  trans-164.4147.6164.6-83.20000111.6
184P36.8Very low33.7Very low125 Ų125132 Ų13281%0.81279%0.792SS**  trans-106.2170.9-145.334-21.4000114.8
185A32Very low34.1Very low97 Ų97134.4 Ų134.480%0.80279%0.792SS**PPolyproline II helixtrans-63144.8-178.800000114.4
186P47.2Very low34.1Very low125 Ų125136.8 Ų136.881%0.81280%0.799SS**PPolyproline II helixtrans-102.4142.315430.7-18.3000111.7
187D34.9Very low34.3Very low158 Ų158131.3 Ų131.385%0.84578%0.783SS**PPolyproline II helixtrans-62152.6179.3-79.3-45.3000115.2
188D32.1Very low34.5Very low135 Ų135131.7 Ų131.772%0.72278%0.78SS**  trans16.4118.4147.3-88.7-31.6000118.9
189N36.6Very low35.1Very low156 Ų156131.1 Ų131.183%0.83478%0.777SS**  -151115.7126.6-110-42.4000111.9H191N189-H191 PolarHBondContact O-N 3.46Å
190V30.6Very low35.1Very low104 Ų104129 Ų12963%0.6377%0.768SS**  trans-71.3112.3175.8-179.80000108.8
191H38.7Very low35.6Very low169 Ų169128.3 Ų128.378%0.78276%0.764SS**  trans-131.988.8155.1-84.8-65.6000108.4N189 V193N189-H191 PolarHBondContact O-N 3.46Å; H191-V193 PolarHBondContact O-N 2.97Å; H191-V193 VanDerWaalsContact O-N 3.1Å
192E28Very low35.9Very low182 Ų182126.7 Ų126.785%0.8575%0.75SS**  trans-59.8104.2161.1-76.3-179.8138.200108.4
193V36.2Very low36.8Very low120 Ų120124.8 Ų124.873%0.72775%0.746SS**  trans-109.4116.1158.5-164.90000105.9H191 M195H191-V193 PolarHBondContact O-N 2.97Å; H191-V193 VanDerWaalsContact O-N 3.1Å; V193-M195 VanDerWaalsContact C-N 3.26Å; V193-M195 PolarHBondContact O-N 3.44Å
194P34.1Very low37.8Very low119 Ų119126.9 Ų126.977%0.77374%0.743SS**  trans-75.186.1-178.130.8-31.4000107.5D196P194-D196 VanDerWaalsContact C-N 3.34Å; P194-D196 PolarHBondContact O-N 2.72Å
195M37.2Very low39.5Very low161 Ų161124.1 Ų124.179%0.79373%0.726SS**  trans-84.693.2163.6-151.6173177.700105.8V193 T197V193-M195 VanDerWaalsContact C-N 3.26Å; V193-M195 PolarHBondContact O-N 3.44Å; M195-T197 WeakPolarHBondContact CG-OG1 3.27Å; M195-T197 PolarHBondContact O-N 3.1Å
196D31.6Very low41.9Very low151 Ų151122.1 Ų122.181%0.80770%0.704SS**  trans-58.762.9158-90-33.8000108.6P194 T198P194-D196 VanDerWaalsContact C-N 3.34Å; P194-D196 PolarHBondContact O-N 2.72Å; D196-T198 PolarHBondContact O-N 2.78Å
197T37.7Very low43.8Very low84 Ų84119.3 Ų119.352%0.51568%0.68SS.*  trans-7781.4159.3-44.70000103.1M195 V199M195-T197 WeakPolarHBondContact CG-OG1 3.27Å; M195-T197 PolarHBondContact O-N 3.1Å; T197-V199 HydrophobicContact CG2-CG2 4.24Å; T197-V199 PolarHBondContact O-N 2.78Å
198T35.3Very low46.5Very low112 Ų112114.1 Ų114.169%0.68766%0.655SS**  trans-50.496.9147.648.10000104.1D196 S200D196-T198 PolarHBondContact O-N 2.78Å; T198-S200 PolarHBondContact O-N 3.31Å
199V39.3Very low49.4Very low119 Ų119108 Ų10872%0.72162%0.622SS**  trans-64.977.5158.6-175.30000102.1T197 S201T197-V199 HydrophobicContact CG2-CG2 4.24Å; T197-V199 PolarHBondContact O-N 2.78Å; V199-S201 PolarHBondContact O-N 2.83Å
200S38.2Very low52.2Low101 Ų101105.7 Ų105.771%0.70661%0.606SS**  trans-56.488.4148-89.40000102.1T198 A202T198-S200 PolarHBondContact O-N 3.31Å; S200-A202 PolarHBondContact O-N 3.43Å
201S42.4Very low55.2Low98 Ų98102.6 Ų102.669%0.68558%0.584SS**  trans-56.980.3153.3540000103.2V199 P203V199-S201 PolarHBondContact O-N 2.83Å; S201-P203 WeakPolarHBondContact O-CD 3.5Å
202A43.2Very low57.8Low73 Ų7399.9 Ų99.960%0.60357%0.571SS**  trans-47.9117.8167.200000102.5S200 Q204S200-A202 PolarHBondContact O-N 3.43Å; A202-Q204 PolarHBondContact O-N 2.94Å
203P46.4Very low60.8Low118 Ų11896.4 Ų96.477%0.76656%0.555SS**  trans-53.7111.7-17518.3-29.1000104.7S201 C205S201-P203 WeakPolarHBondContact O-CD 3.5Å; P203-C205 VanDerWaalsContact C-N 3.34Å; P203-C205 PolarHBondContact O-N 3.04Å
204Q55.1Low63.5Low157 Ų15791.8 Ų91.873%0.73453%0.528SS*.  trans-51.8112.9177.1-77.9-172.2-22.800103.6A202 V206A202-Q204 PolarHBondContact O-N 2.94Å; Q204-V206 HydrophobicContact CB-CG1 4.34Å; Q204-V206 PolarHBondContact O-N 2.81Å
205C72.4Confident66.3Low67 Ų6792.3 Ų92.345%0.45352%0.52SS..  trans-72.286.3-172.6-171.90000105.3R123 P203R123-C205 VanDerWaalsContact CB-O 3.27Å; R123-C205 WeakPolarHBondContact CB-O 3.4Å; R123-C205 WeakPolarHBondContact CG-O 3.3Å; R123-C205 PolarHBondContact N-O 2.74Å; R123-C205 VanDerWaalsContact N-O 3.08Å; P203-C205 VanDerWaalsContact C-N 3.34Å; P203-C205 PolarHBondContact O-N 3.04Å
206V82.9Confident69.1Low56 Ų5687.1 Ų87.134%0.33949%0.493SS..EExtended strand (participates in β ladder)trans-86.8134.6178.8-70.30000107.9L120 V121 Q204L120-V206 HydrophobicContact CB-CB 4.18Å; L120-V206 HydrophobicContact CB-CG2 4.5Å; L120-V206 HydrophobicContact CD1-CG2 4.3Å; L120-V206 HydrophobicContact CD2-CG2 4.46Å; V121-V206 WeakPolarHBondContact O-CA 3.34Å; Q204-V206 HydrophobicContact CB-CG1 4.34Å; Q204-V206 PolarHBondContact O-N 2.81Å
207Q86.1Confident72.2Confident66 Ų6680.5 Ų80.531%0.30846%0.457SS..EExtended strand (participates in β ladder)trans-101.1126.1174.9-170.56535.100109.2V121V121-Q207 PolarHBondContact N-O 3.06Å; V121-Q207 PolarHBondContact O-N 3.17Å
208P92.8Very high75.1Confident49 Ų4976.5 Ų76.532%0.31843%0.432SS..EExtended strand (participates in β ladder)trans-74.8130.2173.228.6-33.6000111.5P118 L120P118-P208 HydrophobicContact CB-CB 3.69Å; P118-P208 HydrophobicContact CG-CB 4.01Å; L120-P208 HydrophobicContact CD2-CB 3.96Å
209V93.5Very high78.1Confident5 Ų571.5 Ų71.53%0.0340%0.401CS..EExtended strand (participates in β ladder)trans-109109.7170.5-170.90000109.4P118 V119 V121 W392 K395 V396 Q399P118-V209 WeakPolarHBondContact CA-O 3.28Å; V119-V209 PolarHBondContact N-O 3.42Å; V119-V209 PolarHBondContact O-N 3.4Å; V121-V209 HydrophobicContact CG2-CG2 3.74Å; V209-W392 PolarHBondContact O-NE1 3.44Å; V209-K395 HydrophobicContact CG1-CB 3.73Å; V209-V396 HydrophobicContact CB-CG2 3.95Å; V209-V396 HydrophobicContact CG1-CG2 3.92Å; V209-V396 HydrophobicContact CG2-CG2 4.13Å; V209-Q399 HydrophobicContact CG2-CG 4.32Å
210H93.9Very high80.9Confident109 Ų10965.9 Ų65.951%0.50537%0.367SS..  trans-85.6140-179.8-66.4-97.2000111.7
211Y94.6Very high83.8Confident39 Ų3961.2 Ų61.215%0.15334%0.335CS..  trans-63.5141.4166180-97.9000110.1L116 E213 Y284 N331 W392L116-Y211 HydrophobicContact CD1-CD1 4Å; L116-Y211 HydrophobicContact CD1-CD2 4.39Å; L116-Y211 HydrophobicContact CD1-CG 3.94Å; Y211-E213 WeakPolarHBondContact CE1-OE2 3.13Å; Y211-E213 PolarHBondContact OH-OE1 3.41Å; Y211-Y284 PolarHBondContact OH-OH 3.45Å; Y211-N331 WeakPolarHBondContact CE2-ND2 3.33Å; Y211-N331 VanDerWaalsContact CZ-ND2 3.28Å; Y211-W392 HydrophobicContact CD2-CB 4.01Å; Y211-W392 AromaticContact CD2-CD2 3.85Å; Y211-W392 HydrophobicContact CD2-CD2 3.85Å; Y211-W392 AromaticContact CD2-CE3 3.48Å; Y211-W392 HydrophobicContact CD2-CE3 3.48Å; Y211-W392 VanDerWaalsContact CD2-CE3 3.48Å; Y211-W392 HydrophobicContact CD2-CG 4.12Å; Y211-W392 HydrophobicContact CD2-CZ3 4.09Å; Y211-W392 HydrophobicContact CE2-CE3 4.44Å; Y211-W392 HydrophobicContact CG-CD2 4.34Å; Y211-W392 HydrophobicContact CG-CE3 4.09Å; Y211-W392 HydrophobicContact CG-CZ3 4.37Å
212Q92.1Very high86.4Confident111 Ų11156.6 Ų56.652%0.51930%0.302SS..  trans-129.3133.4173.9-70.9178.2-900108.2
213E91.2Very high89.1Confident110 Ų11055 Ų5551%0.51428%0.281SS..  trans-68.5125.9177.3-160.464.3-130.900109.4Y211 Y284Y211-E213 WeakPolarHBondContact CE1-OE2 3.13Å; Y211-E213 PolarHBondContact OH-OE1 3.41Å; E213-Y284 WeakPolarHBondContact OE1-CE1 3.28Å; E213-Y284 PolarHBondContact OE1-OH 2.8Å; E213-Y284 PolarHBondContact OE2-OH 3.44Å
214P92.9Very high91.6Very high23 Ų2349.5 Ų49.515%0.14925%0.245CC..  trans-76.3158.7179.836.3-41.2000111.2F216 H387P214-F216 VanDerWaalsContact C-N 3.34Å; P214-F216 VanDerWaalsContact CB-O 3.28Å; P214-F216 WeakPolarHBondContact CB-O 3.25Å; P214-F216 VanDerWaalsContact CG-O 3.27Å; P214-F216 WeakPolarHBondContact CG-O 3.04Å; P214-H387 HydrophobicContact CB-CB 4.01Å; P214-H387 HydrophobicContact CG-CB 4.16Å
215E92.9Very high93.6Very high130 Ų13044.4 Ų44.461%0.60722%0.222SC*.SBendtrans-65.3-38.2173.1-174.9-171.6168.800112.3R236E215-R236 IonicContact OE1-CZ 3.76Å; E215-R236 IonicContact OE1-NE 3.82Å; E215-R236 IonicContact OE1-NH2 3.22Å; E215-R236 PolarHBondContact OE1-NH2 3.33Å
216F96Very high94.8Very high52 Ų5247.1 Ų47.123%0.22823%0.233CC..SBendtrans-114.7123.1171.4-59.6-89.2000107.1P214 C218 K234 V235 R236 H387P214-F216 VanDerWaalsContact C-N 3.34Å; P214-F216 VanDerWaalsContact CB-O 3.28Å; P214-F216 WeakPolarHBondContact CB-O 3.25Å; P214-F216 VanDerWaalsContact CG-O 3.27Å; P214-F216 WeakPolarHBondContact CG-O 3.04Å; F216-C218 VanDerWaalsContact C-N 3.34Å; F216-K234 HydrophobicContact CB-CB 4.36Å; F216-K234 HydrophobicContact CD1-CB 3.55Å; F216-K234 HydrophobicContact CD2-CD 4.46Å; F216-K234 HydrophobicContact CE1-CB 3.92Å; F216-K234 HydrophobicContact CG-CB 3.92Å; F216-V235 CarbonylContact C-O 3.48Å; F216-V235 VanDerWaalsContact CA-O 3.31Å; F216-V235 WeakPolarHBondContact CA-O 3.24Å; F216-R236 HydrophobicContact CD1-CB 3.9Å; F216-R236 HydrophobicContact CE1-CB 4.03Å; F216-H387 VanDerWaalsContact O-CB 3.27Å; F216-H387 WeakPolarHBondContact O-CB 3.42Å; F216-H387 PolarHBondContact O-ND1 2.87Å; F216-H387 VanDerWaalsContact O-ND1 3.11Å
217W96.6Very high95.5Very high12 Ų1246.2 Ų46.25%0.04523%0.228CC..SBendtrans-77-25.7-175.466-93.6000112.2V235 S237 V240 L282 Y284 V289 L386 H387W217-V235 VanDerWaalsContact CD1-O 3.29Å; W217-V235 HydrophobicContact CZ2-CB 4.28Å; W217-V235 HydrophobicContact CZ2-CG1 3.87Å; W217-V235 PolarHBondContact N-O 3.21Å; W217-S237 PolarHBondContact NE1-O 3.33Å; W217-V240 HydrophobicContact CZ2-CG1 4.05Å; W217-L282 HydrophobicContact CH2-CB 4.03Å; W217-L282 HydrophobicContact CH2-CD1 4.41Å; W217-Y284 HydrophobicContact CB-CD1 3.76Å; W217-Y284 HydrophobicContact CB-CE1 3.99Å; W217-Y284 HydrophobicContact CB-CG 4.12Å; W217-Y284 HydrophobicContact CD2-CD1 4.35Å; W217-Y284 AromaticContact CD2-CG 3.93Å; W217-Y284 HydrophobicContact CD2-CG 3.93Å; W217-Y284 HydrophobicContact CE3-CD2 4.26Å; W217-Y284 HydrophobicContact CE3-CG 4.1Å; W217-Y284 AromaticContact CG-CD1 3.85Å; W217-Y284 HydrophobicContact CG-CD1 3.85Å; W217-Y284 AromaticContact CG-CG 3.92Å; W217-Y284 HydrophobicContact CG-CG 3.92Å; W217-V289 HydrophobicContact CH2-CG1 4.42Å; W217-V289 HydrophobicContact CZ3-CG1 4.14Å; W217-V289 HydrophobicContact CZ3-CG2 4.15Å; W217-L386 HydrophobicContact CE3-CD2 4.15Å; W217-L386 HydrophobicContact CZ3-CD2 3.96Å; W217-H387 PolarHBondContact O-N 3.25Å
218C98.4Very high96.1Very high0 Ų048.9 Ų48.90%024%0.236CC..EExtended strand (participates in β ladder)trans-149.4170170.574.30000113.9F216 V235 V384 H385 L386F216-C218 VanDerWaalsContact C-N 3.34Å; C218-V235 PolarHBondContact O-N 3.35Å; C218-V384 HydrophobicContact CB-CG1 3.79Å; C218-H385 CarbonylContact C-O 3.36Å; C218-H385 WeakPolarHBondContact CA-O 3.39Å; C218-H385 WeakPolarHBondContact CB-O 3.5Å; C218-L386 HydrophobicContact CB-CD2 4.08Å
219S98.4Very high96.3Very high6 Ų647 Ų474%0.04222%0.223CC..EExtended strand (participates in β ladder)trans-121146.9159.152.90000111.7F233 V384 H385 H387S219-F233 CarbonylContact C-O 3.58Å; S219-F233 WeakPolarHBondContact CA-O 3.37Å; S219-V384 CarbonylContact O-C 3.52Å; S219-V384 WeakPolarHBondContact O-CA 3.34Å; S219-H385 PolarHBondContact N-O 3.41Å; S219-H385 PolarHBondContact O-N 2.93Å; S219-H387 VanDerWaalsContact CB-NE2 3.34Å; S219-H387 WeakPolarHBondContact CB-NE2 3.36Å; S219-H387 PolarHBondContact N-NE2 3.19Å; S219-H387 VanDerWaalsContact N-NE2 3.18Å; S219-H387 PolarHBondContact OG-NE2 3.17Å
220I98.6Very high96.4Very high2 Ų249 Ų491%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-124.1124.9-176.3-53.1-178.3000109F233 V235 V240 I242 I255 L282 I382 E383 V384I220-F233 HydrophobicContact CB-CB 4.45Å; I220-F233 PolarHBondContact N-O 3.35Å; I220-F233 WeakPolarHBondContact O-CD2 3.19Å; I220-F233 PolarHBondContact O-N 3.34Å; I220-V235 HydrophobicContact CD1-CG2 3.8Å; I220-V235 HydrophobicContact CG1-CG2 4.03Å; I220-V240 HydrophobicContact CD1-CG1 4.11Å; I220-I242 HydrophobicContact CD1-CD1 3.94Å; I220-I242 HydrophobicContact CD1-CG1 4.3Å; I220-I255 HydrophobicContact CB-CD1 4.49Å; I220-I255 HydrophobicContact CD1-CD1 4.11Å; I220-L282 HydrophobicContact CD1-CD1 3.92Å; I220-I382 HydrophobicContact CG2-CB 3.89Å; I220-I382 HydrophobicContact CG2-CD1 4.03Å; I220-I382 HydrophobicContact CG2-CG1 4.49Å; I220-I382 HydrophobicContact CG2-CG2 4.03Å; I220-E383 WeakPolarHBondContact CA-O 3.33Å; I220-V384 HydrophobicContact CG1-CG1 4.34Å; I220-V384 HydrophobicContact CG1-CG2 4.19Å; I220-V384 HydrophobicContact CG2-CG2 4.48Å
221A98.7Very high96.3Very high2 Ų249.8 Ų49.82%0.01725%0.248CC..EExtended strand (participates in β ladder)trans-110.5134.2171.300000109.7Y223 L232 I382 E383A221-Y223 HydrophobicContact CB-CD2 4.38Å; A221-Y223 HydrophobicContact CB-CE2 3.59Å; A221-L232 HydrophobicContact CB-CD1 3.81Å; A221-I382 CarbonylContact O-C 3.59Å; A221-I382 WeakPolarHBondContact O-CA 3.47Å; A221-I382 WeakPolarHBondContact O-CB 3.33Å; A221-E383 PolarHBondContact N-O 3Å; A221-E383 PolarHBondContact O-N 3.05Å
222Y98.7Very high96.4Very high1 Ų151.3 Ų51.30%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-98.2142174.8175.4-115.5000111.2E224 I229 L257 L260 R273 C380 W381 I382Y222-E224 HydrophobicContact CE1-CG 3.69Å; Y222-E224 VanDerWaalsContact CE1-OE1 3.32Å; Y222-E224 WeakPolarHBondContact CE1-OE1 3.2Å; Y222-E224 WeakPolarHBondContact OH-CG 3.34Å; Y222-E224 PolarHBondContact OH-OE1 2.62Å; Y222-I229 HydrophobicContact CD1-CB 3.8Å; Y222-I229 HydrophobicContact CD1-CG1 4.49Å; Y222-I229 HydrophobicContact CD1-CG2 4.19Å; Y222-I229 HydrophobicContact CE1-CB 4.13Å; Y222-I229 HydrophobicContact CE1-CG1 4.45Å; Y222-I229 HydrophobicContact CE1-CG2 4.31Å; Y222-I229 PolarHBondContact O-N 2.83Å; Y222-L257 HydrophobicContact CD1-CD2 4.01Å; Y222-L257 HydrophobicContact CD2-CD1 3.8Å; Y222-L257 HydrophobicContact CD2-CD2 3.86Å; Y222-L257 HydrophobicContact CD2-CG 4.43Å; Y222-L257 HydrophobicContact CE2-CD1 3.7Å; Y222-L257 HydrophobicContact CE2-CD2 4.39Å; Y222-L257 HydrophobicContact CG-CD1 4.43Å; Y222-L257 HydrophobicContact CG-CD2 3.65Å; Y222-L260 HydrophobicContact CD1-CD1 3.54Å; Y222-L260 HydrophobicContact CE1-CD1 4.2Å; Y222-L260 HydrophobicContact CG-CD1 4.29Å; Y222-R273 PolarHBondContact OH-NH1 3.28Å; Y222-C380 HydrophobicContact CE2-CB 4.02Å; Y222-C380 PolarHBondContact OH-SG 3.32Å; Y222-C380 VanDerWaalsContact OH-SG 3.34Å; Y222-W381 VanDerWaalsContact CD2-O 3.23Å; Y222-W381 WeakPolarHBondContact CD2-O 3.49Å; Y222-I382 HydrophobicContact CD2-CG2 3.9Å
223Y98.8Very high96.5Very high40 Ų4047.9 Ų47.916%0.15724%0.242CC..EExtended strand (participates in β ladder)trans-134.2144.9-177.7-66-96.4000111.1A221 S227 R228 C380 W381 E383A221-Y223 HydrophobicContact CB-CD2 4.38Å; A221-Y223 HydrophobicContact CB-CE2 3.59Å; Y223-S227 VanDerWaalsContact CA-O 3.28Å; Y223-S227 WeakPolarHBondContact CA-O 3.39Å; Y223-R228 VanDerWaalsContact CD1-CA 3.48Å; Y223-R228 HydrophobicContact CD1-CB 3.81Å; Y223-R228 HydrophobicContact CD1-CG 4.32Å; Y223-R228 HydrophobicContact CE1-CB 3.5Å; Y223-R228 HydrophobicContact CE1-CG 3.89Å; Y223-C380 WeakPolarHBondContact O-CA 3.19Å; Y223-W381 VanDerWaalsContact CB-NE1 3.25Å; Y223-W381 HydrophobicContact CD1-CH2 4.28Å; Y223-W381 AromaticContact CD1-CZ2 3.79Å; Y223-W381 HydrophobicContact CD1-CZ2 3.79Å; Y223-W381 HydrophobicContact CD2-CD2 4.16Å; Y223-W381 AromaticContact CD2-CE2 3.97Å; Y223-W381 HydrophobicContact CD2-CE3 4.12Å; Y223-W381 AromaticContact CD2-CH2 3.67Å; Y223-W381 HydrophobicContact CD2-CH2 3.67Å; Y223-W381 AromaticContact CD2-CZ2 3.72Å; Y223-W381 HydrophobicContact CD2-CZ2 3.72Å; Y223-W381 AromaticContact CD2-CZ3 3.9Å; Y223-W381 HydrophobicContact CD2-CZ3 3.9Å; Y223-W381 HydrophobicContact CE1-CH2 4.43Å; Y223-W381 HydrophobicContact CE1-CZ2 4.32Å; Y223-W381 AromaticContact CE2-CH2 3.83Å; Y223-W381 HydrophobicContact CE2-CH2 3.83Å; Y223-W381 HydrophobicContact CE2-CZ2 4.25Å; Y223-W381 HydrophobicContact CE2-CZ3 4.13Å; Y223-W381 HydrophobicContact CG-CD2 4.24Å; Y223-W381 AromaticContact CG-CE2 3.65Å; Y223-W381 AromaticContact CG-CH2 3.91Å; Y223-W381 HydrophobicContact CG-CH2 3.91Å; Y223-W381 AromaticContact CG-CZ2 3.46Å; Y223-W381 HydrophobicContact CG-CZ2 3.46Å; Y223-W381 VanDerWaalsContact CG-CZ2 3.46Å; Y223-W381 HydrophobicContact CG-CZ3 4.48Å; Y223-W381 PolarHBondContact N-O 3.15Å; Y223-W381 PolarHBondContact O-N 3.43Å; Y223-E383 HydrophobicContact CE2-CB 3.84Å
224E98.6Very high96.7Very high2 Ų248.8 Ų48.81%0.00924%0.244CC..EExtended strand (participates in β ladder)trans-118.3112.5166.1-68.5179.7177.400107.8Y222 N226 S227 I229 N262 R265 I269 R273 P379Y222-E224 HydrophobicContact CE1-CG 3.69Å; Y222-E224 VanDerWaalsContact CE1-OE1 3.32Å; Y222-E224 WeakPolarHBondContact CE1-OE1 3.2Å; Y222-E224 WeakPolarHBondContact OH-CG 3.34Å; Y222-E224 PolarHBondContact OH-OE1 2.62Å; E224-N226 PolarHBondContact O-N 2.82Å; E224-S227 PolarHBondContact N-O 3.09Å; E224-S227 PolarHBondContact O-N 3.3Å; E224-I229 HydrophobicContact CB-CD1 4.47Å; E224-I229 HydrophobicContact CB-CG1 3.92Å; E224-I229 HydrophobicContact CG-CG1 3.86Å; E224-N262 WeakPolarHBondContact OE2-CB 3.34Å; E224-N262 PolarHBondContact OE2-ND2 3.19Å; E224-R265 VanDerWaalsContact CD-NH2 3.3Å; E224-R265 IonicContact OE1-CZ 2.9Å; E224-R265 IonicContact OE1-NE 3.07Å; E224-R265 PolarHBondContact OE1-NE 2.81Å; E224-R265 IonicContact OE1-NH2 2.78Å; E224-R265 PolarHBondContact OE1-NH2 2.71Å; E224-R265 IonicContact OE2-CZ 2.82Å; E224-R265 IonicContact OE2-NE 3.78Å; E224-R265 PolarHBondContact OE2-NE 3.09Å; E224-R265 IonicContact OE2-NH2 3.17Å; E224-R265 PolarHBondContact OE2-NH2 2.8Å; E224-R265 VanDerWaalsContact OE2-NH2 3.13Å; E224-I269 HydrophobicContact CB-CD1 4.15Å; E224-I269 HydrophobicContact CB-CG2 4.12Å; E224-I269 VanDerWaalsContact CD-CG2 3.41Å; E224-I269 HydrophobicContact CG-CG2 3.8Å; E224-I269 WeakPolarHBondContact OE2-CG2 3.42Å; E224-R273 WeakPolarHBondContact OE1-CD 3.11Å; E224-R273 IonicContact OE1-CZ 2.82Å; E224-R273 IonicContact OE1-NE 3.26Å; E224-R273 IonicContact OE1-NH1 3.46Å; E224-R273 PolarHBondContact OE1-NH1 2.79Å; E224-P379 VanDerWaalsContact CA-O 3.28Å; E224-P379 WeakPolarHBondContact CA-O 3.41Å
225L97.9Very high96.9Very high50 Ų5047.8 Ų47.826%0.26224%0.238SC..THydrogen-bonded Turntrans54.3-121-167.2-57.1170.3000110.9I269 T376 T378 W381L225-I269 HydrophobicContact CD1-CD1 3.87Å; L225-I269 HydrophobicContact CD1-CG1 4.44Å; L225-I269 HydrophobicContact CG-CD1 4.08Å; L225-I269 HydrophobicContact CG-CG1 4.36Å; L225-T376 CarbonylContact C-O 3.53Å; L225-T376 WeakPolarHBondContact CA-O 3.27Å; L225-T378 WeakPolarHBondContact CA-O 3.38Å; L225-T378 PolarHBondContact N-O 3.34Å; L225-W381 PolarHBondContact O-NE1 2.93Å
226N96.8Very high96.9Very high125 Ų12547.6 Ų47.667%0.66823%0.232SC*.THydrogen-bonded Turntrans-94.74.9178.965.7-13.4000113.7E224 T376E224-N226 PolarHBondContact O-N 2.82Å; N226-T376 PolarHBondContact N-O 2.82Å
227S98.1Very high96.7Very high36 Ų3646.9 Ų46.925%0.25223%0.233SC..EExtended strand (participates in β ladder)trans-103.9125.5-175.7-640000110.7Y223 E224Y223-S227 VanDerWaalsContact CA-O 3.28Å; Y223-S227 WeakPolarHBondContact CA-O 3.39Å; E224-S227 PolarHBondContact N-O 3.09Å; E224-S227 PolarHBondContact O-N 3.3Å
228R98.2Very high96.4Very high122 Ų12251.9 Ų51.946%0.4626%0.257SS..EExtended strand (participates in β ladder)trans-74.2127.5172.8-171.6171.2170.3-113.8-18.4109.8Y223 E231 L232Y223-R228 VanDerWaalsContact CD1-CA 3.48Å; Y223-R228 HydrophobicContact CD1-CB 3.81Å; Y223-R228 HydrophobicContact CD1-CG 4.32Å; Y223-R228 HydrophobicContact CE1-CB 3.5Å; Y223-R228 HydrophobicContact CE1-CG 3.89Å; R228-E231 PolarHBondContact NH2-O 2.93Å; R228-L232 VanDerWaalsContact NH2-CA 3.26Å
229I98.1Very high96.2Very high11 Ų1152.9 Ų52.96%0.05626%0.263CS..EExtended strand (participates in β ladder)trans-118131-173.8-51.6-53.2000109.9Y222 E224 L260 S261 N262Y222-I229 HydrophobicContact CD1-CB 3.8Å; Y222-I229 HydrophobicContact CD1-CG1 4.49Å; Y222-I229 HydrophobicContact CD1-CG2 4.19Å; Y222-I229 HydrophobicContact CE1-CB 4.13Å; Y222-I229 HydrophobicContact CE1-CG1 4.45Å; Y222-I229 HydrophobicContact CE1-CG2 4.31Å; Y222-I229 PolarHBondContact O-N 2.83Å; E224-I229 HydrophobicContact CB-CD1 4.47Å; E224-I229 HydrophobicContact CB-CG1 3.92Å; E224-I229 HydrophobicContact CG-CG1 3.86Å; I229-L260 HydrophobicContact CG2-CB 3.91Å; I229-S261 WeakPolarHBondContact CG2-O 3.39Å; I229-N262 HydrophobicContact CD1-CB 3.83Å; I229-N262 VanDerWaalsContact CD1-CG 3.47Å; I229-N262 WeakPolarHBondContact CD1-ND2 3.29Å; I229-N262 HydrophobicContact CG1-CB 4.41Å; I229-N262 HydrophobicContact CG2-CB 4.38Å
230G94.3Very high96Very high45 Ų4552.7 Ų52.746%0.46426%0.261SS..EExtended strand (participates in β ladder)trans72.8-163.1-179.900000113.4
231E92.6Very high96Very high127 Ų12754 Ų5459%0.59327%0.269SS*.EExtended strand (participates in β ladder)trans-88.8178.1-176.965.8-174.6-179.300113.4R228 F233R228-E231 PolarHBondContact NH2-O 2.93Å; E231-F233 HydrophobicContact CG-CD1 4.37Å; E231-F233 HydrophobicContact CG-CE1 3.99Å; E231-F233 HydrophobicContact CG-CZ 4.19Å
232L95.7Very high95.9Very high71 Ų7153.9 Ų53.937%0.37227%0.268SS..EExtended strand (participates in β ladder)trans-92.4113.1174.1-173.267.3000107.4A221 R228 K234A221-L232 HydrophobicContact CB-CD1 3.81Å; R228-L232 VanDerWaalsContact NH2-CA 3.26Å; L232-K234 PolarHBondContact O-N 2.82Å
233F95.1Very high95.9Very high39 Ų3954 Ų5417%0.17127%0.269CS..EExtended strand (participates in β ladder)trans-80120.3179.3-56.6-80.8000109.3S219 I220 E231 I255S219-F233 CarbonylContact C-O 3.58Å; S219-F233 WeakPolarHBondContact CA-O 3.37Å; I220-F233 HydrophobicContact CB-CB 4.45Å; I220-F233 PolarHBondContact N-O 3.35Å; I220-F233 WeakPolarHBondContact O-CD2 3.19Å; I220-F233 PolarHBondContact O-N 3.34Å; E231-F233 HydrophobicContact CG-CD1 4.37Å; E231-F233 HydrophobicContact CG-CE1 3.99Å; E231-F233 HydrophobicContact CG-CZ 4.19Å; F233-I255 HydrophobicContact CB-CD1 3.57Å; F233-I255 HydrophobicContact CB-CG1 4.33Å; F233-I255 HydrophobicContact CD1-CD1 4.27Å; F233-I255 HydrophobicContact CD1-CG1 4.17Å; F233-I255 HydrophobicContact CD1-CG2 4.17Å; F233-I255 HydrophobicContact CD2-CD1 4.13Å; F233-I255 HydrophobicContact CD2-CG2 3.98Å; F233-I255 HydrophobicContact CE1-CG2 4.02Å; F233-I255 HydrophobicContact CE2-CG2 3.83Å; F233-I255 HydrophobicContact CG-CD1 3.72Å; F233-I255 HydrophobicContact CG-CG1 4.13Å; F233-I255 HydrophobicContact CG-CG2 4.16Å; F233-I255 HydrophobicContact CZ-CG2 3.84Å
234K96.1Very high95.8Very high128 Ų12853 Ų5356%0.55727%0.271SS*.EExtended strand (participates in β ladder)trans-95.5126.6172.3-62.9-175-179.8-178.20108.8F216 L232F216-K234 HydrophobicContact CB-CB 4.36Å; F216-K234 HydrophobicContact CD1-CB 3.55Å; F216-K234 HydrophobicContact CD2-CD 4.46Å; F216-K234 HydrophobicContact CE1-CB 3.92Å; F216-K234 HydrophobicContact CG-CB 3.92Å; L232-K234 PolarHBondContact O-N 2.82Å
235V95.8Very high95.7Very high3 Ų357.4 Ų57.42%0.01829%0.29CS..EExtended strand (participates in β ladder)trans-106.1114.6-171.3-1710000110.1F216 W217 C218 I220 S237 V240F216-V235 CarbonylContact C-O 3.48Å; F216-V235 VanDerWaalsContact CA-O 3.31Å; F216-V235 WeakPolarHBondContact CA-O 3.24Å; W217-V235 VanDerWaalsContact CD1-O 3.29Å; W217-V235 HydrophobicContact CZ2-CB 4.28Å; W217-V235 HydrophobicContact CZ2-CG1 3.87Å; W217-V235 PolarHBondContact N-O 3.21Å; C218-V235 PolarHBondContact O-N 3.35Å; I220-V235 HydrophobicContact CD1-CG2 3.8Å; I220-V235 HydrophobicContact CG1-CG2 4.03Å; V235-S237 WeakPolarHBondContact CG1-O 3.16Å; V235-V240 HydrophobicContact CG1-CB 3.76Å; V235-V240 HydrophobicContact CG1-CG1 3.82Å; V235-V240 HydrophobicContact CG1-CG2 4.33Å; V235-V240 HydrophobicContact CG2-CG1 4.25Å; V235-V240 HydrophobicContact CG2-CG2 4.48Å
236R92.8Very high95.5Very high126 Ų12659.1 Ų59.148%0.47530%0.303SS..  trans-93.2-38.5172.4-176.3-178-68.7-177.22.3111.7E215 F216 H238E215-R236 IonicContact OE1-CZ 3.76Å; E215-R236 IonicContact OE1-NE 3.82Å; E215-R236 IonicContact OE1-NH2 3.22Å; E215-R236 PolarHBondContact OE1-NH2 3.33Å; F216-R236 HydrophobicContact CD1-CB 3.9Å; F216-R236 HydrophobicContact CE1-CB 4.03Å; R236-H238 PolarHBondContact O-N 2.81Å
237S92.3Very high95.1Very high37 Ų3755.5 Ų55.526%0.25928%0.283SS..SBendtrans-62135.2-179.8179.70000111.1W217 V235 T239 D252W217-S237 PolarHBondContact NE1-O 3.33Å; V235-S237 WeakPolarHBondContact CG1-O 3.16Å; S237-T239 VanDerWaalsContact CB-O 3.32Å; S237-T239 WeakPolarHBondContact CB-O 2.96Å; S237-T239 PolarHBondContact O-N 2.96Å; S237-T239 PolarHBondContact OG-N 2.87Å; S237-T239 PolarHBondContact OG-O 2.91Å; S237-D252 WeakPolarHBondContact CB-O 3.34Å
238H91Very high94.2Very high117 Ų11759 Ų5954%0.54231%0.306SS..SBendtrans-60.5-16.5175.2-70.989.1000113.2R236 S283 Y284R236-H238 PolarHBondContact O-N 2.81Å; H238-S283 CarbonylContact O-C 3.45Å; H238-S283 WeakPolarHBondContact O-CA 3.3Å; H238-Y284 PolarHBondContact CD2-O 2.94Å; H238-Y284 PolarHBondContact O-N 3.05Å
239T93.1Very high93.3Very high21 Ų2155.5 Ų55.513%0.12930%0.3CS..EExtended strand (participates in β ladder)trans-134.8135.5172.8-69.30000109.7S237 Q281 L282 S283S237-T239 VanDerWaalsContact CB-O 3.32Å; S237-T239 WeakPolarHBondContact CB-O 2.96Å; S237-T239 PolarHBondContact O-N 2.96Å; S237-T239 PolarHBondContact OG-N 2.87Å; S237-T239 PolarHBondContact OG-O 2.91Å; T239-Q281 VanDerWaalsContact CG2-CD 3.41Å; T239-Q281 HydrophobicContact CG2-CG 3.39Å; T239-L282 VanDerWaalsContact CA-O 3.29Å; T239-L282 WeakPolarHBondContact CA-O 3.42Å; T239-S283 PolarHBondContact OG1-OG 3.01Å; T239-S283 VanDerWaalsContact OG1-OG 3.06Å
240V95.6Very high92.2Very high1 Ų162.4 Ų62.41%0.00634%0.336CS..EExtended strand (participates in β ladder)trans-134132175.861.30000109.9W217 I220 V235 I242 D253 I255 Q281 L282W217-V240 HydrophobicContact CZ2-CG1 4.05Å; I220-V240 HydrophobicContact CD1-CG1 4.11Å; V235-V240 HydrophobicContact CG1-CB 3.76Å; V235-V240 HydrophobicContact CG1-CG1 3.82Å; V235-V240 HydrophobicContact CG1-CG2 4.33Å; V235-V240 HydrophobicContact CG2-CG1 4.25Å; V235-V240 HydrophobicContact CG2-CG2 4.48Å; V240-I242 HydrophobicContact CG1-CD1 4.04Å; V240-I242 HydrophobicContact CG2-CD1 4.37Å; V240-D253 CarbonylContact C-O 3.59Å; V240-D253 WeakPolarHBondContact CA-O 3.3Å; V240-I255 HydrophobicContact CG2-CD1 3.89Å; V240-I255 HydrophobicContact CG2-CG1 4Å; V240-Q281 WeakPolarHBondContact O-CA 3.42Å; V240-L282 HydrophobicContact CG1-CB 3.92Å; V240-L282 PolarHBondContact N-O 3.36Å; V240-L282 PolarHBondContact O-N 2.81Å
241V97Very high91.7Very high30 Ų3066.3 Ų66.318%0.18234%0.337CS..EExtended strand (participates in β ladder)trans-98.4127172.6176.20000108.9D243 D253 R254 I255 V280 Q281 L294V241-D243 HydrophobicContact CG1-CB 4.26Å; V241-D253 PolarHBondContact N-O 2.94Å; V241-R254 CarbonylContact O-C 3.55Å; V241-R254 WeakPolarHBondContact O-CA 3.36Å; V241-I255 PolarHBondContact O-N 3.18Å; V241-V280 CarbonylContact C-O 3.45Å; V241-V280 WeakPolarHBondContact CA-O 3.12Å; V241-Q281 HydrophobicContact CG2-CB 4.22Å; V241-Q281 HydrophobicContact CG2-CG 4.09Å; V241-L294 HydrophobicContact CG1-CD1 4.27Å; V241-L294 HydrophobicContact CG2-CD1 4.25Å
242I98Very high91.4Very high0 Ų065.5 Ų65.50%034%0.337CS..EExtended strand (participates in β ladder)trans-111.7114.7172.5-53.993.7000107.9I220 V240 I255 L257 G279 V280 L282 F362 I382I220-I242 HydrophobicContact CD1-CD1 3.94Å; I220-I242 HydrophobicContact CD1-CG1 4.3Å; V240-I242 HydrophobicContact CG1-CD1 4.04Å; V240-I242 HydrophobicContact CG2-CD1 4.37Å; I242-I255 WeakPolarHBondContact CA-O 3.3Å; I242-I255 HydrophobicContact CG1-CB 4.13Å; I242-I255 HydrophobicContact CG1-CD1 4.01Å; I242-I255 HydrophobicContact CG2-CB 4.37Å; I242-I255 HydrophobicContact CG2-CG2 4.4Å; I242-L257 HydrophobicContact CG2-CD1 3.87Å; I242-L257 HydrophobicContact CG2-CD2 4.1Å; I242-L257 HydrophobicContact CG2-CG 3.93Å; I242-G279 CarbonylContact O-C 3.52Å; I242-G279 VanDerWaalsContact O-CA 3.25Å; I242-G279 WeakPolarHBondContact O-CA 3.22Å; I242-V280 HydrophobicContact CB-CG1 4.04Å; I242-V280 HydrophobicContact CD1-CG1 3.99Å; I242-V280 PolarHBondContact N-O 2.75Å; I242-V280 PolarHBondContact O-N 3.02Å; I242-L282 HydrophobicContact CD1-CD1 3.98Å; I242-L282 HydrophobicContact CD1-CG 3.96Å; I242-F362 HydrophobicContact CB-CZ 4.34Å; I242-F362 HydrophobicContact CG2-CZ 3.83Å; I242-I382 HydrophobicContact CD1-CD1 4.48Å
243D98Very high91.1Very high3 Ų364.7 Ų64.72%0.01633%0.333CS..EExtended strand (participates in β ladder)trans-131.9170.4-171.874.947.4000113.4V241 F245 R254 I255 C256 L257 G277V241-D243 HydrophobicContact CG1-CB 4.26Å; D243-F245 HydrophobicContact CB-CD2 4.07Å; D243-F245 WeakPolarHBondContact OD1-CA 3.28Å; D243-F245 VanDerWaalsContact OD1-CB 3.27Å; D243-F245 WeakPolarHBondContact OD1-CB 3.5Å; D243-F245 WeakPolarHBondContact OD1-CD2 3.27Å; D243-F245 PolarHBondContact OD1-N 3.03Å; D243-R254 IonicContact OD1-NH2 2.76Å; D243-R254 IonicContact OD2-CZ 2.71Å; D243-R254 VanDerWaalsContact OD2-CZ 3.25Å; D243-R254 IonicContact OD2-NE 3.71Å; D243-R254 PolarHBondContact OD2-NE 2.97Å; D243-R254 IonicContact OD2-NH2 3.84Å; D243-R254 PolarHBondContact OD2-NH2 3.11Å; D243-I255 PolarHBondContact N-O 2.92Å; D243-C256 PolarHBondContact OD1-SG 3.45Å; D243-L257 WeakPolarHBondContact O-CB 3.39Å; D243-L257 WeakPolarHBondContact O-CG 3.18Å; D243-L257 PolarHBondContact O-N 3.03Å; D243-G277 WeakPolarHBondContact CB-O 3.44Å
244G97.4Very high91.1Very high19 Ų1966 Ų6620%0.19634%0.337CS..SBendtrans-92.16.9-178.700000114.6G277G244-G277 PolarHBondContact N-O 2.89Å
245F96.6Very high91.1Very high95 Ų9560.6 Ų60.642%0.41731%0.314SS..SBendtrans-83.7-175.9-176.9-55.8-52.7000111.8D243 C256 G258 R278D243-F245 HydrophobicContact CB-CD2 4.07Å; D243-F245 WeakPolarHBondContact OD1-CA 3.28Å; D243-F245 VanDerWaalsContact OD1-CB 3.27Å; D243-F245 WeakPolarHBondContact OD1-CB 3.5Å; D243-F245 WeakPolarHBondContact OD1-CD2 3.27Å; D243-F245 PolarHBondContact OD1-N 3.03Å; F245-C256 WeakPolarHBondContact O-CB 3.25Å; F245-G258 WeakPolarHBondContact O-CA 3.45Å; F245-G258 PolarHBondContact O-N 3.03Å; F245-R278 HydrophobicContact CE2-CB 4.46Å; F245-R278 HydrophobicContact CE2-CG 4.05Å; F245-R278 HydrophobicContact CZ-CG 4.11Å
246T93.1Very high91.1Very high85 Ų8561.4 Ų61.452%0.52132%0.319SS..  trans-123.734.9-170.158.50000112.6P248 L259T246-P248 VanDerWaalsContact O-CD 3.29Å; T246-P248 WeakPolarHBondContact O-CD 3.33Å; T246-L259 HydrophobicContact CG2-CD2 4Å; T246-L259 HydrophobicContact CG2-CG 4.21Å
247D87.2Confident91.3Very high50 Ų5055.5 Ų55.527%0.26730%0.297SS..  trans-73.5117.2176.7-176.9-5.1000109.4S249 R254 C256D247-S249 PolarHBondContact O-N 2.9Å; D247-S249 WeakPolarHBondContact OD1-CB 3.36Å; D247-S249 PolarHBondContact OD1-N 3.29Å; D247-S249 PolarHBondContact OD1-OG 3.34Å; D247-S249 PolarHBondContact OD2-OG 2.9Å; D247-R254 IonicContact OD2-CZ 3.13Å; D247-R254 IonicContact OD2-NH1 2.73Å; D247-R254 PolarHBondContact OD2-NH1 3.31Å; D247-C256 VanDerWaalsContact CB-SG 3.59Å
248P79.4Confident91.4Very high110 Ų11054.8 Ų54.871%0.71430%0.296SS*.  trans-80.53.1-179.435.2-36.5000112.9T246 N250 L259T246-P248 VanDerWaalsContact O-CD 3.29Å; T246-P248 WeakPolarHBondContact O-CD 3.33Å; P248-N250 PolarHBondContact O-N 2.91Å; P248-L259 HydrophobicContact CB-CD1 3.97Å
249S79.1Confident91.5Very high48 Ų4854.1 Ų54.134%0.33630%0.296SS..  trans-63.4132.5178.965.60000111.5D247 R251D247-S249 PolarHBondContact O-N 2.9Å; D247-S249 WeakPolarHBondContact OD1-CB 3.36Å; D247-S249 PolarHBondContact OD1-N 3.29Å; D247-S249 PolarHBondContact OD1-OG 3.34Å; D247-S249 PolarHBondContact OD2-OG 2.9Å; S249-R251 PolarHBondContact O-N 2.86Å; S249-R251 VanDerWaalsContact O-N 3.08Å; S249-R251 VanDerWaalsContact OG-CD 3.27Å; S249-R251 WeakPolarHBondContact OG-CD 3.46Å; S249-R251 WeakPolarHBondContact OG-CG 3.31Å
250N76.3Confident91.6Very high155 Ų15554.6 Ų54.683%0.82930%0.298SS*.  trans-8762.9177.2-166.915.7000110.1P248P248-N250 PolarHBondContact O-N 2.91Å
251R84.3Confident91.5Very high128 Ų12859.7 Ų59.748%0.48333%0.333SS..  trans-90.8138.3-178.5-64.217158.3141.62.1110.8S249 D253 R254S249-R251 PolarHBondContact O-N 2.86Å; S249-R251 VanDerWaalsContact O-N 3.08Å; S249-R251 VanDerWaalsContact OG-CD 3.27Å; S249-R251 WeakPolarHBondContact OG-CD 3.46Å; S249-R251 WeakPolarHBondContact OG-CG 3.31Å; R251-D253 VanDerWaalsContact CB-OD1 3.25Å; R251-D253 WeakPolarHBondContact CB-OD1 3.32Å; R251-D253 IonicContact CZ-OD1 3.89Å; R251-D253 IonicContact CZ-OD2 3.76Å; R251-D253 IonicContact NE-OD1 3.8Å; R251-D253 PolarHBondContact NE-OD1 2.75Å; R251-D253 IonicContact NE-OD2 2.63Å; R251-D253 IonicContact NH2-OD1 2.86Å; R251-D253 PolarHBondContact NH2-OD1 2.73Å; R251-D253 IonicContact NH2-OD2 2.74Å; R251-D253 PolarHBondContact NH2-OD2 3.04Å; R251-D253 PolarHBondContact O-N 2.89Å; R251-R254 HydrophobicContact CB-CB 4.43Å; R251-R254 PolarHBondContact O-N 3.39Å
252D85.5Confident91.5Very high109 Ų10959.5 Ų59.558%0.58333%0.331SS*.THydrogen-bonded Turntrans-68.7-14177.8-69-19.5000114.1S237S237-D252 WeakPolarHBondContact CB-O 3.34Å
253D90.2Very high91.4Very high55 Ų5566.3 Ų66.329%0.29437%0.372SS..THydrogen-bonded Turntrans-105.22.8-176.871-21000113.7V240 V241 R251V240-D253 CarbonylContact C-O 3.59Å; V240-D253 WeakPolarHBondContact CA-O 3.3Å; V241-D253 PolarHBondContact N-O 2.94Å; R251-D253 VanDerWaalsContact CB-OD1 3.25Å; R251-D253 WeakPolarHBondContact CB-OD1 3.32Å; R251-D253 IonicContact CZ-OD1 3.89Å; R251-D253 IonicContact CZ-OD2 3.76Å; R251-D253 IonicContact NE-OD1 3.8Å; R251-D253 PolarHBondContact NE-OD1 2.75Å; R251-D253 IonicContact NE-OD2 2.63Å; R251-D253 IonicContact NH2-OD1 2.86Å; R251-D253 PolarHBondContact NH2-OD1 2.73Å; R251-D253 IonicContact NH2-OD2 2.74Å; R251-D253 PolarHBondContact NH2-OD2 3.04Å; R251-D253 PolarHBondContact O-N 2.89Å
254R94.9Very high91.3Very high67 Ų6771.6 Ų71.625%0.25340%0.401SS..EExtended strand (participates in β ladder)trans-149.9130.7-174.3-167.6178.9-177.6-161.3-0.5113.5V241 D243 D247 R251 C256V241-R254 CarbonylContact O-C 3.55Å; V241-R254 WeakPolarHBondContact O-CA 3.36Å; D243-R254 IonicContact OD1-NH2 2.76Å; D243-R254 IonicContact OD2-CZ 2.71Å; D243-R254 VanDerWaalsContact OD2-CZ 3.25Å; D243-R254 IonicContact OD2-NE 3.71Å; D243-R254 PolarHBondContact OD2-NE 2.97Å; D243-R254 IonicContact OD2-NH2 3.84Å; D243-R254 PolarHBondContact OD2-NH2 3.11Å; D247-R254 IonicContact OD2-CZ 3.13Å; D247-R254 IonicContact OD2-NH1 2.73Å; D247-R254 PolarHBondContact OD2-NH1 3.31Å; R251-R254 HydrophobicContact CB-CB 4.43Å; R251-R254 PolarHBondContact O-N 3.39Å; R254-C256 PolarHBondContact NE-SG 3.37Å
255I95.6Very high91.3Very high13 Ų1373.4 Ų73.47%0.06740%0.401CS..EExtended strand (participates in β ladder)trans-120112.8176-57.8168.8000108.5I220 F233 V240 V241 I242 D243 L257I220-I255 HydrophobicContact CB-CD1 4.49Å; I220-I255 HydrophobicContact CD1-CD1 4.11Å; F233-I255 HydrophobicContact CB-CD1 3.57Å; F233-I255 HydrophobicContact CB-CG1 4.33Å; F233-I255 HydrophobicContact CD1-CD1 4.27Å; F233-I255 HydrophobicContact CD1-CG1 4.17Å; F233-I255 HydrophobicContact CD1-CG2 4.17Å; F233-I255 HydrophobicContact CD2-CD1 4.13Å; F233-I255 HydrophobicContact CD2-CG2 3.98Å; F233-I255 HydrophobicContact CE1-CG2 4.02Å; F233-I255 HydrophobicContact CE2-CG2 3.83Å; F233-I255 HydrophobicContact CG-CD1 3.72Å; F233-I255 HydrophobicContact CG-CG1 4.13Å; F233-I255 HydrophobicContact CG-CG2 4.16Å; F233-I255 HydrophobicContact CZ-CG2 3.84Å; V240-I255 HydrophobicContact CG2-CD1 3.89Å; V240-I255 HydrophobicContact CG2-CG1 4Å; V241-I255 PolarHBondContact O-N 3.18Å; I242-I255 WeakPolarHBondContact CA-O 3.3Å; I242-I255 HydrophobicContact CG1-CB 4.13Å; I242-I255 HydrophobicContact CG1-CD1 4.01Å; I242-I255 HydrophobicContact CG2-CB 4.37Å; I242-I255 HydrophobicContact CG2-CG2 4.4Å; D243-I255 PolarHBondContact N-O 2.92Å; I255-L257 HydrophobicContact CG2-CD2 4.16Å
256C95.7Very high91.4Very high20 Ų2072 Ų7214%0.13540%0.399CS..EExtended strand (participates in β ladder)trans-98.3111.3178-73.50000110.8D243 F245 D247 R254 G258D243-C256 PolarHBondContact OD1-SG 3.45Å; F245-C256 WeakPolarHBondContact O-CB 3.25Å; D247-C256 VanDerWaalsContact CB-SG 3.59Å; R254-C256 PolarHBondContact NE-SG 3.37Å; C256-G258 VanDerWaalsContact C-N 3.29Å; C256-G258 PolarHBondContact O-N 2.97Å
257L96.6Very high91.6Very high2 Ų272.2 Ų72.21%0.0140%0.403CS..G310 helixtrans-75.7-20.1-176.2-59.7177.7000112.7Y222 I242 D243 I255 L259 L260 R273 I276 F362Y222-L257 HydrophobicContact CD1-CD2 4.01Å; Y222-L257 HydrophobicContact CD2-CD1 3.8Å; Y222-L257 HydrophobicContact CD2-CD2 3.86Å; Y222-L257 HydrophobicContact CD2-CG 4.43Å; Y222-L257 HydrophobicContact CE2-CD1 3.7Å; Y222-L257 HydrophobicContact CE2-CD2 4.39Å; Y222-L257 HydrophobicContact CG-CD1 4.43Å; Y222-L257 HydrophobicContact CG-CD2 3.65Å; I242-L257 HydrophobicContact CG2-CD1 3.87Å; I242-L257 HydrophobicContact CG2-CD2 4.1Å; I242-L257 HydrophobicContact CG2-CG 3.93Å; D243-L257 WeakPolarHBondContact O-CB 3.39Å; D243-L257 WeakPolarHBondContact O-CG 3.18Å; D243-L257 PolarHBondContact O-N 3.03Å; I255-L257 HydrophobicContact CG2-CD2 4.16Å; L257-L259 VanDerWaalsContact C-N 3.31Å; L257-L259 PolarHBondContact O-N 3.4Å; L257-L260 HydrophobicContact CD2-CD1 3.84Å; L257-L260 WeakPolarHBondContact O-CB 3.31Å; L257-L260 WeakPolarHBondContact O-CG 3.43Å; L257-L260 PolarHBondContact O-N 2.95Å; L257-L260 VanDerWaalsContact O-N 3.13Å; L257-R273 PolarHBondContact O-NH1 2.75Å; L257-R273 PolarHBondContact O-NH2 3.16Å; L257-I276 HydrophobicContact CD1-CD1 4.09Å; L257-F362 HydrophobicContact CD1-CD2 4.45Å; L257-F362 HydrophobicContact CD1-CE2 3.8Å; L257-F362 HydrophobicContact CD1-CZ 4.15Å
258G95.4Very high92.1Very high23 Ų2373.1 Ų73.124%0.23741%0.41CS..G310 helixtrans-60.3-33.2-167.900000114.8F245 C256 R273F245-G258 WeakPolarHBondContact O-CA 3.45Å; F245-G258 PolarHBondContact O-N 3.03Å; C256-G258 VanDerWaalsContact C-N 3.29Å; C256-G258 PolarHBondContact O-N 2.97Å; G258-R273 VanDerWaalsContact C-NH2 3.25Å; G258-R273 VanDerWaalsContact CA-NH2 3.26Å; G258-R273 PolarHBondContact O-NH2 3.03Å
259L92.2Very high93Very high103 Ų10368 Ų6854%0.53938%0.377SS..G310 helixtrans-85.3-10.2-179.7-67.8177.3000114.2T246 P248 L257 S261T246-L259 HydrophobicContact CG2-CD2 4Å; T246-L259 HydrophobicContact CG2-CG 4.21Å; P248-L259 HydrophobicContact CB-CD1 3.97Å; L257-L259 VanDerWaalsContact C-N 3.31Å; L257-L259 PolarHBondContact O-N 3.4Å; L259-S261 PolarHBondContact O-N 3.24Å
260L94.9Very high94Very high31 Ų3169.3 Ų69.316%0.16238%0.378CS..  trans-67121.8-179.1-60.2179.4000110.7Y222 I229 L257 R265Y222-L260 HydrophobicContact CD1-CD1 3.54Å; Y222-L260 HydrophobicContact CE1-CD1 4.2Å; Y222-L260 HydrophobicContact CG-CD1 4.29Å; I229-L260 HydrophobicContact CG2-CB 3.91Å; L257-L260 HydrophobicContact CD2-CD1 3.84Å; L257-L260 WeakPolarHBondContact O-CB 3.31Å; L257-L260 WeakPolarHBondContact O-CG 3.43Å; L257-L260 PolarHBondContact O-N 2.95Å; L257-L260 VanDerWaalsContact O-N 3.13Å; L260-R265 VanDerWaalsContact O-CZ 3.3Å; L260-R265 PolarHBondContact O-NH1 3.34Å; L260-R265 PolarHBondContact O-NH2 2.75Å
261S95Very high95Very high107 Ų10765.5 Ų65.575%0.74836%0.358SS*.  trans-81.5145.717858.20000111.5I229 L259I229-S261 WeakPolarHBondContact CG2-O 3.39Å; L259-S261 PolarHBondContact O-N 3.24Å
262N96.6Very high95.7Very high27 Ų2759.5 Ų59.514%0.14434%0.335CS..  trans-152.8115.8171.8176.711.1000108.4E224 I229 N264 R265E224-N262 WeakPolarHBondContact OE2-CB 3.34Å; E224-N262 PolarHBondContact OE2-ND2 3.19Å; I229-N262 HydrophobicContact CD1-CB 3.83Å; I229-N262 VanDerWaalsContact CD1-CG 3.47Å; I229-N262 WeakPolarHBondContact CD1-ND2 3.29Å; I229-N262 HydrophobicContact CG1-CB 4.41Å; I229-N262 HydrophobicContact CG2-CB 4.38Å; N262-N264 PolarHBondContact O-N 3.31Å; N262-N264 PolarHBondContact OD1-N 2.72Å; N262-R265 HydrophobicContact CB-CB 4.16Å; N262-R265 WeakPolarHBondContact O-CB 3.45Å; N262-R265 PolarHBondContact O-N 3Å
263V95.8Very high96.3Very high142 Ų14255.5 Ų55.586%0.86131%0.312SS*.THydrogen-bonded Turntrans-67.4-25.1-179-63.30000113R265V263-R265 VanDerWaalsContact C-N 3.29Å
264N95.7Very high96.7Very high115 Ų11560.6 Ų60.662%0.61533%0.327SS*.THydrogen-bonded Turntrans-91.19.6179.4-63.8-34.9000112.5N262 N266N262-N264 PolarHBondContact O-N 3.31Å; N262-N264 PolarHBondContact OD1-N 2.72Å; N264-N266 PolarHBondContact O-N 2.95Å
265R97.7Very high96.8Very high56 Ų5661.2 Ų61.221%0.21133%0.333CS..  trans-67.3119.8-179.3-175.7170.5-66145.31.8110.2E224 L260 N262 V263 I269 E270 R273E224-R265 VanDerWaalsContact CD-NH2 3.3Å; E224-R265 IonicContact OE1-CZ 2.9Å; E224-R265 IonicContact OE1-NE 3.07Å; E224-R265 PolarHBondContact OE1-NE 2.81Å; E224-R265 IonicContact OE1-NH2 2.78Å; E224-R265 PolarHBondContact OE1-NH2 2.71Å; E224-R265 IonicContact OE2-CZ 2.82Å; E224-R265 IonicContact OE2-NE 3.78Å; E224-R265 PolarHBondContact OE2-NE 3.09Å; E224-R265 IonicContact OE2-NH2 3.17Å; E224-R265 PolarHBondContact OE2-NH2 2.8Å; E224-R265 VanDerWaalsContact OE2-NH2 3.13Å; L260-R265 VanDerWaalsContact O-CZ 3.3Å; L260-R265 PolarHBondContact O-NH1 3.34Å; L260-R265 PolarHBondContact O-NH2 2.75Å; N262-R265 HydrophobicContact CB-CB 4.16Å; N262-R265 WeakPolarHBondContact O-CB 3.45Å; N262-R265 PolarHBondContact O-N 3Å; V263-R265 VanDerWaalsContact C-N 3.29Å; R265-I269 HydrophobicContact CG-CB 4.03Å; R265-I269 HydrophobicContact CG-CG2 3.8Å; R265-E270 HydrophobicContact CG-CG 3.76Å; R265-R273 VanDerWaalsContact CZ-CZ 3.48Å; R265-R273 VanDerWaalsContact NH2-CZ 3.34Å
266N97.9Very high97Very high67 Ų6760.7 Ų60.736%0.35833%0.33SS..  trans-103.1171.7176.765.350.3000111.9N264 T268 I269 E270N264-N266 PolarHBondContact O-N 2.95Å; N266-T268 PolarHBondContact O-N 3.17Å; N266-T268 VanDerWaalsContact O-N 3.15Å; N266-T268 WeakPolarHBondContact OD1-CB 3.31Å; N266-T268 PolarHBondContact OD1-N 2.85Å; N266-I269 PolarHBondContact O-N 2.79Å; N266-I269 PolarHBondContact OD1-N 2.98Å; N266-I269 VanDerWaalsContact OD1-N 3.11Å; N266-E270 WeakPolarHBondContact O-CG 3.26Å; N266-E270 PolarHBondContact O-N 3.36Å
267S98.2Very high97.1Very high89 Ų8960.8 Ų60.862%0.62234%0.335SS*.Hα-helixtrans-56.9-30.8-177.859.60000114.2N271S267-N271 WeakPolarHBondContact O-CB 3.4Å; S267-N271 PolarHBondContact O-N 3.38Å
268T98Very high97.1Very high68 Ų6866 Ų6642%0.41735%0.354SS..Hα-helixtrans-70.6-42177.6-610000111.3N266 T272 P379N266-T268 PolarHBondContact O-N 3.17Å; N266-T268 VanDerWaalsContact O-N 3.15Å; N266-T268 WeakPolarHBondContact OD1-CB 3.31Å; N266-T268 PolarHBondContact OD1-N 2.85Å; T268-T272 WeakPolarHBondContact O-CB 3.16Å; T268-T272 PolarHBondContact O-N 2.96Å; T268-T272 PolarHBondContact O-OG1 3.43Å; T268-P379 HydrophobicContact CG2-CB 4.41Å; T268-P379 HydrophobicContact CG2-CG 3.86Å
269I98.6Very high97.3Very high2 Ų265 Ų651%0.0134%0.343CS..Hα-helixtrans-65.2-49.1174.8-63163.1000109.6E224 L225 R265 N266 N271 T272 R273 P379E224-I269 HydrophobicContact CB-CD1 4.15Å; E224-I269 HydrophobicContact CB-CG2 4.12Å; E224-I269 VanDerWaalsContact CD-CG2 3.41Å; E224-I269 HydrophobicContact CG-CG2 3.8Å; E224-I269 WeakPolarHBondContact OE2-CG2 3.42Å; L225-I269 HydrophobicContact CD1-CD1 3.87Å; L225-I269 HydrophobicContact CD1-CG1 4.44Å; L225-I269 HydrophobicContact CG-CD1 4.08Å; L225-I269 HydrophobicContact CG-CG1 4.36Å; R265-I269 HydrophobicContact CG-CB 4.03Å; R265-I269 HydrophobicContact CG-CG2 3.8Å; N266-I269 PolarHBondContact O-N 2.79Å; N266-I269 PolarHBondContact OD1-N 2.98Å; N266-I269 VanDerWaalsContact OD1-N 3.11Å; I269-N271 VanDerWaalsContact C-N 3.32Å; I269-N271 PolarHBondContact O-N 2.88Å; I269-T272 WeakPolarHBondContact O-CB 3.47Å; I269-T272 PolarHBondContact O-N 3.49Å; I269-T272 VanDerWaalsContact O-N 3.1Å; I269-R273 HydrophobicContact CG2-CG 4.29Å; I269-R273 WeakPolarHBondContact O-CG 3.37Å; I269-R273 PolarHBondContact O-N 3.39Å; I269-P379 HydrophobicContact CB-CB 4.46Å; I269-P379 HydrophobicContact CG1-CB 4.02Å
270E98.3Very high97.6Very high77 Ų7760 Ų6036%0.3632%0.317SS..Hα-helixtrans-57.3-45.8177.8-66.1-173.7165.900112.5R265 N266 T272 R273 R274R265-E270 HydrophobicContact CG-CG 3.76Å; N266-E270 WeakPolarHBondContact O-CG 3.26Å; N266-E270 PolarHBondContact O-N 3.36Å; E270-T272 VanDerWaalsContact C-N 3.28Å; E270-T272 PolarHBondContact O-N 3.15Å; E270-R273 PolarHBondContact O-N 2.9Å; E270-R274 WeakPolarHBondContact O-CG 3.03Å; E270-R274 PolarHBondContact O-N 3.45Å; E270-R274 IonicContact OE2-CZ 3.49Å; E270-R274 IonicContact OE2-NH1 3.47Å; E270-R274 IonicContact OE2-NH2 3.38Å; E270-R274 PolarHBondContact OE2-NH2 2.67Å
271N98.3Very high97.7Very high75 Ų7560.4 Ų60.440%0.40132%0.318SS..Hα-helixtrans-60.8-41.3177.7-173.944.1000111.2S267 I269 R274 H275S267-N271 WeakPolarHBondContact O-CB 3.4Å; S267-N271 PolarHBondContact O-N 3.38Å; I269-N271 VanDerWaalsContact C-N 3.32Å; I269-N271 PolarHBondContact O-N 2.88Å; N271-R274 PolarHBondContact O-N 3.05Å; N271-H275 PolarHBondContact O-ND1 2.86Å; N271-H275 PolarHBondContact OD1-CE1 2.99Å
272T98.6Very high97.9Very high1 Ų155.4 Ų55.41%0.00628%0.283CS..Hα-helixtrans-64.1-46176.4-56.90000111.3T268 I269 E270 R274 H275 I276 V363 K364 P379 C380T268-T272 WeakPolarHBondContact O-CB 3.16Å; T268-T272 PolarHBondContact O-N 2.96Å; T268-T272 PolarHBondContact O-OG1 3.43Å; I269-T272 WeakPolarHBondContact O-CB 3.47Å; I269-T272 PolarHBondContact O-N 3.49Å; I269-T272 VanDerWaalsContact O-N 3.1Å; E270-T272 VanDerWaalsContact C-N 3.28Å; E270-T272 PolarHBondContact O-N 3.15Å; T272-R274 VanDerWaalsContact C-N 3.32Å; T272-R274 PolarHBondContact O-N 3.26Å; T272-H275 PolarHBondContact O-N 3.34Å; T272-I276 PolarHBondContact O-N 3.04Å; T272-V363 HydrophobicContact CG2-CB 4.03Å; T272-V363 HydrophobicContact CG2-CG2 4.28Å; T272-K364 HydrophobicContact CG2-CG 4.36Å; T272-P379 HydrophobicContact CG2-CB 4.06Å; T272-P379 HydrophobicContact CG2-CG 4.39Å; T272-P379 WeakPolarHBondContact OG1-CB 3.41Å; T272-P379 WeakPolarHBondContact OG1-CG 3.42Å; T272-C380 HydrophobicContact CG2-CB 3.98Å
273R98.4Very high97.8Very high25 Ų2554.2 Ų54.29%0.09428%0.277CS..Hα-helixtrans-55.8-43.4177.3-70.9171.66582.32.5112.5Y222 E224 L257 G258 R265 I269 E270 H275 I276 C380Y222-R273 PolarHBondContact OH-NH1 3.28Å; E224-R273 WeakPolarHBondContact OE1-CD 3.11Å; E224-R273 IonicContact OE1-CZ 2.82Å; E224-R273 IonicContact OE1-NE 3.26Å; E224-R273 IonicContact OE1-NH1 3.46Å; E224-R273 PolarHBondContact OE1-NH1 2.79Å; L257-R273 PolarHBondContact O-NH1 2.75Å; L257-R273 PolarHBondContact O-NH2 3.16Å; G258-R273 VanDerWaalsContact C-NH2 3.25Å; G258-R273 VanDerWaalsContact CA-NH2 3.26Å; G258-R273 PolarHBondContact O-NH2 3.03Å; R265-R273 VanDerWaalsContact CZ-CZ 3.48Å; R265-R273 VanDerWaalsContact NH2-CZ 3.34Å; I269-R273 HydrophobicContact CG2-CG 4.29Å; I269-R273 WeakPolarHBondContact O-CG 3.37Å; I269-R273 PolarHBondContact O-N 3.39Å; E270-R273 PolarHBondContact O-N 2.9Å; R273-H275 PolarHBondContact O-N 3.2Å; R273-H275 VanDerWaalsContact O-N 3.16Å; R273-I276 PolarHBondContact O-N 3.1Å; R273-I276 VanDerWaalsContact O-N 3.17Å; R273-C380 VanDerWaalsContact CG-SG 3.54Å
274R98Very high97.8Very high162 Ų16248.3 Ų48.361%0.61124%0.239SC*.Hα-helixtrans-58.6-26.9176.6-69.1176.5-164.7106.36.5112.9E270 N271 T272E270-R274 WeakPolarHBondContact O-CG 3.03Å; E270-R274 PolarHBondContact O-N 3.45Å; E270-R274 IonicContact OE2-CZ 3.49Å; E270-R274 IonicContact OE2-NH1 3.47Å; E270-R274 IonicContact OE2-NH2 3.38Å; E270-R274 PolarHBondContact OE2-NH2 2.67Å; N271-R274 PolarHBondContact O-N 3.05Å; T272-R274 VanDerWaalsContact C-N 3.32Å; T272-R274 PolarHBondContact O-N 3.26Å
275H98.6Very high97.5Very high81 Ų8143.3 Ų43.338%0.37521%0.213SC..Hα-helixtrans-97.8-3.6-177.4-70.390.7000114.1N271 T272 R273 G277 S295 N297 V363N271-H275 PolarHBondContact O-ND1 2.86Å; N271-H275 PolarHBondContact OD1-CE1 2.99Å; T272-H275 PolarHBondContact O-N 3.34Å; R273-H275 PolarHBondContact O-N 3.2Å; R273-H275 VanDerWaalsContact O-N 3.16Å; H275-G277 VanDerWaalsContact C-N 3.31Å; H275-S295 PolarHBondContact O-OG 3.33Å; H275-N297 PolarHBondContact O-ND2 2.85Å; H275-V363 HydrophobicContact CB-CG1 3.98Å; H275-V363 HydrophobicContact CB-CG2 3.81Å
276I98.7Very high96.9Very high1 Ų144.5 Ų44.51%0.00522%0.217CC..Hα-helixtrans-61.8-43.8174.1-61.7179.9000109.6L257 T272 R273 R278 G279 S295 F362 V363 C380L257-I276 HydrophobicContact CD1-CD1 4.09Å; T272-I276 PolarHBondContact O-N 3.04Å; R273-I276 PolarHBondContact O-N 3.1Å; R273-I276 VanDerWaalsContact O-N 3.17Å; I276-R278 PolarHBondContact O-N 3.49Å; I276-G279 WeakPolarHBondContact O-CA 3.36Å; I276-G279 PolarHBondContact O-N 2.78Å; I276-S295 WeakPolarHBondContact O-CB 3.41Å; I276-S295 PolarHBondContact O-OG 2.93Å; I276-F362 HydrophobicContact CD1-CB 4.16Å; I276-F362 HydrophobicContact CD1-CD2 4.15Å; I276-F362 HydrophobicContact CD1-CG 4.13Å; I276-F362 HydrophobicContact CG1-CB 3.79Å; I276-F362 HydrophobicContact CG1-CG 4.1Å; I276-F362 HydrophobicContact CG2-CD1 3.82Å; I276-F362 HydrophobicContact CG2-CE1 4.15Å; I276-F362 HydrophobicContact CG2-CG 4.19Å; I276-V363 HydrophobicContact CG1-CG2 4.44Å; I276-C380 HydrophobicContact CD1-CB 4.14Å
277G97.8Very high96.5Very high23 Ų2341.7 Ų41.724%0.23720%0.204CC..THydrogen-bonded Turntrans56.2-129.1179.600000111.3D243 G244 H275 G279D243-G277 WeakPolarHBondContact CB-O 3.44Å; G244-G277 PolarHBondContact N-O 2.89Å; H275-G277 VanDerWaalsContact C-N 3.31Å; G277-G279 PolarHBondContact O-N 2.59Å
278R97.3Very high96.4Very high112 Ų11238.5 Ų38.542%0.42318%0.179SC..THydrogen-bonded Turntrans-69.2-7.3176.4-54.5-171.6-55.6-122.8-5.8114.8F245 I276 V280 L294F245-R278 HydrophobicContact CE2-CB 4.46Å; F245-R278 HydrophobicContact CE2-CG 4.05Å; F245-R278 HydrophobicContact CZ-CG 4.11Å; I276-R278 PolarHBondContact O-N 3.49Å; R278-V280 PolarHBondContact O-N 2.86Å; R278-L294 HydrophobicContact CB-CB 3.82Å; R278-L294 PolarHBondContact NE-O 2.62Å; R278-L294 PolarHBondContact NH2-O 3.18Å
279G98.3Very high96.4Very high0 Ų035.4 Ų35.40%016%0.16CC..  trans60.6-127.7172.400000115.4I242 I276 G277 L294 S295I242-G279 CarbonylContact O-C 3.52Å; I242-G279 VanDerWaalsContact O-CA 3.25Å; I242-G279 WeakPolarHBondContact O-CA 3.22Å; I276-G279 WeakPolarHBondContact O-CA 3.36Å; I276-G279 PolarHBondContact O-N 2.78Å; G277-G279 PolarHBondContact O-N 2.59Å; G279-L294 CarbonylContact O-C 3.53Å; G279-L294 WeakPolarHBondContact O-CA 3.25Å; G279-L294 PolarHBondContact O-N 3.05Å; G279-S295 PolarHBondContact O-N 3.06Å
280V98.6Very high96.3Very high0 Ų035.8 Ų35.80%016%0.161CC..EExtended strand (participates in β ladder)trans-128.4143.6-174.363.60000110.8V241 I242 R278 L282 A291 E292 I299 L360 F362V241-V280 CarbonylContact C-O 3.45Å; V241-V280 WeakPolarHBondContact CA-O 3.12Å; I242-V280 HydrophobicContact CB-CG1 4.04Å; I242-V280 HydrophobicContact CD1-CG1 3.99Å; I242-V280 PolarHBondContact N-O 2.75Å; I242-V280 PolarHBondContact O-N 3.02Å; R278-V280 PolarHBondContact O-N 2.86Å; V280-L282 HydrophobicContact CG2-CD2 3.97Å; V280-A291 HydrophobicContact CG2-CB 4.2Å; V280-E292 WeakPolarHBondContact CA-O 3.29Å; V280-E292 WeakPolarHBondContact CG2-O 3.35Å; V280-I299 HydrophobicContact CB-CD1 3.95Å; V280-I299 HydrophobicContact CG2-CD1 3.48Å; V280-I299 VanDerWaalsContact CG2-CD1 3.48Å; V280-L360 HydrophobicContact CB-CD1 4.37Å; V280-L360 HydrophobicContact CG1-CD1 4.12Å; V280-L360 HydrophobicContact CG1-CD2 4.35Å; V280-L360 HydrophobicContact CG2-CD1 3.96Å; V280-F362 HydrophobicContact CB-CE1 4.29Å; V280-F362 HydrophobicContact CG1-CE1 3.75Å; V280-F362 HydrophobicContact CG1-CZ 4.05Å
281Q97.8Very high96.3Very high38 Ų3832.1 Ų32.118%0.17814%0.144CC..EExtended strand (participates in β ladder)trans-103.1126.3163.6-175.9-179.8-69.400109.4T239 V240 V241 S283 A291 E292 L294T239-Q281 VanDerWaalsContact CG2-CD 3.41Å; T239-Q281 HydrophobicContact CG2-CG 3.39Å; V240-Q281 WeakPolarHBondContact O-CA 3.42Å; V241-Q281 HydrophobicContact CG2-CB 4.22Å; V241-Q281 HydrophobicContact CG2-CG 4.09Å; Q281-S283 PolarHBondContact NE2-OG 2.9Å; Q281-A291 WeakPolarHBondContact O-CA 3.5Å; Q281-E292 HydrophobicContact CB-CB 4.4Å; Q281-E292 PolarHBondContact N-O 2.85Å; Q281-E292 PolarHBondContact O-N 2.93Å; Q281-L294 HydrophobicContact CB-CD1 3.82Å; Q281-L294 HydrophobicContact CB-CG 4.06Å
282L98.2Very high96.3Very high2 Ų230.9 Ų30.91%0.0114%0.136CC..EExtended strand (participates in β ladder)trans-100.2128.2167.6-56.3-177.8000108.8W217 I220 T239 V240 I242 V280 Y290 A291 I328 V384W217-L282 HydrophobicContact CH2-CB 4.03Å; W217-L282 HydrophobicContact CH2-CD1 4.41Å; I220-L282 HydrophobicContact CD1-CD1 3.92Å; T239-L282 VanDerWaalsContact CA-O 3.29Å; T239-L282 WeakPolarHBondContact CA-O 3.42Å; V240-L282 HydrophobicContact CG1-CB 3.92Å; V240-L282 PolarHBondContact N-O 3.36Å; V240-L282 PolarHBondContact O-N 2.81Å; I242-L282 HydrophobicContact CD1-CD1 3.98Å; I242-L282 HydrophobicContact CD1-CG 3.96Å; V280-L282 HydrophobicContact CG2-CD2 3.97Å; L282-Y290 CarbonylContact C-O 3.55Å; L282-Y290 VanDerWaalsContact CA-O 3.32Å; L282-Y290 WeakPolarHBondContact CA-O 3.37Å; L282-A291 HydrophobicContact CD2-CB 3.84Å; L282-I328 HydrophobicContact CD2-CD1 4.13Å; L282-V384 HydrophobicContact CD1-CG2 4Å
283S95.7Very high96.2Very high3 Ų330.9 Ų30.92%0.02114%0.136CC..EExtended strand (participates in β ladder)trans-121.7119.5177.2-65.60000109.8H238 T239 Q281 V289 Y290H238-S283 CarbonylContact O-C 3.45Å; H238-S283 WeakPolarHBondContact O-CA 3.3Å; T239-S283 PolarHBondContact OG1-OG 3.01Å; T239-S283 VanDerWaalsContact OG1-OG 3.06Å; Q281-S283 PolarHBondContact NE2-OG 2.9Å; S283-V289 WeakPolarHBondContact O-CA 3.48Å; S283-Y290 PolarHBondContact N-O 2.91Å; S283-Y290 PolarHBondContact O-N 3.26Å
284Y94.7Very high96.1Very high17 Ų1731.3 Ų31.37%0.06714%0.14CC..EExtended strand (participates in β ladder)trans-93.5116171.1-179.4-117.8000109.9Y211 E213 W217 H238 E288 V289Y211-Y284 PolarHBondContact OH-OH 3.45Å; E213-Y284 WeakPolarHBondContact OE1-CE1 3.28Å; E213-Y284 PolarHBondContact OE1-OH 2.8Å; E213-Y284 PolarHBondContact OE2-OH 3.44Å; W217-Y284 HydrophobicContact CB-CD1 3.76Å; W217-Y284 HydrophobicContact CB-CE1 3.99Å; W217-Y284 HydrophobicContact CB-CG 4.12Å; W217-Y284 HydrophobicContact CD2-CD1 4.35Å; W217-Y284 AromaticContact CD2-CG 3.93Å; W217-Y284 HydrophobicContact CD2-CG 3.93Å; W217-Y284 HydrophobicContact CE3-CD2 4.26Å; W217-Y284 HydrophobicContact CE3-CG 4.1Å; W217-Y284 AromaticContact CG-CD1 3.85Å; W217-Y284 HydrophobicContact CG-CD1 3.85Å; W217-Y284 AromaticContact CG-CG 3.92Å; W217-Y284 HydrophobicContact CG-CG 3.92Å; H238-Y284 PolarHBondContact CD2-O 2.94Å; H238-Y284 PolarHBondContact O-N 3.05Å; Y284-E288 CarbonylContact C-O 3.59Å; Y284-E288 WeakPolarHBondContact CA-O 3.14Å; Y284-E288 WeakPolarHBondContact CD2-O 3.23Å; Y284-V289 HydrophobicContact CD2-CG2 3.91Å
285I90.1Very high96.1Very high11 Ų1123.7 Ų23.76%0.05611%0.112CC..EExtended strand (participates in β ladder)trans-134.5102.8-172.9-59.9164.4000107.4H82 E83 G287 E288 Y290H82-I285 HydrophobicContact CB-CD1 3.7Å; E83-I285 HydrophobicContact CG-CD1 4.04Å; E83-I285 HydrophobicContact CG-CG1 4.18Å; E83-I285 HydrophobicContact CG-CG2 3.54Å; I285-G287 VanDerWaalsContact C-N 3.33Å; I285-G287 PolarHBondContact O-N 3.4Å; I285-E288 PolarHBondContact N-O 3.24Å; I285-E288 WeakPolarHBondContact O-CB 3.22Å; I285-E288 PolarHBondContact O-N 2.91Å; I285-Y290 HydrophobicContact CD1-CD2 4.05Å; I285-Y290 HydrophobicContact CD1-CE2 4.32Å
286R84.2Confident96.1Very high81 Ų8125.9 Ų25.931%0.30613%0.126SC..THydrogen-bonded Turntrans5445.1167.8-56.6176.7-178.3-126.54.8113.6V111 E112 S113 E288V111-R286 WeakPolarHBondContact O-CD 3.41Å; V111-R286 PolarHBondContact O-NE 3.04Å; V111-R286 PolarHBondContact O-NH1 3.38Å; V111-R286 PolarHBondContact O-NH2 3.3Å; E112-R286 VanDerWaalsContact CA-NH1 3.34Å; S113-R286 VanDerWaalsContact N-NH1 3.16Å; R286-E288 VanDerWaalsContact C-N 3.34Å
287G90.7Very high96.1Very high8 Ų828.5 Ų28.58%0.08214%0.14CC..THydrogen-bonded Turntrans86.8-3-177.800000114.8I285 N331I285-G287 VanDerWaalsContact C-N 3.33Å; I285-G287 PolarHBondContact O-N 3.4Å; G287-N331 WeakPolarHBondContact O-CB 3.27Å; G287-N331 PolarHBondContact O-N 2.77Å
288E95.1Very high96.1Very high22 Ų2228.1 Ų28.110%0.10314%0.135CC..EExtended strand (participates in β ladder)trans-106.6143.6175.2-56.7-173.714600110.7Y284 I285 R286 Y290 K327 F329Y284-E288 CarbonylContact C-O 3.59Å; Y284-E288 WeakPolarHBondContact CA-O 3.14Å; Y284-E288 WeakPolarHBondContact CD2-O 3.23Å; I285-E288 PolarHBondContact N-O 3.24Å; I285-E288 WeakPolarHBondContact O-CB 3.22Å; I285-E288 PolarHBondContact O-N 2.91Å; R286-E288 VanDerWaalsContact C-N 3.34Å; E288-Y290 HydrophobicContact CB-CD2 4.34Å; E288-Y290 HydrophobicContact CB-CE2 3.66Å; E288-Y290 WeakPolarHBondContact OE2-CE2 3.4Å; E288-Y290 PolarHBondContact OE2-OH 2.85Å; E288-K327 VanDerWaalsContact CD-NZ 3.25Å; E288-K327 WeakPolarHBondContact OE1-CE 3.46Å; E288-K327 IonicContact OE1-NZ 3.81Å; E288-K327 PolarHBondContact OE1-NZ 2.97Å; E288-K327 WeakPolarHBondContact OE2-CE 3.01Å; E288-K327 IonicContact OE2-NZ 3.46Å; E288-K327 PolarHBondContact OE2-NZ 2.81Å; E288-F329 CarbonylContact C-O 3.46Å; E288-F329 VanDerWaalsContact CA-O 3.3Å; E288-F329 WeakPolarHBondContact CA-O 3.28Å
289V97.5Very high96.2Very high2 Ų222.9 Ų22.91%0.01212%0.115CC..EExtended strand (participates in β ladder)trans-115.6128.8173.9-173.10000108.9W217 S283 Y284 K327 I328 F329 L386W217-V289 HydrophobicContact CH2-CG1 4.42Å; W217-V289 HydrophobicContact CZ3-CG1 4.14Å; W217-V289 HydrophobicContact CZ3-CG2 4.15Å; S283-V289 WeakPolarHBondContact O-CA 3.48Å; Y284-V289 HydrophobicContact CD2-CG2 3.91Å; V289-K327 CarbonylContact O-C 3.59Å; V289-I328 HydrophobicContact CB-CG1 4.09Å; V289-I328 HydrophobicContact CG1-CD1 3.85Å; V289-I328 HydrophobicContact CG1-CG1 3.85Å; V289-I328 VanDerWaalsContact O-CG1 3.3Å; V289-I328 WeakPolarHBondContact O-CG1 3.42Å; V289-I328 PolarHBondContact O-N 3.48Å; V289-F329 HydrophobicContact CB-CB 3.86Å; V289-F329 HydrophobicContact CG2-CB 3.92Å; V289-F329 HydrophobicContact CG2-CD1 4.38Å; V289-F329 PolarHBondContact N-O 2.97Å; V289-F329 PolarHBondContact O-N 3.21Å; V289-L386 HydrophobicContact CG2-CD1 4.46Å; V289-L386 HydrophobicContact CG2-CD2 4.02Å
290Y97.6Very high96.2Very high11 Ų1123.4 Ų23.44%0.04312%0.118CC..EExtended strand (participates in β ladder)trans-114.6136.9175.4-65.5-96.2000110.2H82 L282 S283 I285 E288 L326 K327H82-Y290 HydrophobicContact CB-CD1 4.33Å; H82-Y290 HydrophobicContact CB-CD2 4.1Å; H82-Y290 HydrophobicContact CB-CE1 4.02Å; H82-Y290 HydrophobicContact CB-CE2 3.8Å; H82-Y290 HydrophobicContact CB-CG 4.34Å; H82-Y290 AromaticContact CD2-CD1 3.36Å; H82-Y290 WeakPolarHBondContact CD2-CD1 3.42Å; H82-Y290 AromaticContact CD2-CD2 3.97Å; H82-Y290 AromaticContact CD2-CE1 3.84Å; H82-Y290 AromaticContact CD2-CG 3.41Å; H82-Y290 VanDerWaalsContact CD2-CG 3.41Å; H82-Y290 AromaticContact CE1-CD1 3.46Å; H82-Y290 VanDerWaalsContact CE1-CD1 3.46Å; H82-Y290 WeakPolarHBondContact CE1-CD1 3.46Å; H82-Y290 AromaticContact CE1-CE1 3.61Å; H82-Y290 AromaticContact CG-CD1 3.53Å; H82-Y290 AromaticContact CG-CE1 3.48Å; H82-Y290 VanDerWaalsContact CG-CE1 3.48Å; H82-Y290 AromaticContact CG-CG 3.81Å; H82-Y290 AromaticContact CG-CZ 3.76Å; H82-Y290 AromaticContact ND1-CD1 3.61Å; H82-Y290 AromaticContact ND1-CE1 3.34Å; H82-Y290 VanDerWaalsContact ND1-CE1 3.34Å; H82-Y290 WeakPolarHBondContact ND1-CE1 3.24Å; H82-Y290 AromaticContact ND1-CZ 3.94Å; H82-Y290 AromaticContact NE2-CD1 3.31Å; H82-Y290 VanDerWaalsContact NE2-CD1 3.31Å; H82-Y290 WeakPolarHBondContact NE2-CD1 3.23Å; H82-Y290 AromaticContact NE2-CE1 3.9Å; H82-Y290 AromaticContact NE2-CG 3.75Å; L282-Y290 CarbonylContact C-O 3.55Å; L282-Y290 VanDerWaalsContact CA-O 3.32Å; L282-Y290 WeakPolarHBondContact CA-O 3.37Å; S283-Y290 PolarHBondContact N-O 2.91Å; S283-Y290 PolarHBondContact O-N 3.26Å; I285-Y290 HydrophobicContact CD1-CD2 4.05Å; I285-Y290 HydrophobicContact CD1-CE2 4.32Å; E288-Y290 HydrophobicContact CB-CD2 4.34Å; E288-Y290 HydrophobicContact CB-CE2 3.66Å; E288-Y290 WeakPolarHBondContact OE2-CE2 3.4Å; E288-Y290 PolarHBondContact OE2-OH 2.85Å; Y290-L326 CarbonylContact C-O 3.56Å; Y290-L326 WeakPolarHBondContact CA-O 3.45Å; Y290-K327 HydrophobicContact CD1-CB 3.86Å; Y290-K327 HydrophobicContact CD1-CG 4.39Å; Y290-K327 HydrophobicContact CE1-CB 3.61Å; Y290-K327 HydrophobicContact CE1-CG 4.04Å; Y290-K327 WeakPolarHBondContact OH-CE 3.44Å
291A98.4Very high96.2Very high0 Ų023.5 Ų23.50%012%0.118CC..EExtended strand (participates in β ladder)trans-105.6123.4167.200000109.2V280 Q281 L282 I320 S325 L326 I328V280-A291 HydrophobicContact CG2-CB 4.2Å; Q281-A291 WeakPolarHBondContact O-CA 3.5Å; L282-A291 HydrophobicContact CD2-CB 3.84Å; A291-I320 HydrophobicContact CB-CD1 3.96Å; A291-S325 CarbonylContact O-C 3.05Å; A291-S325 VanDerWaalsContact O-CA 3.25Å; A291-S325 WeakPolarHBondContact O-CA 3.33Å; A291-S325 PolarHBondContact O-OG 2.67Å; A291-L326 PolarHBondContact N-O 3.12Å; A291-L326 PolarHBondContact O-N 2.79Å; A291-I328 HydrophobicContact CB-CD1 3.68Å; A291-I328 HydrophobicContact CB-CG1 4.25Å; A291-I328 HydrophobicContact CB-CG2 4.03Å
292E97Very high96.2Very high49 Ų4923 Ų2323%0.22912%0.115CC..EExtended strand (participates in β ladder)trans-113.4123.9173.6-175.1174.9173.200110.3V280 Q281 L294 C324V280-E292 WeakPolarHBondContact CA-O 3.29Å; V280-E292 WeakPolarHBondContact CG2-O 3.35Å; Q281-E292 HydrophobicContact CB-CB 4.4Å; Q281-E292 PolarHBondContact N-O 2.85Å; Q281-E292 PolarHBondContact O-N 2.93Å; E292-L294 HydrophobicContact CG-CD2 4.08Å; E292-L294 PolarHBondContact O-N 3.49Å; E292-L294 VanDerWaalsContact O-N 3.12Å; E292-C324 WeakPolarHBondContact CA-O 3.29Å
293C97.9Very high96.2Very high0 Ų022.9 Ų22.90%012%0.115CC..EExtended strand (participates in β ladder)trans-7898.6179-173.80000110N297 I299 I320 P321 G323 C324C293-N297 PolarHBondContact SG-O 3.44Å; C293-I299 HydrophobicContact CB-CD1 3.87Å; C293-I299 HydrophobicContact CB-CG1 3.98Å; C293-I320 HydrophobicContact CB-CG2 3.91Å; C293-P321 VanDerWaalsContact CB-O 3.24Å; C293-P321 WeakPolarHBondContact CB-O 3.5Å; C293-G323 PolarHBondContact O-N 2.7Å; C293-C324 PolarHBondContact N-O 2.74Å
294L96.6Very high96.4Very high35 Ų3526.1 Ų26.118%0.18313%0.127CC..  trans-82.5-20.6174.1-60.2-172.4000112.3V241 R278 G279 Q281 E292V241-L294 HydrophobicContact CG1-CD1 4.27Å; V241-L294 HydrophobicContact CG2-CD1 4.25Å; R278-L294 HydrophobicContact CB-CB 3.82Å; R278-L294 PolarHBondContact NE-O 2.62Å; R278-L294 PolarHBondContact NH2-O 3.18Å; G279-L294 CarbonylContact O-C 3.53Å; G279-L294 WeakPolarHBondContact O-CA 3.25Å; G279-L294 PolarHBondContact O-N 3.05Å; Q281-L294 HydrophobicContact CB-CD1 3.82Å; Q281-L294 HydrophobicContact CB-CG 4.06Å; E292-L294 HydrophobicContact CG-CD2 4.08Å; E292-L294 PolarHBondContact O-N 3.49Å; E292-L294 VanDerWaalsContact O-N 3.12Å
295S98Very high96.5Very high2 Ų225.4 Ų25.41%0.01412%0.124CC..SBendtrans-65.7155.5177.1-173.80000112H275 I276 G279 N297 S322H275-S295 PolarHBondContact O-OG 3.33Å; I276-S295 WeakPolarHBondContact O-CB 3.41Å; I276-S295 PolarHBondContact O-OG 2.93Å; G279-S295 PolarHBondContact O-N 3.06Å; S295-N297 VanDerWaalsContact CB-O 3.27Å; S295-N297 WeakPolarHBondContact CB-O 3.43Å; S295-N297 PolarHBondContact OG-N 3.32Å; S295-N297 VanDerWaalsContact OG-N 3.1Å; S295-N297 PolarHBondContact OG-O 3.26Å; S295-S322 WeakPolarHBondContact O-CB 3.35Å; S295-S322 PolarHBondContact O-OG 3.2Å
296D97.4Very high96.9Very high127 Ų12725.1 Ų25.168%0.67912%0.123SC*.SBendtrans-73.3-17.2167.7-59.1-36.6000111.4
297N98.5Very high97.5Very high55 Ų5521.2 Ų21.229%0.29411%0.108SC..SBendtrans-100.8149.7172.9-67.7-78.1000110.9H275 C293 S295 V363H275-N297 PolarHBondContact O-ND2 2.85Å; C293-N297 PolarHBondContact SG-O 3.44Å; S295-N297 VanDerWaalsContact CB-O 3.27Å; S295-N297 WeakPolarHBondContact CB-O 3.43Å; S295-N297 PolarHBondContact OG-N 3.32Å; S295-N297 VanDerWaalsContact OG-N 3.1Å; S295-N297 PolarHBondContact OG-O 3.26Å; N297-V363 HydrophobicContact CB-CB 4.36Å; N297-V363 HydrophobicContact CB-CG1 4.17Å; N297-V363 HydrophobicContact CB-CG2 4.02Å
298A98.5Very high97.8Very high16 Ų1625.8 Ų25.813%0.13212%0.124CC..  trans-65.4152.4178.200000112.3F300 K319 I320 V363A298-F300 HydrophobicContact CB-CE2 4.26Å; A298-F300 HydrophobicContact CB-CZ 4.19Å; A298-K319 HydrophobicContact CB-CD 4.44Å; A298-K319 HydrophobicContact CB-CG 3.98Å; A298-I320 WeakPolarHBondContact CA-O 3.29Å; A298-I320 WeakPolarHBondContact CB-O 3.32Å; A298-V363 WeakPolarHBondContact O-CA 3.35Å; A298-V363 PolarHBondContact O-N 3.13Å
299I98.7Very high97.8Very high1 Ų129.5 Ų29.51%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-108160.2165.862.4-178.2000109.3V280 C293 I320 L360 S361 F362V280-I299 HydrophobicContact CB-CD1 3.95Å; V280-I299 HydrophobicContact CG2-CD1 3.48Å; V280-I299 VanDerWaalsContact CG2-CD1 3.48Å; C293-I299 HydrophobicContact CB-CD1 3.87Å; C293-I299 HydrophobicContact CB-CG1 3.98Å; I299-I320 HydrophobicContact CD1-CB 4.2Å; I299-I320 HydrophobicContact CD1-CD1 4.05Å; I299-I320 HydrophobicContact CD1-CG2 4.49Å; I299-I320 HydrophobicContact CG1-CB 3.69Å; I299-I320 HydrophobicContact CG1-CD1 4.17Å; I299-I320 HydrophobicContact CG1-CG1 4.31Å; I299-I320 HydrophobicContact CG1-CG2 4.39Å; I299-I320 PolarHBondContact N-O 2.91Å; I299-I320 PolarHBondContact O-N 3.24Å; I299-L360 HydrophobicContact CB-CD2 4.28Å; I299-L360 HydrophobicContact CD1-CD1 4.15Å; I299-L360 HydrophobicContact CG2-CD2 4.43Å; I299-S361 WeakPolarHBondContact CA-O 3.42Å; I299-F362 HydrophobicContact CG2-CD1 4.03Å
300F98.7Very high97.6Very high12 Ų1232 Ų325%0.05315%0.152CC..EExtended strand (participates in β ladder)trans-131.7127.7-176.4-56.1-97.7000108.5A298 V317 C318 K319 L360 S361 G365 W366 Y370A298-F300 HydrophobicContact CB-CE2 4.26Å; A298-F300 HydrophobicContact CB-CZ 4.19Å; F300-V317 HydrophobicContact CB-CG1 3.81Å; F300-C318 CarbonylContact C-O 3.46Å; F300-C318 WeakPolarHBondContact CA-O 3.22Å; F300-K319 HydrophobicContact CD1-CB 3.83Å; F300-K319 HydrophobicContact CD1-CG 4.01Å; F300-K319 HydrophobicContact CE1-CB 3.82Å; F300-K319 HydrophobicContact CE1-CD 3.82Å; F300-K319 HydrophobicContact CE1-CG 3.57Å; F300-K319 HydrophobicContact CZ-CD 4.32Å; F300-K319 HydrophobicContact CZ-CG 4.16Å; F300-L360 CarbonylContact O-C 3.39Å; F300-L360 WeakPolarHBondContact O-CA 3.4Å; F300-S361 PolarHBondContact N-O 3.28Å; F300-S361 PolarHBondContact O-N 2.94Å; F300-G365 VanDerWaalsContact CD1-CA 3.46Å; F300-G365 VanDerWaalsContact CD2-CA 3.46Å; F300-G365 VanDerWaalsContact CD2-N 3.33Å; F300-W366 HydrophobicContact CB-CE3 4.18Å; F300-W366 HydrophobicContact CB-CZ3 3.77Å; F300-W366 WeakPolarHBondContact O-CZ3 3.32Å; F300-Y370 HydrophobicContact CD1-CE2 4.32Å; F300-Y370 HydrophobicContact CE1-CE1 4.39Å; F300-Y370 HydrophobicContact CE1-CE2 4.27Å; F300-Y370 AromaticContact CE1-CZ 3.75Å; F300-Y370 WeakPolarHBondContact CE1-OH 3.4Å
301V98.7Very high97.5Very high2 Ų234.2 Ų34.21%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-125.3130.7-171.7-1780000110.3C318 I320 I328 I358 R359 L360V301-C318 PolarHBondContact N-O 3.03Å; V301-C318 WeakPolarHBondContact O-CB 3.34Å; V301-C318 PolarHBondContact O-N 2.71Å; V301-I320 HydrophobicContact CB-CD1 4.35Å; V301-I320 HydrophobicContact CG2-CD1 3.61Å; V301-I320 HydrophobicContact CG2-CG1 4.46Å; V301-I328 HydrophobicContact CB-CG2 4.47Å; V301-I328 HydrophobicContact CG1-CB 4.37Å; V301-I328 HydrophobicContact CG1-CG2 3.86Å; V301-I358 HydrophobicContact CG1-CG2 3.65Å; V301-R359 CarbonylContact C-O 3.53Å; V301-R359 WeakPolarHBondContact CA-O 3.21Å; V301-L360 HydrophobicContact CG2-CB 4.19Å; V301-L360 HydrophobicContact CG2-CD1 3.72Å; V301-L360 HydrophobicContact CG2-CG 3.82Å
302Q98.4Very high97.3Very high26 Ų2636.2 Ų36.212%0.12119%0.188CC..EExtended strand (participates in β ladder)trans-109.3113.6163.8-176.9-176.182.600107.9T315 V317 R359 W366Q302-T315 PolarHBondContact NE2-O 3.37Å; Q302-V317 HydrophobicContact CB-CG2 4.36Å; Q302-R359 HydrophobicContact CB-CB 4.42Å; Q302-R359 PolarHBondContact N-O 3.39Å; Q302-R359 PolarHBondContact O-N 3.1Å; Q302-W366 HydrophobicContact CB-CH2 4.19Å; Q302-W366 HydrophobicContact CB-CZ2 3.57Å
303S98.7Very high97.2Very high1 Ų135.3 Ų35.31%0.00718%0.183CC..EExtended strand (participates in β ladder)trans-132.3119.1170.51690000108.3N305 C306 N307 I328S303-N305 PolarHBondContact O-N 3.27Å; S303-N305 PolarHBondContact OG-N 3.05Å; S303-C306 PolarHBondContact O-N 2.94Å; S303-C306 PolarHBondContact OG-N 3.09Å; S303-N307 WeakPolarHBondContact O-CB 3.41Å; S303-N307 VanDerWaalsContact O-CG 3.23Å; S303-N307 PolarHBondContact O-N 3.37Å; S303-N307 PolarHBondContact O-ND2 2.98Å; S303-I328 WeakPolarHBondContact CB-O 3.45Å; S303-I328 PolarHBondContact OG-O 3.3Å
304R98.1Very high97.1Very high71 Ų7136.4 Ų36.427%0.26819%0.19SC..Hα-helixtrans-63.3-34.2178.6-65.3-168.5175-136.1-3.4111.9N307 Y308 P314 M355R304-N307 PolarHBondContact O-N 2.89Å; R304-Y308 WeakPolarHBondContact O-CB 3.1Å; R304-Y308 PolarHBondContact O-N 2.74Å; R304-P314 HydrophobicContact CG-CB 4.14Å; R304-P314 WeakPolarHBondContact CG-O 3.24Å; R304-M355 HydrophobicContact CB-SD 3.3Å; R304-M355 WeakPolarHBondContact CB-SD 3.2Å
305N98.1Very high97Very high2 Ų237 Ų371%0.01120%0.195CC..Hα-helixtrans-64.9-45.8175.5-176.3-84.7000111.8S303 N307 Y308 H309 F329 N330 M355S303-N305 PolarHBondContact O-N 3.27Å; S303-N305 PolarHBondContact OG-N 3.05Å; N305-N307 VanDerWaalsContact C-N 3.33Å; N305-N307 PolarHBondContact O-N 3.06Å; N305-Y308 PolarHBondContact O-N 3.16Å; N305-H309 PolarHBondContact O-N 3.49Å; N305-F329 HydrophobicContact CB-CD2 3.55Å; N305-F329 HydrophobicContact CB-CE2 3.95Å; N305-F329 HydrophobicContact CB-CG 4.46Å; N305-F329 WeakPolarHBondContact OD1-CA 3.41Å; N305-N330 PolarHBondContact ND2-O 2.88Å; N305-N330 PolarHBondContact OD1-N 3.29Å; N305-M355 HydrophobicContact CB-CE 3.78Å
306C97.7Very high97Very high4 Ų437 Ų373%0.02720%0.195CC..Hα-helixtrans-62.1-41.2174.1-1710000112.1S303 H309 H310 K327S303-C306 PolarHBondContact O-N 2.94Å; S303-C306 PolarHBondContact OG-N 3.09Å; C306-H309 WeakPolarHBondContact O-CB 3.36Å; C306-H309 PolarHBondContact O-N 3.02Å; C306-H310 PolarHBondContact O-N 3.41Å; C306-H310 PolarHBondContact O-ND1 3.2Å; C306-K327 PolarHBondContact SG-O 3.44Å
307N97.6Very high97Very high0 Ų031 Ų310%016%0.164CC..Hα-helixtrans-65.5-42178.5-70.7-16.1000111.3S303 R304 N305 H309 H310 G311 F312 H313 P314 T316S303-N307 WeakPolarHBondContact O-CB 3.41Å; S303-N307 VanDerWaalsContact O-CG 3.23Å; S303-N307 PolarHBondContact O-N 3.37Å; S303-N307 PolarHBondContact O-ND2 2.98Å; R304-N307 PolarHBondContact O-N 2.89Å; N305-N307 VanDerWaalsContact C-N 3.33Å; N305-N307 PolarHBondContact O-N 3.06Å; N307-H309 PolarHBondContact O-N 2.82Å; N307-H310 CarbonylContact O-C 3.58Å; N307-H310 PolarHBondContact O-N 2.82Å; N307-G311 PolarHBondContact O-N 2.9Å; N307-F312 HydrophobicContact CB-CB 4.03Å; N307-F312 PolarHBondContact O-N 2.89Å; N307-H313 PolarHBondContact ND2-O 3.43Å; N307-P314 PolarHBondContact ND2-O 2.87Å; N307-T316 PolarHBondContact ND2-N 3.46Å; N307-T316 PolarHBondContact ND2-O 2.8Å
308Y96.8Very high96.9Very high104 Ų10428.5 Ų28.541%0.40815%0.15SC..Hα-helixtrans-58.1-47.4174.2178.4-95.6000111.9R304 N305 H310 G311 L337R304-Y308 WeakPolarHBondContact O-CB 3.1Å; R304-Y308 PolarHBondContact O-N 2.74Å; N305-Y308 PolarHBondContact O-N 3.16Å; Y308-H310 PolarHBondContact O-N 3.17Å; Y308-G311 PolarHBondContact O-N 3.16Å; Y308-G311 VanDerWaalsContact O-N 3.08Å; Y308-L337 HydrophobicContact CD1-CD1 3.97Å; Y308-L337 HydrophobicContact CD2-CD1 4.36Å; Y308-L337 HydrophobicContact CE1-CD1 4.03Å; Y308-L337 HydrophobicContact CE1-CD2 4.23Å; Y308-L337 HydrophobicContact CE1-CG 4.27Å; Y308-L337 HydrophobicContact CE2-CD1 4.42Å; Y308-L337 HydrophobicContact CE2-CD2 3.87Å; Y308-L337 HydrophobicContact CG-CD1 4.14Å
309H95.3Very high96.9Very high99 Ų9931.2 Ų31.246%0.45816%0.159SC..Hα-helixtrans-53.6-39.7178-175.781.7000113N305 C306 N307 E333N305-H309 PolarHBondContact O-N 3.49Å; C306-H309 WeakPolarHBondContact O-CB 3.36Å; C306-H309 PolarHBondContact O-N 3.02Å; N307-H309 PolarHBondContact O-N 2.82Å; H309-E333 WeakPolarHBondContact CB-OE2 3.42Å; H309-E333 IonicContact CE1-OE1 3.28Å; H309-E333 PolarHBondContact CE1-OE1 3.22Å; H309-E333 IonicContact CG-OE1 3.57Å; H309-E333 IonicContact CG-OE2 2.94Å; H309-E333 IonicContact ND1-OE1 2.71Å; H309-E333 PolarHBondContact ND1-OE1 2.96Å; H309-E333 IonicContact ND1-OE2 3.43Å; H309-E333 PolarHBondContact ND1-OE2 2.83Å
310H93.8Very high96.9Very high54 Ų5431.2 Ų31.225%0.2516%0.159CC..THydrogen-bonded Turntrans-96.42.6-176.8-60.496.3000113.7F154 C306 N307 Y308 F312F154-H310 AromaticContact CE1-NE2 3.76Å; F154-H310 AromaticContact CZ-CE1 3.99Å; C306-H310 PolarHBondContact O-N 3.41Å; C306-H310 PolarHBondContact O-ND1 3.2Å; N307-H310 CarbonylContact O-C 3.58Å; N307-H310 PolarHBondContact O-N 2.82Å; Y308-H310 PolarHBondContact O-N 3.17Å; H310-F312 VanDerWaalsContact C-N 3.31Å; H310-F312 HydrophobicContact CB-CD1 4.06Å; H310-F312 HydrophobicContact CB-CD2 3.61Å; H310-F312 HydrophobicContact CB-CE1 3.74Å; H310-F312 HydrophobicContact CB-CE2 3.27Å; H310-F312 HydrophobicContact CB-CG 3.99Å; H310-F312 HydrophobicContact CB-CZ 3.33Å; H310-F312 AromaticContact CG-CE2 3.76Å; H310-F312 WeakPolarHBondContact O-CD1 3.21Å; H310-F312 WeakPolarHBondContact O-CE1 3.04Å; H310-F312 PolarHBondContact O-N 3.47Å
311G94.5Very high96.8Very high58 Ų5832.2 Ų32.260%0.59817%0.167SC*.THydrogen-bonded Turntrans68.326.1-177.300000114.4N307 Y308N307-G311 PolarHBondContact O-N 2.9Å; Y308-G311 PolarHBondContact O-N 3.16Å; Y308-G311 VanDerWaalsContact O-N 3.08Å
312F94.7Very high96.6Very high43 Ų4334.6 Ų34.619%0.18918%0.183CC..  trans-87162177.1-53.7-29.1000111.8I152 F154 P160 N307 H310 T316I152-F312 HydrophobicContact CB-CE2 4.44Å; I152-F312 HydrophobicContact CD1-CB 4.41Å; I152-F312 HydrophobicContact CD1-CD1 3.37Å; I152-F312 HydrophobicContact CD1-CD2 3.4Å; I152-F312 HydrophobicContact CD1-CE1 3.25Å; I152-F312 HydrophobicContact CD1-CE2 3.24Å; I152-F312 HydrophobicContact CD1-CG 3.46Å; I152-F312 VanDerWaalsContact CD1-CG 3.46Å; I152-F312 HydrophobicContact CD1-CZ 3.18Å; I152-F312 HydrophobicContact CG1-CE2 4.39Å; I152-F312 HydrophobicContact CG1-CZ 4.43Å; I152-F312 HydrophobicContact CG2-CE2 4.17Å; I152-F312 HydrophobicContact CG2-CZ 4.17Å; F154-F312 HydrophobicContact CE2-CE2 4.3Å; F154-F312 AromaticContact CZ-CE2 3.9Å; F154-F312 HydrophobicContact CZ-CE2 3.9Å; P160-F312 HydrophobicContact CG-CZ 3.97Å; N307-F312 HydrophobicContact CB-CB 4.03Å; N307-F312 PolarHBondContact O-N 2.89Å; H310-F312 VanDerWaalsContact C-N 3.31Å; H310-F312 HydrophobicContact CB-CD1 4.06Å; H310-F312 HydrophobicContact CB-CD2 3.61Å; H310-F312 HydrophobicContact CB-CE1 3.74Å; H310-F312 HydrophobicContact CB-CE2 3.27Å; H310-F312 HydrophobicContact CB-CG 3.99Å; H310-F312 HydrophobicContact CB-CZ 3.33Å; H310-F312 AromaticContact CG-CE2 3.76Å; H310-F312 WeakPolarHBondContact O-CD1 3.21Å; H310-F312 WeakPolarHBondContact O-CE1 3.04Å; H310-F312 PolarHBondContact O-N 3.47Å; F312-T316 HydrophobicContact CB-CG2 4.07Å; F312-T316 HydrophobicContact CD2-CG2 4.13Å; F312-T316 HydrophobicContact CG-CG2 4.33Å
313H95.1Very high96.3Very high29 Ų2934.8 Ų34.813%0.13419%0.192CC..  trans-56.7140.3170.8-172.3-94.7000110P146 P149 N307 T315 T316P146-H313 HydrophobicContact CG-CB 4.04Å; P146-H313 PolarHBondContact O-CD2 2.88Å; P149-H313 HydrophobicContact CB-CB 3.95Å; N307-H313 PolarHBondContact ND2-O 3.43Å; H313-T315 PolarHBondContact CE1-OG1 3.49Å; H313-T315 PolarHBondContact ND1-N 2.87Å; H313-T315 PolarHBondContact ND1-OG1 2.89Å; H313-T315 PolarHBondContact O-N 3.34Å; H313-T316 VanDerWaalsContact O-CB 3.27Å; H313-T316 WeakPolarHBondContact O-CB 3.47Å; H313-T316 PolarHBondContact O-N 2.93Å; H313-T316 PolarHBondContact O-OG1 2.94Å
314P95Very high96Very high24 Ų2435.3 Ų35.316%0.15620%0.196CC..THydrogen-bonded Turntrans-55.9-29.3-175.4-28.235000114.2E145 R304 N307E145-P314 HydrophobicContact CG-CG 4.47Å; E145-P314 WeakPolarHBondContact OE1-CG 3.46Å; R304-P314 HydrophobicContact CG-CB 4.14Å; R304-P314 WeakPolarHBondContact CG-O 3.24Å; N307-P314 PolarHBondContact ND2-O 2.87Å
315T95.2Very high95.8Very high46 Ų4632.3 Ų32.328%0.28219%0.186SC..THydrogen-bonded Turntrans-93.33179.468.60000114.8P149 Q302 H313 V317P149-T315 WeakPolarHBondContact CB-OG1 3.32Å; Q302-T315 PolarHBondContact NE2-O 3.37Å; H313-T315 PolarHBondContact CE1-OG1 3.49Å; H313-T315 PolarHBondContact ND1-N 2.87Å; H313-T315 PolarHBondContact ND1-OG1 2.89Å; H313-T315 PolarHBondContact O-N 3.34Å; T315-V317 PolarHBondContact O-N 3Å
316T96.6Very high95.7Very high3 Ų332.4 Ų32.42%0.01819%0.186CC..  trans-54.5137.3175.6-80.70000111.1H150 I152 N307 F312 H313H150-T316 WeakPolarHBondContact O-CG2 3.19Å; H150-T316 PolarHBondContact O-OG1 3.22Å; I152-T316 HydrophobicContact CD1-CG2 3.96Å; I152-T316 HydrophobicContact CG1-CG2 4.12Å; N307-T316 PolarHBondContact ND2-N 3.46Å; N307-T316 PolarHBondContact ND2-O 2.8Å; F312-T316 HydrophobicContact CB-CG2 4.07Å; F312-T316 HydrophobicContact CD2-CG2 4.13Å; F312-T316 HydrophobicContact CG-CG2 4.33Å; H313-T316 VanDerWaalsContact O-CB 3.27Å; H313-T316 WeakPolarHBondContact O-CB 3.47Å; H313-T316 PolarHBondContact O-N 2.93Å; H313-T316 PolarHBondContact O-OG1 2.94Å
317V97.7Very high95.6Very high2 Ų234.7 Ų34.71%0.01220%0.196CC..  trans-105.2124.1176.9-1750000109.6N151 I152 F300 Q302 T315 W366N151-V317 WeakPolarHBondContact CA-O 3.4Å; N151-V317 WeakPolarHBondContact OD1-CB 3.38Å; I152-V317 PolarHBondContact N-O 2.84Å; I152-V317 VanDerWaalsContact N-O 3.11Å; F300-V317 HydrophobicContact CB-CG1 3.81Å; Q302-V317 HydrophobicContact CB-CG2 4.36Å; T315-V317 PolarHBondContact O-N 3Å; V317-W366 WeakPolarHBondContact CB-O 3.06Å; V317-W366 HydrophobicContact CG1-CD2 4.18Å; V317-W366 HydrophobicContact CG1-CE3 4.06Å; V317-W366 HydrophobicContact CG1-CH2 4.06Å; V317-W366 HydrophobicContact CG1-CZ2 4.19Å; V317-W366 HydrophobicContact CG1-CZ3 3.98Å; V317-W366 HydrophobicContact CG2-CD2 4.05Å; V317-W366 HydrophobicContact CG2-CG 4.31Å; V317-W366 HydrophobicContact CG2-CZ2 3.96Å; V317-W366 VanDerWaalsContact CG2-O 3.3Å; V317-W366 WeakPolarHBondContact CG2-O 3.46Å
318C97.5Very high95.6Very high2 Ų234.9 Ų34.91%0.01420%0.197CC..EExtended strand (participates in β ladder)trans-98116-177.4-60.80000110I152 F154 F300 V301 L326I152-C318 CarbonylContact O-C 3.59Å; I152-C318 VanDerWaalsContact O-CA 3.31Å; I152-C318 WeakPolarHBondContact O-CA 3.46Å; F154-C318 HydrophobicContact CD2-CB 3.88Å; F154-C318 HydrophobicContact CE2-CB 3.66Å; F154-C318 VanDerWaalsContact CE2-SG 3.58Å; F300-C318 CarbonylContact C-O 3.46Å; F300-C318 WeakPolarHBondContact CA-O 3.22Å; V301-C318 PolarHBondContact N-O 3.03Å; V301-C318 WeakPolarHBondContact O-CB 3.34Å; V301-C318 PolarHBondContact O-N 2.71Å; C318-L326 HydrophobicContact CB-CD2 3.97Å
319K97.9Very high95.7Very high73 Ų7330 Ų3032%0.31718%0.178SC..EExtended strand (participates in β ladder)trans-77.3127170.7-179.2-178-178.4-176.40110I152 F154 A298 F300I152-K319 PolarHBondContact O-N 3.3Å; F154-K319 PolarHBondContact N-O 3.34Å; A298-K319 HydrophobicContact CB-CD 4.44Å; A298-K319 HydrophobicContact CB-CG 3.98Å; F300-K319 HydrophobicContact CD1-CB 3.83Å; F300-K319 HydrophobicContact CD1-CG 4.01Å; F300-K319 HydrophobicContact CE1-CB 3.82Å; F300-K319 HydrophobicContact CE1-CD 3.82Å; F300-K319 HydrophobicContact CE1-CG 3.57Å; F300-K319 HydrophobicContact CZ-CD 4.32Å; F300-K319 HydrophobicContact CZ-CG 4.16Å
320I98Very high95.7Very high0 Ų025.9 Ų25.90%016%0.159CC..EExtended strand (participates in β ladder)trans-112.6105.3173.8-49.4172.9000107.6A291 C293 A298 I299 V301 C324 L326A291-I320 HydrophobicContact CB-CD1 3.96Å; C293-I320 HydrophobicContact CB-CG2 3.91Å; A298-I320 WeakPolarHBondContact CA-O 3.29Å; A298-I320 WeakPolarHBondContact CB-O 3.32Å; I299-I320 HydrophobicContact CD1-CB 4.2Å; I299-I320 HydrophobicContact CD1-CD1 4.05Å; I299-I320 HydrophobicContact CD1-CG2 4.49Å; I299-I320 HydrophobicContact CG1-CB 3.69Å; I299-I320 HydrophobicContact CG1-CD1 4.17Å; I299-I320 HydrophobicContact CG1-CG1 4.31Å; I299-I320 HydrophobicContact CG1-CG2 4.39Å; I299-I320 PolarHBondContact N-O 2.91Å; I299-I320 PolarHBondContact O-N 3.24Å; V301-I320 HydrophobicContact CB-CD1 4.35Å; V301-I320 HydrophobicContact CG2-CD1 3.61Å; V301-I320 HydrophobicContact CG2-CG1 4.46Å; I320-C324 HydrophobicContact CG2-CB 3.89Å; I320-C324 WeakPolarHBondContact CG2-O 3.32Å; I320-L326 HydrophobicContact CD1-CB 3.74Å; I320-L326 HydrophobicContact CD1-CD2 4.04Å; I320-L326 HydrophobicContact CG1-CB 4.11Å; I320-L326 HydrophobicContact CG1-CD2 4.06Å
321P97.4Very high95.8Very high33 Ų3323.5 Ų23.521%0.21415%0.148CC..  trans-65.6163.4176.9-20.433.3000112.8F154 C293 G323 C324F154-P321 WeakPolarHBondContact O-CD 3.26Å; F154-P321 VanDerWaalsContact O-CG 3.3Å; F154-P321 WeakPolarHBondContact O-CG 3.35Å; C293-P321 VanDerWaalsContact CB-O 3.24Å; C293-P321 WeakPolarHBondContact CB-O 3.5Å; P321-G323 PolarHBondContact O-N 3.1Å; P321-C324 VanDerWaalsContact O-CB 3.23Å; P321-C324 WeakPolarHBondContact O-CB 3.39Å; P321-C324 PolarHBondContact O-N 3.41Å
322S95.4Very high95.8Very high52 Ų5224.5 Ų24.536%0.36414%0.137SC..THydrogen-bonded Turntrans-49.9133.4175.4-174.30000112.5S295 C324S295-S322 WeakPolarHBondContact O-CB 3.35Å; S295-S322 PolarHBondContact O-OG 3.2Å; S322-C324 PolarHBondContact O-N 2.64Å
323G90.7Very high95.8Very high30 Ų3023.5 Ų23.531%0.30913%0.133SC..THydrogen-bonded Turntrans71.15.9179.800000115.2Q156 C293 P321Q156-G323 PolarHBondContact NE2-O 3.36Å; C293-G323 PolarHBondContact O-N 2.7Å; P321-G323 PolarHBondContact O-N 3.1Å
324C92.9Very high96Very high13 Ų1322.1 Ų22.19%0.08813%0.126CC..  trans-95.8152.8174.2-58.20000111Q156 E292 C293 I320 P321 S322Q156-C324 PolarHBondContact N-SG 2.96Å; E292-C324 WeakPolarHBondContact CA-O 3.29Å; C293-C324 PolarHBondContact N-O 2.74Å; I320-C324 HydrophobicContact CG2-CB 3.89Å; I320-C324 WeakPolarHBondContact CG2-O 3.32Å; P321-C324 VanDerWaalsContact O-CB 3.23Å; P321-C324 WeakPolarHBondContact O-CB 3.39Å; P321-C324 PolarHBondContact O-N 3.41Å; S322-C324 PolarHBondContact O-N 2.64Å
325S93.7Very high96Very high7 Ų721.3 Ų21.35%0.04912%0.122CC..EExtended strand (participates in β ladder)trans-128.3145.1175.6-171.20000110.6H82 A291H82-S325 PolarHBondContact NE2-OG 2.8Å; A291-S325 CarbonylContact O-C 3.05Å; A291-S325 VanDerWaalsContact O-CA 3.25Å; A291-S325 WeakPolarHBondContact O-CA 3.33Å; A291-S325 PolarHBondContact O-OG 2.67Å
326L96.1Very high96Very high4 Ų424.5 Ų24.52%0.02113%0.134CC..EExtended strand (participates in β ladder)trans-134.8135.4-179.8-179.259.8000109.9F154 Y290 A291 C318 I320 I328F154-L326 HydrophobicContact CD1-CD1 3.5Å; F154-L326 VanDerWaalsContact CD1-CD1 3.5Å; F154-L326 HydrophobicContact CD1-CD2 4.47Å; F154-L326 HydrophobicContact CD2-CD1 4.31Å; F154-L326 HydrophobicContact CD2-CD2 3.79Å; F154-L326 HydrophobicContact CE1-CD1 3.47Å; F154-L326 VanDerWaalsContact CE1-CD1 3.47Å; F154-L326 HydrophobicContact CE2-CD1 4.31Å; F154-L326 HydrophobicContact CE2-CD2 3.9Å; F154-L326 HydrophobicContact CG-CD1 3.9Å; F154-L326 HydrophobicContact CG-CD2 4.07Å; F154-L326 HydrophobicContact CZ-CD1 3.88Å; F154-L326 HydrophobicContact CZ-CD2 4.23Å; Y290-L326 CarbonylContact C-O 3.56Å; Y290-L326 WeakPolarHBondContact CA-O 3.45Å; A291-L326 PolarHBondContact N-O 3.12Å; A291-L326 PolarHBondContact O-N 2.79Å; C318-L326 HydrophobicContact CB-CD2 3.97Å; I320-L326 HydrophobicContact CD1-CB 3.74Å; I320-L326 HydrophobicContact CD1-CD2 4.04Å; I320-L326 HydrophobicContact CG1-CB 4.11Å; I320-L326 HydrophobicContact CG1-CD2 4.06Å; L326-I328 HydrophobicContact CB-CG2 4.29Å; L326-I328 HydrophobicContact CD2-CG2 4.13Å; L326-I328 HydrophobicContact CG-CG2 4.03Å; L326-I328 PolarHBondContact O-N 2.88Å
327K95.9Very high96Very high53 Ų5325.2 Ų25.223%0.2314%0.138CC..EExtended strand (participates in β ladder)trans-72.4112.5166-173-172.4-62.2-175.10108.4E288 V289 Y290 C306 N330E288-K327 VanDerWaalsContact CD-NZ 3.25Å; E288-K327 WeakPolarHBondContact OE1-CE 3.46Å; E288-K327 IonicContact OE1-NZ 3.81Å; E288-K327 PolarHBondContact OE1-NZ 2.97Å; E288-K327 WeakPolarHBondContact OE2-CE 3.01Å; E288-K327 IonicContact OE2-NZ 3.46Å; E288-K327 PolarHBondContact OE2-NZ 2.81Å; V289-K327 CarbonylContact O-C 3.59Å; Y290-K327 HydrophobicContact CD1-CB 3.86Å; Y290-K327 HydrophobicContact CD1-CG 4.39Å; Y290-K327 HydrophobicContact CE1-CB 3.61Å; Y290-K327 HydrophobicContact CE1-CG 4.04Å; Y290-K327 WeakPolarHBondContact OH-CE 3.44Å; C306-K327 PolarHBondContact SG-O 3.44Å; K327-N330 HydrophobicContact CD-CB 4.26Å
328I98.3Very high96Very high3 Ų325.1 Ų25.12%0.01514%0.137CC..EExtended strand (participates in β ladder)trans-103.2-10.7-175.655.7168.7000112.5L282 V289 A291 V301 S303 L326 I358L282-I328 HydrophobicContact CD2-CD1 4.13Å; V289-I328 HydrophobicContact CB-CG1 4.09Å; V289-I328 HydrophobicContact CG1-CD1 3.85Å; V289-I328 HydrophobicContact CG1-CG1 3.85Å; V289-I328 VanDerWaalsContact O-CG1 3.3Å; V289-I328 WeakPolarHBondContact O-CG1 3.42Å; V289-I328 PolarHBondContact O-N 3.48Å; A291-I328 HydrophobicContact CB-CD1 3.68Å; A291-I328 HydrophobicContact CB-CG1 4.25Å; A291-I328 HydrophobicContact CB-CG2 4.03Å; V301-I328 HydrophobicContact CB-CG2 4.47Å; V301-I328 HydrophobicContact CG1-CB 4.37Å; V301-I328 HydrophobicContact CG1-CG2 3.86Å; S303-I328 WeakPolarHBondContact CB-O 3.45Å; S303-I328 PolarHBondContact OG-O 3.3Å; L326-I328 HydrophobicContact CB-CG2 4.29Å; L326-I328 HydrophobicContact CD2-CG2 4.13Å; L326-I328 HydrophobicContact CG-CG2 4.03Å; L326-I328 PolarHBondContact O-N 2.88Å; I328-I358 HydrophobicContact CD1-CD1 4.07Å; I328-I358 HydrophobicContact CD1-CG2 4.23Å; I328-I358 HydrophobicContact CG1-CD1 4.27Å
329F98.4Very high95.8Very high3 Ų328.7 Ų28.71%0.01315%0.153CC..EExtended strand (participates in β ladder)trans-153144.6171.4-171.9-96000111.5E288 V289 N305 N331 F334 M355 I358 L386 P389E288-F329 CarbonylContact C-O 3.46Å; E288-F329 VanDerWaalsContact CA-O 3.3Å; E288-F329 WeakPolarHBondContact CA-O 3.28Å; V289-F329 HydrophobicContact CB-CB 3.86Å; V289-F329 HydrophobicContact CG2-CB 3.92Å; V289-F329 HydrophobicContact CG2-CD1 4.38Å; V289-F329 PolarHBondContact N-O 2.97Å; V289-F329 PolarHBondContact O-N 3.21Å; N305-F329 HydrophobicContact CB-CD2 3.55Å; N305-F329 HydrophobicContact CB-CE2 3.95Å; N305-F329 HydrophobicContact CB-CG 4.46Å; N305-F329 WeakPolarHBondContact OD1-CA 3.41Å; F329-N331 HydrophobicContact CE1-CB 3.82Å; F329-F334 HydrophobicContact CE1-CB 4.45Å; F329-F334 HydrophobicContact CE2-CB 4.25Å; F329-F334 HydrophobicContact CE2-CD2 4.4Å; F329-F334 HydrophobicContact CE2-CG 4.47Å; F329-F334 HydrophobicContact CZ-CB 3.66Å; F329-F334 HydrophobicContact CZ-CD2 4.26Å; F329-F334 AromaticContact CZ-CG 3.92Å; F329-F334 HydrophobicContact CZ-CG 3.92Å; F329-M355 WeakPolarHBondContact CE2-O 3.49Å; F329-I358 HydrophobicContact CB-CD1 4.17Å; F329-L386 HydrophobicContact CB-CD1 3.93Å; F329-L386 HydrophobicContact CD1-CD1 3.65Å; F329-L386 HydrophobicContact CD2-CD1 3.33Å; F329-L386 HydrophobicContact CE1-CD1 3.91Å; F329-L386 HydrophobicContact CE2-CD1 3.63Å; F329-L386 HydrophobicContact CG-CD1 3.35Å; F329-L386 HydrophobicContact CZ-CD1 3.92Å; F329-P389 HydrophobicContact CE1-CG 3.56Å; F329-P389 HydrophobicContact CE2-CG 4.42Å; F329-P389 HydrophobicContact CZ-CB 3.9Å; F329-P389 HydrophobicContact CZ-CG 3.39Å
330N96Very high95.6Very high12 Ų1228.8 Ų28.86%0.06416%0.155CC..EExtended strand (participates in β ladder)trans-133.1114.5171.4-176.5-13.8000109.8N305 K327 Q332 E333 F334N305-N330 PolarHBondContact ND2-O 2.88Å; N305-N330 PolarHBondContact OD1-N 3.29Å; K327-N330 HydrophobicContact CD-CB 4.26Å; N330-Q332 VanDerWaalsContact C-N 3.27Å; N330-Q332 PolarHBondContact O-N 2.83Å; N330-Q332 WeakPolarHBondContact OD1-CB 3.19Å; N330-Q332 PolarHBondContact OD1-N 2.89Å; N330-E333 HydrophobicContact CB-CB 4.32Å; N330-E333 HydrophobicContact CB-CG 4.24Å; N330-E333 PolarHBondContact ND2-OE1 3.16Å; N330-E333 PolarHBondContact O-N 3.2Å; N330-F334 PolarHBondContact O-N 3.02Å; N330-F334 VanDerWaalsContact O-N 3.15Å
331N95.7Very high95.5Very high4 Ų429.2 Ų29.22%0.02116%0.158CC..Hα-helixtrans-68.9-22.8-178.3-157.923.6000113.3L116 Y211 G287 F329 F334 A335L116-N331 HydrophobicContact CD1-CB 4.39Å; L116-N331 VanDerWaalsContact CD1-ND2 3.25Å; L116-N331 WeakPolarHBondContact CD1-ND2 3.49Å; Y211-N331 WeakPolarHBondContact CE2-ND2 3.33Å; Y211-N331 VanDerWaalsContact CZ-ND2 3.28Å; G287-N331 WeakPolarHBondContact O-CB 3.27Å; G287-N331 PolarHBondContact O-N 2.77Å; F329-N331 HydrophobicContact CE1-CB 3.82Å; N331-F334 PolarHBondContact O-N 3.17Å; N331-A335 WeakPolarHBondContact O-CB 3.35Å; N331-A335 PolarHBondContact O-N 2.76Å
332Q94.1Very high95.3Very high78 Ų7827.9 Ų27.936%0.36415%0.149SC..Hα-helixtrans-67.8-42.2174-61.9-173.3-59.600111.7P114 L116 N330 F334 A335 Q336P114-Q332 HydrophobicContact CB-CG 4.19Å; P114-Q332 VanDerWaalsContact CG-CD 3.43Å; P114-Q332 HydrophobicContact CG-CG 3.63Å; L116-Q332 HydrophobicContact CD2-CB 4.3Å; L116-Q332 HydrophobicContact CD2-CG 3.85Å; N330-Q332 VanDerWaalsContact C-N 3.27Å; N330-Q332 PolarHBondContact O-N 2.83Å; N330-Q332 WeakPolarHBondContact OD1-CB 3.19Å; N330-Q332 PolarHBondContact OD1-N 2.89Å; Q332-F334 VanDerWaalsContact C-N 3.33Å; Q332-A335 WeakPolarHBondContact O-CB 3.27Å; Q332-A335 PolarHBondContact O-N 3.39Å; Q332-Q336 WeakPolarHBondContact O-CG 3.14Å; Q332-Q336 PolarHBondContact O-N 2.97Å
333E95.2Very high95Very high22 Ų2232.5 Ų32.510%0.10317%0.165CC..Hα-helixtrans-67.1-39.8176.7-71.3166.7-148.200110.5H309 N330 A335 Q336 L337H309-E333 WeakPolarHBondContact CB-OE2 3.42Å; H309-E333 IonicContact CE1-OE1 3.28Å; H309-E333 PolarHBondContact CE1-OE1 3.22Å; H309-E333 IonicContact CG-OE1 3.57Å; H309-E333 IonicContact CG-OE2 2.94Å; H309-E333 IonicContact ND1-OE1 2.71Å; H309-E333 PolarHBondContact ND1-OE1 2.96Å; H309-E333 IonicContact ND1-OE2 3.43Å; H309-E333 PolarHBondContact ND1-OE2 2.83Å; N330-E333 HydrophobicContact CB-CB 4.32Å; N330-E333 HydrophobicContact CB-CG 4.24Å; N330-E333 PolarHBondContact ND2-OE1 3.16Å; N330-E333 PolarHBondContact O-N 3.2Å; E333-A335 VanDerWaalsContact C-N 3.35Å; E333-A335 PolarHBondContact O-N 3.25Å; E333-Q336 PolarHBondContact O-N 2.78Å; E333-L337 WeakPolarHBondContact O-CG 3.44Å; E333-L337 PolarHBondContact O-N 2.97Å
334F97.7Very high95Very high0 Ų037.2 Ų37.20%017%0.173CC..Hα-helixtrans-59.8-44.5171.6-178.5-98.4000111.9F329 N330 N331 Q332 Q336 L337 L338 L352 M355 C356 P389 W392 L393F329-F334 HydrophobicContact CE1-CB 4.45Å; F329-F334 HydrophobicContact CE2-CB 4.25Å; F329-F334 HydrophobicContact CE2-CD2 4.4Å; F329-F334 HydrophobicContact CE2-CG 4.47Å; F329-F334 HydrophobicContact CZ-CB 3.66Å; F329-F334 HydrophobicContact CZ-CD2 4.26Å; F329-F334 AromaticContact CZ-CG 3.92Å; F329-F334 HydrophobicContact CZ-CG 3.92Å; N330-F334 PolarHBondContact O-N 3.02Å; N330-F334 VanDerWaalsContact O-N 3.15Å; N331-F334 PolarHBondContact O-N 3.17Å; Q332-F334 VanDerWaalsContact C-N 3.33Å; F334-Q336 VanDerWaalsContact C-N 3.34Å; F334-Q336 PolarHBondContact O-N 3.09Å; F334-L337 PolarHBondContact O-N 3.43Å; F334-L338 HydrophobicContact CE1-CB 4.48Å; F334-L338 HydrophobicContact CE1-CD2 3.98Å; F334-L338 VanDerWaalsContact O-CB 3.31Å; F334-L338 WeakPolarHBondContact O-CB 3.4Å; F334-L338 PolarHBondContact O-N 2.98Å; F334-L352 HydrophobicContact CE2-CB 4.1Å; F334-M355 HydrophobicContact CD2-CB 3.93Å; F334-M355 HydrophobicContact CE2-CB 4.03Å; F334-C356 WeakPolarHBondContact CE2-SG 3.46Å; F334-C356 VanDerWaalsContact CZ-SG 3.57Å; F334-P389 HydrophobicContact CD1-CB 3.88Å; F334-P389 HydrophobicContact CE1-CB 3.67Å; F334-P389 HydrophobicContact CE2-CB 4.4Å; F334-P389 HydrophobicContact CG-CB 4.33Å; F334-P389 HydrophobicContact CZ-CB 3.95Å; F334-W392 HydrophobicContact CD1-CE3 4.4Å; F334-W392 HydrophobicContact CE1-CE3 4.46Å; F334-L393 HydrophobicContact CE2-CD1 4.46Å; F334-L393 HydrophobicContact CZ-CB 4.17Å; F334-L393 HydrophobicContact CZ-CD1 3.99Å
335A95.9Very high94.9Very high8 Ų837.3 Ų37.37%0.06618%0.177CC..Hα-helixtrans-57.8-44.5176.800000112.5L116 N331 Q332 E333 L338 H339 W392L116-A335 HydrophobicContact CD2-CB 4.1Å; N331-A335 WeakPolarHBondContact O-CB 3.35Å; N331-A335 PolarHBondContact O-N 2.76Å; Q332-A335 WeakPolarHBondContact O-CB 3.27Å; Q332-A335 PolarHBondContact O-N 3.39Å; E333-A335 VanDerWaalsContact C-N 3.35Å; E333-A335 PolarHBondContact O-N 3.25Å; A335-L338 PolarHBondContact O-N 2.93Å; A335-H339 WeakPolarHBondContact O-CB 3.25Å; A335-H339 PolarHBondContact O-N 2.63Å; A335-W392 HydrophobicContact CB-CH2 3.48Å; A335-W392 VanDerWaalsContact CB-CH2 3.48Å; A335-W392 HydrophobicContact CB-CZ3 3.47Å; A335-W392 VanDerWaalsContact CB-CZ3 3.47Å
336Q95.1Very high94.8Very high113 Ų11339.8 Ų39.853%0.52819%0.187SC..Hα-helixtrans-63.6-44.9177.9-71171.1-0.900111.5Q332 E333 F334 H339 Q340Q332-Q336 WeakPolarHBondContact O-CG 3.14Å; Q332-Q336 PolarHBondContact O-N 2.97Å; E333-Q336 PolarHBondContact O-N 2.78Å; F334-Q336 VanDerWaalsContact C-N 3.34Å; F334-Q336 PolarHBondContact O-N 3.09Å; Q336-H339 PolarHBondContact O-N 2.78Å; Q336-Q340 VanDerWaalsContact O-CG 3.29Å; Q336-Q340 WeakPolarHBondContact O-CG 3.37Å; Q336-Q340 PolarHBondContact O-N 3.49Å
337L96.6Very high94.6Very high18 Ų1846.7 Ų46.79%0.09422%0.219CC..Hα-helixtrans-64.6-40.9176.8-73.3171.9000112Y308 E333 F334 Q340 S341 L352 M355Y308-L337 HydrophobicContact CD1-CD1 3.97Å; Y308-L337 HydrophobicContact CD2-CD1 4.36Å; Y308-L337 HydrophobicContact CE1-CD1 4.03Å; Y308-L337 HydrophobicContact CE1-CD2 4.23Å; Y308-L337 HydrophobicContact CE1-CG 4.27Å; Y308-L337 HydrophobicContact CE2-CD1 4.42Å; Y308-L337 HydrophobicContact CE2-CD2 3.87Å; Y308-L337 HydrophobicContact CG-CD1 4.14Å; E333-L337 WeakPolarHBondContact O-CG 3.44Å; E333-L337 PolarHBondContact O-N 2.97Å; F334-L337 PolarHBondContact O-N 3.43Å; L337-Q340 PolarHBondContact O-N 3.06Å; L337-S341 VanDerWaalsContact O-CB 3.27Å; L337-S341 WeakPolarHBondContact O-CB 3.33Å; L337-S341 PolarHBondContact O-N 3.33Å; L337-S341 PolarHBondContact O-OG 3.34Å; L337-L352 HydrophobicContact CB-CD1 4.4Å; L337-L352 HydrophobicContact CB-CD2 4.07Å; L337-M355 HydrophobicContact CD1-CE 3.44Å; L337-M355 VanDerWaalsContact CD1-CE 3.44Å
338L96.9Very high94.5Very high0 Ų044.6 Ų44.60%021%0.212CC..Hα-helixtrans-61.1-48.2176-177.557.3000110.8V119 F334 A335 Q340 S341 V342 V349 L352 W392 V396V119-L338 HydrophobicContact CG1-CG 4.45Å; V119-L338 HydrophobicContact CG2-CB 4.4Å; V119-L338 HydrophobicContact CG2-CD2 3.99Å; V119-L338 HydrophobicContact CG2-CG 3.96Å; F334-L338 HydrophobicContact CE1-CB 4.48Å; F334-L338 HydrophobicContact CE1-CD2 3.98Å; F334-L338 VanDerWaalsContact O-CB 3.31Å; F334-L338 WeakPolarHBondContact O-CB 3.4Å; F334-L338 PolarHBondContact O-N 2.98Å; A335-L338 PolarHBondContact O-N 2.93Å; L338-Q340 PolarHBondContact O-N 2.98Å; L338-S341 PolarHBondContact O-N 2.9Å; L338-V342 WeakPolarHBondContact O-CG2 3.48Å; L338-V342 PolarHBondContact O-N 3.02Å; L338-V342 VanDerWaalsContact O-N 3.11Å; L338-V349 HydrophobicContact CD1-CG1 3.7Å; L338-L352 VanDerWaalsContact CA-CD1 3.42Å; L338-L352 HydrophobicContact CB-CD1 4.05Å; L338-L352 HydrophobicContact CD1-CD1 3.99Å; L338-W392 HydrophobicContact CD2-CD2 3.81Å; L338-W392 HydrophobicContact CD2-CE3 4.12Å; L338-W392 HydrophobicContact CD2-CG 3.98Å; L338-V396 HydrophobicContact CD1-CB 4.42Å; L338-V396 HydrophobicContact CD1-CG1 4.23Å; L338-V396 HydrophobicContact CD1-CG2 4.47Å; L338-V396 HydrophobicContact CD2-CG2 4.12Å; L338-V396 HydrophobicContact CG-CG2 4.42Å
339H94.1Very high94.3Very high77 Ų7744.5 Ų44.536%0.35621%0.211SC..Hα-helixtrans-56.8-47.5175.7179.676.8000112.6V119 A335 Q336 S341V119-H339 HydrophobicContact CG2-CB 4.45Å; A335-H339 WeakPolarHBondContact O-CB 3.25Å; A335-H339 PolarHBondContact O-N 2.63Å; Q336-H339 PolarHBondContact O-N 2.78Å; H339-S341 VanDerWaalsContact C-N 3.32Å; H339-S341 PolarHBondContact O-N 3.03Å
340Q94.4Very high94.2Very high75 Ų7550.6 Ų50.635%0.3524%0.235SC..Hα-helixtrans-65.4-35.7178-69.2172.829.700112.5Q336 L337 L338 Q343Q336-Q340 VanDerWaalsContact O-CG 3.29Å; Q336-Q340 WeakPolarHBondContact O-CG 3.37Å; Q336-Q340 PolarHBondContact O-N 3.49Å; L337-Q340 PolarHBondContact O-N 3.06Å; L338-Q340 PolarHBondContact O-N 2.98Å; Q340-Q343 PolarHBondContact O-N 3.15Å
341S95.3Very high94.2Very high8 Ų853.1 Ų53.16%0.05625%0.246CC..Hα-helixtrans-73.5-29.3-176.5-600000112.6L337 L338 H339 Q343 R344 G345 V349 L352L337-S341 VanDerWaalsContact O-CB 3.27Å; L337-S341 WeakPolarHBondContact O-CB 3.33Å; L337-S341 PolarHBondContact O-N 3.33Å; L337-S341 PolarHBondContact O-OG 3.34Å; L338-S341 PolarHBondContact O-N 2.9Å; H339-S341 VanDerWaalsContact C-N 3.32Å; H339-S341 PolarHBondContact O-N 3.03Å; S341-Q343 PolarHBondContact O-N 3.11Å; S341-R344 CarbonylContact O-C 3.59Å; S341-R344 WeakPolarHBondContact O-CA 3.34Å; S341-R344 WeakPolarHBondContact O-CB 3.44Å; S341-R344 PolarHBondContact O-N 2.95Å; S341-G345 PolarHBondContact O-N 3.24Å; S341-V349 VanDerWaalsContact C-CG2 3.46Å; S341-L352 WeakPolarHBondContact OG-CD1 3.34Å
342V93Very high94.3Very high6 Ų653.7 Ų53.74%0.03625%0.249CC..Hα-helixtrans-55.9-40.3173.5170.30000111.4V119 L338 R344 G345 V349 V396 M400V119-V342 HydrophobicContact CG1-CG2 3.63Å; L338-V342 WeakPolarHBondContact O-CG2 3.48Å; L338-V342 PolarHBondContact O-N 3.02Å; L338-V342 VanDerWaalsContact O-N 3.11Å; V342-R344 PolarHBondContact O-N 3.06Å; V342-G345 PolarHBondContact O-N 3.24Å; V342-V349 HydrophobicContact CB-CG2 4.47Å; V342-V349 HydrophobicContact CG2-CG2 3.98Å; V342-V396 HydrophobicContact CG2-CG1 3.48Å; V342-V396 VanDerWaalsContact CG2-CG1 3.48Å; V342-M400 HydrophobicContact CG1-CE 4.48Å; V342-M400 HydrophobicContact CG1-SD 4.4Å; V342-M400 HydrophobicContact CG2-SD 4.18Å
343Q89Confident94.4Very high148 Ų14851.9 Ų51.969%0.69224%0.243SC*.THydrogen-bonded Turntrans-68.5-19.6177.9-59.9177.7-3.700113Q340 S341Q340-Q343 PolarHBondContact O-N 3.15Å; S341-Q343 PolarHBondContact O-N 3.11Å
344R90.3Very high94.5Very high129 Ų12954.9 Ų54.949%0.48726%0.256SS..THydrogen-bonded Turntrans-94.4-4.6179.2-60.1179.3-171174.73.7113.2S341 V342 A348S341-R344 CarbonylContact O-C 3.59Å; S341-R344 WeakPolarHBondContact O-CA 3.34Å; S341-R344 WeakPolarHBondContact O-CB 3.44Å; S341-R344 PolarHBondContact O-N 2.95Å; V342-R344 PolarHBondContact O-N 3.06Å; R344-A348 HydrophobicContact CB-CB 3.56Å
345G91Very high94.5Very high16 Ų1655.7 Ų55.717%0.16526%0.26CS..  trans96.9178.4175.200000114.8S341 V342 E347 A348 V349 M400S341-G345 PolarHBondContact O-N 3.24Å; V342-G345 PolarHBondContact O-N 3.24Å; G345-E347 PolarHBondContact O-N 3.36Å; G345-A348 PolarHBondContact O-N 3.02Å; G345-V349 PolarHBondContact O-N 2.76Å; G345-M400 VanDerWaalsContact C-CE 3.47Å
346F91.1Very high94.6Very high59 Ų5955.3 Ų55.326%0.25926%0.257SS..Hα-helixtrans-57.9-44.7-168.4-173.4-82.8000113.2A348 V349 Y350 L397 M400 G401 P403F346-A348 PolarHBondContact O-N 3.1Å; F346-V349 PolarHBondContact O-N 2.92Å; F346-Y350 WeakPolarHBondContact O-CB 3.17Å; F346-Y350 PolarHBondContact O-N 2.86Å; F346-L397 HydrophobicContact CD1-CD2 4.29Å; F346-L397 HydrophobicContact CD2-CD2 3.77Å; F346-L397 HydrophobicContact CE1-CD2 4.18Å; F346-L397 HydrophobicContact CE2-CB 4.01Å; F346-L397 HydrophobicContact CE2-CD2 3.66Å; F346-L397 HydrophobicContact CE2-CG 4.35Å; F346-L397 HydrophobicContact CG-CD2 4.09Å; F346-L397 HydrophobicContact CZ-CB 4.38Å; F346-L397 HydrophobicContact CZ-CD1 4.44Å; F346-L397 HydrophobicContact CZ-CD2 3.87Å; F346-L397 HydrophobicContact CZ-CG 4.48Å; F346-M400 HydrophobicContact CD2-CB 4.43Å; F346-G401 WeakPolarHBondContact CD2-O 3.41Å; F346-G401 WeakPolarHBondContact CE2-O 3.29Å; F346-P403 HydrophobicContact CB-CB 4.4Å; F346-P403 HydrophobicContact CD1-CB 4.34Å; F346-P403 HydrophobicContact CD1-CG 4.17Å; F346-P403 HydrophobicContact CE1-CG 4.38Å; F346-P403 HydrophobicContact CG-CB 4.38Å
347E92.6Very high94.8Very high149 Ų14951.3 Ų51.370%0.69624%0.24SC*.Hα-helixtrans-62.5-42.3-178.3-174.5176.4-172.800112.1G345 V349 Y350 E351G345-E347 PolarHBondContact O-N 3.36Å; E347-V349 VanDerWaalsContact C-N 3.33Å; E347-V349 PolarHBondContact O-N 3.36Å; E347-Y350 PolarHBondContact O-N 3.04Å; E347-E351 WeakPolarHBondContact O-CB 3.35Å; E347-E351 WeakPolarHBondContact O-CG 3.39Å; E347-E351 PolarHBondContact O-N 3.4Å
348A94.5Very high94.9Very high9 Ų950.5 Ų50.57%0.07424%0.236CC..Hα-helixtrans-63.3-39.1177.400000112.1R344 G345 F346R344-A348 HydrophobicContact CB-CB 3.56Å; G345-A348 PolarHBondContact O-N 3.02Å; F346-A348 PolarHBondContact O-N 3.1Å
349V94.6Very high95Very high0 Ų054.7 Ų54.70%025%0.252CS..Hα-helixtrans-68.2-44174177.20000110.9L338 S341 V342 G345 F346 E347 E351 L352 L393 V396 L397 M400L338-V349 HydrophobicContact CD1-CG1 3.7Å; S341-V349 VanDerWaalsContact C-CG2 3.46Å; V342-V349 HydrophobicContact CB-CG2 4.47Å; V342-V349 HydrophobicContact CG2-CG2 3.98Å; G345-V349 PolarHBondContact O-N 2.76Å; F346-V349 PolarHBondContact O-N 2.92Å; E347-V349 VanDerWaalsContact C-N 3.33Å; E347-V349 PolarHBondContact O-N 3.36Å; V349-E351 VanDerWaalsContact C-N 3.3Å; V349-E351 PolarHBondContact O-N 2.75Å; V349-L352 WeakPolarHBondContact O-CB 3.49Å; V349-L352 PolarHBondContact O-N 2.78Å; V349-L352 VanDerWaalsContact O-N 3.1Å; V349-L393 HydrophobicContact CG1-CG 4.19Å; V349-L393 WeakPolarHBondContact O-CD1 3.11Å; V349-V396 HydrophobicContact CG1-CG1 4.04Å; V349-L397 HydrophobicContact CB-CD2 3.71Å; V349-L397 HydrophobicContact CG1-CD2 3.47Å; V349-L397 VanDerWaalsContact CG1-CD2 3.47Å; V349-L397 HydrophobicContact CG1-CG 3.81Å; V349-M400 HydrophobicContact CB-SD 4.24Å; V349-M400 HydrophobicContact CG1-SD 4.49Å; V349-M400 HydrophobicContact CG2-CE 4.11Å; V349-M400 HydrophobicContact CG2-SD 3.69Å
350Y95.2Very high95.2Very high131 Ų13151 Ų5151%0.51424%0.235SC..Hα-helixtrans-60.7-40.1179.5-178.2-99.4000112F346 E347 L352 T353 L397F346-Y350 WeakPolarHBondContact O-CB 3.17Å; F346-Y350 PolarHBondContact O-N 2.86Å; E347-Y350 PolarHBondContact O-N 3.04Å; Y350-L352 PolarHBondContact O-N 2.77Å; Y350-T353 WeakPolarHBondContact O-CB 3.39Å; Y350-T353 PolarHBondContact O-N 3.13Å; Y350-T353 PolarHBondContact O-OG1 2.73Å; Y350-L397 HydrophobicContact CD2-CD1 3.99Å
351E96.2Very high95.4Very high65 Ų6547.5 Ų47.530%0.30422%0.218SC..Hα-helixtrans-58-28.7175.9-82.2-67.1118.400113.4E347 V349 T353 K354E347-E351 WeakPolarHBondContact O-CB 3.35Å; E347-E351 WeakPolarHBondContact O-CG 3.39Å; E347-E351 PolarHBondContact O-N 3.4Å; V349-E351 VanDerWaalsContact C-N 3.3Å; V349-E351 PolarHBondContact O-N 2.75Å; E351-T353 PolarHBondContact O-N 2.94Å; E351-T353 VanDerWaalsContact O-N 3.14Å; E351-K354 WeakPolarHBondContact O-CB 3.49Å; E351-K354 PolarHBondContact O-N 3.28Å; E351-K354 VanDerWaalsContact O-N 3.11Å; E351-K354 WeakPolarHBondContact OE1-CE 3.28Å; E351-K354 IonicContact OE1-NZ 2.74Å; E351-K354 PolarHBondContact OE1-NZ 2.97Å; E351-K354 WeakPolarHBondContact OE2-CE 3.31Å; E351-K354 IonicContact OE2-NZ 2.62Å; E351-K354 PolarHBondContact OE2-NZ 3.16Å
352L97.2Very high95.6Very high16 Ų1647.2 Ų47.28%0.08422%0.216CC..G310 helixtrans-65.3-13174.9-65.5178.4000113.5F334 L337 L338 S341 V349 Y350 K354 M355 L393F334-L352 HydrophobicContact CE2-CB 4.1Å; L337-L352 HydrophobicContact CB-CD1 4.4Å; L337-L352 HydrophobicContact CB-CD2 4.07Å; L338-L352 VanDerWaalsContact CA-CD1 3.42Å; L338-L352 HydrophobicContact CB-CD1 4.05Å; L338-L352 HydrophobicContact CD1-CD1 3.99Å; S341-L352 WeakPolarHBondContact OG-CD1 3.34Å; V349-L352 WeakPolarHBondContact O-CB 3.49Å; V349-L352 PolarHBondContact O-N 2.78Å; V349-L352 VanDerWaalsContact O-N 3.1Å; Y350-L352 PolarHBondContact O-N 2.77Å; L352-K354 PolarHBondContact O-N 2.76Å; L352-K354 VanDerWaalsContact O-N 3.11Å; L352-M355 HydrophobicContact CD2-CG 3.91Å; L352-M355 WeakPolarHBondContact O-CA 3.4Å; L352-M355 WeakPolarHBondContact O-CB 3.33Å; L352-M355 PolarHBondContact O-N 3.34Å; L352-L393 HydrophobicContact CB-CD1 3.62Å
353T97.4Very high95.8Very high40 Ų4048 Ų4825%0.24522%0.221CC..G310 helixtrans-53-33.7169.8-57.10000111Y350 E351 M355 C356 L390Y350-T353 WeakPolarHBondContact O-CB 3.39Å; Y350-T353 PolarHBondContact O-N 3.13Å; Y350-T353 PolarHBondContact O-OG1 2.73Å; E351-T353 PolarHBondContact O-N 2.94Å; E351-T353 VanDerWaalsContact O-N 3.14Å; T353-M355 PolarHBondContact O-N 3.47Å; T353-C356 WeakPolarHBondContact O-CB 3.48Å; T353-C356 PolarHBondContact O-N 3.04Å; T353-C356 VanDerWaalsContact O-N 3.09Å; T353-L390 HydrophobicContact CG2-CD2 3.86Å
354K97.4Very high96.3Very high86 Ų8645.2 Ų45.237%0.37421%0.207SC..G310 helixtrans-67.1-20.3177.2-59.1175.6-174.9163.70113.1E351 L352 C356E351-K354 WeakPolarHBondContact O-CB 3.49Å; E351-K354 PolarHBondContact O-N 3.28Å; E351-K354 VanDerWaalsContact O-N 3.11Å; E351-K354 WeakPolarHBondContact OE1-CE 3.28Å; E351-K354 IonicContact OE1-NZ 2.74Å; E351-K354 PolarHBondContact OE1-NZ 2.97Å; E351-K354 WeakPolarHBondContact OE2-CE 3.31Å; E351-K354 IonicContact OE2-NZ 2.62Å; E351-K354 PolarHBondContact OE2-NZ 3.16Å; L352-K354 PolarHBondContact O-N 2.76Å; L352-K354 VanDerWaalsContact O-N 3.11Å; K354-C356 VanDerWaalsContact C-N 3.34Å
355M96.6Very high96.6Very high16 Ų1639.3 Ų39.38%0.07919%0.186CC..G310 helixtrans-77-23.2174.2-59.1-72.8-75.400112.3R304 N305 F329 F334 L337 L352 T353 T357R304-M355 HydrophobicContact CB-SD 3.3Å; R304-M355 WeakPolarHBondContact CB-SD 3.2Å; N305-M355 HydrophobicContact CB-CE 3.78Å; F329-M355 WeakPolarHBondContact CE2-O 3.49Å; F334-M355 HydrophobicContact CD2-CB 3.93Å; F334-M355 HydrophobicContact CE2-CB 4.03Å; L337-M355 HydrophobicContact CD1-CE 3.44Å; L337-M355 VanDerWaalsContact CD1-CE 3.44Å; L352-M355 HydrophobicContact CD2-CG 3.91Å; L352-M355 WeakPolarHBondContact O-CA 3.4Å; L352-M355 WeakPolarHBondContact O-CB 3.33Å; L352-M355 PolarHBondContact O-N 3.34Å; T353-M355 PolarHBondContact O-N 3.47Å; M355-T357 VanDerWaalsContact C-N 3.32Å
356C98.4Very high96.9Very high0 Ų038.9 Ų38.90%018%0.179CC..G310 helixtrans-88.7-0.2-178.4-48.50000113.4F334 T353 K354 L386 P389 L390F334-C356 WeakPolarHBondContact CE2-SG 3.46Å; F334-C356 VanDerWaalsContact CZ-SG 3.57Å; T353-C356 WeakPolarHBondContact O-CB 3.48Å; T353-C356 PolarHBondContact O-N 3.04Å; T353-C356 VanDerWaalsContact O-N 3.09Å; K354-C356 VanDerWaalsContact C-N 3.34Å; C356-L386 PolarHBondContact O-N 3.29Å; C356-P389 HydrophobicContact CB-CB 4.34Å; C356-L390 HydrophobicContact CB-CD1 4.34Å; C356-L390 HydrophobicContact CB-CD2 3.63Å; C356-L390 HydrophobicContact CB-CG 3.56Å
357T98.5Very high97.1Very high30 Ų3036.5 Ų36.518%0.18417%0.172CC..EExtended strand (participates in β ladder)trans-112.4127.8179-54.40000109.4M355 E383 V384 H385M355-T357 VanDerWaalsContact C-N 3.32Å; T357-E383 HydrophobicContact CG2-CG 3.64Å; T357-V384 WeakPolarHBondContact CA-O 3.47Å; T357-H385 PolarHBondContact OG1-CD2 2.86Å
358I98.8Very high96.9Very high1 Ų131.7 Ų31.71%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-120.6131.9177.5-60.1167.9000108.3V301 I328 F329 V384 L386V301-I358 HydrophobicContact CG1-CG2 3.65Å; I328-I358 HydrophobicContact CD1-CD1 4.07Å; I328-I358 HydrophobicContact CD1-CG2 4.23Å; I328-I358 HydrophobicContact CG1-CD1 4.27Å; F329-I358 HydrophobicContact CB-CD1 4.17Å; I358-V384 HydrophobicContact CB-CB 4.26Å; I358-V384 PolarHBondContact N-O 3.27Å; I358-V384 PolarHBondContact O-N 3.31Å; I358-L386 HydrophobicContact CD1-CD1 4.01Å; I358-L386 HydrophobicContact CD1-CG 4.43Å
359R98.9Very high96.6Very high87 Ų8736.3 Ų36.333%0.32818%0.178SC..EExtended strand (participates in β ladder)trans-109.8132.7177-71168.6171.8167.50.5109.4V301 Q302 W366 V375 W381 E383V301-R359 CarbonylContact C-O 3.53Å; V301-R359 WeakPolarHBondContact CA-O 3.21Å; Q302-R359 HydrophobicContact CB-CB 4.42Å; Q302-R359 PolarHBondContact N-O 3.39Å; Q302-R359 PolarHBondContact O-N 3.1Å; R359-W366 HydrophobicContact CB-CH2 4.22Å; R359-W366 HydrophobicContact CB-CZ2 4.07Å; R359-V375 HydrophobicContact CB-CG2 4.36Å; R359-W381 HydrophobicContact CG-CZ3 4.12Å; R359-E383 HydrophobicContact CG-CG 4.28Å; R359-E383 IonicContact CZ-OE2 3.76Å; R359-E383 IonicContact NE-OE2 3.38Å; R359-E383 PolarHBondContact NE-OE2 3.17Å; R359-E383 IonicContact NH2-OE2 2.63Å; R359-E383 PolarHBondContact NH2-OE2 3.27Å; R359-E383 VanDerWaalsContact NH2-OE2 3.16Å
360L98.9Very high96.4Very high1 Ų139.5 Ų39.51%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-135.8125.8-179.2-179.7161.5000110.2V280 I299 F300 V301 F362 W381 I382V280-L360 HydrophobicContact CB-CD1 4.37Å; V280-L360 HydrophobicContact CG1-CD1 4.12Å; V280-L360 HydrophobicContact CG1-CD2 4.35Å; V280-L360 HydrophobicContact CG2-CD1 3.96Å; I299-L360 HydrophobicContact CB-CD2 4.28Å; I299-L360 HydrophobicContact CD1-CD1 4.15Å; I299-L360 HydrophobicContact CG2-CD2 4.43Å; F300-L360 CarbonylContact O-C 3.39Å; F300-L360 WeakPolarHBondContact O-CA 3.4Å; V301-L360 HydrophobicContact CG2-CB 4.19Å; V301-L360 HydrophobicContact CG2-CD1 3.72Å; V301-L360 HydrophobicContact CG2-CG 3.82Å; L360-F362 HydrophobicContact CD2-CD1 4.19Å; L360-F362 HydrophobicContact CD2-CD2 4.45Å; L360-F362 HydrophobicContact CD2-CE1 3.96Å; L360-F362 HydrophobicContact CD2-CE2 4.23Å; L360-F362 HydrophobicContact CD2-CG 4.44Å; L360-F362 HydrophobicContact CD2-CZ 3.97Å; L360-W381 CarbonylContact O-C 3.58Å; L360-W381 WeakPolarHBondContact O-CA 3.42Å; L360-W381 VanDerWaalsContact O-CB 3.27Å; L360-W381 WeakPolarHBondContact O-CB 3.3Å; L360-I382 HydrophobicContact CB-CD1 4.29Å; L360-I382 HydrophobicContact CB-CG1 3.8Å; L360-I382 HydrophobicContact CD1-CD1 4.46Å; L360-I382 HydrophobicContact CD2-CD1 4.2Å; L360-I382 HydrophobicContact CD2-CG1 4.05Å; L360-I382 HydrophobicContact CG-CG1 4.41Å; L360-I382 PolarHBondContact N-O 2.99Å; L360-I382 PolarHBondContact O-N 2.67Å
361S98.8Very high96.2Very high0 Ų041.9 Ų41.90%021%0.206CC..EExtended strand (participates in β ladder)trans-107.3149171.476.30000111.9I299 F300 K364 W366I299-S361 WeakPolarHBondContact CA-O 3.42Å; F300-S361 PolarHBondContact N-O 3.28Å; F300-S361 PolarHBondContact O-N 2.94Å; S361-K364 WeakPolarHBondContact CB-O 3.39Å; S361-K364 PolarHBondContact OG-O 3.34Å; S361-W366 WeakPolarHBondContact OG-CZ3 3.36Å
362F98.8Very high96.2Very high2 Ų242.4 Ų42.41%0.00921%0.205CC..EExtended strand (participates in β ladder)trans-96.2137.3175.9-59.3-84.1000110.4I242 L257 I276 V280 I299 L360 K364 C380 I382I242-F362 HydrophobicContact CB-CZ 4.34Å; I242-F362 HydrophobicContact CG2-CZ 3.83Å; L257-F362 HydrophobicContact CD1-CD2 4.45Å; L257-F362 HydrophobicContact CD1-CE2 3.8Å; L257-F362 HydrophobicContact CD1-CZ 4.15Å; I276-F362 HydrophobicContact CD1-CB 4.16Å; I276-F362 HydrophobicContact CD1-CD2 4.15Å; I276-F362 HydrophobicContact CD1-CG 4.13Å; I276-F362 HydrophobicContact CG1-CB 3.79Å; I276-F362 HydrophobicContact CG1-CG 4.1Å; I276-F362 HydrophobicContact CG2-CD1 3.82Å; I276-F362 HydrophobicContact CG2-CE1 4.15Å; I276-F362 HydrophobicContact CG2-CG 4.19Å; V280-F362 HydrophobicContact CB-CE1 4.29Å; V280-F362 HydrophobicContact CG1-CE1 3.75Å; V280-F362 HydrophobicContact CG1-CZ 4.05Å; I299-F362 HydrophobicContact CG2-CD1 4.03Å; L360-F362 HydrophobicContact CD2-CD1 4.19Å; L360-F362 HydrophobicContact CD2-CD2 4.45Å; L360-F362 HydrophobicContact CD2-CE1 3.96Å; L360-F362 HydrophobicContact CD2-CE2 4.23Å; L360-F362 HydrophobicContact CD2-CG 4.44Å; L360-F362 HydrophobicContact CD2-CZ 3.97Å; F362-K364 PolarHBondContact O-N 2.99Å; F362-C380 HydrophobicContact CD2-CB 4.4Å; F362-C380 PolarHBondContact N-O 3.25Å; F362-I382 HydrophobicContact CE2-CG1 4.49Å; F362-I382 HydrophobicContact CE2-CG2 3.97Å; F362-I382 HydrophobicContact CZ-CD1 4.36Å; F362-I382 HydrophobicContact CZ-CG2 4.45Å
363V98.6Very high96Very high22 Ų2247.4 Ų47.413%0.13323%0.228CC..SBendtrans66.6-39.3170.2-1710000114.9T272 H275 I276 N297 A298T272-V363 HydrophobicContact CG2-CB 4.03Å; T272-V363 HydrophobicContact CG2-CG2 4.28Å; H275-V363 HydrophobicContact CB-CG1 3.98Å; H275-V363 HydrophobicContact CB-CG2 3.81Å; I276-V363 HydrophobicContact CG1-CG2 4.44Å; N297-V363 HydrophobicContact CB-CB 4.36Å; N297-V363 HydrophobicContact CB-CG1 4.17Å; N297-V363 HydrophobicContact CB-CG2 4.02Å; A298-V363 WeakPolarHBondContact O-CA 3.35Å; A298-V363 PolarHBondContact O-N 3.13Å
364K97.9Very high96Very high90 Ų9049 Ų4939%0.39124%0.235SC..  trans-119.5118.9-175.1-59.2-58.1-176.8-1750110.6T272 S361 F362 P379T272-K364 HydrophobicContact CG2-CG 4.36Å; S361-K364 WeakPolarHBondContact CB-O 3.39Å; S361-K364 PolarHBondContact OG-O 3.34Å; F362-K364 PolarHBondContact O-N 2.99Å; K364-P379 HydrophobicContact CG-CG 4.3Å
365G97Very high96Very high6 Ų645.1 Ų45.16%0.06222%0.218CC..  trans-78.5170.8175.600000114F300F300-G365 VanDerWaalsContact CD1-CA 3.46Å; F300-G365 VanDerWaalsContact CD2-CA 3.46Å; F300-G365 VanDerWaalsContact CD2-N 3.33Å
366W98.1Very high96.1Very high6 Ų647 Ų472%0.02323%0.231CC..  trans-142.6169.2172.277.899.7000110.3F300 Q302 V317 R359 S361 Y370 R372 V375 T378F300-W366 HydrophobicContact CB-CE3 4.18Å; F300-W366 HydrophobicContact CB-CZ3 3.77Å; F300-W366 WeakPolarHBondContact O-CZ3 3.32Å; Q302-W366 HydrophobicContact CB-CH2 4.19Å; Q302-W366 HydrophobicContact CB-CZ2 3.57Å; V317-W366 WeakPolarHBondContact CB-O 3.06Å; V317-W366 HydrophobicContact CG1-CD2 4.18Å; V317-W366 HydrophobicContact CG1-CE3 4.06Å; V317-W366 HydrophobicContact CG1-CH2 4.06Å; V317-W366 HydrophobicContact CG1-CZ2 4.19Å; V317-W366 HydrophobicContact CG1-CZ3 3.98Å; V317-W366 HydrophobicContact CG2-CD2 4.05Å; V317-W366 HydrophobicContact CG2-CG 4.31Å; V317-W366 HydrophobicContact CG2-CZ2 3.96Å; V317-W366 VanDerWaalsContact CG2-O 3.3Å; V317-W366 WeakPolarHBondContact CG2-O 3.46Å; R359-W366 HydrophobicContact CB-CH2 4.22Å; R359-W366 HydrophobicContact CB-CZ2 4.07Å; S361-W366 WeakPolarHBondContact OG-CZ3 3.36Å; W366-Y370 VanDerWaalsContact C-CD2 3.48Å; W366-Y370 VanDerWaalsContact O-CD2 3.24Å; W366-Y370 WeakPolarHBondContact O-CD2 3.49Å; W366-R372 CarbonylContact C-O 3.49Å; W366-R372 WeakPolarHBondContact CA-O 3.13Å; W366-R372 HydrophobicContact CB-CB 3.97Å; W366-R372 VanDerWaalsContact CB-O 3.25Å; W366-R372 WeakPolarHBondContact CB-O 3.49Å; W366-V375 HydrophobicContact CD2-CB 4.13Å; W366-V375 HydrophobicContact CD2-CG2 4.09Å; W366-V375 HydrophobicContact CE3-CG2 4.22Å; W366-V375 HydrophobicContact CG-CB 4.41Å; W366-V375 HydrophobicContact CH2-CG2 4.02Å; W366-V375 HydrophobicContact CZ2-CB 4.1Å; W366-V375 HydrophobicContact CZ2-CG2 3.84Å; W366-V375 HydrophobicContact CZ3-CG2 4.2Å; W366-T378 HydrophobicContact CB-CG2 3.77Å; W366-T378 HydrophobicContact CD2-CG2 4.27Å; W366-T378 HydrophobicContact CE3-CG2 3.95Å; W366-T378 HydrophobicContact CG-CG2 4.24Å
367G94.8Very high96Very high10 Ų1049.3 Ų49.310%0.10325%0.247CC..SBendtrans110.5-170.1-178.800000112.6E369 Y370 R372 Q373G367-E369 VanDerWaalsContact C-N 3.28Å; G367-E369 PolarHBondContact O-N 2.87Å; G367-Y370 PolarHBondContact O-N 2.97Å; G367-R372 PolarHBondContact N-O 2.86Å; G367-Q373 PolarHBondContact O-NE2 3.3Å
368A88.6Confident96Very high47 Ų4747.9 Ų47.939%0.38824%0.238SC..THydrogen-bonded Turntrans-51.8-38.7-164.900000115.2P149P149-A368 WeakPolarHBondContact O-CB 3.4Å
369E87.8Confident96Very high107 Ų10747.9 Ų47.950%0.524%0.238SC..THydrogen-bonded Turntrans-90.50.2-177.3-56.5-178.7168.600114.3N151 G367N151-E369 HydrophobicContact CB-CB 4.45Å; N151-E369 HydrophobicContact CB-CG 4.22Å; N151-E369 PolarHBondContact ND2-N 2.86Å; N151-E369 VanDerWaalsContact ND2-N 3.17Å; G367-E369 VanDerWaalsContact C-N 3.28Å; G367-E369 PolarHBondContact O-N 2.87Å
370Y91.1Very high96Very high66 Ų6643.8 Ų43.826%0.25922%0.223SC..SBendtrans-112.8150.8-178.1-63.6-70.1000111N151 F300 W366 G367 R372 Q373N151-Y370 HydrophobicContact CB-CE2 4.26Å; N151-Y370 WeakPolarHBondContact ND2-CD2 3.43Å; N151-Y370 WeakPolarHBondContact ND2-CE2 3.41Å; F300-Y370 HydrophobicContact CD1-CE2 4.32Å; F300-Y370 HydrophobicContact CE1-CE1 4.39Å; F300-Y370 HydrophobicContact CE1-CE2 4.27Å; F300-Y370 AromaticContact CE1-CZ 3.75Å; F300-Y370 WeakPolarHBondContact CE1-OH 3.4Å; W366-Y370 VanDerWaalsContact C-CD2 3.48Å; W366-Y370 VanDerWaalsContact O-CD2 3.24Å; W366-Y370 WeakPolarHBondContact O-CD2 3.49Å; G367-Y370 PolarHBondContact O-N 2.97Å; Y370-R372 PolarHBondContact O-N 3.42Å; Y370-R372 VanDerWaalsContact O-N 3.09Å; Y370-Q373 PolarHBondContact O-NE2 3.5Å
371H90.9Very high96Very high182 Ų18244.1 Ų44.184%0.84322%0.224SC*.SBendtrans-55.2-30.1170.3179.9-70.2000112.1
372R94.8Very high96Very high75 Ų7544.1 Ų44.128%0.28322%0.224SC..  trans-87.4111.2178.4-62.1178.5-173.8-53.5-11.5108.1W366 G367 Y370 S377W366-R372 CarbonylContact C-O 3.49Å; W366-R372 WeakPolarHBondContact CA-O 3.13Å; W366-R372 HydrophobicContact CB-CB 3.97Å; W366-R372 VanDerWaalsContact CB-O 3.25Å; W366-R372 WeakPolarHBondContact CB-O 3.49Å; G367-R372 PolarHBondContact N-O 2.86Å; Y370-R372 PolarHBondContact O-N 3.42Å; Y370-R372 VanDerWaalsContact O-N 3.09Å; R372-S377 VanDerWaalsContact CD-O 3.25Å; R372-S377 WeakPolarHBondContact CD-O 3.25Å; R372-S377 PolarHBondContact NH1-O 2.87Å
373Q94.6Very high96Very high121 Ų12145 Ų4557%0.56523%0.228SC*.  trans-86.7-30.2-179.3-64.7-61.1-37.900112.3G367 Y370G367-Q373 PolarHBondContact O-NE2 3.3Å; Y370-Q373 PolarHBondContact O-NE2 3.5Å
374D96.5Very high96Very high75 Ų7544.1 Ų44.140%0.40122%0.223SC..SBendtrans-113.1149.6-179.8-166.1-84.7000112T376 S377D374-T376 PolarHBondContact O-N 3.08Å; D374-T376 VanDerWaalsContact OD1-CB 3.28Å; D374-T376 WeakPolarHBondContact OD1-CB 3.34Å; D374-T376 VanDerWaalsContact OD1-CG2 3.3Å; D374-T376 WeakPolarHBondContact OD1-CG2 3.46Å; D374-T376 PolarHBondContact OD1-N 2.78Å; D374-T376 PolarHBondContact OD1-OG1 3.26Å; D374-S377 VanDerWaalsContact O-CB 3.29Å; D374-S377 WeakPolarHBondContact O-CB 3.46Å; D374-S377 PolarHBondContact O-N 2.71Å
375V97.7Very high96.1Very high3 Ų342.3 Ų42.32%0.01822%0.216CC..G310 helixtrans-60.5-33.4177.774.20000111.7R359 W366 S377 T378 W381R359-V375 HydrophobicContact CB-CG2 4.36Å; W366-V375 HydrophobicContact CD2-CB 4.13Å; W366-V375 HydrophobicContact CD2-CG2 4.09Å; W366-V375 HydrophobicContact CE3-CG2 4.22Å; W366-V375 HydrophobicContact CG-CB 4.41Å; W366-V375 HydrophobicContact CH2-CG2 4.02Å; W366-V375 HydrophobicContact CZ2-CB 4.1Å; W366-V375 HydrophobicContact CZ2-CG2 3.84Å; W366-V375 HydrophobicContact CZ3-CG2 4.2Å; V375-S377 PolarHBondContact O-N 2.76Å; V375-S377 VanDerWaalsContact O-N 3.16Å; V375-T378 VanDerWaalsContact O-CB 3.3Å; V375-T378 WeakPolarHBondContact O-CB 3.27Å; V375-T378 WeakPolarHBondContact O-CG2 3.46Å; V375-T378 PolarHBondContact O-N 3.07Å; V375-T378 PolarHBondContact O-OG1 3.13Å; V375-W381 HydrophobicContact CB-CD2 4.49Å; V375-W381 HydrophobicContact CG1-CD2 4.29Å; V375-W381 HydrophobicContact CG1-CE3 4.16Å; V375-W381 HydrophobicContact CG1-CH2 3.91Å; V375-W381 HydrophobicContact CG1-CZ2 4.01Å; V375-W381 HydrophobicContact CG1-CZ3 3.96Å; V375-W381 HydrophobicContact CG2-CB 4.11Å; V375-W381 HydrophobicContact CG2-CD2 3.53Å; V375-W381 HydrophobicContact CG2-CE3 3.54Å; V375-W381 HydrophobicContact CG2-CG 3.8Å; V375-W381 HydrophobicContact CG2-CZ3 4.17Å; V375-W381 PolarHBondContact O-NE1 2.82Å
376T98.1Very high96.1Very high57 Ų5742.2 Ų42.235%0.3521%0.214SC..G310 helixtrans-68.4-11.8177.761.90000113L225 N226 D374 T378 W381L225-T376 CarbonylContact C-O 3.53Å; L225-T376 WeakPolarHBondContact CA-O 3.27Å; N226-T376 PolarHBondContact N-O 2.82Å; D374-T376 PolarHBondContact O-N 3.08Å; D374-T376 VanDerWaalsContact OD1-CB 3.28Å; D374-T376 WeakPolarHBondContact OD1-CB 3.34Å; D374-T376 VanDerWaalsContact OD1-CG2 3.3Å; D374-T376 WeakPolarHBondContact OD1-CG2 3.46Å; D374-T376 PolarHBondContact OD1-N 2.78Å; D374-T376 PolarHBondContact OD1-OG1 3.26Å; T376-T378 VanDerWaalsContact C-N 3.34Å; T376-W381 HydrophobicContact CG2-CZ2 4.16Å
377S97.6Very high96.2Very high48 Ų4844 Ų4434%0.33622%0.222SC..G310 helixtrans-86.2-6.6169.4-61.80000112.7R372 D374 V375R372-S377 VanDerWaalsContact CD-O 3.25Å; R372-S377 WeakPolarHBondContact CD-O 3.25Å; R372-S377 PolarHBondContact NH1-O 2.87Å; D374-S377 VanDerWaalsContact O-CB 3.29Å; D374-S377 WeakPolarHBondContact O-CB 3.46Å; D374-S377 PolarHBondContact O-N 2.71Å; V375-S377 PolarHBondContact O-N 2.76Å; V375-S377 VanDerWaalsContact O-N 3.16Å
378T98.4Very high96.3Very high0 Ų043.6 Ų43.60%022%0.218CC..SBendtrans-83139.4178.171.10000110.9L225 W366 V375 T376 C380 W381L225-T378 WeakPolarHBondContact CA-O 3.38Å; L225-T378 PolarHBondContact N-O 3.34Å; W366-T378 HydrophobicContact CB-CG2 3.77Å; W366-T378 HydrophobicContact CD2-CG2 4.27Å; W366-T378 HydrophobicContact CE3-CG2 3.95Å; W366-T378 HydrophobicContact CG-CG2 4.24Å; V375-T378 VanDerWaalsContact O-CB 3.3Å; V375-T378 WeakPolarHBondContact O-CB 3.27Å; V375-T378 WeakPolarHBondContact O-CG2 3.46Å; V375-T378 PolarHBondContact O-N 3.07Å; V375-T378 PolarHBondContact O-OG1 3.13Å; T376-T378 VanDerWaalsContact C-N 3.34Å; T378-C380 VanDerWaalsContact C-N 3.31Å; T378-C380 PolarHBondContact O-N 2.99Å; T378-W381 WeakPolarHBondContact OG1-CB 3.39Å
379P98.5Very high96.7Very high1 Ų141.7 Ų41.71%0.00620%0.202CC..SBendtrans-68.4-29.3-172.5-2033.1000114E224 T268 I269 T272 K364E224-P379 VanDerWaalsContact CA-O 3.28Å; E224-P379 WeakPolarHBondContact CA-O 3.41Å; T268-P379 HydrophobicContact CG2-CB 4.41Å; T268-P379 HydrophobicContact CG2-CG 3.86Å; I269-P379 HydrophobicContact CB-CB 4.46Å; I269-P379 HydrophobicContact CG1-CB 4.02Å; T272-P379 HydrophobicContact CG2-CB 4.06Å; T272-P379 HydrophobicContact CG2-CG 4.39Å; T272-P379 WeakPolarHBondContact OG1-CB 3.41Å; T272-P379 WeakPolarHBondContact OG1-CG 3.42Å; K364-P379 HydrophobicContact CG-CG 4.3Å
380C98.8Very high97.2Very high0 Ų038.7 Ų38.70%019%0.189CC..SBendtrans-146.7117.7-178-56.60000109.5Y222 Y223 T272 R273 I276 F362 T378Y222-C380 HydrophobicContact CE2-CB 4.02Å; Y222-C380 PolarHBondContact OH-SG 3.32Å; Y222-C380 VanDerWaalsContact OH-SG 3.34Å; Y223-C380 WeakPolarHBondContact O-CA 3.19Å; T272-C380 HydrophobicContact CG2-CB 3.98Å; R273-C380 VanDerWaalsContact CG-SG 3.54Å; I276-C380 HydrophobicContact CD1-CB 4.14Å; F362-C380 HydrophobicContact CD2-CB 4.4Å; F362-C380 PolarHBondContact N-O 3.25Å; T378-C380 VanDerWaalsContact C-N 3.31Å; T378-C380 PolarHBondContact O-N 2.99Å
381W98.8Very high97.5Very high8 Ų839 Ų393%0.0319%0.193CC..EExtended strand (participates in β ladder)trans-150.3164.2178.766.1-79000112.1Y222 Y223 L225 R359 L360 V375 T376 T378 E383Y222-W381 VanDerWaalsContact CD2-O 3.23Å; Y222-W381 WeakPolarHBondContact CD2-O 3.49Å; Y223-W381 VanDerWaalsContact CB-NE1 3.25Å; Y223-W381 HydrophobicContact CD1-CH2 4.28Å; Y223-W381 AromaticContact CD1-CZ2 3.79Å; Y223-W381 HydrophobicContact CD1-CZ2 3.79Å; Y223-W381 HydrophobicContact CD2-CD2 4.16Å; Y223-W381 AromaticContact CD2-CE2 3.97Å; Y223-W381 HydrophobicContact CD2-CE3 4.12Å; Y223-W381 AromaticContact CD2-CH2 3.67Å; Y223-W381 HydrophobicContact CD2-CH2 3.67Å; Y223-W381 AromaticContact CD2-CZ2 3.72Å; Y223-W381 HydrophobicContact CD2-CZ2 3.72Å; Y223-W381 AromaticContact CD2-CZ3 3.9Å; Y223-W381 HydrophobicContact CD2-CZ3 3.9Å; Y223-W381 HydrophobicContact CE1-CH2 4.43Å; Y223-W381 HydrophobicContact CE1-CZ2 4.32Å; Y223-W381 AromaticContact CE2-CH2 3.83Å; Y223-W381 HydrophobicContact CE2-CH2 3.83Å; Y223-W381 HydrophobicContact CE2-CZ2 4.25Å; Y223-W381 HydrophobicContact CE2-CZ3 4.13Å; Y223-W381 HydrophobicContact CG-CD2 4.24Å; Y223-W381 AromaticContact CG-CE2 3.65Å; Y223-W381 AromaticContact CG-CH2 3.91Å; Y223-W381 HydrophobicContact CG-CH2 3.91Å; Y223-W381 AromaticContact CG-CZ2 3.46Å; Y223-W381 HydrophobicContact CG-CZ2 3.46Å; Y223-W381 VanDerWaalsContact CG-CZ2 3.46Å; Y223-W381 HydrophobicContact CG-CZ3 4.48Å; Y223-W381 PolarHBondContact N-O 3.15Å; Y223-W381 PolarHBondContact O-N 3.43Å; L225-W381 PolarHBondContact O-NE1 2.93Å; R359-W381 HydrophobicContact CG-CZ3 4.12Å; L360-W381 CarbonylContact O-C 3.58Å; L360-W381 WeakPolarHBondContact O-CA 3.42Å; L360-W381 VanDerWaalsContact O-CB 3.27Å; L360-W381 WeakPolarHBondContact O-CB 3.3Å; V375-W381 HydrophobicContact CB-CD2 4.49Å; V375-W381 HydrophobicContact CG1-CD2 4.29Å; V375-W381 HydrophobicContact CG1-CE3 4.16Å; V375-W381 HydrophobicContact CG1-CH2 3.91Å; V375-W381 HydrophobicContact CG1-CZ2 4.01Å; V375-W381 HydrophobicContact CG1-CZ3 3.96Å; V375-W381 HydrophobicContact CG2-CB 4.11Å; V375-W381 HydrophobicContact CG2-CD2 3.53Å; V375-W381 HydrophobicContact CG2-CE3 3.54Å; V375-W381 HydrophobicContact CG2-CG 3.8Å; V375-W381 HydrophobicContact CG2-CZ3 4.17Å; V375-W381 PolarHBondContact O-NE1 2.82Å; T376-W381 HydrophobicContact CG2-CZ2 4.16Å; T378-W381 WeakPolarHBondContact OG1-CB 3.39Å; W381-E383 HydrophobicContact CZ3-CB 3.8Å; W381-E383 HydrophobicContact CZ3-CG 4.36Å
382I98.9Very high97.8Very high1 Ų130.5 Ų30.51%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-125149.1175.559.2174.6000110.8I220 A221 Y222 I242 L360 F362 V384I220-I382 HydrophobicContact CG2-CB 3.89Å; I220-I382 HydrophobicContact CG2-CD1 4.03Å; I220-I382 HydrophobicContact CG2-CG1 4.49Å; I220-I382 HydrophobicContact CG2-CG2 4.03Å; A221-I382 CarbonylContact O-C 3.59Å; A221-I382 WeakPolarHBondContact O-CA 3.47Å; A221-I382 WeakPolarHBondContact O-CB 3.33Å; Y222-I382 HydrophobicContact CD2-CG2 3.9Å; I242-I382 HydrophobicContact CD1-CD1 4.48Å; L360-I382 HydrophobicContact CB-CD1 4.29Å; L360-I382 HydrophobicContact CB-CG1 3.8Å; L360-I382 HydrophobicContact CD1-CD1 4.46Å; L360-I382 HydrophobicContact CD2-CD1 4.2Å; L360-I382 HydrophobicContact CD2-CG1 4.05Å; L360-I382 HydrophobicContact CG-CG1 4.41Å; L360-I382 PolarHBondContact N-O 2.99Å; L360-I382 PolarHBondContact O-N 2.67Å; F362-I382 HydrophobicContact CE2-CG1 4.49Å; F362-I382 HydrophobicContact CE2-CG2 3.97Å; F362-I382 HydrophobicContact CZ-CD1 4.36Å; F362-I382 HydrophobicContact CZ-CG2 4.45Å; I382-V384 HydrophobicContact CD1-CG2 4.19Å; I382-V384 HydrophobicContact CG1-CG2 4.5Å
383E98.8Very high97.9Very high19 Ų1927.1 Ų27.19%0.08914%0.141CC..EExtended strand (participates in β ladder)trans-112.6127.4167.8-162163.958.800108.9I220 A221 Y223 T357 R359 W381 H385I220-E383 WeakPolarHBondContact CA-O 3.33Å; A221-E383 PolarHBondContact N-O 3Å; A221-E383 PolarHBondContact O-N 3.05Å; Y223-E383 HydrophobicContact CE2-CB 3.84Å; T357-E383 HydrophobicContact CG2-CG 3.64Å; R359-E383 HydrophobicContact CG-CG 4.28Å; R359-E383 IonicContact CZ-OE2 3.76Å; R359-E383 IonicContact NE-OE2 3.38Å; R359-E383 PolarHBondContact NE-OE2 3.17Å; R359-E383 IonicContact NH2-OE2 2.63Å; R359-E383 PolarHBondContact NH2-OE2 3.27Å; R359-E383 VanDerWaalsContact NH2-OE2 3.16Å; W381-E383 HydrophobicContact CZ3-CB 3.8Å; W381-E383 HydrophobicContact CZ3-CG 4.36Å; E383-H385 IonicContact OE1-CE1 3.16Å; E383-H385 IonicContact OE1-NE2 3.53Å
384V98.9Very high98Very high4 Ų425.9 Ų25.92%0.02414%0.138CC..EExtended strand (participates in β ladder)trans-111.8123.9-179.7-174.70000108.5C218 S219 I220 L282 T357 I358 I382 L386C218-V384 HydrophobicContact CB-CG1 3.79Å; S219-V384 CarbonylContact O-C 3.52Å; S219-V384 WeakPolarHBondContact O-CA 3.34Å; I220-V384 HydrophobicContact CG1-CG1 4.34Å; I220-V384 HydrophobicContact CG1-CG2 4.19Å; I220-V384 HydrophobicContact CG2-CG2 4.48Å; L282-V384 HydrophobicContact CD1-CG2 4Å; T357-V384 WeakPolarHBondContact CA-O 3.47Å; I358-V384 HydrophobicContact CB-CB 4.26Å; I358-V384 PolarHBondContact N-O 3.27Å; I358-V384 PolarHBondContact O-N 3.31Å; I382-V384 HydrophobicContact CD1-CG2 4.19Å; I382-V384 HydrophobicContact CG1-CG2 4.5Å; V384-L386 HydrophobicContact CG1-CD2 4.14Å
385H98.7Very high97.9Very high52 Ų5224.7 Ų24.724%0.24113%0.129CC..EExtended strand (participates in β ladder)trans-107.3120174.5-66.1118.8000110C218 S219 T357 E383 H387 L390C218-H385 CarbonylContact C-O 3.36Å; C218-H385 WeakPolarHBondContact CA-O 3.39Å; C218-H385 WeakPolarHBondContact CB-O 3.5Å; S219-H385 PolarHBondContact N-O 3.41Å; S219-H385 PolarHBondContact O-N 2.93Å; T357-H385 PolarHBondContact OG1-CD2 2.86Å; E383-H385 IonicContact OE1-CE1 3.16Å; E383-H385 IonicContact OE1-NE2 3.53Å; H385-H387 PolarHBondContact O-CD2 3.06Å; H385-L390 HydrophobicContact CB-CD1 4.06Å
386L98.7Very high97.8Very high4 Ų424.6 Ų24.62%0.02113%0.128CC..EExtended strand (participates in β ladder)trans-86.2111.2-178.1-57.8179.7000110.8W217 C218 V289 F329 C356 I358 V384 P389 L390W217-L386 HydrophobicContact CE3-CD2 4.15Å; W217-L386 HydrophobicContact CZ3-CD2 3.96Å; C218-L386 HydrophobicContact CB-CD2 4.08Å; V289-L386 HydrophobicContact CG2-CD1 4.46Å; V289-L386 HydrophobicContact CG2-CD2 4.02Å; F329-L386 HydrophobicContact CB-CD1 3.93Å; F329-L386 HydrophobicContact CD1-CD1 3.65Å; F329-L386 HydrophobicContact CD2-CD1 3.33Å; F329-L386 HydrophobicContact CE1-CD1 3.91Å; F329-L386 HydrophobicContact CE2-CD1 3.63Å; F329-L386 HydrophobicContact CG-CD1 3.35Å; F329-L386 HydrophobicContact CZ-CD1 3.92Å; C356-L386 PolarHBondContact O-N 3.29Å; I358-L386 HydrophobicContact CD1-CD1 4.01Å; I358-L386 HydrophobicContact CD1-CG 4.43Å; V384-L386 HydrophobicContact CG1-CD2 4.14Å; L386-P389 HydrophobicContact CB-CG 4.01Å; L386-L390 WeakPolarHBondContact O-CB 3.36Å; L386-L390 WeakPolarHBondContact O-CD1 3.42Å; L386-L390 WeakPolarHBondContact O-CG 3.3Å; L386-L390 PolarHBondContact O-N 3.48Å
387H98.4Very high97.6Very high45 Ų4522.6 Ų22.621%0.20812%0.116CC..Hα-helixtrans-72.1-40.3-169-68.2179.3000113P214 F216 W217 S219 H385 L390 Q391P214-H387 HydrophobicContact CB-CB 4.01Å; P214-H387 HydrophobicContact CG-CB 4.16Å; F216-H387 VanDerWaalsContact O-CB 3.27Å; F216-H387 WeakPolarHBondContact O-CB 3.42Å; F216-H387 PolarHBondContact O-ND1 2.87Å; F216-H387 VanDerWaalsContact O-ND1 3.11Å; W217-H387 PolarHBondContact O-N 3.25Å; S219-H387 VanDerWaalsContact CB-NE2 3.34Å; S219-H387 WeakPolarHBondContact CB-NE2 3.36Å; S219-H387 PolarHBondContact N-NE2 3.19Å; S219-H387 VanDerWaalsContact N-NE2 3.18Å; S219-H387 PolarHBondContact OG-NE2 3.17Å; H385-H387 PolarHBondContact O-CD2 3.06Å; H387-L390 PolarHBondContact O-N 3.33Å; H387-Q391 VanDerWaalsContact O-CB 3.25Å; H387-Q391 WeakPolarHBondContact O-CB 3.43Å; H387-Q391 PolarHBondContact O-N 3.28Å
388G96.9Very high97.3Very high1 Ų125 Ų251%0.0113%0.129CC..Hα-helixtrans-59.5-57.5-179.700000112L390 Q391 W392G388-L390 VanDerWaalsContact C-N 3.34Å; G388-L390 PolarHBondContact O-N 2.84Å; G388-Q391 PolarHBondContact O-N 3.13Å; G388-W392 PolarHBondContact O-N 2.93Å
389P97.9Very high96.8Very high7 Ų729.1 Ų29.15%0.04515%0.148CC..Hα-helixtrans-55.5-43.7174.4-28.836.5000113.6F329 F334 C356 L386 W392 L393F329-P389 HydrophobicContact CE1-CG 3.56Å; F329-P389 HydrophobicContact CE2-CG 4.42Å; F329-P389 HydrophobicContact CZ-CB 3.9Å; F329-P389 HydrophobicContact CZ-CG 3.39Å; F334-P389 HydrophobicContact CD1-CB 3.88Å; F334-P389 HydrophobicContact CE1-CB 3.67Å; F334-P389 HydrophobicContact CE2-CB 4.4Å; F334-P389 HydrophobicContact CG-CB 4.33Å; F334-P389 HydrophobicContact CZ-CB 3.95Å; C356-P389 HydrophobicContact CB-CB 4.34Å; L386-P389 HydrophobicContact CB-CG 4.01Å; P389-W392 PolarHBondContact O-N 3.49Å; P389-L393 VanDerWaalsContact O-CB 3.31Å; P389-L393 WeakPolarHBondContact O-CB 3.38Å; P389-L393 PolarHBondContact O-N 3.32Å
390L98.1Very high96.3Very high44 Ų4430 Ų3023%0.2315%0.152CC..Hα-helixtrans-61.4-46.7176.9-77.3168.8000112.2T353 C356 H385 L386 H387 G388 W392 L393 D394T353-L390 HydrophobicContact CG2-CD2 3.86Å; C356-L390 HydrophobicContact CB-CD1 4.34Å; C356-L390 HydrophobicContact CB-CD2 3.63Å; C356-L390 HydrophobicContact CB-CG 3.56Å; H385-L390 HydrophobicContact CB-CD1 4.06Å; L386-L390 WeakPolarHBondContact O-CB 3.36Å; L386-L390 WeakPolarHBondContact O-CD1 3.42Å; L386-L390 WeakPolarHBondContact O-CG 3.3Å; L386-L390 PolarHBondContact O-N 3.48Å; H387-L390 PolarHBondContact O-N 3.33Å; G388-L390 VanDerWaalsContact C-N 3.34Å; G388-L390 PolarHBondContact O-N 2.84Å; L390-W392 VanDerWaalsContact C-N 3.31Å; L390-W392 PolarHBondContact O-N 3.33Å; L390-L393 PolarHBondContact O-N 2.88Å; L390-D394 VanDerWaalsContact O-CB 3.31Å; L390-D394 WeakPolarHBondContact O-CB 3.39Å; L390-D394 PolarHBondContact O-N 2.86Å
391Q97.7Very high95.5Very high73 Ų7331.6 Ų31.634%0.34117%0.169SC..Hα-helixtrans-65.5-36.9179.6-171.9-174.213.800111.5H387 G388 K395H387-Q391 VanDerWaalsContact O-CB 3.25Å; H387-Q391 WeakPolarHBondContact O-CB 3.43Å; H387-Q391 PolarHBondContact O-N 3.28Å; G388-Q391 PolarHBondContact O-N 3.13Å; Q391-K395 VanDerWaalsContact O-CG 3.31Å; Q391-K395 WeakPolarHBondContact O-CG 3.49Å; Q391-K395 PolarHBondContact O-N 2.84Å; Q391-K395 VanDerWaalsContact O-N 3.08Å
392W97.4Very high94.1Very high2 Ų236.4 Ų36.41%0.00820%0.203CC..Hα-helixtrans-67.2-45.6176.9-167.512.5000111.5L116 V119 V209 Y211 F334 A335 L338 G388 P389 L390 K395 V396L116-W392 HydrophobicContact CB-CH2 4.07Å; L116-W392 HydrophobicContact CD1-CH2 4.37Å; L116-W392 HydrophobicContact CD1-CZ3 3.99Å; V119-W392 HydrophobicContact CB-CZ2 4.37Å; V119-W392 HydrophobicContact CG2-CH2 4.22Å; V119-W392 HydrophobicContact CG2-CZ2 3.53Å; V209-W392 PolarHBondContact O-NE1 3.44Å; Y211-W392 HydrophobicContact CD2-CB 4.01Å; Y211-W392 AromaticContact CD2-CD2 3.85Å; Y211-W392 HydrophobicContact CD2-CD2 3.85Å; Y211-W392 AromaticContact CD2-CE3 3.48Å; Y211-W392 HydrophobicContact CD2-CE3 3.48Å; Y211-W392 VanDerWaalsContact CD2-CE3 3.48Å; Y211-W392 HydrophobicContact CD2-CG 4.12Å; Y211-W392 HydrophobicContact CD2-CZ3 4.09Å; Y211-W392 HydrophobicContact CE2-CE3 4.44Å; Y211-W392 HydrophobicContact CG-CD2 4.34Å; Y211-W392 HydrophobicContact CG-CE3 4.09Å; Y211-W392 HydrophobicContact CG-CZ3 4.37Å; F334-W392 HydrophobicContact CD1-CE3 4.4Å; F334-W392 HydrophobicContact CE1-CE3 4.46Å; A335-W392 HydrophobicContact CB-CH2 3.48Å; A335-W392 VanDerWaalsContact CB-CH2 3.48Å; A335-W392 HydrophobicContact CB-CZ3 3.47Å; A335-W392 VanDerWaalsContact CB-CZ3 3.47Å; L338-W392 HydrophobicContact CD2-CD2 3.81Å; L338-W392 HydrophobicContact CD2-CE3 4.12Å; L338-W392 HydrophobicContact CD2-CG 3.98Å; G388-W392 PolarHBondContact O-N 2.93Å; P389-W392 PolarHBondContact O-N 3.49Å; L390-W392 VanDerWaalsContact C-N 3.31Å; L390-W392 PolarHBondContact O-N 3.33Å; W392-K395 PolarHBondContact O-N 2.83Å; W392-V396 WeakPolarHBondContact O-CG2 3.21Å; W392-V396 PolarHBondContact O-N 2.99Å
393L97.1Very high92.4Very high5 Ų539.5 Ų39.53%0.02622%0.224CC..Hα-helixtrans-59.3-45.9174.7-178.8153.4000111.6F334 V349 L352 P389 L390 K395 V396 L397F334-L393 HydrophobicContact CE2-CD1 4.46Å; F334-L393 HydrophobicContact CZ-CB 4.17Å; F334-L393 HydrophobicContact CZ-CD1 3.99Å; V349-L393 HydrophobicContact CG1-CG 4.19Å; V349-L393 WeakPolarHBondContact O-CD1 3.11Å; L352-L393 HydrophobicContact CB-CD1 3.62Å; P389-L393 VanDerWaalsContact O-CB 3.31Å; P389-L393 WeakPolarHBondContact O-CB 3.38Å; P389-L393 PolarHBondContact O-N 3.32Å; L390-L393 PolarHBondContact O-N 2.88Å; L393-K395 PolarHBondContact O-N 2.87Å; L393-V396 WeakPolarHBondContact O-CB 3.37Å; L393-V396 PolarHBondContact O-N 3.33Å; L393-V396 VanDerWaalsContact O-N 3.13Å; L393-L397 HydrophobicContact CD2-CD1 3.46Å; L393-L397 VanDerWaalsContact CD2-CD1 3.46Å; L393-L397 HydrophobicContact CD2-CG 4.05Å; L393-L397 WeakPolarHBondContact O-CG 3.29Å; L393-L397 PolarHBondContact O-N 3.36Å
394D95.9Very high90.6Very high95 Ų9544.2 Ų44.251%0.50826%0.257SS..Hα-helixtrans-60.7-42.2178.6-177.764.3000112.4L390 V396 L397 T398L390-D394 VanDerWaalsContact O-CB 3.31Å; L390-D394 WeakPolarHBondContact O-CB 3.39Å; L390-D394 PolarHBondContact O-N 2.86Å; D394-V396 PolarHBondContact O-N 2.93Å; D394-L397 PolarHBondContact O-N 2.89Å; D394-T398 WeakPolarHBondContact O-CB 3.41Å; D394-T398 PolarHBondContact O-N 3.42Å; D394-T398 PolarHBondContact O-OG1 3.26Å
395K95.7Very high88.5Confident50 Ų5050.2 Ų50.222%0.21729%0.289CS..Hα-helixtrans-62.6-41173.2-73.9170.7179.4170.20112.3V209 Q391 W392 L393 Q399V209-K395 HydrophobicContact CG1-CB 3.73Å; Q391-K395 VanDerWaalsContact O-CG 3.31Å; Q391-K395 WeakPolarHBondContact O-CG 3.49Å; Q391-K395 PolarHBondContact O-N 2.84Å; Q391-K395 VanDerWaalsContact O-N 3.08Å; W392-K395 PolarHBondContact O-N 2.83Å; L393-K395 PolarHBondContact O-N 2.87Å; K395-Q399 WeakPolarHBondContact O-CG 3.5Å; K395-Q399 PolarHBondContact O-N 2.74Å; K395-Q399 VanDerWaalsContact O-N 3.09Å
396V94.6Very high86.1Confident0 Ų053.4 Ų53.40%032%0.315CS..Hα-helixtrans-63.8-49.3176.6168.80000110.3V119 V121 V209 L338 V342 V349 W392 L393 D394 T398 Q399 M400V119-V396 HydrophobicContact CB-CG2 4.12Å; V119-V396 HydrophobicContact CG1-CG1 4.41Å; V119-V396 HydrophobicContact CG1-CG2 3.91Å; V121-V396 HydrophobicContact CG2-CB 4.49Å; V121-V396 HydrophobicContact CG2-CG1 3.94Å; V121-V396 HydrophobicContact CG2-CG2 4.38Å; V209-V396 HydrophobicContact CB-CG2 3.95Å; V209-V396 HydrophobicContact CG1-CG2 3.92Å; V209-V396 HydrophobicContact CG2-CG2 4.13Å; L338-V396 HydrophobicContact CD1-CB 4.42Å; L338-V396 HydrophobicContact CD1-CG1 4.23Å; L338-V396 HydrophobicContact CD1-CG2 4.47Å; L338-V396 HydrophobicContact CD2-CG2 4.12Å; L338-V396 HydrophobicContact CG-CG2 4.42Å; V342-V396 HydrophobicContact CG2-CG1 3.48Å; V342-V396 VanDerWaalsContact CG2-CG1 3.48Å; V349-V396 HydrophobicContact CG1-CG1 4.04Å; W392-V396 WeakPolarHBondContact O-CG2 3.21Å; W392-V396 PolarHBondContact O-N 2.99Å; L393-V396 WeakPolarHBondContact O-CB 3.37Å; L393-V396 PolarHBondContact O-N 3.33Å; L393-V396 VanDerWaalsContact O-N 3.13Å; D394-V396 PolarHBondContact O-N 2.93Å; V396-T398 VanDerWaalsContact C-N 3.34Å; V396-T398 PolarHBondContact O-N 2.93Å; V396-Q399 PolarHBondContact O-N 3.01Å; V396-Q399 VanDerWaalsContact O-N 3.15Å; V396-M400 HydrophobicContact CG1-CG 4.39Å; V396-M400 HydrophobicContact CG1-SD 3.89Å; V396-M400 WeakPolarHBondContact O-CG 3.46Å; V396-M400 PolarHBondContact O-N 3.25Å
397L93.5Very high83.7Confident15 Ų1560.6 Ų60.68%0.07935%0.351CS..Hα-helixtrans-58.7-44.9176.9-72.3178.6000112F346 V349 Y350 L393 D394 Q399 M400 G401F346-L397 HydrophobicContact CD1-CD2 4.29Å; F346-L397 HydrophobicContact CD2-CD2 3.77Å; F346-L397 HydrophobicContact CE1-CD2 4.18Å; F346-L397 HydrophobicContact CE2-CB 4.01Å; F346-L397 HydrophobicContact CE2-CD2 3.66Å; F346-L397 HydrophobicContact CE2-CG 4.35Å; F346-L397 HydrophobicContact CG-CD2 4.09Å; F346-L397 HydrophobicContact CZ-CB 4.38Å; F346-L397 HydrophobicContact CZ-CD1 4.44Å; F346-L397 HydrophobicContact CZ-CD2 3.87Å; F346-L397 HydrophobicContact CZ-CG 4.48Å; V349-L397 HydrophobicContact CB-CD2 3.71Å; V349-L397 HydrophobicContact CG1-CD2 3.47Å; V349-L397 VanDerWaalsContact CG1-CD2 3.47Å; V349-L397 HydrophobicContact CG1-CG 3.81Å; Y350-L397 HydrophobicContact CD2-CD1 3.99Å; L393-L397 HydrophobicContact CD2-CD1 3.46Å; L393-L397 VanDerWaalsContact CD2-CD1 3.46Å; L393-L397 HydrophobicContact CD2-CG 4.05Å; L393-L397 WeakPolarHBondContact O-CG 3.29Å; L393-L397 PolarHBondContact O-N 3.36Å; D394-L397 PolarHBondContact O-N 2.89Å; L397-Q399 VanDerWaalsContact C-N 3.25Å; L397-Q399 PolarHBondContact O-N 3.12Å; L397-M400 PolarHBondContact O-N 3.15Å; L397-M400 VanDerWaalsContact O-N 3.16Å; L397-G401 PolarHBondContact O-N 3.03Å
398T91.2Very high81.4Confident100 Ų10063.2 Ų63.261%0.61338%0.375SS*.Hα-helixtrans-58-39.7177.2-60.90000111.5D394 V396 G401D394-T398 WeakPolarHBondContact O-CB 3.41Å; D394-T398 PolarHBondContact O-N 3.42Å; D394-T398 PolarHBondContact O-OG1 3.26Å; V396-T398 VanDerWaalsContact C-N 3.34Å; V396-T398 PolarHBondContact O-N 2.93Å; T398-G401 PolarHBondContact O-N 3.33Å
399Q88.5Confident78.9Confident85 Ų8568 Ų6840%0.39741%0.409SS..Hα-helixtrans-76.5-29.6177.5-73.1-167.311.700114.1V121 V209 K395 V396 L397 G401V121-Q399 HydrophobicContact CB-CB 4.4Å; V121-Q399 HydrophobicContact CG1-CB 4.1Å; V121-Q399 HydrophobicContact CG2-CB 4.48Å; V209-Q399 HydrophobicContact CG2-CG 4.32Å; K395-Q399 WeakPolarHBondContact O-CG 3.5Å; K395-Q399 PolarHBondContact O-N 2.74Å; K395-Q399 VanDerWaalsContact O-N 3.09Å; V396-Q399 PolarHBondContact O-N 3.01Å; V396-Q399 VanDerWaalsContact O-N 3.15Å; L397-Q399 VanDerWaalsContact C-N 3.25Å; L397-Q399 PolarHBondContact O-N 3.12Å; Q399-G401 PolarHBondContact O-N 3.05Å
400M87.2Confident76.4Confident20 Ų2073.8 Ų73.810%0.09944%0.443CS..Hα-helixtrans-67.7-21173.8-71.2176.675.700112.2V121 V342 G345 F346 V349 V396 L397V121-M400 HydrophobicContact CG1-CB 4.41Å; V121-M400 HydrophobicContact CG1-CG 3.51Å; V342-M400 HydrophobicContact CG1-CE 4.48Å; V342-M400 HydrophobicContact CG1-SD 4.4Å; V342-M400 HydrophobicContact CG2-SD 4.18Å; G345-M400 VanDerWaalsContact C-CE 3.47Å; F346-M400 HydrophobicContact CD2-CB 4.43Å; V349-M400 HydrophobicContact CB-SD 4.24Å; V349-M400 HydrophobicContact CG1-SD 4.49Å; V349-M400 HydrophobicContact CG2-CE 4.11Å; V349-M400 HydrophobicContact CG2-SD 3.69Å; V396-M400 HydrophobicContact CG1-CG 4.39Å; V396-M400 HydrophobicContact CG1-SD 3.89Å; V396-M400 WeakPolarHBondContact O-CG 3.46Å; V396-M400 PolarHBondContact O-N 3.25Å; L397-M400 PolarHBondContact O-N 3.15Å; L397-M400 VanDerWaalsContact O-N 3.16Å
401G81.7Confident73.5Confident34 Ų3480.5 Ų80.535%0.35149%0.494SS..  trans77.9-178.2-175.500000112.4F346 L397 T398 Q399F346-G401 WeakPolarHBondContact CD2-O 3.41Å; F346-G401 WeakPolarHBondContact CE2-O 3.29Å; L397-G401 PolarHBondContact O-N 3.03Å; T398-G401 PolarHBondContact O-N 3.33Å; Q399-G401 PolarHBondContact O-N 3.05Å
402S70.3Confident72.3Confident108 Ų10880.9 Ų80.976%0.75550%0.501SS*.SBendtrans-65.9146.3177.9-60.50000111.1C404S402-C404 PolarHBondContact O-N 3.4Å
403P63.5Low71Confident67 Ų6785 Ų8544%0.43553%0.527SS..  trans-54.3134.7169.521.6-30.1000109.3F346 N405F346-P403 HydrophobicContact CB-CB 4.4Å; F346-P403 HydrophobicContact CD1-CB 4.34Å; F346-P403 HydrophobicContact CD1-CG 4.17Å; F346-P403 HydrophobicContact CE1-CG 4.38Å; F346-P403 HydrophobicContact CG-CB 4.38Å; P403-N405 PolarHBondContact O-N 3.39Å
404C60.3Low69.5Low118 Ų11889.4 Ų89.480%0.79756%0.555SS**SBendtrans-60.6-8.5-179.4-62.30000113.7S402 P406S402-C404 PolarHBondContact O-N 3.4Å; C404-P406 WeakPolarHBondContact O-CD 3.34Å
405N55.2Low68Low130 Ų13089.1 Ų89.170%0.69556%0.558SS**SBendtrans-89117.6178-68.8-14.2000110P403 I407P403-N405 PolarHBondContact O-N 3.39Å; N405-I407 PolarHBondContact O-N 3.15Å
406P48Very low66.3Low119 Ų11991.6 Ų91.677%0.77358%0.579SS**  trans-57.4132.816623.9-30.5000108.6C404 S408C404-P406 WeakPolarHBondContact O-CD 3.34Å; P406-S408 PolarHBondContact O-N 3.06Å
407I49.3Very low64.4Low154 Ų15497.7 Ų97.779%0.7962%0.618SS**  trans-56.7102.4175.5-59.1163.1000107.2N405 S409N405-I407 PolarHBondContact O-N 3.15Å; I407-S409 PolarHBondContact O-N 3.36Å; I407-S409 VanDerWaalsContact O-N 3.16Å
408S49.3Very low62.3Low100 Ų100103.6 Ų103.670%0.69966%0.656SS**  trans-81.892.616873.60000107.3P406 V410P406-S408 PolarHBondContact O-N 3.06Å; S408-V410 PolarHBondContact O-N 3.15Å
409S44.4Very low60.1Low103 Ų103103.8 Ų103.872%0.7266%0.66SS**  trans-6880.3163.3-22.40000107.5I407I407-S409 PolarHBondContact O-N 3.36Å; I407-S409 VanDerWaalsContact O-N 3.16Å
410V45Very low57.7Low128 Ų128105.4 Ų105.478%0.77668%0.681SS**  trans-99.694.6161.5-167.90000104.9S408S408-V410 PolarHBondContact O-N 3.15Å
411S38Very low55Low184 Ų184113.2 Ų113.2100%1.28773%0.734SS**  trans-63.60173.6-57.80000112.3

Retrieved 411 of 411 residues in 258.6 ms (Link to these results)

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