A0A087XP59_POEFO Loading...

Apoptotic protease-activating factor 1

Oligomeric Apaf-1 mediates the cytochrome c-dependent autocatalytic activation of pro-caspase-9 (Apaf-3), leading to the activation of caspase-3 and apoptosis. This activation requires ATP.

AlphaFold DB , UniProt , Accession A0A087XP59, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,260 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
1M46.3Very low68.8Low185 Ų18587.7 Ų87.791%0.91141%0.411SS*.  0139.70-70.9-178.1-157.500108.6D66M1-D66 HydrophobicContact CB-CB 3.95Å; M1-D66 WeakPolarHBondContact O-CB 3.39Å
2A50Low69.9Low90 Ų9087.2 Ų87.274%0.74441%0.412SS*.PPolyproline II helixtrans-95.1144.7175.900000110.5Q4A2-Q4 PolarHBondContact O-N 2.85Å
3L64.9Low70.9Confident19 Ų1996.5 Ų96.510%0.09944%0.441CS..PPolyproline II helixtrans-55.1129.3176.2-163.172.9000111.6E5 T7 R8 L11 L63 K65 D67 V70L3-E5 PolarHBondContact O-N 3.31Å; L3-T7 HydrophobicContact CD1-CG2 4.16Å; L3-R8 HydrophobicContact CD2-CB 3.7Å; L3-R8 HydrophobicContact CD2-CG 4.05Å; L3-R8 HydrophobicContact CG-CB 4.36Å; L3-L11 HydrophobicContact CD2-CD1 4.21Å; L3-L63 HydrophobicContact CD2-CD2 4.37Å; L3-K65 WeakPolarHBondContact CB-O 3.44Å; L3-K65 PolarHBondContact N-O 2.95Å; L3-D67 VanDerWaalsContact CD1-OD1 3.31Å; L3-D67 WeakPolarHBondContact CD1-OD1 3.19Å; L3-V70 HydrophobicContact CD1-CB 4.23Å; L3-V70 HydrophobicContact CD1-CG2 3.34Å; L3-V70 HydrophobicContact CD2-CG2 4.44Å
4Q74Confident71.5Confident100 Ų10090.7 Ų90.747%0.46742%0.415SS..PPolyproline II helixtrans-57.7138.9174.4-83.4179.613.600111A2 R6 T7 R8 D67A2-Q4 PolarHBondContact O-N 2.85Å; Q4-R6 PolarHBondContact O-N 2.98Å; Q4-R6 VanDerWaalsContact O-N 3.15Å; Q4-T7 WeakPolarHBondContact O-CB 3.46Å; Q4-T7 PolarHBondContact O-N 3.42Å; Q4-R8 PolarHBondContact O-N 3.49Å; Q4-D67 VanDerWaalsContact CG-OD2 3.31Å; Q4-D67 WeakPolarHBondContact CG-OD2 3.36Å; Q4-D67 PolarHBondContact N-OD1 2.99Å
5E70Confident72.4Confident124 Ų12489 Ų8958%0.57940%0.404SS*.Hα-helixtrans-63.4-27.7-173.1-161.4169.5160.100112.8L3 R9L3-E5 PolarHBondContact O-N 3.31Å; E5-R9 WeakPolarHBondContact O-CB 3.41Å; E5-R9 VanDerWaalsContact O-CG 3.23Å; E5-R9 WeakPolarHBondContact O-CG 3.29Å; E5-R9 PolarHBondContact O-N 2.92Å; E5-R9 IonicContact OE1-CZ 2.69Å; E5-R9 IonicContact OE1-NE 2.84Å; E5-R9 IonicContact OE1-NH2 2.91Å; E5-R9 PolarHBondContact OE1-NH2 3.19Å
6R71.6Confident73Confident165 Ų16590.6 Ų90.662%0.62341%0.412SS*.Hα-helixtrans-65.3-48.1172.9-168.9176.1179.5169.8-1.3111.8Q4 R9 S10 D92Q4-R6 PolarHBondContact O-N 2.98Å; Q4-R6 VanDerWaalsContact O-N 3.15Å; R6-R9 PolarHBondContact O-N 3.49Å; R6-S10 PolarHBondContact O-N 2.82Å; R6-D92 IonicContact CZ-OD1 3.9Å; R6-D92 IonicContact NE-OD1 3.92Å; R6-D92 PolarHBondContact NE-OD1 3.33Å; R6-D92 IonicContact NH2-OD1 3.85Å
7T71.3Confident73.5Confident4 Ų490.9 Ų90.93%0.02541%0.414CS..Hα-helixtrans-63.2-42.7175.9-38.60000111.1L3 Q4 R9 S10 L11 V70L3-T7 HydrophobicContact CD1-CG2 4.16Å; Q4-T7 WeakPolarHBondContact O-CB 3.46Å; Q4-T7 PolarHBondContact O-N 3.42Å; T7-R9 PolarHBondContact O-N 3.06Å; T7-S10 PolarHBondContact O-N 3.44Å; T7-L11 PolarHBondContact O-N 3.49Å; T7-V70 HydrophobicContact CG2-CB 4.16Å; T7-V70 HydrophobicContact CG2-CG1 3.75Å; T7-V70 HydrophobicContact CG2-CG2 4.44Å
8R78.3Confident73.9Confident108 Ų10885.9 Ų85.941%0.40839%0.391SS..Hα-helixtrans-59.3-46.6175.9-166.2-175.4176.389.53.9111.9L3 Q4 S10 L11 L12 L63L3-R8 HydrophobicContact CD2-CB 3.7Å; L3-R8 HydrophobicContact CD2-CG 4.05Å; L3-R8 HydrophobicContact CG-CB 4.36Å; Q4-R8 PolarHBondContact O-N 3.49Å; R8-S10 VanDerWaalsContact C-N 3.32Å; R8-S10 PolarHBondContact O-N 2.97Å; R8-L11 PolarHBondContact O-N 3.03Å; R8-L12 HydrophobicContact CG-CD1 4.34Å; R8-L12 WeakPolarHBondContact O-CB 3.45Å; R8-L12 WeakPolarHBondContact O-CG 3.27Å; R8-L12 PolarHBondContact O-N 3.2Å; R8-L63 HydrophobicContact CG-CD2 3.68Å; R8-L63 PolarHBondContact NH1-O 2.89Å
9R76.6Confident74.6Confident163 Ų16382.8 Ų82.862%0.61538%0.377SS*.Hα-helixtrans-64.8-35.9177.2-74.9175.6-171.7-1695.1111.9E5 R6 T7 L12 R13E5-R9 WeakPolarHBondContact O-CB 3.41Å; E5-R9 VanDerWaalsContact O-CG 3.23Å; E5-R9 WeakPolarHBondContact O-CG 3.29Å; E5-R9 PolarHBondContact O-N 2.92Å; E5-R9 IonicContact OE1-CZ 2.69Å; E5-R9 IonicContact OE1-NE 2.84Å; E5-R9 IonicContact OE1-NH2 2.91Å; E5-R9 PolarHBondContact OE1-NH2 3.19Å; R6-R9 PolarHBondContact O-N 3.49Å; T7-R9 PolarHBondContact O-N 3.06Å; R9-L12 PolarHBondContact O-N 3.46Å; R9-R13 WeakPolarHBondContact O-CB 3.5Å; R9-R13 PolarHBondContact O-N 3.35Å
10S74.8Confident75Confident7 Ų783.7 Ų83.75%0.04938%0.382CS..Hα-helixtrans-67.8-45.5177.4-161.20000112.1R6 T7 R8 L12 R13 L14 D92R6-S10 PolarHBondContact O-N 2.82Å; T7-S10 PolarHBondContact O-N 3.44Å; R8-S10 VanDerWaalsContact C-N 3.32Å; R8-S10 PolarHBondContact O-N 2.97Å; S10-L12 VanDerWaalsContact C-N 3.34Å; S10-L12 PolarHBondContact O-N 3Å; S10-R13 WeakPolarHBondContact O-CB 3.43Å; S10-R13 PolarHBondContact O-N 2.89Å; S10-L14 PolarHBondContact O-N 2.95Å; S10-D92 PolarHBondContact OG-OD2 3.14Å
11L78.9Confident75.3Confident0 Ų083.6 Ų83.60%038%0.384CS..Hα-helixtrans-60.2-41.2172.6-84.8171.6000112.6L3 T7 R8 L14 R15 L18 L63 V70 F73 L89L3-L11 HydrophobicContact CD2-CD1 4.21Å; T7-L11 PolarHBondContact O-N 3.49Å; R8-L11 PolarHBondContact O-N 3.03Å; L11-L14 PolarHBondContact O-N 3.25Å; L11-R15 WeakPolarHBondContact O-CA 3.42Å; L11-R15 WeakPolarHBondContact O-CB 3.33Å; L11-R15 PolarHBondContact O-N 3.43Å; L11-L18 HydrophobicContact CD2-CD1 3.9Å; L11-L63 HydrophobicContact CB-CD2 4.13Å; L11-L63 HydrophobicContact CD1-CD2 4.45Å; L11-V70 HydrophobicContact CD1-CB 4.45Å; L11-V70 HydrophobicContact CD1-CG1 3.95Å; L11-V70 HydrophobicContact CD1-CG2 3.58Å; L11-V70 HydrophobicContact CG-CG1 4.36Å; L11-F73 HydrophobicContact CD2-CE1 4.34Å; L11-L89 HydrophobicContact CD2-CD2 3.99Å; L11-L89 HydrophobicContact CG-CD2 4.35Å
12L82.3Confident77.2Confident81 Ų8174.9 Ų74.942%0.42434%0.341SS..Hα-helixtrans-66.4-36.9176.1-73.9170.4000112.4R8 R9 S10 R15 L63R8-L12 HydrophobicContact CG-CD1 4.34Å; R8-L12 WeakPolarHBondContact O-CB 3.45Å; R8-L12 WeakPolarHBondContact O-CG 3.27Å; R8-L12 PolarHBondContact O-N 3.2Å; R9-L12 PolarHBondContact O-N 3.46Å; S10-L12 VanDerWaalsContact C-N 3.34Å; S10-L12 PolarHBondContact O-N 3Å; L12-R15 VanDerWaalsContact O-CB 3.32Å; L12-R15 WeakPolarHBondContact O-CB 3.22Å; L12-R15 PolarHBondContact O-N 3.29Å; L12-L63 HydrophobicContact CD2-CD1 3.72Å; L12-L63 HydrophobicContact CD2-CD2 4.36Å; L12-L63 HydrophobicContact CG-CD1 4.36Å; L12-L63 HydrophobicContact CG-CD2 4.1Å
13R82.9Confident78.8Confident208 Ų20877.1 Ų77.179%0.78533%0.331SS*.Hα-helixtrans-66.3-41.2175.8-176.6-177.5178.2-174-0.3111.9R9 S10R9-R13 WeakPolarHBondContact O-CB 3.5Å; R9-R13 PolarHBondContact O-N 3.35Å; S10-R13 WeakPolarHBondContact O-CB 3.43Å; S10-R13 PolarHBondContact O-N 2.89Å
14L79.7Confident79.8Confident16 Ų1676.3 Ų76.38%0.08433%0.327CS..Hα-helixtrans-86.8-6.7-179-66.3171.2000113.2S10 L11 H16 Q17 L18 L89S10-L14 PolarHBondContact O-N 2.95Å; L11-L14 PolarHBondContact O-N 3.25Å; L14-H16 VanDerWaalsContact C-N 3.26Å; L14-H16 PolarHBondContact O-N 2.98Å; L14-H16 VanDerWaalsContact O-N 3.11Å; L14-Q17 VanDerWaalsContact CD2-OE1 3.3Å; L14-Q17 PolarHBondContact O-N 3.42Å; L14-L18 HydrophobicContact CB-CD1 3.82Å; L14-L18 HydrophobicContact CB-CG 4.09Å; L14-L18 WeakPolarHBondContact O-CG 3.22Å; L14-L18 PolarHBondContact O-N 3.45Å; L14-L89 HydrophobicContact CD1-CD2 4.03Å; L14-L89 HydrophobicContact CD1-CG 3.73Å
15R84.6Confident80.1Confident65 Ų6576.6 Ų76.625%0.24533%0.328CS..Hα-helixtrans-46.5-46.9-175.6-178.4172.2-179.2144.78.8112.9L11 L12 Q17 L18 E19 I59 D60L11-R15 WeakPolarHBondContact O-CA 3.42Å; L11-R15 WeakPolarHBondContact O-CB 3.33Å; L11-R15 PolarHBondContact O-N 3.43Å; L12-R15 VanDerWaalsContact O-CB 3.32Å; L12-R15 WeakPolarHBondContact O-CB 3.22Å; L12-R15 PolarHBondContact O-N 3.29Å; R15-Q17 VanDerWaalsContact C-N 3.33Å; R15-Q17 PolarHBondContact O-N 3.38Å; R15-L18 PolarHBondContact O-N 3.09Å; R15-E19 HydrophobicContact CG-CG 4.24Å; R15-E19 VanDerWaalsContact CG-OE1 3.23Å; R15-E19 WeakPolarHBondContact CG-OE1 3.42Å; R15-E19 IonicContact CZ-OE1 2.83Å; R15-E19 IonicContact NE-OE1 2.8Å; R15-E19 PolarHBondContact NE-OE1 3.2Å; R15-E19 IonicContact NH2-OE1 3.68Å; R15-E19 VanDerWaalsContact O-CB 3.31Å; R15-E19 WeakPolarHBondContact O-CB 3.45Å; R15-E19 WeakPolarHBondContact O-CG 3.29Å; R15-E19 PolarHBondContact O-N 3.46Å; R15-I59 HydrophobicContact CG-CG2 4.38Å; R15-D60 IonicContact CZ-OD1 3.69Å; R15-D60 IonicContact CZ-OD2 2.76Å; R15-D60 IonicContact NH1-OD1 2.86Å; R15-D60 PolarHBondContact NH1-OD1 2.87Å; R15-D60 VanDerWaalsContact NH2-CG 3.29Å; R15-D60 IonicContact NH2-OD1 3.57Å; R15-D60 PolarHBondContact NH2-OD1 3.08Å; R15-D60 IonicContact NH2-OD2 2.83Å; R15-D60 PolarHBondContact NH2-OD2 3.4Å
16H82.6Confident80.6Confident114 Ų11473.3 Ų73.353%0.52831%0.314SS..Hα-helixtrans-66.1-33.6-177.4-165.560.9000113.7L14 Q20L14-H16 VanDerWaalsContact C-N 3.26Å; L14-H16 PolarHBondContact O-N 2.98Å; L14-H16 VanDerWaalsContact O-N 3.11Å; H16-Q20 PolarHBondContact CE1-NE2 3Å; H16-Q20 PolarHBondContact NE2-NE2 3.37Å; H16-Q20 WeakPolarHBondContact O-CG 3.49Å
17Q80.1Confident81.2Confident97 Ų9765.4 Ų65.445%0.45329%0.285SS..Hα-helixtrans-77.3-43.9177.2-67.9176.2-22.300110.5L14 R15 E19 Q20 D21 L85L14-Q17 VanDerWaalsContact CD2-OE1 3.3Å; L14-Q17 PolarHBondContact O-N 3.42Å; R15-Q17 VanDerWaalsContact C-N 3.33Å; R15-Q17 PolarHBondContact O-N 3.38Å; Q17-E19 VanDerWaalsContact C-N 3.34Å; Q17-E19 PolarHBondContact O-N 2.88Å; Q17-Q20 PolarHBondContact O-N 3.37Å; Q17-D21 PolarHBondContact O-N 3.33Å; Q17-D21 VanDerWaalsContact O-N 3.11Å; Q17-L85 HydrophobicContact CB-CD2 4.16Å
18L82.2Confident81.8Confident0 Ų065.4 Ų65.40%028%0.284CS..Hα-helixtrans-61.3-40.9177.1-63.8170.1000111.7L11 L14 R15 Q20 I22 I59 F73 L85 L89L11-L18 HydrophobicContact CD2-CD1 3.9Å; L14-L18 HydrophobicContact CB-CD1 3.82Å; L14-L18 HydrophobicContact CB-CG 4.09Å; L14-L18 WeakPolarHBondContact O-CG 3.22Å; L14-L18 PolarHBondContact O-N 3.45Å; R15-L18 PolarHBondContact O-N 3.09Å; L18-Q20 VanDerWaalsContact C-N 3.29Å; L18-Q20 PolarHBondContact O-N 2.84Å; L18-I22 HydrophobicContact CB-CD1 3.87Å; L18-I22 HydrophobicContact CD2-CD1 3.52Å; L18-I22 HydrophobicContact CD2-CG1 4.44Å; L18-I22 HydrophobicContact CG-CD1 4.26Å; L18-I22 VanDerWaalsContact O-CB 3.26Å; L18-I22 WeakPolarHBondContact O-CB 3.38Å; L18-I22 WeakPolarHBondContact O-CG1 3.34Å; L18-I22 PolarHBondContact O-N 3.04Å; L18-I59 HydrophobicContact CB-CD1 3.59Å; L18-I59 HydrophobicContact CB-CG1 4.47Å; L18-I59 HydrophobicContact CD1-CD1 4.48Å; L18-F73 HydrophobicContact CD2-CE1 4.42Å; L18-L85 HydrophobicContact CD2-CB 4.4Å; L18-L85 HydrophobicContact CD2-CD1 4.4Å; L18-L85 HydrophobicContact CD2-CD2 4.29Å; L18-L89 HydrophobicContact CD2-CD1 4.16Å
19E86.2Confident82Confident27 Ų2765 Ų6513%0.12629%0.29CS..Hα-helixtrans-64.2-29177.1-78.1176.6-175.200113.7R15 Q17 K52 A56 I59R15-E19 HydrophobicContact CG-CG 4.24Å; R15-E19 VanDerWaalsContact CG-OE1 3.23Å; R15-E19 WeakPolarHBondContact CG-OE1 3.42Å; R15-E19 IonicContact CZ-OE1 2.83Å; R15-E19 IonicContact NE-OE1 2.8Å; R15-E19 PolarHBondContact NE-OE1 3.2Å; R15-E19 IonicContact NH2-OE1 3.68Å; R15-E19 VanDerWaalsContact O-CB 3.31Å; R15-E19 WeakPolarHBondContact O-CB 3.45Å; R15-E19 WeakPolarHBondContact O-CG 3.29Å; R15-E19 PolarHBondContact O-N 3.46Å; Q17-E19 VanDerWaalsContact C-N 3.34Å; Q17-E19 PolarHBondContact O-N 2.88Å; E19-K52 HydrophobicContact CB-CG 4.2Å; E19-A56 HydrophobicContact CG-CB 4.08Å; E19-I59 HydrophobicContact CG-CD1 3.82Å
20Q82.4Confident82.3Confident101 Ų10159.3 Ų59.347%0.47227%0.27SS..Hα-helixtrans-84.8-40.9-178.9-71-176.319.300112.3H16 Q17 L18H16-Q20 PolarHBondContact CE1-NE2 3Å; H16-Q20 PolarHBondContact NE2-NE2 3.37Å; H16-Q20 WeakPolarHBondContact O-CG 3.49Å; Q17-Q20 PolarHBondContact O-N 3.37Å; L18-Q20 VanDerWaalsContact C-N 3.29Å; L18-Q20 PolarHBondContact O-N 2.84Å
21D81.9Confident82.6Confident81 Ų8159 Ų5943%0.43327%0.268SS..Hα-helixtrans-101.8-19.2-162.6-67.6-21.9000114.2Q17 R51 Y82 L85Q17-D21 PolarHBondContact O-N 3.33Å; Q17-D21 VanDerWaalsContact O-N 3.11Å; D21-R51 PolarHBondContact O-NH2 3.38Å; D21-Y82 VanDerWaalsContact O-CE1 3.32Å; D21-Y82 WeakPolarHBondContact O-CE1 3.35Å; D21-Y82 PolarHBondContact O-OH 2.94Å; D21-L85 HydrophobicContact CB-CD1 3.89Å
22I85.7Confident82.9Confident2 Ų261.1 Ų61.11%0.0128%0.279CS..  trans-82.9144.3-174.3-71.1-179.1000112.7L18 P24 L27 R51 F73 L77 L85L18-I22 HydrophobicContact CB-CD1 3.87Å; L18-I22 HydrophobicContact CD2-CD1 3.52Å; L18-I22 HydrophobicContact CD2-CG1 4.44Å; L18-I22 HydrophobicContact CG-CD1 4.26Å; L18-I22 VanDerWaalsContact O-CB 3.26Å; L18-I22 WeakPolarHBondContact O-CB 3.38Å; L18-I22 WeakPolarHBondContact O-CG1 3.34Å; L18-I22 PolarHBondContact O-N 3.04Å; I22-P24 HydrophobicContact CG2-CG 4.31Å; I22-L27 HydrophobicContact CB-CD1 4.39Å; I22-L27 HydrophobicContact CD1-CD1 4.09Å; I22-L27 HydrophobicContact CG1-CD1 4.3Å; I22-L27 HydrophobicContact CG2-CD1 3.33Å; I22-L27 HydrophobicContact CG2-CG 4.31Å; I22-R51 VanDerWaalsContact C-NH2 3.27Å; I22-R51 PolarHBondContact O-NE 3.21Å; I22-R51 PolarHBondContact O-NH2 3.23Å; I22-F73 HydrophobicContact CD1-CE1 4.36Å; I22-F73 HydrophobicContact CD1-CE2 4.11Å; I22-F73 HydrophobicContact CD1-CZ 3.44Å; I22-F73 VanDerWaalsContact CD1-CZ 3.44Å; I22-L77 HydrophobicContact CD1-CD2 3.83Å; I22-L77 HydrophobicContact CG1-CD2 4.08Å; I22-L85 HydrophobicContact CG1-CD1 4.2Å
23R84.8Confident82.8Confident138 Ų13862.2 Ų62.252%0.52129%0.293SS..  trans-103.2105.2161.6-66.2-178.2-162.2176.18.2108.4Q25 D26 Y82R23-Q25 VanDerWaalsContact C-N 3.26Å; R23-Q25 PolarHBondContact O-N 3.33Å; R23-D26 WeakPolarHBondContact CB-OD2 3.49Å; R23-D26 WeakPolarHBondContact CD-OD2 3.46Å; R23-Y82 PolarHBondContact N-OH 3.41Å
24P84.7Confident82.5Confident2 Ų255.8 Ų55.81%0.01328%0.275CS..Hα-helixtrans-60.6-33.2-175.3-29.338.6000113.8I22 L27 M28 V45 Q54 A55 L58I22-P24 HydrophobicContact CG2-CG 4.31Å; P24-L27 PolarHBondContact O-N 3.34Å; P24-M28 HydrophobicContact CB-CE 3.99Å; P24-M28 WeakPolarHBondContact O-CB 3.41Å; P24-M28 WeakPolarHBondContact O-CE 3.28Å; P24-M28 WeakPolarHBondContact O-CG 3.46Å; P24-M28 PolarHBondContact O-N 3Å; P24-V45 HydrophobicContact CB-CG1 4.37Å; P24-Q54 HydrophobicContact CB-CB 4.41Å; P24-Q54 HydrophobicContact CG-CB 3.88Å; P24-A55 HydrophobicContact CG-CB 3.89Å; P24-L58 HydrophobicContact CB-CD2 3.9Å
25Q80.9Confident82.3Confident106 Ų10658.3 Ų58.350%0.49530%0.304SS..Hα-helixtrans-57.4-54-178.5-68.8175.4-13.300111.5R23 L27 M28 D29R23-Q25 VanDerWaalsContact C-N 3.26Å; R23-Q25 PolarHBondContact O-N 3.33Å; Q25-L27 VanDerWaalsContact C-N 3.27Å; Q25-L27 PolarHBondContact O-N 3.23Å; Q25-M28 PolarHBondContact O-N 3.3Å; Q25-D29 PolarHBondContact O-N 3.29Å
26D80.4Confident82.1Confident54 Ų5456.4 Ų56.429%0.28930%0.3SS..Hα-helixtrans-64.2-32.2-177.1-50.4-33.6000112R23 H30 E80R23-D26 WeakPolarHBondContact CB-OD2 3.49Å; R23-D26 WeakPolarHBondContact CD-OD2 3.46Å; D26-H30 PolarHBondContact O-CD2 3.23Å; D26-E80 HydrophobicContact CB-CG 4.24Å
27L83.9Confident82Confident0 Ų051.2 Ų51.20%028%0.276CS..Hα-helixtrans-80.2-38178.4-62.6-178.1000113.2I22 P24 Q25 D29 H30 M31 F73 A76 L77 E80 Y82I22-L27 HydrophobicContact CB-CD1 4.39Å; I22-L27 HydrophobicContact CD1-CD1 4.09Å; I22-L27 HydrophobicContact CG1-CD1 4.3Å; I22-L27 HydrophobicContact CG2-CD1 3.33Å; I22-L27 HydrophobicContact CG2-CG 4.31Å; P24-L27 PolarHBondContact O-N 3.34Å; Q25-L27 VanDerWaalsContact C-N 3.27Å; Q25-L27 PolarHBondContact O-N 3.23Å; L27-D29 VanDerWaalsContact C-N 3.29Å; L27-D29 PolarHBondContact O-N 3.29Å; L27-H30 PolarHBondContact O-N 2.98Å; L27-M31 WeakPolarHBondContact O-CG 3.3Å; L27-M31 PolarHBondContact O-N 2.76Å; L27-M31 VanDerWaalsContact O-N 3.17Å; L27-F73 HydrophobicContact CD1-CD2 4.16Å; L27-F73 HydrophobicContact CD1-CE2 3.55Å; L27-F73 HydrophobicContact CD1-CZ 4.3Å; L27-A76 HydrophobicContact CB-CB 4.33Å; L27-A76 VanDerWaalsContact CD2-C 3.47Å; L27-A76 HydrophobicContact CD2-CB 3.75Å; L27-L77 HydrophobicContact CD1-CD2 3.65Å; L27-L77 HydrophobicContact CD1-CG 4.22Å; L27-L77 HydrophobicContact CD2-CD2 4.09Å; L27-L77 HydrophobicContact CD2-CG 4.34Å; L27-E80 HydrophobicContact CD2-CB 4.12Å; L27-E80 HydrophobicContact CD2-CG 4.02Å; L27-Y82 HydrophobicContact CD2-CD2 4.41Å; L27-Y82 HydrophobicContact CD2-CE2 4.46Å
28M83.4Confident82.2Confident3 Ų350 Ų502%0.01528%0.275CS..Hα-helixtrans-64.6-34.6-177.9-75.7-176.6-55.600111.3P24 Q25 H30 M31 I32 I37 E42 V45 L58P24-M28 HydrophobicContact CB-CE 3.99Å; P24-M28 WeakPolarHBondContact O-CB 3.41Å; P24-M28 WeakPolarHBondContact O-CE 3.28Å; P24-M28 WeakPolarHBondContact O-CG 3.46Å; P24-M28 PolarHBondContact O-N 3Å; Q25-M28 PolarHBondContact O-N 3.3Å; M28-H30 VanDerWaalsContact C-N 3.34Å; M28-H30 PolarHBondContact O-N 2.99Å; M28-M31 CarbonylContact O-C 3.52Å; M28-M31 PolarHBondContact O-N 3.08Å; M28-M31 VanDerWaalsContact O-N 3.1Å; M28-I32 HydrophobicContact CB-CD1 4.46Å; M28-I32 WeakPolarHBondContact O-CB 3.15Å; M28-I32 WeakPolarHBondContact O-CD1 3.28Å; M28-I32 WeakPolarHBondContact O-CG1 3.44Å; M28-I32 PolarHBondContact O-N 3.38Å; M28-I37 HydrophobicContact CG-CD1 4.22Å; M28-E42 HydrophobicContact CB-CG 4.31Å; M28-E42 HydrophobicContact CE-CG 3.8Å; M28-E42 HydrophobicContact SD-CB 4.46Å; M28-E42 HydrophobicContact SD-CG 3.97Å; M28-V45 HydrophobicContact CE-CB 4.31Å; M28-V45 HydrophobicContact CE-CG1 3.95Å; M28-V45 HydrophobicContact SD-CB 3.91Å; M28-V45 HydrophobicContact SD-CG1 3.84Å; M28-V45 HydrophobicContact SD-CG2 4.19Å; M28-L58 HydrophobicContact CG-CD1 3.82Å; M28-L58 HydrophobicContact CG-CD2 4.13Å; M28-L58 HydrophobicContact SD-CD1 4.03Å
29D83.7Confident82.1Confident99 Ų9954.2 Ų54.253%0.52930%0.301SS..Hα-helixtrans-57.4-44.5175.8-73.9-13.2000112.4Q25 L27 S33Q25-D29 PolarHBondContact O-N 3.29Å; L27-D29 VanDerWaalsContact C-N 3.29Å; L27-D29 PolarHBondContact O-N 3.29Å; D29-S33 PolarHBondContact O-N 3.38Å
30H81.6Confident81.6Confident44 Ų4458.3 Ų58.320%0.20432%0.324CS..Hα-helixtrans-67.4-39.1175.7-67.7-73.3000111.8D26 L27 M28 S33 D34 A76 E80D26-H30 PolarHBondContact O-CD2 3.23Å; L27-H30 PolarHBondContact O-N 2.98Å; M28-H30 VanDerWaalsContact C-N 3.34Å; M28-H30 PolarHBondContact O-N 2.99Å; H30-S33 WeakPolarHBondContact O-CB 3.4Å; H30-S33 PolarHBondContact O-N 2.74Å; H30-D34 PolarHBondContact O-N 2.92Å; H30-A76 HydrophobicContact CB-CB 3.82Å; H30-E80 IonicContact CD2-OE1 2.76Å; H30-E80 IonicContact CE1-OE1 3.26Å; H30-E80 IonicContact NE2-OE1 2.74Å; H30-E80 PolarHBondContact NE2-OE1 3.11Å
31M81.4Confident81.7Confident0 Ų055.4 Ų55.40%031%0.31CS..Hα-helixtrans-72-29.5-180-66.3179.67300113.2L27 M28 G35 V36 I37 L62 F73 A76L27-M31 WeakPolarHBondContact O-CG 3.3Å; L27-M31 PolarHBondContact O-N 2.76Å; L27-M31 VanDerWaalsContact O-N 3.17Å; M28-M31 CarbonylContact O-C 3.52Å; M28-M31 PolarHBondContact O-N 3.08Å; M28-M31 VanDerWaalsContact O-N 3.1Å; M31-G35 PolarHBondContact O-N 3.27Å; M31-V36 HydrophobicContact CE-CG1 3.96Å; M31-V36 WeakPolarHBondContact O-CB 3.4Å; M31-V36 PolarHBondContact O-N 3.37Å; M31-I37 HydrophobicContact CB-CB 4.31Å; M31-I37 HydrophobicContact CB-CD1 3.9Å; M31-I37 HydrophobicContact CB-CG1 4.06Å; M31-I37 HydrophobicContact CE-CD1 3.39Å; M31-I37 HydrophobicContact CE-CG1 3.84Å; M31-I37 HydrophobicContact CG-CD1 4.43Å; M31-I37 PolarHBondContact O-N 3.22Å; M31-I37 HydrophobicContact SD-CD1 3.64Å; M31-L62 HydrophobicContact CE-CD2 3.48Å; M31-L62 VanDerWaalsContact CE-CD2 3.48Å; M31-L62 HydrophobicContact CE-CG 4.29Å; M31-F73 HydrophobicContact CE-CB 3.93Å; M31-F73 HydrophobicContact SD-CB 3.98Å; M31-F73 HydrophobicContact SD-CD2 3.75Å; M31-F73 HydrophobicContact SD-CG 4.36Å; M31-A76 HydrophobicContact CG-CB 4.42Å
32I85Confident81.8Confident46 Ų4653.5 Ų53.524%0.23630%0.298CS..Hα-helixtrans-71.4-42.3171.5-67.7161.6000109.4M28 D34 G35 I37 E42M28-I32 HydrophobicContact CB-CD1 4.46Å; M28-I32 WeakPolarHBondContact O-CB 3.15Å; M28-I32 WeakPolarHBondContact O-CD1 3.28Å; M28-I32 WeakPolarHBondContact O-CG1 3.44Å; M28-I32 PolarHBondContact O-N 3.38Å; I32-D34 PolarHBondContact O-N 3.25Å; I32-G35 WeakPolarHBondContact O-CA 3.22Å; I32-G35 PolarHBondContact O-N 3.43Å; I32-I37 HydrophobicContact CG1-CB 4.16Å; I32-I37 HydrophobicContact CG1-CG2 4.1Å; I32-E42 HydrophobicContact CD1-CB 4.11Å; I32-E42 HydrophobicContact CD1-CG 4.02Å; I32-E42 WeakPolarHBondContact CD1-OE2 3.45Å
33S80.4Confident81.7Confident103 Ų10357.8 Ų57.872%0.7232%0.318SS*.Hα-helixtrans-61-33.1174.2-176.60000112.7D29 H30 G35D29-S33 PolarHBondContact O-N 3.38Å; H30-S33 WeakPolarHBondContact O-CB 3.4Å; H30-S33 PolarHBondContact O-N 2.74Å; S33-G35 PolarHBondContact O-N 3.32Å
34D76.6Confident81.5Confident74 Ų7457.3 Ų57.340%0.39632%0.32SS..THydrogen-bonded Turntrans-79.9-2175.3-69.8-13.7000112.6H30 I32 V36 S72H30-D34 PolarHBondContact O-N 2.92Å; I32-D34 PolarHBondContact O-N 3.25Å; D34-V36 VanDerWaalsContact C-N 3.27Å; D34-V36 HydrophobicContact CB-CG2 4.15Å; D34-V36 PolarHBondContact O-N 3.29Å; D34-S72 WeakPolarHBondContact CB-OG 3.17Å; D34-S72 WeakPolarHBondContact OD2-CB 3.38Å; D34-S72 PolarHBondContact OD2-OG 3.35Å
35G75.3Confident81.5Confident68 Ų6857.4 Ų57.470%0.70132%0.32SS*.THydrogen-bonded Turntrans73.315.9179.500000114.4M31 I32 S33M31-G35 PolarHBondContact O-N 3.27Å; I32-G35 WeakPolarHBondContact O-CA 3.22Å; I32-G35 PolarHBondContact O-N 3.43Å; S33-G35 PolarHBondContact O-N 3.32Å
36V80.3Confident81.6Confident26 Ų2659 Ų5916%0.15832%0.322CS..SBendtrans-89.8-38.1-173.8169.40000112.2M31 D34 K65M31-V36 HydrophobicContact CE-CG1 3.96Å; M31-V36 WeakPolarHBondContact O-CB 3.4Å; M31-V36 PolarHBondContact O-N 3.37Å; D34-V36 VanDerWaalsContact C-N 3.27Å; D34-V36 HydrophobicContact CB-CG2 4.15Å; D34-V36 PolarHBondContact O-N 3.29Å; V36-K65 PolarHBondContact O-NZ 2.87Å
37I82Confident81.9Confident5 Ų562.9 Ų62.93%0.02634%0.341CS..SBendtrans-111.4138.7177.8-69.6-178.1000109M28 M31 I32 E41 L58 L61M28-I37 HydrophobicContact CG-CD1 4.22Å; M31-I37 HydrophobicContact CB-CB 4.31Å; M31-I37 HydrophobicContact CB-CD1 3.9Å; M31-I37 HydrophobicContact CB-CG1 4.06Å; M31-I37 HydrophobicContact CE-CD1 3.39Å; M31-I37 HydrophobicContact CE-CG1 3.84Å; M31-I37 HydrophobicContact CG-CD1 4.43Å; M31-I37 PolarHBondContact O-N 3.22Å; M31-I37 HydrophobicContact SD-CD1 3.64Å; I32-I37 HydrophobicContact CG1-CB 4.16Å; I32-I37 HydrophobicContact CG1-CG2 4.1Å; I37-E41 WeakPolarHBondContact CA-OE2 3.47Å; I37-E41 HydrophobicContact CG2-CB 3.97Å; I37-L58 HydrophobicContact CD1-CD1 3.53Å; I37-L61 HydrophobicContact CD1-CD2 4.23Å; I37-L61 HydrophobicContact CG1-CD2 4.14Å
38T84.1Confident82Confident71 Ų7167.7 Ų67.744%0.43636%0.362SS..  trans-89.6158.4174.966.30000111.5D40 E41 E42T38-D40 PolarHBondContact O-N 3.4Å; T38-E41 PolarHBondContact N-OE2 3.24Å; T38-E41 WeakPolarHBondContact O-CB 3.35Å; T38-E41 PolarHBondContact O-N 3.38Å; T38-E41 VanDerWaalsContact O-N 3.13Å; T38-E41 VanDerWaalsContact OG1-CG 3.27Å; T38-E41 WeakPolarHBondContact OG1-CG 3.35Å; T38-E41 PolarHBondContact OG1-N 2.97Å; T38-E41 PolarHBondContact OG1-OE2 3.36Å; T38-E42 PolarHBondContact O-N 3.05Å; T38-E42 VanDerWaalsContact O-N 3.08Å
39V79.6Confident81.8Confident88 Ų8873 Ų7353%0.53340%0.397SS..Hα-helixtrans-60.4-35.3178.4-176.40000111.6E41 E42 E43V39-E41 VanDerWaalsContact C-N 3.35Å; V39-E41 PolarHBondContact O-N 3.21Å; V39-E42 WeakPolarHBondContact O-CB 3.48Å; V39-E42 PolarHBondContact O-N 3.48Å; V39-E43 PolarHBondContact O-N 3.32Å
40D76.1Confident81.9Confident114 Ų11471.4 Ų71.461%0.6139%0.391SS*.Hα-helixtrans-66.9-35.5176.8-63.7-15.6000112.7T38 E43 K44T38-D40 PolarHBondContact O-N 3.4Å; D40-E43 PolarHBondContact O-N 3.33Å; D40-K44 WeakPolarHBondContact O-CG 3.43Å; D40-K44 PolarHBondContact O-N 3.24Å; D40-K44 VanDerWaalsContact O-N 3.08Å
41E83.1Confident82.1Confident39 Ų3974.6 Ų74.618%0.18240%0.401CS..Hα-helixtrans-69.4-39.1175.9-75.6173.9157.800111.4I37 T38 V39 K44 V45 L61 K65I37-E41 WeakPolarHBondContact CA-OE2 3.47Å; I37-E41 HydrophobicContact CG2-CB 3.97Å; T38-E41 PolarHBondContact N-OE2 3.24Å; T38-E41 WeakPolarHBondContact O-CB 3.35Å; T38-E41 PolarHBondContact O-N 3.38Å; T38-E41 VanDerWaalsContact O-N 3.13Å; T38-E41 VanDerWaalsContact OG1-CG 3.27Å; T38-E41 WeakPolarHBondContact OG1-CG 3.35Å; T38-E41 PolarHBondContact OG1-N 2.97Å; T38-E41 PolarHBondContact OG1-OE2 3.36Å; V39-E41 VanDerWaalsContact C-N 3.35Å; V39-E41 PolarHBondContact O-N 3.21Å; E41-K44 WeakPolarHBondContact O-CB 3.18Å; E41-K44 PolarHBondContact O-N 3.2Å; E41-V45 WeakPolarHBondContact O-CG2 3.48Å; E41-V45 PolarHBondContact O-N 3.22Å; E41-L61 HydrophobicContact CB-CD1 3.7Å; E41-L61 HydrophobicContact CG-CD1 3.81Å; E41-K65 WeakPolarHBondContact OE1-CE 3.41Å; E41-K65 IonicContact OE1-NZ 3Å; E41-K65 PolarHBondContact OE1-NZ 3.38Å; E41-K65 WeakPolarHBondContact OE2-CE 3.47Å; E41-K65 IonicContact OE2-NZ 2.94Å; E41-K65 PolarHBondContact OE2-NZ 3.29Å
42E84.6Confident82.2Confident41 Ų4179 Ų7919%0.19242%0.421CS..Hα-helixtrans-59.8-45.5172.1-166.6-152.2150.400111M28 I32 T38 V39 K44 V45 R46M28-E42 HydrophobicContact CB-CG 4.31Å; M28-E42 HydrophobicContact CE-CG 3.8Å; M28-E42 HydrophobicContact SD-CB 4.46Å; M28-E42 HydrophobicContact SD-CG 3.97Å; I32-E42 HydrophobicContact CD1-CB 4.11Å; I32-E42 HydrophobicContact CD1-CG 4.02Å; I32-E42 WeakPolarHBondContact CD1-OE2 3.45Å; T38-E42 PolarHBondContact O-N 3.05Å; T38-E42 VanDerWaalsContact O-N 3.08Å; V39-E42 WeakPolarHBondContact O-CB 3.48Å; V39-E42 PolarHBondContact O-N 3.48Å; E42-K44 VanDerWaalsContact C-N 3.34Å; E42-K44 PolarHBondContact O-N 3.2Å; E42-V45 PolarHBondContact O-N 3.22Å; E42-R46 WeakPolarHBondContact O-CB 3.31Å; E42-R46 PolarHBondContact O-N 3.49Å
43E83.3Confident82.1Confident92 Ų9280.2 Ų80.243%0.4343%0.427SS..Hα-helixtrans-60.9-41.6176.1-73.8-160.7151.800112.2V39 D40 V45 R46 I47V39-E43 PolarHBondContact O-N 3.32Å; D40-E43 PolarHBondContact O-N 3.33Å; E43-V45 VanDerWaalsContact C-N 3.31Å; E43-V45 PolarHBondContact O-N 2.98Å; E43-R46 PolarHBondContact O-N 3.46Å; E43-R46 VanDerWaalsContact O-N 3.17Å; E43-I47 WeakPolarHBondContact O-CD1 3.34Å; E43-I47 WeakPolarHBondContact O-CG1 3.38Å; E43-I47 PolarHBondContact O-N 3.48Å
44K82.3Confident82.4Confident129 Ų12976.6 Ų76.656%0.56140%0.399SS*.Hα-helixtrans-61.1-38.9175.8-76.3174.7-176.5172.80112.4D40 E41 E42D40-K44 WeakPolarHBondContact O-CG 3.43Å; D40-K44 PolarHBondContact O-N 3.24Å; D40-K44 VanDerWaalsContact O-N 3.08Å; E41-K44 WeakPolarHBondContact O-CB 3.18Å; E41-K44 PolarHBondContact O-N 3.2Å; E42-K44 VanDerWaalsContact C-N 3.34Å; E42-K44 PolarHBondContact O-N 3.2Å
45V84.3Confident82.9Confident3 Ų373.2 Ų73.22%0.01838%0.381CS..Hα-helixtrans-68.4-45.6173.8174.90000109.6P24 M28 E41 E42 E43 I47 K48 Q54 A57 L58P24-V45 HydrophobicContact CB-CG1 4.37Å; M28-V45 HydrophobicContact CE-CB 4.31Å; M28-V45 HydrophobicContact CE-CG1 3.95Å; M28-V45 HydrophobicContact SD-CB 3.91Å; M28-V45 HydrophobicContact SD-CG1 3.84Å; M28-V45 HydrophobicContact SD-CG2 4.19Å; E41-V45 WeakPolarHBondContact O-CG2 3.48Å; E41-V45 PolarHBondContact O-N 3.22Å; E42-V45 PolarHBondContact O-N 3.22Å; E43-V45 VanDerWaalsContact C-N 3.31Å; E43-V45 PolarHBondContact O-N 2.98Å; V45-I47 VanDerWaalsContact C-N 3.35Å; V45-I47 PolarHBondContact O-N 2.9Å; V45-K48 WeakPolarHBondContact O-CB 3.39Å; V45-K48 WeakPolarHBondContact O-CG 3.49Å; V45-K48 PolarHBondContact O-N 3.2Å; V45-K48 VanDerWaalsContact O-N 3.15Å; V45-Q54 HydrophobicContact CG1-CB 4.03Å; V45-Q54 VanDerWaalsContact CG1-O 3.31Å; V45-Q54 WeakPolarHBondContact CG1-O 3.4Å; V45-Q54 WeakPolarHBondContact O-CG 3.34Å; V45-A57 HydrophobicContact CG1-CB 4.49Å; V45-A57 HydrophobicContact CG2-CB 4.2Å; V45-L58 HydrophobicContact CG1-CB 4.4Å
46R81.9Confident83.3Confident141 Ų14170.7 Ų70.753%0.53235%0.354SS..Hα-helixtrans-63.4-32.7-177-164.4-178.874.5174-3.3114.2E42 E43 K48E42-R46 WeakPolarHBondContact O-CB 3.31Å; E42-R46 PolarHBondContact O-N 3.49Å; E43-R46 PolarHBondContact O-N 3.46Å; E43-R46 VanDerWaalsContact O-N 3.17Å; R46-K48 PolarHBondContact O-N 3Å; R46-K48 VanDerWaalsContact O-N 3.14Å
47I86.3Confident83.6Confident135 Ų13570.5 Ų70.569%0.69236%0.355SS*.THydrogen-bonded Turntrans-61.4-19.4177.5-71.6161.2000112E43 V45E43-I47 WeakPolarHBondContact O-CD1 3.34Å; E43-I47 WeakPolarHBondContact O-CG1 3.38Å; E43-I47 PolarHBondContact O-N 3.48Å; V45-I47 VanDerWaalsContact C-N 3.35Å; V45-I47 PolarHBondContact O-N 2.9Å
48K86.1Confident83.9Confident100 Ų10070.3 Ų70.344%0.43535%0.354SS..SBendtrans-69.1137.5178.8-59.9-63.4-177.9178.30111.7V45 R46 D53 Q54 A57V45-K48 WeakPolarHBondContact O-CB 3.39Å; V45-K48 WeakPolarHBondContact O-CG 3.49Å; V45-K48 PolarHBondContact O-N 3.2Å; V45-K48 VanDerWaalsContact O-N 3.15Å; R46-K48 PolarHBondContact O-N 3Å; R46-K48 VanDerWaalsContact O-N 3.14Å; K48-D53 HydrophobicContact CB-CB 3.9Å; K48-D53 HydrophobicContact CG-CB 4.48Å; K48-Q54 HydrophobicContact CB-CG 3.82Å; K48-Q54 PolarHBondContact O-NE2 3.45Å; K48-A57 HydrophobicContact CG-CB 4.19Å
49P79.9Confident84Confident115 Ų11567 Ų6775%0.74733%0.334SS*.SBendtrans-76.9-27-166.229.5-35.4000114.1
50T86.9Confident84.1Confident66 Ų6665.7 Ų65.741%0.40532%0.324SS..SBendtrans-117.5150.4-17977.60000111.8K52 D53 Q54T50-K52 PolarHBondContact O-N 3.1Å; T50-D53 PolarHBondContact O-N 2.92Å; T50-D53 VanDerWaalsContact O-N 3.09Å; T50-D53 WeakPolarHBondContact OG1-CB 3.48Å; T50-D53 PolarHBondContact OG1-N 3.21Å; T50-D53 VanDerWaalsContact OG1-N 3.14Å; T50-D53 PolarHBondContact OG1-OD2 3.43Å; T50-Q54 WeakPolarHBondContact O-CG 3.17Å; T50-Q54 PolarHBondContact O-N 3.41Å
51R84.8Confident84.5Confident110 Ų11061.5 Ų61.542%0.41530%0.301SS..Hα-helixtrans-54.4-36.8175.4178.4-179.6168.1-163.1-5.7112.5D21 I22 Q54 A55D21-R51 PolarHBondContact O-NH2 3.38Å; I22-R51 VanDerWaalsContact C-NH2 3.27Å; I22-R51 PolarHBondContact O-NE 3.21Å; I22-R51 PolarHBondContact O-NH2 3.23Å; R51-Q54 PolarHBondContact O-N 3.43Å; R51-A55 WeakPolarHBondContact O-CB 3.49Å; R51-A55 PolarHBondContact O-N 2.94Å
52K83.9Confident84.5Confident94 Ų9459.7 Ų59.741%0.40929%0.293SS..Hα-helixtrans-69-41178.4-169.6176.1-179.2-178.20111.6E19 T50 Q54 A55 A56E19-K52 HydrophobicContact CB-CG 4.2Å; T50-K52 PolarHBondContact O-N 3.1Å; K52-Q54 VanDerWaalsContact C-N 3.32Å; K52-A55 PolarHBondContact O-N 3.31Å; K52-A56 WeakPolarHBondContact O-CB 3.2Å; K52-A56 PolarHBondContact O-N 2.8Å
53D83.3Confident84.3Confident71 Ų7158.2 Ų58.238%0.3829%0.286SS..Hα-helixtrans-68.1-33.9175.5-60.4-37.2000111.9K48 T50 A57K48-D53 HydrophobicContact CB-CB 3.9Å; K48-D53 HydrophobicContact CG-CB 4.48Å; T50-D53 PolarHBondContact O-N 2.92Å; T50-D53 VanDerWaalsContact O-N 3.09Å; T50-D53 WeakPolarHBondContact OG1-CB 3.48Å; T50-D53 PolarHBondContact OG1-N 3.21Å; T50-D53 VanDerWaalsContact OG1-N 3.14Å; T50-D53 PolarHBondContact OG1-OD2 3.43Å; D53-A57 VanDerWaalsContact O-CB 3.24Å; D53-A57 WeakPolarHBondContact O-CB 3.39Å; D53-A57 PolarHBondContact O-N 2.82Å
54Q86.6Confident84Confident27 Ų2763.7 Ų63.713%0.12630%0.303CS..Hα-helixtrans-65.2-45.7172.2-67175.2-4.400110.9P24 V45 K48 T50 R51 K52 A57 L58P24-Q54 HydrophobicContact CB-CB 4.41Å; P24-Q54 HydrophobicContact CG-CB 3.88Å; V45-Q54 HydrophobicContact CG1-CB 4.03Å; V45-Q54 VanDerWaalsContact CG1-O 3.31Å; V45-Q54 WeakPolarHBondContact CG1-O 3.4Å; V45-Q54 WeakPolarHBondContact O-CG 3.34Å; K48-Q54 HydrophobicContact CB-CG 3.82Å; K48-Q54 PolarHBondContact O-NE2 3.45Å; T50-Q54 WeakPolarHBondContact O-CG 3.17Å; T50-Q54 PolarHBondContact O-N 3.41Å; R51-Q54 PolarHBondContact O-N 3.43Å; K52-Q54 VanDerWaalsContact C-N 3.32Å; Q54-A57 PolarHBondContact O-N 3.23Å; Q54-L58 WeakPolarHBondContact O-CB 3.49Å; Q54-L58 PolarHBondContact O-N 3.01Å
55A85.8Confident83.9Confident2 Ų259.5 Ų59.52%0.01729%0.285CS..Hα-helixtrans-65.5-42177.500000111.9P24 R51 K52 A57 L58 I59P24-A55 HydrophobicContact CG-CB 3.89Å; R51-A55 WeakPolarHBondContact O-CB 3.49Å; R51-A55 PolarHBondContact O-N 2.94Å; K52-A55 PolarHBondContact O-N 3.31Å; A55-A57 PolarHBondContact O-N 3.26Å; A55-L58 PolarHBondContact O-N 3.14Å; A55-I59 WeakPolarHBondContact O-CD1 3.46Å; A55-I59 VanDerWaalsContact O-CG1 3.24Å; A55-I59 WeakPolarHBondContact O-CG1 3.38Å; A55-I59 PolarHBondContact O-N 3.49Å
56A85.3Confident83.7Confident16 Ų1661.6 Ų61.613%0.13230%0.296CS..Hα-helixtrans-61.5-42.9174.400000111.8E19 K52 I59 D60E19-A56 HydrophobicContact CG-CB 4.08Å; K52-A56 WeakPolarHBondContact O-CB 3.2Å; K52-A56 PolarHBondContact O-N 2.8Å; A56-I59 PolarHBondContact O-N 3.07Å; A56-D60 WeakPolarHBondContact O-CB 3.36Å; A56-D60 PolarHBondContact O-N 2.83Å
57A85.4Confident83.4Confident22 Ų2256.2 Ų56.218%0.18228%0.277CS..Hα-helixtrans-64.1-40.4176.300000112.4V45 K48 D53 Q54 A55 D60 L61V45-A57 HydrophobicContact CG1-CB 4.49Å; V45-A57 HydrophobicContact CG2-CB 4.2Å; K48-A57 HydrophobicContact CG-CB 4.19Å; D53-A57 VanDerWaalsContact O-CB 3.24Å; D53-A57 WeakPolarHBondContact O-CB 3.39Å; D53-A57 PolarHBondContact O-N 2.82Å; Q54-A57 PolarHBondContact O-N 3.23Å; A55-A57 PolarHBondContact O-N 3.26Å; A57-D60 PolarHBondContact O-N 2.81Å; A57-L61 VanDerWaalsContact O-CB 3.31Å; A57-L61 WeakPolarHBondContact O-CB 3.48Å; A57-L61 PolarHBondContact O-N 3.26Å
58L87.8Confident82.9Confident1 Ų152.6 Ų52.61%0.00526%0.264CS..Hα-helixtrans-64.6-41.9175.1-179.761.9000111.8P24 M28 I37 V45 Q54 A55 L61 L62 F73P24-L58 HydrophobicContact CB-CD2 3.9Å; M28-L58 HydrophobicContact CG-CD1 3.82Å; M28-L58 HydrophobicContact CG-CD2 4.13Å; M28-L58 HydrophobicContact SD-CD1 4.03Å; I37-L58 HydrophobicContact CD1-CD1 3.53Å; V45-L58 HydrophobicContact CG1-CB 4.4Å; Q54-L58 WeakPolarHBondContact O-CB 3.49Å; Q54-L58 PolarHBondContact O-N 3.01Å; A55-L58 PolarHBondContact O-N 3.14Å; L58-L61 WeakPolarHBondContact O-CB 3.32Å; L58-L61 PolarHBondContact O-N 2.67Å; L58-L62 HydrophobicContact CG-CD1 4.48Å; L58-L62 WeakPolarHBondContact O-CG 3.43Å; L58-L62 PolarHBondContact O-N 3.33Å; L58-F73 HydrophobicContact CD2-CE2 4.1Å
59I86.3Confident82.6Confident2 Ų247.9 Ų47.91%0.0124%0.243CC..Hα-helixtrans-67.6-41.8176.9-64.9160.4000110.9R15 L18 E19 A55 A56 L61 L62 L63R15-I59 HydrophobicContact CG-CG2 4.38Å; L18-I59 HydrophobicContact CB-CD1 3.59Å; L18-I59 HydrophobicContact CB-CG1 4.47Å; L18-I59 HydrophobicContact CD1-CD1 4.48Å; E19-I59 HydrophobicContact CG-CD1 3.82Å; A55-I59 WeakPolarHBondContact O-CD1 3.46Å; A55-I59 VanDerWaalsContact O-CG1 3.24Å; A55-I59 WeakPolarHBondContact O-CG1 3.38Å; A55-I59 PolarHBondContact O-N 3.49Å; A56-I59 PolarHBondContact O-N 3.07Å; I59-L61 PolarHBondContact O-N 3.3Å; I59-L62 PolarHBondContact O-N 3.46Å; I59-L63 HydrophobicContact CG2-CD1 4.21Å; I59-L63 HydrophobicContact CG2-CG 4.47Å; I59-L63 VanDerWaalsContact O-CG 3.31Å; I59-L63 WeakPolarHBondContact O-CG 3.42Å; I59-L63 PolarHBondContact O-N 2.82Å
60D83.1Confident82.6Confident59 Ų5942.4 Ų42.432%0.31621%0.208SC..Hα-helixtrans-63.9-30.1175.3-77.7-28.1000112.1R15 A56 A57 R64R15-D60 IonicContact CZ-OD1 3.69Å; R15-D60 IonicContact CZ-OD2 2.76Å; R15-D60 IonicContact NH1-OD1 2.86Å; R15-D60 PolarHBondContact NH1-OD1 2.87Å; R15-D60 VanDerWaalsContact NH2-CG 3.29Å; R15-D60 IonicContact NH2-OD1 3.57Å; R15-D60 PolarHBondContact NH2-OD1 3.08Å; R15-D60 IonicContact NH2-OD2 2.83Å; R15-D60 PolarHBondContact NH2-OD2 3.4Å; A56-D60 WeakPolarHBondContact O-CB 3.36Å; A56-D60 PolarHBondContact O-N 2.83Å; A57-D60 PolarHBondContact O-N 2.81Å; D60-R64 WeakPolarHBondContact O-CG 3.35Å
61L84.4Confident82.3Confident27 Ų2740.6 Ų40.614%0.14120%0.195CC..Hα-helixtrans-71.3-46.8173-168.6142000111.3I37 E41 A57 L58 I59 L63 R64 K65I37-L61 HydrophobicContact CD1-CD2 4.23Å; I37-L61 HydrophobicContact CG1-CD2 4.14Å; E41-L61 HydrophobicContact CB-CD1 3.7Å; E41-L61 HydrophobicContact CG-CD1 3.81Å; A57-L61 VanDerWaalsContact O-CB 3.31Å; A57-L61 WeakPolarHBondContact O-CB 3.48Å; A57-L61 PolarHBondContact O-N 3.26Å; L58-L61 WeakPolarHBondContact O-CB 3.32Å; L58-L61 PolarHBondContact O-N 2.67Å; I59-L61 PolarHBondContact O-N 3.3Å; L61-L63 VanDerWaalsContact C-N 3.3Å; L61-L63 PolarHBondContact O-N 3.43Å; L61-R64 WeakPolarHBondContact O-CB 3.09Å; L61-R64 PolarHBondContact O-N 2.94Å; L61-K65 HydrophobicContact CD2-CD 4Å; L61-K65 HydrophobicContact CD2-CG 4.43Å; L61-K65 PolarHBondContact O-N 2.98Å
62L82.4Confident82.2Confident0 Ų035.7 Ų35.70%018%0.177CC..Hα-helixtrans-59.1-38.1174.2-79.5170.2000113M31 L58 I59 R64 K65 V70 F73M31-L62 HydrophobicContact CE-CD2 3.48Å; M31-L62 VanDerWaalsContact CE-CD2 3.48Å; M31-L62 HydrophobicContact CE-CG 4.29Å; L58-L62 HydrophobicContact CG-CD1 4.48Å; L58-L62 WeakPolarHBondContact O-CG 3.43Å; L58-L62 PolarHBondContact O-N 3.33Å; I59-L62 PolarHBondContact O-N 3.46Å; L62-R64 PolarHBondContact O-N 3.32Å; L62-R64 VanDerWaalsContact O-N 3.15Å; L62-K65 PolarHBondContact O-N 3.03Å; L62-K65 VanDerWaalsContact O-N 3.08Å; L62-V70 HydrophobicContact CD2-CG2 4.39Å; L62-F73 HydrophobicContact CD1-CB 3.96Å; L62-F73 HydrophobicContact CD1-CD1 3.76Å; L62-F73 HydrophobicContact CD1-CD2 3.58Å; L62-F73 HydrophobicContact CD1-CE1 4.02Å; L62-F73 HydrophobicContact CD1-CE2 3.84Å; L62-F73 HydrophobicContact CD1-CG 3.5Å; L62-F73 VanDerWaalsContact CD1-CG 3.5Å; L62-F73 HydrophobicContact CD1-CZ 4.02Å; L62-F73 HydrophobicContact CD2-CB 4.18Å
63L81.6Confident82.3Confident10 Ų1031.2 Ų31.25%0.05216%0.158CC..THydrogen-bonded Turntrans-64.9-14.8175.8-74.5169.8000113.4L3 R8 L11 L12 I59 L61L3-L63 HydrophobicContact CD2-CD2 4.37Å; R8-L63 HydrophobicContact CG-CD2 3.68Å; R8-L63 PolarHBondContact NH1-O 2.89Å; L11-L63 HydrophobicContact CB-CD2 4.13Å; L11-L63 HydrophobicContact CD1-CD2 4.45Å; L12-L63 HydrophobicContact CD2-CD1 3.72Å; L12-L63 HydrophobicContact CD2-CD2 4.36Å; L12-L63 HydrophobicContact CG-CD1 4.36Å; L12-L63 HydrophobicContact CG-CD2 4.1Å; I59-L63 HydrophobicContact CG2-CD1 4.21Å; I59-L63 HydrophobicContact CG2-CG 4.47Å; I59-L63 VanDerWaalsContact O-CG 3.31Å; I59-L63 WeakPolarHBondContact O-CG 3.42Å; I59-L63 PolarHBondContact O-N 2.82Å; L61-L63 VanDerWaalsContact C-N 3.3Å; L61-L63 PolarHBondContact O-N 3.43Å
64R75.9Confident82.5Confident208 Ų20829.5 Ų29.579%0.78515%0.146SC*.THydrogen-bonded Turntrans-99.5-9.3176.1-63.8173.5-168.8-165.90.8112.8D60 L61 L62D60-R64 WeakPolarHBondContact O-CG 3.35Å; L61-R64 WeakPolarHBondContact O-CB 3.09Å; L61-R64 PolarHBondContact O-N 2.94Å; L62-R64 PolarHBondContact O-N 3.32Å; L62-R64 VanDerWaalsContact O-N 3.15Å
65K80.9Confident82.2Confident41 Ų4131.1 Ų31.118%0.17816%0.156CC..SBendtrans-99.6-176.6-176.8-70.1-154.9176.2-158.40112.4L3 V36 E41 L61 L62 S69L3-K65 WeakPolarHBondContact CB-O 3.44Å; L3-K65 PolarHBondContact N-O 2.95Å; V36-K65 PolarHBondContact O-NZ 2.87Å; E41-K65 WeakPolarHBondContact OE1-CE 3.41Å; E41-K65 IonicContact OE1-NZ 3Å; E41-K65 PolarHBondContact OE1-NZ 3.38Å; E41-K65 WeakPolarHBondContact OE2-CE 3.47Å; E41-K65 IonicContact OE2-NZ 2.94Å; E41-K65 PolarHBondContact OE2-NZ 3.29Å; L61-K65 HydrophobicContact CD2-CD 4Å; L61-K65 HydrophobicContact CD2-CG 4.43Å; L61-K65 PolarHBondContact O-N 2.98Å; L62-K65 PolarHBondContact O-N 3.03Å; L62-K65 VanDerWaalsContact O-N 3.08Å; K65-S69 WeakPolarHBondContact CB-OG 3.46Å
66D79.1Confident82.2Confident47 Ų4731 Ų3125%0.25116%0.155SC..  trans-87172.6-175.463-4.6000112.9M1 C68 S69M1-D66 HydrophobicContact CB-CB 3.95Å; M1-D66 WeakPolarHBondContact O-CB 3.39Å; D66-C68 PolarHBondContact O-N 3.47Å; D66-S69 WeakPolarHBondContact O-CB 3.39Å; D66-S69 PolarHBondContact O-N 3.43Å; D66-S69 PolarHBondContact O-OG 2.95Å; D66-S69 WeakPolarHBondContact OD1-CB 3.43Å; D66-S69 PolarHBondContact OD1-N 3.08Å
67D76.5Confident82.2Confident27 Ų2730.3 Ų30.314%0.14415%0.149CC..Hα-helixtrans-62.6-29.9178.9-67.7-37.7000112.4L3 Q4 S69 V70 I71 P94L3-D67 VanDerWaalsContact CD1-OD1 3.31Å; L3-D67 WeakPolarHBondContact CD1-OD1 3.19Å; Q4-D67 VanDerWaalsContact CG-OD2 3.31Å; Q4-D67 WeakPolarHBondContact CG-OD2 3.36Å; Q4-D67 PolarHBondContact N-OD1 2.99Å; D67-S69 PolarHBondContact O-N 3.42Å; D67-V70 PolarHBondContact O-N 3.26Å; D67-I71 VanDerWaalsContact O-CG1 3.29Å; D67-I71 WeakPolarHBondContact O-CG1 3.3Å; D67-I71 PolarHBondContact O-N 2.96Å; D67-P94 HydrophobicContact CB-CG 4.08Å
68C74.3Confident82Confident60 Ų6032.8 Ų32.841%0.40516%0.158SC..Hα-helixtrans-58.2-38.7173.6-63.20000111.5D66 V70 I71 S72D66-C68 PolarHBondContact O-N 3.47Å; C68-V70 VanDerWaalsContact C-N 3.34Å; C68-V70 PolarHBondContact O-N 3.44Å; C68-I71 PolarHBondContact O-N 3.35Å; C68-S72 PolarHBondContact O-N 3.44Å
69S79.8Confident81.6Confident0 Ų038.4 Ų38.40%018%0.182CC..Hα-helixtrans-64.8-37.9177.974.70000113.6K65 D66 D67 S72 F73K65-S69 WeakPolarHBondContact CB-OG 3.46Å; D66-S69 WeakPolarHBondContact O-CB 3.39Å; D66-S69 PolarHBondContact O-N 3.43Å; D66-S69 PolarHBondContact O-OG 2.95Å; D66-S69 WeakPolarHBondContact OD1-CB 3.43Å; D66-S69 PolarHBondContact OD1-N 3.08Å; D67-S69 PolarHBondContact O-N 3.42Å; S69-S72 PolarHBondContact O-N 3.47Å; S69-F73 WeakPolarHBondContact O-CB 3.3Å; S69-F73 PolarHBondContact O-N 2.9Å
70V80.3Confident81.4Confident1 Ų141.4 Ų41.41%0.00620%0.196CC..Hα-helixtrans-76.4-31.1178.8-177.60000111.3L3 T7 L11 L62 D67 C68 F73 Y74 L93L3-V70 HydrophobicContact CD1-CB 4.23Å; L3-V70 HydrophobicContact CD1-CG2 3.34Å; L3-V70 HydrophobicContact CD2-CG2 4.44Å; T7-V70 HydrophobicContact CG2-CB 4.16Å; T7-V70 HydrophobicContact CG2-CG1 3.75Å; T7-V70 HydrophobicContact CG2-CG2 4.44Å; L11-V70 HydrophobicContact CD1-CB 4.45Å; L11-V70 HydrophobicContact CD1-CG1 3.95Å; L11-V70 HydrophobicContact CD1-CG2 3.58Å; L11-V70 HydrophobicContact CG-CG1 4.36Å; L62-V70 HydrophobicContact CD2-CG2 4.39Å; D67-V70 PolarHBondContact O-N 3.26Å; C68-V70 VanDerWaalsContact C-N 3.34Å; C68-V70 PolarHBondContact O-N 3.44Å; V70-F73 PolarHBondContact O-N 3.09Å; V70-Y74 WeakPolarHBondContact O-CB 3.45Å; V70-Y74 PolarHBondContact O-N 2.83Å; V70-L93 HydrophobicContact CG1-CD2 4.25Å
71I80.3Confident81Confident28 Ų2843.9 Ų43.914%0.14421%0.214CC..Hα-helixtrans-66.3-44.8170.7-66.9162000110.7D67 C68 F73 Y74 N75 L93D67-I71 VanDerWaalsContact O-CG1 3.29Å; D67-I71 WeakPolarHBondContact O-CG1 3.3Å; D67-I71 PolarHBondContact O-N 2.96Å; C68-I71 PolarHBondContact O-N 3.35Å; I71-F73 VanDerWaalsContact C-N 3.35Å; I71-Y74 WeakPolarHBondContact O-CB 3.43Å; I71-Y74 PolarHBondContact O-N 3.04Å; I71-N75 WeakPolarHBondContact O-CB 3.44Å; I71-N75 VanDerWaalsContact O-CG 3.23Å; I71-N75 PolarHBondContact O-N 2.71Å; I71-N75 PolarHBondContact O-ND2 2.92Å; I71-L93 HydrophobicContact CG1-CD2 3.84Å
72S83.7Confident80.9Confident6 Ų644.7 Ų44.74%0.04222%0.215CC..Hα-helixtrans-62.4-42.6174.8176.30000111.3D34 C68 S69 Y74 N75 A76D34-S72 WeakPolarHBondContact CB-OG 3.17Å; D34-S72 WeakPolarHBondContact OD2-CB 3.38Å; D34-S72 PolarHBondContact OD2-OG 3.35Å; C68-S72 PolarHBondContact O-N 3.44Å; S69-S72 PolarHBondContact O-N 3.47Å; S72-Y74 PolarHBondContact O-N 3.46Å; S72-N75 PolarHBondContact O-N 3.01Å; S72-A76 WeakPolarHBondContact O-CB 3.43Å; S72-A76 PolarHBondContact O-N 2.72Å
73F86.6Confident80.7Confident1 Ų149.4 Ų49.40%0.00424%0.237CC..Hα-helixtrans-60.3-42.8173.1-179.8-113.5000112.7L11 L18 I22 L27 M31 L58 L62 S69 V70 I71 A76 L77 L89L11-F73 HydrophobicContact CD2-CE1 4.34Å; L18-F73 HydrophobicContact CD2-CE1 4.42Å; I22-F73 HydrophobicContact CD1-CE1 4.36Å; I22-F73 HydrophobicContact CD1-CE2 4.11Å; I22-F73 HydrophobicContact CD1-CZ 3.44Å; I22-F73 VanDerWaalsContact CD1-CZ 3.44Å; L27-F73 HydrophobicContact CD1-CD2 4.16Å; L27-F73 HydrophobicContact CD1-CE2 3.55Å; L27-F73 HydrophobicContact CD1-CZ 4.3Å; M31-F73 HydrophobicContact CE-CB 3.93Å; M31-F73 HydrophobicContact SD-CB 3.98Å; M31-F73 HydrophobicContact SD-CD2 3.75Å; M31-F73 HydrophobicContact SD-CG 4.36Å; L58-F73 HydrophobicContact CD2-CE2 4.1Å; L62-F73 HydrophobicContact CD1-CB 3.96Å; L62-F73 HydrophobicContact CD1-CD1 3.76Å; L62-F73 HydrophobicContact CD1-CD2 3.58Å; L62-F73 HydrophobicContact CD1-CE1 4.02Å; L62-F73 HydrophobicContact CD1-CE2 3.84Å; L62-F73 HydrophobicContact CD1-CG 3.5Å; L62-F73 VanDerWaalsContact CD1-CG 3.5Å; L62-F73 HydrophobicContact CD1-CZ 4.02Å; L62-F73 HydrophobicContact CD2-CB 4.18Å; S69-F73 WeakPolarHBondContact O-CB 3.3Å; S69-F73 PolarHBondContact O-N 2.9Å; V70-F73 PolarHBondContact O-N 3.09Å; I71-F73 VanDerWaalsContact C-N 3.35Å; F73-A76 PolarHBondContact O-N 3.41Å; F73-L77 HydrophobicContact CD1-CD1 3.91Å; F73-L77 HydrophobicContact CE1-CD1 3.63Å; F73-L77 HydrophobicContact CE1-CG 4.43Å; F73-L77 HydrophobicContact CZ-CD1 4.06Å; F73-L77 HydrophobicContact CZ-CG 4.47Å; F73-L77 WeakPolarHBondContact O-CG 3.29Å; F73-L77 PolarHBondContact O-N 2.96Å; F73-L89 HydrophobicContact CE1-CD1 4.31Å
74Y85.6Confident80.4Confident34 Ų3455.3 Ų55.313%0.13327%0.269CS..Hα-helixtrans-61.4-43.5173.6167.4-95.2000112.1V70 I71 S72 A76 L77 M78 A86 L89 Y90 L93V70-Y74 WeakPolarHBondContact O-CB 3.45Å; V70-Y74 PolarHBondContact O-N 2.83Å; I71-Y74 WeakPolarHBondContact O-CB 3.43Å; I71-Y74 PolarHBondContact O-N 3.04Å; S72-Y74 PolarHBondContact O-N 3.46Å; Y74-A76 VanDerWaalsContact C-N 3.34Å; Y74-A76 PolarHBondContact O-N 3.36Å; Y74-L77 WeakPolarHBondContact O-CB 3.3Å; Y74-L77 PolarHBondContact O-N 3.39Å; Y74-M78 HydrophobicContact CD1-CG 4.49Å; Y74-M78 HydrophobicContact CE1-CG 3.98Å; Y74-M78 HydrophobicContact CE2-CG 4.13Å; Y74-M78 WeakPolarHBondContact O-CG 3.32Å; Y74-M78 PolarHBondContact O-N 3.47Å; Y74-A86 HydrophobicContact CD2-CB 4.04Å; Y74-A86 HydrophobicContact CE2-CB 3.75Å; Y74-A86 VanDerWaalsContact CE2-O 3.23Å; Y74-A86 WeakPolarHBondContact CE2-O 3.33Å; Y74-L89 HydrophobicContact CD2-CB 4.2Å; Y74-Y90 HydrophobicContact CE1-CD2 4.33Å; Y74-Y90 HydrophobicContact CE2-CD2 4.12Å; Y74-Y90 AromaticContact CZ-CD2 3.65Å; Y74-Y90 WeakPolarHBondContact OH-CD2 3.39Å; Y74-L93 HydrophobicContact CD1-CD1 3.75Å; Y74-L93 HydrophobicContact CD2-CD1 3.47Å; Y74-L93 VanDerWaalsContact CD2-CD1 3.47Å; Y74-L93 HydrophobicContact CE1-CD1 4.24Å; Y74-L93 HydrophobicContact CE2-CD1 3.98Å; Y74-L93 HydrophobicContact CG-CD1 3.34Å
75N81.6Confident80.5Confident62 Ų6246.2 Ų46.233%0.33224%0.235SC..Hα-helixtrans-65.4-38.1177.1-69.7-26.3000111.7I71 S72 M78 K79I71-N75 WeakPolarHBondContact O-CB 3.44Å; I71-N75 VanDerWaalsContact O-CG 3.23Å; I71-N75 PolarHBondContact O-N 2.71Å; I71-N75 PolarHBondContact O-ND2 2.92Å; S72-N75 PolarHBondContact O-N 3.01Å; N75-M78 PolarHBondContact O-N 3.44Å; N75-K79 WeakPolarHBondContact O-CG 3.39Å; N75-K79 PolarHBondContact O-N 3.14Å
76A84.8Confident80.3Confident0 Ų044.2 Ų44.20%023%0.227CC..Hα-helixtrans-62.8-44.4173.500000111L27 H30 M31 S72 F73 Y74 M78 K79 E80L27-A76 HydrophobicContact CB-CB 4.33Å; L27-A76 VanDerWaalsContact CD2-C 3.47Å; L27-A76 HydrophobicContact CD2-CB 3.75Å; H30-A76 HydrophobicContact CB-CB 3.82Å; M31-A76 HydrophobicContact CG-CB 4.42Å; S72-A76 WeakPolarHBondContact O-CB 3.43Å; S72-A76 PolarHBondContact O-N 2.72Å; F73-A76 PolarHBondContact O-N 3.41Å; Y74-A76 VanDerWaalsContact C-N 3.34Å; Y74-A76 PolarHBondContact O-N 3.36Å; A76-M78 VanDerWaalsContact C-N 3.29Å; A76-M78 PolarHBondContact O-N 2.92Å; A76-K79 PolarHBondContact O-N 2.9Å; A76-E80 PolarHBondContact O-N 2.89Å
77L85.3Confident80.2Confident0 Ų049.2 Ų49.20%025%0.246CC..Hα-helixtrans-60.1-38.5174.1-73.2170.1000112.2I22 L27 F73 Y74 Y82 A86 L89I22-L77 HydrophobicContact CD1-CD2 3.83Å; I22-L77 HydrophobicContact CG1-CD2 4.08Å; L27-L77 HydrophobicContact CD1-CD2 3.65Å; L27-L77 HydrophobicContact CD1-CG 4.22Å; L27-L77 HydrophobicContact CD2-CD2 4.09Å; L27-L77 HydrophobicContact CD2-CG 4.34Å; F73-L77 HydrophobicContact CD1-CD1 3.91Å; F73-L77 HydrophobicContact CE1-CD1 3.63Å; F73-L77 HydrophobicContact CE1-CG 4.43Å; F73-L77 HydrophobicContact CZ-CD1 4.06Å; F73-L77 HydrophobicContact CZ-CG 4.47Å; F73-L77 WeakPolarHBondContact O-CG 3.29Å; F73-L77 PolarHBondContact O-N 2.96Å; Y74-L77 WeakPolarHBondContact O-CB 3.3Å; Y74-L77 PolarHBondContact O-N 3.39Å; L77-Y82 HydrophobicContact CD2-CD2 3.85Å; L77-Y82 HydrophobicContact CD2-CG 3.91Å; L77-Y82 WeakPolarHBondContact O-CB 3.49Å; L77-Y82 PolarHBondContact O-N 3.44Å; L77-A86 HydrophobicContact CB-CB 4.21Å; L77-L89 HydrophobicContact CD1-CD1 3.56Å
78M81.3Confident80.1Confident74 Ų7450.5 Ų50.537%0.36526%0.257SS..Hα-helixtrans-68.5-36.1176.5-75.8-63-67.700113Y74 N75 A76 H83 A86Y74-M78 HydrophobicContact CD1-CG 4.49Å; Y74-M78 HydrophobicContact CE1-CG 3.98Å; Y74-M78 HydrophobicContact CE2-CG 4.13Å; Y74-M78 WeakPolarHBondContact O-CG 3.32Å; Y74-M78 PolarHBondContact O-N 3.47Å; N75-M78 PolarHBondContact O-N 3.44Å; A76-M78 VanDerWaalsContact C-N 3.29Å; A76-M78 PolarHBondContact O-N 2.92Å; M78-H83 PolarHBondContact O-CE1 3.46Å; M78-A86 HydrophobicContact CG-CB 3.81Å; M78-A86 HydrophobicContact SD-CB 3.4Å; M78-A86 WeakPolarHBondContact SD-CB 3.46Å
79K80.4Confident80.1Confident119 Ų11947.9 Ų47.952%0.51724%0.239SC..Hα-helixtrans-72-40.4177.4-74.7174.9-179.1172.90112.3N75 A76 T81N75-K79 WeakPolarHBondContact O-CG 3.39Å; N75-K79 PolarHBondContact O-N 3.14Å; A76-K79 PolarHBondContact O-N 2.9Å; K79-T81 PolarHBondContact O-N 2.96Å
80E81.1Confident79.8Confident65 Ų6554.9 Ų54.930%0.30427%0.267SS..THydrogen-bonded Turntrans-86.121.9-178.7-66.3-59.1147.900113.7D26 L27 H30 A76 Y82D26-E80 HydrophobicContact CB-CG 4.24Å; L27-E80 HydrophobicContact CD2-CB 4.12Å; L27-E80 HydrophobicContact CD2-CG 4.02Å; H30-E80 IonicContact CD2-OE1 2.76Å; H30-E80 IonicContact CE1-OE1 3.26Å; H30-E80 IonicContact NE2-OE1 2.74Å; H30-E80 PolarHBondContact NE2-OE1 3.11Å; A76-E80 PolarHBondContact O-N 2.89Å; E80-Y82 VanDerWaalsContact C-N 3.3Å; E80-Y82 HydrophobicContact CB-CD2 3.8Å; E80-Y82 HydrophobicContact CB-CE2 3.86Å; E80-Y82 WeakPolarHBondContact O-CD2 3.45Å; E80-Y82 PolarHBondContact O-N 3.43Å
81T75.4Confident79Confident111 Ų11162.4 Ų62.468%0.68130%0.302SS*.THydrogen-bonded Turntrans63.618.6175.264.90000116.8K79 H83K79-T81 PolarHBondContact O-N 2.96Å; T81-H83 PolarHBondContact O-N 3.49Å
82Y83.1Confident78Confident45 Ų4563 Ų6318%0.17631%0.305CS..  trans-81.653.4173.6-66-76.7000112.7D21 R23 L27 L77 E80 D84 L85 A86D21-Y82 VanDerWaalsContact O-CE1 3.32Å; D21-Y82 WeakPolarHBondContact O-CE1 3.35Å; D21-Y82 PolarHBondContact O-OH 2.94Å; R23-Y82 PolarHBondContact N-OH 3.41Å; L27-Y82 HydrophobicContact CD2-CD2 4.41Å; L27-Y82 HydrophobicContact CD2-CE2 4.46Å; L77-Y82 HydrophobicContact CD2-CD2 3.85Å; L77-Y82 HydrophobicContact CD2-CG 3.91Å; L77-Y82 WeakPolarHBondContact O-CB 3.49Å; L77-Y82 PolarHBondContact O-N 3.44Å; E80-Y82 VanDerWaalsContact C-N 3.3Å; E80-Y82 HydrophobicContact CB-CD2 3.8Å; E80-Y82 HydrophobicContact CB-CE2 3.86Å; E80-Y82 WeakPolarHBondContact O-CD2 3.45Å; E80-Y82 PolarHBondContact O-N 3.43Å; Y82-D84 PolarHBondContact O-N 3.12Å; Y82-L85 HydrophobicContact CD1-CD1 4.03Å; Y82-L85 PolarHBondContact O-N 3.28Å; Y82-A86 WeakPolarHBondContact O-CB 3.43Å; Y82-A86 PolarHBondContact O-N 3.24Å
83H76.4Confident77.1Confident98 Ų9864.4 Ų64.445%0.45431%0.312SS..Hα-helixtrans-62.7-34.7-170-64.8-40000114.5M78 T81 K87M78-H83 PolarHBondContact O-CE1 3.46Å; T81-H83 PolarHBondContact O-N 3.49Å; H83-K87 VanDerWaalsContact O-CB 3.23Å; H83-K87 WeakPolarHBondContact O-CB 3.43Å; H83-K87 PolarHBondContact O-N 3.29Å
84D77.2Confident75.6Confident135 Ų13565.5 Ų65.572%0.72232%0.319SS*.Hα-helixtrans-71.3-39.4-179.4-67.2-31.2000112.6Y82 S88Y82-D84 PolarHBondContact O-N 3.12Å; D84-S88 PolarHBondContact O-N 3.49Å; D84-S88 PolarHBondContact O-OG 3.06Å
85L77.1Confident73.9Confident16 Ų1668.1 Ų68.18%0.08436%0.356CS..Hα-helixtrans-70.1-43.3175.4-66.7172.8000110.9Q17 L18 D21 I22 Y82 S88 L89Q17-L85 HydrophobicContact CB-CD2 4.16Å; L18-L85 HydrophobicContact CD2-CB 4.4Å; L18-L85 HydrophobicContact CD2-CD1 4.4Å; L18-L85 HydrophobicContact CD2-CD2 4.29Å; D21-L85 HydrophobicContact CB-CD1 3.89Å; I22-L85 HydrophobicContact CG1-CD1 4.2Å; Y82-L85 HydrophobicContact CD1-CD1 4.03Å; Y82-L85 PolarHBondContact O-N 3.28Å; L85-S88 PolarHBondContact O-N 2.87Å; L85-L89 PolarHBondContact O-N 3.25Å; L85-L89 VanDerWaalsContact O-N 3.09Å
86A76.7Confident72.1Confident0 Ų069.9 Ų69.90%037%0.37CS..Hα-helixtrans-61.8-45.7176.200000111.3Y74 L77 M78 Y82 S88 L89 Y90Y74-A86 HydrophobicContact CD2-CB 4.04Å; Y74-A86 HydrophobicContact CE2-CB 3.75Å; Y74-A86 VanDerWaalsContact CE2-O 3.23Å; Y74-A86 WeakPolarHBondContact CE2-O 3.33Å; L77-A86 HydrophobicContact CB-CB 4.21Å; M78-A86 HydrophobicContact CG-CB 3.81Å; M78-A86 HydrophobicContact SD-CB 3.4Å; M78-A86 WeakPolarHBondContact SD-CB 3.46Å; Y82-A86 WeakPolarHBondContact O-CB 3.43Å; Y82-A86 PolarHBondContact O-N 3.24Å; A86-S88 PolarHBondContact O-N 2.96Å; A86-L89 CarbonylContact O-C 3.57Å; A86-L89 PolarHBondContact O-N 2.89Å; A86-Y90 PolarHBondContact O-N 3.49Å
87K77.1Confident69.7Low152 Ų15275 Ų7566%0.66141%0.405SS*.Hα-helixtrans-60.2-32178.1-168.1176.3-176.7-179.20112.9H83H83-K87 VanDerWaalsContact O-CB 3.23Å; H83-K87 WeakPolarHBondContact O-CB 3.43Å; H83-K87 PolarHBondContact O-N 3.29Å
88S73.6Confident67.1Low53 Ų5383.5 Ų83.537%0.37144%0.442SS..Hα-helixtrans-72.9-35.7175.4-57.20000112.5D84 L85 A86D84-S88 PolarHBondContact O-N 3.49Å; D84-S88 PolarHBondContact O-OG 3.06Å; L85-S88 PolarHBondContact O-N 2.87Å; A86-S88 PolarHBondContact O-N 2.96Å
89L75.6Confident64.6Low5 Ų587 Ų873%0.02646%0.463CS..Hα-helixtrans-73.2-29.4172.6-82.5154.6000112.8L11 L14 L18 F73 Y74 L77 L85 A86 Q91 D92L11-L89 HydrophobicContact CD2-CD2 3.99Å; L11-L89 HydrophobicContact CG-CD2 4.35Å; L14-L89 HydrophobicContact CD1-CD2 4.03Å; L14-L89 HydrophobicContact CD1-CG 3.73Å; L18-L89 HydrophobicContact CD2-CD1 4.16Å; F73-L89 HydrophobicContact CE1-CD1 4.31Å; Y74-L89 HydrophobicContact CD2-CB 4.2Å; L77-L89 HydrophobicContact CD1-CD1 3.56Å; L85-L89 PolarHBondContact O-N 3.25Å; L85-L89 VanDerWaalsContact O-N 3.09Å; A86-L89 CarbonylContact O-C 3.57Å; A86-L89 PolarHBondContact O-N 2.89Å; L89-Q91 VanDerWaalsContact C-N 3.34Å; L89-Q91 PolarHBondContact O-N 2.86Å; L89-D92 PolarHBondContact O-N 3.18Å
90Y72.8Confident62.3Low147 Ų14785 Ų8558%0.57648%0.475SS*.Hα-helixtrans-63-33.2-174.7-173.5-105.9000114.5Y74 A86 D92Y74-Y90 HydrophobicContact CE1-CD2 4.33Å; Y74-Y90 HydrophobicContact CE2-CD2 4.12Å; Y74-Y90 AromaticContact CZ-CD2 3.65Å; Y74-Y90 WeakPolarHBondContact OH-CD2 3.39Å; A86-Y90 PolarHBondContact O-N 3.49Å; Y90-D92 PolarHBondContact O-N 2.95Å; Y90-D92 VanDerWaalsContact O-N 3.13Å
91Q62.4Low59.7Low160 Ų16092.9 Ų92.975%0.74850%0.502SS*.THydrogen-bonded Turntrans-64.3-19-177.6-69.6-173.8-12.600113.5L89L89-Q91 VanDerWaalsContact C-N 3.34Å; L89-Q91 PolarHBondContact O-N 2.86Å
92D60.9Low57.8Low40 Ų4098.3 Ų98.321%0.21452%0.517CS..THydrogen-bonded Turntrans-123.36.9-172.6-69-44.3000114.2R6 S10 L89 Y90R6-D92 IonicContact CZ-OD1 3.9Å; R6-D92 IonicContact NE-OD1 3.92Å; R6-D92 PolarHBondContact NE-OD1 3.33Å; R6-D92 IonicContact NH2-OD1 3.85Å; S10-D92 PolarHBondContact OG-OD2 3.14Å; L89-D92 PolarHBondContact O-N 3.18Å; Y90-D92 PolarHBondContact O-N 2.95Å; Y90-D92 VanDerWaalsContact O-N 3.13Å
93L63.5Low55Low35 Ų3599.2 Ų99.218%0.18354%0.54CS..  trans-76137.5177.7-86.5162.8000111.6V70 I71 Y74 G95V70-L93 HydrophobicContact CG1-CD2 4.25Å; I71-L93 HydrophobicContact CG1-CD2 3.84Å; Y74-L93 HydrophobicContact CD1-CD1 3.75Å; Y74-L93 HydrophobicContact CD2-CD1 3.47Å; Y74-L93 VanDerWaalsContact CD2-CD1 3.47Å; Y74-L93 HydrophobicContact CE1-CD1 4.24Å; Y74-L93 HydrophobicContact CE2-CD1 3.98Å; Y74-L93 HydrophobicContact CG-CD1 3.34Å; L93-G95 PolarHBondContact O-N 3.03Å
94P56.6Low53Low24 Ų2499.3 Ų99.316%0.15655%0.551CS.*  trans-65.7134.4174.124.5-29.5000110.6D67 V96D67-P94 HydrophobicContact CB-CG 4.08Å; P94-V96 PolarHBondContact O-N 3.1Å
95G50.1Low50.8Low89 Ų89101.6 Ų101.692%0.91856%0.555SS**  trans-72.286.4-179.700000112.4L93L93-G95 PolarHBondContact O-N 3.03Å
96V43.4Very low48.7Very low100 Ų100107.7 Ų107.761%0.60659%0.588SS**  trans-116.8112.2168.6-176.50000108.5P94 F98P94-V96 PolarHBondContact O-N 3.1Å; V96-F98 PolarHBondContact O-N 3.33Å
97S33.2Very low46.9Very low107 Ų107112.4 Ų112.475%0.74862%0.621SS**  trans-75.8108.2177.457.40000110.5N99S97-N99 VanDerWaalsContact C-N 3.26Å; S97-N99 PolarHBondContact O-N 3.26Å
98F31.1Very low45.3Very low178 Ų178106.9 Ų106.978%0.78160%0.601SS**  trans-77.375.6168.5-123.1-89.1000109.6V96V96-F98 PolarHBondContact O-N 3.33Å
99N28.2Very low44.2Very low149 Ų149111.7 Ų111.780%0.79762%0.618SS**  trans-90104.5165.7-104.2-7000108.6S97 R101S97-N99 VanDerWaalsContact C-N 3.26Å; S97-N99 PolarHBondContact O-N 3.26Å; N99-R101 VanDerWaalsContact C-N 3.34Å; N99-R101 PolarHBondContact O-N 3.46Å
100G32.4Very low43.5Very low75 Ų75115 Ų11577%0.77364%0.638SS**  trans-60.293.417000000110.9
101R26Very low43.3Very low232 Ų232113.3 Ų113.388%0.87563%0.631SS**SBendtrans-160.6123.8154.2-102.3174-166.7-161.82.9107.2N99 G103N99-R101 VanDerWaalsContact C-N 3.34Å; N99-R101 PolarHBondContact O-N 3.46Å; R101-G103 PolarHBondContact O-N 3.34Å
102K35.9Very low43.7Very low225 Ų225106.3 Ų106.398%0.97860%0.599SS**  trans-44.6104.3170.9-74176.1173.2179.70110.2
103G24.2Very low44.2Very low64 Ų64110.3 Ų110.366%0.6662%0.617SS**  trans-123.895165.200000107.2R101R101-G103 PolarHBondContact O-N 3.34Å
104S35Very low44.6Very low99 Ų99112.1 Ų112.169%0.69263%0.626SS**  trans-57.1146.7159.550.90000109
105F31.6Very low45.6Very low183 Ų183111.7 Ų111.780%0.80362%0.622SS**SBendtrans96.178.6-178.1-59.6-76.6000114.8
106D31.5Very low47Very low145 Ų145107.8 Ų107.878%0.77558%0.58SS**SBendtrans166.8-9.1135.1-92.4-4.7000112.6
107S39.8Very low48.5Very low99 Ų99105.3 Ų105.369%0.69257%0.567SS**SBendtrans-89.5-8.5178.6640000115.4T110S107-T110 PolarHBondContact O-OG1 2.86Å
108S44Very low50.4Low35 Ų35106.4 Ų106.425%0.24556%0.561CS.*Hα-helixtrans-95-31.9-172.172.50000114.7T110 Y111 V112 Q174S108-T110 VanDerWaalsContact C-N 3.27Å; S108-T110 PolarHBondContact O-N 2.83Å; S108-Y111 PolarHBondContact O-N 3.49Å; S108-V112 PolarHBondContact O-N 3.14Å; S108-Q174 VanDerWaalsContact CB-NE2 3.31Å; S108-Q174 PolarHBondContact OG-NE2 2.98Å; S108-Q174 PolarHBondContact OG-OE1 3.02Å
109E50.8Low52.4Low155 Ų15598 Ų9872%0.72452%0.524SS*.Hα-helixtrans-64.6-34.9172.9-75.7-169.1160.900111.4Q113E109-Q113 WeakPolarHBondContact O-CB 3.22Å; E109-Q113 PolarHBondContact O-N 3.48Å; E109-Q113 VanDerWaalsContact O-N 3.08Å
110T60.9Low54.7Low73 Ų7391 Ų9145%0.44849%0.487SS..Hα-helixtrans-65.2-37.717517.30000112.1S107 S108 Q113 I114S107-T110 PolarHBondContact O-OG1 2.86Å; S108-T110 VanDerWaalsContact C-N 3.27Å; S108-T110 PolarHBondContact O-N 2.83Å; T110-Q113 PolarHBondContact O-N 3.27Å; T110-I114 WeakPolarHBondContact O-CB 3.29Å; T110-I114 WeakPolarHBondContact O-CD1 3.46Å; T110-I114 WeakPolarHBondContact O-CG1 3.34Å; T110-I114 PolarHBondContact O-N 3.03Å
111Y68.4Low57.1Low112 Ų11287.7 Ų87.744%0.43945%0.452SS..Hα-helixtrans-63.8-48.5176.9177.1-101.1000112.1S108 Q113 I114 M115S108-Y111 PolarHBondContact O-N 3.49Å; Y111-Q113 VanDerWaalsContact C-N 3.32Å; Y111-Q113 PolarHBondContact O-N 3.25Å; Y111-I114 PolarHBondContact O-N 2.74Å; Y111-M115 WeakPolarHBondContact O-CB 3.33Å; Y111-M115 PolarHBondContact O-N 2.71Å
112V71.4Confident59.6Low13 Ų1377.8 Ų77.88%0.07942%0.417CS..Hα-helixtrans-60.7-43.6177.8169.50000110.7S108 M115 L116 Q174 I177S108-V112 PolarHBondContact O-N 3.14Å; V112-M115 PolarHBondContact O-N 3.43Å; V112-L116 HydrophobicContact CG1-CD1 3.62Å; V112-L116 HydrophobicContact CG1-CG 4.25Å; V112-L116 WeakPolarHBondContact O-CB 3.4Å; V112-L116 WeakPolarHBondContact O-CG 3.09Å; V112-L116 PolarHBondContact O-N 3.11Å; V112-Q174 HydrophobicContact CG2-CB 4.24Å; V112-Q174 HydrophobicContact CG2-CG 4.13Å; V112-I177 HydrophobicContact CB-CD1 4.36Å; V112-I177 HydrophobicContact CG1-CD1 3.57Å; V112-I177 HydrophobicContact CG2-CD1 4.17Å
113Q70.6Confident61.5Low125 Ų12572.4 Ų72.458%0.58440%0.396SS*.Hα-helixtrans-66.6-39-179.4-166.4169.24.100112.7E109 T110 Y111 S117E109-Q113 WeakPolarHBondContact O-CB 3.22Å; E109-Q113 PolarHBondContact O-N 3.48Å; E109-Q113 VanDerWaalsContact O-N 3.08Å; T110-Q113 PolarHBondContact O-N 3.27Å; Y111-Q113 VanDerWaalsContact C-N 3.32Å; Y111-Q113 PolarHBondContact O-N 3.25Å; Q113-S117 WeakPolarHBondContact O-CB 3.13Å; Q113-S117 PolarHBondContact O-N 2.96Å; Q113-S117 PolarHBondContact O-OG 2.77Å
114I71.9Confident64.1Low72 Ų7275.9 Ų75.937%0.36939%0.389SS..Hα-helixtrans-64.5-49.9174.8-69.7162.7000110.1T110 Y111 L116 S117 E118T110-I114 WeakPolarHBondContact O-CB 3.29Å; T110-I114 WeakPolarHBondContact O-CD1 3.46Å; T110-I114 WeakPolarHBondContact O-CG1 3.34Å; T110-I114 PolarHBondContact O-N 3.03Å; Y111-I114 PolarHBondContact O-N 2.74Å; I114-L116 PolarHBondContact O-N 2.97Å; I114-S117 WeakPolarHBondContact CA-OG 2.94Å; I114-S117 PolarHBondContact O-N 3.19Å; I114-S117 VanDerWaalsContact O-N 3.11Å; I114-S117 PolarHBondContact O-OG 2.97Å; I114-E118 HydrophobicContact CG2-CG 4.44Å; I114-E118 PolarHBondContact O-N 3.36Å
115M76.4Confident65.9Low16 Ų1673.7 Ų73.78%0.07937%0.373CS..Hα-helixtrans-62.5-41.7-177.7-169.2-87.1-130.500112.4Y111 V112 S117 E118 G119 I177 F181 G184 V185Y111-M115 WeakPolarHBondContact O-CB 3.33Å; Y111-M115 PolarHBondContact O-N 2.71Å; V112-M115 PolarHBondContact O-N 3.43Å; M115-S117 VanDerWaalsContact C-N 3.33Å; M115-S117 PolarHBondContact O-N 2.82Å; M115-E118 PolarHBondContact O-N 3.28Å; M115-G119 PolarHBondContact O-N 2.95Å; M115-I177 HydrophobicContact CE-CG2 3.63Å; M115-F181 WeakPolarHBondContact CE-O 3.18Å; M115-G184 VanDerWaalsContact CE-N 3.28Å; M115-V185 HydrophobicContact CE-CG2 4.2Å; M115-V185 HydrophobicContact SD-CB 4.34Å; M115-V185 HydrophobicContact SD-CG2 4.27Å; M115-V185 PolarHBondContact SD-N 3.27Å; M115-V185 VanDerWaalsContact SD-N 3.37Å
116L80.1Confident67.7Low6 Ų669 Ų693%0.03136%0.359CS..Hα-helixtrans-65.9-35.6175.1-69.8172.1000112.4V112 I114 G119 G120 V121 V171 R172 I177 V185V112-L116 HydrophobicContact CG1-CD1 3.62Å; V112-L116 HydrophobicContact CG1-CG 4.25Å; V112-L116 WeakPolarHBondContact O-CB 3.4Å; V112-L116 WeakPolarHBondContact O-CG 3.09Å; V112-L116 PolarHBondContact O-N 3.11Å; I114-L116 PolarHBondContact O-N 2.97Å; L116-G119 PolarHBondContact O-N 2.91Å; L116-G120 PolarHBondContact O-N 3.5Å; L116-V121 HydrophobicContact CB-CB 4.29Å; L116-V121 HydrophobicContact CD2-CB 4.21Å; L116-V121 HydrophobicContact CD2-CG1 4.39Å; L116-V121 HydrophobicContact CD2-CG2 3.83Å; L116-V121 PolarHBondContact O-N 3.33Å; L116-V171 HydrophobicContact CD2-CG2 4.02Å; L116-R172 HydrophobicContact CD1-CB 4.38Å; L116-R172 HydrophobicContact CD1-CG 3.62Å; L116-I177 HydrophobicContact CD1-CD1 4.45Å; L116-I177 HydrophobicContact CD2-CD1 4.24Å; L116-I177 HydrophobicContact CG-CD1 4.3Å; L116-V185 HydrophobicContact CD2-CB 4.41Å
117S75.9Confident69.8Low48 Ų4863.2 Ų63.234%0.33633%0.328SS..Hα-helixtrans-69.5-41.817670.60000112.6Q113 I114 M115 G119 G120 N434Q113-S117 WeakPolarHBondContact O-CB 3.13Å; Q113-S117 PolarHBondContact O-N 2.96Å; Q113-S117 PolarHBondContact O-OG 2.77Å; I114-S117 WeakPolarHBondContact CA-OG 2.94Å; I114-S117 PolarHBondContact O-N 3.19Å; I114-S117 VanDerWaalsContact O-N 3.11Å; I114-S117 PolarHBondContact O-OG 2.97Å; M115-S117 VanDerWaalsContact C-N 3.33Å; M115-S117 PolarHBondContact O-N 2.82Å; S117-G119 VanDerWaalsContact C-N 3.26Å; S117-G119 PolarHBondContact O-N 2.87Å; S117-G120 PolarHBondContact O-N 3.37Å; S117-N434 PolarHBondContact O-OD1 3.19Å
118E73Confident71.7Confident131 Ų13161.4 Ų61.461%0.61231%0.308SS*.Hα-helixtrans-65.3-33.8173-70.1-177174.200111.6I114 M115 G120I114-E118 HydrophobicContact CG2-CG 4.44Å; I114-E118 PolarHBondContact O-N 3.36Å; M115-E118 PolarHBondContact O-N 3.28Å; E118-G120 PolarHBondContact O-N 3.42Å
119G73.3Confident73.4Confident2 Ų260.5 Ų60.52%0.02130%0.301CS..Hα-helixtrans-65.6-22.7176.400000115.5M115 L116 S117 V185 H186 W187 R208M115-G119 PolarHBondContact O-N 2.95Å; L116-G119 PolarHBondContact O-N 2.91Å; S117-G119 VanDerWaalsContact C-N 3.26Å; S117-G119 PolarHBondContact O-N 2.87Å; G119-V185 CarbonylContact C-O 3.54Å; G119-V185 WeakPolarHBondContact CA-O 3.47Å; G119-H186 CarbonylContact O-C 3.53Å; G119-H186 WeakPolarHBondContact O-CA 3.33Å; G119-W187 PolarHBondContact O-N 2.94Å; G119-R208 PolarHBondContact O-NH1 3.5Å
120G75.1Confident74.7Confident1 Ų156.4 Ų56.41%0.0129%0.289CS..THydrogen-bonded Turntrans9013.9-176.800000114.4L116 S117 E118 W187 N434L116-G120 PolarHBondContact O-N 3.5Å; S117-G120 PolarHBondContact O-N 3.37Å; E118-G120 PolarHBondContact O-N 3.42Å; G120-W187 VanDerWaalsContact O-CB 3.31Å; G120-W187 WeakPolarHBondContact O-CB 3.19Å; G120-N434 VanDerWaalsContact C-OD1 3.29Å; G120-N434 WeakPolarHBondContact CA-ND2 3.47Å; G120-N434 WeakPolarHBondContact CA-OD1 3.42Å; G120-N434 PolarHBondContact O-ND2 2.94Å
121V83.4Confident75.8Confident5 Ų554.8 Ų54.83%0.0328%0.275CS..PPolyproline II helixtrans-75.3126.5-173.1-179.20000110.1L116 A168 V171 V185 W187L116-V121 HydrophobicContact CB-CB 4.29Å; L116-V121 HydrophobicContact CD2-CB 4.21Å; L116-V121 HydrophobicContact CD2-CG1 4.39Å; L116-V121 HydrophobicContact CD2-CG2 3.83Å; L116-V121 PolarHBondContact O-N 3.33Å; V121-A168 HydrophobicContact CG1-CB 3.94Å; V121-V171 HydrophobicContact CG1-CG2 4.28Å; V121-V185 HydrophobicContact CG2-CB 4.48Å; V121-V185 HydrophobicContact CG2-CG1 3.97Å; V121-W187 HydrophobicContact CG1-CE3 4.3Å; V121-W187 HydrophobicContact CG2-CB 4.25Å
122P79.4Confident76.4Confident24 Ų2452.5 Ų52.516%0.15627%0.274CS..PPolyproline II helixtrans-62146.9-175.924.1-33.3000112.3A168 R172 W187P122-A168 HydrophobicContact CG-CB 4.12Å; P122-R172 PolarHBondContact O-NH2 3.43Å; P122-W187 VanDerWaalsContact CD-CD2 3.48Å; P122-W187 HydrophobicContact CG-CD2 4.29Å; P122-W187 HydrophobicContact CG-CE3 4.49Å; P122-W187 HydrophobicContact CG-CH2 4.14Å; P122-W187 HydrophobicContact CG-CZ2 3.87Å; P122-W187 HydrophobicContact CG-CZ3 4.43Å
123Q75.4Confident77.1Confident113 Ų11359.5 Ų59.553%0.52831%0.306SS..PPolyproline II helixtrans-69.8161.7176.6-67.4-162.8-0.600112.4
124R79Confident77.8Confident137 Ų13755 Ų5552%0.51729%0.286SS..PPolyproline II helixtrans-61.5142.9175.6-71.6-179.4177.1157.8-0.5109.7E169R124-E169 IonicContact CZ-OE1 2.79Å; R124-E169 IonicContact CZ-OE2 2.69Å; R124-E169 IonicContact NE-OE1 3.35Å; R124-E169 IonicContact NE-OE2 3.89Å; R124-E169 PolarHBondContact NE-OE2 3.21Å; R124-E169 IonicContact NH2-OE1 2.96Å; R124-E169 PolarHBondContact NH2-OE1 3.09Å; R124-E169 IonicContact NH2-OE2 2.82Å; R124-E169 PolarHBondContact NH2-OE2 3.21Å
125P72.6Confident78.5Confident53 Ų5352.2 Ų52.234%0.34427%0.272SS..PPolyproline II helixtrans-61.9158.7172.926-32.6000111V127 F128 V165P125-V127 PolarHBondContact O-N 3.31Å; P125-V127 VanDerWaalsContact O-N 3.09Å; P125-F128 HydrophobicContact CG-CB 4.25Å; P125-F128 HydrophobicContact CG-CD2 4.24Å; P125-V165 HydrophobicContact CG-CG1 4.23Å
126V69.7Low79Confident84 Ų8455.6 Ų55.651%0.50929%0.29SS..SBendtrans-50.7-38.9-176.4-179.80000112.3
127V74.3Confident79.4Confident23 Ų2359.9 Ų59.914%0.13931%0.31CS..SBendtrans-123.6124.5170.5176.80000108.1P125 I299 L302 Y303P125-V127 PolarHBondContact O-N 3.31Å; P125-V127 VanDerWaalsContact O-N 3.09Å; V127-I299 HydrophobicContact CG1-CG2 4.28Å; V127-L302 HydrophobicContact CG1-CB 3.53Å; V127-L302 HydrophobicContact CG1-CD1 3.75Å; V127-L302 HydrophobicContact CG1-CG 4.29Å; V127-Y303 HydrophobicContact CB-CD2 3.92Å; V127-Y303 HydrophobicContact CB-CE1 4.45Å; V127-Y303 HydrophobicContact CB-CE2 3.45Å; V127-Y303 VanDerWaalsContact CB-CE2 3.45Å; V127-Y303 HydrophobicContact CG1-CD2 4.05Å; V127-Y303 HydrophobicContact CG1-CE2 3.96Å; V127-Y303 HydrophobicContact CG2-CD1 3.86Å; V127-Y303 HydrophobicContact CG2-CD2 3.68Å; V127-Y303 HydrophobicContact CG2-CE1 3.71Å; V127-Y303 HydrophobicContact CG2-CE2 3.51Å; V127-Y303 HydrophobicContact CG2-CG 3.84Å
128F79.6Confident80Confident61 Ų6157.6 Ų57.627%0.26829%0.294SS..  trans-126.5132.7-177.4174.9-101.9000110.6P125 V165 E169P125-F128 HydrophobicContact CG-CB 4.25Å; P125-F128 HydrophobicContact CG-CD2 4.24Å; F128-V165 HydrophobicContact CD2-CG1 4Å; F128-V165 HydrophobicContact CE2-CG1 3.84Å; F128-E169 HydrophobicContact CE1-CG 4.48Å; F128-E169 HydrophobicContact CZ-CB 4.39Å; F128-E169 HydrophobicContact CZ-CG 3.82Å
129V80.4Confident80.8Confident16 Ų1653.9 Ų53.910%0.09727%0.274CS..  trans-120.5128.4174.2174.50000109.1K295 E298 I299 L302V129-K295 HydrophobicContact CG1-CB 4.14Å; V129-K295 HydrophobicContact CG1-CD 4.25Å; V129-K295 HydrophobicContact CG1-CG 4.27Å; V129-E298 WeakPolarHBondContact CG1-OE2 3.49Å; V129-E298 HydrophobicContact CG2-CB 4.22Å; V129-E298 HydrophobicContact CG2-CG 4.06Å; V129-I299 HydrophobicContact CB-CG1 4.17Å; V129-I299 HydrophobicContact CG2-CG1 3.5Å; V129-L302 HydrophobicContact CG2-CD1 3.77Å
130S77Confident81.5Confident69 Ų6960.2 Ų60.248%0.48331%0.305SS..  trans-75.6142-174.373.50000113.3P132 K295S130-P132 WeakPolarHBondContact O-CD 3.44Å; S130-K295 PolarHBondContact O-NZ 3.37Å
131R84.2Confident82.2Confident39 Ų3963.6 Ų63.615%0.14732%0.32CS..  trans-119.572.8175.4-60.8-168.7-166.6171.513.3111.2E133 L134 L135 S161 L291 P326R131-E133 VanDerWaalsContact C-N 3.3Å; R131-E133 PolarHBondContact O-N 2.85Å; R131-L134 PolarHBondContact O-N 3.26Å; R131-L135 WeakPolarHBondContact O-CB 3.4Å; R131-L135 PolarHBondContact O-N 3.49Å; R131-L135 VanDerWaalsContact O-N 3.09Å; R131-S161 PolarHBondContact NH1-O 3.17Å; R131-S161 PolarHBondContact NH2-O 3.44Å; R131-S161 VanDerWaalsContact NH2-O 3.12Å; R131-L291 VanDerWaalsContact NH2-CG 3.33Å; R131-P326 VanDerWaalsContact NH2-CG 3.26Å
132P82.2Confident82.4Confident65 Ų6563.4 Ų63.442%0.42232%0.318SS..Hα-helixtrans-60.6-34-166.323.1-33.9000114.1S130 L135 N136S130-P132 WeakPolarHBondContact O-CD 3.44Å; P132-L135 PolarHBondContact O-N 2.89Å; P132-N136 VanDerWaalsContact O-CB 3.29Å; P132-N136 WeakPolarHBondContact O-CB 3.47Å; P132-N136 PolarHBondContact O-N 2.78Å; P132-N136 PolarHBondContact O-ND2 2.92Å
133E85.1Confident82.7Confident159 Ų15965.9 Ų65.974%0.74333%0.33SS*.Hα-helixtrans-63.5-56.5-179.1-66.3175.2-174.600112.4R131 L135 N136 Q137R131-E133 VanDerWaalsContact C-N 3.3Å; R131-E133 PolarHBondContact O-N 2.85Å; E133-L135 VanDerWaalsContact C-N 3.26Å; E133-L135 PolarHBondContact O-N 3.46Å; E133-N136 PolarHBondContact O-N 3.29Å; E133-Q137 WeakPolarHBondContact O-CG 3.45Å; E133-Q137 PolarHBondContact O-N 3.1Å; E133-Q137 VanDerWaalsContact O-N 3.08Å
134L84.9Confident83.2Confident30 Ų3063.7 Ų63.716%0.15732%0.322CS..Hα-helixtrans-62.5-35.7176.5-68.1171.6000111.8R131 Q137 V138 L166 V287R131-L134 PolarHBondContact O-N 3.26Å; L134-Q137 WeakPolarHBondContact O-CB 3.19Å; L134-Q137 PolarHBondContact O-N 3.34Å; L134-V138 WeakPolarHBondContact O-CG2 3.47Å; L134-V138 PolarHBondContact O-N 2.9Å; L134-L166 HydrophobicContact CB-CD1 3.71Å; L134-L166 HydrophobicContact CD1-CD1 3.96Å; L134-L166 HydrophobicContact CG-CD1 4.49Å; L134-V287 HydrophobicContact CD1-CG1 4.39Å
135L86.6Confident83.2Confident14 Ų1457.1 Ų57.17%0.07330%0.297CS..Hα-helixtrans-69.3-40.8-177.9-148.6153.7000111.2R131 P132 E133 V138 R139 E169R131-L135 WeakPolarHBondContact O-CB 3.4Å; R131-L135 PolarHBondContact O-N 3.49Å; R131-L135 VanDerWaalsContact O-N 3.09Å; P132-L135 PolarHBondContact O-N 2.89Å; E133-L135 VanDerWaalsContact C-N 3.26Å; E133-L135 PolarHBondContact O-N 3.46Å; L135-V138 PolarHBondContact O-N 3.35Å; L135-R139 HydrophobicContact CD2-CG 4.28Å; L135-R139 WeakPolarHBondContact O-CB 3.29Å; L135-R139 WeakPolarHBondContact O-CG 3.34Å; L135-R139 PolarHBondContact O-N 2.97Å; L135-E169 HydrophobicContact CD1-CB 3.95Å; L135-E169 HydrophobicContact CD1-CG 3.36Å; L135-E169 HydrophobicContact CG-CG 4.45Å
136N88.2Confident83.1Confident87 Ų8759.2 Ų59.247%0.46530%0.302SS..Hα-helixtrans-65.1-38.2172-72.3-17000111.7P132 E133 R139 M140P132-N136 VanDerWaalsContact O-CB 3.29Å; P132-N136 WeakPolarHBondContact O-CB 3.47Å; P132-N136 PolarHBondContact O-N 2.78Å; P132-N136 PolarHBondContact O-ND2 2.92Å; E133-N136 PolarHBondContact O-N 3.29Å; N136-R139 PolarHBondContact O-N 3.37Å; N136-M140 WeakPolarHBondContact O-CB 3.42Å; N136-M140 VanDerWaalsContact O-CG 3.27Å; N136-M140 WeakPolarHBondContact O-CG 3.2Å; N136-M140 PolarHBondContact O-N 2.68Å
137Q88.4Confident82.9Confident97 Ų9763.9 Ų63.945%0.45332%0.315SS..Hα-helixtrans-60.8-48.4174.8-71.7177.38.100111.7E133 L134 R139 M140 K141 V285E133-Q137 WeakPolarHBondContact O-CG 3.45Å; E133-Q137 PolarHBondContact O-N 3.1Å; E133-Q137 VanDerWaalsContact O-N 3.08Å; L134-Q137 WeakPolarHBondContact O-CB 3.19Å; L134-Q137 PolarHBondContact O-N 3.34Å; Q137-R139 PolarHBondContact O-N 3.47Å; Q137-M140 PolarHBondContact O-N 2.9Å; Q137-K141 WeakPolarHBondContact O-CG 3.36Å; Q137-K141 PolarHBondContact O-N 3.4Å; Q137-V285 HydrophobicContact CB-CG1 4.41Å
138V88.4Confident82.3Confident0 Ų065.3 Ų65.30%032%0.322CS..Hα-helixtrans-61.6-44.6177.3176.30000111.1L134 L135 M140 K141 L142 V155 L166 A170 L266 V285L134-V138 WeakPolarHBondContact O-CG2 3.47Å; L134-V138 PolarHBondContact O-N 2.9Å; L135-V138 PolarHBondContact O-N 3.35Å; V138-M140 PolarHBondContact O-N 3.11Å; V138-K141 PolarHBondContact O-N 3.06Å; V138-L142 HydrophobicContact CG1-CD1 3.79Å; V138-L142 HydrophobicContact CG1-CG 4.3Å; V138-L142 WeakPolarHBondContact O-CG 3.18Å; V138-L142 PolarHBondContact O-N 3.01Å; V138-V155 HydrophobicContact CG1-CG2 4.45Å; V138-V155 HydrophobicContact CG2-CG2 3.97Å; V138-L166 HydrophobicContact CB-CD2 4.31Å; V138-L166 HydrophobicContact CG2-CD2 3.48Å; V138-L166 VanDerWaalsContact CG2-CD2 3.48Å; V138-A170 HydrophobicContact CB-CB 4.19Å; V138-A170 HydrophobicContact CG1-CB 3.58Å; V138-L266 HydrophobicContact CG1-CD1 4.43Å; V138-V285 HydrophobicContact CG2-CB 4.18Å; V138-V285 HydrophobicContact CG2-CG1 3.86Å; V138-V285 HydrophobicContact CG2-CG2 4.1Å
139R89.7Confident81.3Confident52 Ų5266.6 Ų66.620%0.19635%0.345CS..Hα-helixtrans-60.8-43.5177.4-73.4179.1-179170.69.9112.5L135 N136 Q137 K141 L142 D143 E169 A170 D173L135-R139 HydrophobicContact CD2-CG 4.28Å; L135-R139 WeakPolarHBondContact O-CB 3.29Å; L135-R139 WeakPolarHBondContact O-CG 3.34Å; L135-R139 PolarHBondContact O-N 2.97Å; N136-R139 PolarHBondContact O-N 3.37Å; Q137-R139 PolarHBondContact O-N 3.47Å; R139-K141 VanDerWaalsContact C-N 3.33Å; R139-K141 PolarHBondContact O-N 3.28Å; R139-L142 PolarHBondContact O-N 3.19Å; R139-D143 PolarHBondContact O-N 2.67Å; R139-E169 PolarHBondContact NH2-O 3.48Å; R139-A170 PolarHBondContact NE-O 2.93Å; R139-D173 WeakPolarHBondContact CD-OD2 3.28Å; R139-D173 VanDerWaalsContact CZ-CB 3.46Å; R139-D173 IonicContact CZ-OD2 3.21Å; R139-D173 VanDerWaalsContact CZ-OD2 3.26Å; R139-D173 IonicContact NE-OD2 3.01Å; R139-D173 PolarHBondContact NE-OD2 3.3Å; R139-D173 IonicContact NH1-OD2 4Å; R139-D173 PolarHBondContact NH1-OD2 3.25Å
140M88.7Confident80.9Confident135 Ų13566.9 Ų66.967%0.66535%0.35SS*.Hα-helixtrans-61.5-39.7175.5-75.1-179.270.100112.3N136 Q137 V138 D143 L144N136-M140 WeakPolarHBondContact O-CB 3.42Å; N136-M140 VanDerWaalsContact O-CG 3.27Å; N136-M140 WeakPolarHBondContact O-CG 3.2Å; N136-M140 PolarHBondContact O-N 2.68Å; Q137-M140 PolarHBondContact O-N 2.9Å; V138-M140 PolarHBondContact O-N 3.11Å; M140-D143 PolarHBondContact O-N 3.43Å; M140-L144 WeakPolarHBondContact O-CG 3.45Å; M140-L144 PolarHBondContact O-N 2.9Å
141K89.3Confident81.2Confident73 Ų7363.6 Ų63.632%0.31733%0.328SS..Hα-helixtrans-70.3-35.5176.4-64.2-52.1-170.1174.40112.5Q137 V138 R139 D143 L144 V153 Y283 V285Q137-K141 WeakPolarHBondContact O-CG 3.36Å; Q137-K141 PolarHBondContact O-N 3.4Å; V138-K141 PolarHBondContact O-N 3.06Å; R139-K141 VanDerWaalsContact C-N 3.33Å; R139-K141 PolarHBondContact O-N 3.28Å; K141-D143 VanDerWaalsContact C-N 3.33Å; K141-L144 HydrophobicContact CD-CD1 4.03Å; K141-L144 PolarHBondContact O-N 3.45Å; K141-V153 HydrophobicContact CB-CG1 4.11Å; K141-V153 HydrophobicContact CB-CG2 4.09Å; K141-Y283 HydrophobicContact CD-CD1 4.1Å; K141-Y283 HydrophobicContact CD-CG 4.28Å; K141-V285 HydrophobicContact CG-CG2 3.9Å
142L87.3Confident81.4Confident0 Ų062 Ų620%032%0.322CS..Hα-helixtrans-66.6-35174.2-71.7167.1000112.1V138 R139 L144 L145 V153 A170 V171 L176 F181 L244 L266V138-L142 HydrophobicContact CG1-CD1 3.79Å; V138-L142 HydrophobicContact CG1-CG 4.3Å; V138-L142 WeakPolarHBondContact O-CG 3.18Å; V138-L142 PolarHBondContact O-N 3.01Å; R139-L142 PolarHBondContact O-N 3.19Å; L142-L144 VanDerWaalsContact C-N 3.33Å; L142-L144 PolarHBondContact O-N 3.29Å; L142-L145 HydrophobicContact CD2-CD1 4.11Å; L142-L145 WeakPolarHBondContact O-CB 3.44Å; L142-L145 PolarHBondContact O-N 3.06Å; L142-V153 HydrophobicContact CD2-CB 4.25Å; L142-V153 HydrophobicContact CD2-CG2 4.09Å; L142-A170 HydrophobicContact CD1-CB 4.29Å; L142-V171 HydrophobicContact CD1-CG1 4.48Å; L142-L176 HydrophobicContact CB-CD1 4.12Å; L142-L176 HydrophobicContact CB-CD2 4.3Å; L142-L176 HydrophobicContact CD1-CD2 3.88Å; L142-F181 HydrophobicContact CB-CE2 4.41Å; L142-F181 HydrophobicContact CD2-CZ 4.42Å; L142-L244 HydrophobicContact CD2-CD1 4.2Å; L142-L244 HydrophobicContact CD2-CD2 4.24Å; L142-L266 HydrophobicContact CD1-CD2 4.37Å; L142-L266 HydrophobicContact CD2-CB 4.23Å; L142-L266 HydrophobicContact CD2-CD1 4.36Å; L142-L266 HydrophobicContact CD2-CD2 4.43Å
143D86.2Confident81.9Confident76 Ų7659 Ų5941%0.40630%0.302SS..Hα-helixtrans-65.3-35.4175.8-167.842.8000112.4R139 M140 K141 L145 Q146 C180R139-D143 PolarHBondContact O-N 2.67Å; M140-D143 PolarHBondContact O-N 3.43Å; K141-D143 VanDerWaalsContact C-N 3.33Å; D143-L145 PolarHBondContact O-N 3.48Å; D143-Q146 VanDerWaalsContact O-CB 3.22Å; D143-Q146 WeakPolarHBondContact O-CB 3.43Å; D143-Q146 PolarHBondContact O-N 3.37Å; D143-C180 PolarHBondContact OD1-SG 3.38Å; D143-C180 VanDerWaalsContact OD1-SG 3.38Å
144L84.8Confident82.1Confident67 Ų6751.4 Ų51.435%0.35127%0.267SS..Hα-helixtrans-61.1-28.2174.8-67.1172000113M140 K141 L142 Q146 K147 Y283M140-L144 WeakPolarHBondContact O-CG 3.45Å; M140-L144 PolarHBondContact O-N 2.9Å; K141-L144 HydrophobicContact CD-CD1 4.03Å; K141-L144 PolarHBondContact O-N 3.45Å; L142-L144 VanDerWaalsContact C-N 3.33Å; L142-L144 PolarHBondContact O-N 3.29Å; L144-Q146 PolarHBondContact O-N 3.01Å; L144-K147 PolarHBondContact O-N 3.42Å; L144-Y283 HydrophobicContact CB-CE1 4.22Å; L144-Y283 HydrophobicContact CB-CE2 4.09Å; L144-Y283 HydrophobicContact CD1-CD1 4.03Å; L144-Y283 HydrophobicContact CD1-CE1 3.65Å
145L79.6Confident82.3Confident0 Ų050 Ų500%026%0.259CS..THydrogen-bonded Turntrans-68.5-9.6176.2-63.6177.7000113.6L142 D143 K147 G151 V153 R264 Y283L142-L145 HydrophobicContact CD2-CD1 4.11Å; L142-L145 WeakPolarHBondContact O-CB 3.44Å; L142-L145 PolarHBondContact O-N 3.06Å; D143-L145 PolarHBondContact O-N 3.48Å; L145-K147 VanDerWaalsContact C-N 3.25Å; L145-K147 PolarHBondContact O-N 2.76Å; L145-G151 VanDerWaalsContact CD2-C 3.45Å; L145-V153 HydrophobicContact CD1-CG2 3.64Å; L145-V153 HydrophobicContact CD2-CG2 4.37Å; L145-V153 HydrophobicContact CG-CG2 3.96Å; L145-R264 HydrophobicContact CB-CG 4.37Å; L145-R264 HydrophobicContact CD1-CB 4.31Å; L145-R264 PolarHBondContact O-NE 3.36Å; L145-Y283 HydrophobicContact CD2-CD2 4.03Å; L145-Y283 HydrophobicContact CD2-CE2 3.92Å
146Q70.6Confident82.2Confident97 Ų9750.5 Ų50.545%0.45326%0.261SS..THydrogen-bonded Turntrans-64.4-33177-162.4-171.54000111.6D143 L144 E179D143-Q146 VanDerWaalsContact O-CB 3.22Å; D143-Q146 WeakPolarHBondContact O-CB 3.43Å; D143-Q146 PolarHBondContact O-N 3.37Å; L144-Q146 PolarHBondContact O-N 3.01Å; Q146-E179 PolarHBondContact NE2-O 3.24Å
147K64.6Low81.6Confident181 Ų18146.9 Ų46.979%0.78724%0.244SC*.THydrogen-bonded Turntrans-79.9-27.8-177.2-66-177.5-178.4176.50113.6L144 L145L144-K147 PolarHBondContact O-N 3.42Å; L145-K147 VanDerWaalsContact C-N 3.25Å; L145-K147 PolarHBondContact O-N 2.76Å
148D62.4Low80.7Confident53 Ų5346.6 Ų46.628%0.28324%0.244SC..SBendtrans-95.1142.4-175.4-61.4-35000110.9G150 R264 A281D148-G150 PolarHBondContact O-N 3.09Å; D148-R264 PolarHBondContact O-NH2 3.42Å; D148-R264 VanDerWaalsContact O-NH2 3.14Å; D148-A281 VanDerWaalsContact OD2-CB 3.31Å; D148-A281 WeakPolarHBondContact OD2-CB 3.48Å
149A59.4Low79.6Confident89 Ų8947.8 Ų47.874%0.73625%0.254SS*.SBendtrans-69.7-23.617700000112.3
150G71.1Confident78.5Confident21 Ų2146 Ų4622%0.21625%0.252CS..SBendtrans-158.6146.4173.200000110.5D148D148-G150 PolarHBondContact O-N 3.09Å
151G83.8Confident77.8Confident1 Ų139.8 Ų39.81%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-178163.6-176.500000113.2L145 C263 I265 A281L145-G151 VanDerWaalsContact CD2-C 3.45Å; G151-C263 PolarHBondContact N-O 3.21Å; G151-I265 PolarHBondContact O-N 2.96Å; G151-A281 WeakPolarHBondContact CA-O 3.43Å
152W88.6Confident77.1Confident6 Ų637.2 Ų37.22%0.02322%0.216CC..EExtended strand (participates in β ladder)trans-120.5128.6-166.8-58.588.3000110.9L256 F259 D260 I265 L267 V278 S279 A281 Y283W152-L256 HydrophobicContact CE3-CD1 4.26Å; W152-L256 HydrophobicContact CH2-CD1 3.96Å; W152-L256 HydrophobicContact CH2-CG 4.18Å; W152-L256 HydrophobicContact CZ3-CD1 3.43Å; W152-L256 VanDerWaalsContact CZ3-CD1 3.43Å; W152-L256 HydrophobicContact CZ3-CG 4.04Å; W152-F259 HydrophobicContact CH2-CB 4.42Å; W152-D260 HydrophobicContact CZ2-CB 4.47Å; W152-I265 WeakPolarHBondContact CA-O 3.45Å; W152-I265 HydrophobicContact CD2-CB 4.36Å; W152-I265 HydrophobicContact CE3-CB 3.7Å; W152-I265 HydrophobicContact CE3-CD1 4.12Å; W152-I265 HydrophobicContact CE3-CG1 4.49Å; W152-I265 HydrophobicContact CE3-CG2 3.7Å; W152-I265 HydrophobicContact CH2-CB 4.46Å; W152-I265 HydrophobicContact CH2-CD1 3.28Å; W152-I265 HydrophobicContact CH2-CG1 4.42Å; W152-I265 HydrophobicContact CH2-CG2 4.49Å; W152-I265 HydrophobicContact CZ2-CD1 3.77Å; W152-I265 HydrophobicContact CZ3-CB 3.79Å; W152-I265 HydrophobicContact CZ3-CD1 3.46Å; W152-I265 VanDerWaalsContact CZ3-CD1 3.46Å; W152-I265 HydrophobicContact CZ3-CG1 4.2Å; W152-I265 HydrophobicContact CZ3-CG2 3.54Å; W152-L267 HydrophobicContact CE3-CD2 3.86Å; W152-L267 HydrophobicContact CZ3-CD2 4.25Å; W152-V278 HydrophobicContact CH2-CG1 4.04Å; W152-V278 HydrophobicContact CZ2-CB 4.16Å; W152-V278 HydrophobicContact CZ2-CG1 3.24Å; W152-V278 HydrophobicContact CZ2-CG2 4.42Å; W152-S279 PolarHBondContact NE1-O 3.32Å; W152-A281 PolarHBondContact N-O 2.98Å; W152-Y283 PolarHBondContact O-N 3.35Å
153V91.5Very high77Confident0 Ų037.8 Ų37.80%022%0.219CC..EExtended strand (participates in β ladder)trans-113.7119.6166176.40000108.1K141 L142 L145 I265 L266 L267 Y283K141-V153 HydrophobicContact CB-CG1 4.11Å; K141-V153 HydrophobicContact CB-CG2 4.09Å; L142-V153 HydrophobicContact CD2-CB 4.25Å; L142-V153 HydrophobicContact CD2-CG2 4.09Å; L145-V153 HydrophobicContact CD1-CG2 3.64Å; L145-V153 HydrophobicContact CD2-CG2 4.37Å; L145-V153 HydrophobicContact CG-CG2 3.96Å; V153-I265 PolarHBondContact N-O 3.1Å; V153-L266 HydrophobicContact CB-CD1 3.91Å; V153-L266 HydrophobicContact CG1-CD1 3.63Å; V153-L266 CarbonylContact O-C 3.57Å; V153-L266 WeakPolarHBondContact O-CA 3.36Å; V153-L267 PolarHBondContact O-N 3.5Å; V153-Y283 CarbonylContact C-O 3.59Å; V153-Y283 WeakPolarHBondContact CA-O 3.37Å; V153-Y283 HydrophobicContact CG2-CD2 4.22Å
154T89.6Confident76.9Confident1 Ų136 Ų361%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-108.8118.7-176.5-610000110.6F156 L267 T269 T275 Y283 V285T154-F156 HydrophobicContact CG2-CB 4.29Å; T154-F156 HydrophobicContact CG2-CD1 4.33Å; T154-L267 HydrophobicContact CG2-CD1 3.63Å; T154-L267 HydrophobicContact CG2-CG 4.23Å; T154-T269 HydrophobicContact CG2-CG2 3.85Å; T154-T275 WeakPolarHBondContact OG1-CG2 3.4Å; T154-Y283 PolarHBondContact N-O 3.41Å; T154-V285 PolarHBondContact O-N 2.53Å
155V89.8Confident76.9Confident0 Ų035.7 Ų35.70%021%0.213CC..EExtended strand (participates in β ladder)trans-103.3106.4172.4-178.20000108.2V138 K163 L266 L267 T268 T269 V285 V287V138-V155 HydrophobicContact CG1-CG2 4.45Å; V138-V155 HydrophobicContact CG2-CG2 3.97Å; V155-K163 HydrophobicContact CG1-CB 4.33Å; V155-L266 HydrophobicContact CG2-CD1 3.86Å; V155-L267 PolarHBondContact N-O 2.83Å; V155-T268 HydrophobicContact CB-CG2 4.47Å; V155-T268 WeakPolarHBondContact O-CA 3.32Å; V155-T269 PolarHBondContact O-N 3.31Å; V155-V285 WeakPolarHBondContact CA-O 3.21Å; V155-V287 HydrophobicContact CG1-CG2 3.42Å; V155-V287 VanDerWaalsContact CG1-CG2 3.42Å
156F84.8Confident77.2Confident24 Ų2436.2 Ų36.211%0.10522%0.216CC..EExtended strand (participates in β ladder)trans-119.8153.2-175.974.5-84.6000113.2T154 T269 R272 E284 V285 E286 V287T154-F156 HydrophobicContact CG2-CB 4.29Å; T154-F156 HydrophobicContact CG2-CD1 4.33Å; F156-T269 VanDerWaalsContact CA-O 3.22Å; F156-T269 WeakPolarHBondContact CA-O 3.48Å; F156-T269 HydrophobicContact CB-CG2 3.85Å; F156-R272 HydrophobicContact CD2-CB 4.13Å; F156-R272 HydrophobicContact CE1-CG 4.3Å; F156-R272 HydrophobicContact CE2-CB 4.2Å; F156-R272 HydrophobicContact CE2-CG 4.41Å; F156-R272 HydrophobicContact CG-CB 4.38Å; F156-R272 HydrophobicContact CZ-CG 4.23Å; F156-E284 HydrophobicContact CE1-CB 4.18Å; F156-V285 PolarHBondContact N-O 2.98Å; F156-E286 HydrophobicContact CE1-CB 3.99Å; F156-E286 HydrophobicContact CE2-CB 4.09Å; F156-E286 HydrophobicContact CE2-CG 3.76Å; F156-E286 HydrophobicContact CZ-CB 3.6Å; F156-E286 HydrophobicContact CZ-CG 3.79Å; F156-V287 PolarHBondContact O-N 3.2Å
157G75.3Confident78.1Confident12 Ų1231.6 Ų31.612%0.12419%0.194CC..EExtended strand (participates in β ladder)trans161.9177.8-177.900000114.1K163 T269G157-K163 PolarHBondContact O-NZ 3.47Å; G157-T269 PolarHBondContact N-O 3.29Å
158M69.3Low79.2Confident90 Ų9023.2 Ų23.244%0.44316%0.159SC..  trans-59.3155-173.7-74-174.166.900114.3G160 S161 K163 S289 Y364M158-G160 PolarHBondContact O-N 3.07Å; M158-S161 WeakPolarHBondContact O-CB 3.13Å; M158-S161 PolarHBondContact O-N 2.96Å; M158-S161 PolarHBondContact O-OG 3.36Å; M158-K163 PolarHBondContact O-NZ 3Å; M158-S289 WeakPolarHBondContact SD-CB 3.33Å; M158-S289 PolarHBondContact SD-OG 3.43Å; M158-Y364 HydrophobicContact CE-CD1 4.04Å; M158-Y364 HydrophobicContact CE-CE1 4.05Å
159A66.2Low80.4Confident26 Ų2621.6 Ų21.622%0.21515%0.149CC..THydrogen-bonded Turntrans-59.4135.5174.900000110.7S161 L445A159-S161 VanDerWaalsContact C-N 3.26Å; A159-S161 PolarHBondContact O-N 3.32Å; A159-L445 HydrophobicContact CB-CD1 4.39Å
160G66.3Low81.7Confident15 Ų1517.4 Ų17.416%0.15511%0.114CC..THydrogen-bonded Turntrans73.42.5-17800000116.3M158 G162 P326M158-G160 PolarHBondContact O-N 3.07Å; G160-G162 PolarHBondContact O-N 3.47Å; G160-P326 VanDerWaalsContact O-CD 3.29Å; G160-P326 WeakPolarHBondContact O-CD 3.35Å
161S73.3Confident82.5Confident3 Ų316.4 Ų16.42%0.02110%0.104CC..SBendtrans-69.5-10.5-17868.90000115.4R131 M158 A159 K163 P326R131-S161 PolarHBondContact NH1-O 3.17Å; R131-S161 PolarHBondContact NH2-O 3.44Å; R131-S161 VanDerWaalsContact NH2-O 3.12Å; M158-S161 WeakPolarHBondContact O-CB 3.13Å; M158-S161 PolarHBondContact O-N 2.96Å; M158-S161 PolarHBondContact O-OG 3.36Å; A159-S161 VanDerWaalsContact C-N 3.26Å; A159-S161 PolarHBondContact O-N 3.32Å; S161-K163 WeakPolarHBondContact OG-CG 3.25Å; S161-P326 WeakPolarHBondContact O-CG 3.38Å
162G75.3Confident82.6Confident20 Ų2019.2 Ų19.221%0.20611%0.114CC..SBendtrans99.618.8178.700000115.4G160 S164 V165 L166G160-G162 PolarHBondContact O-N 3.47Å; G162-S164 PolarHBondContact O-N 2.96Å; G162-V165 PolarHBondContact O-N 2.64Å; G162-L166 WeakPolarHBondContact O-CB 3.38Å; G162-L166 PolarHBondContact O-N 2.7Å
163K84.4Confident82.4Confident12 Ų1221.1 Ų21.15%0.05213%0.125CC..Hα-helixtrans-53.9-51.7-178.5-56.8-177-67.6-810113.7V155 G157 M158 S161 V165 L166 A167 T268 T269 V287V155-K163 HydrophobicContact CG1-CB 4.33Å; G157-K163 PolarHBondContact O-NZ 3.47Å; M158-K163 PolarHBondContact O-NZ 3Å; S161-K163 WeakPolarHBondContact OG-CG 3.25Å; K163-V165 VanDerWaalsContact C-N 3.31Å; K163-V165 PolarHBondContact O-N 3.14Å; K163-L166 WeakPolarHBondContact O-CB 3.34Å; K163-L166 PolarHBondContact O-N 2.89Å; K163-L166 VanDerWaalsContact O-N 3.11Å; K163-A167 PolarHBondContact O-N 3.29Å; K163-T268 HydrophobicContact CB-CG2 4.48Å; K163-T269 VanDerWaalsContact CD-O 3.24Å; K163-T269 WeakPolarHBondContact CD-O 3.4Å; K163-T269 WeakPolarHBondContact CE-O 3.24Å; K163-V287 HydrophobicContact CG-CB 4.41Å; K163-V287 HydrophobicContact CG-CG2 4.43Å
164S84.1Confident81.9Confident39 Ų3924.3 Ų24.327%0.27314%0.14SC..Hα-helixtrans-62.6-39.7-178.5-43.40000111.5G162 L166 A167 A168 W187 D248G162-S164 PolarHBondContact O-N 2.96Å; S164-L166 VanDerWaalsContact C-N 3.33Å; S164-L166 PolarHBondContact O-N 3.36Å; S164-A167 PolarHBondContact O-N 2.99Å; S164-A168 WeakPolarHBondContact O-CB 3.45Å; S164-A168 PolarHBondContact O-N 3.41Å; S164-W187 WeakPolarHBondContact O-CH2 3.24Å; S164-D248 VanDerWaalsContact CB-OD1 3.23Å; S164-D248 WeakPolarHBondContact CB-OD1 3.4Å; S164-D248 PolarHBondContact OG-OD1 2.8Å; S164-D248 PolarHBondContact OG-OD2 3Å
165V85.1Confident81.5Confident60 Ų6033 Ų3336%0.36417%0.173SC..Hα-helixtrans-65-39.7175.1-1760000110.9P125 F128 G162 K163 A168 E169P125-V165 HydrophobicContact CG-CG1 4.23Å; F128-V165 HydrophobicContact CD2-CG1 4Å; F128-V165 HydrophobicContact CE2-CG1 3.84Å; G162-V165 PolarHBondContact O-N 2.64Å; K163-V165 VanDerWaalsContact C-N 3.31Å; K163-V165 PolarHBondContact O-N 3.14Å; V165-A168 PolarHBondContact O-N 3.32Å; V165-E169 WeakPolarHBondContact O-CB 3.31Å; V165-E169 PolarHBondContact O-N 3.49Å
166L86.9Confident81.2Confident11 Ų1133.6 Ų33.66%0.05818%0.176CC..Hα-helixtrans-67.8-41.9178.6-162.9144.6000111.9L134 V138 G162 K163 S164 E169 A170L134-L166 HydrophobicContact CB-CD1 3.71Å; L134-L166 HydrophobicContact CD1-CD1 3.96Å; L134-L166 HydrophobicContact CG-CD1 4.49Å; V138-L166 HydrophobicContact CB-CD2 4.31Å; V138-L166 HydrophobicContact CG2-CD2 3.48Å; V138-L166 VanDerWaalsContact CG2-CD2 3.48Å; G162-L166 WeakPolarHBondContact O-CB 3.38Å; G162-L166 PolarHBondContact O-N 2.7Å; K163-L166 WeakPolarHBondContact O-CB 3.34Å; K163-L166 PolarHBondContact O-N 2.89Å; K163-L166 VanDerWaalsContact O-N 3.11Å; S164-L166 VanDerWaalsContact C-N 3.33Å; S164-L166 PolarHBondContact O-N 3.36Å; L166-E169 PolarHBondContact O-N 3.31Å; L166-A170 WeakPolarHBondContact O-CB 3.19Å; L166-A170 PolarHBondContact O-N 3Å
167A88.3Confident81.1Confident0 Ų032.5 Ų32.50%017%0.171CC..Hα-helixtrans-62.9-45174.100000111.8K163 S164 E169 A170 W187 L266 T268K163-A167 PolarHBondContact O-N 3.29Å; S164-A167 PolarHBondContact O-N 2.99Å; A167-E169 VanDerWaalsContact C-N 3.33Å; A167-E169 PolarHBondContact O-N 2.86Å; A167-A170 PolarHBondContact O-N 2.74Å; A167-W187 HydrophobicContact CB-CH2 4.33Å; A167-W187 HydrophobicContact CB-CZ3 4.29Å; A167-L266 HydrophobicContact CB-CD2 3.99Å; A167-T268 HydrophobicContact CB-CG2 3.69Å
168A87.4Confident81.4Confident5 Ų536.5 Ų36.54%0.04119%0.187CC..Hα-helixtrans-64.8-34.4177.100000112.8V121 P122 S164 V165 V171 R172 W187V121-A168 HydrophobicContact CG1-CB 3.94Å; P122-A168 HydrophobicContact CG-CB 4.12Å; S164-A168 WeakPolarHBondContact O-CB 3.45Å; S164-A168 PolarHBondContact O-N 3.41Å; V165-A168 PolarHBondContact O-N 3.32Å; A168-V171 VanDerWaalsContact O-CG2 3.3Å; A168-V171 WeakPolarHBondContact O-CG2 3.48Å; A168-R172 WeakPolarHBondContact O-CG 3.28Å; A168-W187 HydrophobicContact CB-CH2 4.28Å; A168-W187 HydrophobicContact CB-CZ3 3.99Å
169E87.8Confident81.9Confident19 Ų1937.8 Ų37.89%0.08919%0.191CC..Hα-helixtrans-79.4-29.2177.1-171.566.7-156.800113.1R124 F128 L135 R139 V165 L166 A167 V171 R172R124-E169 IonicContact CZ-OE1 2.79Å; R124-E169 IonicContact CZ-OE2 2.69Å; R124-E169 IonicContact NE-OE1 3.35Å; R124-E169 IonicContact NE-OE2 3.89Å; R124-E169 PolarHBondContact NE-OE2 3.21Å; R124-E169 IonicContact NH2-OE1 2.96Å; R124-E169 PolarHBondContact NH2-OE1 3.09Å; R124-E169 IonicContact NH2-OE2 2.82Å; R124-E169 PolarHBondContact NH2-OE2 3.21Å; F128-E169 HydrophobicContact CE1-CG 4.48Å; F128-E169 HydrophobicContact CZ-CB 4.39Å; F128-E169 HydrophobicContact CZ-CG 3.82Å; L135-E169 HydrophobicContact CD1-CB 3.95Å; L135-E169 HydrophobicContact CD1-CG 3.36Å; L135-E169 HydrophobicContact CG-CG 4.45Å; R139-E169 PolarHBondContact NH2-O 3.48Å; V165-E169 WeakPolarHBondContact O-CB 3.31Å; V165-E169 PolarHBondContact O-N 3.49Å; L166-E169 PolarHBondContact O-N 3.31Å; A167-E169 VanDerWaalsContact C-N 3.33Å; A167-E169 PolarHBondContact O-N 2.86Å; E169-V171 VanDerWaalsContact C-N 3.26Å; E169-V171 PolarHBondContact O-N 3.28Å; E169-R172 PolarHBondContact O-N 3.03Å; E169-R172 WeakPolarHBondContact OE2-CD 3.23Å; E169-R172 IonicContact OE2-NE 3.44Å
170A87.4Confident82.5Confident0 Ų036.7 Ų36.70%018%0.182CC..Hα-helixtrans-58.6-41.5175.900000111.6V138 R139 L142 L166 A167V138-A170 HydrophobicContact CB-CB 4.19Å; V138-A170 HydrophobicContact CG1-CB 3.58Å; R139-A170 PolarHBondContact NE-O 2.93Å; L142-A170 HydrophobicContact CD1-CB 4.29Å; L166-A170 WeakPolarHBondContact O-CB 3.19Å; L166-A170 PolarHBondContact O-N 3Å; A167-A170 PolarHBondContact O-N 2.74Å
171V87.6Confident83.4Confident1 Ų136 Ų361%0.00618%0.175CC..THydrogen-bonded Turntrans-83.3-4.1-178.7-60.20000114.8L116 V121 L142 A168 E169 D173 I177 V185 L244 I246 L266L116-V171 HydrophobicContact CD2-CG2 4.02Å; V121-V171 HydrophobicContact CG1-CG2 4.28Å; L142-V171 HydrophobicContact CD1-CG1 4.48Å; A168-V171 VanDerWaalsContact O-CG2 3.3Å; A168-V171 WeakPolarHBondContact O-CG2 3.48Å; E169-V171 VanDerWaalsContact C-N 3.26Å; E169-V171 PolarHBondContact O-N 3.28Å; V171-D173 PolarHBondContact O-N 2.63Å; V171-I177 WeakPolarHBondContact O-CD1 3.45Å; V171-I177 WeakPolarHBondContact O-CG1 3.46Å; V171-V185 HydrophobicContact CB-CG1 4.48Å; V171-V185 HydrophobicContact CB-CG2 4.48Å; V171-V185 HydrophobicContact CG1-CG1 4.47Å; V171-V185 HydrophobicContact CG2-CG1 4.37Å; V171-L244 HydrophobicContact CG1-CD2 3.62Å; V171-I246 HydrophobicContact CG1-CD1 3.91Å; V171-I246 HydrophobicContact CG2-CD1 4.03Å; V171-L266 HydrophobicContact CG1-CD2 4.39Å
172R86.3Confident83.7Confident59 Ų5937.3 Ų37.322%0.22318%0.183CC..THydrogen-bonded Turntrans-78-2.1174.8-77.3169.3-173-89.5-5.2113.9L116 P122 A168 E169L116-R172 HydrophobicContact CD1-CB 4.38Å; L116-R172 HydrophobicContact CD1-CG 3.62Å; P122-R172 PolarHBondContact O-NH2 3.43Å; A168-R172 WeakPolarHBondContact O-CG 3.28Å; E169-R172 PolarHBondContact O-N 3.03Å; E169-R172 WeakPolarHBondContact OE2-CD 3.23Å; E169-R172 IonicContact OE2-NE 3.44Å
173D84.2Confident83.8Confident46 Ų4639.8 Ų39.825%0.24619%0.192CC..  trans-75.5125.3175.9-157.6-13.4000111.3R139 V171 R175 L176 I177R139-D173 WeakPolarHBondContact CD-OD2 3.28Å; R139-D173 VanDerWaalsContact CZ-CB 3.46Å; R139-D173 IonicContact CZ-OD2 3.21Å; R139-D173 VanDerWaalsContact CZ-OD2 3.26Å; R139-D173 IonicContact NE-OD2 3.01Å; R139-D173 PolarHBondContact NE-OD2 3.3Å; R139-D173 IonicContact NH1-OD2 4Å; R139-D173 PolarHBondContact NH1-OD2 3.25Å; V171-D173 PolarHBondContact O-N 2.63Å; D173-R175 VanDerWaalsContact C-N 3.34Å; D173-R175 PolarHBondContact O-N 3.02Å; D173-L176 HydrophobicContact CB-CB 4.05Å; D173-L176 PolarHBondContact O-N 3.14Å; D173-I177 PolarHBondContact O-N 2.95Å
174Q80.6Confident83.7Confident67 Ų6739.4 Ų39.431%0.31319%0.192SC..Hα-helixtrans-61.2-43.4-179.1-177.4-178.5-9.700111.7S108 V112 L176 I177 E178S108-Q174 VanDerWaalsContact CB-NE2 3.31Å; S108-Q174 PolarHBondContact OG-NE2 2.98Å; S108-Q174 PolarHBondContact OG-OE1 3.02Å; V112-Q174 HydrophobicContact CG2-CB 4.24Å; V112-Q174 HydrophobicContact CG2-CG 4.13Å; Q174-L176 VanDerWaalsContact C-N 3.3Å; Q174-L176 PolarHBondContact O-N 2.99Å; Q174-I177 PolarHBondContact O-N 3.47Å; Q174-E178 HydrophobicContact CG-CG 4.3Å; Q174-E178 WeakPolarHBondContact CG-OE1 3.42Å; Q174-E178 PolarHBondContact NE2-OE1 2.91Å; Q174-E178 PolarHBondContact O-N 2.69Å
175R82.2Confident83.9Confident184 Ų18437.6 Ų37.669%0.69418%0.179SC*.Hα-helixtrans-60.9-43-177.6-67.8-177-178.3169.80.9111.5D173 E178 E179D173-R175 VanDerWaalsContact C-N 3.34Å; D173-R175 PolarHBondContact O-N 3.02Å; R175-E178 PolarHBondContact O-N 3.37Å; R175-E179 VanDerWaalsContact O-CB 3.29Å; R175-E179 WeakPolarHBondContact O-CB 3.45Å; R175-E179 WeakPolarHBondContact O-CG 3.4Å; R175-E179 PolarHBondContact O-N 2.95Å
176L83.1Confident84.1Confident12 Ų1235.4 Ų35.46%0.06317%0.165CC..Hα-helixtrans-65.2-42-180-169.975.2000111.7L142 D173 Q174 C180 F181L142-L176 HydrophobicContact CB-CD1 4.12Å; L142-L176 HydrophobicContact CB-CD2 4.3Å; L142-L176 HydrophobicContact CD1-CD2 3.88Å; D173-L176 HydrophobicContact CB-CB 4.05Å; D173-L176 PolarHBondContact O-N 3.14Å; Q174-L176 VanDerWaalsContact C-N 3.3Å; Q174-L176 PolarHBondContact O-N 2.99Å; L176-C180 HydrophobicContact CD1-CB 4.29Å; L176-C180 WeakPolarHBondContact O-CA 3.45Å; L176-C180 VanDerWaalsContact O-CB 3.22Å; L176-C180 WeakPolarHBondContact O-CB 3.15Å; L176-C180 PolarHBondContact O-N 3.5Å; L176-F181 HydrophobicContact CD1-CE2 4.3Å; L176-F181 HydrophobicContact CD2-CE2 4.28Å; L176-F181 HydrophobicContact CG-CD2 4.19Å; L176-F181 HydrophobicContact CG-CE2 4.02Å; L176-F181 PolarHBondContact O-N 2.89Å
177I82.4Confident84.2Confident1 Ų135.1 Ų35.11%0.00516%0.163CC..Hα-helixtrans-65.8-49177.9-72.4167.9000110.9V112 M115 L116 V171 D173 Q174 F181 P182V112-I177 HydrophobicContact CB-CD1 4.36Å; V112-I177 HydrophobicContact CG1-CD1 3.57Å; V112-I177 HydrophobicContact CG2-CD1 4.17Å; M115-I177 HydrophobicContact CE-CG2 3.63Å; L116-I177 HydrophobicContact CD1-CD1 4.45Å; L116-I177 HydrophobicContact CD2-CD1 4.24Å; L116-I177 HydrophobicContact CG-CD1 4.3Å; V171-I177 WeakPolarHBondContact O-CD1 3.45Å; V171-I177 WeakPolarHBondContact O-CG1 3.46Å; D173-I177 PolarHBondContact O-N 2.95Å; Q174-I177 PolarHBondContact O-N 3.47Å; I177-F181 CarbonylContact O-C 2.9Å; I177-F181 WeakPolarHBondContact O-CA 3.46Å; I177-F181 PolarHBondContact O-N 3.36Å; I177-F181 VanDerWaalsContact O-N 3.08Å; I177-P182 WeakPolarHBondContact O-CA 3.23Å; I177-P182 VanDerWaalsContact O-N 3.12Å
178E80.8Confident84.2Confident97 Ų9735.4 Ų35.445%0.45316%0.164SC..Hα-helixtrans-68.5-40.4-175-70.6177.7-178.400112.4Q174 R175Q174-E178 HydrophobicContact CG-CG 4.3Å; Q174-E178 WeakPolarHBondContact CG-OE1 3.42Å; Q174-E178 PolarHBondContact NE2-OE1 2.91Å; Q174-E178 PolarHBondContact O-N 2.69Å; R175-E178 PolarHBondContact O-N 3.37Å
179E79.8Confident84Confident116 Ų11636.4 Ų36.454%0.54217%0.171SC..Hα-helixtrans-87.2-39.6-175.1-64.1-179.7170.200113.1Q146 R175Q146-E179 PolarHBondContact NE2-O 3.24Å; R175-E179 VanDerWaalsContact O-CB 3.29Å; R175-E179 WeakPolarHBondContact O-CB 3.45Å; R175-E179 WeakPolarHBondContact O-CG 3.4Å; R175-E179 PolarHBondContact O-N 2.95Å
180C79.5Confident83.6Confident4 Ų435.5 Ų35.53%0.02717%0.167CC..Hα-helixtrans-102.2-36.7-173.1-60.20000113.1D143 L176D143-C180 PolarHBondContact OD1-SG 3.38Å; D143-C180 VanDerWaalsContact OD1-SG 3.38Å; L176-C180 HydrophobicContact CD1-CB 4.29Å; L176-C180 WeakPolarHBondContact O-CA 3.45Å; L176-C180 VanDerWaalsContact O-CB 3.22Å; L176-C180 WeakPolarHBondContact O-CB 3.15Å; L176-C180 PolarHBondContact O-N 3.5Å
181F85.4Confident83Confident1 Ų135.7 Ų35.70%0.00417%0.168CC..  trans-132.456.7-170.8-50-66.8000114.6M115 L142 L176 I177 N183 G184 R242 L244 R264M115-F181 WeakPolarHBondContact CE-O 3.18Å; L142-F181 HydrophobicContact CB-CE2 4.41Å; L142-F181 HydrophobicContact CD2-CZ 4.42Å; L176-F181 HydrophobicContact CD1-CE2 4.3Å; L176-F181 HydrophobicContact CD2-CE2 4.28Å; L176-F181 HydrophobicContact CG-CD2 4.19Å; L176-F181 HydrophobicContact CG-CE2 4.02Å; L176-F181 PolarHBondContact O-N 2.89Å; I177-F181 CarbonylContact O-C 2.9Å; I177-F181 WeakPolarHBondContact O-CA 3.46Å; I177-F181 PolarHBondContact O-N 3.36Å; I177-F181 VanDerWaalsContact O-N 3.08Å; F181-N183 PolarHBondContact O-N 3.04Å; F181-N183 VanDerWaalsContact O-N 3.09Å; F181-G184 PolarHBondContact O-N 3.23Å; F181-R242 VanDerWaalsContact CA-O 3.3Å; F181-R242 WeakPolarHBondContact CA-O 3.21Å; F181-L244 HydrophobicContact CB-CB 4.5Å; F181-L244 HydrophobicContact CD1-CB 3.62Å; F181-L244 HydrophobicContact CD2-CB 4.29Å; F181-L244 HydrophobicContact CD2-CD2 4.28Å; F181-L244 HydrophobicContact CE1-CB 3.79Å; F181-L244 HydrophobicContact CE1-CD1 3.97Å; F181-L244 HydrophobicContact CE1-CG 4.31Å; F181-L244 HydrophobicContact CE2-CB 4.46Å; F181-L244 HydrophobicContact CE2-CD2 4Å; F181-L244 HydrophobicContact CG-CB 3.88Å; F181-L244 HydrophobicContact CZ-CB 4.22Å; F181-L244 HydrophobicContact CZ-CD1 3.96Å; F181-L244 HydrophobicContact CZ-CD2 4.15Å; F181-L244 HydrophobicContact CZ-CG 4.34Å; F181-R264 HydrophobicContact CE1-CB 4.17Å
182P79.6Confident82.2Confident29 Ų2941.9 Ų41.919%0.18820%0.198CC..THydrogen-bonded Turntrans-66.3-19.8-170.226.1-35.2000114I177I177-P182 WeakPolarHBondContact O-CA 3.23Å; I177-P182 VanDerWaalsContact O-N 3.12Å
183N77.1Confident81.3Confident72 Ų7240.2 Ų40.239%0.38519%0.193SC..THydrogen-bonded Turntrans-102.31.6-172.1-80.6-12.2000115F181 P241F181-N183 PolarHBondContact O-N 3.04Å; F181-N183 VanDerWaalsContact O-N 3.09Å; N183-P241 VanDerWaalsContact CB-O 3.3Å; N183-P241 WeakPolarHBondContact CB-O 3.43Å; N183-P241 WeakPolarHBondContact ND2-CD 3.32Å; N183-P241 WeakPolarHBondContact ND2-CG 3.41Å; N183-P241 PolarHBondContact ND2-O 2.92Å
184G81.8Confident80.4Confident5 Ų543.2 Ų43.25%0.05221%0.209CC..  trans141.7150.8176.600000114.1M115 F181 S243 L244M115-G184 VanDerWaalsContact CE-N 3.28Å; F181-G184 PolarHBondContact O-N 3.23Å; G184-S243 VanDerWaalsContact O-CA 3.24Å; G184-S243 WeakPolarHBondContact O-CA 3.1Å; G184-S243 WeakPolarHBondContact O-CB 3.45Å; G184-L244 PolarHBondContact O-N 2.92Å
185V88.4Confident79.6Confident1 Ų143.5 Ų43.51%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-116.2128.8159.4179.90000106.7M115 L116 G119 V121 V171 L244 I246M115-V185 HydrophobicContact CE-CG2 4.2Å; M115-V185 HydrophobicContact SD-CB 4.34Å; M115-V185 HydrophobicContact SD-CG2 4.27Å; M115-V185 PolarHBondContact SD-N 3.27Å; M115-V185 VanDerWaalsContact SD-N 3.37Å; L116-V185 HydrophobicContact CD2-CB 4.41Å; G119-V185 CarbonylContact C-O 3.54Å; G119-V185 WeakPolarHBondContact CA-O 3.47Å; V121-V185 HydrophobicContact CG2-CB 4.48Å; V121-V185 HydrophobicContact CG2-CG1 3.97Å; V171-V185 HydrophobicContact CB-CG1 4.48Å; V171-V185 HydrophobicContact CB-CG2 4.48Å; V171-V185 HydrophobicContact CG1-CG1 4.47Å; V171-V185 HydrophobicContact CG2-CG1 4.37Å; V185-L244 CarbonylContact C-O 3.57Å; V185-L244 WeakPolarHBondContact CA-O 3.29Å; V185-L244 HydrophobicContact CG1-CB 4.43Å; V185-L244 HydrophobicContact CG1-CD2 4.31Å; V185-L244 HydrophobicContact CG2-CB 4.32Å; V185-I246 HydrophobicContact CG1-CD1 3.37Å; V185-I246 HydrophobicContact CG1-CG1 3.87Å
186H89.6Confident78.9Confident14 Ų1435.8 Ų35.87%0.06518%0.183CC..EExtended strand (participates in β ladder)trans-116.6126.8-179.5-61.4-62.3000110.3G119 L209 Y240 L244 L245 I246G119-H186 CarbonylContact O-C 3.53Å; G119-H186 WeakPolarHBondContact O-CA 3.33Å; H186-L209 WeakPolarHBondContact CE1-CD2 3.47Å; H186-Y240 AromaticContact NE2-CD1 3.96Å; H186-Y240 AromaticContact NE2-CG 3.95Å; H186-L244 PolarHBondContact N-O 2.86Å; H186-L245 HydrophobicContact CB-CD1 3.99Å; H186-L245 CarbonylContact O-C 3.57Å; H186-I246 PolarHBondContact O-N 3.3Å
187W89.1Confident78.3Confident4 Ų436.9 Ų36.92%0.01519%0.189CC..EExtended strand (participates in β ladder)trans-107130.2-178.3-174.4-77.4000112G119 G120 V121 P122 S164 A167 A168 S189 R208 I246 D248G119-W187 PolarHBondContact O-N 2.94Å; G120-W187 VanDerWaalsContact O-CB 3.31Å; G120-W187 WeakPolarHBondContact O-CB 3.19Å; V121-W187 HydrophobicContact CG1-CE3 4.3Å; V121-W187 HydrophobicContact CG2-CB 4.25Å; P122-W187 VanDerWaalsContact CD-CD2 3.48Å; P122-W187 HydrophobicContact CG-CD2 4.29Å; P122-W187 HydrophobicContact CG-CE3 4.49Å; P122-W187 HydrophobicContact CG-CH2 4.14Å; P122-W187 HydrophobicContact CG-CZ2 3.87Å; P122-W187 HydrophobicContact CG-CZ3 4.43Å; S164-W187 WeakPolarHBondContact O-CH2 3.24Å; A167-W187 HydrophobicContact CB-CH2 4.33Å; A167-W187 HydrophobicContact CB-CZ3 4.29Å; A168-W187 HydrophobicContact CB-CH2 4.28Å; A168-W187 HydrophobicContact CB-CZ3 3.99Å; W187-S189 PolarHBondContact NE1-OG 3.24Å; W187-R208 PolarHBondContact O-NH1 2.8Å; W187-I246 HydrophobicContact CD2-CB 4.34Å; W187-I246 HydrophobicContact CD2-CG2 4.18Å; W187-I246 HydrophobicContact CE3-CB 3.78Å; W187-I246 HydrophobicContact CE3-CD1 3.71Å; W187-I246 HydrophobicContact CE3-CG1 4.34Å; W187-I246 HydrophobicContact CE3-CG2 3.52Å; W187-I246 HydrophobicContact CH2-CG2 4.14Å; W187-I246 HydrophobicContact CZ3-CB 4.25Å; W187-I246 HydrophobicContact CZ3-CD1 4.02Å; W187-I246 HydrophobicContact CZ3-CG2 3.5Å; W187-I246 VanDerWaalsContact CZ3-CG2 3.5Å; W187-D248 HydrophobicContact CH2-CB 4.47Å; W187-D248 HydrophobicContact CZ2-CB 3.62Å; W187-D248 VanDerWaalsContact CZ2-CG 3.46Å; W187-D248 WeakPolarHBondContact CZ2-OD2 3.44Å
188L87.9Confident78.2Confident7 Ų736.9 Ų36.94%0.03719%0.189CC..EExtended strand (participates in β ladder)trans-130.2118.4176-173.266.5000111.2I190 K201 L205 I246 L247 D248 F259L188-I190 HydrophobicContact CD2-CD1 4.44Å; L188-I190 HydrophobicContact CD2-CG1 4.09Å; L188-I190 HydrophobicContact CG-CG1 4.16Å; L188-K201 HydrophobicContact CD1-CB 4.34Å; L188-L205 HydrophobicContact CD1-CB 4.33Å; L188-L205 HydrophobicContact CD2-CD2 4.22Å; L188-I246 PolarHBondContact N-O 2.99Å; L188-L247 HydrophobicContact CB-CD2 4.15Å; L188-L247 HydrophobicContact CD2-CD2 4.18Å; L188-D248 PolarHBondContact O-N 2.82Å; L188-F259 HydrophobicContact CD2-CE1 3.78Å; L188-F259 HydrophobicContact CD2-CZ 3.51Å
189S83.2Confident78Confident26 Ų2632.5 Ų32.518%0.18217%0.169CC..EExtended strand (participates in β ladder)trans-87.7109.9171.9-59.80000110.4W187 K201W187-S189 PolarHBondContact NE1-OG 3.24Å; S189-K201 WeakPolarHBondContact O-CD 3.41Å; S189-K201 PolarHBondContact O-NZ 3.3Å
190I79.3Confident77.9Confident0 Ų028 Ų280%015%0.149CC..EExtended strand (participates in β ladder)trans-92.2-70.3-177.9-60.9176.3000108.8L188 L193 L198 L247 D248 I250 V255 F259L188-I190 HydrophobicContact CD2-CD1 4.44Å; L188-I190 HydrophobicContact CD2-CG1 4.09Å; L188-I190 HydrophobicContact CG-CG1 4.16Å; I190-L193 HydrophobicContact CG2-CD1 3.8Å; I190-L193 HydrophobicContact CG2-CG 4.3Å; I190-L193 WeakPolarHBondContact O-CD1 3.14Å; I190-L193 WeakPolarHBondContact O-CG 3.25Å; I190-L198 HydrophobicContact CG2-CD1 4.5Å; I190-L247 HydrophobicContact CD1-CB 4.1Å; I190-L247 HydrophobicContact CD1-CD1 4.36Å; I190-L247 HydrophobicContact CD1-CD2 4.01Å; I190-L247 HydrophobicContact CD1-CG 4.38Å; I190-D248 PolarHBondContact N-O 3Å; I190-D248 VanDerWaalsContact N-O 3.1Å; I190-I250 HydrophobicContact CD1-CD1 4.34Å; I190-I250 HydrophobicContact CD1-CG1 4.13Å; I190-V255 HydrophobicContact CD1-CG1 4.22Å; I190-V255 HydrophobicContact CG2-CG1 3.87Å; I190-F259 HydrophobicContact CD1-CD2 4.21Å; I190-F259 HydrophobicContact CD1-CE2 3.48Å; I190-F259 VanDerWaalsContact CD1-CE2 3.48Å; I190-F259 HydrophobicContact CD1-CZ 3.99Å
191G76.1Confident78Confident3 Ų329.1 Ų29.13%0.03115%0.154CC..EExtended strand (participates in β ladder)trans78.6-161.8-173.600000113.6L193 D248 D249 W251 D397G191-L193 PolarHBondContact O-N 2.92Å; G191-D248 PolarHBondContact N-O 2.94Å; G191-D249 CarbonylContact C-O 3.32Å; G191-D249 WeakPolarHBondContact CA-O 3.14Å; G191-D249 PolarHBondContact N-O 3.46Å; G191-D249 VanDerWaalsContact N-O 3.14Å; G191-W251 VanDerWaalsContact C-CD1 3.44Å; G191-D397 VanDerWaalsContact CA-OD2 3.26Å; G191-D397 WeakPolarHBondContact CA-OD2 3.37Å
192Q70.5Confident78Confident132 Ų13229.1 Ų29.162%0.61715%0.154SC*.SBendtrans-84.9100.5177.2-172.4177.25.800109.7W251 D397Q192-W251 HydrophobicContact CB-CD2 4.23Å; Q192-W251 HydrophobicContact CB-CG 4.03Å; Q192-W251 HydrophobicContact CG-CG 4.39Å; Q192-D397 PolarHBondContact N-OD2 3.47Å
193L67.1Low78Confident24 Ų2428.4 Ų28.413%0.12615%0.148CC..  trans-125.7149-173.2-61.9-179000113.1I190 G191 D197 K201I190-L193 HydrophobicContact CG2-CD1 3.8Å; I190-L193 HydrophobicContact CG2-CG 4.3Å; I190-L193 WeakPolarHBondContact O-CD1 3.14Å; I190-L193 WeakPolarHBondContact O-CG 3.25Å; G191-L193 PolarHBondContact O-N 2.92Å; L193-D197 HydrophobicContact CB-CB 4.2Å; L193-D197 HydrophobicContact CD1-CB 4.48Å; L193-D197 HydrophobicContact CD2-CB 3.93Å; L193-D197 HydrophobicContact CG-CB 4.44Å; L193-K201 HydrophobicContact CD1-CG 3.74Å
194D64.6Low78.2Confident109 Ų10928 Ų2858%0.58315%0.151SC*.  trans-81.1166.1164.2-69-28.7000111.3S196 D197 L198D194-S196 VanDerWaalsContact C-N 3.29Å; D194-S196 PolarHBondContact O-N 3.27Å; D194-D197 PolarHBondContact O-N 3.16Å; D194-L198 PolarHBondContact O-N 2.65Å
195K65.1Low78.3Confident73 Ų7327.8 Ų27.832%0.31715%0.148SC..Hα-helixtrans-56-37.9-177.3-74.5-177.4173.9178.40113.3L199 L225 A640 E664K195-L199 PolarHBondContact O-N 3.05Å; K195-L225 HydrophobicContact CB-CD1 4Å; K195-L225 HydrophobicContact CG-CD1 4.31Å; K195-A640 PolarHBondContact NZ-O 3.31Å; K195-E664 IonicContact NZ-OE1 3.74Å; K195-E664 PolarHBondContact NZ-OE1 3.07Å
196S66.4Low78Confident21 Ų2127.8 Ų27.815%0.14715%0.148CC..Hα-helixtrans-69.3-40.1179.450.50000112.4D194 L199 V200 N529D194-S196 VanDerWaalsContact C-N 3.29Å; D194-S196 PolarHBondContact O-N 3.27Å; S196-L199 WeakPolarHBondContact O-CB 3.5Å; S196-L199 PolarHBondContact O-N 3.44Å; S196-V200 PolarHBondContact O-N 3.18Å; S196-N529 PolarHBondContact OG-ND2 3.06Å
197D70.8Confident77.5Confident35 Ų3532.2 Ų32.219%0.18717%0.167CC..Hα-helixtrans-71.8-33.7178-70.2-42.2000112.3L193 D194 L199 V200 K201 R490L193-D197 HydrophobicContact CB-CB 4.2Å; L193-D197 HydrophobicContact CD1-CB 4.48Å; L193-D197 HydrophobicContact CD2-CB 3.93Å; L193-D197 HydrophobicContact CG-CB 4.44Å; D194-D197 PolarHBondContact O-N 3.16Å; D197-L199 VanDerWaalsContact C-N 3.3Å; D197-L199 PolarHBondContact O-N 3.31Å; D197-V200 PolarHBondContact O-N 3.29Å; D197-K201 WeakPolarHBondContact O-CG 3.41Å; D197-K201 PolarHBondContact O-N 3.26Å; D197-R490 VanDerWaalsContact CG-NH2 3.33Å; D197-R490 IonicContact OD1-CZ 3.96Å; D197-R490 IonicContact OD1-NE 2.66Å; D197-R490 IonicContact OD1-NH2 2.99Å; D197-R490 PolarHBondContact OD1-NH2 3.39Å
198L79.1Confident77Confident2 Ų235.2 Ų35.21%0.0118%0.179CC..Hα-helixtrans-58.3-43.3171.617861.8000111.5I190 D194 V200 K201 I202 L225 V255 V258 F259I190-L198 HydrophobicContact CG2-CD1 4.5Å; D194-L198 PolarHBondContact O-N 2.65Å; L198-V200 VanDerWaalsContact C-N 3.3Å; L198-V200 PolarHBondContact O-N 3.35Å; L198-K201 WeakPolarHBondContact O-CB 3.44Å; L198-K201 PolarHBondContact O-N 3.3Å; L198-K201 VanDerWaalsContact O-N 3.16Å; L198-I202 HydrophobicContact CD1-CD1 4.12Å; L198-I202 HydrophobicContact CD1-CG1 4.3Å; L198-I202 HydrophobicContact CG-CD1 3.97Å; L198-I202 WeakPolarHBondContact O-CG1 3.41Å; L198-I202 PolarHBondContact O-N 2.91Å; L198-L225 HydrophobicContact CB-CD2 4.32Å; L198-L225 HydrophobicContact CD2-CD2 4.01Å; L198-L225 HydrophobicContact CG-CD2 3.97Å; L198-V255 HydrophobicContact CD1-CG1 3.7Å; L198-V255 HydrophobicContact CD2-CB 4.21Å; L198-V255 HydrophobicContact CD2-CG1 3.85Å; L198-V255 HydrophobicContact CD2-CG2 4.18Å; L198-V255 HydrophobicContact CG-CG1 4.38Å; L198-V258 HydrophobicContact CD2-CB 4.21Å; L198-V258 HydrophobicContact CD2-CG2 3.81Å; L198-F259 HydrophobicContact CD1-CE2 3.82Å; L198-F259 HydrophobicContact CD1-CZ 4.05Å
199L78.1Confident76.6Confident4 Ų435 Ų352%0.02118%0.178CC..Hα-helixtrans-57.1-45.7177.9178.263.3000111K195 S196 D197 K201 I202 Q203 T223 S224 L225 A228 A525K195-L199 PolarHBondContact O-N 3.05Å; S196-L199 WeakPolarHBondContact O-CB 3.5Å; S196-L199 PolarHBondContact O-N 3.44Å; D197-L199 VanDerWaalsContact C-N 3.3Å; D197-L199 PolarHBondContact O-N 3.31Å; L199-K201 VanDerWaalsContact C-N 3.31Å; L199-K201 PolarHBondContact O-N 3.29Å; L199-I202 PolarHBondContact O-N 3.47Å; L199-Q203 HydrophobicContact CD1-CG 4.37Å; L199-Q203 HydrophobicContact CG-CG 4.33Å; L199-Q203 WeakPolarHBondContact O-CB 3.46Å; L199-Q203 VanDerWaalsContact O-CG 3.26Å; L199-Q203 WeakPolarHBondContact O-CG 3.15Å; L199-Q203 PolarHBondContact O-N 3.11Å; L199-T223 WeakPolarHBondContact CD2-O 3.38Å; L199-S224 WeakPolarHBondContact CD1-O 3.23Å; L199-L225 HydrophobicContact CB-CD2 3.86Å; L199-L225 HydrophobicContact CB-CG 4.38Å; L199-L225 HydrophobicContact CD1-CD2 4.25Å; L199-A228 HydrophobicContact CD1-CB 3.94Å; L199-A525 HydrophobicContact CD2-CB 4.36Å
200V77.3Confident76.2Confident23 Ų2334.1 Ų34.114%0.13917%0.171CC..Hα-helixtrans-62.4-38.4179.5179.70000111.7S196 D197 L198 Q203 S204 P526S196-V200 PolarHBondContact O-N 3.18Å; D197-V200 PolarHBondContact O-N 3.29Å; L198-V200 VanDerWaalsContact C-N 3.3Å; L198-V200 PolarHBondContact O-N 3.35Å; V200-Q203 PolarHBondContact O-N 2.84Å; V200-S204 PolarHBondContact O-N 3.21Å; V200-P526 HydrophobicContact CG2-CG 4.42Å
201K81.8Confident75.7Confident27 Ų2739.2 Ų39.212%0.11719%0.194CC..Hα-helixtrans-65.1-41.6176.2-66.6-78-173.3151.90111.5L188 S189 L193 D197 L198 L199 S204 L205 D397L188-K201 HydrophobicContact CD1-CB 4.34Å; S189-K201 WeakPolarHBondContact O-CD 3.41Å; S189-K201 PolarHBondContact O-NZ 3.3Å; L193-K201 HydrophobicContact CD1-CG 3.74Å; D197-K201 WeakPolarHBondContact O-CG 3.41Å; D197-K201 PolarHBondContact O-N 3.26Å; L198-K201 WeakPolarHBondContact O-CB 3.44Å; L198-K201 PolarHBondContact O-N 3.3Å; L198-K201 VanDerWaalsContact O-N 3.16Å; L199-K201 VanDerWaalsContact C-N 3.31Å; L199-K201 PolarHBondContact O-N 3.29Å; K201-S204 WeakPolarHBondContact O-CB 3.42Å; K201-S204 PolarHBondContact O-N 3.04Å; K201-L205 PolarHBondContact O-N 2.87Å; K201-D397 PolarHBondContact NZ-O 3.38Å
202I84.4Confident74.8Confident1 Ų144.8 Ų44.81%0.00522%0.224CC..Hα-helixtrans-69.8-39.8176.4-59.1169.4000110.8L198 L199 S204 L205 C206 L225 A228 L232 V258 F259L198-I202 HydrophobicContact CD1-CD1 4.12Å; L198-I202 HydrophobicContact CD1-CG1 4.3Å; L198-I202 HydrophobicContact CG-CD1 3.97Å; L198-I202 WeakPolarHBondContact O-CG1 3.41Å; L198-I202 PolarHBondContact O-N 2.91Å; L199-I202 PolarHBondContact O-N 3.47Å; I202-S204 VanDerWaalsContact C-N 3.27Å; I202-S204 PolarHBondContact O-N 3.13Å; I202-L205 WeakPolarHBondContact O-CB 3.5Å; I202-L205 PolarHBondContact O-N 3.32Å; I202-L205 VanDerWaalsContact O-N 3.09Å; I202-C206 PolarHBondContact O-N 2.94Å; I202-C206 PolarHBondContact O-SG 2.71Å; I202-C206 VanDerWaalsContact O-SG 3.39Å; I202-L225 HydrophobicContact CD1-CD2 4.15Å; I202-A228 HydrophobicContact CB-CB 4.28Å; I202-A228 HydrophobicContact CG2-CB 3.68Å; I202-L232 HydrophobicContact CG2-CD2 4.5Å; I202-V258 HydrophobicContact CD1-CG1 3.53Å; I202-F259 HydrophobicContact CD1-CE1 4.28Å; I202-F259 HydrophobicContact CD1-CZ 3.98Å; I202-F259 HydrophobicContact CG1-CE1 4.01Å; I202-F259 HydrophobicContact CG1-CZ 3.75Å
203Q81.1Confident74.2Confident14 Ų1441.6 Ų41.67%0.06521%0.21CC..Hα-helixtrans-55.6-44.1172.4-72.9174.1-11.300111.1L199 V200 C206 F207 P221 P222 M522L199-Q203 HydrophobicContact CD1-CG 4.37Å; L199-Q203 HydrophobicContact CG-CG 4.33Å; L199-Q203 WeakPolarHBondContact O-CB 3.46Å; L199-Q203 VanDerWaalsContact O-CG 3.26Å; L199-Q203 WeakPolarHBondContact O-CG 3.15Å; L199-Q203 PolarHBondContact O-N 3.11Å; V200-Q203 PolarHBondContact O-N 2.84Å; Q203-C206 PolarHBondContact O-N 3.46Å; Q203-F207 WeakPolarHBondContact O-CB 3.42Å; Q203-F207 PolarHBondContact O-N 2.94Å; Q203-P221 HydrophobicContact CB-CB 4.2Å; Q203-P221 HydrophobicContact CG-CB 3.87Å; Q203-P222 HydrophobicContact CG-CG 3.82Å; Q203-P222 WeakPolarHBondContact CG-O 3.38Å; Q203-P222 PolarHBondContact NE2-O 2.8Å; Q203-M522 PolarHBondContact NE2-O 3.18Å
204S79.9Confident73Confident63 Ų6346.5 Ų46.544%0.44124%0.237SC..Hα-helixtrans-63-40.3175.8-177.20000112.4V200 K201 I202 R208V200-S204 PolarHBondContact O-N 3.21Å; K201-S204 WeakPolarHBondContact O-CB 3.42Å; K201-S204 PolarHBondContact O-N 3.04Å; I202-S204 VanDerWaalsContact C-N 3.27Å; I202-S204 PolarHBondContact O-N 3.13Å; S204-R208 PolarHBondContact O-N 3.08Å
205L83.8Confident71.8Confident0 Ų046.4 Ų46.40%025%0.245CC..Hα-helixtrans-65.6-49.3175.8-178.264.3000111.7L188 K201 I202 F207 R208 L209 L232 L245L188-L205 HydrophobicContact CD1-CB 4.33Å; L188-L205 HydrophobicContact CD2-CD2 4.22Å; K201-L205 PolarHBondContact O-N 2.87Å; I202-L205 WeakPolarHBondContact O-CB 3.5Å; I202-L205 PolarHBondContact O-N 3.32Å; I202-L205 VanDerWaalsContact O-N 3.09Å; L205-F207 VanDerWaalsContact C-N 3.29Å; L205-F207 PolarHBondContact O-N 3.33Å; L205-R208 WeakPolarHBondContact O-CB 3.16Å; L205-R208 PolarHBondContact O-N 2.85Å; L205-R208 VanDerWaalsContact O-N 3.12Å; L205-L209 HydrophobicContact CD1-CD1 4.4Å; L205-L209 HydrophobicContact CD1-CG 4.41Å; L205-L209 HydrophobicContact CG-CD1 4.1Å; L205-L209 WeakPolarHBondContact O-CG 3.37Å; L205-L209 PolarHBondContact O-N 2.83Å; L205-L232 HydrophobicContact CD2-CD1 3.67Å; L205-L232 HydrophobicContact CD2-CD2 4.12Å; L205-L232 HydrophobicContact CG-CD1 4.15Å; L205-L245 HydrophobicContact CD2-CD1 3.99Å
206C83.3Confident70.6Confident1 Ų149.8 Ų49.81%0.00726%0.262CS..Hα-helixtrans-56.9-45.2176.3-69.90000110.7I202 Q203 R208 L209 E210I202-C206 PolarHBondContact O-N 2.94Å; I202-C206 PolarHBondContact O-SG 2.71Å; I202-C206 VanDerWaalsContact O-SG 3.39Å; Q203-C206 PolarHBondContact O-N 3.46Å; C206-R208 PolarHBondContact O-N 3.1Å; C206-L209 PolarHBondContact O-N 2.62Å; C206-E210 WeakPolarHBondContact O-CB 3.11Å; C206-E210 WeakPolarHBondContact O-CG 3.16Å; C206-E210 PolarHBondContact O-N 3.38Å
207F77.8Confident69.4Low107 Ų10751 Ų5147%0.46927%0.27SS..Hα-helixtrans-58.5-46.4175.7-176-105.8000111.7Q203 L205 L209 E210 Q211Q203-F207 WeakPolarHBondContact O-CB 3.42Å; Q203-F207 PolarHBondContact O-N 2.94Å; L205-F207 VanDerWaalsContact C-N 3.29Å; L205-F207 PolarHBondContact O-N 3.33Å; F207-L209 VanDerWaalsContact C-N 3.35Å; F207-L209 PolarHBondContact O-N 3.4Å; F207-E210 PolarHBondContact O-N 2.76Å; F207-E210 VanDerWaalsContact O-N 3.16Å; F207-Q211 HydrophobicContact CD1-CG 4.29Å; F207-Q211 VanDerWaalsContact CD1-NE2 3.31Å; F207-Q211 HydrophobicContact CE1-CG 4.01Å; F207-Q211 HydrophobicContact CZ-CG 4.25Å; F207-Q211 WeakPolarHBondContact O-CG 3.23Å; F207-Q211 PolarHBondContact O-N 2.99Å
208R79.1Confident68.4Low67 Ų6754.3 Ų54.325%0.25328%0.284SS..Hα-helixtrans-59.3-44.3177-167.3-171.3-55.7156.37.2112G119 W187 S204 L205 C206 E210G119-R208 PolarHBondContact O-NH1 3.5Å; W187-R208 PolarHBondContact O-NH1 2.8Å; S204-R208 PolarHBondContact O-N 3.08Å; L205-R208 WeakPolarHBondContact O-CB 3.16Å; L205-R208 PolarHBondContact O-N 2.85Å; L205-R208 VanDerWaalsContact O-N 3.12Å; C206-R208 PolarHBondContact O-N 3.1Å; R208-E210 PolarHBondContact O-N 3.24Å
209L78.9Confident67.3Low3 Ų359.3 Ų59.32%0.01631%0.308CS..Hα-helixtrans-67.4-24179.2-67.6174.7000112.9H186 L205 C206 F207 L232 L235 M236 R239 Y240H186-L209 WeakPolarHBondContact CE1-CD2 3.47Å; L205-L209 HydrophobicContact CD1-CD1 4.4Å; L205-L209 HydrophobicContact CD1-CG 4.41Å; L205-L209 HydrophobicContact CG-CD1 4.1Å; L205-L209 WeakPolarHBondContact O-CG 3.37Å; L205-L209 PolarHBondContact O-N 2.83Å; C206-L209 PolarHBondContact O-N 2.62Å; F207-L209 VanDerWaalsContact C-N 3.35Å; F207-L209 PolarHBondContact O-N 3.4Å; L209-L232 HydrophobicContact CD1-CD1 3.7Å; L209-L235 HydrophobicContact CB-CD1 4.18Å; L209-L235 HydrophobicContact CD1-CB 4.45Å; L209-L235 HydrophobicContact CD1-CD1 4.31Å; L209-M236 HydrophobicContact CD1-SD 4.15Å; L209-R239 PolarHBondContact O-NH1 3.41Å; L209-Y240 HydrophobicContact CB-CE2 4Å; L209-Y240 HydrophobicContact CD2-CD2 4.01Å; L209-Y240 HydrophobicContact CD2-CE2 3.73Å; L209-Y240 HydrophobicContact CG-CE2 4.4Å; L209-Y240 PolarHBondContact O-OH 2.82Å
210E75.8Confident66.7Low8 Ų862.1 Ų62.14%0.03732%0.318CS..Hα-helixtrans-96.7-16.8-175.8-72.7178174.300114.8C206 F207 R208 N212 L213 R231 L235C206-E210 WeakPolarHBondContact O-CB 3.11Å; C206-E210 WeakPolarHBondContact O-CG 3.16Å; C206-E210 PolarHBondContact O-N 3.38Å; F207-E210 PolarHBondContact O-N 2.76Å; F207-E210 VanDerWaalsContact O-N 3.16Å; R208-E210 PolarHBondContact O-N 3.24Å; E210-N212 PolarHBondContact O-N 3.31Å; E210-L213 HydrophobicContact CB-CD1 4Å; E210-L213 HydrophobicContact CG-CD1 3.95Å; E210-L213 WeakPolarHBondContact O-CB 3.32Å; E210-L213 PolarHBondContact O-N 3.27Å; E210-R231 IonicContact OE1-CZ 3.53Å; E210-R231 IonicContact OE1-NE 2.71Å; E210-R231 PolarHBondContact OE1-NE 2.8Å; E210-R231 IonicContact OE1-NH2 3.79Å; E210-R231 PolarHBondContact OE1-NH2 3.46Å; E210-R231 IonicContact OE2-NH2 2.8Å; E210-R231 PolarHBondContact OE2-NH2 3.13Å; E210-L235 HydrophobicContact CG-CD1 4.12Å; E210-L235 HydrophobicContact CG-CD2 4.21Å
211Q67.8Low66.3Low106 Ų10662.6 Ų62.650%0.49532%0.321SS..THydrogen-bonded Turntrans-51.4-28.3-175.9-86173.82200114.9F207F207-Q211 HydrophobicContact CD1-CG 4.29Å; F207-Q211 VanDerWaalsContact CD1-NE2 3.31Å; F207-Q211 HydrophobicContact CE1-CG 4.01Å; F207-Q211 HydrophobicContact CZ-CG 4.25Å; F207-Q211 WeakPolarHBondContact O-CG 3.23Å; F207-Q211 PolarHBondContact O-N 2.99Å
212N57.8Low66Low121 Ų12161.3 Ų61.365%0.64732%0.316SS*.THydrogen-bonded Turntrans-91.613-179.3-65.3-21.6000114.2E210 R239E210-N212 PolarHBondContact O-N 3.31Å; N212-R239 PolarHBondContact O-NH2 2.9Å
213L57.7Low65.1Low64 Ų6461.7 Ų61.734%0.33532%0.318SS..SBendtrans-85.4133.5176.2-73.3159.9000111.9E210 S215 R239E210-L213 HydrophobicContact CB-CD1 4Å; E210-L213 HydrophobicContact CG-CD1 3.95Å; E210-L213 WeakPolarHBondContact O-CB 3.32Å; E210-L213 PolarHBondContact O-N 3.27Å; L213-S215 PolarHBondContact O-N 2.99Å; L213-R239 VanDerWaalsContact CD1-NH1 3.27Å; L213-R239 VanDerWaalsContact CD2-CZ 3.43Å
214D41.4Very low64.4Low127 Ų12763.2 Ų63.268%0.67933%0.331SS*.  trans-59.9102.8171.5-92.4-27.7000111.4Q216D214-Q216 VanDerWaalsContact C-N 3.31Å; D214-Q216 PolarHBondContact O-N 3.47Å
215S40.6Very low64.1Low108 Ų10861.9 Ų61.976%0.75532%0.318SS*.SBendtrans35.517.7140.957.50000123.1L213L213-S215 PolarHBondContact O-N 2.99Å
216Q39.7Very low63.5Low144 Ų14467.7 Ų67.767%0.67335%0.349SS*.  trans-135.1-21.1175.5-69-166.42.100118D214D214-Q216 VanDerWaalsContact C-N 3.31Å; D214-Q216 PolarHBondContact O-N 3.47Å
217S41.4Very low63.2Low46 Ų4670.4 Ų70.432%0.32236%0.362SS..SBendtrans-90115.7171.360.70000109.6H219S217-H219 PolarHBondContact O-N 3.35Å
218Q49.4Very low63.4Low104 Ų10465.3 Ų65.349%0.48634%0.339SS..  trans-62.4125.7-172.7-64177.7-3.300110.6R220 D1182Q218-R220 PolarHBondContact O-N 3.09Å; Q218-D1182 PolarHBondContact N-OD2 3.05Å
219H55.6Low63.7Low108 Ų10864.4 Ų64.450%0.534%0.337SS..  trans-6271178-63.7-77.7000112.4S217S217-H219 PolarHBondContact O-N 3.35Å
220R67.1Low63.7Low63 Ų6369 Ų6924%0.23836%0.359CS..PPolyproline II helixtrans-86.2124.3171174.1176.4168.5-175.7-6.6108.8Q218 T223 E227 E561Q218-R220 PolarHBondContact O-N 3.09Å; R220-T223 PolarHBondContact NH2-OG1 3.27Å; R220-E227 IonicContact NH2-OE2 3.31Å; R220-E561 PolarHBondContact NH1-O 2.95Å; R220-E561 PolarHBondContact NH2-O 2.9Å; R220-E561 IonicContact NH2-OE2 3.72Å
221P68.6Low64.1Low32 Ų3272.3 Ų72.321%0.20837%0.371CS..PPolyproline II helixtrans-69.1139.6167.629-31.9000109.5Q203 T223Q203-P221 HydrophobicContact CB-CB 4.2Å; Q203-P221 HydrophobicContact CG-CB 3.87Å; P221-T223 PolarHBondContact O-N 3.22Å
222P75Confident65Low1 Ų167.3 Ų67.31%0.00635%0.348CS..PPolyproline II helixtrans-60.1137.1176.624.9-35.1000110.7Q203 E227 A228Q203-P222 HydrophobicContact CG-CG 3.82Å; Q203-P222 WeakPolarHBondContact CG-O 3.38Å; Q203-P222 PolarHBondContact NE2-O 2.8Å; P222-E227 HydrophobicContact CB-CB 4.38Å; P222-E227 HydrophobicContact CB-CG 4.18Å; P222-A228 HydrophobicContact CB-CB 3.66Å; P222-A228 HydrophobicContact CG-CB 3.63Å
223T65.1Low66.3Low9 Ų965.1 Ų65.16%0.05533%0.33CS..SBendtrans-97.4-21.2-171.847.40000113.5L199 R220 P221 E227 E561L199-T223 WeakPolarHBondContact CD2-O 3.38Å; R220-T223 PolarHBondContact NH2-OG1 3.27Å; P221-T223 PolarHBondContact O-N 3.22Å; T223-E227 PolarHBondContact N-OE2 3.34Å; T223-E227 PolarHBondContact OG1-OE2 3.28Å; T223-E227 VanDerWaalsContact OG1-OE2 3.13Å; T223-E561 VanDerWaalsContact CB-CD 3.43Å; T223-E561 WeakPolarHBondContact CB-OE2 3.42Å; T223-E561 HydrophobicContact CG2-CB 4.06Å; T223-E561 HydrophobicContact CG2-CG 3.77Å; T223-E561 PolarHBondContact OG1-OE2 3.26Å
224S67.2Low67.6Low46 Ų4668.4 Ų68.432%0.32234%0.342SS..SBendtrans-119.8158.8173.173.10000111.5L199 D226 E227 A228L199-S224 WeakPolarHBondContact CD1-O 3.23Å; S224-D226 VanDerWaalsContact C-N 3.27Å; S224-D226 PolarHBondContact O-N 2.86Å; S224-E227 VanDerWaalsContact OG-CB 3.31Å; S224-E227 WeakPolarHBondContact OG-CB 3.36Å; S224-E227 PolarHBondContact OG-N 2.91Å; S224-E227 VanDerWaalsContact OG-N 3.09Å; S224-A228 VanDerWaalsContact O-CB 3.27Å; S224-A228 WeakPolarHBondContact O-CB 3.42Å; S224-A228 PolarHBondContact O-N 3.13Å
225L73.3Confident69.6Low34 Ų3462.7 Ų62.718%0.17831%0.312CS..Hα-helixtrans-64.1-34175.6-75.2171.1000111.8K195 L198 L199 I202 A228 K229 V258K195-L225 HydrophobicContact CB-CD1 4Å; K195-L225 HydrophobicContact CG-CD1 4.31Å; L198-L225 HydrophobicContact CB-CD2 4.32Å; L198-L225 HydrophobicContact CD2-CD2 4.01Å; L198-L225 HydrophobicContact CG-CD2 3.97Å; L199-L225 HydrophobicContact CB-CD2 3.86Å; L199-L225 HydrophobicContact CB-CG 4.38Å; L199-L225 HydrophobicContact CD1-CD2 4.25Å; I202-L225 HydrophobicContact CD1-CD2 4.15Å; L225-A228 PolarHBondContact O-N 3.33Å; L225-K229 VanDerWaalsContact O-CB 3.31Å; L225-K229 WeakPolarHBondContact O-CB 3.34Å; L225-K229 PolarHBondContact O-N 3.34Å; L225-V258 HydrophobicContact CD2-CG1 4.46Å
226D72.1Confident71.7Confident123 Ų12357.7 Ų57.766%0.65828%0.276SS*.Hα-helixtrans-71.3-43.6179.6-60.7-41000111.8S224 A228 K229 E230S224-D226 VanDerWaalsContact C-N 3.27Å; S224-D226 PolarHBondContact O-N 2.86Å; D226-A228 VanDerWaalsContact C-N 3.29Å; D226-A228 PolarHBondContact O-N 3.28Å; D226-K229 PolarHBondContact O-N 3.3Å; D226-E230 PolarHBondContact O-N 2.89Å
227E75.8Confident73.8Confident57 Ų5754.7 Ų54.727%0.26626%0.264SS..Hα-helixtrans-60.2-43.9171.9-174.1-167.7178.300110.1R220 P222 T223 S224 K229 E230 R231R220-E227 IonicContact NH2-OE2 3.31Å; P222-E227 HydrophobicContact CB-CB 4.38Å; P222-E227 HydrophobicContact CB-CG 4.18Å; T223-E227 PolarHBondContact N-OE2 3.34Å; T223-E227 PolarHBondContact OG1-OE2 3.28Å; T223-E227 VanDerWaalsContact OG1-OE2 3.13Å; S224-E227 VanDerWaalsContact OG-CB 3.31Å; S224-E227 WeakPolarHBondContact OG-CB 3.36Å; S224-E227 PolarHBondContact OG-N 2.91Å; S224-E227 VanDerWaalsContact OG-N 3.09Å; E227-K229 VanDerWaalsContact C-N 3.35Å; E227-K229 PolarHBondContact O-N 2.87Å; E227-E230 PolarHBondContact O-N 3.44Å; E227-R231 WeakPolarHBondContact O-CB 3.18Å; E227-R231 PolarHBondContact O-N 3.32Å
228A82.6Confident75.6Confident0 Ų062 Ų620%029%0.285CS..Hα-helixtrans-61.6-43178.400000111.8L199 I202 P222 S224 L225 D226 L232L199-A228 HydrophobicContact CD1-CB 3.94Å; I202-A228 HydrophobicContact CB-CB 4.28Å; I202-A228 HydrophobicContact CG2-CB 3.68Å; P222-A228 HydrophobicContact CB-CB 3.66Å; P222-A228 HydrophobicContact CG-CB 3.63Å; S224-A228 VanDerWaalsContact O-CB 3.27Å; S224-A228 WeakPolarHBondContact O-CB 3.42Å; S224-A228 PolarHBondContact O-N 3.13Å; L225-A228 PolarHBondContact O-N 3.33Å; D226-A228 VanDerWaalsContact C-N 3.29Å; D226-A228 PolarHBondContact O-N 3.28Å; A228-L232 WeakPolarHBondContact O-CB 3.37Å; A228-L232 PolarHBondContact O-N 3.44Å
229K84.7Confident77Confident48 Ų4860.8 Ų60.821%0.20928%0.276CS..Hα-helixtrans-61.7-52.3176.4174.1173.7-178.6168.60111.7L225 D226 E227 R231 L232 R233 K257 V258 D260 I261L225-K229 VanDerWaalsContact O-CB 3.31Å; L225-K229 WeakPolarHBondContact O-CB 3.34Å; L225-K229 PolarHBondContact O-N 3.34Å; D226-K229 PolarHBondContact O-N 3.3Å; E227-K229 VanDerWaalsContact C-N 3.35Å; E227-K229 PolarHBondContact O-N 2.87Å; K229-R231 PolarHBondContact O-N 3.08Å; K229-L232 PolarHBondContact O-N 3Å; K229-R233 VanDerWaalsContact O-CB 3.32Å; K229-R233 WeakPolarHBondContact O-CB 3.45Å; K229-R233 PolarHBondContact O-N 3.31Å; K229-K257 PolarHBondContact NZ-O 2.59Å; K229-V258 HydrophobicContact CB-CG1 4.23Å; K229-V258 WeakPolarHBondContact CD-O 3.33Å; K229-V258 VanDerWaalsContact CG-O 3.28Å; K229-V258 WeakPolarHBondContact CG-O 3.47Å; K229-D260 WeakPolarHBondContact CE-O 3.35Å; K229-D260 PolarHBondContact NZ-O 3.15Å; K229-I261 HydrophobicContact CG-CG2 3.76Å
230E79.9Confident78.3Confident99 Ų9957.3 Ų57.346%0.46326%0.259SS..Hα-helixtrans-67.5-36.8-178.6-74.3-57.5134.900112D226 E227 R233 F234D226-E230 PolarHBondContact O-N 2.89Å; E227-E230 PolarHBondContact O-N 3.44Å; E230-R233 WeakPolarHBondContact O-CB 3.17Å; E230-R233 PolarHBondContact O-N 3Å; E230-R233 IonicContact OE1-NH1 3.5Å; E230-F234 WeakPolarHBondContact O-CB 3.45Å; E230-F234 PolarHBondContact O-N 3.48Å
231R82.9Confident78.9Confident78 Ų7856.8 Ų56.829%0.29426%0.263SS..Hα-helixtrans-65.9-43.4174-170.2162.3-176.4120.5-2.9111.8E210 E227 K229 R233 F234 L235E210-R231 IonicContact OE1-CZ 3.53Å; E210-R231 IonicContact OE1-NE 2.71Å; E210-R231 PolarHBondContact OE1-NE 2.8Å; E210-R231 IonicContact OE1-NH2 3.79Å; E210-R231 PolarHBondContact OE1-NH2 3.46Å; E210-R231 IonicContact OE2-NH2 2.8Å; E210-R231 PolarHBondContact OE2-NH2 3.13Å; E227-R231 WeakPolarHBondContact O-CB 3.18Å; E227-R231 PolarHBondContact O-N 3.32Å; K229-R231 PolarHBondContact O-N 3.08Å; R231-R233 VanDerWaalsContact C-N 3.34Å; R231-F234 PolarHBondContact O-N 2.66Å; R231-L235 HydrophobicContact CG-CD1 4.42Å; R231-L235 WeakPolarHBondContact O-CG 3.31Å; R231-L235 PolarHBondContact O-N 3.31Å
232L86.8Confident79.6Confident1 Ų161.7 Ų61.71%0.00528%0.278CS..Hα-helixtrans-63-42.7174.7-173.466.8000111I202 L205 L209 A228 K229 F234 L235 M236 F259 I261I202-L232 HydrophobicContact CG2-CD2 4.5Å; L205-L232 HydrophobicContact CD2-CD1 3.67Å; L205-L232 HydrophobicContact CD2-CD2 4.12Å; L205-L232 HydrophobicContact CG-CD1 4.15Å; L209-L232 HydrophobicContact CD1-CD1 3.7Å; A228-L232 WeakPolarHBondContact O-CB 3.37Å; A228-L232 PolarHBondContact O-N 3.44Å; K229-L232 PolarHBondContact O-N 3Å; L232-F234 VanDerWaalsContact C-N 3.34Å; L232-F234 PolarHBondContact O-N 2.99Å; L232-L235 PolarHBondContact O-N 3.2Å; L232-M236 HydrophobicContact CD1-CG 4.1Å; L232-M236 HydrophobicContact CG-CG 4.2Å; L232-M236 WeakPolarHBondContact O-CB 3.31Å; L232-M236 WeakPolarHBondContact O-CG 3.42Å; L232-M236 PolarHBondContact O-N 2.88Å; L232-F259 HydrophobicContact CD2-CD1 3.95Å; L232-F259 HydrophobicContact CD2-CE1 4Å; L232-I261 HydrophobicContact CD2-CD1 3.85Å; L232-I261 HydrophobicContact CG-CD1 3.79Å
233R85.9Confident80.3Confident75 Ų7561.9 Ų61.928%0.28328%0.279SS..Hα-helixtrans-57.3-46.6174.1-175.7179.2-171.4175.14.1111.5K229 E230 R231 L237 I261K229-R233 VanDerWaalsContact O-CB 3.32Å; K229-R233 WeakPolarHBondContact O-CB 3.45Å; K229-R233 PolarHBondContact O-N 3.31Å; E230-R233 WeakPolarHBondContact O-CB 3.17Å; E230-R233 PolarHBondContact O-N 3Å; E230-R233 IonicContact OE1-NH1 3.5Å; R231-R233 VanDerWaalsContact C-N 3.34Å; R233-L237 HydrophobicContact CG-CD1 3.65Å; R233-L237 HydrophobicContact CG-CG 4.38Å; R233-L237 VanDerWaalsContact O-CB 3.28Å; R233-L237 WeakPolarHBondContact O-CB 3.5Å; R233-L237 WeakPolarHBondContact O-CG 3.4Å; R233-L237 PolarHBondContact O-N 3.36Å; R233-I261 HydrophobicContact CB-CB 3.91Å; R233-I261 HydrophobicContact CB-CG2 3.92Å; R233-I261 HydrophobicContact CG-CB 4.17Å
234F84.4Confident81.5Confident133 Ų13361.4 Ų61.458%0.58328%0.276SS*.Hα-helixtrans-60.5-49.3176.1178.4-94.3000111.7E230 R231 L232 M236 R238E230-F234 WeakPolarHBondContact O-CB 3.45Å; E230-F234 PolarHBondContact O-N 3.48Å; R231-F234 PolarHBondContact O-N 2.66Å; L232-F234 VanDerWaalsContact C-N 3.34Å; L232-F234 PolarHBondContact O-N 2.99Å; F234-M236 PolarHBondContact O-N 3.47Å; F234-R238 HydrophobicContact CD2-CG 4Å; F234-R238 HydrophobicContact CE2-CB 4.41Å; F234-R238 HydrophobicContact CE2-CG 3.87Å; F234-R238 HydrophobicContact CZ-CB 4.47Å; F234-R238 HydrophobicContact CZ-CG 4.39Å; F234-R238 VanDerWaalsContact O-CB 3.27Å; F234-R238 WeakPolarHBondContact O-CB 3.42Å; F234-R238 PolarHBondContact O-N 3.27Å
235L84.2Confident82.6Confident8 Ų859.2 Ų59.24%0.04226%0.261CS..Iπ-helixtrans-60.3-46.8179.4-71.1171.7000111.8L209 E210 R231 L232 R239 Y240L209-L235 HydrophobicContact CB-CD1 4.18Å; L209-L235 HydrophobicContact CD1-CB 4.45Å; L209-L235 HydrophobicContact CD1-CD1 4.31Å; E210-L235 HydrophobicContact CG-CD1 4.12Å; E210-L235 HydrophobicContact CG-CD2 4.21Å; R231-L235 HydrophobicContact CG-CD1 4.42Å; R231-L235 WeakPolarHBondContact O-CG 3.31Å; R231-L235 PolarHBondContact O-N 3.31Å; L232-L235 PolarHBondContact O-N 3.2Å; L235-R239 WeakPolarHBondContact O-CA 3.13Å; L235-R239 VanDerWaalsContact O-CB 3.26Å; L235-R239 WeakPolarHBondContact O-CB 3.27Å; L235-R239 PolarHBondContact O-N 3.42Å; L235-Y240 PolarHBondContact O-N 2.76Å
236M85.3Confident83.5Confident3 Ų357.6 Ų57.62%0.01525%0.253CS..Iπ-helixtrans-72.4-38.5-176.4-63.9-66.1-90.600112.4L209 L232 F234 Y240 L245 I261 C263L209-M236 HydrophobicContact CD1-SD 4.15Å; L232-M236 HydrophobicContact CD1-CG 4.1Å; L232-M236 HydrophobicContact CG-CG 4.2Å; L232-M236 WeakPolarHBondContact O-CB 3.31Å; L232-M236 WeakPolarHBondContact O-CG 3.42Å; L232-M236 PolarHBondContact O-N 2.88Å; F234-M236 PolarHBondContact O-N 3.47Å; M236-Y240 CarbonylContact O-C 3.55Å; M236-L245 HydrophobicContact CE-CB 3.73Å; M236-L245 HydrophobicContact CE-CD1 4.26Å; M236-L245 HydrophobicContact CE-CD2 4.4Å; M236-L245 HydrophobicContact CE-CG 4.35Å; M236-I261 HydrophobicContact CB-CD1 4.28Å; M236-I261 HydrophobicContact CG-CD1 3.98Å; M236-C263 WeakPolarHBondContact CB-SG 3.38Å
237L82.5Confident84.4Confident80 Ų8051.8 Ų51.842%0.41922%0.221SC..Iπ-helixtrans-79.6-40-179.9-68.8175.8000113.3R233R233-L237 HydrophobicContact CG-CD1 3.65Å; R233-L237 HydrophobicContact CG-CG 4.38Å; R233-L237 VanDerWaalsContact O-CB 3.28Å; R233-L237 WeakPolarHBondContact O-CB 3.5Å; R233-L237 WeakPolarHBondContact O-CG 3.4Å; R233-L237 PolarHBondContact O-N 3.36Å
238R79.7Confident85Confident201 Ų20150.1 Ų50.176%0.75821%0.214SC*.Iπ-helixtrans-91.7-41.2-174.7-68.6-71.2-171.5166.8-0113.2F234F234-R238 HydrophobicContact CD2-CG 4Å; F234-R238 HydrophobicContact CE2-CB 4.41Å; F234-R238 HydrophobicContact CE2-CG 3.87Å; F234-R238 HydrophobicContact CZ-CB 4.47Å; F234-R238 HydrophobicContact CZ-CG 4.39Å; F234-R238 VanDerWaalsContact O-CB 3.27Å; F234-R238 WeakPolarHBondContact O-CB 3.42Å; F234-R238 PolarHBondContact O-N 3.27Å
239R78.1Confident84.9Confident77 Ų7751 Ų5129%0.29122%0.219SC..Iπ-helixtrans-98.9-42-171.3-169.7177.5-175.4-172.15.4113.3L209 N212 L213 L235 P241L209-R239 PolarHBondContact O-NH1 3.41Å; N212-R239 PolarHBondContact O-NH2 2.9Å; L213-R239 VanDerWaalsContact CD1-NH1 3.27Å; L213-R239 VanDerWaalsContact CD2-CZ 3.43Å; L235-R239 WeakPolarHBondContact O-CA 3.13Å; L235-R239 VanDerWaalsContact O-CB 3.26Å; L235-R239 WeakPolarHBondContact O-CB 3.27Å; L235-R239 PolarHBondContact O-N 3.42Å; R239-P241 WeakPolarHBondContact O-CD 2.86Å
240Y83.1Confident84.8Confident36 Ų3648.7 Ų48.714%0.14121%0.209CC..SBendtrans-112.954.6178.5-59.4-80.2000111.9H186 L209 L235 M236 R242 S243H186-Y240 AromaticContact NE2-CD1 3.96Å; H186-Y240 AromaticContact NE2-CG 3.95Å; L209-Y240 HydrophobicContact CB-CE2 4Å; L209-Y240 HydrophobicContact CD2-CD2 4.01Å; L209-Y240 HydrophobicContact CD2-CE2 3.73Å; L209-Y240 HydrophobicContact CG-CE2 4.4Å; L209-Y240 PolarHBondContact O-OH 2.82Å; L235-Y240 PolarHBondContact O-N 2.76Å; M236-Y240 CarbonylContact O-C 3.55Å; Y240-R242 PolarHBondContact O-N 2.85Å; Y240-S243 VanDerWaalsContact O-CB 3.25Å; Y240-S243 WeakPolarHBondContact O-CB 3.43Å; Y240-S243 PolarHBondContact O-N 3.21Å; Y240-S243 VanDerWaalsContact O-N 3.14Å; Y240-S243 PolarHBondContact O-OG 3.26Å
241P80.5Confident84.4Confident51 Ų5148.5 Ų48.533%0.33120%0.204SC..THydrogen-bonded Turntrans-64.1140.2-17727.8-33.1000109.9N183 R239 S243N183-P241 VanDerWaalsContact CB-O 3.3Å; N183-P241 WeakPolarHBondContact CB-O 3.43Å; N183-P241 WeakPolarHBondContact ND2-CD 3.32Å; N183-P241 WeakPolarHBondContact ND2-CG 3.41Å; N183-P241 PolarHBondContact ND2-O 2.92Å; R239-P241 WeakPolarHBondContact O-CD 2.86Å; P241-S243 VanDerWaalsContact C-N 3.26Å; P241-S243 PolarHBondContact O-N 3.23Å
242R83.4Confident83.9Confident135 Ų13546.9 Ų46.951%0.50920%0.201SC..THydrogen-bonded Turntrans59.633.5-173.6-49.7-174.5-67.8166.5-1.6114.2F181 Y240F181-R242 VanDerWaalsContact CA-O 3.3Å; F181-R242 WeakPolarHBondContact CA-O 3.21Å; Y240-R242 PolarHBondContact O-N 2.85Å
243S88.7Confident83.1Confident5 Ų547.6 Ų47.64%0.03521%0.206CC..  trans-86.1158.4162.554.40000111.2G184 Y240 P241G184-S243 VanDerWaalsContact O-CA 3.24Å; G184-S243 WeakPolarHBondContact O-CA 3.1Å; G184-S243 WeakPolarHBondContact O-CB 3.45Å; Y240-S243 VanDerWaalsContact O-CB 3.25Å; Y240-S243 WeakPolarHBondContact O-CB 3.43Å; Y240-S243 PolarHBondContact O-N 3.21Å; Y240-S243 VanDerWaalsContact O-N 3.14Å; Y240-S243 PolarHBondContact O-OG 3.26Å; P241-S243 VanDerWaalsContact C-N 3.26Å; P241-S243 PolarHBondContact O-N 3.23Å
244L90.3Very high82.4Confident0 Ų044.9 Ų44.90%020%0.199CC..EExtended strand (participates in β ladder)trans-104.7129.1171.9179.964.6000109.7L142 V171 F181 G184 V185 H186 I246 R264 L266L142-L244 HydrophobicContact CD2-CD1 4.2Å; L142-L244 HydrophobicContact CD2-CD2 4.24Å; V171-L244 HydrophobicContact CG1-CD2 3.62Å; F181-L244 HydrophobicContact CB-CB 4.5Å; F181-L244 HydrophobicContact CD1-CB 3.62Å; F181-L244 HydrophobicContact CD2-CB 4.29Å; F181-L244 HydrophobicContact CD2-CD2 4.28Å; F181-L244 HydrophobicContact CE1-CB 3.79Å; F181-L244 HydrophobicContact CE1-CD1 3.97Å; F181-L244 HydrophobicContact CE1-CG 4.31Å; F181-L244 HydrophobicContact CE2-CB 4.46Å; F181-L244 HydrophobicContact CE2-CD2 4Å; F181-L244 HydrophobicContact CG-CB 3.88Å; F181-L244 HydrophobicContact CZ-CB 4.22Å; F181-L244 HydrophobicContact CZ-CD1 3.96Å; F181-L244 HydrophobicContact CZ-CD2 4.15Å; F181-L244 HydrophobicContact CZ-CG 4.34Å; G184-L244 PolarHBondContact O-N 2.92Å; V185-L244 CarbonylContact C-O 3.57Å; V185-L244 WeakPolarHBondContact CA-O 3.29Å; V185-L244 HydrophobicContact CG1-CB 4.43Å; V185-L244 HydrophobicContact CG1-CD2 4.31Å; V185-L244 HydrophobicContact CG2-CB 4.32Å; H186-L244 PolarHBondContact N-O 2.86Å; L244-I246 HydrophobicContact CD2-CD1 4.36Å; L244-I246 HydrophobicContact CD2-CG1 4.15Å; L244-I246 HydrophobicContact CG-CG1 4.16Å; L244-R264 HydrophobicContact CD1-CB 4.25Å; L244-L266 HydrophobicContact CD1-CB 4.13Å; L244-L266 HydrophobicContact CD2-CB 4.49Å
245L91.6Very high82.2Confident0 Ų038.9 Ų38.90%017%0.173CC..EExtended strand (participates in β ladder)trans-100.5123.9170.1-176.163000109.7H186 L205 M236 L247 F259 R264 I265 L266H186-L245 HydrophobicContact CB-CD1 3.99Å; H186-L245 CarbonylContact O-C 3.57Å; L205-L245 HydrophobicContact CD2-CD1 3.99Å; M236-L245 HydrophobicContact CE-CB 3.73Å; M236-L245 HydrophobicContact CE-CD1 4.26Å; M236-L245 HydrophobicContact CE-CD2 4.4Å; M236-L245 HydrophobicContact CE-CG 4.35Å; L245-L247 HydrophobicContact CD1-CD2 4.34Å; L245-L247 HydrophobicContact CD2-CD2 3.93Å; L245-L247 HydrophobicContact CG-CD2 3.83Å; L245-L247 HydrophobicContact CG-CG 4.4Å; L245-F259 HydrophobicContact CD2-CD1 3.99Å; L245-R264 PolarHBondContact N-O 2.82Å; L245-I265 HydrophobicContact CB-CG1 4.23Å; L245-I265 VanDerWaalsContact O-CA 3.28Å; L245-I265 WeakPolarHBondContact O-CA 3.31Å; L245-L266 PolarHBondContact O-N 3.11Å
246I92.3Very high82Confident0 Ų038.5 Ų38.50%017%0.171CC..EExtended strand (participates in β ladder)trans-104.7122.1176.7-50.8177.3000109.2V171 V185 H186 W187 L188 L244 L266V171-I246 HydrophobicContact CG1-CD1 3.91Å; V171-I246 HydrophobicContact CG2-CD1 4.03Å; V185-I246 HydrophobicContact CG1-CD1 3.37Å; V185-I246 HydrophobicContact CG1-CG1 3.87Å; H186-I246 PolarHBondContact O-N 3.3Å; W187-I246 HydrophobicContact CD2-CB 4.34Å; W187-I246 HydrophobicContact CD2-CG2 4.18Å; W187-I246 HydrophobicContact CE3-CB 3.78Å; W187-I246 HydrophobicContact CE3-CD1 3.71Å; W187-I246 HydrophobicContact CE3-CG1 4.34Å; W187-I246 HydrophobicContact CE3-CG2 3.52Å; W187-I246 HydrophobicContact CH2-CG2 4.14Å; W187-I246 HydrophobicContact CZ3-CB 4.25Å; W187-I246 HydrophobicContact CZ3-CD1 4.02Å; W187-I246 HydrophobicContact CZ3-CG2 3.5Å; W187-I246 VanDerWaalsContact CZ3-CG2 3.5Å; L188-I246 PolarHBondContact N-O 2.99Å; L244-I246 HydrophobicContact CD2-CD1 4.36Å; L244-I246 HydrophobicContact CD2-CG1 4.15Å; L244-I246 HydrophobicContact CG-CG1 4.16Å; I246-L266 CarbonylContact C-O 3.53Å; I246-L266 VanDerWaalsContact CA-O 3.23Å; I246-L266 WeakPolarHBondContact CA-O 3.26Å; I246-L266 HydrophobicContact CD1-CD2 4.21Å; I246-L266 HydrophobicContact CG1-CB 4.24Å; I246-L266 HydrophobicContact CG1-CD2 4.2Å; I246-L266 HydrophobicContact CG2-CB 4.48Å; I246-L266 HydrophobicContact CG2-CD2 4.32Å; I246-L266 HydrophobicContact CG2-CG 4.32Å
247L90.5Very high81.8Confident0 Ų042 Ų420%019%0.186CC..EExtended strand (participates in β ladder)trans-110.5117.9178.7-56.8-177.1000109.6L188 I190 L245 I250 L256 F259 I265 L266 L267 T268L188-L247 HydrophobicContact CB-CD2 4.15Å; L188-L247 HydrophobicContact CD2-CD2 4.18Å; I190-L247 HydrophobicContact CD1-CB 4.1Å; I190-L247 HydrophobicContact CD1-CD1 4.36Å; I190-L247 HydrophobicContact CD1-CD2 4.01Å; I190-L247 HydrophobicContact CD1-CG 4.38Å; L245-L247 HydrophobicContact CD1-CD2 4.34Å; L245-L247 HydrophobicContact CD2-CD2 3.93Å; L245-L247 HydrophobicContact CG-CD2 3.83Å; L245-L247 HydrophobicContact CG-CG 4.4Å; L247-I250 HydrophobicContact CB-CD1 3.61Å; L247-I250 HydrophobicContact CB-CG1 4.12Å; L247-I250 HydrophobicContact CD1-CD1 3.74Å; L247-I250 HydrophobicContact CG-CD1 4.34Å; L247-L256 HydrophobicContact CD1-CD1 4.38Å; L247-F259 HydrophobicContact CD1-CB 3.84Å; L247-F259 HydrophobicContact CD1-CD1 4.34Å; L247-F259 HydrophobicContact CD1-CD2 3.78Å; L247-F259 HydrophobicContact CD1-CE2 4.43Å; L247-F259 HydrophobicContact CD1-CG 3.72Å; L247-F259 HydrophobicContact CD2-CD1 4.12Å; L247-F259 HydrophobicContact CD2-CD2 4.45Å; L247-F259 HydrophobicContact CD2-CE1 4.12Å; L247-F259 HydrophobicContact CD2-CE2 4.44Å; L247-F259 HydrophobicContact CD2-CG 4.29Å; L247-F259 HydrophobicContact CD2-CZ 4.29Å; L247-I265 HydrophobicContact CD1-CG2 3.79Å; L247-I265 HydrophobicContact CG-CG2 3.92Å; L247-L266 PolarHBondContact N-O 2.99Å; L247-L267 HydrophobicContact CB-CB 4.24Å; L247-L267 CarbonylContact O-C 3.55Å; L247-L267 VanDerWaalsContact O-CA 3.29Å; L247-L267 WeakPolarHBondContact O-CA 3.44Å; L247-T268 PolarHBondContact O-N 3.3Å
248D87Confident81.7Confident23 Ų2339.1 Ų39.112%0.12317%0.172CC..EExtended strand (participates in β ladder)trans-102.7132.5-173.8-166.539.7000112.7S164 W187 L188 I190 G191 T268S164-D248 VanDerWaalsContact CB-OD1 3.23Å; S164-D248 WeakPolarHBondContact CB-OD1 3.4Å; S164-D248 PolarHBondContact OG-OD1 2.8Å; S164-D248 PolarHBondContact OG-OD2 3Å; W187-D248 HydrophobicContact CH2-CB 4.47Å; W187-D248 HydrophobicContact CZ2-CB 3.62Å; W187-D248 VanDerWaalsContact CZ2-CG 3.46Å; W187-D248 WeakPolarHBondContact CZ2-OD2 3.44Å; L188-D248 PolarHBondContact O-N 2.82Å; I190-D248 PolarHBondContact N-O 3Å; I190-D248 VanDerWaalsContact N-O 3.1Å; G191-D248 PolarHBondContact N-O 2.94Å; D248-T268 WeakPolarHBondContact CA-OG1 3.4Å; D248-T268 PolarHBondContact OD1-OG1 2.84Å
249D81.9Confident82Confident17 Ų1729.6 Ų29.69%0.09114%0.136CC..EExtended strand (participates in β ladder)trans51.166.2179.9-15341.4000114.3G191 W251 T268 R270G191-D249 CarbonylContact C-O 3.32Å; G191-D249 WeakPolarHBondContact CA-O 3.14Å; G191-D249 PolarHBondContact N-O 3.46Å; G191-D249 VanDerWaalsContact N-O 3.14Å; D249-W251 PolarHBondContact OD2-NE1 3.07Å; D249-T268 WeakPolarHBondContact CA-O 3.43Å; D249-T268 PolarHBondContact N-O 3.25Å; D249-T268 PolarHBondContact N-OG1 3.26Å; D249-R270 IonicContact OD1-CZ 2.73Å; D249-R270 IonicContact OD1-NE 3.49Å; D249-R270 PolarHBondContact OD1-NE 3.48Å; D249-R270 VanDerWaalsContact OD1-NE 3.16Å; D249-R270 IonicContact OD1-NH2 3.84Å; D249-R270 IonicContact OD2-CZ 2.66Å; D249-R270 IonicContact OD2-NE 3.86Å; D249-R270 IonicContact OD2-NH2 3.43Å; D249-R270 PolarHBondContact OD2-NH2 3.19Å
250I81.5Confident82.3Confident1 Ų127.4 Ų27.41%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-82.7134.1175.6-52.5-176.8000110.9I190 L247 L256 L267 T268 T269 L274I190-I250 HydrophobicContact CD1-CD1 4.34Å; I190-I250 HydrophobicContact CD1-CG1 4.13Å; L247-I250 HydrophobicContact CB-CD1 3.61Å; L247-I250 HydrophobicContact CB-CG1 4.12Å; L247-I250 HydrophobicContact CD1-CD1 3.74Å; L247-I250 HydrophobicContact CG-CD1 4.34Å; I250-L256 HydrophobicContact CD1-CD1 3.49Å; I250-L256 VanDerWaalsContact CD1-CD1 3.49Å; I250-L267 HydrophobicContact CD1-CB 3.85Å; I250-L267 HydrophobicContact CD1-CD2 4.45Å; I250-T268 PolarHBondContact N-O 3.27Å; I250-T269 WeakPolarHBondContact O-CB 3.28Å; I250-T269 PolarHBondContact O-OG1 3Å; I250-L274 HydrophobicContact CB-CD1 4.44Å; I250-L274 HydrophobicContact CG2-CD1 4.18Å; I250-L274 VanDerWaalsContact O-CD1 3.24Å; I250-L274 WeakPolarHBondContact O-CD1 3.41Å
251W72.4Confident82.2Confident94 Ų9425.7 Ų25.736%0.35612%0.123SC..  trans-112.4-29.9-178.5-71.378.4000115.3G191 Q192 D249 R270 L274G191-W251 VanDerWaalsContact C-CD1 3.44Å; Q192-W251 HydrophobicContact CB-CD2 4.23Å; Q192-W251 HydrophobicContact CB-CG 4.03Å; Q192-W251 HydrophobicContact CG-CG 4.39Å; D249-W251 PolarHBondContact OD2-NE1 3.07Å; W251-R270 VanDerWaalsContact CH2-NH1 3.34Å; W251-L274 WeakPolarHBondContact O-CD2 3.24Å
252D71.2Confident82.2Confident44 Ų4428.1 Ų28.124%0.23513%0.13CC..  trans-125.9140.1-169.2-163.818.9000111.6S254 V255 L256 L274 K642D252-S254 VanDerWaalsContact C-N 3.3Å; D252-S254 PolarHBondContact O-N 2.74Å; D252-S254 PolarHBondContact OD2-OG 3.27Å; D252-V255 HydrophobicContact CB-CG2 4.14Å; D252-V255 PolarHBondContact O-N 3.07Å; D252-L256 PolarHBondContact O-N 2.87Å; D252-L274 VanDerWaalsContact C-CD2 3.46Å; D252-K642 VanDerWaalsContact CG-NZ 3.29Å; D252-K642 IonicContact OD1-NZ 3.57Å; D252-K642 PolarHBondContact OD1-NZ 2.92Å; D252-K642 VanDerWaalsContact OD1-NZ 3.1Å; D252-K642 IonicContact OD2-NZ 3.27Å; D252-K642 PolarHBondContact OD2-NZ 2.94Å
253S71.8Confident82.2Confident16 Ų1622.2 Ų22.211%0.11211%0.109CC..Hα-helixtrans-66.9-34.6-179.9430000111.3V255 L256 K257 L274 S277 E663S253-V255 VanDerWaalsContact C-N 3.28Å; S253-V255 PolarHBondContact O-N 2.94Å; S253-L256 WeakPolarHBondContact O-CB 3.38Å; S253-L256 PolarHBondContact O-N 3.31Å; S253-L256 VanDerWaalsContact O-N 3.12Å; S253-K257 PolarHBondContact O-N 2.87Å; S253-K257 VanDerWaalsContact O-N 3.1Å; S253-L274 VanDerWaalsContact N-CD2 3.34Å; S253-S277 WeakPolarHBondContact CB-OG 3.48Å; S253-E663 WeakPolarHBondContact CB-OE1 3.34Å; S253-E663 PolarHBondContact OG-OE1 3.16Å
254S70.9Confident82.2Confident18 Ų1823.5 Ų23.513%0.12611%0.113CC..Hα-helixtrans-58.6-40177.776.70000112.2D252 K257D252-S254 VanDerWaalsContact C-N 3.3Å; D252-S254 PolarHBondContact O-N 2.74Å; D252-S254 PolarHBondContact OD2-OG 3.27Å; S254-K257 PolarHBondContact O-N 2.87Å
255V78.6Confident82.2Confident7 Ų723.5 Ų23.54%0.04211%0.113CC..Hα-helixtrans-66.3-41.6176.7175.50000110.6I190 L198 D252 S253 K257 V258 F259I190-V255 HydrophobicContact CD1-CG1 4.22Å; I190-V255 HydrophobicContact CG2-CG1 3.87Å; L198-V255 HydrophobicContact CD1-CG1 3.7Å; L198-V255 HydrophobicContact CD2-CB 4.21Å; L198-V255 HydrophobicContact CD2-CG1 3.85Å; L198-V255 HydrophobicContact CD2-CG2 4.18Å; L198-V255 HydrophobicContact CG-CG1 4.38Å; D252-V255 HydrophobicContact CB-CG2 4.14Å; D252-V255 PolarHBondContact O-N 3.07Å; S253-V255 VanDerWaalsContact C-N 3.28Å; S253-V255 PolarHBondContact O-N 2.94Å; V255-K257 VanDerWaalsContact C-N 3.33Å; V255-K257 PolarHBondContact O-N 3.48Å; V255-V258 WeakPolarHBondContact O-CB 3.31Å; V255-V258 PolarHBondContact O-N 3.22Å; V255-F259 HydrophobicContact CG1-CE2 4.19Å; V255-F259 WeakPolarHBondContact O-CD2 3.37Å
256L81.7Confident82.2Confident0 Ų023.5 Ų23.50%011%0.113CC..Hα-helixtrans-64.6-36.7-178.8-165.265.9000112.3W152 L247 I250 D252 S253 V258 F259 D260 L267 L274 T275 V278W152-L256 HydrophobicContact CE3-CD1 4.26Å; W152-L256 HydrophobicContact CH2-CD1 3.96Å; W152-L256 HydrophobicContact CH2-CG 4.18Å; W152-L256 HydrophobicContact CZ3-CD1 3.43Å; W152-L256 VanDerWaalsContact CZ3-CD1 3.43Å; W152-L256 HydrophobicContact CZ3-CG 4.04Å; L247-L256 HydrophobicContact CD1-CD1 4.38Å; I250-L256 HydrophobicContact CD1-CD1 3.49Å; I250-L256 VanDerWaalsContact CD1-CD1 3.49Å; D252-L256 PolarHBondContact O-N 2.87Å; S253-L256 WeakPolarHBondContact O-CB 3.38Å; S253-L256 PolarHBondContact O-N 3.31Å; S253-L256 VanDerWaalsContact O-N 3.12Å; L256-V258 PolarHBondContact O-N 3.45Å; L256-F259 PolarHBondContact O-N 2.9Å; L256-D260 PolarHBondContact O-N 2.91Å; L256-L267 HydrophobicContact CD1-CD2 3.81Å; L256-L267 HydrophobicContact CD2-CD2 4.28Å; L256-L274 HydrophobicContact CD2-CB 4.38Å; L256-L274 WeakPolarHBondContact CD2-O 3.43Å; L256-T275 HydrophobicContact CD2-CG2 4.34Å; L256-V278 HydrophobicContact CB-CG2 4.32Å; L256-V278 HydrophobicContact CD2-CG2 3.3Å; L256-V278 HydrophobicContact CG-CG2 3.55Å
257K79.7Confident82.2Confident78 Ų7823.6 Ų23.634%0.33911%0.114SC..Hα-helixtrans-59.2-29.8175.9-71.9175.1179.91710113.5K229 S253 S254 V255 F259 D260 E663K229-K257 PolarHBondContact NZ-O 2.59Å; S253-K257 PolarHBondContact O-N 2.87Å; S253-K257 VanDerWaalsContact O-N 3.1Å; S254-K257 PolarHBondContact O-N 2.87Å; V255-K257 VanDerWaalsContact C-N 3.33Å; V255-K257 PolarHBondContact O-N 3.48Å; K257-F259 VanDerWaalsContact C-N 3.28Å; K257-F259 PolarHBondContact O-N 2.65Å; K257-D260 WeakPolarHBondContact O-CB 3.27Å; K257-D260 PolarHBondContact O-N 3.43Å; K257-E663 IonicContact NZ-OE2 2.83Å
258V81.9Confident82.1Confident19 Ų1923.6 Ų23.612%0.11511%0.114CC..Hα-helixtrans-67.4-33.2176.7-175.90000110.9L198 I202 L225 K229 V255 L256 D260L198-V258 HydrophobicContact CD2-CB 4.21Å; L198-V258 HydrophobicContact CD2-CG2 3.81Å; I202-V258 HydrophobicContact CD1-CG1 3.53Å; L225-V258 HydrophobicContact CD2-CG1 4.46Å; K229-V258 HydrophobicContact CB-CG1 4.23Å; K229-V258 WeakPolarHBondContact CD-O 3.33Å; K229-V258 VanDerWaalsContact CG-O 3.28Å; K229-V258 WeakPolarHBondContact CG-O 3.47Å; V255-V258 WeakPolarHBondContact O-CB 3.31Å; V255-V258 PolarHBondContact O-N 3.22Å; L256-V258 PolarHBondContact O-N 3.45Å; V258-D260 VanDerWaalsContact C-N 3.31Å
259F85.8Confident81.9Confident0 Ų022.5 Ų22.50%011%0.108CC..THydrogen-bonded Turntrans-88.37.7176.7-62.5-76.2000113.7W152 L188 I190 L198 I202 L232 L245 L247 V255 L256 K257 I261 I265W152-F259 HydrophobicContact CH2-CB 4.42Å; L188-F259 HydrophobicContact CD2-CE1 3.78Å; L188-F259 HydrophobicContact CD2-CZ 3.51Å; I190-F259 HydrophobicContact CD1-CD2 4.21Å; I190-F259 HydrophobicContact CD1-CE2 3.48Å; I190-F259 VanDerWaalsContact CD1-CE2 3.48Å; I190-F259 HydrophobicContact CD1-CZ 3.99Å; L198-F259 HydrophobicContact CD1-CE2 3.82Å; L198-F259 HydrophobicContact CD1-CZ 4.05Å; I202-F259 HydrophobicContact CD1-CE1 4.28Å; I202-F259 HydrophobicContact CD1-CZ 3.98Å; I202-F259 HydrophobicContact CG1-CE1 4.01Å; I202-F259 HydrophobicContact CG1-CZ 3.75Å; L232-F259 HydrophobicContact CD2-CD1 3.95Å; L232-F259 HydrophobicContact CD2-CE1 4Å; L245-F259 HydrophobicContact CD2-CD1 3.99Å; L247-F259 HydrophobicContact CD1-CB 3.84Å; L247-F259 HydrophobicContact CD1-CD1 4.34Å; L247-F259 HydrophobicContact CD1-CD2 3.78Å; L247-F259 HydrophobicContact CD1-CE2 4.43Å; L247-F259 HydrophobicContact CD1-CG 3.72Å; L247-F259 HydrophobicContact CD2-CD1 4.12Å; L247-F259 HydrophobicContact CD2-CD2 4.45Å; L247-F259 HydrophobicContact CD2-CE1 4.12Å; L247-F259 HydrophobicContact CD2-CE2 4.44Å; L247-F259 HydrophobicContact CD2-CG 4.29Å; L247-F259 HydrophobicContact CD2-CZ 4.29Å; V255-F259 HydrophobicContact CG1-CE2 4.19Å; V255-F259 WeakPolarHBondContact O-CD2 3.37Å; L256-F259 PolarHBondContact O-N 2.9Å; K257-F259 VanDerWaalsContact C-N 3.28Å; K257-F259 PolarHBondContact O-N 2.65Å; F259-I261 WeakPolarHBondContact O-CG1 3.39Å; F259-I261 PolarHBondContact O-N 3.18Å; F259-I265 HydrophobicContact CB-CD1 4.27Å; F259-I265 WeakPolarHBondContact O-CD1 3.42Å
260D83.1Confident81.8Confident32 Ų3224.9 Ų24.917%0.17112%0.116CC..  trans-74.971169-165.53.1000110.9W152 K229 L256 K257 V258 V278 S279W152-D260 HydrophobicContact CZ2-CB 4.47Å; K229-D260 WeakPolarHBondContact CE-O 3.35Å; K229-D260 PolarHBondContact NZ-O 3.15Å; L256-D260 PolarHBondContact O-N 2.91Å; K257-D260 WeakPolarHBondContact O-CB 3.27Å; K257-D260 PolarHBondContact O-N 3.43Å; V258-D260 VanDerWaalsContact C-N 3.31Å; D260-V278 HydrophobicContact CB-CG1 3.73Å; D260-V278 VanDerWaalsContact CG-CG1 3.48Å; D260-V278 WeakPolarHBondContact OD2-CG1 3.21Å; D260-S279 PolarHBondContact OD2-OG 3.08Å
261I82.6Confident81.2Confident0 Ų028.3 Ų28.30%013%0.134CC..SBendtrans-10818-176.557166.4000112.2K229 L232 R233 M236 F259 C263K229-I261 HydrophobicContact CG-CG2 3.76Å; L232-I261 HydrophobicContact CD2-CD1 3.85Å; L232-I261 HydrophobicContact CG-CD1 3.79Å; R233-I261 HydrophobicContact CB-CB 3.91Å; R233-I261 HydrophobicContact CB-CG2 3.92Å; R233-I261 HydrophobicContact CG-CB 4.17Å; M236-I261 HydrophobicContact CB-CD1 4.28Å; M236-I261 HydrophobicContact CG-CD1 3.98Å; F259-I261 WeakPolarHBondContact O-CG1 3.39Å; F259-I261 PolarHBondContact O-N 3.18Å; I261-C263 VanDerWaalsContact C-N 3.29Å; I261-C263 HydrophobicContact CD1-CB 4.08Å; I261-C263 VanDerWaalsContact CD1-SG 3.56Å; I261-C263 HydrophobicContact CG1-CB 3.89Å; I261-C263 PolarHBondContact O-N 3.01Å; I261-C263 PolarHBondContact O-SG 3.4Å
262H80.1Confident81.3Confident101 Ų10130.7 Ų30.747%0.46814%0.143SC..SBendtrans56.140.4-176.6-59.762000113.1
263C81.9Confident81.2Confident11 Ų1131.5 Ų31.57%0.07415%0.152CC..  trans-110.4171.5178.1-69.10000111.2G151 M236 I261 I265G151-C263 PolarHBondContact N-O 3.21Å; M236-C263 WeakPolarHBondContact CB-SG 3.38Å; I261-C263 VanDerWaalsContact C-N 3.29Å; I261-C263 HydrophobicContact CD1-CB 4.08Å; I261-C263 VanDerWaalsContact CD1-SG 3.56Å; I261-C263 HydrophobicContact CG1-CB 3.89Å; I261-C263 PolarHBondContact O-N 3.01Å; I261-C263 PolarHBondContact O-SG 3.4Å; C263-I265 HydrophobicContact CB-CG1 4.48Å
264R88.9Confident81.3Confident33 Ų3331.1 Ų31.113%0.12515%0.149CC..EExtended strand (participates in β ladder)trans-84.4118.7172.2-63.8179.2-17682.71.9108.2L145 D148 F181 L244 L245L145-R264 HydrophobicContact CB-CG 4.37Å; L145-R264 HydrophobicContact CD1-CB 4.31Å; L145-R264 PolarHBondContact O-NE 3.36Å; D148-R264 PolarHBondContact O-NH2 3.42Å; D148-R264 VanDerWaalsContact O-NH2 3.14Å; F181-R264 HydrophobicContact CE1-CB 4.17Å; L244-R264 HydrophobicContact CD1-CB 4.25Å; L245-R264 PolarHBondContact N-O 2.82Å
265I90.7Very high81.4Confident0 Ų030.3 Ų30.30%014%0.143CC..EExtended strand (participates in β ladder)trans-125.7130-172.9-61.6168.5000110.5G151 W152 V153 L245 L247 F259 C263G151-I265 PolarHBondContact O-N 2.96Å; W152-I265 WeakPolarHBondContact CA-O 3.45Å; W152-I265 HydrophobicContact CD2-CB 4.36Å; W152-I265 HydrophobicContact CE3-CB 3.7Å; W152-I265 HydrophobicContact CE3-CD1 4.12Å; W152-I265 HydrophobicContact CE3-CG1 4.49Å; W152-I265 HydrophobicContact CE3-CG2 3.7Å; W152-I265 HydrophobicContact CH2-CB 4.46Å; W152-I265 HydrophobicContact CH2-CD1 3.28Å; W152-I265 HydrophobicContact CH2-CG1 4.42Å; W152-I265 HydrophobicContact CH2-CG2 4.49Å; W152-I265 HydrophobicContact CZ2-CD1 3.77Å; W152-I265 HydrophobicContact CZ3-CB 3.79Å; W152-I265 HydrophobicContact CZ3-CD1 3.46Å; W152-I265 VanDerWaalsContact CZ3-CD1 3.46Å; W152-I265 HydrophobicContact CZ3-CG1 4.2Å; W152-I265 HydrophobicContact CZ3-CG2 3.54Å; V153-I265 PolarHBondContact N-O 3.1Å; L245-I265 HydrophobicContact CB-CG1 4.23Å; L245-I265 VanDerWaalsContact O-CA 3.28Å; L245-I265 WeakPolarHBondContact O-CA 3.31Å; L247-I265 HydrophobicContact CD1-CG2 3.79Å; L247-I265 HydrophobicContact CG-CG2 3.92Å; F259-I265 HydrophobicContact CB-CD1 4.27Å; F259-I265 WeakPolarHBondContact O-CD1 3.42Å; C263-I265 HydrophobicContact CB-CG1 4.48Å
266L92Very high81Confident0 Ų035.6 Ų35.60%017%0.171CC..EExtended strand (participates in β ladder)trans-107118167.2172.664.1000107.6V138 L142 V153 V155 A167 V171 L244 L245 I246 L247V138-L266 HydrophobicContact CG1-CD1 4.43Å; L142-L266 HydrophobicContact CD1-CD2 4.37Å; L142-L266 HydrophobicContact CD2-CB 4.23Å; L142-L266 HydrophobicContact CD2-CD1 4.36Å; L142-L266 HydrophobicContact CD2-CD2 4.43Å; V153-L266 HydrophobicContact CB-CD1 3.91Å; V153-L266 HydrophobicContact CG1-CD1 3.63Å; V153-L266 CarbonylContact O-C 3.57Å; V153-L266 WeakPolarHBondContact O-CA 3.36Å; V155-L266 HydrophobicContact CG2-CD1 3.86Å; A167-L266 HydrophobicContact CB-CD2 3.99Å; V171-L266 HydrophobicContact CG1-CD2 4.39Å; L244-L266 HydrophobicContact CD1-CB 4.13Å; L244-L266 HydrophobicContact CD2-CB 4.49Å; L245-L266 PolarHBondContact O-N 3.11Å; I246-L266 CarbonylContact C-O 3.53Å; I246-L266 VanDerWaalsContact CA-O 3.23Å; I246-L266 WeakPolarHBondContact CA-O 3.26Å; I246-L266 HydrophobicContact CD1-CD2 4.21Å; I246-L266 HydrophobicContact CG1-CB 4.24Å; I246-L266 HydrophobicContact CG1-CD2 4.2Å; I246-L266 HydrophobicContact CG2-CB 4.48Å; I246-L266 HydrophobicContact CG2-CD2 4.32Å; I246-L266 HydrophobicContact CG2-CG 4.32Å; L247-L266 PolarHBondContact N-O 2.99Å
267L92Very high80.5Confident1 Ų137.6 Ų37.61%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-115.6143.5178.475.891.2000111.9W152 V153 T154 V155 L247 I250 L256 T269 T275W152-L267 HydrophobicContact CE3-CD2 3.86Å; W152-L267 HydrophobicContact CZ3-CD2 4.25Å; V153-L267 PolarHBondContact O-N 3.5Å; T154-L267 HydrophobicContact CG2-CD1 3.63Å; T154-L267 HydrophobicContact CG2-CG 4.23Å; V155-L267 PolarHBondContact N-O 2.83Å; L247-L267 HydrophobicContact CB-CB 4.24Å; L247-L267 CarbonylContact O-C 3.55Å; L247-L267 VanDerWaalsContact O-CA 3.29Å; L247-L267 WeakPolarHBondContact O-CA 3.44Å; I250-L267 HydrophobicContact CD1-CB 3.85Å; I250-L267 HydrophobicContact CD1-CD2 4.45Å; L256-L267 HydrophobicContact CD1-CD2 3.81Å; L256-L267 HydrophobicContact CD2-CD2 4.28Å; L267-T269 HydrophobicContact CD1-CG2 3.58Å; L267-T275 HydrophobicContact CD2-CG2 3.79Å
268T89Confident80.3Confident0 Ų034.2 Ų34.20%017%0.171CC..EExtended strand (participates in β ladder)trans-107136.2168.371.90000109.4V155 K163 A167 L247 D248 D249 I250V155-T268 HydrophobicContact CB-CG2 4.47Å; V155-T268 WeakPolarHBondContact O-CA 3.32Å; K163-T268 HydrophobicContact CB-CG2 4.48Å; A167-T268 HydrophobicContact CB-CG2 3.69Å; L247-T268 PolarHBondContact O-N 3.3Å; D248-T268 WeakPolarHBondContact CA-OG1 3.4Å; D248-T268 PolarHBondContact OD1-OG1 2.84Å; D249-T268 WeakPolarHBondContact CA-O 3.43Å; D249-T268 PolarHBondContact N-O 3.25Å; D249-T268 PolarHBondContact N-OG1 3.26Å; I250-T268 PolarHBondContact N-O 3.27Å
269T83.4Confident79.9Confident1 Ų136.5 Ų36.51%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-152.8165.9-179.7-176.30000112.8T154 V155 F156 G157 K163 I250 L267 N271 L274T154-T269 HydrophobicContact CG2-CG2 3.85Å; V155-T269 PolarHBondContact O-N 3.31Å; F156-T269 VanDerWaalsContact CA-O 3.22Å; F156-T269 WeakPolarHBondContact CA-O 3.48Å; F156-T269 HydrophobicContact CB-CG2 3.85Å; G157-T269 PolarHBondContact N-O 3.29Å; K163-T269 VanDerWaalsContact CD-O 3.24Å; K163-T269 WeakPolarHBondContact CD-O 3.4Å; K163-T269 WeakPolarHBondContact CE-O 3.24Å; I250-T269 WeakPolarHBondContact O-CB 3.28Å; I250-T269 PolarHBondContact O-OG1 3Å; L267-T269 HydrophobicContact CD1-CG2 3.58Å; T269-N271 WeakPolarHBondContact CG2-O 3.22Å; T269-N271 PolarHBondContact OG1-N 3.06Å; T269-N271 PolarHBondContact OG1-O 2.78Å; T269-L274 HydrophobicContact CG2-CD1 4.43Å; T269-L274 WeakPolarHBondContact OG1-CD1 3.49Å
270R79.6Confident79.4Confident67 Ų6739 Ų3925%0.25321%0.214SC..SBendtrans-92.5-22.2169-55.2176.5-162.3-168.67.7111.5D249 W251 D444D249-R270 IonicContact OD1-CZ 2.73Å; D249-R270 IonicContact OD1-NE 3.49Å; D249-R270 PolarHBondContact OD1-NE 3.48Å; D249-R270 VanDerWaalsContact OD1-NE 3.16Å; D249-R270 IonicContact OD1-NH2 3.84Å; D249-R270 IonicContact OD2-CZ 2.66Å; D249-R270 IonicContact OD2-NE 3.86Å; D249-R270 IonicContact OD2-NH2 3.43Å; D249-R270 PolarHBondContact OD2-NH2 3.19Å; W251-R270 VanDerWaalsContact CH2-NH1 3.34Å; R270-D444 IonicContact NH2-OD2 3.78Å; R270-D444 PolarHBondContact NH2-OD2 3.49Å
271N68.7Low79.3Confident72 Ų7238.9 Ų38.939%0.38522%0.217SC..  trans-113.6121.2-173.4-172.23.7000111.6T269 S273 L274T269-N271 WeakPolarHBondContact CG2-O 3.22Å; T269-N271 PolarHBondContact OG1-N 3.06Å; T269-N271 PolarHBondContact OG1-O 2.78Å; N271-S273 PolarHBondContact ND2-OG 2.99Å; N271-S273 PolarHBondContact OD1-N 3.38Å; N271-S273 VanDerWaalsContact OD1-N 3.13Å; N271-S273 PolarHBondContact OD1-OG 3.16Å; N271-S273 VanDerWaalsContact OD1-OG 3.11Å; N271-L274 HydrophobicContact CB-CD1 4.09Å; N271-L274 HydrophobicContact CB-CG 4.12Å
272R73.1Confident79.5Confident144 Ų14442.7 Ų42.754%0.54323%0.233SC..G310 helixtrans-65.5-36.9178.6-177.3-176.4178.8-166-1.7112.9F156 L274 T275 E284F156-R272 HydrophobicContact CD2-CB 4.13Å; F156-R272 HydrophobicContact CE1-CG 4.3Å; F156-R272 HydrophobicContact CE2-CB 4.2Å; F156-R272 HydrophobicContact CE2-CG 4.41Å; F156-R272 HydrophobicContact CG-CB 4.38Å; F156-R272 HydrophobicContact CZ-CG 4.23Å; R272-L274 PolarHBondContact O-N 2.82Å; R272-L274 VanDerWaalsContact O-N 3.11Å; R272-T275 PolarHBondContact O-OG1 3.25Å; R272-E284 IonicContact CZ-OE2 3.72Å; R272-E284 VanDerWaalsContact CZ-OE2 3.26Å; R272-E284 IonicContact NE-OE1 3.74Å; R272-E284 IonicContact NE-OE2 3.6Å; R272-E284 PolarHBondContact NE-OE2 3.49Å; R272-E284 IonicContact NH2-OE2 3.73Å; R272-E284 PolarHBondContact NH2-OE2 2.99Å
273S69.5Low79.9Confident62 Ų6240.2 Ų40.243%0.43422%0.22SC..G310 helixtrans-73.4-4-169.168.60000114.6N271 T275 D276N271-S273 PolarHBondContact ND2-OG 2.99Å; N271-S273 PolarHBondContact OD1-N 3.38Å; N271-S273 VanDerWaalsContact OD1-N 3.13Å; N271-S273 PolarHBondContact OD1-OG 3.16Å; N271-S273 VanDerWaalsContact OD1-OG 3.11Å; S273-T275 VanDerWaalsContact C-N 3.31Å; S273-T275 PolarHBondContact O-N 3.48Å; S273-D276 WeakPolarHBondContact O-CB 3.48Å; S273-D276 PolarHBondContact O-N 3.12Å
274L74.8Confident80.1Confident8 Ų842.8 Ų42.84%0.04223%0.231CC..G310 helixtrans-64.9-35.6-175.4-73171.2000113.1I250 W251 D252 S253 L256 T269 N271 R272 D276 S277I250-L274 HydrophobicContact CB-CD1 4.44Å; I250-L274 HydrophobicContact CG2-CD1 4.18Å; I250-L274 VanDerWaalsContact O-CD1 3.24Å; I250-L274 WeakPolarHBondContact O-CD1 3.41Å; W251-L274 WeakPolarHBondContact O-CD2 3.24Å; D252-L274 VanDerWaalsContact C-CD2 3.46Å; S253-L274 VanDerWaalsContact N-CD2 3.34Å; L256-L274 HydrophobicContact CD2-CB 4.38Å; L256-L274 WeakPolarHBondContact CD2-O 3.43Å; T269-L274 HydrophobicContact CG2-CD1 4.43Å; T269-L274 WeakPolarHBondContact OG1-CD1 3.49Å; N271-L274 HydrophobicContact CB-CD1 4.09Å; N271-L274 HydrophobicContact CB-CG 4.12Å; R272-L274 PolarHBondContact O-N 2.82Å; R272-L274 VanDerWaalsContact O-N 3.11Å; L274-D276 PolarHBondContact O-N 3.46Å; L274-S277 PolarHBondContact O-N 3.25Å; L274-S277 PolarHBondContact O-OG 3.4Å
275T72Confident80Confident1 Ų141.4 Ų41.41%0.00623%0.227CC..G310 helixtrans-72.1-10.4-178.7390000114.1T154 L256 L267 R272 S273 S277 V278 K282T154-T275 WeakPolarHBondContact OG1-CG2 3.4Å; L256-T275 HydrophobicContact CD2-CG2 4.34Å; L267-T275 HydrophobicContact CD2-CG2 3.79Å; R272-T275 PolarHBondContact O-OG1 3.25Å; S273-T275 VanDerWaalsContact C-N 3.31Å; S273-T275 PolarHBondContact O-N 3.48Å; T275-S277 PolarHBondContact O-N 3.03Å; T275-V278 PolarHBondContact O-N 3.16Å; T275-K282 WeakPolarHBondContact O-CE 3.45Å; T275-K282 PolarHBondContact O-NZ 3.49Å
276D71.6Confident79.7Confident117 Ų11747.4 Ų47.463%0.62626%0.255SS*.G310 helixtrans-64.4-29.2177.7-65.4-24.5000111.6S273 L274 V278S273-D276 WeakPolarHBondContact O-CB 3.48Å; S273-D276 PolarHBondContact O-N 3.12Å; L274-D276 PolarHBondContact O-N 3.46Å; D276-V278 VanDerWaalsContact C-N 3.27Å; D276-V278 PolarHBondContact O-N 3.19Å
277S69.8Low79.1Confident42 Ų4247.6 Ų47.629%0.29426%0.256SS..G310 helixtrans-75-8.3-177.667.20000115.3S253 L274 T275S253-S277 WeakPolarHBondContact CB-OG 3.48Å; L274-S277 PolarHBondContact O-N 3.25Å; L274-S277 PolarHBondContact O-OG 3.4Å; T275-S277 PolarHBondContact O-N 3.03Å
278V75.7Confident78.2Confident8 Ų854.4 Ų54.45%0.04829%0.287CS..SBendtrans-116.4152.4-171.4-152.70000112.3W152 L256 D260 T275 D276 K282W152-V278 HydrophobicContact CH2-CG1 4.04Å; W152-V278 HydrophobicContact CZ2-CB 4.16Å; W152-V278 HydrophobicContact CZ2-CG1 3.24Å; W152-V278 HydrophobicContact CZ2-CG2 4.42Å; L256-V278 HydrophobicContact CB-CG2 4.32Å; L256-V278 HydrophobicContact CD2-CG2 3.3Å; L256-V278 HydrophobicContact CG-CG2 3.55Å; D260-V278 HydrophobicContact CB-CG1 3.73Å; D260-V278 VanDerWaalsContact CG-CG1 3.48Å; D260-V278 WeakPolarHBondContact OD2-CG1 3.21Å; T275-V278 PolarHBondContact O-N 3.16Å; D276-V278 VanDerWaalsContact C-N 3.27Å; D276-V278 PolarHBondContact O-N 3.19Å; V278-K282 WeakPolarHBondContact O-CE 3.38Å; V278-K282 PolarHBondContact O-NZ 3.1Å
279S73Confident76.7Confident67 Ų6756.6 Ų56.647%0.46930%0.303SS..  trans-90.1157.7178.470.10000112.3W152 D260W152-S279 PolarHBondContact NE1-O 3.32Å; D260-S279 PolarHBondContact OD2-OG 3.08Å
280G76.4Confident75.7Confident52 Ų5260.3 Ų60.354%0.53633%0.325SS..SBendtrans106.8-177.6175.900000115.6
281A81.2Confident75.3Confident29 Ų2957.4 Ų57.424%0.2432%0.315CS..EExtended strand (participates in β ladder)trans-69.6132.4179.200000110.9D148 G151 W152 Y283D148-A281 VanDerWaalsContact OD2-CB 3.31Å; D148-A281 WeakPolarHBondContact OD2-CB 3.48Å; G151-A281 WeakPolarHBondContact CA-O 3.43Å; W152-A281 PolarHBondContact N-O 2.98Å; A281-Y283 HydrophobicContact CB-CE2 4.11Å
282K85.5Confident75.7Confident80 Ų8059.2 Ų59.235%0.34833%0.325SS..EExtended strand (participates in β ladder)trans-124.1129.3-174.9-58.5172.4-167.2-177.30110.3T275 V278T275-K282 WeakPolarHBondContact O-CE 3.45Å; T275-K282 PolarHBondContact O-NZ 3.49Å; V278-K282 WeakPolarHBondContact O-CE 3.38Å; V278-K282 PolarHBondContact O-NZ 3.1Å
283Y88.4Confident76Confident50 Ų5056.3 Ų56.320%0.19632%0.32CS..EExtended strand (participates in β ladder)trans-127.3128.8177.3-57.9-73000109.5K141 L144 L145 W152 V153 T154 A281K141-Y283 HydrophobicContact CD-CD1 4.1Å; K141-Y283 HydrophobicContact CD-CG 4.28Å; L144-Y283 HydrophobicContact CB-CE1 4.22Å; L144-Y283 HydrophobicContact CB-CE2 4.09Å; L144-Y283 HydrophobicContact CD1-CD1 4.03Å; L144-Y283 HydrophobicContact CD1-CE1 3.65Å; L145-Y283 HydrophobicContact CD2-CD2 4.03Å; L145-Y283 HydrophobicContact CD2-CE2 3.92Å; W152-Y283 PolarHBondContact O-N 3.35Å; V153-Y283 CarbonylContact C-O 3.59Å; V153-Y283 WeakPolarHBondContact CA-O 3.37Å; V153-Y283 HydrophobicContact CG2-CD2 4.22Å; T154-Y283 PolarHBondContact N-O 3.41Å; A281-Y283 HydrophobicContact CB-CE2 4.11Å
284E86.9Confident76.6Confident64 Ų6463 Ų6330%0.29934%0.336SS..EExtended strand (participates in β ladder)trans-111.9140.3-176.2-66.4176.6-176.800110.8F156 R272F156-E284 HydrophobicContact CE1-CB 4.18Å; R272-E284 IonicContact CZ-OE2 3.72Å; R272-E284 VanDerWaalsContact CZ-OE2 3.26Å; R272-E284 IonicContact NE-OE1 3.74Å; R272-E284 IonicContact NE-OE2 3.6Å; R272-E284 PolarHBondContact NE-OE2 3.49Å; R272-E284 IonicContact NH2-OE2 3.73Å; R272-E284 PolarHBondContact NH2-OE2 2.99Å
285V87.3Confident76.9Confident5 Ų565 Ų653%0.0334%0.344CS..EExtended strand (participates in β ladder)trans-132.6116.3171.6-176.40000108.5Q137 V138 K141 T154 V155 F156Q137-V285 HydrophobicContact CB-CG1 4.41Å; V138-V285 HydrophobicContact CG2-CB 4.18Å; V138-V285 HydrophobicContact CG2-CG1 3.86Å; V138-V285 HydrophobicContact CG2-CG2 4.1Å; K141-V285 HydrophobicContact CG-CG2 3.9Å; T154-V285 PolarHBondContact O-N 2.53Å; V155-V285 WeakPolarHBondContact CA-O 3.21Å; F156-V285 PolarHBondContact N-O 2.98Å
286E83.2Confident77.3Confident126 Ų12665 Ų6559%0.58934%0.344SS*.EExtended strand (participates in β ladder)trans-83.9131.6175.9-172.5170.8-176.200110.3F156F156-E286 HydrophobicContact CE1-CB 3.99Å; F156-E286 HydrophobicContact CE2-CB 4.09Å; F156-E286 HydrophobicContact CE2-CG 3.76Å; F156-E286 HydrophobicContact CZ-CB 3.6Å; F156-E286 HydrophobicContact CZ-CG 3.79Å
287V81.3Confident77.9Confident3 Ų360.5 Ų60.52%0.01832%0.32CS..EExtended strand (participates in β ladder)trans-105108.2173.8-178.60000108.4L134 V155 F156 K163L134-V287 HydrophobicContact CD1-CG1 4.39Å; V155-V287 HydrophobicContact CG1-CG2 3.42Å; V155-V287 VanDerWaalsContact CG1-CG2 3.42Å; F156-V287 PolarHBondContact O-N 3.2Å; K163-V287 HydrophobicContact CG-CB 4.41Å; K163-V287 HydrophobicContact CG-CG2 4.43Å
288E71.2Confident78.7Confident144 Ų14461.8 Ų61.867%0.67332%0.321SS*.  trans-54.8140.9174.4-64.6-178.1-174.700111.2V290E288-V290 VanDerWaalsContact C-N 3.31Å; E288-V290 PolarHBondContact O-N 3.19Å
289S58.5Low79Confident46 Ų4662 Ų6232%0.32232%0.321SS..SBendtrans-75.5-18.4-173.153.30000114.5M158M158-S289 WeakPolarHBondContact SD-CB 3.33Å; M158-S289 PolarHBondContact SD-OG 3.43Å
290V63Low79.5Confident79 Ų7958.8 Ų58.848%0.47930%0.299SS..SBendtrans-108.4116.3-172.7-177.50000108.8E288E288-V290 VanDerWaalsContact C-N 3.31Å; E288-V290 PolarHBondContact O-N 3.19Å
291L71.1Confident79.9Confident6 Ų656.6 Ų56.63%0.03128%0.276CS..  trans-61.3135160.7-91.4157.8000109.1R131 D293 K295 A296 I299 G324 P326R131-L291 VanDerWaalsContact NH2-CG 3.33Å; L291-D293 PolarHBondContact O-N 3.27Å; L291-K295 HydrophobicContact CD2-CB 3.86Å; L291-A296 HydrophobicContact CB-CB 4.33Å; L291-I299 HydrophobicContact CD1-CD1 3.73Å; L291-G324 WeakPolarHBondContact CB-O 3.41Å; L291-G324 PolarHBondContact N-O 3.21Å; L291-P326 HydrophobicContact CD1-CB 3.6Å; L291-P326 HydrophobicContact CD1-CG 3.43Å; L291-P326 VanDerWaalsContact CD1-CG 3.43Å; L291-P326 HydrophobicContact CG-CG 4.07Å
292D76.6Confident80Confident111 Ų11159.3 Ų59.359%0.59429%0.286SS*.  trans-47.7133.4165.1-84.4-31000110.7R294 K295 A296D292-R294 PolarHBondContact O-N 2.71Å; D292-K295 HydrophobicContact CB-CB 4.38Å; D292-K295 HydrophobicContact CB-CG 4.26Å; D292-K295 WeakPolarHBondContact O-CA 3.28Å; D292-K295 PolarHBondContact O-N 3.4Å; D292-A296 PolarHBondContact O-N 3.32Å
293D78.6Confident79.8Confident83 Ų8355.8 Ų55.844%0.44427%0.271SS..Hα-helixtrans-49.6-36.5178.4-74.4-9.8000111.8L291 L297 V319L291-D293 PolarHBondContact O-N 3.27Å; D293-L297 WeakPolarHBondContact O-CB 3.47Å; D293-L297 WeakPolarHBondContact O-CD1 3.35Å; D293-L297 WeakPolarHBondContact O-CG 3.5Å; D293-L297 PolarHBondContact O-N 3.21Å; D293-V319 HydrophobicContact CB-CG1 4.46Å
294R82.3Confident79.5Confident203 Ų20354.7 Ų54.777%0.76627%0.269SS*.Hα-helixtrans-63.9-43.4176.8-66.9-176.8-177.9173.51.7112.7D292 L297 E298D292-R294 PolarHBondContact O-N 2.71Å; R294-L297 PolarHBondContact O-N 3.02Å; R294-E298 PolarHBondContact O-N 2.96Å
295K81.9Confident79.2Confident50 Ų5060.4 Ų60.422%0.21729%0.293CS..Hα-helixtrans-74.5-35178.8-66.9-166.1-178.6-169.50111.7V129 S130 L291 D292 L297 E298 I299V129-K295 HydrophobicContact CG1-CB 4.14Å; V129-K295 HydrophobicContact CG1-CD 4.25Å; V129-K295 HydrophobicContact CG1-CG 4.27Å; S130-K295 PolarHBondContact O-NZ 3.37Å; L291-K295 HydrophobicContact CD2-CB 3.86Å; D292-K295 HydrophobicContact CB-CB 4.38Å; D292-K295 HydrophobicContact CB-CG 4.26Å; D292-K295 WeakPolarHBondContact O-CA 3.28Å; D292-K295 PolarHBondContact O-N 3.4Å; K295-L297 VanDerWaalsContact C-N 3.35Å; K295-E298 VanDerWaalsContact O-CB 3.28Å; K295-E298 WeakPolarHBondContact O-CB 3.32Å; K295-E298 PolarHBondContact O-N 2.82Å; K295-I299 WeakPolarHBondContact O-CG1 3.47Å; K295-I299 PolarHBondContact O-N 3.47Å
296A80.2Confident78.9Confident0 Ų064.1 Ų64.10%031%0.311CS..Hα-helixtrans-64-40.5172.400000111.7L291 D292 E298 I299 L300 V319 V329L291-A296 HydrophobicContact CB-CB 4.33Å; D292-A296 PolarHBondContact O-N 3.32Å; A296-E298 VanDerWaalsContact C-N 3.31Å; A296-E298 PolarHBondContact O-N 3.28Å; A296-I299 PolarHBondContact O-N 2.84Å; A296-L300 PolarHBondContact O-N 2.87Å; A296-V319 HydrophobicContact CB-CB 4.4Å; A296-V319 HydrophobicContact CB-CG1 3.51Å; A296-V319 HydrophobicContact CB-CG2 3.96Å; A296-V329 HydrophobicContact CB-CG1 4.48Å; A296-V329 HydrophobicContact CB-CG2 4.33Å
297L84.4Confident78.7Confident23 Ų2361.6 Ų61.612%0.1231%0.307CS..Hα-helixtrans-64.4-35.3171.3-71.8166.6000112.3D293 R294 K295 I299 L300 A301 L311 A315 R316 V319D293-L297 WeakPolarHBondContact O-CB 3.47Å; D293-L297 WeakPolarHBondContact O-CD1 3.35Å; D293-L297 WeakPolarHBondContact O-CG 3.5Å; D293-L297 PolarHBondContact O-N 3.21Å; R294-L297 PolarHBondContact O-N 3.02Å; K295-L297 VanDerWaalsContact C-N 3.35Å; L297-I299 VanDerWaalsContact C-N 3.35Å; L297-L300 PolarHBondContact O-N 3.03Å; L297-A301 VanDerWaalsContact O-CB 3.3Å; L297-A301 WeakPolarHBondContact O-CB 3.45Å; L297-A301 PolarHBondContact O-N 2.6Å; L297-L311 HydrophobicContact CB-CD1 4.2Å; L297-L311 HydrophobicContact CD2-CD1 3.99Å; L297-A315 HydrophobicContact CD2-CB 3.97Å; L297-R316 HydrophobicContact CD1-CG 4.14Å; L297-R316 HydrophobicContact CD2-CG 4.2Å; L297-V319 HydrophobicContact CD2-CG2 4.04Å; L297-V319 HydrophobicContact CG-CG2 4.25Å
298E85.4Confident78.5Confident69 Ų6965.9 Ų65.932%0.32233%0.327SS..Hα-helixtrans-60.9-42173.5-165179.3167.700112V129 R294 K295 A296 A301 L302V129-E298 WeakPolarHBondContact CG1-OE2 3.49Å; V129-E298 HydrophobicContact CG2-CB 4.22Å; V129-E298 HydrophobicContact CG2-CG 4.06Å; R294-E298 PolarHBondContact O-N 2.96Å; K295-E298 VanDerWaalsContact O-CB 3.28Å; K295-E298 WeakPolarHBondContact O-CB 3.32Å; K295-E298 PolarHBondContact O-N 2.82Å; A296-E298 VanDerWaalsContact C-N 3.31Å; A296-E298 PolarHBondContact O-N 3.28Å; E298-A301 WeakPolarHBondContact O-CB 3.27Å; E298-A301 PolarHBondContact O-N 2.86Å; E298-L302 HydrophobicContact CG-CD1 4.35Å; E298-L302 WeakPolarHBondContact O-CB 3.45Å; E298-L302 VanDerWaalsContact O-CG 3.28Å; E298-L302 WeakPolarHBondContact O-CG 3.47Å; E298-L302 PolarHBondContact O-N 3.13Å
299I82.9Confident78.7Confident11 Ų1166.7 Ų66.76%0.05634%0.336CS..Hα-helixtrans-59.2-50174.6-63.5170.6000110.2V127 V129 L291 K295 A296 L297 A301 L302 Y303 V329V127-I299 HydrophobicContact CG1-CG2 4.28Å; V129-I299 HydrophobicContact CB-CG1 4.17Å; V129-I299 HydrophobicContact CG2-CG1 3.5Å; L291-I299 HydrophobicContact CD1-CD1 3.73Å; K295-I299 WeakPolarHBondContact O-CG1 3.47Å; K295-I299 PolarHBondContact O-N 3.47Å; A296-I299 PolarHBondContact O-N 2.84Å; L297-I299 VanDerWaalsContact C-N 3.35Å; I299-A301 VanDerWaalsContact C-N 3.31Å; I299-A301 PolarHBondContact O-N 3.23Å; I299-L302 PolarHBondContact O-N 3.49Å; I299-Y303 HydrophobicContact CG2-CD2 3.79Å; I299-Y303 HydrophobicContact CG2-CE2 3.8Å; I299-Y303 WeakPolarHBondContact O-CD2 3.48Å; I299-Y303 PolarHBondContact O-N 3.14Å; I299-V329 HydrophobicContact CB-CG1 3.93Å; I299-V329 HydrophobicContact CD1-CG1 4.4Å; I299-V329 HydrophobicContact CG2-CG1 3.86Å
300L82.7Confident79.7Confident0 Ų066.9 Ų66.90%034%0.34CS..Hα-helixtrans-61.4-39.5178.2-67.7177.2000112.3A296 L297 Y303 T304 V319 V329 L336 W343A296-L300 PolarHBondContact O-N 2.87Å; L297-L300 PolarHBondContact O-N 3.03Å; L300-Y303 PolarHBondContact O-N 2.81Å; L300-T304 WeakPolarHBondContact O-CB 3.48Å; L300-T304 WeakPolarHBondContact O-CG2 3.49Å; L300-T304 PolarHBondContact O-N 3.24Å; L300-T304 PolarHBondContact O-OG1 3.29Å; L300-V319 HydrophobicContact CD1-CG2 3.65Å; L300-V329 HydrophobicContact CD2-CG1 4.06Å; L300-V329 HydrophobicContact CG-CG1 3.95Å; L300-L336 HydrophobicContact CD2-CD1 4.37Å; L300-W343 HydrophobicContact CD1-CZ3 4.36Å
301A84.8Confident80.6Confident7 Ų764.2 Ų64.26%0.05832%0.323CS..Hα-helixtrans-61.5-44.9176.300000111.6L297 E298 I299 T304 K305 M306 Q308 L311L297-A301 VanDerWaalsContact O-CB 3.3Å; L297-A301 WeakPolarHBondContact O-CB 3.45Å; L297-A301 PolarHBondContact O-N 2.6Å; E298-A301 WeakPolarHBondContact O-CB 3.27Å; E298-A301 PolarHBondContact O-N 2.86Å; I299-A301 VanDerWaalsContact C-N 3.31Å; I299-A301 PolarHBondContact O-N 3.23Å; A301-T304 PolarHBondContact O-N 3.34Å; A301-T304 PolarHBondContact O-OG1 2.85Å; A301-K305 WeakPolarHBondContact O-CA 3.34Å; A301-K305 PolarHBondContact O-N 3.39Å; A301-M306 WeakPolarHBondContact CB-O 3.49Å; A301-M306 PolarHBondContact O-N 3.29Å; A301-Q308 HydrophobicContact CB-CG 4.35Å; A301-L311 HydrophobicContact CB-CD1 4.11Å
302L83.9Confident81.2Confident85 Ų8565.9 Ų65.945%0.44533%0.334SS..Hα-helixtrans-65.2-41.7178.3-71.9170000112.3V127 V129 E298 I299 K305V127-L302 HydrophobicContact CG1-CB 3.53Å; V127-L302 HydrophobicContact CG1-CD1 3.75Å; V127-L302 HydrophobicContact CG1-CG 4.29Å; V129-L302 HydrophobicContact CG2-CD1 3.77Å; E298-L302 HydrophobicContact CG-CD1 4.35Å; E298-L302 WeakPolarHBondContact O-CB 3.45Å; E298-L302 VanDerWaalsContact O-CG 3.28Å; E298-L302 WeakPolarHBondContact O-CG 3.47Å; E298-L302 PolarHBondContact O-N 3.13Å; I299-L302 PolarHBondContact O-N 3.49Å; L302-K305 PolarHBondContact O-N 3.21Å
303Y80.6Confident81.5Confident7 Ų764.3 Ų64.33%0.02734%0.337CS..Hα-helixtrans-64.3-43.6175.7-90.1-76.1000112.6V127 I299 L300 K305 G333 A334 K337 S427V127-Y303 HydrophobicContact CB-CD2 3.92Å; V127-Y303 HydrophobicContact CB-CE1 4.45Å; V127-Y303 HydrophobicContact CB-CE2 3.45Å; V127-Y303 VanDerWaalsContact CB-CE2 3.45Å; V127-Y303 HydrophobicContact CG1-CD2 4.05Å; V127-Y303 HydrophobicContact CG1-CE2 3.96Å; V127-Y303 HydrophobicContact CG2-CD1 3.86Å; V127-Y303 HydrophobicContact CG2-CD2 3.68Å; V127-Y303 HydrophobicContact CG2-CE1 3.71Å; V127-Y303 HydrophobicContact CG2-CE2 3.51Å; V127-Y303 HydrophobicContact CG2-CG 3.84Å; I299-Y303 HydrophobicContact CG2-CD2 3.79Å; I299-Y303 HydrophobicContact CG2-CE2 3.8Å; I299-Y303 WeakPolarHBondContact O-CD2 3.48Å; I299-Y303 PolarHBondContact O-N 3.14Å; L300-Y303 PolarHBondContact O-N 2.81Å; Y303-K305 VanDerWaalsContact C-N 3.28Å; Y303-K305 PolarHBondContact O-N 2.89Å; Y303-G333 WeakPolarHBondContact CB-O 3.4Å; Y303-A334 HydrophobicContact CD1-CB 4.33Å; Y303-A334 HydrophobicContact CE1-CB 4.01Å; Y303-K337 HydrophobicContact CD1-CD 4.35Å; Y303-K337 WeakPolarHBondContact O-CB 3.2Å; Y303-K337 WeakPolarHBondContact O-CG 3.36Å; Y303-S427 PolarHBondContact OH-OG 2.94Å
304T81.8Confident81.7Confident26 Ų2663.6 Ų63.616%0.1633%0.331CS..Hα-helixtrans-83.2-4.6-178.156.70000113.4L300 A301 M306 L336 W343L300-T304 WeakPolarHBondContact O-CB 3.48Å; L300-T304 WeakPolarHBondContact O-CG2 3.49Å; L300-T304 PolarHBondContact O-N 3.24Å; L300-T304 PolarHBondContact O-OG1 3.29Å; A301-T304 PolarHBondContact O-N 3.34Å; A301-T304 PolarHBondContact O-OG1 2.85Å; T304-M306 PolarHBondContact O-N 2.98Å; T304-L336 HydrophobicContact CG2-CB 3.97Å; T304-W343 HydrophobicContact CG2-CH2 4.26Å; T304-W343 HydrophobicContact CG2-CZ2 3.89Å
305K81.3Confident81.7Confident185 Ų18553.9 Ų53.980%0.80429%0.294SS*.THydrogen-bonded Turntrans54.132.9-172.8-57.7-178.7178.7179.90112.9A301 L302 Y303A301-K305 WeakPolarHBondContact O-CA 3.34Å; A301-K305 PolarHBondContact O-N 3.39Å; L302-K305 PolarHBondContact O-N 3.21Å; Y303-K305 VanDerWaalsContact C-N 3.28Å; Y303-K305 PolarHBondContact O-N 2.89Å
306M81.8Confident81.8Confident83 Ų8360 Ų6041%0.40932%0.316SS..  trans-103.7162.8176.3-60.8-173.979.600110.4A301 T304 A310 L311A301-M306 WeakPolarHBondContact CB-O 3.49Å; A301-M306 PolarHBondContact O-N 3.29Å; T304-M306 PolarHBondContact O-N 2.98Å; M306-A310 HydrophobicContact CE-CB 4.07Å; M306-A310 WeakPolarHBondContact CE-O 3.47Å; M306-L311 HydrophobicContact CB-CD2 4.43Å
307S79.4Confident81.9Confident72 Ų7262.8 Ų62.850%0.50333%0.331SS..  trans-83.8154168.768.40000110.5N309 A310 L311S307-N309 PolarHBondContact O-N 2.75Å; S307-A310 PolarHBondContact O-N 2.55Å; S307-A310 WeakPolarHBondContact OG-CB 3.44Å; S307-L311 PolarHBondContact O-N 2.89Å
308Q75.6Confident81.7Confident94 Ų9461.8 Ų61.844%0.43933%0.326SS..G310 helixtrans-54.8-30.2-179.8-69.8-177.45.700113.3A301A301-Q308 HydrophobicContact CB-CG 4.35Å
309N74.9Confident81.6Confident161 Ų16158.5 Ų58.586%0.86131%0.31SS*.G310 helixtrans-81.8-17.2179.3-64.8-22.2000113.3S307S307-N309 PolarHBondContact O-N 2.75Å
310A79.6Confident81.5Confident49 Ų4964.1 Ų64.141%0.40533%0.334SS..G310 helixtrans-93.2-2.1179.900000113M306 S307M306-A310 HydrophobicContact CE-CB 4.07Å; M306-A310 WeakPolarHBondContact CE-O 3.47Å; S307-A310 PolarHBondContact O-N 2.55Å; S307-A310 WeakPolarHBondContact OG-CB 3.44Å
311L82.8Confident81.2Confident24 Ų2467.2 Ų67.213%0.12635%0.349CS..SBendtrans-70.8141.2178.6-73.6172.7000111.6L297 A301 M306 S307 A315 W343L297-L311 HydrophobicContact CB-CD1 4.2Å; L297-L311 HydrophobicContact CD2-CD1 3.99Å; A301-L311 HydrophobicContact CB-CD1 4.11Å; M306-L311 HydrophobicContact CB-CD2 4.43Å; S307-L311 PolarHBondContact O-N 2.89Å; L311-A315 HydrophobicContact CB-CB 4.03Å; L311-A315 HydrophobicContact CD1-CB 4.48Å; L311-W343 HydrophobicContact CD2-CH2 3.73Å; L311-W343 HydrophobicContact CD2-CZ2 4.13Å
312P84.1Confident80.4Confident40 Ų4067 Ų6726%0.2635%0.347SS..  trans-68.4160.517828.8-33.7000112E314 A315 W343P312-E314 WeakPolarHBondContact CB-OE2 3.43Å; P312-E314 PolarHBondContact O-N 3.46Å; P312-A315 WeakPolarHBondContact O-CB 3.41Å; P312-A315 PolarHBondContact O-N 2.86Å; P312-W343 HydrophobicContact CG-CD2 3.46Å; P312-W343 VanDerWaalsContact CG-CD2 3.46Å; P312-W343 HydrophobicContact CG-CE3 3.87Å; P312-W343 HydrophobicContact CG-CG 3.77Å; P312-W343 HydrophobicContact CG-CH2 4.35Å; P312-W343 HydrophobicContact CG-CZ2 3.96Å; P312-W343 HydrophobicContact CG-CZ3 4.31Å
313A82.1Confident79.7Confident79 Ų7968.8 Ų68.865%0.65335%0.351SS*.Hα-helixtrans-61.4-33.6-174.500000112.2A315 R316A313-A315 PolarHBondContact O-N 3.2Å; A313-R316 PolarHBondContact O-N 2.89Å
314E83.3Confident79Confident67 Ų6768.5 Ų68.531%0.31335%0.351SS..Hα-helixtrans-58.1-26.7175-61.985.8162.800112.2P312 R316 D317 I318 W343 L347P312-E314 WeakPolarHBondContact CB-OE2 3.43Å; P312-E314 PolarHBondContact O-N 3.46Å; E314-R316 VanDerWaalsContact C-N 3.31Å; E314-R316 PolarHBondContact O-N 2.77Å; E314-D317 PolarHBondContact O-N 3.37Å; E314-I318 WeakPolarHBondContact O-CG1 3.27Å; E314-I318 PolarHBondContact O-N 3.18Å; E314-W343 HydrophobicContact CB-CB 4.05Å; E314-W343 HydrophobicContact CG-CB 4.49Å; E314-L347 HydrophobicContact CB-CD2 4.27Å; E314-L347 HydrophobicContact CG-CD2 4.33Å
315A82.6Confident78.6Confident0 Ų068.6 Ų68.60%035%0.352CS..Hα-helixtrans-61.9-38.1178.800000112.3L297 L311 P312 A313 V319 W343L297-A315 HydrophobicContact CD2-CB 3.97Å; L311-A315 HydrophobicContact CB-CB 4.03Å; L311-A315 HydrophobicContact CD1-CB 4.48Å; P312-A315 WeakPolarHBondContact O-CB 3.41Å; P312-A315 PolarHBondContact O-N 2.86Å; A313-A315 PolarHBondContact O-N 3.2Å; A315-V319 WeakPolarHBondContact O-CG2 3.39Å; A315-V319 PolarHBondContact O-N 2.78Å; A315-V319 VanDerWaalsContact O-N 3.1Å; A315-W343 HydrophobicContact CB-CE3 4.03Å; A315-W343 HydrophobicContact CB-CH2 4.05Å; A315-W343 HydrophobicContact CB-CZ3 3.41Å; A315-W343 VanDerWaalsContact CB-CZ3 3.41Å
316R83.5Confident78.3Confident177 Ų17760.6 Ų60.667%0.66832%0.319SS*.Hα-helixtrans-69.2-37.8177-67.3-175.2179.11761.5111.7L297 A313 E314 V319 K320L297-R316 HydrophobicContact CD1-CG 4.14Å; L297-R316 HydrophobicContact CD2-CG 4.2Å; A313-R316 PolarHBondContact O-N 2.89Å; E314-R316 VanDerWaalsContact C-N 3.31Å; E314-R316 PolarHBondContact O-N 2.77Å; R316-V319 PolarHBondContact O-N 3.03Å; R316-K320 WeakPolarHBondContact O-CG 3.36Å; R316-K320 PolarHBondContact O-N 2.81Å; R316-K320 VanDerWaalsContact O-N 3.14Å
317D82.8Confident77.9Confident59 Ų5957.5 Ų57.532%0.31630%0.304SS..Hα-helixtrans-70.2-39.5178-76-6.6000111.2E314 V319 K320 E321 L347 R351E314-D317 PolarHBondContact O-N 3.37Å; D317-V319 PolarHBondContact O-N 2.72Å; D317-K320 WeakPolarHBondContact O-CB 3.26Å; D317-K320 PolarHBondContact O-N 3.25Å; D317-E321 WeakPolarHBondContact O-CG 3.24Å; D317-E321 PolarHBondContact O-N 3.42Å; D317-L347 HydrophobicContact CB-CD1 3.8Å; D317-L347 HydrophobicContact CB-CD2 3.86Å; D317-R351 IonicContact OD2-NH2 3.34Å; D317-R351 PolarHBondContact OD2-NH2 2.95Å
318I80.6Confident77.6Confident2 Ų254.4 Ų54.41%0.0128%0.282CS..Hα-helixtrans-59.2-48.1173.2-71.4175000110.5E314 K320 E321 C322 I332 W343 L347 L350E314-I318 WeakPolarHBondContact O-CG1 3.27Å; E314-I318 PolarHBondContact O-N 3.18Å; I318-K320 VanDerWaalsContact C-N 3.27Å; I318-K320 PolarHBondContact O-N 3Å; I318-E321 PolarHBondContact O-N 2.77Å; I318-E321 VanDerWaalsContact O-N 3.14Å; I318-C322 WeakPolarHBondContact O-CB 3.23Å; I318-C322 PolarHBondContact O-N 2.98Å; I318-C322 PolarHBondContact O-SG 3.04Å; I318-I332 HydrophobicContact CG2-CG2 3.81Å; I318-W343 HydrophobicContact CD1-CE3 3.76Å; I318-W343 HydrophobicContact CD1-CZ3 4.32Å; I318-L347 HydrophobicContact CD1-CB 4.45Å; I318-L347 HydrophobicContact CG1-CB 3.95Å; I318-L347 HydrophobicContact CG1-CD1 3.92Å; I318-L347 HydrophobicContact CG1-CG 4.46Å; I318-L350 HydrophobicContact CG2-CD1 4.12Å
319V82.1Confident77.8Confident1 Ų150 Ų501%0.00626%0.261CS..Hα-helixtrans-58.2-40.4178.6167.70000111.8D293 A296 L297 L300 A315 R316 D317 C322 K323D293-V319 HydrophobicContact CB-CG1 4.46Å; A296-V319 HydrophobicContact CB-CB 4.4Å; A296-V319 HydrophobicContact CB-CG1 3.51Å; A296-V319 HydrophobicContact CB-CG2 3.96Å; L297-V319 HydrophobicContact CD2-CG2 4.04Å; L297-V319 HydrophobicContact CG-CG2 4.25Å; L300-V319 HydrophobicContact CD1-CG2 3.65Å; A315-V319 WeakPolarHBondContact O-CG2 3.39Å; A315-V319 PolarHBondContact O-N 2.78Å; A315-V319 VanDerWaalsContact O-N 3.1Å; R316-V319 PolarHBondContact O-N 3.03Å; D317-V319 PolarHBondContact O-N 2.72Å; V319-C322 PolarHBondContact O-N 3.49Å; V319-K323 PolarHBondContact O-N 3.48Å
320K80.6Confident78Confident129 Ų12943.2 Ų43.256%0.56123%0.227SC*.Hα-helixtrans-63.2-45.4175-76.2177.7178.41780112.5R316 D317 I318 C322 K323R316-K320 WeakPolarHBondContact O-CG 3.36Å; R316-K320 PolarHBondContact O-N 2.81Å; R316-K320 VanDerWaalsContact O-N 3.14Å; D317-K320 WeakPolarHBondContact O-CB 3.26Å; D317-K320 PolarHBondContact O-N 3.25Å; I318-K320 VanDerWaalsContact C-N 3.27Å; I318-K320 PolarHBondContact O-N 3Å; K320-C322 VanDerWaalsContact C-N 3.29Å; K320-C322 PolarHBondContact O-N 3.22Å; K320-K323 PolarHBondContact O-N 2.9Å; K320-K323 VanDerWaalsContact O-N 3.1Å
321E76.1Confident77.7Confident65 Ų6540.9 Ų40.930%0.30421%0.208SC..Hα-helixtrans-67.4-30.8177.8-62.4-67.4174.600111.8D317 I318 K323 L347 L350 R351D317-E321 WeakPolarHBondContact O-CG 3.24Å; D317-E321 PolarHBondContact O-N 3.42Å; I318-E321 PolarHBondContact O-N 2.77Å; I318-E321 VanDerWaalsContact O-N 3.14Å; E321-K323 PolarHBondContact O-N 3.49Å; E321-L347 HydrophobicContact CG-CD1 4.01Å; E321-L350 HydrophobicContact CB-CB 4.3Å; E321-R351 HydrophobicContact CG-CG 4.31Å; E321-R351 WeakPolarHBondContact OE1-CG 3.35Å; E321-R351 IonicContact OE1-CZ 2.74Å; E321-R351 IonicContact OE1-NE 3.7Å; E321-R351 PolarHBondContact OE1-NE 3.01Å; E321-R351 IonicContact OE1-NH2 3.59Å
322C69.9Low77.6Confident2 Ų239.9 Ų39.91%0.01420%0.202CC..THydrogen-bonded Turntrans-71.8-5.9173.1-64.60000113.6I318 V319 K320 G324 S325 V328 V329I318-C322 WeakPolarHBondContact O-CB 3.23Å; I318-C322 PolarHBondContact O-N 2.98Å; I318-C322 PolarHBondContact O-SG 3.04Å; V319-C322 PolarHBondContact O-N 3.49Å; K320-C322 VanDerWaalsContact C-N 3.29Å; K320-C322 PolarHBondContact O-N 3.22Å; C322-G324 PolarHBondContact O-N 3.04Å; C322-S325 PolarHBondContact O-N 3.37Å; C322-S325 VanDerWaalsContact O-N 3.14Å; C322-V328 HydrophobicContact CB-CB 4.39Å; C322-V328 HydrophobicContact CB-CG1 4.04Å; C322-V329 HydrophobicContact CB-CG2 3.88Å
323K68.1Low77.3Confident122 Ų12238 Ų3853%0.5319%0.19SC..THydrogen-bonded Turntrans48.932.8179.5-60.5-177.3179.5179.30113.7V319 K320 E321 S325 D365V319-K323 PolarHBondContact O-N 3.48Å; K320-K323 PolarHBondContact O-N 2.9Å; K320-K323 VanDerWaalsContact O-N 3.1Å; E321-K323 PolarHBondContact O-N 3.49Å; K323-S325 VanDerWaalsContact C-N 3.32Å; K323-S325 PolarHBondContact O-N 3.15Å; K323-D365 IonicContact NZ-OD2 2.86Å; K323-D365 PolarHBondContact NZ-OD2 3.41Å
324G67.1Low77Confident2 Ų234.5 Ų34.52%0.02116%0.161CC..THydrogen-bonded Turntrans71.213177.100000116.4L291 C322 P326L291-G324 WeakPolarHBondContact CB-O 3.41Å; L291-G324 PolarHBondContact N-O 3.21Å; C322-G324 PolarHBondContact O-N 3.04Å; G324-P326 WeakPolarHBondContact O-CD 3.42Å
325S71.9Confident76.7Confident27 Ų2731.6 Ų31.619%0.18915%0.148CC..  trans-73119175.6176.80000111.7C322 K323 L327 V328 V329C322-S325 PolarHBondContact O-N 3.37Å; C322-S325 VanDerWaalsContact O-N 3.14Å; K323-S325 VanDerWaalsContact C-N 3.32Å; K323-S325 PolarHBondContact O-N 3.15Å; S325-L327 VanDerWaalsContact C-N 3.25Å; S325-L327 PolarHBondContact O-N 2.95Å; S325-V328 PolarHBondContact O-N 2.82Å; S325-V329 VanDerWaalsContact O-CG2 3.29Å; S325-V329 WeakPolarHBondContact O-CG2 3.41Å; S325-V329 PolarHBondContact O-N 3.17Å
326P74.9Confident76.5Confident17 Ų1731.6 Ų31.611%0.1115%0.148CC..Hα-helixtrans-56.8-36.9179.4-17.722.9000113.8R131 G160 S161 L291 G324 S330R131-P326 VanDerWaalsContact NH2-CG 3.26Å; G160-P326 VanDerWaalsContact O-CD 3.29Å; G160-P326 WeakPolarHBondContact O-CD 3.35Å; S161-P326 WeakPolarHBondContact O-CG 3.38Å; L291-P326 HydrophobicContact CD1-CB 3.6Å; L291-P326 HydrophobicContact CD1-CG 3.43Å; L291-P326 VanDerWaalsContact CD1-CG 3.43Å; L291-P326 HydrophobicContact CG-CG 4.07Å; G324-P326 WeakPolarHBondContact O-CD 3.42Å; P326-S330 WeakPolarHBondContact O-CB 3.31Å; P326-S330 PolarHBondContact O-N 3.19Å; P326-S330 PolarHBondContact O-OG 3.29Å
327L74.3Confident76.3Confident19 Ų1927.8 Ų27.810%0.09914%0.136CC..Hα-helixtrans-67-47.1-178.7-176.765.5000111.2S325 S330 L331 L369 F430S325-L327 VanDerWaalsContact C-N 3.25Å; S325-L327 PolarHBondContact O-N 2.95Å; L327-S330 PolarHBondContact O-N 3.41Å; L327-L331 HydrophobicContact CG-CD1 4.45Å; L327-L331 WeakPolarHBondContact O-CG 3.45Å; L327-L331 PolarHBondContact O-N 2.96Å; L327-L369 HydrophobicContact CD2-CD1 4.06Å; L327-L369 HydrophobicContact CG-CD1 4.32Å; L327-F430 HydrophobicContact CD1-CZ 4.1Å
328V73.9Confident75.8Confident6 Ų628.6 Ų28.64%0.03614%0.141CC..Hα-helixtrans-66.2-42.7179.9-1750000110.6C322 S325 S330 L331 I332 L369 A372C322-V328 HydrophobicContact CB-CB 4.39Å; C322-V328 HydrophobicContact CB-CG1 4.04Å; S325-V328 PolarHBondContact O-N 2.82Å; V328-S330 VanDerWaalsContact C-N 3.29Å; V328-S330 PolarHBondContact O-N 3.25Å; V328-L331 PolarHBondContact O-N 2.89Å; V328-I332 WeakPolarHBondContact O-CG1 3.44Å; V328-I332 PolarHBondContact O-N 3.35Å; V328-L369 HydrophobicContact CG2-CB 3.96Å; V328-L369 HydrophobicContact CG2-CD1 3.77Å; V328-L369 HydrophobicContact CG2-CG 4.46Å; V328-A372 HydrophobicContact CG1-CB 4.05Å
329V78.5Confident75.6Confident1 Ų133 Ų331%0.00616%0.16CC..Hα-helixtrans-62.4-38.1176.8176.50000111.1A296 I299 L300 C322 S325 G333A296-V329 HydrophobicContact CB-CG1 4.48Å; A296-V329 HydrophobicContact CB-CG2 4.33Å; I299-V329 HydrophobicContact CB-CG1 3.93Å; I299-V329 HydrophobicContact CD1-CG1 4.4Å; I299-V329 HydrophobicContact CG2-CG1 3.86Å; L300-V329 HydrophobicContact CD2-CG1 4.06Å; L300-V329 HydrophobicContact CG-CG1 3.95Å; C322-V329 HydrophobicContact CB-CG2 3.88Å; S325-V329 VanDerWaalsContact O-CG2 3.29Å; S325-V329 WeakPolarHBondContact O-CG2 3.41Å; S325-V329 PolarHBondContact O-N 3.17Å; V329-G333 PolarHBondContact O-N 3.08Å
330S78.8Confident75.3Confident20 Ų2036.6 Ų36.614%0.1418%0.183CC..Hα-helixtrans-69.2-40.4177.5-57.60000112.5P326 L327 V328 G333 A334P326-S330 WeakPolarHBondContact O-CB 3.31Å; P326-S330 PolarHBondContact O-N 3.19Å; P326-S330 PolarHBondContact O-OG 3.29Å; L327-S330 PolarHBondContact O-N 3.41Å; V328-S330 VanDerWaalsContact C-N 3.29Å; V328-S330 PolarHBondContact O-N 3.25Å; S330-G333 PolarHBondContact O-N 2.92Å; S330-A334 WeakPolarHBondContact O-CB 3.22Å; S330-A334 PolarHBondContact O-N 3.35Å
331L74.9Confident75.3Confident0 Ų038 Ų380%020%0.197CC..Hα-helixtrans-61.2-49.5174.7-76.2165.3000111.8L327 V328 G333 A334 L335 L369 A372 M373 L428L327-L331 HydrophobicContact CG-CD1 4.45Å; L327-L331 WeakPolarHBondContact O-CG 3.45Å; L327-L331 PolarHBondContact O-N 2.96Å; V328-L331 PolarHBondContact O-N 2.89Å; L331-G333 VanDerWaalsContact C-N 3.33Å; L331-G333 PolarHBondContact O-N 3.15Å; L331-A334 PolarHBondContact O-N 3.04Å; L331-L335 PolarHBondContact O-N 3.08Å; L331-L335 VanDerWaalsContact O-N 3.07Å; L331-L369 HydrophobicContact CD1-CD1 3.71Å; L331-A372 HydrophobicContact CB-CB 4.26Å; L331-A372 HydrophobicContact CD1-CB 4.42Å; L331-M373 HydrophobicContact CD1-CG 4.13Å; L331-L428 HydrophobicContact CD2-CD2 4.05Å
332I78.9Confident75.6Confident2 Ų240 Ų401%0.0120%0.201CC..Hα-helixtrans-65.9-38177.1-62.3-64.4000111.1I318 V328 A334 L335 L336 L350 A372I318-I332 HydrophobicContact CG2-CG2 3.81Å; V328-I332 WeakPolarHBondContact O-CG1 3.44Å; V328-I332 PolarHBondContact O-N 3.35Å; I332-A334 PolarHBondContact O-N 3.29Å; I332-L335 HydrophobicContact CD1-CD1 4.19Å; I332-L335 WeakPolarHBondContact O-CB 3.31Å; I332-L335 PolarHBondContact O-N 3.37Å; I332-L336 HydrophobicContact CG2-CD1 3.75Å; I332-L336 HydrophobicContact CG2-CG 4.29Å; I332-L336 WeakPolarHBondContact O-CB 3.4Å; I332-L336 VanDerWaalsContact O-CG 3.31Å; I332-L336 WeakPolarHBondContact O-CG 3.4Å; I332-L336 PolarHBondContact O-N 3.47Å; I332-L350 HydrophobicContact CD1-CD1 4.23Å; I332-L350 HydrophobicContact CG1-CD1 4.4Å; I332-A372 HydrophobicContact CD1-CB 3.74Å; I332-A372 HydrophobicContact CG1-CB 4.07Å
333G78.8Confident76.3Confident0 Ų040.9 Ų40.90%021%0.205CC..Hα-helixtrans-59-44.9173.800000112.6Y303 V329 S330 L331 L335 L336 K337Y303-G333 WeakPolarHBondContact CB-O 3.4Å; V329-G333 PolarHBondContact O-N 3.08Å; S330-G333 PolarHBondContact O-N 2.92Å; L331-G333 VanDerWaalsContact C-N 3.33Å; L331-G333 PolarHBondContact O-N 3.15Å; G333-L335 PolarHBondContact O-N 3.47Å; G333-L336 PolarHBondContact O-N 3.42Å; G333-K337 PolarHBondContact O-N 3.01Å
334A76.4Confident77Confident6 Ų638.4 Ų38.45%0.0520%0.197CC..Hα-helixtrans-62.3-41.8175.700000112Y303 S330 L331 I332 L336 K337 D338Y303-A334 HydrophobicContact CD1-CB 4.33Å; Y303-A334 HydrophobicContact CE1-CB 4.01Å; S330-A334 WeakPolarHBondContact O-CB 3.22Å; S330-A334 PolarHBondContact O-N 3.35Å; L331-A334 PolarHBondContact O-N 3.04Å; I332-A334 PolarHBondContact O-N 3.29Å; A334-L336 PolarHBondContact O-N 3.38Å; A334-K337 WeakPolarHBondContact O-CB 3.49Å; A334-K337 PolarHBondContact O-N 3.46Å; A334-D338 PolarHBondContact O-N 2.68Å
335L77.1Confident77.6Confident7 Ų742.9 Ų42.94%0.03721%0.214CC..Hα-helixtrans-60.9-43.1174.6-78.4173.8000113.1L331 I332 G333 K337 D338 K339 Y346 A375 S376 V379L331-L335 PolarHBondContact O-N 3.08Å; L331-L335 VanDerWaalsContact O-N 3.07Å; I332-L335 HydrophobicContact CD1-CD1 4.19Å; I332-L335 WeakPolarHBondContact O-CB 3.31Å; I332-L335 PolarHBondContact O-N 3.37Å; G333-L335 PolarHBondContact O-N 3.47Å; L335-K337 VanDerWaalsContact C-N 3.33Å; L335-D338 PolarHBondContact O-N 3.13Å; L335-K339 PolarHBondContact O-N 2.86Å; L335-Y346 HydrophobicContact CB-CE2 4.09Å; L335-Y346 HydrophobicContact CD1-CD1 4.32Å; L335-Y346 HydrophobicContact CD1-CE1 3.91Å; L335-A375 HydrophobicContact CD1-CB 3.82Å; L335-S376 WeakPolarHBondContact CD1-OG 3.43Å; L335-V379 HydrophobicContact CD2-CB 4.08Å; L335-V379 HydrophobicContact CD2-CG1 4.46Å; L335-V379 HydrophobicContact CD2-CG2 3.75Å
336L78.5Confident77.8Confident0 Ų041.8 Ų41.80%021%0.206CC..Hα-helixtrans-71.9-27.6180-71.2167.6000112.5L300 T304 I332 G333 A334 D338 K339 P340 W343 Y346L300-L336 HydrophobicContact CD2-CD1 4.37Å; T304-L336 HydrophobicContact CG2-CB 3.97Å; I332-L336 HydrophobicContact CG2-CD1 3.75Å; I332-L336 HydrophobicContact CG2-CG 4.29Å; I332-L336 WeakPolarHBondContact O-CB 3.4Å; I332-L336 VanDerWaalsContact O-CG 3.31Å; I332-L336 WeakPolarHBondContact O-CG 3.4Å; I332-L336 PolarHBondContact O-N 3.47Å; G333-L336 PolarHBondContact O-N 3.42Å; A334-L336 PolarHBondContact O-N 3.38Å; L336-D338 VanDerWaalsContact C-N 3.33Å; L336-K339 CarbonylContact O-C 3.57Å; L336-P340 WeakPolarHBondContact O-CA 3Å; L336-W343 HydrophobicContact CD1-CD2 4Å; L336-W343 HydrophobicContact CD1-CE3 3.66Å; L336-W343 HydrophobicContact CD1-CH2 3.63Å; L336-W343 HydrophobicContact CD1-CZ2 3.99Å; L336-W343 HydrophobicContact CD1-CZ3 3.44Å; L336-W343 VanDerWaalsContact CD1-CZ3 3.44Å; L336-W343 HydrophobicContact CD2-CD2 3.76Å; L336-W343 HydrophobicContact CD2-CE3 4.21Å; L336-W343 HydrophobicContact CD2-CG 3.95Å; L336-W343 HydrophobicContact CD2-CZ2 4.46Å; L336-Y346 HydrophobicContact CD2-CD2 3.78Å; L336-Y346 HydrophobicContact CD2-CE2 4.17Å; L336-Y346 HydrophobicContact CG-CD2 4.31Å
337K78.6Confident78.1Confident96 Ų9641.2 Ų41.242%0.41720%0.201SC..Hα-helixtrans-62-40.7170.9179.9-177172-168.20111.6Y303 G333 A334 L335Y303-K337 HydrophobicContact CD1-CD 4.35Å; Y303-K337 WeakPolarHBondContact O-CB 3.2Å; Y303-K337 WeakPolarHBondContact O-CG 3.36Å; G333-K337 PolarHBondContact O-N 3.01Å; A334-K337 WeakPolarHBondContact O-CB 3.49Å; A334-K337 PolarHBondContact O-N 3.46Å; L335-K337 VanDerWaalsContact C-N 3.33Å
338D72.1Confident78.2Confident77 Ų7746.6 Ų46.641%0.41222%0.22SC..Hα-helixtrans-79.5-36.3179.1-72.1-6.4000112.5A334 L335 L336 K426A334-D338 PolarHBondContact O-N 2.68Å; L335-D338 PolarHBondContact O-N 3.13Å; L336-D338 VanDerWaalsContact C-N 3.33Å; D338-K426 VanDerWaalsContact OD2-CE 3.31Å; D338-K426 WeakPolarHBondContact OD2-CE 3.48Å
339K76.6Confident78.1Confident94 Ų9447.5 Ų47.541%0.40922%0.224SC..  trans-127.678.7-178-62.4-70.2-176.3-177.50111L335 L336 N341 R342L335-K339 PolarHBondContact O-N 2.86Å; L336-K339 CarbonylContact O-C 3.57Å; K339-N341 PolarHBondContact O-N 3.37Å; K339-R342 HydrophobicContact CB-CB 4.37Å; K339-R342 HydrophobicContact CB-CG 4.19Å; K339-R342 PolarHBondContact O-N 2.91Å
340P76.4Confident77.7Confident77 Ų7747.9 Ų47.950%0.523%0.226SC..THydrogen-bonded Turntrans-66.1-16.3-171.224-34.2000115.2L336 W343L336-P340 WeakPolarHBondContact O-CA 3Å; P340-W343 PolarHBondContact O-NE1 3.37Å
341N80.1Confident77.5Confident158 Ų15852.8 Ų52.885%0.84524%0.242SC*.THydrogen-bonded Turntrans-95.43.7-176.7-63.3-11.9000114.1K339K339-N341 PolarHBondContact O-N 3.37Å
342R83.1Confident77.1Confident107 Ų10758 Ų5840%0.40427%0.266SS..  trans-10322.8-170.1-71.9-169.8177.3-177.6-4115.4K339 D344 Y345 Y346K339-R342 HydrophobicContact CB-CB 4.37Å; K339-R342 HydrophobicContact CB-CG 4.19Å; K339-R342 PolarHBondContact O-N 2.91Å; R342-D344 PolarHBondContact O-N 3.16Å; R342-Y345 WeakPolarHBondContact O-CB 3.48Å; R342-Y345 PolarHBondContact O-N 2.81Å; R342-Y346 HydrophobicContact CB-CD2 3.92Å; R342-Y346 HydrophobicContact CB-CE2 3.58Å; R342-Y346 WeakPolarHBondContact O-CD2 3.35Å; R342-Y346 PolarHBondContact O-N 3.44Å; R342-Y346 VanDerWaalsContact O-N 3.09Å
343W83.1Confident76.3Confident21 Ų2162.3 Ų62.38%0.0829%0.285CS..Hα-helixtrans-52.8-54.7-179.6-67.788.1000113.8L300 T304 L311 P312 E314 A315 I318 L336 P340 Y345 Y346 L347L300-W343 HydrophobicContact CD1-CZ3 4.36Å; T304-W343 HydrophobicContact CG2-CH2 4.26Å; T304-W343 HydrophobicContact CG2-CZ2 3.89Å; L311-W343 HydrophobicContact CD2-CH2 3.73Å; L311-W343 HydrophobicContact CD2-CZ2 4.13Å; P312-W343 HydrophobicContact CG-CD2 3.46Å; P312-W343 VanDerWaalsContact CG-CD2 3.46Å; P312-W343 HydrophobicContact CG-CE3 3.87Å; P312-W343 HydrophobicContact CG-CG 3.77Å; P312-W343 HydrophobicContact CG-CH2 4.35Å; P312-W343 HydrophobicContact CG-CZ2 3.96Å; P312-W343 HydrophobicContact CG-CZ3 4.31Å; E314-W343 HydrophobicContact CB-CB 4.05Å; E314-W343 HydrophobicContact CG-CB 4.49Å; A315-W343 HydrophobicContact CB-CE3 4.03Å; A315-W343 HydrophobicContact CB-CH2 4.05Å; A315-W343 HydrophobicContact CB-CZ3 3.41Å; A315-W343 VanDerWaalsContact CB-CZ3 3.41Å; I318-W343 HydrophobicContact CD1-CE3 3.76Å; I318-W343 HydrophobicContact CD1-CZ3 4.32Å; L336-W343 HydrophobicContact CD1-CD2 4Å; L336-W343 HydrophobicContact CD1-CE3 3.66Å; L336-W343 HydrophobicContact CD1-CH2 3.63Å; L336-W343 HydrophobicContact CD1-CZ2 3.99Å; L336-W343 HydrophobicContact CD1-CZ3 3.44Å; L336-W343 VanDerWaalsContact CD1-CZ3 3.44Å; L336-W343 HydrophobicContact CD2-CD2 3.76Å; L336-W343 HydrophobicContact CD2-CE3 4.21Å; L336-W343 HydrophobicContact CD2-CG 3.95Å; L336-W343 HydrophobicContact CD2-CZ2 4.46Å; P340-W343 PolarHBondContact O-NE1 3.37Å; W343-Y345 VanDerWaalsContact C-N 3.29Å; W343-Y345 PolarHBondContact O-N 3.12Å; W343-Y346 PolarHBondContact O-N 2.74Å; W343-L347 WeakPolarHBondContact O-CB 3.49Å; W343-L347 PolarHBondContact O-N 2.96Å
344D82.3Confident75Confident69 Ų6968.6 Ų68.637%0.36931%0.314SS..Hα-helixtrans-66.1-30.6-179.217958.5000112.9R342 R348R342-D344 PolarHBondContact O-N 3.16Å; D344-R348 WeakPolarHBondContact O-CB 3.25Å; D344-R348 WeakPolarHBondContact O-CG 3.39Å; D344-R348 PolarHBondContact O-N 3.34Å; D344-R348 IonicContact OD1-NE 3.82Å; D344-R348 IonicContact OD2-CZ 3.32Å; D344-R348 IonicContact OD2-NE 2.82Å; D344-R348 PolarHBondContact OD2-NE 3.31Å; D344-R348 IonicContact OD2-NH2 3.49Å; D344-R348 PolarHBondContact OD2-NH2 2.93Å
345Y79.9Confident73.7Confident97 Ų9773.1 Ų73.138%0.3833%0.333SS..Hα-helixtrans-65.5-50.4175.7173.4-94.5000111.4R342 W343 L347 R348 Q349R342-Y345 WeakPolarHBondContact O-CB 3.48Å; R342-Y345 PolarHBondContact O-N 2.81Å; W343-Y345 VanDerWaalsContact C-N 3.29Å; W343-Y345 PolarHBondContact O-N 3.12Å; Y345-L347 VanDerWaalsContact C-N 3.33Å; Y345-L347 PolarHBondContact O-N 3.06Å; Y345-R348 PolarHBondContact O-N 3.21Å; Y345-Q349 PolarHBondContact O-N 3.42Å
346Y76.3Confident72.5Confident4 Ų480.9 Ų80.92%0.01637%0.366CS..Hα-helixtrans-67.7-33.7179.1-66.8-55.5000112.2L335 L336 R342 W343 Q349 L350 A375L335-Y346 HydrophobicContact CB-CE2 4.09Å; L335-Y346 HydrophobicContact CD1-CD1 4.32Å; L335-Y346 HydrophobicContact CD1-CE1 3.91Å; L336-Y346 HydrophobicContact CD2-CD2 3.78Å; L336-Y346 HydrophobicContact CD2-CE2 4.17Å; L336-Y346 HydrophobicContact CG-CD2 4.31Å; R342-Y346 HydrophobicContact CB-CD2 3.92Å; R342-Y346 HydrophobicContact CB-CE2 3.58Å; R342-Y346 WeakPolarHBondContact O-CD2 3.35Å; R342-Y346 PolarHBondContact O-N 3.44Å; R342-Y346 VanDerWaalsContact O-N 3.09Å; W343-Y346 PolarHBondContact O-N 2.74Å; Y346-Q349 PolarHBondContact O-N 2.96Å; Y346-L350 WeakPolarHBondContact O-CG 3.25Å; Y346-L350 PolarHBondContact O-N 2.95Å; Y346-A375 HydrophobicContact CD1-CB 4.2Å; Y346-A375 HydrophobicContact CE1-CB 4.02Å
347L80.7Confident71.1Confident4 Ų483.7 Ų83.72%0.02138%0.377CS..Hα-helixtrans-62.5-43.8172.2-179.261.1000112E314 D317 I318 E321 W343 Y345 Q349 R351E314-L347 HydrophobicContact CB-CD2 4.27Å; E314-L347 HydrophobicContact CG-CD2 4.33Å; D317-L347 HydrophobicContact CB-CD1 3.8Å; D317-L347 HydrophobicContact CB-CD2 3.86Å; I318-L347 HydrophobicContact CD1-CB 4.45Å; I318-L347 HydrophobicContact CG1-CB 3.95Å; I318-L347 HydrophobicContact CG1-CD1 3.92Å; I318-L347 HydrophobicContact CG1-CG 4.46Å; E321-L347 HydrophobicContact CG-CD1 4.01Å; W343-L347 WeakPolarHBondContact O-CB 3.49Å; W343-L347 PolarHBondContact O-N 2.96Å; Y345-L347 VanDerWaalsContact C-N 3.33Å; Y345-L347 PolarHBondContact O-N 3.06Å; L347-Q349 VanDerWaalsContact C-N 3.33Å; L347-R351 WeakPolarHBondContact O-CG 3.46Å; L347-R351 PolarHBondContact O-N 3.14Å; L347-R351 VanDerWaalsContact O-N 3.16Å
348R78.2Confident69.6Low132 Ų13286.7 Ų86.750%0.49840%0.396SS..Hα-helixtrans-63.9-39.6174.5-79-172.9-87.5150.4-8.6111.9D344 Y345 R351 Q352D344-R348 WeakPolarHBondContact O-CB 3.25Å; D344-R348 WeakPolarHBondContact O-CG 3.39Å; D344-R348 PolarHBondContact O-N 3.34Å; D344-R348 IonicContact OD1-NE 3.82Å; D344-R348 IonicContact OD2-CZ 3.32Å; D344-R348 IonicContact OD2-NE 2.82Å; D344-R348 PolarHBondContact OD2-NE 3.31Å; D344-R348 IonicContact OD2-NH2 3.49Å; D344-R348 PolarHBondContact OD2-NH2 2.93Å; Y345-R348 PolarHBondContact O-N 3.21Å; R348-R351 PolarHBondContact O-N 2.96Å; R348-Q352 VanDerWaalsContact O-CG 3.25Å; R348-Q352 WeakPolarHBondContact O-CG 3.32Å; R348-Q352 PolarHBondContact O-N 2.83Å
349Q71.3Confident68.2Low26 Ų2692.5 Ų92.512%0.12141%0.412CS..Hα-helixtrans-63.8-46.5178.8-159.7170.88.200111.3Y345 Y346 L347 R351 Q352 Q371Y345-Q349 PolarHBondContact O-N 3.42Å; Y346-Q349 PolarHBondContact O-N 2.96Å; L347-Q349 VanDerWaalsContact C-N 3.33Å; Q349-R351 VanDerWaalsContact C-N 3.26Å; Q349-R351 PolarHBondContact O-N 3.38Å; Q349-Q352 PolarHBondContact O-N 3.24Å; Q349-Q352 VanDerWaalsContact O-N 3.16Å; Q349-Q371 PolarHBondContact O-NE2 3.06Å; Q349-Q371 PolarHBondContact O-OE1 3.33Å; Q349-Q371 VanDerWaalsContact O-OE1 3.06Å
350L69.8Low66.3Low9 Ų997.7 Ų97.75%0.04744%0.435CS..Hα-helixtrans-59.4-32.6174.7-76.5165.5000113.2I318 E321 I332 Y346 A368 Q371I318-L350 HydrophobicContact CG2-CD1 4.12Å; E321-L350 HydrophobicContact CB-CB 4.3Å; I332-L350 HydrophobicContact CD1-CD1 4.23Å; I332-L350 HydrophobicContact CG1-CD1 4.4Å; Y346-L350 WeakPolarHBondContact O-CG 3.25Å; Y346-L350 PolarHBondContact O-N 2.95Å; L350-A368 HydrophobicContact CD2-CB 4.25Å; L350-Q371 VanDerWaalsContact C-OE1 3.28Å; L350-Q371 VanDerWaalsContact CA-OE1 3.23Å; L350-Q371 PolarHBondContact O-OE1 3.44Å
351R75.4Confident64.1Low123 Ų12399.1 Ų99.146%0.46445%0.447SS..Hα-helixtrans-79.1-26.7177.3-75.2178.1173.8161.65.4113.9D317 E321 L347 R348 Q349 K353D317-R351 IonicContact OD2-NH2 3.34Å; D317-R351 PolarHBondContact OD2-NH2 2.95Å; E321-R351 HydrophobicContact CG-CG 4.31Å; E321-R351 WeakPolarHBondContact OE1-CG 3.35Å; E321-R351 IonicContact OE1-CZ 2.74Å; E321-R351 IonicContact OE1-NE 3.7Å; E321-R351 PolarHBondContact OE1-NE 3.01Å; E321-R351 IonicContact OE1-NH2 3.59Å; L347-R351 WeakPolarHBondContact O-CG 3.46Å; L347-R351 PolarHBondContact O-N 3.14Å; L347-R351 VanDerWaalsContact O-N 3.16Å; R348-R351 PolarHBondContact O-N 2.96Å; Q349-R351 VanDerWaalsContact C-N 3.26Å; Q349-R351 PolarHBondContact O-N 3.38Å; R351-K353 VanDerWaalsContact C-N 3.28Å; R351-K353 PolarHBondContact O-N 3.28Å
352Q65.6Low62Low109 Ų10995 Ų9551%0.50943%0.43SS..SBendtrans-75.5-8.8-171.6-81.5176.60.600114.6R348 Q349 Q354R348-Q352 VanDerWaalsContact O-CG 3.25Å; R348-Q352 WeakPolarHBondContact O-CG 3.32Å; R348-Q352 PolarHBondContact O-N 2.83Å; Q349-Q352 PolarHBondContact O-N 3.24Å; Q349-Q352 VanDerWaalsContact O-N 3.16Å; Q352-Q354 HydrophobicContact CB-CG 3.97Å; Q352-Q354 PolarHBondContact O-N 2.94Å; Q352-Q354 VanDerWaalsContact OE1-NE2 3.1Å
353K62.4Low59.6Low93 Ų9395.3 Ų95.340%0.40445%0.449SS..  trans36.246.1176.1-65-172.9166.5-132.10115.1R351 D367 Q371R351-K353 VanDerWaalsContact C-N 3.28Å; R351-K353 PolarHBondContact O-N 3.28Å; K353-D367 WeakPolarHBondContact CD-OD2 3.22Å; K353-D367 WeakPolarHBondContact CE-OD2 3.32Å; K353-D367 HydrophobicContact CG-CB 4.43Å; K353-D367 IonicContact NZ-OD2 3.26Å; K353-D367 PolarHBondContact NZ-OD2 3.43Å; K353-Q371 VanDerWaalsContact CA-NE2 3.31Å
354Q51.1Low58Low132 Ų132100.5 Ų100.562%0.61747%0.469SS*.  trans-74-30.2-169-70.1-176.1-11.800113.5Q352 Q371Q352-Q354 HydrophobicContact CB-CG 3.97Å; Q352-Q354 PolarHBondContact O-N 2.94Å; Q352-Q354 VanDerWaalsContact OE1-NE2 3.1Å; Q354-Q371 VanDerWaalsContact N-NE2 3.17Å
355F49.2Very low56.4Low100 Ų100102.1 Ų102.144%0.43948%0.478SS..  trans-89.9109.6176.9-79.5-88.2000109.5A374F355-A374 HydrophobicContact CE2-CB 4.15Å
356K50.8Low55.5Low170 Ų170100.2 Ų100.274%0.73947%0.47SS*.  trans-106.6115.9169.2-72.8-177.2178.5173.80108.2I358K356-I358 PolarHBondContact O-N 2.68Å
357R50.9Low54.9Low59 Ų59101.8 Ų101.822%0.22348%0.479CS..  trans-55133.4169.5-62-163.2176.8-167.5-5.5109.8R359 D370 E452R357-R359 PolarHBondContact O-N 3.12Å; R357-D370 IonicContact CZ-OD2 3.02Å; R357-D370 IonicContact NE-OD1 2.79Å; R357-D370 IonicContact NE-OD2 3.21Å; R357-D370 PolarHBondContact NE-OD2 2.99Å; R357-D370 IonicContact NH2-OD1 2.82Å; R357-D370 PolarHBondContact NH2-OD1 3.44Å; R357-D370 VanDerWaalsContact NH2-OD1 3.16Å; R357-D370 IonicContact NH2-OD2 3.81Å; R357-E452 WeakPolarHBondContact CD-OE1 3.4Å; R357-E452 VanDerWaalsContact CD-OE2 3.32Å; R357-E452 WeakPolarHBondContact CD-OE2 3.49Å; R357-E452 WeakPolarHBondContact CG-OE2 3.43Å; R357-E452 IonicContact CZ-OE2 3.89Å; R357-E452 IonicContact NE-OE1 2.77Å; R357-E452 IonicContact NE-OE2 3.59Å; R357-E452 PolarHBondContact NE-OE2 3.38Å
358I46Very low54Low159 Ų159102.5 Ų102.582%0.81549%0.485SS*.SBendtrans-70-23.8-179-63.6169.4000110.9K356K356-I358 PolarHBondContact O-N 2.68Å
359R43.1Very low53.6Low199 Ų19996.6 Ų96.675%0.75146%0.464SS*.  trans-99.4100.3171.6-79.5-175.4174.5176.5-1.9111.2R357 S361R357-R359 PolarHBondContact O-N 3.12Å; R359-S361 PolarHBondContact O-N 2.94Å
360K36.1Very low53.6Low203 Ų20395.5 Ų95.588%0.88346%0.459SS*.  trans-93.856.3177.8-147-177.8-168.2-170.70111.2
361S30.9Very low53.6Low108 Ų10895.4 Ų95.476%0.75546%0.458SS*.  trans-113.21.6-171.854.20000115.5R359R359-S361 PolarHBondContact O-N 2.94Å
362S35.1Very low53.1Low71 Ų7189.5 Ų89.550%0.49744%0.436SS..SBendtrans-120.7143.4167.9860000110.4Y364S362-Y364 PolarHBondContact O-N 2.94Å
363S33Very low53.5Low114 Ų11484.3 Ų84.380%0.79741%0.412SS*.SBendtrans-68.613.6-17946.10000114.8
364Y49.8Very low54Low130 Ų13080.3 Ų80.351%0.5140%0.396SS..  trans-108.5124.1-172.8-65.5-74.3000112M158 S362 Y366M158-Y364 HydrophobicContact CE-CD1 4.04Å; M158-Y364 HydrophobicContact CE-CE1 4.05Å; S362-Y364 PolarHBondContact O-N 2.94Å; Y364-Y366 PolarHBondContact O-N 3.47Å
365D49.8Very low54.9Low102 Ų10274.1 Ų74.155%0.54537%0.367SS..  trans-80.188178.5-77.3-14.4000111.1K323 D367K323-D365 IonicContact NZ-OD2 2.86Å; K323-D365 PolarHBondContact NZ-OD2 3.41Å; D365-D367 VanDerWaalsContact C-N 3.28Å
366Y60.3Low56.1Low57 Ų5769.5 Ų69.522%0.22435%0.347CS..  trans-81.90.4174.7-69.5-74.8000114.5Y364 A368 L369 D370 L445Y364-Y366 PolarHBondContact O-N 3.47Å; Y366-A368 VanDerWaalsContact C-N 3.26Å; Y366-A368 PolarHBondContact O-N 3.14Å; Y366-A368 VanDerWaalsContact O-N 3.08Å; Y366-L369 PolarHBondContact O-N 2.96Å; Y366-D370 PolarHBondContact O-N 3.29Å; Y366-L445 HydrophobicContact CD1-CD2 4.08Å; Y366-L445 HydrophobicContact CE1-CD1 4.16Å; Y366-L445 HydrophobicContact CE1-CD2 3.52Å
367D63.8Low57.4Low37 Ų3761.8 Ų61.820%0.19831%0.314CS..Hα-helixtrans-48.8-41.4-175-63.2-12.1000113.8K353 D365 Q371K353-D367 WeakPolarHBondContact CD-OD2 3.22Å; K353-D367 WeakPolarHBondContact CE-OD2 3.32Å; K353-D367 HydrophobicContact CG-CB 4.43Å; K353-D367 IonicContact NZ-OD2 3.26Å; K353-D367 PolarHBondContact NZ-OD2 3.43Å; D365-D367 VanDerWaalsContact C-N 3.28Å; D367-Q371 VanDerWaalsContact O-CG 3.28Å; D367-Q371 WeakPolarHBondContact O-CG 3.41Å; D367-Q371 PolarHBondContact O-N 3.07Å
368A61.9Low58.7Low19 Ų1964.4 Ų64.416%0.15733%0.329CS..Hα-helixtrans-70.5-31.1-177.200000113.3L350 Y366 A372L350-A368 HydrophobicContact CD2-CB 4.25Å; Y366-A368 VanDerWaalsContact C-N 3.26Å; Y366-A368 PolarHBondContact O-N 3.14Å; Y366-A368 VanDerWaalsContact O-N 3.08Å; A368-A372 WeakPolarHBondContact O-CB 3.37Å; A368-A372 PolarHBondContact O-N 2.89Å
369L69.9Low60.1Low8 Ų858.5 Ų58.54%0.04230%0.3CS..Hα-helixtrans-75.3-47.7178.4179.167.4000110.9L327 V328 L331 Y366 Q371 A372 M373 L445L327-L369 HydrophobicContact CD2-CD1 4.06Å; L327-L369 HydrophobicContact CG-CD1 4.32Å; V328-L369 HydrophobicContact CG2-CB 3.96Å; V328-L369 HydrophobicContact CG2-CD1 3.77Å; V328-L369 HydrophobicContact CG2-CG 4.46Å; L331-L369 HydrophobicContact CD1-CD1 3.71Å; Y366-L369 PolarHBondContact O-N 2.96Å; L369-Q371 PolarHBondContact O-N 3.07Å; L369-A372 PolarHBondContact O-N 3.39Å; L369-A372 VanDerWaalsContact O-N 3.15Å; L369-M373 HydrophobicContact CD1-CG 4.47Å; L369-M373 WeakPolarHBondContact O-CG 3.45Å; L369-M373 PolarHBondContact O-N 3.47Å; L369-L445 HydrophobicContact CD2-CB 3.51Å; L369-L445 HydrophobicContact CD2-CD1 3.68Å; L369-L445 HydrophobicContact CD2-CG 4.14Å
370D70.1Confident61.8Low3 Ų349.2 Ų49.22%0.01627%0.266CS..Hα-helixtrans-58.1-37.9-179.7-67.5-13.3000110.4R357 Y366 A374 F449R357-D370 IonicContact CZ-OD2 3.02Å; R357-D370 IonicContact NE-OD1 2.79Å; R357-D370 IonicContact NE-OD2 3.21Å; R357-D370 PolarHBondContact NE-OD2 2.99Å; R357-D370 IonicContact NH2-OD1 2.82Å; R357-D370 PolarHBondContact NH2-OD1 3.44Å; R357-D370 VanDerWaalsContact NH2-OD1 3.16Å; R357-D370 IonicContact NH2-OD2 3.81Å; Y366-D370 PolarHBondContact O-N 3.29Å; D370-A374 WeakPolarHBondContact O-CB 3.19Å; D370-A374 PolarHBondContact O-N 3.09Å; D370-F449 HydrophobicContact CB-CD2 3.76Å; D370-F449 HydrophobicContact CB-CE2 3.9Å; D370-F449 WeakPolarHBondContact O-CE2 3.36Å
371Q71.1Confident63.9Low7 Ų742.6 Ų42.63%0.03324%0.243CC..Hα-helixtrans-72.5-41.4176.3-69.3-169.9-47.200114Q349 L350 K353 Q354 D367 L369 M373 A374 A375Q349-Q371 PolarHBondContact O-NE2 3.06Å; Q349-Q371 PolarHBondContact O-OE1 3.33Å; Q349-Q371 VanDerWaalsContact O-OE1 3.06Å; L350-Q371 VanDerWaalsContact C-OE1 3.28Å; L350-Q371 VanDerWaalsContact CA-OE1 3.23Å; L350-Q371 PolarHBondContact O-OE1 3.44Å; K353-Q371 VanDerWaalsContact CA-NE2 3.31Å; Q354-Q371 VanDerWaalsContact N-NE2 3.17Å; D367-Q371 VanDerWaalsContact O-CG 3.28Å; D367-Q371 WeakPolarHBondContact O-CG 3.41Å; D367-Q371 PolarHBondContact O-N 3.07Å; L369-Q371 PolarHBondContact O-N 3.07Å; Q371-M373 VanDerWaalsContact C-N 3.26Å; Q371-M373 PolarHBondContact O-N 2.81Å; Q371-A374 PolarHBondContact O-N 3.39Å; Q371-A375 WeakPolarHBondContact O-CB 3.47Å; Q371-A375 PolarHBondContact O-N 3.35Å
372A64.8Low66.2Low0 Ų043 Ų430%024%0.237CC..Hα-helixtrans-62.5-36.9175.200000111.5V328 L331 I332 A368 L369 S376V328-A372 HydrophobicContact CG1-CB 4.05Å; L331-A372 HydrophobicContact CB-CB 4.26Å; L331-A372 HydrophobicContact CD1-CB 4.42Å; I332-A372 HydrophobicContact CD1-CB 3.74Å; I332-A372 HydrophobicContact CG1-CB 4.07Å; A368-A372 WeakPolarHBondContact O-CB 3.37Å; A368-A372 PolarHBondContact O-N 2.89Å; L369-A372 PolarHBondContact O-N 3.39Å; L369-A372 VanDerWaalsContact O-N 3.15Å; A372-S376 WeakPolarHBondContact O-CB 3.5Å; A372-S376 PolarHBondContact O-N 2.96Å; A372-S376 PolarHBondContact O-OG 2.99Å
373M73.6Confident68.5Low0 Ų046.1 Ų46.10%024%0.244CC..Hα-helixtrans-67.5-48.8174.5-77.1-166.267.200112.6L331 L369 Q371 A375 S376 I377 Q446 F449L331-M373 HydrophobicContact CD1-CG 4.13Å; L369-M373 HydrophobicContact CD1-CG 4.47Å; L369-M373 WeakPolarHBondContact O-CG 3.45Å; L369-M373 PolarHBondContact O-N 3.47Å; Q371-M373 VanDerWaalsContact C-N 3.26Å; Q371-M373 PolarHBondContact O-N 2.81Å; M373-A375 VanDerWaalsContact C-N 3.3Å; M373-A375 PolarHBondContact O-N 3.05Å; M373-S376 WeakPolarHBondContact O-CB 3.31Å; M373-S376 PolarHBondContact O-N 3.16Å; M373-I377 WeakPolarHBondContact O-CG1 3.48Å; M373-I377 PolarHBondContact O-N 3.36Å; M373-Q446 HydrophobicContact CE-CB 3.64Å; M373-Q446 HydrophobicContact CE-CG 3.83Å; M373-Q446 HydrophobicContact SD-CB 4.03Å; M373-Q446 HydrophobicContact SD-CG 3.81Å; M373-F449 HydrophobicContact CB-CD1 4.02Å; M373-F449 HydrophobicContact CB-CD2 4.37Å; M373-F449 HydrophobicContact CB-CE1 3.94Å; M373-F449 HydrophobicContact CB-CE2 4.28Å; M373-F449 HydrophobicContact CB-CG 4.23Å; M373-F449 HydrophobicContact CB-CZ 4.07Å; M373-F449 HydrophobicContact CE-CB 4.01Å; M373-F449 HydrophobicContact CE-CD1 3.4Å; M373-F449 HydrophobicContact CE-CE1 4.16Å; M373-F449 HydrophobicContact CE-CG 3.9Å; M373-F449 HydrophobicContact SD-CB 3.73Å; M373-F449 HydrophobicContact SD-CD1 3.9Å; M373-F449 HydrophobicContact SD-CG 3.78Å
374A72.9Confident70.9Confident9 Ų942.2 Ų42.27%0.07421%0.213CC..Hα-helixtrans-56.3-46.2177.200000111.6F355 D370 Q371 S376 I377 E378 F449F355-A374 HydrophobicContact CE2-CB 4.15Å; D370-A374 WeakPolarHBondContact O-CB 3.19Å; D370-A374 PolarHBondContact O-N 3.09Å; Q371-A374 PolarHBondContact O-N 3.39Å; A374-S376 VanDerWaalsContact C-N 3.31Å; A374-S376 PolarHBondContact O-N 2.83Å; A374-I377 PolarHBondContact O-N 3.5Å; A374-E378 PolarHBondContact O-N 2.87Å; A374-F449 HydrophobicContact CB-CZ 4.08Å
375A70.6Confident72.4Confident2 Ų239.3 Ų39.32%0.01720%0.201CC..Hα-helixtrans-61.7-37176.500000112.8L335 Y346 Q371 M373 V379L335-A375 HydrophobicContact CD1-CB 3.82Å; Y346-A375 HydrophobicContact CD1-CB 4.2Å; Y346-A375 HydrophobicContact CE1-CB 4.02Å; Q371-A375 WeakPolarHBondContact O-CB 3.47Å; Q371-A375 PolarHBondContact O-N 3.35Å; M373-A375 VanDerWaalsContact C-N 3.3Å; M373-A375 PolarHBondContact O-N 3.05Å; A375-V379 WeakPolarHBondContact O-CG2 3.44Å
376S73.9Confident74.1Confident3 Ų340.8 Ų40.82%0.02120%0.204CC..Hα-helixtrans-69.5-37.9177.8-59.40000112.6L335 A372 M373 A374 V379L335-S376 WeakPolarHBondContact CD1-OG 3.43Å; A372-S376 WeakPolarHBondContact O-CB 3.5Å; A372-S376 PolarHBondContact O-N 2.96Å; A372-S376 PolarHBondContact O-OG 2.99Å; M373-S376 WeakPolarHBondContact O-CB 3.31Å; M373-S376 PolarHBondContact O-N 3.16Å; A374-S376 VanDerWaalsContact C-N 3.31Å; A374-S376 PolarHBondContact O-N 2.83Å; S376-V379 PolarHBondContact O-N 3.12Å
377I77.1Confident75.4Confident8 Ų840.6 Ų40.64%0.04120%0.203CC..Hα-helixtrans-73.5-34.5179.7-65.2164.1000111.7M373 A374 V379 L380 R385 Y388 F449 L450M373-I377 WeakPolarHBondContact O-CG1 3.48Å; M373-I377 PolarHBondContact O-N 3.36Å; A374-I377 PolarHBondContact O-N 3.5Å; I377-V379 PolarHBondContact O-N 3.46Å; I377-L380 WeakPolarHBondContact O-CB 3.43Å; I377-L380 PolarHBondContact O-N 2.94Å; I377-R385 HydrophobicContact CG2-CG 3.77Å; I377-R385 PolarHBondContact O-NE 3.23Å; I377-R385 VanDerWaalsContact O-NE 3.13Å; I377-Y388 HydrophobicContact CD1-CD1 4.21Å; I377-Y388 HydrophobicContact CD1-CE1 3.89Å; I377-Y388 HydrophobicContact CG1-CD1 4.05Å; I377-Y388 HydrophobicContact CG1-CE1 3.93Å; I377-F449 HydrophobicContact CD1-CD1 4.37Å; I377-F449 HydrophobicContact CD1-CE1 3.62Å; I377-F449 HydrophobicContact CD1-CZ 4.49Å; I377-L450 HydrophobicContact CD1-CD2 4.42Å
378E78.3Confident76.5Confident113 Ų11338.9 Ų38.953%0.52819%0.194SC..Hα-helixtrans-64-28.3175-78-177.2174.100112.9A374 L380 R385A374-E378 PolarHBondContact O-N 2.87Å; E378-L380 VanDerWaalsContact C-N 3.33Å; E378-R385 PolarHBondContact O-NH2 3.43Å
379V76.8Confident77.7Confident36 Ų3640.8 Ų40.822%0.21820%0.199CC..THydrogen-bonded Turntrans-79.5-14.9-179.7175.20000112.6L335 A375 S376 I377L335-V379 HydrophobicContact CD2-CB 4.08Å; L335-V379 HydrophobicContact CD2-CG1 4.46Å; L335-V379 HydrophobicContact CD2-CG2 3.75Å; A375-V379 WeakPolarHBondContact O-CG2 3.44Å; S376-V379 PolarHBondContact O-N 3.12Å; I377-V379 PolarHBondContact O-N 3.46Å
380L77.1Confident78.6Confident4 Ų440.8 Ų40.82%0.02120%0.199CC..SBendtrans-68.8146.1175.8-71.8168000112I377 E378 H384 R385 Y388 F423 K426 L428I377-L380 WeakPolarHBondContact O-CB 3.43Å; I377-L380 PolarHBondContact O-N 2.94Å; E378-L380 VanDerWaalsContact C-N 3.33Å; L380-H384 HydrophobicContact CD2-CB 4.4Å; L380-R385 HydrophobicContact CB-CB 4.43Å; L380-R385 PolarHBondContact O-NH2 3.47Å; L380-Y388 HydrophobicContact CD1-CG 4.39Å; L380-F423 HydrophobicContact CD1-CD1 4.38Å; L380-F423 HydrophobicContact CD1-CE1 3.99Å; L380-F423 HydrophobicContact CD2-CD1 4.06Å; L380-F423 HydrophobicContact CD2-CE1 3.89Å; L380-K426 HydrophobicContact CD2-CD 3.71Å; L380-L428 HydrophobicContact CD1-CD1 3.9Å
381P80.4Confident79.4Confident64 Ų6440.8 Ų40.842%0.41620%0.199SC..  trans-52.9148.1165.6-22.532.2000111.4E383 H384 R385P381-E383 VanDerWaalsContact C-N 3.28Å; P381-E383 PolarHBondContact O-N 3.29Å; P381-H384 HydrophobicContact CB-CB 4.4Å; P381-H384 PolarHBondContact O-N 2.83Å; P381-R385 PolarHBondContact O-N 3.14Å
382D80.1Confident80.2Confident115 Ų11540.6 Ų40.662%0.61520%0.198SC*.Hα-helixtrans-59.7-37.7-173.4-67.2-40.2000112.5R385 E386D382-R385 WeakPolarHBondContact O-CB 3.13Å; D382-R385 PolarHBondContact O-N 3.15Å; D382-R385 IonicContact OD1-CZ 2.69Å; D382-R385 IonicContact OD1-NH1 2.8Å; D382-R385 PolarHBondContact OD1-NH1 2.89Å; D382-R385 IonicContact OD1-NH2 3.62Å; D382-R385 PolarHBondContact OD1-NH2 3.32Å; D382-E386 PolarHBondContact O-N 3.29Å; D382-E386 VanDerWaalsContact O-N 3.16Å
383E82.7Confident81.2Confident138 Ų13840.7 Ų40.765%0.64520%0.199SC*.Hα-helixtrans-62.1-45.1173.8-66.9-177.7-179.500112.6P381 R385 E386 R387P381-E383 VanDerWaalsContact C-N 3.28Å; P381-E383 PolarHBondContact O-N 3.29Å; E383-R385 VanDerWaalsContact C-N 3.29Å; E383-R385 PolarHBondContact O-N 3.16Å; E383-E386 PolarHBondContact O-N 2.83Å; E383-R387 WeakPolarHBondContact O-CG 3.47Å; E383-R387 PolarHBondContact O-N 3.31Å; E383-R387 VanDerWaalsContact O-N 3.14Å
384H82.8Confident81.8Confident31 Ų3140.8 Ų40.814%0.14420%0.199CC..Hα-helixtrans-71.1-28.7179.4-69.5-168.2000111.5L380 P381 R387 Y388 E422 F423L380-H384 HydrophobicContact CD2-CB 4.4Å; P381-H384 HydrophobicContact CB-CB 4.4Å; P381-H384 PolarHBondContact O-N 2.83Å; H384-R387 PolarHBondContact O-N 3.06Å; H384-Y388 WeakPolarHBondContact O-CB 3.22Å; H384-Y388 PolarHBondContact O-N 3.1Å; H384-E422 IonicContact CE1-OE2 3.49Å; H384-E422 PolarHBondContact CE1-OE2 2.75Å; H384-E422 IonicContact ND1-OE2 3.51Å; H384-E422 PolarHBondContact ND1-OE2 2.83Å; H384-F423 HydrophobicContact CB-CE1 4.09Å; H384-F423 HydrophobicContact CB-CZ 4.3Å; H384-F423 WeakPolarHBondContact O-CZ 3.4Å
385R82.9Confident82.1Confident69 Ų6942.9 Ų42.926%0.2621%0.207SC..Hα-helixtrans-65.9-41.3174.2-166.4-176-60.8135.211111.4I377 E378 L380 P381 D382 E383 Y388 K389I377-R385 HydrophobicContact CG2-CG 3.77Å; I377-R385 PolarHBondContact O-NE 3.23Å; I377-R385 VanDerWaalsContact O-NE 3.13Å; E378-R385 PolarHBondContact O-NH2 3.43Å; L380-R385 HydrophobicContact CB-CB 4.43Å; L380-R385 PolarHBondContact O-NH2 3.47Å; P381-R385 PolarHBondContact O-N 3.14Å; D382-R385 WeakPolarHBondContact O-CB 3.13Å; D382-R385 PolarHBondContact O-N 3.15Å; D382-R385 IonicContact OD1-CZ 2.69Å; D382-R385 IonicContact OD1-NH1 2.8Å; D382-R385 PolarHBondContact OD1-NH1 2.89Å; D382-R385 IonicContact OD1-NH2 3.62Å; D382-R385 PolarHBondContact OD1-NH2 3.32Å; E383-R385 VanDerWaalsContact C-N 3.29Å; E383-R385 PolarHBondContact O-N 3.16Å; R385-Y388 PolarHBondContact O-N 3.38Å; R385-K389 WeakPolarHBondContact O-CG 3.26Å; R385-K389 PolarHBondContact O-N 2.67Å; R385-K389 VanDerWaalsContact O-N 3.13Å
386E85.3Confident82.4Confident133 Ų13346 Ų4662%0.62122%0.221SC*.Hα-helixtrans-65.5-43.6174.1-69.9-164.2161.400111.8D382 E383 Y388 K389 D390D382-E386 PolarHBondContact O-N 3.29Å; D382-E386 VanDerWaalsContact O-N 3.16Å; E383-E386 PolarHBondContact O-N 2.83Å; E386-Y388 VanDerWaalsContact C-N 3.33Å; E386-Y388 PolarHBondContact O-N 3.18Å; E386-K389 WeakPolarHBondContact O-CB 3.17Å; E386-K389 PolarHBondContact O-N 2.71Å; E386-K389 VanDerWaalsContact O-N 3.12Å; E386-D390 PolarHBondContact O-N 3.32Å; E386-D390 VanDerWaalsContact O-N 3.12Å
387R86.8Confident82.2Confident54 Ų5447.7 Ų47.720%0.20423%0.229CC..Hα-helixtrans-62.6-37.8175.7-69.7179.3-179156.40.3112.8E383 H384 K389 D390 W409E383-R387 WeakPolarHBondContact O-CG 3.47Å; E383-R387 PolarHBondContact O-N 3.31Å; E383-R387 VanDerWaalsContact O-N 3.14Å; H384-R387 PolarHBondContact O-N 3.06Å; R387-K389 VanDerWaalsContact C-N 3.31Å; R387-K389 PolarHBondContact O-N 3.1Å; R387-D390 WeakPolarHBondContact O-CB 3.16Å; R387-D390 PolarHBondContact O-N 3.38Å; R387-W409 HydrophobicContact CB-CD2 4.48Å; R387-W409 HydrophobicContact CB-CH2 4.32Å; R387-W409 HydrophobicContact CB-CZ2 3.71Å; R387-W409 HydrophobicContact CG-CD2 4.24Å; R387-W409 HydrophobicContact CG-CG 4.42Å; R387-W409 HydrophobicContact CG-CZ2 4.36Å; R387-W409 WeakPolarHBondContact O-CZ2 3.27Å
388Y87.3Confident82.2Confident1 Ų148 Ų480%0.00423%0.232CC..Hα-helixtrans-67.2-32.5175.5-166.5-103.6000112.1I377 L380 H384 R385 E386 D390 L391 F423 L428 L442 L450I377-Y388 HydrophobicContact CD1-CD1 4.21Å; I377-Y388 HydrophobicContact CD1-CE1 3.89Å; I377-Y388 HydrophobicContact CG1-CD1 4.05Å; I377-Y388 HydrophobicContact CG1-CE1 3.93Å; L380-Y388 HydrophobicContact CD1-CG 4.39Å; H384-Y388 WeakPolarHBondContact O-CB 3.22Å; H384-Y388 PolarHBondContact O-N 3.1Å; R385-Y388 PolarHBondContact O-N 3.38Å; E386-Y388 VanDerWaalsContact C-N 3.33Å; E386-Y388 PolarHBondContact O-N 3.18Å; Y388-D390 VanDerWaalsContact C-N 3.34Å; Y388-L391 HydrophobicContact CD2-CD1 3.8Å; Y388-L391 HydrophobicContact CE2-CD1 4.03Å; Y388-L391 WeakPolarHBondContact O-CB 3.31Å; Y388-L391 PolarHBondContact O-N 3Å; Y388-F423 HydrophobicContact CD2-CD1 4.05Å; Y388-F423 HydrophobicContact CD2-CD2 4.04Å; Y388-F423 HydrophobicContact CD2-CE1 4.05Å; Y388-F423 HydrophobicContact CD2-CE2 4.05Å; Y388-F423 HydrophobicContact CD2-CG 4.05Å; Y388-F423 HydrophobicContact CD2-CZ 4.06Å; Y388-F423 HydrophobicContact CG-CE1 4.46Å; Y388-F423 HydrophobicContact CG-CZ 4.45Å; Y388-L428 HydrophobicContact CE2-CB 3.7Å; Y388-L428 HydrophobicContact CE2-CD1 4.33Å; Y388-L428 HydrophobicContact CE2-CG 4.5Å; Y388-L428 PolarHBondContact OH-O 3.39Å; Y388-L428 VanDerWaalsContact OH-O 3.14Å; Y388-L442 HydrophobicContact CE2-CD2 4.43Å; Y388-L450 HydrophobicContact CD1-CD2 4.13Å; Y388-L450 HydrophobicContact CE1-CD1 3.92Å; Y388-L450 HydrophobicContact CE1-CD2 3.86Å; Y388-L450 HydrophobicContact CE1-CG 4.3Å
389K87.2Confident82.2Confident58 Ų5845.4 Ų45.425%0.25222%0.218SC..Hα-helixtrans-65-36.8170.7-69.5172.9-177.8178.90111.9R385 E386 R387 L391 T392R385-K389 WeakPolarHBondContact O-CG 3.26Å; R385-K389 PolarHBondContact O-N 2.67Å; R385-K389 VanDerWaalsContact O-N 3.13Å; E386-K389 WeakPolarHBondContact O-CB 3.17Å; E386-K389 PolarHBondContact O-N 2.71Å; E386-K389 VanDerWaalsContact O-N 3.12Å; R387-K389 VanDerWaalsContact C-N 3.31Å; R387-K389 PolarHBondContact O-N 3.1Å; K389-L391 PolarHBondContact O-N 3.1Å; K389-L391 VanDerWaalsContact O-N 3.11Å; K389-T392 WeakPolarHBondContact O-CB 3.47Å; K389-T392 WeakPolarHBondContact O-CG2 3.32Å; K389-T392 PolarHBondContact O-N 3.21Å; K389-T392 PolarHBondContact O-OG1 3.22Å; K389-T392 VanDerWaalsContact O-OG1 3.08Å
390D87.9Confident82.5Confident9 Ų943.9 Ų43.95%0.04821%0.209CC..Hα-helixtrans-58.5-26.3177.5-67.4-36.3000112.3E386 R387 Y388 T392 V393 L408 W409 L461 K464E386-D390 PolarHBondContact O-N 3.32Å; E386-D390 VanDerWaalsContact O-N 3.12Å; R387-D390 WeakPolarHBondContact O-CB 3.16Å; R387-D390 PolarHBondContact O-N 3.38Å; Y388-D390 VanDerWaalsContact C-N 3.34Å; D390-T392 PolarHBondContact O-N 2.85Å; D390-T392 VanDerWaalsContact O-N 3.14Å; D390-V393 WeakPolarHBondContact O-CG2 3.35Å; D390-V393 PolarHBondContact O-N 2.77Å; D390-L408 HydrophobicContact CB-CD2 4.02Å; D390-W409 PolarHBondContact OD2-NE1 3.3Å; D390-L461 WeakPolarHBondContact OD1-CD2 3.28Å; D390-K464 IonicContact OD1-NZ 3.9Å; D390-K464 PolarHBondContact OD1-NZ 2.87Å; D390-K464 IonicContact OD2-NZ 3.63Å; D390-K464 PolarHBondContact OD2-NZ 3.06Å
391L87.8Confident82.8Confident2 Ų244.6 Ų44.61%0.0121%0.214CC..G310 helixtrans-67.2-9.7177.4-58.2-180000114.1Y388 K389 V393 F394 L405 W409 F423 L429 L442Y388-L391 HydrophobicContact CD2-CD1 3.8Å; Y388-L391 HydrophobicContact CE2-CD1 4.03Å; Y388-L391 WeakPolarHBondContact O-CB 3.31Å; Y388-L391 PolarHBondContact O-N 3Å; K389-L391 PolarHBondContact O-N 3.1Å; K389-L391 VanDerWaalsContact O-N 3.11Å; L391-V393 PolarHBondContact O-N 3.06Å; L391-F394 HydrophobicContact CB-CD2 4.42Å; L391-F394 HydrophobicContact CD2-CD2 4.21Å; L391-F394 HydrophobicContact CD2-CE2 3.8Å; L391-F394 WeakPolarHBondContact O-CD2 3.28Å; L391-L405 HydrophobicContact CD2-CD1 4.48Å; L391-L405 HydrophobicContact CD2-CD2 3.61Å; L391-W409 HydrophobicContact CD2-CH2 4.46Å; L391-W409 HydrophobicContact CD2-CZ2 4.17Å; L391-F423 HydrophobicContact CD1-CD2 4.41Å; L391-F423 HydrophobicContact CD1-CE2 4.44Å; L391-L429 HydrophobicContact CD1-CD1 4.46Å; L391-L442 HydrophobicContact CB-CD1 3.97Å; L391-L442 HydrophobicContact CD1-CD1 4.41Å
392T87.3Confident82.9Confident4 Ų442 Ų423%0.02520%0.198CC..G310 helixtrans-64.8-18.7176.966.50000113.3K389 D390 F394 L450 N454 L461K389-T392 WeakPolarHBondContact O-CB 3.47Å; K389-T392 WeakPolarHBondContact O-CG2 3.32Å; K389-T392 PolarHBondContact O-N 3.21Å; K389-T392 PolarHBondContact O-OG1 3.22Å; K389-T392 VanDerWaalsContact O-OG1 3.08Å; D390-T392 PolarHBondContact O-N 2.85Å; D390-T392 VanDerWaalsContact O-N 3.14Å; T392-F394 VanDerWaalsContact C-N 3.28Å; T392-F394 PolarHBondContact O-N 3.44Å; T392-L450 HydrophobicContact CG2-CB 3.69Å; T392-L450 HydrophobicContact CG2-CD1 4.45Å; T392-L450 HydrophobicContact CG2-CD2 4.16Å; T392-L450 HydrophobicContact CG2-CG 4.32Å; T392-N454 HydrophobicContact CG2-CB 4.1Å; T392-N454 VanDerWaalsContact CG2-ND2 3.27Å; T392-N454 WeakPolarHBondContact CG2-ND2 3.45Å; T392-L461 WeakPolarHBondContact OG1-CD1 3.39Å
393V86.5Confident83Confident1 Ų140 Ų401%0.00618%0.184CC..G310 helixtrans-76.2-15.6-174.3-59.60000113.5D390 L391 L461 H462 V465 H495D390-V393 WeakPolarHBondContact O-CG2 3.35Å; D390-V393 PolarHBondContact O-N 2.77Å; L391-V393 PolarHBondContact O-N 3.06Å; V393-L461 HydrophobicContact CG1-CB 3.55Å; V393-H462 PolarHBondContact O-CE1 2.65Å; V393-H462 VanDerWaalsContact O-CE1 3.25Å; V393-V465 HydrophobicContact CB-CG2 4.19Å; V393-V465 HydrophobicContact CG1-CG2 4.09Å; V393-V465 HydrophobicContact CG2-CG2 3.79Å; V393-H495 PolarHBondContact O-CE1 3.49Å
394F86.1Confident83.1Confident3 Ų333.6 Ų33.61%0.01315%0.154CC..SBendtrans-83148.1-177.1-61.4-71000111.3L391 T392 I400 I404 L405 L408 L447 Y487L391-F394 HydrophobicContact CB-CD2 4.42Å; L391-F394 HydrophobicContact CD2-CD2 4.21Å; L391-F394 HydrophobicContact CD2-CE2 3.8Å; L391-F394 WeakPolarHBondContact O-CD2 3.28Å; T392-F394 VanDerWaalsContact C-N 3.28Å; T392-F394 PolarHBondContact O-N 3.44Å; F394-I400 HydrophobicContact CB-CD1 3.74Å; F394-I400 HydrophobicContact CD1-CD1 3.53Å; F394-I400 HydrophobicContact CD1-CG1 3.85Å; F394-I400 HydrophobicContact CD2-CD1 3.47Å; F394-I400 VanDerWaalsContact CD2-CD1 3.47Å; F394-I400 HydrophobicContact CE1-CD1 3.98Å; F394-I400 HydrophobicContact CE1-CG1 4.17Å; F394-I400 HydrophobicContact CE1-CG2 4.02Å; F394-I400 HydrophobicContact CE2-CD1 3.93Å; F394-I400 HydrophobicContact CG-CD1 3.27Å; F394-I400 HydrophobicContact CG-CG1 4.1Å; F394-I400 HydrophobicContact CZ-CD1 4.17Å; F394-I400 HydrophobicContact CZ-CG2 4.16Å; F394-I404 HydrophobicContact CE1-CG2 4.33Å; F394-L405 HydrophobicContact CE2-CD2 3.69Å; F394-L405 HydrophobicContact CZ-CD2 3.7Å; F394-L408 HydrophobicContact CE2-CD2 4.44Å; F394-L408 HydrophobicContact CZ-CD2 4.29Å; F394-L447 WeakPolarHBondContact O-CD1 3.49Å; F394-L447 WeakPolarHBondContact O-CD2 3.22Å; F394-Y487 AromaticContact CD1-CE2 3.95Å; F394-Y487 HydrophobicContact CD1-CE2 3.95Å; F394-Y487 AromaticContact CD1-CZ 3.78Å; F394-Y487 WeakPolarHBondContact CD1-OH 3.25Å; F394-Y487 HydrophobicContact CE1-CE1 4.47Å; F394-Y487 HydrophobicContact CE1-CE2 4.06Å; F394-Y487 AromaticContact CE1-CZ 3.66Å; F394-Y487 WeakPolarHBondContact CE1-OH 3.5Å
395Q78.4Confident83.3Confident53 Ų5332.1 Ų32.125%0.24815%0.148CC..PPolyproline II helixtrans-79.2158.4175.3-66.5-176.10.100111.4V398 Y494Q395-V398 HydrophobicContact CB-CG2 3.93Å; Q395-Y494 HydrophobicContact CG-CD1 4.38Å; Q395-Y494 HydrophobicContact CG-CE1 3.79Å; Q395-Y494 HydrophobicContact CG-CE2 4.24Å
396K77.9Confident83.5Confident68 Ų6829.5 Ų29.530%0.29614%0.14SC..THydrogen-bonded Turntrans-60.2150.7173-58.8-177.7-175.3-178.60111V398 D444 L447 D448K396-V398 PolarHBondContact O-N 2.75Å; K396-D444 HydrophobicContact CD-CB 4.26Å; K396-L447 HydrophobicContact CG-CB 4.41Å; K396-L447 HydrophobicContact CG-CD2 3.93Å; K396-D448 VanDerWaalsContact CE-OD1 3.29Å; K396-D448 WeakPolarHBondContact CE-OD1 3.08Å; K396-D448 IonicContact NZ-OD1 3.84Å; K396-D448 PolarHBondContact NZ-OD1 3.46Å; K396-D448 IonicContact NZ-OD2 3.51Å; K396-D448 PolarHBondContact NZ-OD2 3.03Å
397D70.1Confident83.5Confident37 Ų3723.6 Ų23.620%0.19811%0.112CC..THydrogen-bonded Turntrans58.917.5177.8-57.8-57000116.3G191 Q192 K201G191-D397 VanDerWaalsContact CA-OD2 3.26Å; G191-D397 WeakPolarHBondContact CA-OD2 3.37Å; Q192-D397 PolarHBondContact N-OD2 3.47Å; K201-D397 PolarHBondContact NZ-O 3.38Å
398V76.3Confident83.5Confident16 Ų1621.3 Ų21.310%0.09710%0.104CC..  trans-99.7124.3174.8-178.40000110.4Q395 K396 I400 Y487 F491Q395-V398 HydrophobicContact CB-CG2 3.93Å; K396-V398 PolarHBondContact O-N 2.75Å; V398-I400 HydrophobicContact CG1-CG1 4.49Å; V398-Y487 HydrophobicContact CG1-CD2 4.49Å; V398-Y487 HydrophobicContact CG1-CE2 4.31Å; V398-F491 HydrophobicContact CG1-CE2 3.86Å; V398-F491 HydrophobicContact CG1-CZ 4.06Å; V398-F491 HydrophobicContact CG2-CE1 4.32Å; V398-F491 HydrophobicContact CG2-CE2 4.3Å; V398-F491 HydrophobicContact CG2-CZ 3.65Å
399K78.4Confident83.6Confident57 Ų5722.3 Ų22.325%0.24811%0.108CC..  trans-87127.3171.4-65.7-174.7179.2-176.80109.4D432 L439K399-D432 IonicContact NZ-OD2 3.7Å; K399-D432 PolarHBondContact NZ-OD2 2.88Å; K399-L439 HydrophobicContact CB-CB 4.27Å; K399-L439 HydrophobicContact CB-CD1 4.4Å; K399-L439 HydrophobicContact CD-CD1 4.41Å
400I83.3Confident83.6Confident4 Ų423 Ų232%0.02112%0.115CC..EExtended strand (participates in β ladder)trans-110.1122.6-169.9-55.4155.2000109.3F394 V398 I404 L405 Y440F394-I400 HydrophobicContact CB-CD1 3.74Å; F394-I400 HydrophobicContact CD1-CD1 3.53Å; F394-I400 HydrophobicContact CD1-CG1 3.85Å; F394-I400 HydrophobicContact CD2-CD1 3.47Å; F394-I400 VanDerWaalsContact CD2-CD1 3.47Å; F394-I400 HydrophobicContact CE1-CD1 3.98Å; F394-I400 HydrophobicContact CE1-CG1 4.17Å; F394-I400 HydrophobicContact CE1-CG2 4.02Å; F394-I400 HydrophobicContact CE2-CD1 3.93Å; F394-I400 HydrophobicContact CG-CD1 3.27Å; F394-I400 HydrophobicContact CG-CG1 4.1Å; F394-I400 HydrophobicContact CZ-CD1 4.17Å; F394-I400 HydrophobicContact CZ-CG2 4.16Å; V398-I400 HydrophobicContact CG1-CG1 4.49Å; I400-I404 HydrophobicContact CG2-CB 4.14Å; I400-I404 HydrophobicContact CG2-CD1 4.4Å; I400-L405 HydrophobicContact CG2-CD1 4.34Å; I400-L405 HydrophobicContact CG2-CG 4.21Å; I400-Y440 PolarHBondContact N-O 2.79Å; I400-Y440 PolarHBondContact O-N 3.33Å
401P82.9Confident83.7Confident20 Ų2024.5 Ų24.513%0.1312%0.122CC..EExtended strand (participates in β ladder)trans-66142168.7-18.729000112.7K403 I404 L439P401-K403 PolarHBondContact O-N 3.48Å; P401-K403 VanDerWaalsContact O-N 3.13Å; P401-I404 HydrophobicContact CB-CG1 4.28Å; P401-I404 HydrophobicContact CG-CD1 4.11Å; P401-I404 HydrophobicContact CG-CG1 4.36Å; P401-I404 PolarHBondContact O-N 3.3Å; P401-L439 HydrophobicContact CB-CD2 4.19Å; P401-L439 HydrophobicContact CG-CD2 3.83Å
402A82.4Confident83.5Confident10 Ų1030.8 Ų30.88%0.08315%0.152CC..Hα-helixtrans-50.8-38.4175.100000112.9I404 L405 C406 E417 Y440A402-I404 PolarHBondContact O-N 2.75Å; A402-I404 VanDerWaalsContact O-N 3.08Å; A402-L405 WeakPolarHBondContact O-CA 3.44Å; A402-L405 WeakPolarHBondContact O-CB 3.46Å; A402-L405 PolarHBondContact O-N 3.1Å; A402-C406 PolarHBondContact O-N 3.41Å; A402-C406 PolarHBondContact O-SG 3.23Å; A402-E417 HydrophobicContact CB-CG 4.35Å; A402-Y440 HydrophobicContact CB-CE2 3.99Å
403K81.9Confident83.3Confident71 Ų7133.5 Ų33.531%0.30917%0.169SC..Hα-helixtrans-55.8-29-179.8-164.7171.2-171.3178.60113.8P401 C406 V407 D482 E483P401-K403 PolarHBondContact O-N 3.48Å; P401-K403 VanDerWaalsContact O-N 3.13Å; K403-C406 WeakPolarHBondContact O-CB 3.25Å; K403-C406 PolarHBondContact O-N 2.96Å; K403-V407 WeakPolarHBondContact O-CG2 3.48Å; K403-V407 PolarHBondContact O-N 3.42Å; K403-D482 IonicContact NZ-OD1 3.91Å; K403-D482 PolarHBondContact NZ-OD1 3.02Å; K403-E483 HydrophobicContact CD-CB 4.21Å
404I85.9Confident83.2Confident4 Ų440.7 Ų40.72%0.02120%0.203CC..Hα-helixtrans-73.7-38.9178.7-52.7-168.3000110.6F394 I400 P401 A402 C406 V407 L408 Y487 W488F394-I404 HydrophobicContact CE1-CG2 4.33Å; I400-I404 HydrophobicContact CG2-CB 4.14Å; I400-I404 HydrophobicContact CG2-CD1 4.4Å; P401-I404 HydrophobicContact CB-CG1 4.28Å; P401-I404 HydrophobicContact CG-CD1 4.11Å; P401-I404 HydrophobicContact CG-CG1 4.36Å; P401-I404 PolarHBondContact O-N 3.3Å; A402-I404 PolarHBondContact O-N 2.75Å; A402-I404 VanDerWaalsContact O-N 3.08Å; I404-C406 VanDerWaalsContact C-N 3.29Å; I404-V407 PolarHBondContact O-N 3.4Å; I404-L408 PolarHBondContact O-N 3.4Å; I404-Y487 HydrophobicContact CD1-CD1 3.46Å; I404-Y487 VanDerWaalsContact CD1-CD1 3.46Å; I404-Y487 HydrophobicContact CD1-CD2 3.59Å; I404-Y487 HydrophobicContact CD1-CE1 4.23Å; I404-Y487 HydrophobicContact CD1-CE2 4.33Å; I404-Y487 HydrophobicContact CD1-CG 3.11Å; I404-Y487 HydrophobicContact CG1-CG 4.5Å; I404-Y487 HydrophobicContact CG2-CD1 4.09Å; I404-Y487 HydrophobicContact CG2-CE1 4.02Å; I404-W488 HydrophobicContact CG2-CH2 4.43Å; I404-W488 HydrophobicContact CG2-CZ2 4.03Å
405L86.6Confident83.2Confident1 Ų145.5 Ų45.51%0.00523%0.225CC..Hα-helixtrans-71.4-29.1175.8-62.6167.6000111L391 F394 I400 A402 L408 W409 V416 L420L391-L405 HydrophobicContact CD2-CD1 4.48Å; L391-L405 HydrophobicContact CD2-CD2 3.61Å; F394-L405 HydrophobicContact CE2-CD2 3.69Å; F394-L405 HydrophobicContact CZ-CD2 3.7Å; I400-L405 HydrophobicContact CG2-CD1 4.34Å; I400-L405 HydrophobicContact CG2-CG 4.21Å; A402-L405 WeakPolarHBondContact O-CA 3.44Å; A402-L405 WeakPolarHBondContact O-CB 3.46Å; A402-L405 PolarHBondContact O-N 3.1Å; L405-L408 HydrophobicContact CD2-CD2 4.24Å; L405-L408 PolarHBondContact O-N 3.16Å; L405-W409 HydrophobicContact CB-CE3 4.23Å; L405-W409 HydrophobicContact CB-CZ3 4.17Å; L405-W409 HydrophobicContact CD2-CH2 4.35Å; L405-W409 HydrophobicContact CD2-CZ2 4.25Å; L405-W409 WeakPolarHBondContact O-CB 3.17Å; L405-W409 PolarHBondContact O-N 2.79Å; L405-V416 HydrophobicContact CB-CG1 3.78Å; L405-L420 HydrophobicContact CD1-CD1 3.63Å; L405-L420 HydrophobicContact CD1-CD2 3.69Å; L405-L420 HydrophobicContact CD1-CG 4.28Å
406C86.4Confident83.5Confident14 Ų1443 Ų4310%0.09521%0.214CC..Hα-helixtrans-59.3-46.4168.6-54.30000111.5A402 K403 I404 D410 L411 P413 V416A402-C406 PolarHBondContact O-N 3.41Å; A402-C406 PolarHBondContact O-SG 3.23Å; K403-C406 WeakPolarHBondContact O-CB 3.25Å; K403-C406 PolarHBondContact O-N 2.96Å; I404-C406 VanDerWaalsContact C-N 3.29Å; C406-D410 VanDerWaalsContact O-CA 3.32Å; C406-D410 WeakPolarHBondContact O-CA 3.25Å; C406-D410 PolarHBondContact O-N 2.86Å; C406-L411 WeakPolarHBondContact CB-O 3.31Å; C406-L411 PolarHBondContact O-N 2.81Å; C406-P413 VanDerWaalsContact SG-CA 3.52Å; C406-V416 HydrophobicContact CB-CG2 4.35Å
407V85.3Confident83.8Confident8 Ų843 Ų435%0.04822%0.215CC..Hα-helixtrans-65.9-38.3175.3175.30000111.2K403 I404 Q468 H472 Y473 W488K403-V407 WeakPolarHBondContact O-CG2 3.48Å; K403-V407 PolarHBondContact O-N 3.42Å; I404-V407 PolarHBondContact O-N 3.4Å; V407-Q468 HydrophobicContact CG1-CB 4.47Å; V407-Q468 WeakPolarHBondContact O-CB 3.34Å; V407-H472 HydrophobicContact CG1-CB 4.25Å; V407-Y473 HydrophobicContact CG1-CE2 4.25Å; V407-Y473 HydrophobicContact CG2-CE2 4.07Å; V407-W488 HydrophobicContact CB-CZ2 4.25Å; V407-W488 HydrophobicContact CG1-CH2 4.48Å; V407-W488 HydrophobicContact CG1-CZ2 3.92Å
408L87.3Confident84.5Confident6 Ų647.1 Ų47.13%0.03124%0.236CC..Hα-helixtrans-69.5-35.6-177.9-17556.7000113.3D390 F394 I404 L405 V465D390-L408 HydrophobicContact CB-CD2 4.02Å; F394-L408 HydrophobicContact CE2-CD2 4.44Å; F394-L408 HydrophobicContact CZ-CD2 4.29Å; I404-L408 PolarHBondContact O-N 3.4Å; L405-L408 HydrophobicContact CD2-CD2 4.24Å; L405-L408 PolarHBondContact O-N 3.16Å; L408-V465 HydrophobicContact CD1-CB 4.17Å; L408-V465 HydrophobicContact CD1-CG2 3.54Å
409W89.8Confident84.9Confident23 Ų2346.8 Ų46.89%0.08723%0.234CC..Hα-helixtrans-102.7-5.9-175.9-63.1-28.7000114.2R387 D390 L391 L405 L411 V416 I419 L420 F423R387-W409 HydrophobicContact CB-CD2 4.48Å; R387-W409 HydrophobicContact CB-CH2 4.32Å; R387-W409 HydrophobicContact CB-CZ2 3.71Å; R387-W409 HydrophobicContact CG-CD2 4.24Å; R387-W409 HydrophobicContact CG-CG 4.42Å; R387-W409 HydrophobicContact CG-CZ2 4.36Å; R387-W409 WeakPolarHBondContact O-CZ2 3.27Å; D390-W409 PolarHBondContact OD2-NE1 3.3Å; L391-W409 HydrophobicContact CD2-CH2 4.46Å; L391-W409 HydrophobicContact CD2-CZ2 4.17Å; L405-W409 HydrophobicContact CB-CE3 4.23Å; L405-W409 HydrophobicContact CB-CZ3 4.17Å; L405-W409 HydrophobicContact CD2-CH2 4.35Å; L405-W409 HydrophobicContact CD2-CZ2 4.25Å; L405-W409 WeakPolarHBondContact O-CB 3.17Å; L405-W409 PolarHBondContact O-N 2.79Å; W409-L411 VanDerWaalsContact C-N 3.34Å; W409-L411 HydrophobicContact CB-CD1 3.89Å; W409-L411 HydrophobicContact CB-CG 3.94Å; W409-V416 HydrophobicContact CE3-CG1 4.12Å; W409-V416 HydrophobicContact CE3-CG2 4.12Å; W409-V416 HydrophobicContact CZ3-CG1 3.95Å; W409-I419 HydrophobicContact CH2-CG2 4.47Å; W409-I419 HydrophobicContact CZ3-CG2 4.27Å; W409-L420 HydrophobicContact CH2-CD2 3.84Å; W409-L420 HydrophobicContact CZ3-CD2 4.11Å; W409-L420 HydrophobicContact CZ3-CG 4.35Å; W409-F423 HydrophobicContact CH2-CE2 4.29Å
410D87.1Confident85.2Confident73 Ų7344.1 Ų44.139%0.3922%0.222SC..THydrogen-bonded Turntrans53.346.7-172-69.4-35.5000113.1C406 Q468 H472C406-D410 VanDerWaalsContact O-CA 3.32Å; C406-D410 WeakPolarHBondContact O-CA 3.25Å; C406-D410 PolarHBondContact O-N 2.86Å; D410-Q468 PolarHBondContact OD1-OE1 3.48Å; D410-Q468 VanDerWaalsContact OD2-CD 3.26Å; D410-Q468 PolarHBondContact OD2-NE2 3.28Å; D410-Q468 PolarHBondContact OD2-OE1 3.5Å; D410-Q468 VanDerWaalsContact OD2-OE1 3.07Å; D410-H472 IonicContact OD1-CD2 2.82Å; D410-H472 PolarHBondContact OD1-CD2 3.06Å; D410-H472 IonicContact OD1-CE1 3.03Å; D410-H472 IonicContact OD1-NE2 3.76Å; D410-H472 PolarHBondContact OD1-NE2 2.98Å
411L89.1Confident85.1Confident40 Ų4047.9 Ų47.921%0.20924%0.24CC..  trans-123.1156.2-179.1-58.8176.3000111.6C406 W409 E415 V416 I419C406-L411 WeakPolarHBondContact CB-O 3.31Å; C406-L411 PolarHBondContact O-N 2.81Å; W409-L411 VanDerWaalsContact C-N 3.34Å; W409-L411 HydrophobicContact CB-CD1 3.89Å; W409-L411 HydrophobicContact CB-CG 3.94Å; L411-E415 HydrophobicContact CB-CB 4.44Å; L411-E415 WeakPolarHBondContact CD2-OE2 3.38Å; L411-V416 HydrophobicContact CB-CG2 3.7Å; L411-V416 HydrophobicContact CD1-CG2 4.38Å; L411-I419 HydrophobicContact CD1-CD1 3.73Å
412E85.2Confident85Confident134 Ų13449.3 Ų49.363%0.62625%0.245SC*.  trans-66.7149.5171-71.2-69.7168.800110.6E414 E415 V416E412-E414 PolarHBondContact O-N 3.01Å; E412-E415 PolarHBondContact O-N 3.44Å; E412-E415 VanDerWaalsContact O-N 3.13Å; E412-V416 WeakPolarHBondContact O-CG2 3.23Å; E412-V416 PolarHBondContact O-N 3.45Å; E412-V416 VanDerWaalsContact O-N 3.16Å
413P82.3Confident84.9Confident60 Ų6048.9 Ų48.939%0.3924%0.241SC..Hα-helixtrans-59.6-33.3-173.923.2-32.2000113.3C406 V416 E417C406-P413 VanDerWaalsContact SG-CA 3.52Å; P413-V416 PolarHBondContact O-N 3Å; P413-E417 WeakPolarHBondContact O-CB 3.37Å; P413-E417 VanDerWaalsContact O-CG 3.31Å; P413-E417 WeakPolarHBondContact O-CG 3.41Å; P413-E417 PolarHBondContact O-N 3.19Å
414E84.1Confident84.8Confident153 Ų15346.3 Ų46.372%0.71523%0.232SC*.Hα-helixtrans-63.5-44.6178.4-62.6170.5177.100111.4E412 V416 E417 D418E412-E414 PolarHBondContact O-N 3.01Å; E414-V416 PolarHBondContact O-N 3.35Å; E414-E417 PolarHBondContact O-N 3.33Å; E414-D418 PolarHBondContact O-N 2.87Å
415E85.9Confident84.3Confident104 Ų10449.6 Ų49.649%0.48625%0.249SC..Hα-helixtrans-67.1-38.8178-61.7-176.716700111.6L411 E412 D418 I419L411-E415 HydrophobicContact CB-CB 4.44Å; L411-E415 WeakPolarHBondContact CD2-OE2 3.38Å; E412-E415 PolarHBondContact O-N 3.44Å; E412-E415 VanDerWaalsContact O-N 3.13Å; E415-D418 PolarHBondContact O-N 3.5Å; E415-I419 VanDerWaalsContact O-CD1 3.25Å; E415-I419 WeakPolarHBondContact O-CD1 3.41Å; E415-I419 VanDerWaalsContact O-CG1 3.25Å; E415-I419 WeakPolarHBondContact O-CG1 3.31Å; E415-I419 PolarHBondContact O-N 3Å; E415-I419 VanDerWaalsContact O-N 3.14Å
416V86.3Confident83.5Confident0 Ų050.7 Ų50.70%025%0.254CS..Hα-helixtrans-63.2-46.9175.5174.20000110.8L405 C406 W409 L411 E412 P413 E414 D418 I419 L420L405-V416 HydrophobicContact CB-CG1 3.78Å; C406-V416 HydrophobicContact CB-CG2 4.35Å; W409-V416 HydrophobicContact CE3-CG1 4.12Å; W409-V416 HydrophobicContact CE3-CG2 4.12Å; W409-V416 HydrophobicContact CZ3-CG1 3.95Å; L411-V416 HydrophobicContact CB-CG2 3.7Å; L411-V416 HydrophobicContact CD1-CG2 4.38Å; E412-V416 WeakPolarHBondContact O-CG2 3.23Å; E412-V416 PolarHBondContact O-N 3.45Å; E412-V416 VanDerWaalsContact O-N 3.16Å; P413-V416 PolarHBondContact O-N 3Å; E414-V416 PolarHBondContact O-N 3.35Å; V416-D418 VanDerWaalsContact C-N 3.3Å; V416-D418 PolarHBondContact O-N 3.5Å; V416-I419 PolarHBondContact O-N 2.87Å; V416-L420 HydrophobicContact CG1-CD1 3.59Å; V416-L420 HydrophobicContact CG1-CG 4.18Å; V416-L420 WeakPolarHBondContact O-CB 3.18Å; V416-L420 WeakPolarHBondContact O-CG 3.39Å; V416-L420 PolarHBondContact O-N 2.88Å
417E84.2Confident82.9Confident68 Ų6850.5 Ų50.532%0.31825%0.253SS..Hα-helixtrans-61.1-38.7178.2-73.8-170.6159.400112A402 P413 E414 L420 Q421 N438A402-E417 HydrophobicContact CB-CG 4.35Å; P413-E417 WeakPolarHBondContact O-CB 3.37Å; P413-E417 VanDerWaalsContact O-CG 3.31Å; P413-E417 WeakPolarHBondContact O-CG 3.41Å; P413-E417 PolarHBondContact O-N 3.19Å; E414-E417 PolarHBondContact O-N 3.33Å; E417-L420 PolarHBondContact O-N 2.75Å; E417-Q421 VanDerWaalsContact O-CB 3.25Å; E417-Q421 WeakPolarHBondContact O-CB 3.32Å; E417-Q421 PolarHBondContact O-N 2.9Å; E417-N438 PolarHBondContact OE1-ND2 2.95Å
418D84.6Confident82.6Confident123 Ų12350.1 Ų50.166%0.65825%0.251SS*.Hα-helixtrans-61.6-45.9175.1-80.4-17.8000112.3E414 E415 V416 Q421 E422E414-D418 PolarHBondContact O-N 2.87Å; E415-D418 PolarHBondContact O-N 3.5Å; V416-D418 VanDerWaalsContact C-N 3.3Å; V416-D418 PolarHBondContact O-N 3.5Å; D418-Q421 PolarHBondContact O-N 2.98Å; D418-E422 PolarHBondContact O-N 2.93Å; D418-E422 VanDerWaalsContact O-N 3.12Å
419I84.9Confident82.3Confident10 Ų1050 Ų505%0.05125%0.25CC..Hα-helixtrans-62.8-46.3177-62.9154.2000110.3W409 L411 E415 V416 Q421 E422 F423W409-I419 HydrophobicContact CH2-CG2 4.47Å; W409-I419 HydrophobicContact CZ3-CG2 4.27Å; L411-I419 HydrophobicContact CD1-CD1 3.73Å; E415-I419 VanDerWaalsContact O-CD1 3.25Å; E415-I419 WeakPolarHBondContact O-CD1 3.41Å; E415-I419 VanDerWaalsContact O-CG1 3.25Å; E415-I419 WeakPolarHBondContact O-CG1 3.31Å; E415-I419 PolarHBondContact O-N 3Å; E415-I419 VanDerWaalsContact O-N 3.14Å; V416-I419 PolarHBondContact O-N 2.87Å; I419-Q421 VanDerWaalsContact C-N 3.3Å; I419-Q421 PolarHBondContact O-N 2.83Å; I419-E422 WeakPolarHBondContact O-CB 3.43Å; I419-E422 PolarHBondContact O-N 2.89Å; I419-E422 VanDerWaalsContact O-N 3.16Å; I419-F423 HydrophobicContact CG2-CD2 4.44Å; I419-F423 HydrophobicContact CG2-CE2 3.74Å; I419-F423 HydrophobicContact CG2-CZ 3.81Å; I419-F423 PolarHBondContact O-N 2.89Å
420L84.1Confident81.8Confident0 Ų051.4 Ų51.40%026%0.257CS..Hα-helixtrans-66.2-36.1-179.2-63.5169.8000111.3L405 W409 V416 E417 E422 F423 V424 L429 Y440L405-L420 HydrophobicContact CD1-CD1 3.63Å; L405-L420 HydrophobicContact CD1-CD2 3.69Å; L405-L420 HydrophobicContact CD1-CG 4.28Å; W409-L420 HydrophobicContact CH2-CD2 3.84Å; W409-L420 HydrophobicContact CZ3-CD2 4.11Å; W409-L420 HydrophobicContact CZ3-CG 4.35Å; V416-L420 HydrophobicContact CG1-CD1 3.59Å; V416-L420 HydrophobicContact CG1-CG 4.18Å; V416-L420 WeakPolarHBondContact O-CB 3.18Å; V416-L420 WeakPolarHBondContact O-CG 3.39Å; V416-L420 PolarHBondContact O-N 2.88Å; E417-L420 PolarHBondContact O-N 2.75Å; L420-E422 VanDerWaalsContact C-N 3.28Å; L420-E422 PolarHBondContact O-N 2.81Å; L420-F423 HydrophobicContact CD2-CD2 4.17Å; L420-F423 WeakPolarHBondContact O-CB 3.29Å; L420-F423 PolarHBondContact O-N 3.5Å; L420-F423 VanDerWaalsContact O-N 3.14Å; L420-V424 VanDerWaalsContact O-CG2 3.25Å; L420-V424 WeakPolarHBondContact O-CG2 3.41Å; L420-V424 PolarHBondContact O-N 2.88Å; L420-L429 HydrophobicContact CB-CD2 4.05Å; L420-L429 HydrophobicContact CD2-CD2 3.46Å; L420-L429 VanDerWaalsContact CD2-CD2 3.46Å; L420-L429 HydrophobicContact CG-CD2 4.32Å; L420-Y440 HydrophobicContact CB-CD1 3.76Å; L420-Y440 HydrophobicContact CB-CE1 3.26Å; L420-Y440 HydrophobicContact CD1-CD1 3.89Å; L420-Y440 HydrophobicContact CD1-CD2 3.73Å; L420-Y440 HydrophobicContact CD1-CE1 3.67Å; L420-Y440 HydrophobicContact CD1-CE2 3.54Å; L420-Y440 HydrophobicContact CD1-CG 3.92Å; L420-Y440 HydrophobicContact CD2-CD1 4.39Å; L420-Y440 HydrophobicContact CG-CD1 4.22Å; L420-Y440 HydrophobicContact CG-CE1 4.02Å
421Q80.6Confident81.3Confident84 Ų8449.5 Ų49.539%0.39325%0.248SC..Hα-helixtrans-64-33.7174.7-17059.344.500111.6E417 D418 I419 V424 N425E417-Q421 VanDerWaalsContact O-CB 3.25Å; E417-Q421 WeakPolarHBondContact O-CB 3.32Å; E417-Q421 PolarHBondContact O-N 2.9Å; D418-Q421 PolarHBondContact O-N 2.98Å; I419-Q421 VanDerWaalsContact C-N 3.3Å; I419-Q421 PolarHBondContact O-N 2.83Å; Q421-V424 PolarHBondContact O-N 2.9Å; Q421-N425 PolarHBondContact NE2-OD1 3.36Å; Q421-N425 WeakPolarHBondContact O-CB 3.49Å; Q421-N425 PolarHBondContact O-N 3.17Å; Q421-N425 PolarHBondContact O-ND2 3.37Å
422E80.3Confident80.3Confident50 Ų5047.8 Ų47.823%0.23424%0.239CC..Hα-helixtrans-63.1-43.7171.1-162.8-167.9150.900111.7H384 D418 I419 L420 V424 N425 K426H384-E422 IonicContact CE1-OE2 3.49Å; H384-E422 PolarHBondContact CE1-OE2 2.75Å; H384-E422 IonicContact ND1-OE2 3.51Å; H384-E422 PolarHBondContact ND1-OE2 2.83Å; D418-E422 PolarHBondContact O-N 2.93Å; D418-E422 VanDerWaalsContact O-N 3.12Å; I419-E422 WeakPolarHBondContact O-CB 3.43Å; I419-E422 PolarHBondContact O-N 2.89Å; I419-E422 VanDerWaalsContact O-N 3.16Å; L420-E422 VanDerWaalsContact C-N 3.28Å; L420-E422 PolarHBondContact O-N 2.81Å; E422-V424 VanDerWaalsContact C-N 3.32Å; E422-V424 PolarHBondContact O-N 3.05Å; E422-N425 PolarHBondContact O-N 2.98Å; E422-K426 PolarHBondContact O-N 3.03Å; E422-K426 VanDerWaalsContact O-N 3.11Å; E422-K426 IonicContact OE1-NZ 3.84Å; E422-K426 PolarHBondContact OE1-NZ 2.84Å
423F81.8Confident79.3Confident0 Ų044.8 Ų44.80%023%0.227CC..Hα-helixtrans-63.2-38.1175.6-60.6-31.4000112.3L380 H384 Y388 L391 W409 I419 L420 K426 S427 L428 L429L380-F423 HydrophobicContact CD1-CD1 4.38Å; L380-F423 HydrophobicContact CD1-CE1 3.99Å; L380-F423 HydrophobicContact CD2-CD1 4.06Å; L380-F423 HydrophobicContact CD2-CE1 3.89Å; H384-F423 HydrophobicContact CB-CE1 4.09Å; H384-F423 HydrophobicContact CB-CZ 4.3Å; H384-F423 WeakPolarHBondContact O-CZ 3.4Å; Y388-F423 HydrophobicContact CD2-CD1 4.05Å; Y388-F423 HydrophobicContact CD2-CD2 4.04Å; Y388-F423 HydrophobicContact CD2-CE1 4.05Å; Y388-F423 HydrophobicContact CD2-CE2 4.05Å; Y388-F423 HydrophobicContact CD2-CG 4.05Å; Y388-F423 HydrophobicContact CD2-CZ 4.06Å; Y388-F423 HydrophobicContact CG-CE1 4.46Å; Y388-F423 HydrophobicContact CG-CZ 4.45Å; L391-F423 HydrophobicContact CD1-CD2 4.41Å; L391-F423 HydrophobicContact CD1-CE2 4.44Å; W409-F423 HydrophobicContact CH2-CE2 4.29Å; I419-F423 HydrophobicContact CG2-CD2 4.44Å; I419-F423 HydrophobicContact CG2-CE2 3.74Å; I419-F423 HydrophobicContact CG2-CZ 3.81Å; I419-F423 PolarHBondContact O-N 2.89Å; L420-F423 HydrophobicContact CD2-CD2 4.17Å; L420-F423 WeakPolarHBondContact O-CB 3.29Å; L420-F423 PolarHBondContact O-N 3.5Å; L420-F423 VanDerWaalsContact O-N 3.14Å; F423-K426 CarbonylContact O-C 3.5Å; F423-K426 PolarHBondContact O-N 3.24Å; F423-S427 PolarHBondContact O-N 3.42Å; F423-L428 HydrophobicContact CB-CB 4.44Å; F423-L428 PolarHBondContact O-N 3Å; F423-L429 HydrophobicContact CB-CB 3.69Å; F423-L429 HydrophobicContact CB-CD2 4.21Å; F423-L429 HydrophobicContact CD2-CD2 4.33Å; F423-L429 PolarHBondContact O-N 3.48Å
424V79Confident77.9Confident18 Ų1843.3 Ų43.311%0.10922%0.216CC..Hα-helixtrans-64.5-44175.2174.20000111.4L420 Q421 E422 K426 S427 L429 V431L420-V424 VanDerWaalsContact O-CG2 3.25Å; L420-V424 WeakPolarHBondContact O-CG2 3.41Å; L420-V424 PolarHBondContact O-N 2.88Å; Q421-V424 PolarHBondContact O-N 2.9Å; E422-V424 VanDerWaalsContact C-N 3.32Å; E422-V424 PolarHBondContact O-N 3.05Å; V424-K426 PolarHBondContact O-N 3.12Å; V424-S427 PolarHBondContact O-N 3.26Å; V424-L429 WeakPolarHBondContact CA-O 3.39Å; V424-L429 HydrophobicContact CG2-CB 4.22Å; V424-L429 HydrophobicContact CG2-CG 4.45Å; V424-V431 HydrophobicContact CG2-CB 4.32Å; V424-V431 HydrophobicContact CG2-CG2 3.41Å; V424-V431 VanDerWaalsContact CG2-CG2 3.41Å
425N74.9Confident76.3Confident73 Ų7340.3 Ų40.339%0.3921%0.212SC..Hα-helixtrans-59.9-32.3176.6-70.7-23.7000112.1Q421 E422 S427Q421-N425 PolarHBondContact NE2-OD1 3.36Å; Q421-N425 WeakPolarHBondContact O-CB 3.49Å; Q421-N425 PolarHBondContact O-N 3.17Å; Q421-N425 PolarHBondContact O-ND2 3.37Å; E422-N425 PolarHBondContact O-N 2.98Å; N425-S427 VanDerWaalsContact C-N 3.3Å
426K70.8Confident74.6Confident23 Ų2347.5 Ų47.510%0.123%0.234CC..THydrogen-bonded Turntrans-85.63.1175.9-68.7178.3173.6171.90113.9D338 L380 E422 F423 V424 L428D338-K426 VanDerWaalsContact OD2-CE 3.31Å; D338-K426 WeakPolarHBondContact OD2-CE 3.48Å; L380-K426 HydrophobicContact CD2-CD 3.71Å; E422-K426 PolarHBondContact O-N 3.03Å; E422-K426 VanDerWaalsContact O-N 3.11Å; E422-K426 IonicContact OE1-NZ 3.84Å; E422-K426 PolarHBondContact OE1-NZ 2.84Å; F423-K426 CarbonylContact O-C 3.5Å; F423-K426 PolarHBondContact O-N 3.24Å; V424-K426 PolarHBondContact O-N 3.12Å; K426-L428 HydrophobicContact CB-CD1 4.18Å; K426-L428 HydrophobicContact CB-CG 4.16Å; K426-L428 PolarHBondContact O-N 3.11Å
427S73.4Confident73.4Confident11 Ų1150.4 Ų50.48%0.07725%0.25CC..THydrogen-bonded Turntrans58.423.1-177.2-49.10000113.6Y303 F423 V424 N425 Q446Y303-S427 PolarHBondContact OH-OG 2.94Å; F423-S427 PolarHBondContact O-N 3.42Å; V424-S427 PolarHBondContact O-N 3.26Å; N425-S427 VanDerWaalsContact C-N 3.3Å; S427-Q446 PolarHBondContact O-NE2 3.19Å
428L78.4Confident72.7Confident0 Ų049.3 Ų49.30%025%0.246CC..SBendtrans-87.6-21.9175.4-71.8177.2000112.1L331 L380 Y388 F423 K426 L442 Q446L331-L428 HydrophobicContact CD2-CD2 4.05Å; L380-L428 HydrophobicContact CD1-CD1 3.9Å; Y388-L428 HydrophobicContact CE2-CB 3.7Å; Y388-L428 HydrophobicContact CE2-CD1 4.33Å; Y388-L428 HydrophobicContact CE2-CG 4.5Å; Y388-L428 PolarHBondContact OH-O 3.39Å; Y388-L428 VanDerWaalsContact OH-O 3.14Å; F423-L428 HydrophobicContact CB-CB 4.44Å; F423-L428 PolarHBondContact O-N 3Å; K426-L428 HydrophobicContact CB-CD1 4.18Å; K426-L428 HydrophobicContact CB-CG 4.16Å; K426-L428 PolarHBondContact O-N 3.11Å; L428-L442 WeakPolarHBondContact O-CD2 3.5Å; L428-Q446 PolarHBondContact O-NE2 2.94Å; L428-Q446 PolarHBondContact O-OE1 3.21Å
429L80.7Confident72.3Confident3 Ų345.6 Ų45.62%0.01623%0.226CC..SBendtrans-137.5150.4-179.8-17166.5000109.7L391 L420 F423 V424 Y440 Y441 L442L391-L429 HydrophobicContact CD1-CD1 4.46Å; L420-L429 HydrophobicContact CB-CD2 4.05Å; L420-L429 HydrophobicContact CD2-CD2 3.46Å; L420-L429 VanDerWaalsContact CD2-CD2 3.46Å; L420-L429 HydrophobicContact CG-CD2 4.32Å; F423-L429 HydrophobicContact CB-CB 3.69Å; F423-L429 HydrophobicContact CB-CD2 4.21Å; F423-L429 HydrophobicContact CD2-CD2 4.33Å; F423-L429 PolarHBondContact O-N 3.48Å; V424-L429 WeakPolarHBondContact CA-O 3.39Å; V424-L429 HydrophobicContact CG2-CB 4.22Å; V424-L429 HydrophobicContact CG2-CG 4.45Å; L429-Y440 HydrophobicContact CD2-CD1 3.54Å; L429-Y440 HydrophobicContact CD2-CE1 4.41Å; L429-Y440 HydrophobicContact CD2-CG 4.19Å; L429-Y440 HydrophobicContact CG-CD1 4.18Å; L429-Y441 WeakPolarHBondContact CD1-O 3.4Å; L429-L442 HydrophobicContact CD1-CD1 4.44Å; L429-L442 HydrophobicContact CD1-CD2 4.26Å; L429-L442 HydrophobicContact CD1-CG 3.84Å
430F79.7Confident72.2Confident53 Ų5345.4 Ų45.423%0.23223%0.225CC..EExtended strand (participates in β ladder)trans-115.4148.8176-60.1-79.9000110.7L327 Y440 Y441 H443L327-F430 HydrophobicContact CD1-CZ 4.1Å; F430-Y440 CarbonylContact O-C 3.6Å; F430-Y440 WeakPolarHBondContact O-CA 3.24Å; F430-Y441 HydrophobicContact CB-CD1 4.01Å; F430-Y441 HydrophobicContact CB-CD2 4.15Å; F430-Y441 HydrophobicContact CB-CE1 3.55Å; F430-Y441 HydrophobicContact CB-CE2 3.7Å; F430-Y441 HydrophobicContact CB-CG 4.29Å; F430-Y441 HydrophobicContact CD2-CE2 4.16Å; F430-Y441 HydrophobicContact CG-CE2 4.13Å; F430-Y441 PolarHBondContact N-O 3.42Å; F430-Y441 PolarHBondContact O-N 2.91Å; F430-H443 HydrophobicContact CE2-CB 3.9Å
431V77.9Confident72.2Confident32 Ų3248.7 Ų48.719%0.19424%0.238CC..EExtended strand (participates in β ladder)trans-123.2138.7-179.2168.30000110.4V424 N433 L439 Y440V424-V431 HydrophobicContact CG2-CB 4.32Å; V424-V431 HydrophobicContact CG2-CG2 3.41Å; V424-V431 VanDerWaalsContact CG2-CG2 3.41Å; V431-N433 WeakPolarHBondContact CG1-OD1 3.4Å; V431-L439 WeakPolarHBondContact CA-O 3.46Å; V431-Y440 HydrophobicContact CB-CE1 4.47Å; V431-Y440 HydrophobicContact CG2-CD1 3.18Å; V431-Y440 HydrophobicContact CG2-CE1 3.07Å; V431-Y440 HydrophobicContact CG2-CG 4.13Å
432D67.8Low72.2Confident4 Ų445.2 Ų45.22%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-117.5108.7174.4-169.218.5000110.5K399 N434 L439 Y441K399-D432 IonicContact NZ-OD2 3.7Å; K399-D432 PolarHBondContact NZ-OD2 2.88Å; D432-N434 VanDerWaalsContact C-N 3.28Å; D432-N434 PolarHBondContact O-N 3.4Å; D432-N434 PolarHBondContact OD1-ND2 3.11Å; D432-N434 PolarHBondContact OD2-ND2 3.5Å; D432-L439 HydrophobicContact CB-CB 4.4Å; D432-L439 PolarHBondContact N-O 3.19Å; D432-L439 PolarHBondContact O-N 3.36Å; D432-Y441 HydrophobicContact CB-CE1 4.4Å
433N63.5Low72Confident71 Ų7145.1 Ų45.138%0.3822%0.221SC..  trans-90.947.8-175.1-71.5-14000112.1V431 N438V431-N433 WeakPolarHBondContact CG1-OD1 3.4Å; N433-N438 PolarHBondContact OD1-OD1 3.43Å; N433-N438 VanDerWaalsContact OD1-OD1 3.13Å
434N54Low71.5Confident29 Ų2945.7 Ų45.716%0.15522%0.224CC..  trans-88.5-4.3-162.6-99.2-19.3000116.1S117 G120 D432S117-N434 PolarHBondContact O-OD1 3.19Å; G120-N434 VanDerWaalsContact C-OD1 3.29Å; G120-N434 WeakPolarHBondContact CA-ND2 3.47Å; G120-N434 WeakPolarHBondContact CA-OD1 3.42Å; G120-N434 PolarHBondContact O-ND2 2.94Å; D432-N434 VanDerWaalsContact C-N 3.28Å; D432-N434 PolarHBondContact O-N 3.4Å; D432-N434 PolarHBondContact OD1-ND2 3.11Å; D432-N434 PolarHBondContact OD2-ND2 3.5Å
435S48.8Very low71.3Confident91 Ų9145.3 Ų45.364%0.63622%0.222SC*.SBendtrans-173.4-165169.549.90000108.1L437S435-L437 PolarHBondContact O-N 2.87Å
436R50.9Low71.4Confident254 Ų25441.9 Ų41.996%0.95820%0.203SC*.SBendtrans-44.2-11.7-177.3-103.4-178177.2179.9-2.3117.3
437L60.1Low71.8Confident61 Ų6141 Ų4132%0.31920%0.199SC..SBendtrans-127.8135-173-59.4172.3000111.8S435 E483S435-L437 PolarHBondContact O-N 2.87Å; L437-E483 HydrophobicContact CD1-CB 4.07Å; L437-E483 HydrophobicContact CD1-CG 3.83Å; L437-E483 HydrophobicContact CD2-CG 4.42Å; L437-E483 WeakPolarHBondContact CD2-OE1 3.36Å; L437-E483 VanDerWaalsContact CD2-OE2 3.23Å; L437-E483 WeakPolarHBondContact CD2-OE2 3.39Å
438N69.4Low71.8Confident46 Ų4642.2 Ų42.225%0.24621%0.205CC..  trans-77.5119.2172.6-64.1-33.4000109.8E417 N433 Y440E417-N438 PolarHBondContact OE1-ND2 2.95Å; N433-N438 PolarHBondContact OD1-OD1 3.43Å; N433-N438 VanDerWaalsContact OD1-OD1 3.13Å; N438-Y440 HydrophobicContact CB-CE2 3.69Å
439L76.9Confident71.9Confident45 Ų4542.5 Ų42.524%0.23621%0.206CC..EExtended strand (participates in β ladder)trans-105.6128.9175.5-69.4174.8000110.1K399 P401 V431 D432K399-L439 HydrophobicContact CB-CB 4.27Å; K399-L439 HydrophobicContact CB-CD1 4.4Å; K399-L439 HydrophobicContact CD-CD1 4.41Å; P401-L439 HydrophobicContact CB-CD2 4.19Å; P401-L439 HydrophobicContact CG-CD2 3.83Å; V431-L439 WeakPolarHBondContact CA-O 3.46Å; D432-L439 HydrophobicContact CB-CB 4.4Å; D432-L439 PolarHBondContact N-O 3.19Å; D432-L439 PolarHBondContact O-N 3.36Å
440Y83.9Confident71.9Confident5 Ų542.4 Ų42.42%0.0221%0.206CC..EExtended strand (participates in β ladder)trans-108.2144.1-176.7-61.1-96000110.7I400 A402 L420 L429 F430 V431 N438I400-Y440 PolarHBondContact N-O 2.79Å; I400-Y440 PolarHBondContact O-N 3.33Å; A402-Y440 HydrophobicContact CB-CE2 3.99Å; L420-Y440 HydrophobicContact CB-CD1 3.76Å; L420-Y440 HydrophobicContact CB-CE1 3.26Å; L420-Y440 HydrophobicContact CD1-CD1 3.89Å; L420-Y440 HydrophobicContact CD1-CD2 3.73Å; L420-Y440 HydrophobicContact CD1-CE1 3.67Å; L420-Y440 HydrophobicContact CD1-CE2 3.54Å; L420-Y440 HydrophobicContact CD1-CG 3.92Å; L420-Y440 HydrophobicContact CD2-CD1 4.39Å; L420-Y440 HydrophobicContact CG-CD1 4.22Å; L420-Y440 HydrophobicContact CG-CE1 4.02Å; L429-Y440 HydrophobicContact CD2-CD1 3.54Å; L429-Y440 HydrophobicContact CD2-CE1 4.41Å; L429-Y440 HydrophobicContact CD2-CG 4.19Å; L429-Y440 HydrophobicContact CG-CD1 4.18Å; F430-Y440 CarbonylContact O-C 3.6Å; F430-Y440 WeakPolarHBondContact O-CA 3.24Å; V431-Y440 HydrophobicContact CB-CE1 4.47Å; V431-Y440 HydrophobicContact CG2-CD1 3.18Å; V431-Y440 HydrophobicContact CG2-CE1 3.07Å; V431-Y440 HydrophobicContact CG2-CG 4.13Å; N438-Y440 HydrophobicContact CB-CE2 3.69Å
441Y82.8Confident71.8Confident70 Ų7043 Ų4328%0.27521%0.209SC..EExtended strand (participates in β ladder)trans-150.6155.3175.368.8-82.3000112.1L429 F430 D432L429-Y441 WeakPolarHBondContact CD1-O 3.4Å; F430-Y441 HydrophobicContact CB-CD1 4.01Å; F430-Y441 HydrophobicContact CB-CD2 4.15Å; F430-Y441 HydrophobicContact CB-CE1 3.55Å; F430-Y441 HydrophobicContact CB-CE2 3.7Å; F430-Y441 HydrophobicContact CB-CG 4.29Å; F430-Y441 HydrophobicContact CD2-CE2 4.16Å; F430-Y441 HydrophobicContact CG-CE2 4.13Å; F430-Y441 PolarHBondContact N-O 3.42Å; F430-Y441 PolarHBondContact O-N 2.91Å; D432-Y441 HydrophobicContact CB-CE1 4.4Å
442L81.4Confident71.9Confident11 Ų1145.6 Ų45.66%0.05822%0.219CC..  trans-104.1150.6175.8-73.9137.8000109.8Y388 L391 L428 L429 Q446 L447 L450Y388-L442 HydrophobicContact CE2-CD2 4.43Å; L391-L442 HydrophobicContact CB-CD1 3.97Å; L391-L442 HydrophobicContact CD1-CD1 4.41Å; L428-L442 WeakPolarHBondContact O-CD2 3.5Å; L429-L442 HydrophobicContact CD1-CD1 4.44Å; L429-L442 HydrophobicContact CD1-CD2 4.26Å; L429-L442 HydrophobicContact CD1-CG 3.84Å; L442-Q446 HydrophobicContact CD2-CB 4.32Å; L442-L447 HydrophobicContact CB-CD1 4.17Å; L442-L447 HydrophobicContact CD1-CD1 4.24Å; L442-L450 HydrophobicContact CD2-CD1 4.41Å
443H75.8Confident72.5Confident47 Ų4749.3 Ų49.322%0.21824%0.236CC..  trans-76.8143.3171-173.7-68000109.9F430 L445 Q446 L447F430-H443 HydrophobicContact CE2-CB 3.9Å; H443-L445 VanDerWaalsContact C-N 3.27Å; H443-L445 PolarHBondContact ND1-N 2.93Å; H443-L445 PolarHBondContact O-N 2.99Å; H443-L445 VanDerWaalsContact O-N 3.12Å; H443-Q446 HydrophobicContact CB-CG 4.21Å; H443-Q446 WeakPolarHBondContact O-CA 3.31Å; H443-Q446 VanDerWaalsContact O-CB 3.31Å; H443-Q446 WeakPolarHBondContact O-CB 3.22Å; H443-Q446 PolarHBondContact O-N 3.43Å; H443-L447 PolarHBondContact O-N 2.94Å; H443-L447 VanDerWaalsContact O-N 3.16Å
444D71.9Confident73.4Confident13 Ų1346.3 Ų46.37%0.0722%0.22CC..Hα-helixtrans-48-47.7-176.1-55.9-17.3000113.7R270 K396 Q446 L447 D448R270-D444 IonicContact NH2-OD2 3.78Å; R270-D444 PolarHBondContact NH2-OD2 3.49Å; K396-D444 HydrophobicContact CD-CB 4.26Å; D444-Q446 VanDerWaalsContact C-N 3.25Å; D444-Q446 PolarHBondContact O-N 2.94Å; D444-L447 PolarHBondContact O-N 3.09Å; D444-L447 VanDerWaalsContact O-N 3.1Å; D444-D448 PolarHBondContact O-N 2.86Å
445L74.2Confident74.6Confident10 Ų1053 Ų535%0.05224%0.243CC..Hα-helixtrans-61.1-32.5179.3-60.2173.7000113.1A159 Y366 L369 H443 F449A159-L445 HydrophobicContact CB-CD1 4.39Å; Y366-L445 HydrophobicContact CD1-CD2 4.08Å; Y366-L445 HydrophobicContact CE1-CD1 4.16Å; Y366-L445 HydrophobicContact CE1-CD2 3.52Å; L369-L445 HydrophobicContact CD2-CB 3.51Å; L369-L445 HydrophobicContact CD2-CD1 3.68Å; L369-L445 HydrophobicContact CD2-CG 4.14Å; H443-L445 VanDerWaalsContact C-N 3.27Å; H443-L445 PolarHBondContact ND1-N 2.93Å; H443-L445 PolarHBondContact O-N 2.99Å; H443-L445 VanDerWaalsContact O-N 3.12Å; L445-F449 WeakPolarHBondContact O-CB 3.43Å; L445-F449 PolarHBondContact O-N 3.31Å; L445-F449 VanDerWaalsContact O-N 3.15Å
446Q77.3Confident76.3Confident0 Ų056.3 Ų56.30%025%0.254CS..Hα-helixtrans-71.3-39.1175.2-64.4170.6-4100111.1M373 S427 L428 L442 H443 D444 F449 L450M373-Q446 HydrophobicContact CE-CB 3.64Å; M373-Q446 HydrophobicContact CE-CG 3.83Å; M373-Q446 HydrophobicContact SD-CB 4.03Å; M373-Q446 HydrophobicContact SD-CG 3.81Å; S427-Q446 PolarHBondContact O-NE2 3.19Å; L428-Q446 PolarHBondContact O-NE2 2.94Å; L428-Q446 PolarHBondContact O-OE1 3.21Å; L442-Q446 HydrophobicContact CD2-CB 4.32Å; H443-Q446 HydrophobicContact CB-CG 4.21Å; H443-Q446 WeakPolarHBondContact O-CA 3.31Å; H443-Q446 VanDerWaalsContact O-CB 3.31Å; H443-Q446 WeakPolarHBondContact O-CB 3.22Å; H443-Q446 PolarHBondContact O-N 3.43Å; D444-Q446 VanDerWaalsContact C-N 3.25Å; D444-Q446 PolarHBondContact O-N 2.94Å; Q446-F449 PolarHBondContact O-N 2.76Å; Q446-L450 WeakPolarHBondContact O-CB 3.42Å; Q446-L450 WeakPolarHBondContact O-CG 3.48Å; Q446-L450 PolarHBondContact O-N 3.15Å
447L78.6Confident77.9Confident4 Ų448.6 Ų48.62%0.02123%0.229CC..Hα-helixtrans-70.6-40.7179-149139.9000111.1F394 K396 L442 H443 D444 F449 L450 E451F394-L447 WeakPolarHBondContact O-CD1 3.49Å; F394-L447 WeakPolarHBondContact O-CD2 3.22Å; K396-L447 HydrophobicContact CG-CB 4.41Å; K396-L447 HydrophobicContact CG-CD2 3.93Å; L442-L447 HydrophobicContact CB-CD1 4.17Å; L442-L447 HydrophobicContact CD1-CD1 4.24Å; H443-L447 PolarHBondContact O-N 2.94Å; H443-L447 VanDerWaalsContact O-N 3.16Å; D444-L447 PolarHBondContact O-N 3.09Å; D444-L447 VanDerWaalsContact O-N 3.1Å; L447-F449 VanDerWaalsContact C-N 3.34Å; L447-F449 PolarHBondContact O-N 3.33Å; L447-L450 PolarHBondContact O-N 3.34Å; L447-E451 HydrophobicContact CD2-CG 4.08Å; L447-E451 WeakPolarHBondContact CD2-OE1 3.33Å; L447-E451 WeakPolarHBondContact O-CB 3.41Å; L447-E451 WeakPolarHBondContact O-CG 3.32Å; L447-E451 PolarHBondContact O-N 2.93Å
448D74.3Confident79.2Confident37 Ų3747.7 Ų47.720%0.19822%0.224CC..Hα-helixtrans-55.9-46.6170.9-82-42.5000112K396 D444 L450 E452K396-D448 VanDerWaalsContact CE-OD1 3.29Å; K396-D448 WeakPolarHBondContact CE-OD1 3.08Å; K396-D448 IonicContact NZ-OD1 3.84Å; K396-D448 PolarHBondContact NZ-OD1 3.46Å; K396-D448 IonicContact NZ-OD2 3.51Å; K396-D448 PolarHBondContact NZ-OD2 3.03Å; D444-D448 PolarHBondContact O-N 2.86Å; D448-L450 VanDerWaalsContact C-N 3.35Å; D448-E452 WeakPolarHBondContact O-CG 3.33Å; D448-E452 PolarHBondContact O-N 3.34Å
449F79.1Confident80.1Confident6 Ų649.4 Ų49.43%0.02623%0.231CC..Hα-helixtrans-61.2-44.6176.6172.3-90.1000111.6D370 M373 A374 I377 L445 Q446 L447 E452 Q453D370-F449 HydrophobicContact CB-CD2 3.76Å; D370-F449 HydrophobicContact CB-CE2 3.9Å; D370-F449 WeakPolarHBondContact O-CE2 3.36Å; M373-F449 HydrophobicContact CB-CD1 4.02Å; M373-F449 HydrophobicContact CB-CD2 4.37Å; M373-F449 HydrophobicContact CB-CE1 3.94Å; M373-F449 HydrophobicContact CB-CE2 4.28Å; M373-F449 HydrophobicContact CB-CG 4.23Å; M373-F449 HydrophobicContact CB-CZ 4.07Å; M373-F449 HydrophobicContact CE-CB 4.01Å; M373-F449 HydrophobicContact CE-CD1 3.4Å; M373-F449 HydrophobicContact CE-CE1 4.16Å; M373-F449 HydrophobicContact CE-CG 3.9Å; M373-F449 HydrophobicContact SD-CB 3.73Å; M373-F449 HydrophobicContact SD-CD1 3.9Å; M373-F449 HydrophobicContact SD-CG 3.78Å; A374-F449 HydrophobicContact CB-CZ 4.08Å; I377-F449 HydrophobicContact CD1-CD1 4.37Å; I377-F449 HydrophobicContact CD1-CE1 3.62Å; I377-F449 HydrophobicContact CD1-CZ 4.49Å; L445-F449 WeakPolarHBondContact O-CB 3.43Å; L445-F449 PolarHBondContact O-N 3.31Å; L445-F449 VanDerWaalsContact O-N 3.15Å; Q446-F449 PolarHBondContact O-N 2.76Å; L447-F449 VanDerWaalsContact C-N 3.34Å; L447-F449 PolarHBondContact O-N 3.33Å; F449-E452 PolarHBondContact O-N 3.46Å; F449-Q453 WeakPolarHBondContact O-CB 3.47Å; F449-Q453 PolarHBondContact O-N 3.14Å
450L81.3Confident80.7Confident1 Ų150.7 Ų50.71%0.00524%0.243CC..Hα-helixtrans-66.8-40.6-179.7-81.7177.1000112.8I377 Y388 T392 L442 Q446 L447 D448 Q453 N454I377-L450 HydrophobicContact CD1-CD2 4.42Å; Y388-L450 HydrophobicContact CD1-CD2 4.13Å; Y388-L450 HydrophobicContact CE1-CD1 3.92Å; Y388-L450 HydrophobicContact CE1-CD2 3.86Å; Y388-L450 HydrophobicContact CE1-CG 4.3Å; T392-L450 HydrophobicContact CG2-CB 3.69Å; T392-L450 HydrophobicContact CG2-CD1 4.45Å; T392-L450 HydrophobicContact CG2-CD2 4.16Å; T392-L450 HydrophobicContact CG2-CG 4.32Å; L442-L450 HydrophobicContact CD2-CD1 4.41Å; Q446-L450 WeakPolarHBondContact O-CB 3.42Å; Q446-L450 WeakPolarHBondContact O-CG 3.48Å; Q446-L450 PolarHBondContact O-N 3.15Å; L447-L450 PolarHBondContact O-N 3.34Å; D448-L450 VanDerWaalsContact C-N 3.35Å; L450-Q453 PolarHBondContact O-N 2.93Å; L450-N454 WeakPolarHBondContact O-CB 3.23Å; L450-N454 PolarHBondContact O-N 2.94Å; L450-N454 PolarHBondContact O-ND2 2.71Å
451E78.8Confident81Confident65 Ų6551.3 Ų51.330%0.30425%0.247SC..Hα-helixtrans-63.4-41.3174.7-77.1-175170.900111.6L447 R455L447-E451 HydrophobicContact CD2-CG 4.08Å; L447-E451 WeakPolarHBondContact CD2-OE1 3.33Å; L447-E451 WeakPolarHBondContact O-CB 3.41Å; L447-E451 WeakPolarHBondContact O-CG 3.32Å; L447-E451 PolarHBondContact O-N 2.93Å; E451-R455 WeakPolarHBondContact O-CA 3.31Å; E451-R455 PolarHBondContact O-N 3.5Å
452E78.8Confident81.4Confident87 Ų8748 Ų4841%0.40723%0.234SC..Hα-helixtrans-67.7-41.4176.2-75.6-171.6169.600112.1R357 D448 F449R357-E452 WeakPolarHBondContact CD-OE1 3.4Å; R357-E452 VanDerWaalsContact CD-OE2 3.32Å; R357-E452 WeakPolarHBondContact CD-OE2 3.49Å; R357-E452 WeakPolarHBondContact CG-OE2 3.43Å; R357-E452 IonicContact CZ-OE2 3.89Å; R357-E452 IonicContact NE-OE1 2.77Å; R357-E452 IonicContact NE-OE2 3.59Å; R357-E452 PolarHBondContact NE-OE2 3.38Å; D448-E452 WeakPolarHBondContact O-CG 3.33Å; D448-E452 PolarHBondContact O-N 3.34Å; F449-E452 PolarHBondContact O-N 3.46Å
453Q81.3Confident81.9Confident82 Ų8254.3 Ų54.338%0.38326%0.257SS..Hα-helixtrans-66.2-40.2179.5-172.4-178.919.200112.4F449 L450F449-Q453 WeakPolarHBondContact O-CB 3.47Å; F449-Q453 PolarHBondContact O-N 3.14Å; L450-Q453 PolarHBondContact O-N 2.93Å
454N81.8Confident82.6Confident8 Ų855.8 Ų55.84%0.04326%0.263CS..THydrogen-bonded Turntrans-106.318.6-170.9-59.9-63.3000113.6T392 L450 D456 Q457 I458T392-N454 HydrophobicContact CG2-CB 4.1Å; T392-N454 VanDerWaalsContact CG2-ND2 3.27Å; T392-N454 WeakPolarHBondContact CG2-ND2 3.45Å; L450-N454 WeakPolarHBondContact O-CB 3.23Å; L450-N454 PolarHBondContact O-N 2.94Å; L450-N454 PolarHBondContact O-ND2 2.71Å; N454-D456 PolarHBondContact O-N 2.86Å; N454-Q457 WeakPolarHBondContact O-CA 3.33Å; N454-Q457 PolarHBondContact O-N 2.75Å; N454-I458 WeakPolarHBondContact O-CG1 3.49Å; N454-I458 PolarHBondContact O-N 3Å; N454-I458 VanDerWaalsContact O-N 3.11Å
455R80Confident83.5Confident169 Ų16955.4 Ų55.464%0.63826%0.261SS*.THydrogen-bonded Turntrans-49.3-38.9-171.6-167.7175.5-178.2-176.4-1.2115.2E451 Q457E451-R455 WeakPolarHBondContact O-CA 3.31Å; E451-R455 PolarHBondContact O-N 3.5Å; R455-Q457 VanDerWaalsContact C-N 3.34Å
456D83.6Confident84.2Confident162 Ų16255 Ų5587%0.86626%0.259SS*.THydrogen-bonded Turntrans-77.4-20.7-179.4-61.6-30.2000113N454N454-D456 PolarHBondContact O-N 2.86Å
457Q85.6Confident84.8Confident92 Ų9258.8 Ų58.843%0.4328%0.279SS..THydrogen-bonded Turntrans-101.3-9.3-176.6-63.1-179.30.600113.5N454 R455 Q459 S460 L461N454-Q457 WeakPolarHBondContact O-CA 3.33Å; N454-Q457 PolarHBondContact O-N 2.75Å; R455-Q457 VanDerWaalsContact C-N 3.34Å; Q457-Q459 PolarHBondContact O-N 3.06Å; Q457-Q459 VanDerWaalsContact O-N 3.16Å; Q457-S460 PolarHBondContact O-N 3.38Å; Q457-S460 PolarHBondContact O-OG 3.37Å; Q457-L461 HydrophobicContact CB-CD1 4.47Å; Q457-L461 WeakPolarHBondContact O-CG 3.24Å; Q457-L461 PolarHBondContact O-N 2.93Å
458I86.1Confident85.2Confident41 Ų4160.2 Ų60.221%0.2129%0.286CS..Hα-helixtrans-51.5-42.9-179.7-70173.2000111.4N454 S460 L461 H462N454-I458 WeakPolarHBondContact O-CG1 3.49Å; N454-I458 PolarHBondContact O-N 3Å; N454-I458 VanDerWaalsContact O-N 3.11Å; I458-S460 PolarHBondContact O-N 2.74Å; I458-L461 PolarHBondContact O-N 3.27Å; I458-H462 PolarHBondContact O-CD2 3.41Å; I458-H462 PolarHBondContact O-N 3.14Å
459Q88.6Confident85.8Confident83 Ų8359.3 Ų59.339%0.38828%0.28SS..Hα-helixtrans-63.5-42.5179.8-170.7-178.3-21.600112.2Q457 R463 A499Q457-Q459 PolarHBondContact O-N 3.06Å; Q457-Q459 VanDerWaalsContact O-N 3.16Å; Q459-R463 PolarHBondContact O-N 3.43Å; Q459-R463 VanDerWaalsContact O-N 3.17Å; Q459-A499 WeakPolarHBondContact CG-O 3.41Å; Q459-A499 PolarHBondContact NE2-O 3.21Å; Q459-A499 VanDerWaalsContact NE2-O 3.16Å
460S90.5Very high86.1Confident71 Ų7163.1 Ų63.150%0.49730%0.297SS..Hα-helixtrans-69.7-35.517844.50000112.7Q457 I458 R463 K464Q457-S460 PolarHBondContact O-N 3.38Å; Q457-S460 PolarHBondContact O-OG 3.37Å; I458-S460 PolarHBondContact O-N 2.74Å; S460-R463 WeakPolarHBondContact O-CB 3.35Å; S460-R463 PolarHBondContact O-N 3.21Å; S460-K464 PolarHBondContact O-N 2.71Å
461L89.4Confident86.3Confident18 Ų1869.7 Ų69.79%0.09433%0.328CS..Hα-helixtrans-67.9-42.6178.3-66.2172.6000111.2D390 T392 V393 Q457 I458 R463 K464 V465D390-L461 WeakPolarHBondContact OD1-CD2 3.28Å; T392-L461 WeakPolarHBondContact OG1-CD1 3.39Å; V393-L461 HydrophobicContact CG1-CB 3.55Å; Q457-L461 HydrophobicContact CB-CD1 4.47Å; Q457-L461 WeakPolarHBondContact O-CG 3.24Å; Q457-L461 PolarHBondContact O-N 2.93Å; I458-L461 PolarHBondContact O-N 3.27Å; L461-R463 VanDerWaalsContact C-N 3.31Å; L461-R463 PolarHBondContact O-N 2.97Å; L461-K464 WeakPolarHBondContact O-CB 3.4Å; L461-K464 PolarHBondContact O-N 3.44Å; L461-V465 WeakPolarHBondContact O-CG2 3.46Å; L461-V465 PolarHBondContact O-N 3.25Å
462H91.6Very high86.3Confident2 Ų271 Ų711%0.00933%0.334CS..Hα-helixtrans-63.1-36.9173.1-78.6-64.3000113V393 I458 V465 V466 Y494 H495 K498 A499V393-H462 PolarHBondContact O-CE1 2.65Å; V393-H462 VanDerWaalsContact O-CE1 3.25Å; I458-H462 PolarHBondContact O-CD2 3.41Å; I458-H462 PolarHBondContact O-N 3.14Å; H462-V465 WeakPolarHBondContact O-CB 3.23Å; H462-V465 PolarHBondContact O-N 2.99Å; H462-V466 WeakPolarHBondContact O-CG2 3.16Å; H462-V466 PolarHBondContact O-N 2.75Å; H462-Y494 AromaticContact CE1-CE1 3.73Å; H462-H495 AromaticContact CE1-ND1 3.45Å; H462-H495 PolarHBondContact CE1-ND1 3.07Å; H462-H495 AromaticContact ND1-CE1 3.97Å; H462-H495 AromaticContact ND1-CG 3.97Å; H462-H495 AromaticContact ND1-ND1 3.08Å; H462-H495 PolarHBondContact ND1-ND1 3.16Å; H462-K498 HydrophobicContact CB-CB 4.31Å; H462-K498 WeakPolarHBondContact CD2-CB 3.4Å; H462-A499 HydrophobicContact CB-CB 3.96Å
463R91.7Very high86.1Confident142 Ų14268.3 Ų68.354%0.53632%0.32SS..Hα-helixtrans-62-43.4175.2-173.7171.5-176167.93.9111.8Q459 S460 L461 V465 V466 D467 A499 M501Q459-R463 PolarHBondContact O-N 3.43Å; Q459-R463 VanDerWaalsContact O-N 3.17Å; S460-R463 WeakPolarHBondContact O-CB 3.35Å; S460-R463 PolarHBondContact O-N 3.21Å; L461-R463 VanDerWaalsContact C-N 3.31Å; L461-R463 PolarHBondContact O-N 2.97Å; R463-V465 VanDerWaalsContact C-N 3.31Å; R463-V465 PolarHBondContact O-N 3.5Å; R463-V466 PolarHBondContact O-N 2.76Å; R463-V466 VanDerWaalsContact O-N 3.16Å; R463-D467 VanDerWaalsContact O-CG 3.27Å; R463-D467 PolarHBondContact O-N 3.02Å; R463-A499 HydrophobicContact CB-CB 4.3Å; R463-M501 HydrophobicContact CG-SD 3.94Å
464K91.3Very high85.2Confident78 Ų7868.6 Ų68.634%0.33933%0.331SS..Hα-helixtrans-56.1-43.2174-179.8-178.5171.4-171.70112.2D390 S460 L461 V466 D467 Q468D390-K464 IonicContact OD1-NZ 3.9Å; D390-K464 PolarHBondContact OD1-NZ 2.87Å; D390-K464 IonicContact OD2-NZ 3.63Å; D390-K464 PolarHBondContact OD2-NZ 3.06Å; S460-K464 PolarHBondContact O-N 2.71Å; L461-K464 WeakPolarHBondContact O-CB 3.4Å; L461-K464 PolarHBondContact O-N 3.44Å; K464-V466 PolarHBondContact O-N 2.9Å; K464-D467 PolarHBondContact O-N 3.16Å; K464-Q468 WeakPolarHBondContact O-CB 3.48Å; K464-Q468 WeakPolarHBondContact O-CG 3.44Å; K464-Q468 PolarHBondContact O-N 2.86Å
465V89.9Confident83.8Confident6 Ų678.5 Ų78.54%0.03638%0.377CS..Hα-helixtrans-60.7-44.4177178.10000111.6V393 L408 L461 H462 R463 Y469 W488V393-V465 HydrophobicContact CB-CG2 4.19Å; V393-V465 HydrophobicContact CG1-CG2 4.09Å; V393-V465 HydrophobicContact CG2-CG2 3.79Å; L408-V465 HydrophobicContact CD1-CB 4.17Å; L408-V465 HydrophobicContact CD1-CG2 3.54Å; L461-V465 WeakPolarHBondContact O-CG2 3.46Å; L461-V465 PolarHBondContact O-N 3.25Å; H462-V465 WeakPolarHBondContact O-CB 3.23Å; H462-V465 PolarHBondContact O-N 2.99Å; R463-V465 VanDerWaalsContact C-N 3.31Å; R463-V465 PolarHBondContact O-N 3.5Å; V465-Y469 WeakPolarHBondContact O-CB 3.4Å; V465-Y469 PolarHBondContact O-N 3.43Å; V465-W488 HydrophobicContact CG1-CH2 3.93Å; V465-W488 HydrophobicContact CG1-CZ3 3.9Å
466V88.4Confident82.4Confident1 Ų173.8 Ų73.81%0.00637%0.374CS..Hα-helixtrans-68.2-44.8-179.4174.10000111.2H462 R463 K464 Q468 Y469 H470 H495 L496 M501H462-V466 WeakPolarHBondContact O-CG2 3.16Å; H462-V466 PolarHBondContact O-N 2.75Å; R463-V466 PolarHBondContact O-N 2.76Å; R463-V466 VanDerWaalsContact O-N 3.16Å; K464-V466 PolarHBondContact O-N 2.9Å; V466-Q468 VanDerWaalsContact C-N 3.27Å; V466-Q468 PolarHBondContact O-N 2.78Å; V466-Y469 WeakPolarHBondContact O-CB 3.34Å; V466-Y469 PolarHBondContact O-N 3.35Å; V466-H470 PolarHBondContact O-CD2 3.01Å; V466-H470 VanDerWaalsContact O-CD2 3.27Å; V466-H470 PolarHBondContact O-N 3.2Å; V466-H495 HydrophobicContact CG2-CB 4.01Å; V466-L496 HydrophobicContact CB-CD2 4.46Å; V466-L496 HydrophobicContact CG1-CD2 3.59Å; V466-L496 HydrophobicContact CG1-CG 4.49Å; V466-L496 HydrophobicContact CG2-CD2 3.99Å; V466-L496 HydrophobicContact CG2-CG 4.22Å; V466-M501 HydrophobicContact CB-SD 4.14Å; V466-M501 HydrophobicContact CG1-CE 4Å; V466-M501 HydrophobicContact CG1-SD 3.92Å
467D89.4Confident81.2Confident79 Ų7967.7 Ų67.742%0.42235%0.346SS..Hα-helixtrans-59.5-41.6178.2-68-24.3000110.6R463 K464 H470 H471R463-D467 VanDerWaalsContact O-CG 3.27Å; R463-D467 PolarHBondContact O-N 3.02Å; K464-D467 PolarHBondContact O-N 3.16Å; D467-H470 PolarHBondContact O-N 3.13Å; D467-H471 PolarHBondContact O-N 3.16Å
468Q87.6Confident80Confident34 Ų3463.7 Ų63.716%0.15933%0.329CS..Hα-helixtrans-68.8-37.4176.1-71.9-62.51000113.8V407 D410 K464 V466 H470 H471 H472V407-Q468 HydrophobicContact CG1-CB 4.47Å; V407-Q468 WeakPolarHBondContact O-CB 3.34Å; D410-Q468 PolarHBondContact OD1-OE1 3.48Å; D410-Q468 VanDerWaalsContact OD2-CD 3.26Å; D410-Q468 PolarHBondContact OD2-NE2 3.28Å; D410-Q468 PolarHBondContact OD2-OE1 3.5Å; D410-Q468 VanDerWaalsContact OD2-OE1 3.07Å; K464-Q468 WeakPolarHBondContact O-CB 3.48Å; K464-Q468 WeakPolarHBondContact O-CG 3.44Å; K464-Q468 PolarHBondContact O-N 2.86Å; V466-Q468 VanDerWaalsContact C-N 3.27Å; V466-Q468 PolarHBondContact O-N 2.78Å; Q468-H470 VanDerWaalsContact C-N 3.34Å; Q468-H470 PolarHBondContact O-N 2.81Å; Q468-H471 PolarHBondContact O-N 3.17Å; Q468-H472 PolarHBondContact O-N 2.78Å; Q468-H472 VanDerWaalsContact O-N 3.14Å
469Y86.8Confident78.4Confident19 Ų1966.4 Ų66.48%0.07535%0.347CS..Hα-helixtrans-59.2-46.8172.9172.7-93.8000111.3V465 V466 H471 H472 Y473 W488 L492V465-Y469 WeakPolarHBondContact O-CB 3.4Å; V465-Y469 PolarHBondContact O-N 3.43Å; V466-Y469 WeakPolarHBondContact O-CB 3.34Å; V466-Y469 PolarHBondContact O-N 3.35Å; Y469-H471 VanDerWaalsContact C-N 3.29Å; Y469-H471 PolarHBondContact O-N 3.36Å; Y469-H472 PolarHBondContact O-N 2.97Å; Y469-Y473 AromaticContact CD2-CD2 3.48Å; Y469-Y473 HydrophobicContact CD2-CD2 3.48Å; Y469-Y473 VanDerWaalsContact CD2-CD2 3.48Å; Y469-Y473 HydrophobicContact CD2-CE2 4.01Å; Y469-Y473 HydrophobicContact CD2-CG 4.25Å; Y469-Y473 AromaticContact CE2-CD2 3.61Å; Y469-Y473 HydrophobicContact CE2-CD2 3.61Å; Y469-Y473 HydrophobicContact CE2-CE2 4.23Å; Y469-Y473 AromaticContact CE2-CG 3.93Å; Y469-Y473 HydrophobicContact CE2-CG 3.93Å; Y469-Y473 HydrophobicContact CG-CD2 4.26Å; Y469-Y473 WeakPolarHBondContact O-CB 3.45Å; Y469-Y473 WeakPolarHBondContact O-CD2 3.49Å; Y469-Y473 PolarHBondContact O-N 3.45Å; Y469-W488 AromaticContact CD2-CD2 3.49Å; Y469-W488 HydrophobicContact CD2-CD2 3.49Å; Y469-W488 VanDerWaalsContact CD2-CD2 3.49Å; Y469-W488 AromaticContact CD2-CE2 3.82Å; Y469-W488 AromaticContact CD2-CE3 3.49Å; Y469-W488 HydrophobicContact CD2-CE3 3.49Å; Y469-W488 VanDerWaalsContact CD2-CE3 3.49Å; Y469-W488 HydrophobicContact CD2-CG 4Å; Y469-W488 HydrophobicContact CD2-CH2 4.14Å; Y469-W488 HydrophobicContact CD2-CZ2 4.15Å; Y469-W488 AromaticContact CD2-CZ3 3.83Å; Y469-W488 HydrophobicContact CD2-CZ3 3.83Å; Y469-W488 HydrophobicContact CE2-CB 4.03Å; Y469-W488 AromaticContact CE2-CD2 3.8Å; Y469-W488 HydrophobicContact CE2-CD2 3.8Å; Y469-W488 HydrophobicContact CE2-CE3 4.04Å; Y469-W488 AromaticContact CE2-CG 3.79Å; Y469-W488 HydrophobicContact CE2-CG 3.79Å; Y469-W488 HydrophobicContact CG-CE3 4.21Å; Y469-W488 HydrophobicContact CG-CZ3 4.21Å; Y469-L492 HydrophobicContact CD1-CD1 3.83Å; Y469-L492 HydrophobicContact CD1-CD2 4.37Å; Y469-L492 HydrophobicContact CE1-CD1 4.02Å; Y469-L492 HydrophobicContact CE1-CD2 3.7Å; Y469-L492 HydrophobicContact CE2-CD2 4.49Å; Y469-L492 HydrophobicContact CG-CD1 4.1Å
470H85.5Confident76.2Confident85 Ų8570.7 Ų70.739%0.39437%0.365SS..Hα-helixtrans-65.1-33.3177.9-71.4-54.9000112.8V466 D467 Q468 S474 E504V466-H470 PolarHBondContact O-CD2 3.01Å; V466-H470 VanDerWaalsContact O-CD2 3.27Å; V466-H470 PolarHBondContact O-N 3.2Å; D467-H470 PolarHBondContact O-N 3.13Å; Q468-H470 VanDerWaalsContact C-N 3.34Å; Q468-H470 PolarHBondContact O-N 2.81Å; H470-S474 PolarHBondContact O-N 3.37Å; H470-E504 IonicContact CD2-OE2 3.77Å; H470-E504 IonicContact CE1-OE2 3.97Å; H470-E504 IonicContact NE2-OE2 3.93Å; H470-E504 PolarHBondContact NE2-OE2 3.38Å
471H85.4Confident74.3Confident139 Ų13970.6 Ų70.664%0.64438%0.375SS*.Hα-helixtrans-63.7-44.3176.7-169.162.3000112.4D467 Q468 Y469D467-H471 PolarHBondContact O-N 3.16Å; Q468-H471 PolarHBondContact O-N 3.17Å; Y469-H471 VanDerWaalsContact C-N 3.29Å; Y469-H471 PolarHBondContact O-N 3.36Å
472H79.6Confident72.9Confident94 Ų9471.8 Ų71.844%0.43538%0.381SS..Hα-helixtrans-84.1-33.4-177.3-84.8-89.8000114.7V407 D410 Q468 Y469V407-H472 HydrophobicContact CG1-CB 4.25Å; D410-H472 IonicContact OD1-CD2 2.82Å; D410-H472 PolarHBondContact OD1-CD2 3.06Å; D410-H472 IonicContact OD1-CE1 3.03Å; D410-H472 IonicContact OD1-NE2 3.76Å; D410-H472 PolarHBondContact OD1-NE2 2.98Å; Q468-H472 PolarHBondContact O-N 2.78Å; Q468-H472 VanDerWaalsContact O-N 3.14Å; Y469-H472 PolarHBondContact O-N 2.97Å
473Y74.3Confident71.3Confident29 Ų2976.8 Ų76.811%0.11441%0.405CS..Hα-helixtrans-110.920.4-169.9-63.5-82.6000114.3V407 Y469 E475 A476 P478 W488V407-Y473 HydrophobicContact CG1-CE2 4.25Å; V407-Y473 HydrophobicContact CG2-CE2 4.07Å; Y469-Y473 AromaticContact CD2-CD2 3.48Å; Y469-Y473 HydrophobicContact CD2-CD2 3.48Å; Y469-Y473 VanDerWaalsContact CD2-CD2 3.48Å; Y469-Y473 HydrophobicContact CD2-CE2 4.01Å; Y469-Y473 HydrophobicContact CD2-CG 4.25Å; Y469-Y473 AromaticContact CE2-CD2 3.61Å; Y469-Y473 HydrophobicContact CE2-CD2 3.61Å; Y469-Y473 HydrophobicContact CE2-CE2 4.23Å; Y469-Y473 AromaticContact CE2-CG 3.93Å; Y469-Y473 HydrophobicContact CE2-CG 3.93Å; Y469-Y473 HydrophobicContact CG-CD2 4.26Å; Y469-Y473 WeakPolarHBondContact O-CB 3.45Å; Y469-Y473 WeakPolarHBondContact O-CD2 3.49Å; Y469-Y473 PolarHBondContact O-N 3.45Å; Y473-E475 PolarHBondContact O-N 3.4Å; Y473-A476 PolarHBondContact O-N 3.44Å; Y473-A476 VanDerWaalsContact O-O 3.08Å; Y473-P478 HydrophobicContact CD1-CB 4.22Å; Y473-P478 HydrophobicContact CE1-CB 4.1Å; Y473-W488 AromaticContact CE2-NE1 3.68Å; Y473-W488 AromaticContact CZ-NE1 3.84Å
474S61.1Low70.1Confident89 Ų8970 Ų7062%0.62238%0.38SS*.THydrogen-bonded Turntrans-16.4106.4-177.365.40000115.8H470 A476H470-S474 PolarHBondContact O-N 3.37Å; S474-A476 PolarHBondContact O-N 3.27Å
475E52.7Low69.3Low215 Ų21568 Ų68100%1.00537%0.37SS*.THydrogen-bonded Turntrans42.9-15.6-179.5-74.4-169171.700119.2Y473Y473-E475 PolarHBondContact O-N 3.4Å
476A51.7Low68.5Low70 Ų7073.3 Ų73.358%0.57940%0.398SS*.SBendtrans-104.7104.8-17400000107.5Y473 S474Y473-A476 PolarHBondContact O-N 3.44Å; Y473-A476 VanDerWaalsContact O-O 3.08Å; S474-A476 PolarHBondContact O-N 3.27Å
477A57.6Low68.3Low34 Ų3474 Ų7428%0.28140%0.4SS..PPolyproline II helixtrans-53.5150.2-177.500000113.3T479 M517A477-T479 PolarHBondContact O-N 3.45Å; A477-M517 HydrophobicContact CB-CE 3.44Å; A477-M517 VanDerWaalsContact CB-CE 3.44Å; A477-M517 HydrophobicContact CB-SD 3.25Å; A477-M517 WeakPolarHBondContact CB-SD 3.32Å
478P59.9Low68.1Low9 Ų970.4 Ų70.46%0.05838%0.381CS..PPolyproline II helixtrans-54128.9-175.417-30.2000112.6Y473 R485Y473-P478 HydrophobicContact CD1-CB 4.22Å; Y473-P478 HydrophobicContact CE1-CB 4.1Å; P478-R485 HydrophobicContact CB-CB 4.24Å; P478-R485 HydrophobicContact CB-CG 4.05Å; P478-R485 HydrophobicContact CG-CG 4.11Å; P478-R485 WeakPolarHBondContact O-CD 3.17Å; P478-R485 PolarHBondContact O-NE 3.41Å; P478-R485 VanDerWaalsContact O-NE 3.14Å
479T54.3Low67.8Low98 Ų9869 Ų6960%0.60137%0.374SS*.PPolyproline II helixtrans-79.2167.5-171.563.90000113A477 G481 D482 R485A477-T479 PolarHBondContact O-N 3.45Å; T479-G481 PolarHBondContact O-N 3.45Å; T479-D482 PolarHBondContact O-N 3.29Å; T479-R485 WeakPolarHBondContact O-CD 3.49Å
480F42.6Very low67.4Low172 Ų17270.1 Ų70.175%0.75438%0.378SS*.THydrogen-bonded Turntrans-68.496.2177-120.9-86.7000109.6R485F480-R485 VanDerWaalsContact CE2-NH1 3.26Å
481G50.1Low67.4Low69 Ų6966.5 Ų66.571%0.71136%0.361SS*.THydrogen-bonded Turntrans149.5-16.5-179.200000114.5T479 E483T479-G481 PolarHBondContact O-N 3.45Å; G481-E483 PolarHBondContact O-N 3.34Å
482D59.1Low67.5Low43 Ų4360.1 Ų60.123%0.2333%0.332CS..  trans-79.6120.1-179.8-78.6-46.9000113.3K403 T479 G484 R485K403-D482 IonicContact NZ-OD1 3.91Å; K403-D482 PolarHBondContact NZ-OD1 3.02Å; T479-D482 PolarHBondContact O-N 3.29Å; D482-G484 PolarHBondContact O-N 2.85Å; D482-G484 VanDerWaalsContact O-N 3.09Å; D482-R485 HydrophobicContact CB-CB 4.32Å; D482-R485 WeakPolarHBondContact O-CB 3.48Å; D482-R485 PolarHBondContact O-N 3.18Å
483E59.5Low67.8Low107 Ų10755.6 Ų55.650%0.531%0.311SS..THydrogen-bonded Turntrans-60.2-19.2-179.5-62.7169.5171.800113.5K403 L437 G481K403-E483 HydrophobicContact CD-CB 4.21Å; L437-E483 HydrophobicContact CD1-CB 4.07Å; L437-E483 HydrophobicContact CD1-CG 3.83Å; L437-E483 HydrophobicContact CD2-CG 4.42Å; L437-E483 WeakPolarHBondContact CD2-OE1 3.36Å; L437-E483 VanDerWaalsContact CD2-OE2 3.23Å; L437-E483 WeakPolarHBondContact CD2-OE2 3.39Å; G481-E483 PolarHBondContact O-N 3.34Å
484G64.4Low68.4Low1 Ų155.3 Ų55.31%0.0131%0.31CS..THydrogen-bonded Turntrans-95.1-4.1174.800000115.4D482 L486 Y487 W488D482-G484 PolarHBondContact O-N 2.85Å; D482-G484 VanDerWaalsContact O-N 3.09Å; G484-L486 PolarHBondContact O-N 3.06Å; G484-Y487 WeakPolarHBondContact O-CB 3.33Å; G484-Y487 PolarHBondContact O-N 2.94Å; G484-Y487 VanDerWaalsContact O-N 3.17Å; G484-W488 PolarHBondContact O-N 3.43Å
485R74.6Confident69.8Low35 Ų3551.1 Ų51.113%0.13228%0.28CS..Hα-helixtrans-59.4-42.4-171.9178.9174.2-177.3-143.2-0.9113.4P478 T479 F480 D482 Y487 W488 I489P478-R485 HydrophobicContact CB-CB 4.24Å; P478-R485 HydrophobicContact CB-CG 4.05Å; P478-R485 HydrophobicContact CG-CG 4.11Å; P478-R485 WeakPolarHBondContact O-CD 3.17Å; P478-R485 PolarHBondContact O-NE 3.41Å; P478-R485 VanDerWaalsContact O-NE 3.14Å; T479-R485 WeakPolarHBondContact O-CD 3.49Å; F480-R485 VanDerWaalsContact CE2-NH1 3.26Å; D482-R485 HydrophobicContact CB-CB 4.32Å; D482-R485 WeakPolarHBondContact O-CB 3.48Å; D482-R485 PolarHBondContact O-N 3.18Å; R485-Y487 VanDerWaalsContact C-N 3.27Å; R485-Y487 PolarHBondContact O-N 3.43Å; R485-W488 PolarHBondContact O-N 3.09Å; R485-I489 HydrophobicContact CG-CD1 3.61Å; R485-I489 HydrophobicContact CG-CG1 4.23Å; R485-I489 VanDerWaalsContact O-CG1 3.3Å; R485-I489 WeakPolarHBondContact O-CG1 3.33Å; R485-I489 PolarHBondContact O-N 3.43Å
486L74.9Confident71.5Confident118 Ų11841 Ų4162%0.61823%0.234SC*.Hα-helixtrans-62.4-37.9-179.4-73.3170000111.7G484 R490 V521G484-L486 PolarHBondContact O-N 3.06Å; L486-R490 VanDerWaalsContact O-CB 3.32Å; L486-R490 WeakPolarHBondContact O-CB 3.5Å; L486-R490 PolarHBondContact O-N 3.02Å; L486-V521 HydrophobicContact CD2-CG1 3.65Å
487Y82.4Confident73.2Confident15 Ų1538.2 Ų38.26%0.05921%0.21CC..Hα-helixtrans-66.1-50176.9179.2-85000111.2F394 V398 I404 G484 R485 I489 R490 F491 H495F394-Y487 AromaticContact CD1-CE2 3.95Å; F394-Y487 HydrophobicContact CD1-CE2 3.95Å; F394-Y487 AromaticContact CD1-CZ 3.78Å; F394-Y487 WeakPolarHBondContact CD1-OH 3.25Å; F394-Y487 HydrophobicContact CE1-CE1 4.47Å; F394-Y487 HydrophobicContact CE1-CE2 4.06Å; F394-Y487 AromaticContact CE1-CZ 3.66Å; F394-Y487 WeakPolarHBondContact CE1-OH 3.5Å; V398-Y487 HydrophobicContact CG1-CD2 4.49Å; V398-Y487 HydrophobicContact CG1-CE2 4.31Å; I404-Y487 HydrophobicContact CD1-CD1 3.46Å; I404-Y487 VanDerWaalsContact CD1-CD1 3.46Å; I404-Y487 HydrophobicContact CD1-CD2 3.59Å; I404-Y487 HydrophobicContact CD1-CE1 4.23Å; I404-Y487 HydrophobicContact CD1-CE2 4.33Å; I404-Y487 HydrophobicContact CD1-CG 3.11Å; I404-Y487 HydrophobicContact CG1-CG 4.5Å; I404-Y487 HydrophobicContact CG2-CD1 4.09Å; I404-Y487 HydrophobicContact CG2-CE1 4.02Å; G484-Y487 WeakPolarHBondContact O-CB 3.33Å; G484-Y487 PolarHBondContact O-N 2.94Å; G484-Y487 VanDerWaalsContact O-N 3.17Å; R485-Y487 VanDerWaalsContact C-N 3.27Å; R485-Y487 PolarHBondContact O-N 3.43Å; Y487-I489 PolarHBondContact O-N 3.24Å; Y487-R490 PolarHBondContact O-N 3.35Å; Y487-R490 VanDerWaalsContact O-N 3.12Å; Y487-F491 HydrophobicContact CD1-CD2 4.4Å; Y487-F491 AromaticContact CD2-CD2 3.45Å; Y487-F491 HydrophobicContact CD2-CD2 3.45Å; Y487-F491 VanDerWaalsContact CD2-CD2 3.45Å; Y487-F491 AromaticContact CD2-CE2 3.86Å; Y487-F491 HydrophobicContact CD2-CE2 3.86Å; Y487-F491 HydrophobicContact CE1-CB 4.15Å; Y487-F491 HydrophobicContact CE1-CD2 4.42Å; Y487-F491 HydrophobicContact CE2-CB 4.45Å; Y487-F491 AromaticContact CE2-CD2 3.47Å; Y487-F491 HydrophobicContact CE2-CD2 3.47Å; Y487-F491 VanDerWaalsContact CE2-CD2 3.47Å; Y487-F491 AromaticContact CE2-CE2 3.97Å; Y487-F491 HydrophobicContact CE2-CE2 3.97Å; Y487-F491 HydrophobicContact CE2-CG 4.2Å; Y487-F491 AromaticContact CG-CD2 3.91Å; Y487-F491 HydrophobicContact CG-CD2 3.91Å; Y487-F491 AromaticContact CZ-CD2 3.95Å; Y487-F491 PolarHBondContact O-N 2.65Å; Y487-H495 AromaticContact CE1-NE2 3.65Å; Y487-H495 AromaticContact CZ-NE2 3.59Å; Y487-H495 PolarHBondContact OH-CE1 2.92Å; Y487-H495 VanDerWaalsContact OH-CE1 3.31Å; Y487-H495 PolarHBondContact OH-NE2 3.09Å
488W85.4Confident74.7Confident4 Ų441.7 Ų41.72%0.01522%0.219CC..Hα-helixtrans-62.4-44.6-178.6-66.6121.3000112.2I404 V407 V465 Y469 Y473 G484 R485 R490 L492I404-W488 HydrophobicContact CG2-CH2 4.43Å; I404-W488 HydrophobicContact CG2-CZ2 4.03Å; V407-W488 HydrophobicContact CB-CZ2 4.25Å; V407-W488 HydrophobicContact CG1-CH2 4.48Å; V407-W488 HydrophobicContact CG1-CZ2 3.92Å; V465-W488 HydrophobicContact CG1-CH2 3.93Å; V465-W488 HydrophobicContact CG1-CZ3 3.9Å; Y469-W488 AromaticContact CD2-CD2 3.49Å; Y469-W488 HydrophobicContact CD2-CD2 3.49Å; Y469-W488 VanDerWaalsContact CD2-CD2 3.49Å; Y469-W488 AromaticContact CD2-CE2 3.82Å; Y469-W488 AromaticContact CD2-CE3 3.49Å; Y469-W488 HydrophobicContact CD2-CE3 3.49Å; Y469-W488 VanDerWaalsContact CD2-CE3 3.49Å; Y469-W488 HydrophobicContact CD2-CG 4Å; Y469-W488 HydrophobicContact CD2-CH2 4.14Å; Y469-W488 HydrophobicContact CD2-CZ2 4.15Å; Y469-W488 AromaticContact CD2-CZ3 3.83Å; Y469-W488 HydrophobicContact CD2-CZ3 3.83Å; Y469-W488 HydrophobicContact CE2-CB 4.03Å; Y469-W488 AromaticContact CE2-CD2 3.8Å; Y469-W488 HydrophobicContact CE2-CD2 3.8Å; Y469-W488 HydrophobicContact CE2-CE3 4.04Å; Y469-W488 AromaticContact CE2-CG 3.79Å; Y469-W488 HydrophobicContact CE2-CG 3.79Å; Y469-W488 HydrophobicContact CG-CE3 4.21Å; Y469-W488 HydrophobicContact CG-CZ3 4.21Å; Y473-W488 AromaticContact CE2-NE1 3.68Å; Y473-W488 AromaticContact CZ-NE1 3.84Å; G484-W488 PolarHBondContact O-N 3.43Å; R485-W488 PolarHBondContact O-N 3.09Å; W488-R490 PolarHBondContact O-N 2.78Å; W488-L492 WeakPolarHBondContact O-CB 3.36Å; W488-L492 PolarHBondContact O-N 3.19Å
489I82.1Confident76Confident4 Ų441.4 Ų41.42%0.02122%0.217CC..Hα-helixtrans-62.7-30.3178.2-59.5174.2000111.2R485 Y487 W514 K518 V521 M522R485-I489 HydrophobicContact CG-CD1 3.61Å; R485-I489 HydrophobicContact CG-CG1 4.23Å; R485-I489 VanDerWaalsContact O-CG1 3.3Å; R485-I489 WeakPolarHBondContact O-CG1 3.33Å; R485-I489 PolarHBondContact O-N 3.43Å; Y487-I489 PolarHBondContact O-N 3.24Å; I489-W514 HydrophobicContact CB-CH2 4.49Å; I489-W514 HydrophobicContact CG2-CH2 4.37Å; I489-K518 HydrophobicContact CG2-CB 3.88Å; I489-K518 HydrophobicContact CG2-CD 4.2Å; I489-K518 HydrophobicContact CG2-CG 3.86Å; I489-K518 PolarHBondContact O-NZ 2.59Å; I489-V521 HydrophobicContact CD1-CB 4.32Å; I489-V521 HydrophobicContact CD1-CG1 4.32Å; I489-V521 HydrophobicContact CD1-CG2 3.97Å; I489-M522 VanDerWaalsContact C-CE 3.42Å; I489-M522 HydrophobicContact CB-CE 3.74Å; I489-M522 HydrophobicContact CG2-CE 3.3Å; I489-M522 WeakPolarHBondContact O-CE 3.25Å
490R78.6Confident77.6Confident42 Ų4242.4 Ų42.416%0.15821%0.213CC..Hα-helixtrans-80.7-50.2179.1-173.2171.8176.9-165-2.1113.3D197 L486 Y487 W488 M522D197-R490 VanDerWaalsContact CG-NH2 3.33Å; D197-R490 IonicContact OD1-CZ 3.96Å; D197-R490 IonicContact OD1-NE 2.66Å; D197-R490 IonicContact OD1-NH2 2.99Å; D197-R490 PolarHBondContact OD1-NH2 3.39Å; L486-R490 VanDerWaalsContact O-CB 3.32Å; L486-R490 WeakPolarHBondContact O-CB 3.5Å; L486-R490 PolarHBondContact O-N 3.02Å; Y487-R490 PolarHBondContact O-N 3.35Å; Y487-R490 VanDerWaalsContact O-N 3.12Å; W488-R490 PolarHBondContact O-N 2.78Å; R490-M522 HydrophobicContact CB-CE 3.89Å; R490-M522 HydrophobicContact CB-SD 4.13Å; R490-M522 HydrophobicContact CG-SD 4.43Å
491F84.8Confident79.8Confident9 Ų935.3 Ų35.34%0.03918%0.183CC..Hα-helixtrans-108.9-1.3-165.2-60.8-69.4000114.9V398 Y487 T493 Y494 H495V398-F491 HydrophobicContact CG1-CE2 3.86Å; V398-F491 HydrophobicContact CG1-CZ 4.06Å; V398-F491 HydrophobicContact CG2-CE1 4.32Å; V398-F491 HydrophobicContact CG2-CE2 4.3Å; V398-F491 HydrophobicContact CG2-CZ 3.65Å; Y487-F491 HydrophobicContact CD1-CD2 4.4Å; Y487-F491 AromaticContact CD2-CD2 3.45Å; Y487-F491 HydrophobicContact CD2-CD2 3.45Å; Y487-F491 VanDerWaalsContact CD2-CD2 3.45Å; Y487-F491 AromaticContact CD2-CE2 3.86Å; Y487-F491 HydrophobicContact CD2-CE2 3.86Å; Y487-F491 HydrophobicContact CE1-CB 4.15Å; Y487-F491 HydrophobicContact CE1-CD2 4.42Å; Y487-F491 HydrophobicContact CE2-CB 4.45Å; Y487-F491 AromaticContact CE2-CD2 3.47Å; Y487-F491 HydrophobicContact CE2-CD2 3.47Å; Y487-F491 VanDerWaalsContact CE2-CD2 3.47Å; Y487-F491 AromaticContact CE2-CE2 3.97Å; Y487-F491 HydrophobicContact CE2-CE2 3.97Å; Y487-F491 HydrophobicContact CE2-CG 4.2Å; Y487-F491 AromaticContact CG-CD2 3.91Å; Y487-F491 HydrophobicContact CG-CD2 3.91Å; Y487-F491 AromaticContact CZ-CD2 3.95Å; Y487-F491 PolarHBondContact O-N 2.65Å; F491-T493 PolarHBondContact O-N 3.4Å; F491-Y494 WeakPolarHBondContact O-CB 3.43Å; F491-Y494 PolarHBondContact O-N 3.32Å; F491-H495 PolarHBondContact O-CD2 3.28Å; F491-H495 VanDerWaalsContact O-CD2 3.27Å; F491-H495 PolarHBondContact O-N 3.13Å
492L87.9Confident81.5Confident5 Ų535.6 Ų35.63%0.02617%0.165CC..Hα-helixtrans-61.7-43177.2179.762.7000112.1Y469 W488 Y494 H495 L496 L508 W514Y469-L492 HydrophobicContact CD1-CD1 3.83Å; Y469-L492 HydrophobicContact CD1-CD2 4.37Å; Y469-L492 HydrophobicContact CE1-CD1 4.02Å; Y469-L492 HydrophobicContact CE1-CD2 3.7Å; Y469-L492 HydrophobicContact CE2-CD2 4.49Å; Y469-L492 HydrophobicContact CG-CD1 4.1Å; W488-L492 WeakPolarHBondContact O-CB 3.36Å; W488-L492 PolarHBondContact O-N 3.19Å; L492-Y494 VanDerWaalsContact C-N 3.32Å; L492-Y494 PolarHBondContact O-N 3.21Å; L492-H495 PolarHBondContact O-N 3.4Å; L492-L496 HydrophobicContact CD1-CD1 4.41Å; L492-L496 HydrophobicContact CG-CD1 4.16Å; L492-L496 WeakPolarHBondContact O-CG 3.31Å; L492-L496 PolarHBondContact O-N 3.11Å; L492-L508 HydrophobicContact CD2-CD1 4.43Å; L492-L508 HydrophobicContact CD2-CD2 3.68Å; L492-L508 HydrophobicContact CG-CD2 3.91Å; L492-W514 HydrophobicContact CB-CH2 4.36Å; L492-W514 HydrophobicContact CD2-CH2 4.09Å; L492-W514 HydrophobicContact CD2-CZ3 4.27Å
493T86.1Confident82.7Confident0 Ų041.4 Ų41.40%019%0.191CC..Hα-helixtrans-62.2-40.5175.645.60000111.5F491 L496 A497 L505 L508 M509 W514 D530F491-T493 PolarHBondContact O-N 3.4Å; T493-L496 PolarHBondContact O-N 3.17Å; T493-A497 WeakPolarHBondContact O-CB 3.4Å; T493-A497 PolarHBondContact O-N 3.2Å; T493-L505 HydrophobicContact CG2-CD1 4.23Å; T493-L508 HydrophobicContact CG2-CD2 4.07Å; T493-M509 HydrophobicContact CG2-CG 4.14Å; T493-M509 HydrophobicContact CG2-SD 4.46Å; T493-W514 HydrophobicContact CG2-CZ2 4.14Å; T493-D530 WeakPolarHBondContact CB-OD2 3.35Å; T493-D530 WeakPolarHBondContact CG2-OD2 3.48Å; T493-D530 PolarHBondContact OG1-OD2 3.3Å
494Y87.2Confident84Confident23 Ų2339.4 Ų39.49%0.0918%0.181CC..Hα-helixtrans-59.5-49173.7169.8-104000112.7Q395 H462 F491 L492 A497 K498 Y534Q395-Y494 HydrophobicContact CG-CD1 4.38Å; Q395-Y494 HydrophobicContact CG-CE1 3.79Å; Q395-Y494 HydrophobicContact CG-CE2 4.24Å; H462-Y494 AromaticContact CE1-CE1 3.73Å; F491-Y494 WeakPolarHBondContact O-CB 3.43Å; F491-Y494 PolarHBondContact O-N 3.32Å; L492-Y494 VanDerWaalsContact C-N 3.32Å; L492-Y494 PolarHBondContact O-N 3.21Å; Y494-A497 PolarHBondContact O-N 2.91Å; Y494-K498 HydrophobicContact CD2-CG 4.17Å; Y494-K498 HydrophobicContact CE1-CG 4.45Å; Y494-K498 HydrophobicContact CE2-CD 4.24Å; Y494-K498 HydrophobicContact CE2-CG 3.75Å; Y494-K498 WeakPolarHBondContact O-CG 3.46Å; Y494-K498 PolarHBondContact O-N 3.25Å; Y494-Y534 WeakPolarHBondContact CA-OH 3.27Å
495H89.6Confident85.1Confident0 Ų039.4 Ų39.40%018%0.181CC..Hα-helixtrans-64.1-41.8179.1-67.5-41.8000112.4V393 H462 V466 Y487 F491 L492 K498 A499V393-H495 PolarHBondContact O-CE1 3.49Å; H462-H495 AromaticContact CE1-ND1 3.45Å; H462-H495 PolarHBondContact CE1-ND1 3.07Å; H462-H495 AromaticContact ND1-CE1 3.97Å; H462-H495 AromaticContact ND1-CG 3.97Å; H462-H495 AromaticContact ND1-ND1 3.08Å; H462-H495 PolarHBondContact ND1-ND1 3.16Å; V466-H495 HydrophobicContact CG2-CB 4.01Å; Y487-H495 AromaticContact CE1-NE2 3.65Å; Y487-H495 AromaticContact CZ-NE2 3.59Å; Y487-H495 PolarHBondContact OH-CE1 2.92Å; Y487-H495 VanDerWaalsContact OH-CE1 3.31Å; Y487-H495 PolarHBondContact OH-NE2 3.09Å; F491-H495 PolarHBondContact O-CD2 3.28Å; F491-H495 VanDerWaalsContact O-CD2 3.27Å; F491-H495 PolarHBondContact O-N 3.13Å; L492-H495 PolarHBondContact O-N 3.4Å; H495-K498 PolarHBondContact O-N 3.24Å; H495-A499 VanDerWaalsContact O-CB 3.26Å; H495-A499 WeakPolarHBondContact O-CB 3.49Å; H495-A499 PolarHBondContact O-N 3.04Å
496L89.8Confident85.6Confident4 Ų438.7 Ų38.72%0.02118%0.178CC..Hα-helixtrans-61.1-44.3175.1-76168.2000112.3V466 L492 T493 A499 K500 M501 E504 L505 L508V466-L496 HydrophobicContact CB-CD2 4.46Å; V466-L496 HydrophobicContact CG1-CD2 3.59Å; V466-L496 HydrophobicContact CG1-CG 4.49Å; V466-L496 HydrophobicContact CG2-CD2 3.99Å; V466-L496 HydrophobicContact CG2-CG 4.22Å; L492-L496 HydrophobicContact CD1-CD1 4.41Å; L492-L496 HydrophobicContact CG-CD1 4.16Å; L492-L496 WeakPolarHBondContact O-CG 3.31Å; L492-L496 PolarHBondContact O-N 3.11Å; T493-L496 PolarHBondContact O-N 3.17Å; L496-A499 PolarHBondContact O-N 3.14Å; L496-K500 PolarHBondContact O-N 2.85Å; L496-M501 HydrophobicContact CD2-CB 4.1Å; L496-M501 PolarHBondContact O-N 2.78Å; L496-M501 VanDerWaalsContact O-N 3.15Å; L496-E504 HydrophobicContact CD2-CB 3.82Å; L496-L505 HydrophobicContact CB-CB 4.24Å; L496-L505 HydrophobicContact CB-CD1 3.95Å; L496-L505 HydrophobicContact CD1-CD1 4.35Å; L496-L508 HydrophobicContact CD1-CD2 3.69Å
497A87.3Confident86.2Confident11 Ų1137 Ų379%0.09118%0.177CC..Hα-helixtrans-63.9-45.5178.700000111.8T493 Y494 K500 L505 Y534T493-A497 WeakPolarHBondContact O-CB 3.4Å; T493-A497 PolarHBondContact O-N 3.2Å; Y494-A497 PolarHBondContact O-N 2.91Å; A497-K500 PolarHBondContact O-N 3.44Å; A497-L505 HydrophobicContact CB-CD2 4.2Å; A497-Y534 HydrophobicContact CB-CD1 3.73Å; A497-Y534 HydrophobicContact CB-CE1 3.63Å; A497-Y534 HydrophobicContact CB-CG 4.36Å
498K87.8Confident86.5Confident106 Ų10638 Ų3846%0.46118%0.182SC..Hα-helixtrans-69.6-31.1178-68.1-71.5-174.2174.90113.2H462 Y494 H495 K500H462-K498 HydrophobicContact CB-CB 4.31Å; H462-K498 WeakPolarHBondContact CD2-CB 3.4Å; Y494-K498 HydrophobicContact CD2-CG 4.17Å; Y494-K498 HydrophobicContact CE1-CG 4.45Å; Y494-K498 HydrophobicContact CE2-CD 4.24Å; Y494-K498 HydrophobicContact CE2-CG 3.75Å; Y494-K498 WeakPolarHBondContact O-CG 3.46Å; Y494-K498 PolarHBondContact O-N 3.25Å; H495-K498 PolarHBondContact O-N 3.24Å; K498-K500 PolarHBondContact O-N 2.94Å
499A88.2Confident86.5Confident3 Ų337.9 Ų37.93%0.02518%0.182CC..Hα-helixtrans-70.9-1517300000113.4Q459 H462 R463 H495 L496 M501Q459-A499 WeakPolarHBondContact CG-O 3.41Å; Q459-A499 PolarHBondContact NE2-O 3.21Å; Q459-A499 VanDerWaalsContact NE2-O 3.16Å; H462-A499 HydrophobicContact CB-CB 3.96Å; R463-A499 HydrophobicContact CB-CB 4.3Å; H495-A499 VanDerWaalsContact O-CB 3.26Å; H495-A499 WeakPolarHBondContact O-CB 3.49Å; H495-A499 PolarHBondContact O-N 3.04Å; L496-A499 PolarHBondContact O-N 3.14Å; A499-M501 VanDerWaalsContact C-N 3.3Å; A499-M501 HydrophobicContact CB-CG 3.9Å; A499-M501 HydrophobicContact CB-SD 3.92Å
500K88.2Confident86.8Confident119 Ų11938.8 Ų38.852%0.51719%0.186SC..THydrogen-bonded Turntrans61.232.4-170.1-53.9-177-173.1147.40113.6L496 A497 K498 F502L496-K500 PolarHBondContact O-N 2.85Å; A497-K500 PolarHBondContact O-N 3.44Å; K498-K500 PolarHBondContact O-N 2.94Å; K500-F502 VanDerWaalsContact C-N 3.29Å; K500-F502 HydrophobicContact CB-CE1 4.21Å; K500-F502 HydrophobicContact CB-CE2 3.94Å; K500-F502 HydrophobicContact CB-CZ 3.67Å; K500-F502 HydrophobicContact CG-CZ 3.94Å; K500-F502 PolarHBondContact O-N 2.82Å; K500-F502 VanDerWaalsContact O-N 3.16Å
501M87.7Confident87.3Confident24 Ų2438 Ų3812%0.11819%0.187CC..  trans-88.865.9176.4-67174.176.700110R463 V466 L496 A499 Q503 E504 L505R463-M501 HydrophobicContact CG-SD 3.94Å; V466-M501 HydrophobicContact CB-SD 4.14Å; V466-M501 HydrophobicContact CG1-CE 4Å; V466-M501 HydrophobicContact CG1-SD 3.92Å; L496-M501 HydrophobicContact CD2-CB 4.1Å; L496-M501 PolarHBondContact O-N 2.78Å; L496-M501 VanDerWaalsContact O-N 3.15Å; A499-M501 VanDerWaalsContact C-N 3.3Å; A499-M501 HydrophobicContact CB-CG 3.9Å; A499-M501 HydrophobicContact CB-SD 3.92Å; M501-Q503 PolarHBondContact O-N 2.81Å; M501-E504 WeakPolarHBondContact CE-OE1 3.46Å; M501-E504 VanDerWaalsContact CE-OE2 3.22Å; M501-E504 WeakPolarHBondContact CE-OE2 3.42Å; M501-E504 PolarHBondContact O-N 3.37Å; M501-L505 PolarHBondContact O-N 3.18Å; M501-L505 VanDerWaalsContact O-N 3.07Å
502F85.8Confident87.5Confident75 Ų7537.6 Ų37.633%0.32919%0.185SC..Hα-helixtrans-64.3-36.3-168.4-54.5-52.4000113.3K500 E504 L505 Y506 I537K500-F502 VanDerWaalsContact C-N 3.29Å; K500-F502 HydrophobicContact CB-CE1 4.21Å; K500-F502 HydrophobicContact CB-CE2 3.94Å; K500-F502 HydrophobicContact CB-CZ 3.67Å; K500-F502 HydrophobicContact CG-CZ 3.94Å; K500-F502 PolarHBondContact O-N 2.82Å; K500-F502 VanDerWaalsContact O-N 3.16Å; F502-E504 VanDerWaalsContact C-N 3.35Å; F502-E504 PolarHBondContact O-N 3.1Å; F502-L505 WeakPolarHBondContact O-CB 3.39Å; F502-L505 PolarHBondContact O-N 2.87Å; F502-Y506 VanDerWaalsContact C-CD2 3.45Å; F502-Y506 HydrophobicContact CB-CD2 4.29Å; F502-Y506 HydrophobicContact CB-CE2 3.75Å; F502-Y506 WeakPolarHBondContact O-CB 3.43Å; F502-Y506 WeakPolarHBondContact O-CD2 3.49Å; F502-Y506 PolarHBondContact O-N 3.22Å; F502-I537 HydrophobicContact CD1-CG2 3.28Å; F502-I537 HydrophobicContact CE1-CD1 4.46Å; F502-I537 HydrophobicContact CE1-CG2 3.26Å; F502-I537 HydrophobicContact CG-CG2 4.22Å; F502-I537 HydrophobicContact CZ-CG2 4.17Å
503Q85.3Confident87.4Confident165 Ų16541 Ų4177%0.77120%0.203SC*.Hα-helixtrans-60.7-41.4178.5-70.3-175.3-13.300113.1M501 Y506 S507M501-Q503 PolarHBondContact O-N 2.81Å; Q503-Y506 PolarHBondContact O-N 2.94Å; Q503-S507 PolarHBondContact O-N 2.82Å
504E85.8Confident87.5Confident64 Ų6441.4 Ų41.430%0.29921%0.205SC..Hα-helixtrans-73.8-36.5176.3-69178.3-155.400111.8H470 L496 M501 F502 Y506 S507 L508H470-E504 IonicContact CD2-OE2 3.77Å; H470-E504 IonicContact CE1-OE2 3.97Å; H470-E504 IonicContact NE2-OE2 3.93Å; H470-E504 PolarHBondContact NE2-OE2 3.38Å; L496-E504 HydrophobicContact CD2-CB 3.82Å; M501-E504 WeakPolarHBondContact CE-OE1 3.46Å; M501-E504 VanDerWaalsContact CE-OE2 3.22Å; M501-E504 WeakPolarHBondContact CE-OE2 3.42Å; M501-E504 PolarHBondContact O-N 3.37Å; F502-E504 VanDerWaalsContact C-N 3.35Å; F502-E504 PolarHBondContact O-N 3.1Å; E504-Y506 VanDerWaalsContact C-N 3.3Å; E504-Y506 PolarHBondContact O-N 2.9Å; E504-S507 PolarHBondContact O-N 3.46Å; E504-S507 PolarHBondContact O-OG 3.41Å; E504-L508 WeakPolarHBondContact O-CB 3.34Å; E504-L508 PolarHBondContact O-N 2.85Å
505L87.4Confident87.4Confident1 Ų140.3 Ų40.31%0.00520%0.201CC..Hα-helixtrans-60.1-43.2172.2-174.365.5000111.1T493 L496 A497 M501 F502 L508 M509 L538T493-L505 HydrophobicContact CG2-CD1 4.23Å; L496-L505 HydrophobicContact CB-CB 4.24Å; L496-L505 HydrophobicContact CB-CD1 3.95Å; L496-L505 HydrophobicContact CD1-CD1 4.35Å; A497-L505 HydrophobicContact CB-CD2 4.2Å; M501-L505 PolarHBondContact O-N 3.18Å; M501-L505 VanDerWaalsContact O-N 3.07Å; F502-L505 WeakPolarHBondContact O-CB 3.39Å; F502-L505 PolarHBondContact O-N 2.87Å; L505-L508 PolarHBondContact O-N 2.82Å; L505-M509 HydrophobicContact CD1-CG 4.02Å; L505-M509 HydrophobicContact CD1-SD 3.64Å; L505-M509 HydrophobicContact CD2-SD 4.47Å; L505-M509 HydrophobicContact CG-CG 4.39Å; L505-M509 HydrophobicContact CG-SD 3.87Å; L505-M509 WeakPolarHBondContact O-CB 3.29Å; L505-M509 WeakPolarHBondContact O-CG 3.36Å; L505-M509 PolarHBondContact O-N 3.32Å; L505-L538 HydrophobicContact CD2-CD2 4.32Å; L505-L538 HydrophobicContact CG-CD2 4.38Å
506Y85.8Confident87.3Confident20 Ų2043.9 Ų43.98%0.07822%0.216CC..Hα-helixtrans-62.6-46.2175.6-67.6-53.8000112.1F502 Q503 E504 L508 F510 I537 L538 E541F502-Y506 VanDerWaalsContact C-CD2 3.45Å; F502-Y506 HydrophobicContact CB-CD2 4.29Å; F502-Y506 HydrophobicContact CB-CE2 3.75Å; F502-Y506 WeakPolarHBondContact O-CB 3.43Å; F502-Y506 WeakPolarHBondContact O-CD2 3.49Å; F502-Y506 PolarHBondContact O-N 3.22Å; Q503-Y506 PolarHBondContact O-N 2.94Å; E504-Y506 VanDerWaalsContact C-N 3.3Å; E504-Y506 PolarHBondContact O-N 2.9Å; Y506-L508 VanDerWaalsContact C-N 3.32Å; Y506-L508 PolarHBondContact O-N 3.19Å; Y506-F510 HydrophobicContact CD1-CD2 4.26Å; Y506-F510 AromaticContact CD1-CE2 3.49Å; Y506-F510 HydrophobicContact CD1-CE2 3.49Å; Y506-F510 VanDerWaalsContact CD1-CE2 3.49Å; Y506-F510 HydrophobicContact CD1-CZ 4.03Å; Y506-F510 HydrophobicContact CE1-CE2 4.26Å; Y506-F510 HydrophobicContact CG-CE2 4.24Å; Y506-F510 VanDerWaalsContact O-CB 3.27Å; Y506-F510 WeakPolarHBondContact O-CB 3.44Å; Y506-F510 WeakPolarHBondContact O-CD2 3.25Å; Y506-F510 WeakPolarHBondContact O-CG 3.29Å; Y506-F510 PolarHBondContact O-N 2.82Å; Y506-I537 PolarHBondContact OH-O 2.96Å; Y506-I537 VanDerWaalsContact OH-O 3.14Å; Y506-L538 HydrophobicContact CD1-CD2 3.5Å; Y506-L538 HydrophobicContact CE1-CB 4.16Å; Y506-L538 HydrophobicContact CE1-CD2 3.49Å; Y506-L538 VanDerWaalsContact CE1-CD2 3.49Å; Y506-L538 HydrophobicContact CE1-CG 4.4Å; Y506-E541 WeakPolarHBondContact CE2-OE2 3.49Å
507S86.9Confident87Confident84 Ų8446.2 Ų46.259%0.58723%0.228SC*.Hα-helixtrans-64.7-38.2-179.375.80000112Q503 E504 S511Q503-S507 PolarHBondContact O-N 2.82Å; E504-S507 PolarHBondContact O-N 3.46Å; E504-S507 PolarHBondContact O-OG 3.41Å; S507-S511 WeakPolarHBondContact O-CB 3.35Å
508L88.4Confident86.8Confident34 Ų3445.7 Ų45.718%0.17822%0.223CC..Hα-helixtrans-70.4-52.8177.7-173.769.2000111.5L492 T493 L496 E504 L505 Y506 S511 W514L492-L508 HydrophobicContact CD2-CD1 4.43Å; L492-L508 HydrophobicContact CD2-CD2 3.68Å; L492-L508 HydrophobicContact CG-CD2 3.91Å; T493-L508 HydrophobicContact CG2-CD2 4.07Å; L496-L508 HydrophobicContact CD1-CD2 3.69Å; E504-L508 WeakPolarHBondContact O-CB 3.34Å; E504-L508 PolarHBondContact O-N 2.85Å; L505-L508 PolarHBondContact O-N 2.82Å; Y506-L508 VanDerWaalsContact C-N 3.32Å; Y506-L508 PolarHBondContact O-N 3.19Å; L508-S511 WeakPolarHBondContact O-CB 3.25Å; L508-S511 PolarHBondContact O-N 3.02Å; L508-W514 HydrophobicContact CD1-CB 4.29Å; L508-W514 HydrophobicContact CD1-CD2 3.69Å; L508-W514 HydrophobicContact CD1-CE3 3.59Å; L508-W514 HydrophobicContact CD1-CG 4Å; L508-W514 HydrophobicContact CD1-CZ3 4.09Å; L508-W514 HydrophobicContact CD2-CD2 4.35Å; L508-W514 HydrophobicContact CD2-CH2 4.32Å; L508-W514 HydrophobicContact CD2-CZ2 4.12Å; L508-W514 HydrophobicContact CG-CD2 3.86Å; L508-W514 HydrophobicContact CG-CE3 4.23Å; L508-W514 HydrophobicContact CG-CG 4.02Å; L508-W514 WeakPolarHBondContact O-CB 3.47Å
509M85.8Confident86.3Confident2 Ų240.7 Ų40.71%0.0120%0.202CC..Hα-helixtrans-70-34.4-176.1-67.9-172.77200112.2T493 L505 S511 D530 Y531 Y534 L538T493-M509 HydrophobicContact CG2-CG 4.14Å; T493-M509 HydrophobicContact CG2-SD 4.46Å; L505-M509 HydrophobicContact CD1-CG 4.02Å; L505-M509 HydrophobicContact CD1-SD 3.64Å; L505-M509 HydrophobicContact CD2-SD 4.47Å; L505-M509 HydrophobicContact CG-CG 4.39Å; L505-M509 HydrophobicContact CG-SD 3.87Å; L505-M509 WeakPolarHBondContact O-CB 3.29Å; L505-M509 WeakPolarHBondContact O-CG 3.36Å; L505-M509 PolarHBondContact O-N 3.32Å; M509-S511 PolarHBondContact O-N 3.25Å; M509-D530 HydrophobicContact CE-CB 4.05Å; M509-Y531 HydrophobicContact CB-CE1 4.19Å; M509-Y531 HydrophobicContact CE-CD1 3.66Å; M509-Y531 HydrophobicContact CE-CD2 4.07Å; M509-Y531 HydrophobicContact CE-CE1 3.9Å; M509-Y531 HydrophobicContact CE-CE2 4.26Å; M509-Y531 HydrophobicContact CE-CG 3.76Å; M509-Y531 PolarHBondContact O-OH 3.47Å; M509-Y534 HydrophobicContact SD-CD2 4.33Å; M509-L538 HydrophobicContact CE-CD1 3.69Å; M509-L538 HydrophobicContact SD-CD1 3.84Å; M509-L538 HydrophobicContact SD-CD2 4.11Å
510F88.6Confident85.8Confident24 Ų2445.3 Ų45.311%0.10522%0.221CC..THydrogen-bonded Turntrans-88.319.7176.6-55-35.4000113.3Y506 Y531 L538 N542 V545 C546 F549 Q584Y506-F510 HydrophobicContact CD1-CD2 4.26Å; Y506-F510 AromaticContact CD1-CE2 3.49Å; Y506-F510 HydrophobicContact CD1-CE2 3.49Å; Y506-F510 VanDerWaalsContact CD1-CE2 3.49Å; Y506-F510 HydrophobicContact CD1-CZ 4.03Å; Y506-F510 HydrophobicContact CE1-CE2 4.26Å; Y506-F510 HydrophobicContact CG-CE2 4.24Å; Y506-F510 VanDerWaalsContact O-CB 3.27Å; Y506-F510 WeakPolarHBondContact O-CB 3.44Å; Y506-F510 WeakPolarHBondContact O-CD2 3.25Å; Y506-F510 WeakPolarHBondContact O-CG 3.29Å; Y506-F510 PolarHBondContact O-N 2.82Å; F510-Y531 HydrophobicContact CD1-CE1 4.32Å; F510-Y531 HydrophobicContact CE1-CE1 4.23Å; F510-L538 HydrophobicContact CZ-CD2 4.4Å; F510-N542 HydrophobicContact CE2-CB 4.07Å; F510-N542 HydrophobicContact CZ-CB 4.49Å; F510-V545 HydrophobicContact CD1-CG1 4.02Å; F510-V545 HydrophobicContact CD2-CG1 3.98Å; F510-V545 HydrophobicContact CE1-CG1 4.17Å; F510-V545 HydrophobicContact CE2-CB 4.46Å; F510-V545 HydrophobicContact CE2-CG1 4.1Å; F510-V545 HydrophobicContact CG-CG1 3.94Å; F510-V545 HydrophobicContact CZ-CB 4.47Å; F510-V545 HydrophobicContact CZ-CG1 4.21Å; F510-C546 HydrophobicContact CE1-CB 4.31Å; F510-C546 HydrophobicContact CZ-CB 4.18Å; F510-F549 HydrophobicContact CB-CE2 3.93Å; F510-F549 HydrophobicContact CB-CZ 4.21Å; F510-F549 AromaticContact CD1-CD2 3.77Å; F510-F549 HydrophobicContact CD1-CD2 3.77Å; F510-F549 HydrophobicContact CD1-CE2 4.06Å; F510-F549 HydrophobicContact CD1-CG 4.27Å; F510-F549 HydrophobicContact CE1-CD2 4.45Å; F510-F549 HydrophobicContact CG-CD2 4.44Å; F510-F549 HydrophobicContact CG-CE2 4.3Å; F510-F549 WeakPolarHBondContact O-CZ 3.17Å; F510-Q584 PolarHBondContact O-NE2 2.82Å; F510-Q584 PolarHBondContact O-OE1 3.44Å; F510-Q584 VanDerWaalsContact O-OE1 3.12Å
511S89.4Confident85.1Confident24 Ų2441.1 Ų41.117%0.16821%0.205CC..  trans-98122.3171.41780000112S507 L508 M509 D513 W514 V515S507-S511 WeakPolarHBondContact O-CB 3.35Å; L508-S511 WeakPolarHBondContact O-CB 3.25Å; L508-S511 PolarHBondContact O-N 3.02Å; M509-S511 PolarHBondContact O-N 3.25Å; S511-D513 PolarHBondContact O-N 2.93Å; S511-D513 VanDerWaalsContact O-N 3.17Å; S511-D513 PolarHBondContact OG-N 2.69Å; S511-W514 WeakPolarHBondContact O-CB 3.41Å; S511-W514 PolarHBondContact O-N 2.96Å; S511-W514 VanDerWaalsContact O-N 3.14Å; S511-V515 PolarHBondContact O-N 3.19Å; S511-V515 VanDerWaalsContact O-N 3.14Å
512L88.2Confident84.3Confident2 Ų240.2 Ų40.21%0.0120%0.201CC..Hα-helixtrans-59.2-24.1171.4-75.3168.7000113.9K516 F549 F552 V568 A572 V581 Q584 A585L512-K516 VanDerWaalsContact O-CB 3.26Å; L512-K516 WeakPolarHBondContact O-CB 3.46Å; L512-K516 PolarHBondContact O-N 3.26Å; L512-F549 HydrophobicContact CD2-CE1 4.26Å; L512-F552 HydrophobicContact CD2-CE1 4.2Å; L512-F552 HydrophobicContact CD2-CZ 4.48Å; L512-V568 HydrophobicContact CD2-CG1 3.96Å; L512-A572 HydrophobicContact CD1-CB 3.97Å; L512-A572 HydrophobicContact CD2-CB 3.99Å; L512-V581 HydrophobicContact CD2-CG1 4.27Å; L512-Q584 HydrophobicContact CD1-CB 4.16Å; L512-Q584 HydrophobicContact CD1-CG 4.23Å; L512-A585 HydrophobicContact CD1-CB 3.85Å
513D87.4Confident83.4Confident76 Ų7636.8 Ų36.841%0.40619%0.187SC..Hα-helixtrans-74.2-38.3177.3-61.9-32.7000111S511 K516 M517 K588S511-D513 PolarHBondContact O-N 2.93Å; S511-D513 VanDerWaalsContact O-N 3.17Å; S511-D513 PolarHBondContact OG-N 2.69Å; D513-K516 PolarHBondContact O-N 3.07Å; D513-M517 WeakPolarHBondContact O-CB 3.09Å; D513-M517 VanDerWaalsContact O-CG 3.27Å; D513-M517 WeakPolarHBondContact O-CG 3.28Å; D513-M517 PolarHBondContact O-N 3.38Å; D513-K588 IonicContact OD1-NZ 3.03Å; D513-K588 PolarHBondContact OD1-NZ 2.71Å; D513-K588 IonicContact OD2-NZ 3.98Å; D513-K588 PolarHBondContact OD2-NZ 3.14Å
514W87.2Confident82.6Confident8 Ų829 Ų293%0.0315%0.151CC..Hα-helixtrans-62.9-48.3173.5178.8-111.1000111.2I489 L492 T493 L508 S511 K516 M517 K518I489-W514 HydrophobicContact CB-CH2 4.49Å; I489-W514 HydrophobicContact CG2-CH2 4.37Å; L492-W514 HydrophobicContact CB-CH2 4.36Å; L492-W514 HydrophobicContact CD2-CH2 4.09Å; L492-W514 HydrophobicContact CD2-CZ3 4.27Å; T493-W514 HydrophobicContact CG2-CZ2 4.14Å; L508-W514 HydrophobicContact CD1-CB 4.29Å; L508-W514 HydrophobicContact CD1-CD2 3.69Å; L508-W514 HydrophobicContact CD1-CE3 3.59Å; L508-W514 HydrophobicContact CD1-CG 4Å; L508-W514 HydrophobicContact CD1-CZ3 4.09Å; L508-W514 HydrophobicContact CD2-CD2 4.35Å; L508-W514 HydrophobicContact CD2-CH2 4.32Å; L508-W514 HydrophobicContact CD2-CZ2 4.12Å; L508-W514 HydrophobicContact CG-CD2 3.86Å; L508-W514 HydrophobicContact CG-CE3 4.23Å; L508-W514 HydrophobicContact CG-CG 4.02Å; L508-W514 WeakPolarHBondContact O-CB 3.47Å; S511-W514 WeakPolarHBondContact O-CB 3.41Å; S511-W514 PolarHBondContact O-N 2.96Å; S511-W514 VanDerWaalsContact O-N 3.14Å; W514-K516 VanDerWaalsContact C-N 3.29Å; W514-K516 PolarHBondContact O-N 2.99Å; W514-M517 HydrophobicContact CE3-CE 4.16Å; W514-M517 PolarHBondContact O-N 2.64Å; W514-M517 VanDerWaalsContact O-N 3.15Å; W514-K518 HydrophobicContact CZ2-CD 3.97Å; W514-K518 WeakPolarHBondContact O-CB 3.34Å; W514-K518 PolarHBondContact O-N 2.96Å
515V86Confident81.6Confident0 Ų027.7 Ų27.70%015%0.151CC..Hα-helixtrans-53.9-48.3174.7169.30000110.6S511 M517 A519 L527 F549 F552 L553 V568S511-V515 PolarHBondContact O-N 3.19Å; S511-V515 VanDerWaalsContact O-N 3.14Å; V515-M517 PolarHBondContact O-N 3.14Å; V515-A519 WeakPolarHBondContact O-CB 3.41Å; V515-A519 PolarHBondContact O-N 3.18Å; V515-L527 HydrophobicContact CB-CD2 4.19Å; V515-L527 HydrophobicContact CG1-CD2 3.79Å; V515-L527 HydrophobicContact CG2-CD2 4.2Å; V515-F549 HydrophobicContact CG2-CD1 4.42Å; V515-F549 HydrophobicContact CG2-CE1 4.37Å; V515-F552 HydrophobicContact CG1-CE1 4.27Å; V515-L553 HydrophobicContact CG1-CD2 3.78Å; V515-V568 HydrophobicContact CG1-CG1 4.3Å
516K86.6Confident80.6Confident75 Ų7528.2 Ų28.233%0.32615%0.154SC..Hα-helixtrans-60.1-46.3177177.4177.6-179.9-178.50112.7L512 D513 W514 K520 F565 V568L512-K516 VanDerWaalsContact O-CB 3.26Å; L512-K516 WeakPolarHBondContact O-CB 3.46Å; L512-K516 PolarHBondContact O-N 3.26Å; D513-K516 PolarHBondContact O-N 3.07Å; W514-K516 VanDerWaalsContact C-N 3.29Å; W514-K516 PolarHBondContact O-N 2.99Å; K516-K520 WeakPolarHBondContact O-CB 3.47Å; K516-K520 PolarHBondContact O-N 3.38Å; K516-F565 HydrophobicContact CG-CE1 3.99Å; K516-V568 HydrophobicContact CB-CB 4.32Å; K516-V568 HydrophobicContact CB-CG2 3.85Å; K516-V568 HydrophobicContact CG-CG2 4.03Å
517M83.9Confident80Confident53 Ų5327.3 Ų27.326%0.26115%0.151SC..Hα-helixtrans-68-47.8-178.1-74.5-172.4-62.400112A477 D513 W514 V515 K520 V521A477-M517 HydrophobicContact CB-CE 3.44Å; A477-M517 VanDerWaalsContact CB-CE 3.44Å; A477-M517 HydrophobicContact CB-SD 3.25Å; A477-M517 WeakPolarHBondContact CB-SD 3.32Å; D513-M517 WeakPolarHBondContact O-CB 3.09Å; D513-M517 VanDerWaalsContact O-CG 3.27Å; D513-M517 WeakPolarHBondContact O-CG 3.28Å; D513-M517 PolarHBondContact O-N 3.38Å; W514-M517 HydrophobicContact CE3-CE 4.16Å; W514-M517 PolarHBondContact O-N 2.64Å; W514-M517 VanDerWaalsContact O-N 3.15Å; V515-M517 PolarHBondContact O-N 3.14Å; M517-K520 PolarHBondContact O-N 2.81Å; M517-V521 WeakPolarHBondContact O-CG2 3.38Å; M517-V521 PolarHBondContact O-N 3.01Å
518K81.6Confident79.2Confident1 Ų125 Ų250%0.00413%0.132CC..Hα-helixtrans-66.4-46-179.3-175.3155.3174.61660111.2I489 W514 K520 V521 M522 L527 D530I489-K518 HydrophobicContact CG2-CB 3.88Å; I489-K518 HydrophobicContact CG2-CD 4.2Å; I489-K518 HydrophobicContact CG2-CG 3.86Å; I489-K518 PolarHBondContact O-NZ 2.59Å; W514-K518 HydrophobicContact CZ2-CD 3.97Å; W514-K518 WeakPolarHBondContact O-CB 3.34Å; W514-K518 PolarHBondContact O-N 2.96Å; K518-K520 VanDerWaalsContact C-N 3.35Å; K518-K520 PolarHBondContact O-N 2.89Å; K518-V521 PolarHBondContact O-N 3.13Å; K518-M522 HydrophobicContact CD-CE 4.47Å; K518-M522 HydrophobicContact CG-CE 4.25Å; K518-M522 PolarHBondContact O-N 3.13Å; K518-L527 HydrophobicContact CB-CD1 4.34Å; K518-L527 HydrophobicContact CD-CD1 3.87Å; K518-L527 HydrophobicContact CG-CB 4.37Å; K518-L527 HydrophobicContact CG-CD1 4.17Å; K518-D530 IonicContact NZ-OD1 2.73Å; K518-D530 PolarHBondContact NZ-OD1 3.11Å; K518-D530 IonicContact NZ-OD2 2.62Å; K518-D530 PolarHBondContact NZ-OD2 3.44Å
519A77.4Confident78.4Confident1 Ų124.3 Ų24.31%0.00813%0.128CC..Hα-helixtrans-62.8-38.9176.300000112.5V515 V521 G523 L560 F565V515-A519 WeakPolarHBondContact O-CB 3.41Å; V515-A519 PolarHBondContact O-N 3.18Å; A519-V521 VanDerWaalsContact C-N 3.3Å; A519-V521 PolarHBondContact O-N 3.16Å; A519-G523 WeakPolarHBondContact O-CA 3.34Å; A519-G523 PolarHBondContact O-N 3.13Å; A519-L560 HydrophobicContact CB-CB 4.47Å; A519-L560 HydrophobicContact CB-CD1 4.49Å; A519-L560 HydrophobicContact CB-CD2 4.49Å; A519-F565 HydrophobicContact CB-CE2 4.18Å; A519-F565 HydrophobicContact CB-CZ 4.03Å
520K77.5Confident77.8Confident100 Ų10024.8 Ų24.844%0.43513%0.131SC..Hα-helixtrans-65.3-32178.4-174.8175.9178.7-179.70113K516 M517 K518 R563 F565K516-K520 WeakPolarHBondContact O-CB 3.47Å; K516-K520 PolarHBondContact O-N 3.38Å; M517-K520 PolarHBondContact O-N 2.81Å; K518-K520 VanDerWaalsContact C-N 3.35Å; K518-K520 PolarHBondContact O-N 2.89Å; K520-R563 PolarHBondContact O-NH2 3.04Å; K520-F565 HydrophobicContact CB-CD2 4.25Å; K520-F565 HydrophobicContact CB-CE1 4.33Å; K520-F565 HydrophobicContact CB-CE2 3.99Å; K520-F565 HydrophobicContact CB-CZ 4.03Å; K520-F565 HydrophobicContact CG-CD2 4.41Å; K520-F565 HydrophobicContact CG-CG 4.42Å
521V75.1Confident77.2Confident30 Ų3023.7 Ų23.718%0.18213%0.126CC..Hα-helixtrans-92.3-46.3-175.4176.60000112.3L486 I489 M517 K518 A519L486-V521 HydrophobicContact CD2-CG1 3.65Å; I489-V521 HydrophobicContact CD1-CB 4.32Å; I489-V521 HydrophobicContact CD1-CG1 4.32Å; I489-V521 HydrophobicContact CD1-CG2 3.97Å; M517-V521 WeakPolarHBondContact O-CG2 3.38Å; M517-V521 PolarHBondContact O-N 3.01Å; K518-V521 PolarHBondContact O-N 3.13Å; A519-V521 VanDerWaalsContact C-N 3.3Å; A519-V521 PolarHBondContact O-N 3.16Å
522M69.9Low76.2Confident5 Ų524.3 Ų24.33%0.02513%0.127CC..Hα-helixtrans-112.6-11.2-173.4-74.8-169.8-92.300114.5Q203 I489 R490 K518 P526Q203-M522 PolarHBondContact NE2-O 3.18Å; I489-M522 VanDerWaalsContact C-CE 3.42Å; I489-M522 HydrophobicContact CB-CE 3.74Å; I489-M522 HydrophobicContact CG2-CE 3.3Å; I489-M522 WeakPolarHBondContact O-CE 3.25Å; R490-M522 HydrophobicContact CB-CE 3.89Å; R490-M522 HydrophobicContact CB-SD 4.13Å; R490-M522 HydrophobicContact CG-SD 4.43Å; K518-M522 HydrophobicContact CD-CE 4.47Å; K518-M522 HydrophobicContact CG-CE 4.25Å; K518-M522 PolarHBondContact O-N 3.13Å; M522-P526 HydrophobicContact CB-CG 4.25Å
523G67.6Low75.5Confident4 Ų428.9 Ų28.94%0.04115%0.148CC..  trans88.6175.9-170.900000113.3A519A519-G523 WeakPolarHBondContact O-CA 3.34Å; A519-G523 PolarHBondContact O-N 3.13Å
524P68.4Low75.1Confident1 Ų125.9 Ų25.91%0.00613%0.131CC..Hα-helixtrans-77.2-27.5-176.831.3-35.9000113.4L527 I528 L560 E561P524-L527 WeakPolarHBondContact O-CB 3.18Å; P524-L527 PolarHBondContact O-N 2.97Å; P524-L527 VanDerWaalsContact O-N 3.09Å; P524-I528 HydrophobicContact CB-CD1 4.37Å; P524-I528 WeakPolarHBondContact O-CG1 3.44Å; P524-I528 PolarHBondContact O-N 3.43Å; P524-L560 HydrophobicContact CB-CB 4.3Å; P524-L560 HydrophobicContact CB-CD1 4.38Å; P524-L560 HydrophobicContact CG-CB 4.48Å; P524-E561 HydrophobicContact CG-CG 3.57Å; P524-E561 WeakPolarHBondContact CG-OE1 3.35Å
525A63.9Low74.2Confident37 Ų3725.7 Ų25.731%0.30613%0.132SC..Hα-helixtrans-60.4-48.4-173.100000114L199 L527 I528 N529L199-A525 HydrophobicContact CD2-CB 4.36Å; A525-L527 VanDerWaalsContact C-N 3.27Å; A525-L527 PolarHBondContact O-N 2.97Å; A525-I528 PolarHBondContact O-N 3.29Å; A525-N529 PolarHBondContact O-N 3.35Å
526P67.2Low73.7Confident11 Ų1129.8 Ų29.87%0.07116%0.158CC..Hα-helixtrans-64.2-32.5174.3-2436.6000112.8V200 M522 N529 D530V200-P526 HydrophobicContact CG2-CG 4.42Å; M522-P526 HydrophobicContact CB-CG 4.25Å; P526-N529 WeakPolarHBondContact O-CB 3.48Å; P526-N529 PolarHBondContact O-N 3.06Å; P526-D530 PolarHBondContact O-N 3.08Å; P526-D530 VanDerWaalsContact O-N 3.1Å
527L73.9Confident73.4Confident1 Ų128.5 Ų28.51%0.00515%0.154CC..Hα-helixtrans-67-45.2177.2-178.167.4000111.3V515 K518 P524 A525 N529 D530 Y531 L553V515-L527 HydrophobicContact CB-CD2 4.19Å; V515-L527 HydrophobicContact CG1-CD2 3.79Å; V515-L527 HydrophobicContact CG2-CD2 4.2Å; K518-L527 HydrophobicContact CB-CD1 4.34Å; K518-L527 HydrophobicContact CD-CD1 3.87Å; K518-L527 HydrophobicContact CG-CB 4.37Å; K518-L527 HydrophobicContact CG-CD1 4.17Å; P524-L527 WeakPolarHBondContact O-CB 3.18Å; P524-L527 PolarHBondContact O-N 2.97Å; P524-L527 VanDerWaalsContact O-N 3.09Å; A525-L527 VanDerWaalsContact C-N 3.27Å; A525-L527 PolarHBondContact O-N 2.97Å; L527-N529 VanDerWaalsContact C-N 3.26Å; L527-N529 PolarHBondContact O-N 3.16Å; L527-D530 WeakPolarHBondContact O-CB 3.4Å; L527-D530 PolarHBondContact O-N 3.44Å; L527-Y531 HydrophobicContact CD1-CD2 4.5Å; L527-Y531 HydrophobicContact CD1-CE2 3.81Å; L527-Y531 HydrophobicContact CG-CD2 4.42Å; L527-Y531 HydrophobicContact CG-CE2 3.93Å; L527-Y531 WeakPolarHBondContact O-CD2 3.48Å; L527-Y531 PolarHBondContact O-N 3.14Å; L527-L553 HydrophobicContact CD2-CD1 3.86Å; L527-L553 HydrophobicContact CD2-CD2 3.6Å; L527-L553 HydrophobicContact CD2-CG 4.41Å; L527-L553 HydrophobicContact CG-CD1 3.87Å; L527-L553 HydrophobicContact CG-CD2 4.47Å
528I69.7Low72.9Confident36 Ų3626 Ų2619%0.18514%0.142CC..Hα-helixtrans-59.6-41.1175.2-66.8164.7000110.1P524 A525 D530 Y531 M532 L553P524-I528 HydrophobicContact CB-CD1 4.37Å; P524-I528 WeakPolarHBondContact O-CG1 3.44Å; P524-I528 PolarHBondContact O-N 3.43Å; A525-I528 PolarHBondContact O-N 3.29Å; I528-D530 PolarHBondContact O-N 3.45Å; I528-Y531 PolarHBondContact O-N 3.32Å; I528-M532 HydrophobicContact CG2-CG 4.47Å; I528-M532 WeakPolarHBondContact O-CG 3.4Å; I528-M532 PolarHBondContact O-N 2.85Å; I528-M532 VanDerWaalsContact O-N 3.14Å; I528-L553 HydrophobicContact CG1-CB 4.01Å
529N70.4Confident72.1Confident20 Ų2029 Ų2911%0.10716%0.158CC..Hα-helixtrans-58.9-44.3176.7-166.347.4000112.2S196 A525 P526 L527 Y531 M532 E533 L620S196-N529 PolarHBondContact OG-ND2 3.06Å; A525-N529 PolarHBondContact O-N 3.35Å; P526-N529 WeakPolarHBondContact O-CB 3.48Å; P526-N529 PolarHBondContact O-N 3.06Å; L527-N529 VanDerWaalsContact C-N 3.26Å; L527-N529 PolarHBondContact O-N 3.16Å; N529-Y531 VanDerWaalsContact C-N 3.34Å; N529-Y531 PolarHBondContact O-N 3.14Å; N529-M532 PolarHBondContact O-N 2.79Å; N529-M532 VanDerWaalsContact O-N 3.08Å; N529-E533 WeakPolarHBondContact O-CB 3.47Å; N529-E533 PolarHBondContact O-N 3.34Å; N529-L620 WeakPolarHBondContact OD1-CD2 3.44Å
530D73.7Confident71.8Confident11 Ų1137.3 Ų37.36%0.05919%0.194CC..Hα-helixtrans-56.4-44176.2-77.335.6000112.4T493 M509 K518 P526 L527 I528 M532 Y534T493-D530 WeakPolarHBondContact CB-OD2 3.35Å; T493-D530 WeakPolarHBondContact CG2-OD2 3.48Å; T493-D530 PolarHBondContact OG1-OD2 3.3Å; M509-D530 HydrophobicContact CE-CB 4.05Å; K518-D530 IonicContact NZ-OD1 2.73Å; K518-D530 PolarHBondContact NZ-OD1 3.11Å; K518-D530 IonicContact NZ-OD2 2.62Å; K518-D530 PolarHBondContact NZ-OD2 3.44Å; P526-D530 PolarHBondContact O-N 3.08Å; P526-D530 VanDerWaalsContact O-N 3.1Å; L527-D530 WeakPolarHBondContact O-CB 3.4Å; L527-D530 PolarHBondContact O-N 3.44Å; I528-D530 PolarHBondContact O-N 3.45Å; D530-M532 VanDerWaalsContact C-N 3.27Å; D530-M532 PolarHBondContact O-N 3.28Å; D530-Y534 HydrophobicContact CB-CD2 4.35Å; D530-Y534 HydrophobicContact CB-CE2 4.43Å; D530-Y534 WeakPolarHBondContact O-CB 3.44Å; D530-Y534 WeakPolarHBondContact O-CD2 3.43Å; D530-Y534 PolarHBondContact O-N 2.74Å
531Y75.6Confident71.2Confident1 Ų139 Ų390%0.00420%0.203CC..Hα-helixtrans-69-26.9178.6-73.3-89.2000112.8M509 F510 L527 I528 N529 G535 L538 F549 Q550 L553M509-Y531 HydrophobicContact CB-CE1 4.19Å; M509-Y531 HydrophobicContact CE-CD1 3.66Å; M509-Y531 HydrophobicContact CE-CD2 4.07Å; M509-Y531 HydrophobicContact CE-CE1 3.9Å; M509-Y531 HydrophobicContact CE-CE2 4.26Å; M509-Y531 HydrophobicContact CE-CG 3.76Å; M509-Y531 PolarHBondContact O-OH 3.47Å; F510-Y531 HydrophobicContact CD1-CE1 4.32Å; F510-Y531 HydrophobicContact CE1-CE1 4.23Å; L527-Y531 HydrophobicContact CD1-CD2 4.5Å; L527-Y531 HydrophobicContact CD1-CE2 3.81Å; L527-Y531 HydrophobicContact CG-CD2 4.42Å; L527-Y531 HydrophobicContact CG-CE2 3.93Å; L527-Y531 WeakPolarHBondContact O-CD2 3.48Å; L527-Y531 PolarHBondContact O-N 3.14Å; I528-Y531 PolarHBondContact O-N 3.32Å; N529-Y531 VanDerWaalsContact C-N 3.34Å; N529-Y531 PolarHBondContact O-N 3.14Å; Y531-G535 WeakPolarHBondContact O-CA 3.31Å; Y531-G535 PolarHBondContact O-N 3.17Å; Y531-L538 HydrophobicContact CD1-CD1 4.31Å; Y531-F549 HydrophobicContact CE1-CB 3.87Å; Y531-F549 HydrophobicContact CE1-CG 4.44Å; Y531-Q550 HydrophobicContact CG-CG 4.41Å; Y531-Q550 PolarHBondContact O-NE2 3.12Å; Y531-L553 HydrophobicContact CD2-CD1 3.51Å; Y531-L553 HydrophobicContact CE2-CD1 3.26Å; Y531-L553 HydrophobicContact CG-CD1 4.49Å
532M69.4Low71Confident38 Ų3840.7 Ų40.719%0.18721%0.211CC..Hα-helixtrans-79.8-46.2177.2-68.5-62.5141.100111.5I528 N529 D530 G535 Q550 H617 L620I528-M532 HydrophobicContact CG2-CG 4.47Å; I528-M532 WeakPolarHBondContact O-CG 3.4Å; I528-M532 PolarHBondContact O-N 2.85Å; I528-M532 VanDerWaalsContact O-N 3.14Å; N529-M532 PolarHBondContact O-N 2.79Å; N529-M532 VanDerWaalsContact O-N 3.08Å; D530-M532 VanDerWaalsContact C-N 3.27Å; D530-M532 PolarHBondContact O-N 3.28Å; M532-G535 PolarHBondContact O-N 3.12Å; M532-Q550 HydrophobicContact CE-CB 4.2Å; M532-Q550 HydrophobicContact CE-CG 3.73Å; M532-H617 HydrophobicContact CE-CB 3.45Å; M532-H617 VanDerWaalsContact CE-CB 3.45Å; M532-H617 HydrophobicContact SD-CB 3.81Å; M532-L620 HydrophobicContact CB-CD2 3.71Å; M532-L620 HydrophobicContact CG-CD2 4.08Å
533E72.8Confident71Confident98 Ų9843.4 Ų43.446%0.45823%0.231SC..Hα-helixtrans-62.7-46.1178.7-170.6-170.2152.400111N529N529-E533 WeakPolarHBondContact O-CB 3.47Å; N529-E533 PolarHBondContact O-N 3.34Å
534Y78.6Confident71.3Confident13 Ų1350 Ų505%0.05126%0.26CS..SBendtrans-90.40.2-179.8-52.7-47.1000113.5Y494 A497 M509 D530 I537 L538Y494-Y534 WeakPolarHBondContact CA-OH 3.27Å; A497-Y534 HydrophobicContact CB-CD1 3.73Å; A497-Y534 HydrophobicContact CB-CE1 3.63Å; A497-Y534 HydrophobicContact CB-CG 4.36Å; M509-Y534 HydrophobicContact SD-CD2 4.33Å; D530-Y534 HydrophobicContact CB-CD2 4.35Å; D530-Y534 HydrophobicContact CB-CE2 4.43Å; D530-Y534 WeakPolarHBondContact O-CB 3.44Å; D530-Y534 WeakPolarHBondContact O-CD2 3.43Å; D530-Y534 PolarHBondContact O-N 2.74Å; Y534-I537 HydrophobicContact CD1-CD1 4.38Å; Y534-I537 WeakPolarHBondContact O-CA 3.25Å; Y534-I537 WeakPolarHBondContact O-CB 3.25Å; Y534-I537 PolarHBondContact O-N 3.41Å; Y534-L538 VanDerWaalsContact O-CG 3.3Å; Y534-L538 WeakPolarHBondContact O-CG 3.44Å; Y534-L538 PolarHBondContact O-N 3.49Å
535G69.8Low71.9Confident4 Ų451.5 Ų51.54%0.04127%0.269CS..Hα-helixtrans-47.5-51.5178.200000114Y531 M532 I537 L538 D539Y531-G535 WeakPolarHBondContact O-CA 3.31Å; Y531-G535 PolarHBondContact O-N 3.17Å; M532-G535 PolarHBondContact O-N 3.12Å; G535-I537 PolarHBondContact O-N 3.49Å; G535-I537 VanDerWaalsContact O-N 3.11Å; G535-L538 PolarHBondContact O-N 3.25Å; G535-D539 WeakPolarHBondContact O-CB 3.49Å; G535-D539 VanDerWaalsContact O-CG 3.24Å; G535-D539 PolarHBondContact O-N 3.13Å
536P74.8Confident72.6Confident85 Ų8549.7 Ų49.755%0.55226%0.255SS*.Hα-helixtrans-62.1-22.9178.9-23.633.9000114.9
537I79.7Confident72.8Confident48 Ų4851.8 Ų51.825%0.24627%0.27CS..Hα-helixtrans-81.5-45.6173.8-62.8173000108.9F502 Y506 Y534 G535F502-I537 HydrophobicContact CD1-CG2 3.28Å; F502-I537 HydrophobicContact CE1-CD1 4.46Å; F502-I537 HydrophobicContact CE1-CG2 3.26Å; F502-I537 HydrophobicContact CG-CG2 4.22Å; F502-I537 HydrophobicContact CZ-CG2 4.17Å; Y506-I537 PolarHBondContact OH-O 2.96Å; Y506-I537 VanDerWaalsContact OH-O 3.14Å; Y534-I537 HydrophobicContact CD1-CD1 4.38Å; Y534-I537 WeakPolarHBondContact O-CA 3.25Å; Y534-I537 WeakPolarHBondContact O-CB 3.25Å; Y534-I537 PolarHBondContact O-N 3.41Å; G535-I537 PolarHBondContact O-N 3.49Å; G535-I537 VanDerWaalsContact O-N 3.11Å
538L73.1Confident73Confident0 Ų052.9 Ų52.90%028%0.275CS..Hα-helixtrans-69.6-32.5-175.4-63.9167.8000113.3L505 Y506 M509 F510 Y531 Y534 G535 K540 N542 C546L505-L538 HydrophobicContact CD2-CD2 4.32Å; L505-L538 HydrophobicContact CG-CD2 4.38Å; Y506-L538 HydrophobicContact CD1-CD2 3.5Å; Y506-L538 HydrophobicContact CE1-CB 4.16Å; Y506-L538 HydrophobicContact CE1-CD2 3.49Å; Y506-L538 VanDerWaalsContact CE1-CD2 3.49Å; Y506-L538 HydrophobicContact CE1-CG 4.4Å; M509-L538 HydrophobicContact CE-CD1 3.69Å; M509-L538 HydrophobicContact SD-CD1 3.84Å; M509-L538 HydrophobicContact SD-CD2 4.11Å; F510-L538 HydrophobicContact CZ-CD2 4.4Å; Y531-L538 HydrophobicContact CD1-CD1 4.31Å; Y534-L538 VanDerWaalsContact O-CG 3.3Å; Y534-L538 WeakPolarHBondContact O-CG 3.44Å; Y534-L538 PolarHBondContact O-N 3.49Å; G535-L538 PolarHBondContact O-N 3.25Å; L538-K540 VanDerWaalsContact C-N 3.27Å; L538-K540 PolarHBondContact O-N 3.2Å; L538-N542 PolarHBondContact O-N 2.74Å; L538-C546 HydrophobicContact CB-CB 4.39Å
539D66.6Low73.5Confident65 Ų6551.3 Ų51.335%0.34827%0.267SS..Hα-helixtrans-71.9-16.2-176-76.3-34.1000113.9G535 E541 S543G535-D539 WeakPolarHBondContact O-CB 3.49Å; G535-D539 VanDerWaalsContact O-CG 3.24Å; G535-D539 PolarHBondContact O-N 3.13Å; D539-E541 PolarHBondContact O-N 3.04Å; D539-S543 WeakPolarHBondContact O-CB 3.43Å; D539-S543 WeakPolarHBondContact OD1-CA 3.48Å; D539-S543 PolarHBondContact OD1-OG 3.46Å; D539-S543 VanDerWaalsContact OD1-OG 3.08Å
540K71.1Confident73.6Confident176 Ų17651.6 Ų51.677%0.76527%0.267SS*.Hα-helixtrans-67-33.4-175.8-72.6-177.9-179.5177.70114L538L538-K540 VanDerWaalsContact C-N 3.27Å; L538-K540 PolarHBondContact O-N 3.2Å
541E64.3Low73.5Confident135 Ų13552.8 Ų52.863%0.63127%0.273SS*.Hα-helixtrans-115.3-34.7-177.6-67.6-175.8166.900112.6Y506 D539Y506-E541 WeakPolarHBondContact CE2-OE2 3.49Å; D539-E541 PolarHBondContact O-N 3.04Å
542N70.1Confident73.7Confident66 Ų6652.8 Ų52.835%0.35327%0.272SS..Hα-helixtrans-13544.8-170.9-70.3-50.6000113F510 L538 E544 V545 C546F510-N542 HydrophobicContact CE2-CB 4.07Å; F510-N542 HydrophobicContact CZ-CB 4.49Å; L538-N542 PolarHBondContact O-N 2.74Å; N542-E544 PolarHBondContact O-N 3.05Å; N542-V545 HydrophobicContact CB-CB 4.27Å; N542-V545 HydrophobicContact CB-CG2 4.45Å; N542-V545 PolarHBondContact O-N 3.08Å; N542-V545 VanDerWaalsContact O-N 3.09Å; N542-C546 PolarHBondContact O-N 3.13Å
543S71Confident73.9Confident61 Ų6151 Ų5143%0.42726%0.264SS..Hα-helixtrans-54.2-37.3-178-172.90000113.6D539 C546 S547D539-S543 WeakPolarHBondContact O-CB 3.43Å; D539-S543 WeakPolarHBondContact OD1-CA 3.48Å; D539-S543 PolarHBondContact OD1-OG 3.46Å; D539-S543 VanDerWaalsContact OD1-OG 3.08Å; S543-C546 PolarHBondContact O-N 2.91Å; S543-S547 WeakPolarHBondContact O-CB 3.48Å; S543-S547 PolarHBondContact O-N 2.69Å
544E74.4Confident73.5Confident142 Ų14247.2 Ų47.266%0.66425%0.248SC*.Hα-helixtrans-65.7-42.3178.8-161.9-174.6162.100112.3N542 Q548N542-E544 PolarHBondContact O-N 3.05Å; E544-Q548 WeakPolarHBondContact O-CG 3.34Å; E544-Q548 PolarHBondContact O-N 2.88Å; E544-Q548 PolarHBondContact OE1-NE2 3Å
545V80Confident73Confident33 Ų3348.4 Ų48.420%0.226%0.255CS..Hα-helixtrans-69.2-40.9178.6-179.90000110.7F510 N542 Q548 F549 A580F510-V545 HydrophobicContact CD1-CG1 4.02Å; F510-V545 HydrophobicContact CD2-CG1 3.98Å; F510-V545 HydrophobicContact CE1-CG1 4.17Å; F510-V545 HydrophobicContact CE2-CB 4.46Å; F510-V545 HydrophobicContact CE2-CG1 4.1Å; F510-V545 HydrophobicContact CG-CG1 3.94Å; F510-V545 HydrophobicContact CZ-CB 4.47Å; F510-V545 HydrophobicContact CZ-CG1 4.21Å; N542-V545 HydrophobicContact CB-CB 4.27Å; N542-V545 HydrophobicContact CB-CG2 4.45Å; N542-V545 PolarHBondContact O-N 3.08Å; N542-V545 VanDerWaalsContact O-N 3.09Å; V545-Q548 PolarHBondContact O-N 2.69Å; V545-F549 HydrophobicContact CG1-CD2 3.9Å; V545-F549 HydrophobicContact CG1-CE2 3.97Å; V545-F549 WeakPolarHBondContact O-CD2 3.47Å; V545-F549 PolarHBondContact O-N 3.05Å; V545-A580 HydrophobicContact CG1-CB 3.91Å; V545-A580 HydrophobicContact CG2-CB 4.08Å
546C78Confident73.1Confident0 Ų048.8 Ų48.80%026%0.256CS..Hα-helixtrans-58.2-50176.1-169.40000111.1F510 L538 N542 S543 Q548 F549 Q550F510-C546 HydrophobicContact CE1-CB 4.31Å; F510-C546 HydrophobicContact CZ-CB 4.18Å; L538-C546 HydrophobicContact CB-CB 4.39Å; N542-C546 PolarHBondContact O-N 3.13Å; S543-C546 PolarHBondContact O-N 2.91Å; C546-Q548 VanDerWaalsContact C-N 3.32Å; C546-Q548 PolarHBondContact O-N 3.19Å; C546-F549 PolarHBondContact O-N 3.37Å; C546-Q550 WeakPolarHBondContact O-CG 3.41Å; C546-Q550 PolarHBondContact O-N 2.92Å
547S71.3Confident72.5Confident55 Ų5545.1 Ų45.139%0.38523%0.234SC..Hα-helixtrans-58.9-41.4176.6-177.50000112.3S543 F549 Q550 E551S543-S547 WeakPolarHBondContact O-CB 3.48Å; S543-S547 PolarHBondContact O-N 2.69Å; S547-F549 PolarHBondContact O-N 3.11Å; S547-Q550 PolarHBondContact O-N 2.85Å; S547-E551 WeakPolarHBondContact O-CB 3.07Å; S547-E551 PolarHBondContact O-N 3.4Å
548Q78.3Confident71.8Confident24 Ų2446.9 Ų46.911%0.11224%0.241CC..Hα-helixtrans-63.6-39.1176.7-72.1166.910.100113.2E544 V545 C546 F552 S579 V581E544-Q548 WeakPolarHBondContact O-CG 3.34Å; E544-Q548 PolarHBondContact O-N 2.88Å; E544-Q548 PolarHBondContact OE1-NE2 3Å; V545-Q548 PolarHBondContact O-N 2.69Å; C546-Q548 VanDerWaalsContact C-N 3.32Å; C546-Q548 PolarHBondContact O-N 3.19Å; Q548-F552 VanDerWaalsContact O-CB 3.31Å; Q548-F552 WeakPolarHBondContact O-CB 3.42Å; Q548-F552 PolarHBondContact O-N 2.92Å; Q548-S579 PolarHBondContact OE1-OG 3.42Å; Q548-V581 HydrophobicContact CB-CG2 4.44Å
549F80.7Confident71.5Confident3 Ų347.6 Ų47.61%0.01324%0.244CC..Hα-helixtrans-71.6-37.5174.8-89.9-90000112.1F510 L512 V515 Y531 V545 C546 S547 F552 L553 V581F510-F549 HydrophobicContact CB-CE2 3.93Å; F510-F549 HydrophobicContact CB-CZ 4.21Å; F510-F549 AromaticContact CD1-CD2 3.77Å; F510-F549 HydrophobicContact CD1-CD2 3.77Å; F510-F549 HydrophobicContact CD1-CE2 4.06Å; F510-F549 HydrophobicContact CD1-CG 4.27Å; F510-F549 HydrophobicContact CE1-CD2 4.45Å; F510-F549 HydrophobicContact CG-CD2 4.44Å; F510-F549 HydrophobicContact CG-CE2 4.3Å; F510-F549 WeakPolarHBondContact O-CZ 3.17Å; L512-F549 HydrophobicContact CD2-CE1 4.26Å; V515-F549 HydrophobicContact CG2-CD1 4.42Å; V515-F549 HydrophobicContact CG2-CE1 4.37Å; Y531-F549 HydrophobicContact CE1-CB 3.87Å; Y531-F549 HydrophobicContact CE1-CG 4.44Å; V545-F549 HydrophobicContact CG1-CD2 3.9Å; V545-F549 HydrophobicContact CG1-CE2 3.97Å; V545-F549 WeakPolarHBondContact O-CD2 3.47Å; V545-F549 PolarHBondContact O-N 3.05Å; C546-F549 PolarHBondContact O-N 3.37Å; S547-F549 PolarHBondContact O-N 3.11Å; F549-F552 PolarHBondContact O-N 3.11Å; F549-L553 WeakPolarHBondContact O-CB 3.22Å; F549-L553 VanDerWaalsContact O-CG 3.31Å; F549-L553 WeakPolarHBondContact O-CG 3.35Å; F549-L553 PolarHBondContact O-N 2.82Å; F549-V581 HydrophobicContact CD1-CG2 3.99Å; F549-V581 HydrophobicContact CD2-CG2 3.61Å; F549-V581 HydrophobicContact CE1-CG2 4.02Å; F549-V581 HydrophobicContact CE2-CG2 3.65Å; F549-V581 HydrophobicContact CG-CG2 3.79Å; F549-V581 HydrophobicContact CZ-CG2 3.86Å
550Q72.5Confident71.6Confident26 Ų2644.6 Ų44.612%0.12123%0.228CC..Hα-helixtrans-62.4-46.2173.8-71.4175.1-3.700111.4Y531 M532 C546 S547 F552 L553 S554Y531-Q550 HydrophobicContact CG-CG 4.41Å; Y531-Q550 PolarHBondContact O-NE2 3.12Å; M532-Q550 HydrophobicContact CE-CB 4.2Å; M532-Q550 HydrophobicContact CE-CG 3.73Å; C546-Q550 WeakPolarHBondContact O-CG 3.41Å; C546-Q550 PolarHBondContact O-N 2.92Å; S547-Q550 PolarHBondContact O-N 2.85Å; Q550-F552 VanDerWaalsContact C-N 3.34Å; Q550-F552 PolarHBondContact O-N 3.39Å; Q550-L553 PolarHBondContact O-N 2.77Å; Q550-S554 PolarHBondContact O-N 2.83Å; Q550-S554 PolarHBondContact O-OG 3.01Å
551E72.6Confident71.1Confident36 Ų3638.6 Ų38.617%0.16820%0.203CC..Hα-helixtrans-62-41.9174.5-172.1-179.3-171.500111.2S547 L553 S554 L555 N610S547-E551 WeakPolarHBondContact O-CB 3.07Å; S547-E551 PolarHBondContact O-N 3.4Å; E551-L553 PolarHBondContact O-N 3.14Å; E551-S554 WeakPolarHBondContact CA-OG 3.38Å; E551-S554 PolarHBondContact O-N 3.48Å; E551-S554 PolarHBondContact O-OG 3.03Å; E551-S554 VanDerWaalsContact O-OG 3.08Å; E551-L555 HydrophobicContact CG-CD1 3.88Å; E551-L555 HydrophobicContact CG-CG 4.24Å; E551-L555 VanDerWaalsContact O-CB 3.26Å; E551-L555 WeakPolarHBondContact O-CB 3.39Å; E551-L555 WeakPolarHBondContact O-CG 3.42Å; E551-L555 PolarHBondContact O-N 3.46Å; E551-N610 PolarHBondContact OE1-ND2 3.23Å
552F78.1Confident71Confident0 Ų035.2 Ų35.20%019%0.187CC..Hα-helixtrans-59.5-45.1175.6170.4-107.7000112.4L512 V515 Q548 F549 Q550 N556 V568 L571 A572 Q575 V581L512-F552 HydrophobicContact CD2-CE1 4.2Å; L512-F552 HydrophobicContact CD2-CZ 4.48Å; V515-F552 HydrophobicContact CG1-CE1 4.27Å; Q548-F552 VanDerWaalsContact O-CB 3.31Å; Q548-F552 WeakPolarHBondContact O-CB 3.42Å; Q548-F552 PolarHBondContact O-N 2.92Å; F549-F552 PolarHBondContact O-N 3.11Å; Q550-F552 VanDerWaalsContact C-N 3.34Å; Q550-F552 PolarHBondContact O-N 3.39Å; F552-N556 WeakPolarHBondContact CD2-ND2 3.47Å; F552-N556 VanDerWaalsContact CE2-ND2 3.27Å; F552-N556 WeakPolarHBondContact CE2-ND2 3.27Å; F552-N556 WeakPolarHBondContact O-CB 3.26Å; F552-N556 PolarHBondContact O-N 3.3Å; F552-N556 VanDerWaalsContact O-N 3.09Å; F552-N556 PolarHBondContact O-ND2 3.45Å; F552-V568 HydrophobicContact CE1-CG1 4.21Å; F552-V568 HydrophobicContact CZ-CG1 3.97Å; F552-L571 HydrophobicContact CE2-CB 3.98Å; F552-L571 HydrophobicContact CZ-CB 4.21Å; F552-A572 HydrophobicContact CE2-CB 4.03Å; F552-A572 HydrophobicContact CZ-CB 4.19Å; F552-Q575 HydrophobicContact CD2-CG 3.74Å; F552-Q575 HydrophobicContact CE2-CG 4.45Å; F552-V581 HydrophobicContact CB-CG1 4.32Å; F552-V581 HydrophobicContact CB-CG2 4.3Å; F552-V581 HydrophobicContact CD1-CG1 4.33Å; F552-V581 HydrophobicContact CD2-CG1 3.95Å; F552-V581 HydrophobicContact CE2-CG1 4.37Å; F552-V581 HydrophobicContact CG-CG1 3.92Å
553L73.5Confident70.5Confident1 Ų136.1 Ų36.11%0.00519%0.186CC..Hα-helixtrans-73-35.9-178.8-71.3175.1000112.8V515 L527 I528 Y531 F549 Q550 E551 G557 L560V515-L553 HydrophobicContact CG1-CD2 3.78Å; L527-L553 HydrophobicContact CD2-CD1 3.86Å; L527-L553 HydrophobicContact CD2-CD2 3.6Å; L527-L553 HydrophobicContact CD2-CG 4.41Å; L527-L553 HydrophobicContact CG-CD1 3.87Å; L527-L553 HydrophobicContact CG-CD2 4.47Å; I528-L553 HydrophobicContact CG1-CB 4.01Å; Y531-L553 HydrophobicContact CD2-CD1 3.51Å; Y531-L553 HydrophobicContact CE2-CD1 3.26Å; Y531-L553 HydrophobicContact CG-CD1 4.49Å; F549-L553 WeakPolarHBondContact O-CB 3.22Å; F549-L553 VanDerWaalsContact O-CG 3.31Å; F549-L553 WeakPolarHBondContact O-CG 3.35Å; F549-L553 PolarHBondContact O-N 2.82Å; Q550-L553 PolarHBondContact O-N 2.77Å; E551-L553 PolarHBondContact O-N 3.14Å; L553-G557 VanDerWaalsContact O-CA 3.25Å; L553-G557 WeakPolarHBondContact O-CA 3.16Å; L553-G557 PolarHBondContact O-N 2.83Å; L553-L560 HydrophobicContact CD2-CD1 3.87Å
554S65.9Low70.4Confident18 Ų1835.9 Ų35.913%0.12618%0.183CC..Hα-helixtrans-65.6-54.6174.162.10000109.7Q550 E551 N556 G557 L886Q550-S554 PolarHBondContact O-N 2.83Å; Q550-S554 PolarHBondContact O-OG 3.01Å; E551-S554 WeakPolarHBondContact CA-OG 3.38Å; E551-S554 PolarHBondContact O-N 3.48Å; E551-S554 PolarHBondContact O-OG 3.03Å; E551-S554 VanDerWaalsContact O-OG 3.08Å; S554-N556 VanDerWaalsContact C-N 3.28Å; S554-N556 PolarHBondContact O-N 3.3Å; S554-G557 PolarHBondContact O-N 3.28Å; S554-L886 WeakPolarHBondContact O-CD1 3.41Å
555L67.8Low70.3Confident39 Ų3930.9 Ų30.920%0.20416%0.159CC..Hα-helixtrans-52-42.5178.8-72.3176.7000113.4E551 H558 L886E551-L555 HydrophobicContact CG-CD1 3.88Å; E551-L555 HydrophobicContact CG-CG 4.24Å; E551-L555 VanDerWaalsContact O-CB 3.26Å; E551-L555 WeakPolarHBondContact O-CB 3.39Å; E551-L555 WeakPolarHBondContact O-CG 3.42Å; E551-L555 PolarHBondContact O-N 3.46Å; L555-H558 PolarHBondContact O-CE1 2.63Å; L555-H558 PolarHBondContact O-ND1 3.08Å; L555-L886 HydrophobicContact CD2-CD1 4.2Å; L555-L886 HydrophobicContact CD2-CD2 3.99Å; L555-L886 HydrophobicContact CD2-CG 4.44Å
556N71.1Confident70.3Confident11 Ų1129.6 Ų29.66%0.05915%0.151CC..THydrogen-bonded Turntrans-104.19.7-174.3-59.1-74.4000113.8F552 S554 H558 H559 L560 L571F552-N556 WeakPolarHBondContact CD2-ND2 3.47Å; F552-N556 VanDerWaalsContact CE2-ND2 3.27Å; F552-N556 WeakPolarHBondContact CE2-ND2 3.27Å; F552-N556 WeakPolarHBondContact O-CB 3.26Å; F552-N556 PolarHBondContact O-N 3.3Å; F552-N556 VanDerWaalsContact O-N 3.09Å; F552-N556 PolarHBondContact O-ND2 3.45Å; S554-N556 VanDerWaalsContact C-N 3.28Å; S554-N556 PolarHBondContact O-N 3.3Å; N556-H558 PolarHBondContact O-N 3.24Å; N556-H559 PolarHBondContact O-N 3.07Å; N556-H559 VanDerWaalsContact O-N 3.13Å; N556-L560 WeakPolarHBondContact O-CG 3.04Å; N556-L560 PolarHBondContact O-N 2.8Å; N556-L571 HydrophobicContact CB-CD1 4.28Å
557G63.2Low70.8Confident8 Ų830.9 Ų30.98%0.08216%0.158CC..Hα-helixtrans-52.6-55.2-176.500000111.6L553 S554 H559 L560 E561L553-G557 VanDerWaalsContact O-CA 3.25Å; L553-G557 WeakPolarHBondContact O-CA 3.16Å; L553-G557 PolarHBondContact O-N 2.83Å; S554-G557 PolarHBondContact O-N 3.28Å; G557-H559 VanDerWaalsContact C-N 3.33Å; G557-H559 PolarHBondContact O-N 2.95Å; G557-L560 PolarHBondContact O-N 3.49Å; G557-L560 VanDerWaalsContact O-N 3.12Å; G557-E561 WeakPolarHBondContact O-CG 3.22Å; G557-E561 PolarHBondContact O-N 2.9Å
558H63.4Low71.6Confident85 Ų8528.3 Ų28.339%0.39414%0.14SC..Hα-helixtrans-57.1-40.4177.663.5-79.9000113.3L555 N556 E561 E562L555-H558 PolarHBondContact O-CE1 2.63Å; L555-H558 PolarHBondContact O-ND1 3.08Å; N556-H558 PolarHBondContact O-N 3.24Å; H558-E561 WeakPolarHBondContact O-CB 3.43Å; H558-E561 PolarHBondContact O-N 2.88Å; H558-E562 PolarHBondContact O-N 3.07Å
559H66.7Low72.1Confident16 Ų1627.7 Ų27.77%0.07414%0.138CC..Hα-helixtrans-68.1-36.6177-67-43.5000113N556 G557 E561 E562 P566 L571 Y1226N556-H559 PolarHBondContact O-N 3.07Å; N556-H559 VanDerWaalsContact O-N 3.13Å; G557-H559 VanDerWaalsContact C-N 3.33Å; G557-H559 PolarHBondContact O-N 2.95Å; H559-E561 PolarHBondContact O-N 3.14Å; H559-E562 IonicContact CE1-OE1 3.08Å; H559-E562 IonicContact ND1-OE1 3.22Å; H559-E562 PolarHBondContact ND1-OE1 3.08Å; H559-E562 WeakPolarHBondContact O-CB 3.46Å; H559-E562 PolarHBondContact O-N 2.08Å; H559-E562 VanDerWaalsContact O-N 3.1Å; H559-P566 VanDerWaalsContact O-CD 3.28Å; H559-P566 WeakPolarHBondContact O-CD 3.44Å; H559-P566 VanDerWaalsContact O-CG 3.24Å; H559-P566 WeakPolarHBondContact O-CG 3.33Å; H559-L571 HydrophobicContact CB-CD1 4.33Å; H559-Y1226 AromaticContact CE1-CD1 3.97Å; H559-Y1226 AromaticContact ND1-CD1 3.94Å
560L69.6Low72.5Confident1 Ų127.8 Ų27.81%0.00514%0.138CC..Hα-helixtrans-66.7-15.2176.9-67.9172.3000112.5A519 P524 L553 N556 G557 F565 P566 V568 L571A519-L560 HydrophobicContact CB-CB 4.47Å; A519-L560 HydrophobicContact CB-CD1 4.49Å; A519-L560 HydrophobicContact CB-CD2 4.49Å; P524-L560 HydrophobicContact CB-CB 4.3Å; P524-L560 HydrophobicContact CB-CD1 4.38Å; P524-L560 HydrophobicContact CG-CB 4.48Å; L553-L560 HydrophobicContact CD2-CD1 3.87Å; N556-L560 WeakPolarHBondContact O-CG 3.04Å; N556-L560 PolarHBondContact O-N 2.8Å; G557-L560 PolarHBondContact O-N 3.49Å; G557-L560 VanDerWaalsContact O-N 3.12Å; L560-F565 HydrophobicContact CD2-CE2 4.48Å; L560-F565 HydrophobicContact CD2-CZ 4.07Å; L560-F565 WeakPolarHBondContact O-CE2 3.28Å; L560-P566 HydrophobicContact CD2-CG 4.33Å; L560-V568 HydrophobicContact CD2-CG2 3.92Å; L560-L571 HydrophobicContact CD2-CD1 4.22Å
561E60.9Low73.1Confident51 Ų5126.9 Ų26.924%0.23813%0.134CC..Hα-helixtrans-85.8-27.9172.9-60.7-175.2-173.700112.8R220 T223 P524 G557 H558 H559R220-E561 PolarHBondContact NH1-O 2.95Å; R220-E561 PolarHBondContact NH2-O 2.9Å; R220-E561 IonicContact NH2-OE2 3.72Å; T223-E561 VanDerWaalsContact CB-CD 3.43Å; T223-E561 WeakPolarHBondContact CB-OE2 3.42Å; T223-E561 HydrophobicContact CG2-CB 4.06Å; T223-E561 HydrophobicContact CG2-CG 3.77Å; T223-E561 PolarHBondContact OG1-OE2 3.26Å; P524-E561 HydrophobicContact CG-CG 3.57Å; P524-E561 WeakPolarHBondContact CG-OE1 3.35Å; G557-E561 WeakPolarHBondContact O-CG 3.22Å; G557-E561 PolarHBondContact O-N 2.9Å; H558-E561 WeakPolarHBondContact O-CB 3.43Å; H558-E561 PolarHBondContact O-N 2.88Å; H559-E561 PolarHBondContact O-N 3.14Å
562E62.2Low73.7Confident63 Ų6325.2 Ų25.229%0.29413%0.126SC..SBendtrans-62.9145.3-176.9-70.5175.5-145.700112.6H558 H559 P564 F565 Y1226H558-E562 PolarHBondContact O-N 3.07Å; H559-E562 IonicContact CE1-OE1 3.08Å; H559-E562 IonicContact ND1-OE1 3.22Å; H559-E562 PolarHBondContact ND1-OE1 3.08Å; H559-E562 WeakPolarHBondContact O-CB 3.46Å; H559-E562 PolarHBondContact O-N 2.08Å; H559-E562 VanDerWaalsContact O-N 3.1Å; E562-P564 CarbonylContact O-C 3.6Å; E562-F565 WeakPolarHBondContact O-CA 3.42Å; E562-Y1226 WeakPolarHBondContact OE2-CE1 3.45Å
563R60.3Low74.2Confident86 Ų8625.3 Ų25.333%0.32513%0.127SC..SBendtrans-119.4129.8171.7-63.6-64.5-177.4172.2-0.3109.1K520K520-R563 PolarHBondContact O-NH2 3.04Å
564P68.2Low74.6Confident56 Ų5626.1 Ų26.136%0.36413%0.132SC..SBendcis-70.6145.76.831-36.7000113.1E562 Q1178E562-P564 CarbonylContact O-C 3.6Å; P564-Q1178 VanDerWaalsContact CD-OE1 3.29Å
565F72.9Confident75.3Confident37 Ų3725.6 Ų25.616%0.16213%0.128CC..PPolyproline II helixtrans-58.4127.7-174.8-169.6-97.3000110.8K516 A519 K520 L560 E562 V568K516-F565 HydrophobicContact CG-CE1 3.99Å; A519-F565 HydrophobicContact CB-CE2 4.18Å; A519-F565 HydrophobicContact CB-CZ 4.03Å; K520-F565 HydrophobicContact CB-CD2 4.25Å; K520-F565 HydrophobicContact CB-CE1 4.33Å; K520-F565 HydrophobicContact CB-CE2 3.99Å; K520-F565 HydrophobicContact CB-CZ 4.03Å; K520-F565 HydrophobicContact CG-CD2 4.41Å; K520-F565 HydrophobicContact CG-CG 4.42Å; L560-F565 HydrophobicContact CD2-CE2 4.48Å; L560-F565 HydrophobicContact CD2-CZ 4.07Å; L560-F565 WeakPolarHBondContact O-CE2 3.28Å; E562-F565 WeakPolarHBondContact O-CA 3.42Å; F565-V568 HydrophobicContact CE1-CG2 3.71Å; F565-V568 HydrophobicContact CZ-CG2 4.07Å
566P80Confident75.7Confident6 Ų625.8 Ų25.84%0.03913%0.132CC..PPolyproline II helixtrans-68.1158.5-174.931.2-39.5000111.9H559 L560 V568 L571 Y1226H559-P566 VanDerWaalsContact O-CD 3.28Å; H559-P566 WeakPolarHBondContact O-CD 3.44Å; H559-P566 VanDerWaalsContact O-CG 3.24Å; H559-P566 WeakPolarHBondContact O-CG 3.33Å; L560-P566 HydrophobicContact CD2-CG 4.33Å; P566-V568 PolarHBondContact O-N 3.03Å; P566-L571 HydrophobicContact CB-CD1 3.88Å; P566-L571 HydrophobicContact CB-CG 4.43Å; P566-L571 HydrophobicContact CG-CD1 3.77Å; P566-Y1226 HydrophobicContact CB-CD2 4.38Å; P566-Y1226 HydrophobicContact CB-CE2 3.68Å
567D86.7Confident76.1Confident26 Ų2628.3 Ų28.314%0.13914%0.143CC..  trans-76.6104.7170.3-158.3-28000109.8V569 Q570 L571 K597D567-V569 PolarHBondContact O-N 2.76Å; D567-V569 PolarHBondContact OD1-N 3.48Å; D567-Q570 HydrophobicContact CB-CB 4.17Å; D567-Q570 WeakPolarHBondContact O-CB 3.29Å; D567-Q570 PolarHBondContact O-N 3.14Å; D567-L571 PolarHBondContact O-N 2.89Å; D567-L571 VanDerWaalsContact O-N 3.11Å; D567-K597 IonicContact OD2-NZ 3.38Å; D567-K597 PolarHBondContact OD2-NZ 2.98Å
568V88.1Confident76.8Confident2 Ų231.9 Ų31.91%0.01217%0.167CC..Hα-helixtrans-56.1-32.8-179.2-177.20000111.9L512 V515 K516 F552 L560 F565 P566 Q570 L571 A572L512-V568 HydrophobicContact CD2-CG1 3.96Å; V515-V568 HydrophobicContact CG1-CG1 4.3Å; K516-V568 HydrophobicContact CB-CB 4.32Å; K516-V568 HydrophobicContact CB-CG2 3.85Å; K516-V568 HydrophobicContact CG-CG2 4.03Å; F552-V568 HydrophobicContact CE1-CG1 4.21Å; F552-V568 HydrophobicContact CZ-CG1 3.97Å; L560-V568 HydrophobicContact CD2-CG2 3.92Å; F565-V568 HydrophobicContact CE1-CG2 3.71Å; F565-V568 HydrophobicContact CZ-CG2 4.07Å; P566-V568 PolarHBondContact O-N 3.03Å; V568-Q570 VanDerWaalsContact C-N 3.34Å; V568-L571 PolarHBondContact O-N 3.34Å; V568-A572 VanDerWaalsContact O-CB 3.26Å; V568-A572 WeakPolarHBondContact O-CB 3.27Å; V568-A572 PolarHBondContact O-N 3.44Å
569V89.1Confident77.7Confident11 Ų1128 Ų287%0.06715%0.149CC..Hα-helixtrans-65.2-40.9176.7178.90000110.4D567 A572 L573 A585 K588 A589 Y599D567-V569 PolarHBondContact O-N 2.76Å; D567-V569 PolarHBondContact OD1-N 3.48Å; V569-A572 PolarHBondContact O-N 2.98Å; V569-L573 WeakPolarHBondContact O-CG 3.48Å; V569-L573 PolarHBondContact O-N 2.91Å; V569-A585 HydrophobicContact CG1-CB 4.2Å; V569-A585 WeakPolarHBondContact CG1-O 3.27Å; V569-K588 HydrophobicContact CG1-CB 4.49Å; V569-K588 HydrophobicContact CG2-CB 4.48Å; V569-A589 HydrophobicContact CG1-CB 4.33Å; V569-Y599 HydrophobicContact CB-CE1 3.8Å; V569-Y599 HydrophobicContact CG1-CD1 4.16Å; V569-Y599 HydrophobicContact CG1-CE1 3.67Å
570Q89.1Confident78.5Confident4 Ų428.7 Ų28.72%0.01916%0.157CC..Hα-helixtrans-68.7-37.4177.8-176.95669.200112.2D567 V568 A572 L573 Y599 F600 Q1223 F1225D567-Q570 HydrophobicContact CB-CB 4.17Å; D567-Q570 WeakPolarHBondContact O-CB 3.29Å; D567-Q570 PolarHBondContact O-N 3.14Å; V568-Q570 VanDerWaalsContact C-N 3.34Å; Q570-A572 VanDerWaalsContact C-N 3.35Å; Q570-L573 PolarHBondContact O-N 3.03Å; Q570-Y599 HydrophobicContact CB-CD1 4.41Å; Q570-F600 PolarHBondContact NE2-O 2.76Å; Q570-Q1223 HydrophobicContact CG-CG 4.41Å; Q570-F1225 HydrophobicContact CG-CD2 4.48Å
571L85.6Confident79.3Confident8 Ų828.6 Ų28.64%0.04216%0.157CC..Hα-helixtrans-64-42.1172.3-66.6175.7000111F552 N556 H559 L560 P566 D567 V568 S574 Y1226F552-L571 HydrophobicContact CE2-CB 3.98Å; F552-L571 HydrophobicContact CZ-CB 4.21Å; N556-L571 HydrophobicContact CB-CD1 4.28Å; H559-L571 HydrophobicContact CB-CD1 4.33Å; L560-L571 HydrophobicContact CD2-CD1 4.22Å; P566-L571 HydrophobicContact CB-CD1 3.88Å; P566-L571 HydrophobicContact CB-CG 4.43Å; P566-L571 HydrophobicContact CG-CD1 3.77Å; D567-L571 PolarHBondContact O-N 2.89Å; D567-L571 VanDerWaalsContact O-N 3.11Å; V568-L571 PolarHBondContact O-N 3.34Å; L571-S574 WeakPolarHBondContact O-CB 3.44Å; L571-S574 PolarHBondContact O-N 3.38Å; L571-S574 VanDerWaalsContact O-N 3.14Å; L571-S574 PolarHBondContact O-OG 3.22Å; L571-Y1226 HydrophobicContact CD2-CD2 4.01Å
572A86.1Confident80.6Confident0 Ų026.4 Ų26.40%015%0.147CC..Hα-helixtrans-68.8-32179.200000112.9L512 F552 V568 V569 Q570 S574 Q575 V581 A585L512-A572 HydrophobicContact CD1-CB 3.97Å; L512-A572 HydrophobicContact CD2-CB 3.99Å; F552-A572 HydrophobicContact CE2-CB 4.03Å; F552-A572 HydrophobicContact CZ-CB 4.19Å; V568-A572 VanDerWaalsContact O-CB 3.26Å; V568-A572 WeakPolarHBondContact O-CB 3.27Å; V568-A572 PolarHBondContact O-N 3.44Å; V569-A572 PolarHBondContact O-N 2.98Å; Q570-A572 VanDerWaalsContact C-N 3.35Å; A572-S574 PolarHBondContact O-N 2.88Å; A572-Q575 VanDerWaalsContact O-CB 3.28Å; A572-Q575 WeakPolarHBondContact O-CB 3.5Å; A572-Q575 WeakPolarHBondContact O-CG 3.29Å; A572-Q575 PolarHBondContact O-N 3.5Å; A572-V581 HydrophobicContact CB-CG1 3.61Å; A572-A585 HydrophobicContact CB-CB 3.48Å; A572-A585 VanDerWaalsContact CB-CB 3.48Å
573L87.5Confident81.9Confident3 Ų328.7 Ų28.72%0.01616%0.156CC..THydrogen-bonded Turntrans-65.2-17.3171.5-75.8174.2000113.7V569 Q570 Q575 Y582 A585 R586 A589 Y599 V1259V569-L573 WeakPolarHBondContact O-CG 3.48Å; V569-L573 PolarHBondContact O-N 2.91Å; Q570-L573 PolarHBondContact O-N 3.03Å; L573-Q575 VanDerWaalsContact C-N 3.27Å; L573-Y582 HydrophobicContact CD2-CD2 4.38Å; L573-Y582 HydrophobicContact CD2-CE2 4.19Å; L573-A585 HydrophobicContact CD2-CB 4.15Å; L573-A585 HydrophobicContact CG-CB 4.11Å; L573-R586 HydrophobicContact CD2-CB 4.15Å; L573-A589 HydrophobicContact CD1-CB 4.19Å; L573-Y599 HydrophobicContact CD1-CD1 4.02Å; L573-Y599 HydrophobicContact CD1-CG 4.09Å; L573-V1259 HydrophobicContact CD1-CG2 4.44Å
574S81.5Confident83.3Confident17 Ų1727.1 Ų27.112%0.11915%0.152CC..THydrogen-bonded Turntrans-79.4-7.3172.481.70000112.6L571 A572 K605L571-S574 WeakPolarHBondContact O-CB 3.44Å; L571-S574 PolarHBondContact O-N 3.38Å; L571-S574 VanDerWaalsContact O-N 3.14Å; L571-S574 PolarHBondContact O-OG 3.22Å; A572-S574 PolarHBondContact O-N 2.88Å; S574-K605 WeakPolarHBondContact O-CD 3.44Å; S574-K605 VanDerWaalsContact O-CE 3.25Å; S574-K605 WeakPolarHBondContact O-CE 3.45Å; S574-K605 PolarHBondContact O-NZ 2.88Å
575Q81.1Confident84.3Confident8 Ų824.4 Ų24.44%0.03713%0.134CC..SBendtrans-77161.5-179.8-62.5-56.6-4400112.3F552 A572 L573 V581F552-Q575 HydrophobicContact CD2-CG 3.74Å; F552-Q575 HydrophobicContact CE2-CG 4.45Å; A572-Q575 VanDerWaalsContact O-CB 3.28Å; A572-Q575 WeakPolarHBondContact O-CB 3.5Å; A572-Q575 WeakPolarHBondContact O-CG 3.29Å; A572-Q575 PolarHBondContact O-N 3.5Å; L573-Q575 VanDerWaalsContact C-N 3.27Å; Q575-V581 HydrophobicContact CG-CB 4.49Å; Q575-V581 HydrophobicContact CG-CG1 4.01Å
576P76.4Confident85Confident43 Ų4328 Ų2828%0.27915%0.147SC..  trans-55.9141.8178.2-24.434.3000112.4S578 S579 Y582P576-S578 PolarHBondContact O-N 3.43Å; P576-S579 WeakPolarHBondContact O-CB 3.15Å; P576-S579 PolarHBondContact O-N 3.27Å; P576-Y582 WeakPolarHBondContact O-CB 3.43Å
577H78.8Confident85.4Confident63 Ų6334.5 Ų34.529%0.29218%0.177SC..THydrogen-bonded Turntrans-60-22.6-176.9-59-64.1000114.5S579 Y582 E601H577-S579 VanDerWaalsContact C-N 3.33Å; H577-Y582 HydrophobicContact CB-CD1 4.34Å; H577-Y582 HydrophobicContact CB-CE1 4.17Å; H577-Y582 AromaticContact CE1-CE2 3.91Å; H577-Y582 AromaticContact CE1-CZ 3.95Å; H577-Y582 AromaticContact ND1-CE1 3.63Å; H577-Y582 AromaticContact ND1-CE2 3.34Å; H577-Y582 VanDerWaalsContact ND1-CE2 3.34Å; H577-Y582 WeakPolarHBondContact ND1-CE2 3.28Å; H577-Y582 AromaticContact ND1-CZ 3.13Å; H577-Y582 PolarHBondContact ND1-OH 3.48Å; H577-E601 IonicContact CE1-OE1 3.29Å; H577-E601 PolarHBondContact CE1-OE1 3.25Å; H577-E601 IonicContact ND1-OE1 2.76Å; H577-E601 PolarHBondContact ND1-OE1 3.47Å
578S78.6Confident85.4Confident83 Ų8335 Ų3558%0.5818%0.178SC*.THydrogen-bonded Turntrans-71.6-27.7174.850.20000112.9P576 K583P576-S578 PolarHBondContact O-N 3.43Å; S578-K583 PolarHBondContact O-NZ 3.11Å; S578-K583 VanDerWaalsContact O-NZ 3.16Å
579S81.4Confident85.3Confident5 Ų535.6 Ų35.64%0.03518%0.182CC..SBendtrans-65.1139.6-173.81780000112.5Q548 P576 H577 V581 Y582 K583Q548-S579 PolarHBondContact OE1-OG 3.42Å; P576-S579 WeakPolarHBondContact O-CB 3.15Å; P576-S579 PolarHBondContact O-N 3.27Å; H577-S579 VanDerWaalsContact C-N 3.33Å; S579-V581 PolarHBondContact O-N 2.9Å; S579-V581 WeakPolarHBondContact OG-CB 3.27Å; S579-V581 PolarHBondContact OG-N 2.81Å; S579-Y582 PolarHBondContact O-N 2.86Å; S579-K583 WeakPolarHBondContact O-CG 2.83Å; S579-K583 PolarHBondContact O-N 2.89Å; S579-K583 VanDerWaalsContact O-N 3.14Å
580A85.1Confident85.1Confident29 Ų2939.6 Ų39.624%0.2420%0.203CC..Hα-helixtrans-59.8-34.9170.700000111.8V545 Y582 K583 Q584V545-A580 HydrophobicContact CG1-CB 3.91Å; V545-A580 HydrophobicContact CG2-CB 4.08Å; A580-Y582 PolarHBondContact O-N 2.85Å; A580-K583 PolarHBondContact O-N 2.8Å; A580-Q584 WeakPolarHBondContact O-CB 3.26Å; A580-Q584 PolarHBondContact O-N 3.03Å
581V86.8Confident84.9Confident0 Ų042.9 Ų42.90%022%0.221CC..Hα-helixtrans-60-47.3176.91770000110.8L512 Q548 F549 F552 A572 Q575 S579 A585L512-V581 HydrophobicContact CD2-CG1 4.27Å; Q548-V581 HydrophobicContact CB-CG2 4.44Å; F549-V581 HydrophobicContact CD1-CG2 3.99Å; F549-V581 HydrophobicContact CD2-CG2 3.61Å; F549-V581 HydrophobicContact CE1-CG2 4.02Å; F549-V581 HydrophobicContact CE2-CG2 3.65Å; F549-V581 HydrophobicContact CG-CG2 3.79Å; F549-V581 HydrophobicContact CZ-CG2 3.86Å; F552-V581 HydrophobicContact CB-CG1 4.32Å; F552-V581 HydrophobicContact CB-CG2 4.3Å; F552-V581 HydrophobicContact CD1-CG1 4.33Å; F552-V581 HydrophobicContact CD2-CG1 3.95Å; F552-V581 HydrophobicContact CE2-CG1 4.37Å; F552-V581 HydrophobicContact CG-CG1 3.92Å; A572-V581 HydrophobicContact CB-CG1 3.61Å; Q575-V581 HydrophobicContact CG-CB 4.49Å; Q575-V581 HydrophobicContact CG-CG1 4.01Å; S579-V581 PolarHBondContact O-N 2.9Å; S579-V581 WeakPolarHBondContact OG-CB 3.27Å; S579-V581 PolarHBondContact OG-N 2.81Å; V581-A585 WeakPolarHBondContact O-CB 3.32Å; V581-A585 PolarHBondContact O-N 3Å
582Y88Confident84.1Confident5 Ų547.3 Ų47.32%0.0225%0.25CS..Hα-helixtrans-64.8-43.9177.3166.1-86.5000111.5L573 P576 H577 S579 A580 Q584 A585 R586 E601L573-Y582 HydrophobicContact CD2-CD2 4.38Å; L573-Y582 HydrophobicContact CD2-CE2 4.19Å; P576-Y582 WeakPolarHBondContact O-CB 3.43Å; H577-Y582 HydrophobicContact CB-CD1 4.34Å; H577-Y582 HydrophobicContact CB-CE1 4.17Å; H577-Y582 AromaticContact CE1-CE2 3.91Å; H577-Y582 AromaticContact CE1-CZ 3.95Å; H577-Y582 AromaticContact ND1-CE1 3.63Å; H577-Y582 AromaticContact ND1-CE2 3.34Å; H577-Y582 VanDerWaalsContact ND1-CE2 3.34Å; H577-Y582 WeakPolarHBondContact ND1-CE2 3.28Å; H577-Y582 AromaticContact ND1-CZ 3.13Å; H577-Y582 PolarHBondContact ND1-OH 3.48Å; S579-Y582 PolarHBondContact O-N 2.86Å; A580-Y582 PolarHBondContact O-N 2.85Å; Y582-Q584 PolarHBondContact O-N 2.94Å; Y582-A585 PolarHBondContact O-N 2.99Å; Y582-R586 HydrophobicContact CE1-CB 4.45Å; Y582-R586 WeakPolarHBondContact O-CB 3.5Å; Y582-R586 PolarHBondContact O-N 3.11Å; Y582-R586 WeakPolarHBondContact OH-CD 3.41Å; Y582-R586 PolarHBondContact OH-NH1 2.87Å; Y582-R586 VanDerWaalsContact OH-NH1 3.16Å; Y582-E601 HydrophobicContact CE2-CG 4.3Å; Y582-E601 PolarHBondContact OH-OE1 2.91Å
583K88.6Confident83.3Confident111 Ų11154.1 Ų54.148%0.48329%0.286SS..Hα-helixtrans-60.5-47.6-179.9-70.5170.1-176.9161.90111.4S578 S579 A580 A585 R586 E587S578-K583 PolarHBondContact O-NZ 3.11Å; S578-K583 VanDerWaalsContact O-NZ 3.16Å; S579-K583 WeakPolarHBondContact O-CG 2.83Å; S579-K583 PolarHBondContact O-N 2.89Å; S579-K583 VanDerWaalsContact O-N 3.14Å; A580-K583 PolarHBondContact O-N 2.8Å; K583-A585 VanDerWaalsContact C-N 3.34Å; K583-A585 PolarHBondContact O-N 3.44Å; K583-R586 PolarHBondContact O-N 3.07Å; K583-E587 WeakPolarHBondContact O-CG 3.38Å; K583-E587 PolarHBondContact O-N 3.19Å
584Q89.7Confident82.3Confident52 Ų5256.2 Ų56.224%0.24330%0.297CS..Hα-helixtrans-64-39.1177.4-166.6-178.158.300111.9F510 L512 A580 Y582 K588F510-Q584 PolarHBondContact O-NE2 2.82Å; F510-Q584 PolarHBondContact O-OE1 3.44Å; F510-Q584 VanDerWaalsContact O-OE1 3.12Å; L512-Q584 HydrophobicContact CD1-CB 4.16Å; L512-Q584 HydrophobicContact CD1-CG 4.23Å; A580-Q584 WeakPolarHBondContact O-CB 3.26Å; A580-Q584 PolarHBondContact O-N 3.03Å; Y582-Q584 PolarHBondContact O-N 2.94Å; Q584-K588 WeakPolarHBondContact O-CG 3.31Å; Q584-K588 PolarHBondContact O-N 3.13Å; Q584-K588 VanDerWaalsContact O-N 3.09Å
585A88.8Confident81.2Confident0 Ų059.8 Ų59.80%033%0.328CS..Hα-helixtrans-65.2-40.2176.100000112.3L512 V569 A572 L573 V581 Y582 K583 K588 A589L512-A585 HydrophobicContact CD1-CB 3.85Å; V569-A585 HydrophobicContact CG1-CB 4.2Å; V569-A585 WeakPolarHBondContact CG1-O 3.27Å; A572-A585 HydrophobicContact CB-CB 3.48Å; A572-A585 VanDerWaalsContact CB-CB 3.48Å; L573-A585 HydrophobicContact CD2-CB 4.15Å; L573-A585 HydrophobicContact CG-CB 4.11Å; V581-A585 WeakPolarHBondContact O-CB 3.32Å; V581-A585 PolarHBondContact O-N 3Å; Y582-A585 PolarHBondContact O-N 2.99Å; K583-A585 VanDerWaalsContact C-N 3.34Å; K583-A585 PolarHBondContact O-N 3.44Å; A585-K588 PolarHBondContact O-N 3.01Å; A585-A589 VanDerWaalsContact O-CB 3.31Å; A585-A589 WeakPolarHBondContact O-CB 3.14Å; A585-A589 PolarHBondContact O-N 2.9Å
586R88.7Confident80.5Confident113 Ų11362.9 Ų62.943%0.42636%0.363SS..Hα-helixtrans-65-43.7177.3-175.9177.9176.6169.3-5.9112L573 Y582 K583 K588 A589 L590L573-R586 HydrophobicContact CD2-CB 4.15Å; Y582-R586 HydrophobicContact CE1-CB 4.45Å; Y582-R586 WeakPolarHBondContact O-CB 3.5Å; Y582-R586 PolarHBondContact O-N 3.11Å; Y582-R586 WeakPolarHBondContact OH-CD 3.41Å; Y582-R586 PolarHBondContact OH-NH1 2.87Å; Y582-R586 VanDerWaalsContact OH-NH1 3.16Å; K583-R586 PolarHBondContact O-N 3.07Å; R586-K588 VanDerWaalsContact C-N 3.32Å; R586-K588 PolarHBondContact O-N 3.41Å; R586-A589 PolarHBondContact O-N 3.15Å; R586-L590 HydrophobicContact CG-CD1 4.1Å; R586-L590 WeakPolarHBondContact O-CG 3.21Å; R586-L590 PolarHBondContact O-N 2.68Å
587E88.6Confident80.6Confident141 Ų14165 Ų6566%0.65937%0.367SS*.Hα-helixtrans-59.4-44.5174.7-73.1173.7-176.700111.4K583 A589 L590 N591K583-E587 WeakPolarHBondContact O-CG 3.38Å; K583-E587 PolarHBondContact O-N 3.19Å; E587-A589 PolarHBondContact O-N 2.81Å; E587-L590 PolarHBondContact O-N 2.49Å; E587-N591 PolarHBondContact O-N 2.88Å
588K86.1Confident80.9Confident38 Ų3863.2 Ų63.217%0.16536%0.36CS..Hα-helixtrans-65.5-36.3175.5-74.1-177.2173.1-172.30113.2D513 V569 Q584 A585 R586 L590 N591 N594D513-K588 IonicContact OD1-NZ 3.03Å; D513-K588 PolarHBondContact OD1-NZ 2.71Å; D513-K588 IonicContact OD2-NZ 3.98Å; D513-K588 PolarHBondContact OD2-NZ 3.14Å; V569-K588 HydrophobicContact CG1-CB 4.49Å; V569-K588 HydrophobicContact CG2-CB 4.48Å; Q584-K588 WeakPolarHBondContact O-CG 3.31Å; Q584-K588 PolarHBondContact O-N 3.13Å; Q584-K588 VanDerWaalsContact O-N 3.09Å; A585-K588 PolarHBondContact O-N 3.01Å; R586-K588 VanDerWaalsContact C-N 3.32Å; R586-K588 PolarHBondContact O-N 3.41Å; K588-L590 VanDerWaalsContact C-N 3.33Å; K588-N591 WeakPolarHBondContact O-CB 3.25Å; K588-N591 PolarHBondContact O-N 2.89Å; K588-N594 PolarHBondContact O-ND2 2.77Å
589A85.3Confident81.4Confident13 Ų1359.6 Ų59.611%0.10733%0.333CS..Hα-helixtrans-67.5-34.1177.900000112.4V569 L573 A585 R586 E587 Y599V569-A589 HydrophobicContact CG1-CB 4.33Å; L573-A589 HydrophobicContact CD1-CB 4.19Å; A585-A589 VanDerWaalsContact O-CB 3.31Å; A585-A589 WeakPolarHBondContact O-CB 3.14Å; A585-A589 PolarHBondContact O-N 2.9Å; R586-A589 PolarHBondContact O-N 3.15Å; E587-A589 PolarHBondContact O-N 2.81Å; A589-Y599 HydrophobicContact CB-CD2 3.54Å; A589-Y599 HydrophobicContact CB-CE2 4.02Å; A589-Y599 HydrophobicContact CB-CG 3.86Å
590L86.2Confident81.8Confident95 Ų9559.4 Ų59.450%0.49733%0.332SS..Hα-helixtrans-82.1-10.9178.1-67.9171.2000113.7R586 E587 K588 V1259 A1260R586-L590 HydrophobicContact CG-CD1 4.1Å; R586-L590 WeakPolarHBondContact O-CG 3.21Å; R586-L590 PolarHBondContact O-N 2.68Å; E587-L590 PolarHBondContact O-N 2.49Å; K588-L590 VanDerWaalsContact C-N 3.33Å; L590-V1259 HydrophobicContact CD2-CG1 3.82Å; L590-V1259 HydrophobicContact CG-CG1 4.42Å; L590-A1260 WeakPolarHBondContact CD2-O 3.38Å
591N84.3Confident81.9Confident73 Ų7359.9 Ų59.939%0.3933%0.329SS..SBendtrans-66.7127.9-178.7-169-4.4000110.9E587 K588 D593 N594E587-N591 PolarHBondContact O-N 2.88Å; K588-N591 WeakPolarHBondContact O-CB 3.25Å; K588-N591 PolarHBondContact O-N 2.89Å; N591-D593 PolarHBondContact O-N 2.9Å; N591-D593 VanDerWaalsContact O-N 3.08Å; N591-N594 PolarHBondContact O-N 2.52Å
592P69.3Low81.8Confident102 Ų10260.5 Ų60.566%0.66233%0.332SS*.G310 helixtrans-54.4-27.2-178.217-33.6000115.4N594 A595P592-N594 PolarHBondContact O-N 3.03Å; P592-N594 VanDerWaalsContact O-N 3.09Å; P592-A595 WeakPolarHBondContact O-CB 3.48Å; P592-A595 PolarHBondContact O-N 3.48Å
593D68.3Low81.4Confident143 Ų14362 Ų6277%0.76534%0.341SS*.G310 helixtrans-60.1-21.4175.9-64.8-27.2000112.8N591N591-D593 PolarHBondContact O-N 2.9Å; N591-D593 VanDerWaalsContact O-N 3.08Å
594N67.5Low80.8Confident46 Ų4657.1 Ų57.125%0.24632%0.319CS..G310 helixtrans-97.611.1177.9-74.8-40.1000114.2K588 N591 P592 G596 K597 Y599K588-N594 PolarHBondContact O-ND2 2.77Å; N591-N594 PolarHBondContact O-N 2.52Å; P592-N594 PolarHBondContact O-N 3.03Å; P592-N594 VanDerWaalsContact O-N 3.09Å; N594-G596 PolarHBondContact O-N 3.22Å; N594-K597 PolarHBondContact O-N 3.47Å; N594-Y599 HydrophobicContact CB-CE2 4.14Å
595A58.3Low79.6Confident92 Ų9257 Ų5776%0.7632%0.318SS*.THydrogen-bonded Turntrans-56.4-15.9-172.800000116P592P592-A595 WeakPolarHBondContact O-CB 3.48Å; P592-A595 PolarHBondContact O-N 3.48Å
596G65.7Low77.9Confident74 Ų7461.1 Ų61.176%0.76335%0.347SS*.THydrogen-bonded Turntrans-87.9-11.4174.600000115.6N594N594-G596 PolarHBondContact O-N 3.22Å
597K78.2Confident75.9Confident86 Ų8658 Ų5837%0.37434%0.343SS..SBendtrans-96.1146.7-177.1-72.6-174.6167.2-162.50111.8D567 N594 Y599D567-K597 IonicContact OD2-NZ 3.38Å; D567-K597 PolarHBondContact OD2-NZ 2.98Å; N594-K597 PolarHBondContact O-N 3.47Å; K597-Y599 HydrophobicContact CB-CE2 3.99Å; K597-Y599 HydrophobicContact CD-CE2 4.46Å; K597-Y599 WeakPolarHBondContact CD-OH 3.33Å
598L85.4Confident74.1Confident26 Ų2654 Ų5414%0.13633%0.334CS..  trans-98.3118.7175.6-62.6173.6000109F600 W1213 L1222 Q1223 K1258L598-F600 HydrophobicContact CB-CE2 3.97Å; L598-F600 HydrophobicContact CB-CZ 4.06Å; L598-W1213 HydrophobicContact CD1-CB 4.33Å; L598-W1213 HydrophobicContact CD1-CG 4.49Å; L598-L1222 HydrophobicContact CD1-CB 4.19Å; L598-L1222 HydrophobicContact CD1-CD1 3.92Å; L598-Q1223 HydrophobicContact CB-CB 4.36Å; L598-Q1223 WeakPolarHBondContact O-CG 3.28Å; L598-Q1223 PolarHBondContact O-NE2 3.04Å; L598-K1258 HydrophobicContact CD2-CD 4.37Å; L598-K1258 VanDerWaalsContact CD2-CE 3.49Å
599Y89.9Confident72.2Confident7 Ų757.9 Ų57.93%0.02735%0.352CS..  trans-112.1145.3172.9-67.9-65.3000111.1V569 Q570 L573 A589 N594 K597 V1259V569-Y599 HydrophobicContact CB-CE1 3.8Å; V569-Y599 HydrophobicContact CG1-CD1 4.16Å; V569-Y599 HydrophobicContact CG1-CE1 3.67Å; Q570-Y599 HydrophobicContact CB-CD1 4.41Å; L573-Y599 HydrophobicContact CD1-CD1 4.02Å; L573-Y599 HydrophobicContact CD1-CG 4.09Å; A589-Y599 HydrophobicContact CB-CD2 3.54Å; A589-Y599 HydrophobicContact CB-CE2 4.02Å; A589-Y599 HydrophobicContact CB-CG 3.86Å; N594-Y599 HydrophobicContact CB-CE2 4.14Å; K597-Y599 HydrophobicContact CB-CE2 3.99Å; K597-Y599 HydrophobicContact CD-CE2 4.46Å; K597-Y599 WeakPolarHBondContact CD-OH 3.33Å; Y599-V1259 PolarHBondContact O-N 3.18Å
600F88.9Confident70.6Confident1 Ų161.2 Ų61.20%0.00437%0.368CS..EExtended strand (participates in β ladder)trans-125.7134.2-179.2-58.5-80.5000110.6Q570 L598 W1213 Q1223 Y1244 L1256 K1257 K1258Q570-F600 PolarHBondContact NE2-O 2.76Å; L598-F600 HydrophobicContact CB-CE2 3.97Å; L598-F600 HydrophobicContact CB-CZ 4.06Å; F600-W1213 HydrophobicContact CD1-CZ2 4.11Å; F600-W1213 HydrophobicContact CD2-CD2 4.48Å; F600-W1213 HydrophobicContact CD2-CE3 4.29Å; F600-W1213 AromaticContact CD2-CH2 3.67Å; F600-W1213 HydrophobicContact CD2-CH2 3.67Å; F600-W1213 AromaticContact CD2-CZ2 3.88Å; F600-W1213 HydrophobicContact CD2-CZ2 3.88Å; F600-W1213 AromaticContact CD2-CZ3 3.9Å; F600-W1213 HydrophobicContact CD2-CZ3 3.9Å; F600-W1213 AromaticContact CE1-CE2 3.86Å; F600-W1213 AromaticContact CE1-CZ2 3.76Å; F600-W1213 HydrophobicContact CE1-CZ2 3.76Å; F600-W1213 AromaticContact CE1-NE1 3.89Å; F600-W1213 AromaticContact CE2-CD2 3.51Å; F600-W1213 HydrophobicContact CE2-CD2 3.51Å; F600-W1213 AromaticContact CE2-CE2 3.4Å; F600-W1213 AromaticContact CE2-CE3 3.64Å; F600-W1213 HydrophobicContact CE2-CE3 3.64Å; F600-W1213 HydrophobicContact CE2-CG 4.21Å; F600-W1213 AromaticContact CE2-CH2 3.64Å; F600-W1213 HydrophobicContact CE2-CH2 3.64Å; F600-W1213 AromaticContact CE2-CZ2 3.49Å; F600-W1213 HydrophobicContact CE2-CZ2 3.49Å; F600-W1213 VanDerWaalsContact CE2-CZ2 3.49Å; F600-W1213 AromaticContact CE2-CZ3 3.71Å; F600-W1213 HydrophobicContact CE2-CZ3 3.71Å; F600-W1213 AromaticContact CE2-NE1 3.95Å; F600-W1213 HydrophobicContact CG-CH2 4.15Å; F600-W1213 HydrophobicContact CG-CZ2 4.17Å; F600-W1213 AromaticContact CZ-CD1 3.82Å; F600-W1213 AromaticContact CZ-CD2 3.66Å; F600-W1213 HydrophobicContact CZ-CD2 3.66Å; F600-W1213 AromaticContact CZ-CE2 3.17Å; F600-W1213 HydrophobicContact CZ-CE3 4.27Å; F600-W1213 HydrophobicContact CZ-CG 4.09Å; F600-W1213 HydrophobicContact CZ-CH2 4.09Å; F600-W1213 AromaticContact CZ-CZ2 3.44Å; F600-W1213 HydrophobicContact CZ-CZ2 3.44Å; F600-W1213 VanDerWaalsContact CZ-CZ2 3.44Å; F600-W1213 HydrophobicContact CZ-CZ3 4.46Å; F600-W1213 AromaticContact CZ-NE1 3.27Å; F600-W1213 VanDerWaalsContact CZ-NE1 3.27Å; F600-Q1223 HydrophobicContact CD2-CG 4.31Å; F600-Q1223 HydrophobicContact CE2-CB 4.38Å; F600-Q1223 HydrophobicContact CE2-CG 4.19Å; F600-Y1244 HydrophobicContact CD1-CD2 4.25Å; F600-Y1244 HydrophobicContact CD1-CE2 4.13Å; F600-Y1244 HydrophobicContact CE1-CD2 4.1Å; F600-Y1244 AromaticContact CE1-CE2 3.56Å; F600-Y1244 HydrophobicContact CE1-CE2 3.56Å; F600-Y1244 HydrophobicContact CZ-CE2 4.43Å; F600-L1256 HydrophobicContact CB-CB 4.35Å; F600-K1257 CarbonylContact C-O 3.5Å; F600-K1257 WeakPolarHBondContact CA-O 3.45Å; F600-K1258 HydrophobicContact CD1-CB 4.14Å; F600-K1258 HydrophobicContact CE1-CB 3.99Å; F600-K1258 HydrophobicContact CE1-CG 4.22Å
601E87.4Confident69.2Low39 Ų3957.4 Ų57.418%0.18235%0.348CS..EExtended strand (participates in β ladder)trans-102.9138.1176.4179.5174.8-165.400110.2H577 Y582 L1256 K1257 V1259H577-E601 IonicContact CE1-OE1 3.29Å; H577-E601 PolarHBondContact CE1-OE1 3.25Å; H577-E601 IonicContact ND1-OE1 2.76Å; H577-E601 PolarHBondContact ND1-OE1 3.47Å; Y582-E601 HydrophobicContact CE2-CG 4.3Å; Y582-E601 PolarHBondContact OH-OE1 2.91Å; E601-L1256 CarbonylContact O-C 3.58Å; E601-L1256 WeakPolarHBondContact O-CA 3.45Å; E601-K1257 PolarHBondContact N-O 2.91Å; E601-K1257 PolarHBondContact O-N 3.08Å; E601-V1259 HydrophobicContact CB-CG2 4.03Å
602L84.1Confident67.9Low13 Ų1354.4 Ų54.47%0.06833%0.333CS..EExtended strand (participates in β ladder)trans-92.4108.2176.4-177.463.2000110.1N604 K605 Y1254 L1256L602-N604 VanDerWaalsContact CD1-OD1 3.23Å; L602-N604 WeakPolarHBondContact CD1-OD1 3.5Å; L602-K605 HydrophobicContact CD2-CB 3.75Å; L602-K605 HydrophobicContact CD2-CD 3.9Å; L602-K605 HydrophobicContact CD2-CG 4.1Å; L602-K605 HydrophobicContact CG-CB 4.02Å; L602-Y1254 HydrophobicContact CD1-CD1 3.93Å; L602-Y1254 HydrophobicContact CD2-CD1 4.2Å; L602-L1256 HydrophobicContact CB-CD2 4.25Å; L602-L1256 HydrophobicContact CD1-CD2 3.86Å
603I81.1Confident67.7Low38 Ų3855 Ų5520%0.19532%0.322CS..THydrogen-bonded Turntrans-75.3-35.5-170.7-59.4163000112I1255 K1257I603-I1255 HydrophobicContact CD1-CG2 4.07Å; I603-I1255 PolarHBondContact N-O 2.97Å; I603-K1257 HydrophobicContact CD1-CB 3.48Å; I603-K1257 VanDerWaalsContact CD1-CB 3.48Å; I603-K1257 HydrophobicContact CD1-CD 3.95Å; I603-K1257 HydrophobicContact CD1-CG 4.33Å; I603-K1257 HydrophobicContact CG1-CB 4.01Å
604N75.3Confident67.7Low7 Ų749.9 Ų49.94%0.03730%0.295CS..THydrogen-bonded Turntrans-95.36.6-167.869.9-56.5000114L602 S606 S607 L1253 I1255L602-N604 VanDerWaalsContact CD1-OD1 3.23Å; L602-N604 WeakPolarHBondContact CD1-OD1 3.5Å; N604-S606 PolarHBondContact O-N 2.75Å; N604-S607 PolarHBondContact O-N 3Å; N604-S607 VanDerWaalsContact O-N 3.08Å; N604-S607 PolarHBondContact O-OG 3.1Å; N604-L1253 PolarHBondContact ND2-O 3.43Å; N604-I1255 HydrophobicContact CB-CD1 4.41Å; N604-I1255 PolarHBondContact OD1-N 3.24Å; N604-I1255 VanDerWaalsContact OD1-N 3.07Å
605K64.9Low67.8Low49 Ų4949.3 Ų49.321%0.21329%0.293CS..G310 helixtrans-66.2-25.8-176.5-161.7170.3179166.70113.3S574 L602 S607 A608S574-K605 WeakPolarHBondContact O-CD 3.44Å; S574-K605 VanDerWaalsContact O-CE 3.25Å; S574-K605 WeakPolarHBondContact O-CE 3.45Å; S574-K605 PolarHBondContact O-NZ 2.88Å; L602-K605 HydrophobicContact CD2-CB 3.75Å; L602-K605 HydrophobicContact CD2-CD 3.9Å; L602-K605 HydrophobicContact CD2-CG 4.1Å; L602-K605 HydrophobicContact CG-CB 4.02Å; K605-S607 PolarHBondContact O-N 2.96Å; K605-A608 PolarHBondContact O-N 3.09Å; K605-A608 VanDerWaalsContact O-N 3.11Å
606S53.2Low68.5Low88 Ų8845.5 Ų45.562%0.61526%0.26SS*.G310 helixtrans-61-23173.153.90000113.9N604N604-S606 PolarHBondContact O-N 2.75Å
607S46.7Very low68.6Low48 Ų4843.6 Ų43.634%0.33623%0.23SC..G310 helixtrans-90.1-15.8176.970.40000114.1N604 K605 E609 T957N604-S607 PolarHBondContact O-N 3Å; N604-S607 VanDerWaalsContact O-N 3.08Å; N604-S607 PolarHBondContact O-OG 3.1Å; K605-S607 PolarHBondContact O-N 2.96Å; S607-E609 PolarHBondContact O-N 3.26Å; S607-E609 VanDerWaalsContact O-N 3.14Å; S607-T957 WeakPolarHBondContact CB-O 3.29Å
608A49.4Very low68Low56 Ų5639.9 Ų39.946%0.46322%0.215SC..SBendtrans-8574.9167.900000107K605 N610K605-A608 PolarHBondContact O-N 3.09Å; K605-A608 VanDerWaalsContact O-N 3.11Å; A608-N610 PolarHBondContact O-N 2.97Å
609E47.6Very low67.1Low119 Ų11938.8 Ų38.856%0.55621%0.209SC*.  trans-54.5131.2175.6-69.9-169.7-176.600109.2S607 L611 K917S607-E609 PolarHBondContact O-N 3.26Å; S607-E609 VanDerWaalsContact O-N 3.14Å; E609-L611 PolarHBondContact O-N 3.46Å; E609-K917 WeakPolarHBondContact OE2-CE 3.37Å; E609-K917 IonicContact OE2-NZ 2.79Å; E609-K917 PolarHBondContact OE2-NZ 3.28Å
610N51.9Low65.8Low83 Ų8342 Ų4244%0.44423%0.227SC..  trans-53.8111.1166.2-90.7-7.3000107.1E551 A608 S612E551-N610 PolarHBondContact OE1-ND2 3.23Å; A608-N610 PolarHBondContact O-N 2.97Å; N610-S612 PolarHBondContact O-N 3.04Å
611L55.8Low64.7Low15 Ų1542.5 Ų42.58%0.07923%0.232CC..SBendtrans-65.6-25.1178.5-67.4168.1000111E609 W913 V918 S921 A923E609-L611 PolarHBondContact O-N 3.46Å; L611-W913 HydrophobicContact CB-CE3 3.79Å; L611-W913 HydrophobicContact CB-CZ3 3.75Å; L611-V918 HydrophobicContact CB-CG2 4.47Å; L611-S921 WeakPolarHBondContact CD2-OG 3.5Å; L611-A923 HydrophobicContact CD1-CB 3.71Å; L611-A923 HydrophobicContact CD2-CB 4.06Å; L611-A923 HydrophobicContact CG-CB 4.32Å
612S56.6Low64.3Low10 Ų1042.2 Ų42.27%0.0723%0.234CC..EExtended strand (participates in β ladder)trans-79.8121.9173.4550000110.5N610 L614 R911 L912N610-S612 PolarHBondContact O-N 3.04Å; S612-L614 VanDerWaalsContact C-N 3.32Å; S612-R911 PolarHBondContact OG-NH1 3.26Å; S612-L912 CarbonylContact C-O 3.51Å; S612-L912 WeakPolarHBondContact CA-O 3.23Å
613R66.3Low64.4Low116 Ų11641.6 Ų41.644%0.43823%0.231SC..EExtended strand (participates in β ladder)trans-62.2-39.2172.4179.7-171174.9130.2-8.7112L912 E914R613-L912 PolarHBondContact N-O 2.94Å; R613-E914 HydrophobicContact CB-CG 4.2Å; R613-E914 VanDerWaalsContact CD-OE1 3.27Å; R613-E914 WeakPolarHBondContact CD-OE1 3.42Å; R613-E914 HydrophobicContact CG-CG 4.46Å; R613-E914 IonicContact CZ-OE1 3.4Å; R613-E914 IonicContact NE-OE1 3.89Å; R613-E914 IonicContact NH1-OE1 2.67Å; R613-E914 PolarHBondContact NH1-OE1 2.78Å
614L66.7Low64.9Low35 Ų3542.7 Ų42.718%0.18323%0.233CC..EExtended strand (participates in β ladder)trans-147.9139.6-176.1-177.367.6000109.8S612 I616 R911 L912S612-L614 VanDerWaalsContact C-N 3.32Å; L614-I616 HydrophobicContact CD2-CD1 3.74Å; L614-I616 HydrophobicContact CD2-CG1 3.78Å; L614-I616 HydrophobicContact CG-CD1 4.36Å; L614-I616 HydrophobicContact CG-CG1 3.85Å; L614-R911 WeakPolarHBondContact O-CA 3.42Å; L614-L912 HydrophobicContact CB-CB 4.15Å; L614-L912 HydrophobicContact CB-CD1 4.11Å; L614-L912 HydrophobicContact CD2-CD1 3.83Å; L614-L912 PolarHBondContact N-O 3.28Å; L614-L912 PolarHBondContact O-N 2.81Å
615V71.1Confident65.7Low33 Ų3342.4 Ų42.420%0.223%0.232CC..EExtended strand (participates in β ladder)trans-121.7124.6170.9-173.20000107.4T909 I910 R911V615-T909 HydrophobicContact CG1-CG2 4.3Å; V615-I910 CarbonylContact C-O 3.58Å; V615-I910 WeakPolarHBondContact CA-O 3.2Å; V615-R911 HydrophobicContact CG1-CG 4.2Å; V615-R911 HydrophobicContact CG2-CG 4.14Å
616I71.3Confident67.1Low13 Ų1340.1 Ų40.17%0.06722%0.222CC..EExtended strand (participates in β ladder)trans-116.8137.2179.8-48.3175.6000107.7L614 P618 F647 T909 I910L614-I616 HydrophobicContact CD2-CD1 3.74Å; L614-I616 HydrophobicContact CD2-CG1 3.78Å; L614-I616 HydrophobicContact CG-CD1 4.36Å; L614-I616 HydrophobicContact CG-CG1 3.85Å; I616-P618 HydrophobicContact CG2-CB 4.3Å; I616-P618 WeakPolarHBondContact O-CD 2.92Å; I616-F647 HydrophobicContact CD1-CB 4.28Å; I616-F647 HydrophobicContact CD1-CG 4.41Å; I616-F647 HydrophobicContact CG2-CD1 4.13Å; I616-F647 HydrophobicContact CG2-CE1 4.13Å; I616-F647 HydrophobicContact CG2-CG 4.45Å; I616-F647 HydrophobicContact CG2-CZ 4.47Å; I616-T909 WeakPolarHBondContact O-CA 3.28Å; I616-I910 HydrophobicContact CB-CB 4.35Å; I616-I910 PolarHBondContact N-O 2.89Å; I616-I910 PolarHBondContact O-N 2.82Å
617H67.9Low69Low33 Ų3336.2 Ų36.215%0.15320%0.195CC..  trans-11178172.8-62.183.8000109.4M532 T909M532-H617 HydrophobicContact CE-CB 3.45Å; M532-H617 VanDerWaalsContact CE-CB 3.45Å; M532-H617 HydrophobicContact SD-CB 3.81Å; H617-T909 VanDerWaalsContact CD2-CG2 3.46Å; H617-T909 WeakPolarHBondContact CD2-CG2 3.38Å; H617-T909 VanDerWaalsContact NE2-CG2 3.26Å; H617-T909 WeakPolarHBondContact NE2-CG2 3.27Å
618P65.9Low71.2Confident8 Ų834.5 Ų34.55%0.05218%0.181CC..  trans-81.3-33.1-168.833.1-40000113.9I616 I623 K645 F647 I910I616-P618 HydrophobicContact CG2-CB 4.3Å; I616-P618 WeakPolarHBondContact O-CD 2.92Å; P618-I623 HydrophobicContact CG-CD1 3.45Å; P618-I623 VanDerWaalsContact CG-CD1 3.45Å; P618-K645 HydrophobicContact CB-CD 4.42Å; P618-K645 WeakPolarHBondContact O-CD 3.21Å; P618-K645 WeakPolarHBondContact O-CE 3.24Å; P618-K645 PolarHBondContact O-NZ 2.84Å; P618-F647 HydrophobicContact CB-CD2 4.49Å; P618-F647 HydrophobicContact CB-CE1 4.16Å; P618-F647 HydrophobicContact CB-CE2 3.38Å; P618-F647 HydrophobicContact CB-CZ 3.17Å; P618-F647 HydrophobicContact CG-CE2 4.41Å; P618-I910 HydrophobicContact CG-CD1 3.67Å; P618-I910 HydrophobicContact CG-CG1 3.97Å
619H68.1Low73.2Confident3 Ų332 Ų321%0.01416%0.161CC..SBendtrans-123.8148.8-164.9-65.3-71.9000111.9G621 I623 S637 S641 T643H619-G621 PolarHBondContact O-N 3.4Å; H619-I623 HydrophobicContact CB-CG1 4.26Å; H619-S637 PolarHBondContact CD2-OG 3.46Å; H619-S637 PolarHBondContact CE1-O 3.36Å; H619-S637 WeakPolarHBondContact NE2-CB 3.45Å; H619-S637 PolarHBondContact NE2-O 3.19Å; H619-S637 VanDerWaalsContact NE2-O 3.1Å; H619-S637 PolarHBondContact NE2-OG 3.25Å; H619-S641 PolarHBondContact ND1-OG 3.45Å; H619-T643 PolarHBondContact CE1-O 2.72Å; H619-T643 VanDerWaalsContact CE1-O 3.24Å; H619-T643 PolarHBondContact ND1-OG1 3.47Å
620L61.2Low75.1Confident75 Ų7529.4 Ų29.439%0.39315%0.148SC..SBendtrans-84.696.6167-67172.1000108N529 M532 S641N529-L620 WeakPolarHBondContact OD1-CD2 3.44Å; M532-L620 HydrophobicContact CB-CD2 3.71Å; M532-L620 HydrophobicContact CG-CD2 4.08Å; L620-S641 WeakPolarHBondContact O-CB 3.26Å
621G66.5Low76.7Confident12 Ų1229.3 Ų29.312%0.12415%0.148CC..SBendtrans113.4179.4-176.400000114.4H619 Q908H619-G621 PolarHBondContact O-N 3.4Å; G621-Q908 WeakPolarHBondContact O-CG 3.49Å
622S78.3Confident78Confident32 Ų3229.6 Ų29.622%0.22415%0.154CC..  trans-57.7144.2-174.3-580000113.5G639 A640 D906S622-G639 WeakPolarHBondContact O-CA 3.3Å; S622-A640 PolarHBondContact O-N 2.75Å; S622-D906 WeakPolarHBondContact CB-OD1 3.38Å; S622-D906 PolarHBondContact OG-OD1 3.46Å
623I87.1Confident79.3Confident0 Ų032.1 Ų32.10%017%0.169CC..  trans-106.6106.7179.1-53.7178.9000108.6P618 H619 C638 C904 S905 Q908 I910P618-I623 HydrophobicContact CG-CD1 3.45Å; P618-I623 VanDerWaalsContact CG-CD1 3.45Å; H619-I623 HydrophobicContact CB-CG1 4.26Å; I623-C638 WeakPolarHBondContact CG2-O 3.5Å; I623-C904 HydrophobicContact CB-CB 4.05Å; I623-C904 HydrophobicContact CG2-CB 3.62Å; I623-C904 PolarHBondContact O-SG 3.21Å; I623-S905 PolarHBondContact N-O 3.17Å; I623-Q908 WeakPolarHBondContact CD1-O 3.48Å; I623-I910 HydrophobicContact CD1-CD1 4.17Å; I623-I910 HydrophobicContact CD1-CG1 3.6Å; I623-I910 HydrophobicContact CG2-CD1 4.36Å; I623-I910 HydrophobicContact CG2-CG1 4.31Å
624Y90.4Very high80.3Confident62 Ų6229.1 Ų29.124%0.24316%0.158CC..  trans-80.8-34.1-177.1-58.1-40.5000112.6C638 A640 E664 L666Y624-C638 PolarHBondContact N-O 3.27Å; Y624-A640 HydrophobicContact CE2-CB 4.3Å; Y624-E664 HydrophobicContact CE2-CB 3.99Å; Y624-E664 VanDerWaalsContact CE2-OE2 3.25Å; Y624-E664 WeakPolarHBondContact CE2-OE2 3.42Å; Y624-E664 PolarHBondContact OH-OE2 3.27Å; Y624-L666 WeakPolarHBondContact CB-O 3.27Å; Y624-L666 HydrophobicContact CD2-CD2 3.84Å; Y624-L666 HydrophobicContact CE2-CD2 4.04Å
625S93Very high81.4Confident0 Ų027.4 Ų27.40%015%0.149CC..EExtended strand (participates in β ladder)trans-144.6136.4-179.9179.50000112S637 C638 L666 C668 R891S625-S637 WeakPolarHBondContact O-CA 3.2Å; S625-C638 PolarHBondContact N-O 2.82Å; S625-C638 PolarHBondContact O-N 2.95Å; S625-C638 VanDerWaalsContact O-O 3.13Å; S625-L666 WeakPolarHBondContact CB-O 3.47Å; S625-C668 PolarHBondContact OG-N 2.73Å; S625-R891 PolarHBondContact OG-NH1 3.31Å
626A93.4Very high82.4Confident2 Ų225.9 Ų25.92%0.01714%0.14CC..EExtended strand (participates in β ladder)trans-136.1139.6166.400000108.7A636 L902 C904 I910A626-A636 CarbonylContact C-O 3.5Å; A626-A636 VanDerWaalsContact CA-O 3.24Å; A626-A636 WeakPolarHBondContact CA-O 3.4Å; A626-L902 HydrophobicContact CB-CD2 3.83Å; A626-L902 HydrophobicContact CB-CG 4.27Å; A626-C904 HydrophobicContact CB-CB 3.92Å; A626-I910 HydrophobicContact CB-CD1 3.85Å; A626-I910 HydrophobicContact CB-CG1 4.38Å
627C93.6Very high83.4Confident5 Ų525.2 Ų25.23%0.03414%0.136CC..EExtended strand (participates in β ladder)trans-139.9148.4179.5650000113.3I635 A636 C668C627-I635 WeakPolarHBondContact O-CA 3.49Å; C627-A636 PolarHBondContact N-O 3.24Å; C627-A636 PolarHBondContact O-N 3.36Å; C627-C668 PolarHBondContact SG-O 3Å
628F93.6Very high84.5Confident13 Ų1323.7 Ų23.76%0.05713%0.129CC..EExtended strand (participates in β ladder)trans-74.6149.3169-76.4-70.8000111.5I635 F670 Q900 L902 L912F628-I635 HydrophobicContact CD1-CD1 4.43Å; F628-I635 HydrophobicContact CD1-CG1 3.79Å; F628-I635 HydrophobicContact CE1-CD1 4.03Å; F628-I635 HydrophobicContact CE1-CG1 3.9Å; F628-F670 VanDerWaalsContact O-CD2 3.32Å; F628-F670 WeakPolarHBondContact O-CD2 3.46Å; F628-Q900 HydrophobicContact CZ-CB 3.95Å; F628-L902 HydrophobicContact CD2-CB 3.95Å; F628-L902 HydrophobicContact CD2-CD2 4.25Å; F628-L902 HydrophobicContact CE2-CB 3.41Å; F628-L902 VanDerWaalsContact CE2-CB 3.41Å; F628-L902 HydrophobicContact CE2-CD2 4.43Å; F628-L902 HydrophobicContact CE2-CG 4.47Å; F628-L902 HydrophobicContact CZ-CB 3.9Å; F628-L912 HydrophobicContact CE1-CD2 3.65Å; F628-L912 HydrophobicContact CE2-CD2 4.29Å; F628-L912 HydrophobicContact CZ-CD2 3.27Å
629S91.8Very high85.6Confident4 Ų423.3 Ų23.33%0.02813%0.127CC..  trans-64.4156.5157.556.70000110.5D631 G632 T633 R634 D674S629-D631 WeakPolarHBondContact CB-OD1 3.35Å; S629-D631 PolarHBondContact O-N 3.46Å; S629-D631 PolarHBondContact OG-OD1 2.93Å; S629-G632 WeakPolarHBondContact O-CA 3.48Å; S629-G632 PolarHBondContact O-N 3.03Å; S629-G632 PolarHBondContact OG-N 2.74Å; S629-T633 PolarHBondContact OG-N 2.86Å; S629-R634 PolarHBondContact N-O 3.4Å; S629-R634 PolarHBondContact OG-N 3.05Å; S629-R634 PolarHBondContact OG-O 2.95Å; S629-D674 WeakPolarHBondContact CA-OD1 3.44Å; S629-D674 WeakPolarHBondContact CB-OD1 3.45Å
630H86.7Confident86.2Confident64 Ų6423.3 Ų23.330%0.29613%0.127SC..THydrogen-bonded Turntrans-58.4-35.5178.4-158.1100.5000112.3G632 D674 N715 R896H630-G632 VanDerWaalsContact C-N 3.32Å; H630-D674 VanDerWaalsContact CB-OD1 3.31Å; H630-D674 WeakPolarHBondContact CB-OD1 2.96Å; H630-D674 WeakPolarHBondContact CB-OD2 3.26Å; H630-D674 VanDerWaalsContact N-CG 3.31Å; H630-D674 PolarHBondContact N-OD1 3Å; H630-D674 PolarHBondContact N-OD2 2.74Å; H630-D674 VanDerWaalsContact N-OD2 3.14Å; H630-N715 PolarHBondContact CE1-O 3.28Å; H630-R896 PolarHBondContact CE1-NH1 3.15Å; H630-R896 PolarHBondContact ND1-NH1 3.11Å; H630-R896 PolarHBondContact NE2-NE 3.43Å; H630-R896 PolarHBondContact NE2-NH1 3.17Å; H630-R896 VanDerWaalsContact NE2-NH1 3.15Å; H630-R896 PolarHBondContact NE2-NH2 3.25Å
631D84.7Confident86.9Confident81 Ų8121 Ų2143%0.43312%0.117SC..THydrogen-bonded Turntrans-77.3-9.3173.368.517.2000114.7S629 T633 R634 D674S629-D631 WeakPolarHBondContact CB-OD1 3.35Å; S629-D631 PolarHBondContact O-N 3.46Å; S629-D631 PolarHBondContact OG-OD1 2.93Å; D631-T633 HydrophobicContact CB-CG2 4.25Å; D631-T633 PolarHBondContact O-N 3.19Å; D631-T633 WeakPolarHBondContact OD1-CB 3.32Å; D631-T633 PolarHBondContact OD1-N 3.16Å; D631-T633 PolarHBondContact OD1-OG1 3.44Å; D631-T633 PolarHBondContact OD2-OG1 2.99Å; D631-R634 IonicContact OD2-NH2 3.06Å; D631-D674 WeakPolarHBondContact CB-OD2 3.47Å; D631-D674 VanDerWaalsContact CG-OD2 3.23Å; D631-D674 PolarHBondContact N-OD2 3.44Å
632G83.1Confident87.8Confident21 Ų2121.8 Ų21.822%0.21612%0.118CC..SBendtrans71.53.3-177.900000115.6S629 H630 S649S629-G632 WeakPolarHBondContact O-CA 3.48Å; S629-G632 PolarHBondContact O-N 3.03Å; S629-G632 PolarHBondContact OG-N 2.74Å; H630-G632 VanDerWaalsContact C-N 3.32Å; G632-S649 WeakPolarHBondContact O-CB 3.48Å; G632-S649 PolarHBondContact O-OG 3.47Å
633T84.7Confident88.1Confident63 Ų6320.9 Ų20.939%0.38711%0.111SC..SBendtrans-84.5-22.2-176.269.80000113.7S629 D631 S649S629-T633 PolarHBondContact OG-N 2.86Å; D631-T633 HydrophobicContact CB-CG2 4.25Å; D631-T633 PolarHBondContact O-N 3.19Å; D631-T633 WeakPolarHBondContact OD1-CB 3.32Å; D631-T633 PolarHBondContact OD1-N 3.16Å; D631-T633 PolarHBondContact OD1-OG1 3.44Å; D631-T633 PolarHBondContact OD2-OG1 2.99Å; T633-S649 VanDerWaalsContact C-OG 3.29Å; T633-S649 WeakPolarHBondContact CA-OG 3.45Å; T633-S649 PolarHBondContact O-N 3.18Å; T633-S649 PolarHBondContact O-OG 3.11Å; T633-S649 VanDerWaalsContact O-OG 3.12Å
634R88Confident88.3Confident52 Ų5221 Ų2120%0.19611%0.111CC..EExtended strand (participates in β ladder)trans-126.9152.3-174.1-71.5174.6-86.91611.4110.6S629 D631 V646 F647 L655 F670 D674S629-R634 PolarHBondContact N-O 3.4Å; S629-R634 PolarHBondContact OG-N 3.05Å; S629-R634 PolarHBondContact OG-O 2.95Å; D631-R634 IonicContact OD2-NH2 3.06Å; R634-V646 HydrophobicContact CB-CG1 4.28Å; R634-F647 CarbonylContact C-O 3.54Å; R634-F647 VanDerWaalsContact CA-O 3.25Å; R634-F647 WeakPolarHBondContact CA-O 3.32Å; R634-L655 HydrophobicContact CG-CD1 3.8Å; R634-F670 HydrophobicContact CB-CZ 4.29Å; R634-D674 PolarHBondContact NH1-O 3.45Å
635I89.6Confident88.2Confident0 Ų019.4 Ų19.40%011%0.105CC..EExtended strand (participates in β ladder)trans-126.3129.5174.2-63166.7000107C627 F628 V646 F647 L902 L912C627-I635 WeakPolarHBondContact O-CA 3.49Å; F628-I635 HydrophobicContact CD1-CD1 4.43Å; F628-I635 HydrophobicContact CD1-CG1 3.79Å; F628-I635 HydrophobicContact CE1-CD1 4.03Å; F628-I635 HydrophobicContact CE1-CG1 3.9Å; I635-V646 CarbonylContact O-C 3.5Å; I635-V646 VanDerWaalsContact O-CA 3.3Å; I635-V646 WeakPolarHBondContact O-CA 3.39Å; I635-F647 PolarHBondContact N-O 3.1Å; I635-F647 PolarHBondContact O-N 2.89Å; I635-L902 HydrophobicContact CD1-CD1 4.08Å; I635-L902 HydrophobicContact CG2-CD1 4.13Å; I635-L902 HydrophobicContact CG2-CD2 4.02Å; I635-L912 HydrophobicContact CD1-CD1 3.55Å; I635-L912 HydrophobicContact CD1-CD2 3.78Å; I635-L912 HydrophobicContact CD1-CG 3.92Å
636A91.9Very high87.9Confident0 Ų019.6 Ų19.60%011%0.107CC..EExtended strand (participates in β ladder)trans-105.5142169.100000109.5A626 C627 L644 K645 V646 F670 L677A626-A636 CarbonylContact C-O 3.5Å; A626-A636 VanDerWaalsContact CA-O 3.24Å; A626-A636 WeakPolarHBondContact CA-O 3.4Å; C627-A636 PolarHBondContact N-O 3.24Å; C627-A636 PolarHBondContact O-N 3.36Å; A636-L644 HydrophobicContact CB-CD1 4.31Å; A636-K645 WeakPolarHBondContact CA-O 3.35Å; A636-V646 HydrophobicContact CB-CG2 4.31Å; A636-F670 HydrophobicContact CB-CD2 4.23Å; A636-F670 HydrophobicContact CB-CE2 3.34Å; A636-F670 HydrophobicContact CB-CZ 3.64Å; A636-L677 HydrophobicContact CB-CD1 3.46Å; A636-L677 VanDerWaalsContact CB-CD1 3.46Å
637S91.7Very high87.4Confident0 Ų019.9 Ų19.90%011%0.108CC..EExtended strand (participates in β ladder)trans-138.4146.6177660000112H619 S625 K645 F647H619-S637 PolarHBondContact CD2-OG 3.46Å; H619-S637 PolarHBondContact CE1-O 3.36Å; H619-S637 WeakPolarHBondContact NE2-CB 3.45Å; H619-S637 PolarHBondContact NE2-O 3.19Å; H619-S637 VanDerWaalsContact NE2-O 3.1Å; H619-S637 PolarHBondContact NE2-OG 3.25Å; S625-S637 WeakPolarHBondContact O-CA 3.2Å; S637-K645 PolarHBondContact N-O 3.22Å; S637-K645 PolarHBondContact O-N 3.12Å; S637-F647 WeakPolarHBondContact OG-CE2 3.19Å
638C92.3Very high86.4Confident0 Ų024 Ų240%013%0.125CC..EExtended strand (participates in β ladder)trans-146.4161.7176.269.80000110.6I623 Y624 S625 L644 V665 C667 C668I623-C638 WeakPolarHBondContact CG2-O 3.5Å; Y624-C638 PolarHBondContact N-O 3.27Å; S625-C638 PolarHBondContact N-O 2.82Å; S625-C638 PolarHBondContact O-N 2.95Å; S625-C638 VanDerWaalsContact O-O 3.13Å; C638-L644 HydrophobicContact CB-CD1 4.4Å; C638-V665 HydrophobicContact CB-CB 3.8Å; C638-V665 HydrophobicContact CB-CG1 3.56Å; C638-C667 VanDerWaalsContact SG-C 3.52Å; C638-C668 HydrophobicContact CB-CB 4.27Å
639G88.2Confident85.5Confident0 Ų023.5 Ų23.50%012%0.123CC..SBendtrans176.9-146-179.600000112.7S622 S641 K642 V665S622-G639 WeakPolarHBondContact O-CA 3.3Å; G639-S641 PolarHBondContact O-N 3.31Å; G639-S641 VanDerWaalsContact O-N 3.14Å; G639-K642 PolarHBondContact O-N 3.25Å; G639-V665 WeakPolarHBondContact CA-O 3.36Å; G639-V665 PolarHBondContact N-O 3.07Å; G639-V665 PolarHBondContact O-N 3.06Å; G639-V665 VanDerWaalsContact O-N 3.11Å
640A80.8Confident84.4Confident3 Ų327 Ų273%0.02515%0.145CC..THydrogen-bonded Turntrans-67.3-14.4-173.100000114.4K195 S622 Y624 K642K195-A640 PolarHBondContact NZ-O 3.31Å; S622-A640 PolarHBondContact O-N 2.75Å; Y624-A640 HydrophobicContact CE2-CB 4.3Å; A640-K642 PolarHBondContact O-N 3.06Å
641S75.3Confident83Confident26 Ų2626.9 Ų26.918%0.18215%0.151CC..THydrogen-bonded Turntrans-82.95.3179.880.90000113.7H619 L620 G639 T643H619-S641 PolarHBondContact ND1-OG 3.45Å; L620-S641 WeakPolarHBondContact O-CB 3.26Å; G639-S641 PolarHBondContact O-N 3.31Å; G639-S641 VanDerWaalsContact O-N 3.14Å; S641-T643 PolarHBondContact O-N 3.47Å; S641-T643 PolarHBondContact OG-OG1 3.08Å
642K85.5Confident81.9Confident30 Ų3023.8 Ų23.813%0.1314%0.138CC..SBendtrans64-7.7176.7-44.2177.1176.1-167.20115.6D252 G639 A640 A660 H661 D662D252-K642 VanDerWaalsContact CG-NZ 3.29Å; D252-K642 IonicContact OD1-NZ 3.57Å; D252-K642 PolarHBondContact OD1-NZ 2.92Å; D252-K642 VanDerWaalsContact OD1-NZ 3.1Å; D252-K642 IonicContact OD2-NZ 3.27Å; D252-K642 PolarHBondContact OD2-NZ 2.94Å; G639-K642 PolarHBondContact O-N 3.25Å; A640-K642 PolarHBondContact O-N 3.06Å; K642-A660 PolarHBondContact O-N 3.08Å; K642-H661 WeakPolarHBondContact CB-O 3.45Å; K642-H661 PolarHBondContact O-N 3.32Å; K642-D662 VanDerWaalsContact CD-O 3.28Å; K642-D662 WeakPolarHBondContact CD-O 3.43Å; K642-D662 VanDerWaalsContact CE-O 3.25Å; K642-D662 WeakPolarHBondContact CE-O 3.36Å; K642-D662 PolarHBondContact NZ-O 3.35Å
643T85.8Confident81Confident13 Ų1328.5 Ų28.58%0.0816%0.155CC..EExtended strand (participates in β ladder)trans-95.3146.7179.959.10000111.3H619 S641 I658H619-T643 PolarHBondContact CE1-O 2.72Å; H619-T643 VanDerWaalsContact CE1-O 3.24Å; H619-T643 PolarHBondContact ND1-OG1 3.47Å; S641-T643 PolarHBondContact O-N 3.47Å; S641-T643 PolarHBondContact OG-OG1 3.08Å; T643-I658 CarbonylContact C-O 3.53Å; T643-I658 VanDerWaalsContact CA-O 3.29Å; T643-I658 WeakPolarHBondContact CA-O 3.28Å
644L90Very high80.4Confident2 Ų230.3 Ų30.31%0.0116%0.157CC..EExtended strand (participates in β ladder)trans-95.6130161.7173.670.2000108.9A636 C638 I658 A660 C668 L677 T679A636-L644 HydrophobicContact CB-CD1 4.31Å; C638-L644 HydrophobicContact CB-CD1 4.4Å; L644-I658 HydrophobicContact CB-CB 4.47Å; L644-I658 HydrophobicContact CD2-CD1 4.42Å; L644-I658 PolarHBondContact N-O 3.29Å; L644-I658 PolarHBondContact O-N 3.33Å; L644-A660 HydrophobicContact CB-CB 3.89Å; L644-C668 HydrophobicContact CD1-CB 4.11Å; L644-L677 HydrophobicContact CD1-CD1 4.39Å; L644-L677 HydrophobicContact CD1-CD2 3.69Å; L644-L677 HydrophobicContact CD2-CD1 4.25Å; L644-L677 HydrophobicContact CD2-CD2 3.33Å; L644-L677 HydrophobicContact CD2-CG 4.27Å; L644-L677 HydrophobicContact CG-CD2 4.14Å; L644-T679 HydrophobicContact CB-CG2 4.34Å; L644-T679 HydrophobicContact CD1-CG2 4.06Å; L644-T679 HydrophobicContact CD2-CG2 3.93Å; L644-T679 HydrophobicContact CG-CG2 4.33Å
645K87.8Confident79.9Confident28 Ų2832.1 Ų32.112%0.12217%0.17CC..EExtended strand (participates in β ladder)trans-123.6143174.5-63.3-173.7-169.1-1630110.8P618 A636 S637 F647 M656 E657P618-K645 HydrophobicContact CB-CD 4.42Å; P618-K645 WeakPolarHBondContact O-CD 3.21Å; P618-K645 WeakPolarHBondContact O-CE 3.24Å; P618-K645 PolarHBondContact O-NZ 2.84Å; A636-K645 WeakPolarHBondContact CA-O 3.35Å; S637-K645 PolarHBondContact N-O 3.22Å; S637-K645 PolarHBondContact O-N 3.12Å; K645-F647 HydrophobicContact CB-CD2 4.47Å; K645-F647 HydrophobicContact CB-CE2 3.4Å; K645-F647 VanDerWaalsContact CB-CE2 3.4Å; K645-F647 HydrophobicContact CB-CZ 3.48Å; K645-F647 VanDerWaalsContact CB-CZ 3.48Å; K645-F647 HydrophobicContact CD-CZ 3.94Å; K645-F647 HydrophobicContact CG-CZ 4.33Å; K645-M656 WeakPolarHBondContact CA-O 3.38Å; K645-E657 WeakPolarHBondContact CE-OE1 3.41Å; K645-E657 HydrophobicContact CG-CB 4.4Å; K645-E657 HydrophobicContact CG-CG 4.17Å; K645-E657 IonicContact NZ-OE1 3.16Å; K645-E657 PolarHBondContact NZ-OE1 3.36Å
646V87.8Confident79.5Confident5 Ų534.2 Ų34.23%0.0318%0.181CC..EExtended strand (participates in β ladder)trans-123.1130.7178.6-174.90000109.4R634 I635 A636 L655 M656 F670 L677R634-V646 HydrophobicContact CB-CG1 4.28Å; I635-V646 CarbonylContact O-C 3.5Å; I635-V646 VanDerWaalsContact O-CA 3.3Å; I635-V646 WeakPolarHBondContact O-CA 3.39Å; A636-V646 HydrophobicContact CB-CG2 4.31Å; V646-L655 HydrophobicContact CG1-CD1 4.5Å; V646-L655 WeakPolarHBondContact O-CB 3.35Å; V646-L655 PolarHBondContact O-N 3.09Å; V646-M656 HydrophobicContact CB-CB 4.2Å; V646-M656 PolarHBondContact N-O 3.35Å; V646-M656 PolarHBondContact O-N 3.39Å; V646-F670 HydrophobicContact CG1-CZ 4.41Å; V646-L677 HydrophobicContact CG2-CD1 4.43Å
647F82.2Confident79.1Confident8 Ų838.6 Ų38.64%0.03520%0.201CC..EExtended strand (participates in β ladder)trans-123.3158.1-176-55.9-86.2000110.9I616 P618 R634 I635 S637 K645 G652 E653 K654I616-F647 HydrophobicContact CD1-CB 4.28Å; I616-F647 HydrophobicContact CD1-CG 4.41Å; I616-F647 HydrophobicContact CG2-CD1 4.13Å; I616-F647 HydrophobicContact CG2-CE1 4.13Å; I616-F647 HydrophobicContact CG2-CG 4.45Å; I616-F647 HydrophobicContact CG2-CZ 4.47Å; P618-F647 HydrophobicContact CB-CD2 4.49Å; P618-F647 HydrophobicContact CB-CE1 4.16Å; P618-F647 HydrophobicContact CB-CE2 3.38Å; P618-F647 HydrophobicContact CB-CZ 3.17Å; P618-F647 HydrophobicContact CG-CE2 4.41Å; R634-F647 CarbonylContact C-O 3.54Å; R634-F647 VanDerWaalsContact CA-O 3.25Å; R634-F647 WeakPolarHBondContact CA-O 3.32Å; I635-F647 PolarHBondContact N-O 3.1Å; I635-F647 PolarHBondContact O-N 2.89Å; S637-F647 WeakPolarHBondContact OG-CE2 3.19Å; K645-F647 HydrophobicContact CB-CD2 4.47Å; K645-F647 HydrophobicContact CB-CE2 3.4Å; K645-F647 VanDerWaalsContact CB-CE2 3.4Å; K645-F647 HydrophobicContact CB-CZ 3.48Å; K645-F647 VanDerWaalsContact CB-CZ 3.48Å; K645-F647 HydrophobicContact CD-CZ 3.94Å; K645-F647 HydrophobicContact CG-CZ 4.33Å; F647-G652 WeakPolarHBondContact CD1-O 3.3Å; F647-E653 CarbonylContact C-O 3.56Å; F647-E653 VanDerWaalsContact CA-O 3.27Å; F647-E653 WeakPolarHBondContact CA-O 3.48Å; F647-K654 HydrophobicContact CD1-CB 3.96Å; F647-K654 HydrophobicContact CD1-CG 4.27Å; F647-K654 HydrophobicContact CE1-CB 3.75Å; F647-K654 HydrophobicContact CE1-CD 4.41Å; F647-K654 HydrophobicContact CE1-CG 3.79Å; F647-K654 HydrophobicContact CZ-CG 4.38Å
648K73.9Confident78.9Confident90 Ų9039.4 Ų39.439%0.39121%0.205SC..EExtended strand (participates in β ladder)trans-79.9128.1166.6-167.3176.6-177-177.90109.9T650 G652 E653 L655K648-T650 VanDerWaalsContact C-N 3.25Å; K648-T650 VanDerWaalsContact CE-OG1 3.26Å; K648-T650 WeakPolarHBondContact CE-OG1 3.5Å; K648-T650 PolarHBondContact O-N 2.94Å; K648-G652 WeakPolarHBondContact O-CA 3.47Å; K648-G652 PolarHBondContact O-N 3.01Å; K648-E653 PolarHBondContact N-O 3.04Å; K648-L655 HydrophobicContact CB-CD1 4.36Å; K648-L655 HydrophobicContact CB-CG 4.46Å
649S73.2Confident78.6Confident4 Ų444.9 Ų44.93%0.02823%0.231CC..THydrogen-bonded Turntrans-63.7-29.5-176.863.20000113.2G632 T633 L912G632-S649 WeakPolarHBondContact O-CB 3.48Å; G632-S649 PolarHBondContact O-OG 3.47Å; T633-S649 VanDerWaalsContact C-OG 3.29Å; T633-S649 WeakPolarHBondContact CA-OG 3.45Å; T633-S649 PolarHBondContact O-N 3.18Å; T633-S649 PolarHBondContact O-OG 3.11Å; T633-S649 VanDerWaalsContact O-OG 3.12Å; S649-L912 WeakPolarHBondContact O-CD1 3.31Å
650T69.1Low78.5Confident78 Ų7844.9 Ų44.948%0.47923%0.231SC..THydrogen-bonded Turntrans-77.7-37.3-176.259.70000114.3K648K648-T650 VanDerWaalsContact C-N 3.25Å; K648-T650 VanDerWaalsContact CE-OG1 3.26Å; K648-T650 WeakPolarHBondContact CE-OG1 3.5Å; K648-T650 PolarHBondContact O-N 2.94Å
651S57.6Low78.8Confident60 Ų6044.8 Ų44.842%0.4223%0.23SC..THydrogen-bonded Turntrans-119-14.7-170.5560000113.9E653S651-E653 PolarHBondContact O-N 3.16Å; S651-E653 WeakPolarHBondContact OG-CB 3.48Å; S651-E653 PolarHBondContact OG-N 2.83Å
652G60.9Low79.1Confident17 Ų1748.8 Ų48.818%0.17525%0.25CC..  trans72.38.1-172.100000114F647 K648 K654F647-G652 WeakPolarHBondContact CD1-O 3.3Å; K648-G652 WeakPolarHBondContact O-CA 3.47Å; K648-G652 PolarHBondContact O-N 3.01Å; G652-K654 PolarHBondContact O-N 3.07Å
653E64Low79Confident120 Ų12048.6 Ų48.656%0.56125%0.249SC*.  trans-64.1130.2178.1-173.6-179176.700110.5F647 K648 S651 L655F647-E653 CarbonylContact C-O 3.56Å; F647-E653 VanDerWaalsContact CA-O 3.27Å; F647-E653 WeakPolarHBondContact CA-O 3.48Å; K648-E653 PolarHBondContact N-O 3.04Å; S651-E653 PolarHBondContact O-N 3.16Å; S651-E653 WeakPolarHBondContact OG-CB 3.48Å; S651-E653 PolarHBondContact OG-N 2.83Å; E653-L655 PolarHBondContact O-N 3.4Å
654K73.3Confident79Confident100 Ų10050 Ų5044%0.43526%0.255SS..EExtended strand (participates in β ladder)trans-71.8115.7177.6-169.8-17976.7179.10109.9F647 G652 E657F647-K654 HydrophobicContact CD1-CB 3.96Å; F647-K654 HydrophobicContact CD1-CG 4.27Å; F647-K654 HydrophobicContact CE1-CB 3.75Å; F647-K654 HydrophobicContact CE1-CD 4.41Å; F647-K654 HydrophobicContact CE1-CG 3.79Å; F647-K654 HydrophobicContact CZ-CG 4.38Å; G652-K654 PolarHBondContact O-N 3.07Å; K654-E657 HydrophobicContact CD-CB 4.32Å; K654-E657 IonicContact NZ-OE2 3.15Å; K654-E657 PolarHBondContact NZ-OE2 2.97Å
655L77.3Confident79.2Confident90 Ų9049.9 Ų49.947%0.47125%0.254SS..EExtended strand (participates in β ladder)trans-87.5-39.6176.5-60.9175.9000111.6R634 V646 K648 E653R634-L655 HydrophobicContact CG-CD1 3.8Å; V646-L655 HydrophobicContact CG1-CD1 4.5Å; V646-L655 WeakPolarHBondContact O-CB 3.35Å; V646-L655 PolarHBondContact O-N 3.09Å; K648-L655 HydrophobicContact CB-CD1 4.36Å; K648-L655 HydrophobicContact CB-CG 4.46Å; E653-L655 PolarHBondContact O-N 3.4Å
656M80.1Confident79.4Confident45 Ų4550.1 Ų50.122%0.22226%0.257CS..EExtended strand (participates in β ladder)trans-152.1148.2-172.8-169.8169.1-72.400112.2K645 V646 I658 I691 G694K645-M656 WeakPolarHBondContact CA-O 3.38Å; V646-M656 HydrophobicContact CB-CB 4.2Å; V646-M656 PolarHBondContact N-O 3.35Å; V646-M656 PolarHBondContact O-N 3.39Å; M656-I658 HydrophobicContact CG-CD1 4.24Å; M656-I658 HydrophobicContact CG-CG1 3.86Å; M656-I658 HydrophobicContact SD-CD1 3.7Å; M656-I658 HydrophobicContact SD-CG1 4Å; M656-I691 WeakPolarHBondContact CE-O 3.3Å; M656-G694 VanDerWaalsContact SD-CA 3.55Å
657E85.1Confident79.7Confident91 Ų9150 Ų5043%0.42526%0.256SS..EExtended strand (participates in β ladder)trans-137.4124.3172.9178.3166.1-149.500108.8K645 K654K645-E657 WeakPolarHBondContact CE-OE1 3.41Å; K645-E657 HydrophobicContact CG-CB 4.4Å; K645-E657 HydrophobicContact CG-CG 4.17Å; K645-E657 IonicContact NZ-OE1 3.16Å; K645-E657 PolarHBondContact NZ-OE1 3.36Å; K654-E657 HydrophobicContact CD-CB 4.32Å; K654-E657 IonicContact NZ-OE2 3.15Å; K654-E657 PolarHBondContact NZ-OE2 2.97Å
658I86.8Confident80.3Confident18 Ų1849.7 Ų49.79%0.09225%0.254CS..EExtended strand (participates in β ladder)trans-127.8129.9-178.3-53.3-177.2000108.2T643 L644 M656 A660 W689T643-I658 CarbonylContact C-O 3.53Å; T643-I658 VanDerWaalsContact CA-O 3.29Å; T643-I658 WeakPolarHBondContact CA-O 3.28Å; L644-I658 HydrophobicContact CB-CB 4.47Å; L644-I658 HydrophobicContact CD2-CD1 4.42Å; L644-I658 PolarHBondContact N-O 3.29Å; L644-I658 PolarHBondContact O-N 3.33Å; M656-I658 HydrophobicContact CG-CD1 4.24Å; M656-I658 HydrophobicContact CG-CG1 3.86Å; M656-I658 HydrophobicContact SD-CD1 3.7Å; M656-I658 HydrophobicContact SD-CG1 4Å; I658-A660 PolarHBondContact O-N 3.15Å; I658-W689 HydrophobicContact CD1-CD2 4.47Å; I658-W689 HydrophobicContact CD1-CE3 4.22Å; I658-W689 HydrophobicContact CG2-CD2 4.27Å; I658-W689 HydrophobicContact CG2-CE3 3.75Å; I658-W689 HydrophobicContact CG2-CH2 3.79Å; I658-W689 HydrophobicContact CG2-CZ2 4.32Å; I658-W689 HydrophobicContact CG2-CZ3 3.48Å; I658-W689 VanDerWaalsContact CG2-CZ3 3.48Å
659Q86Confident81.3Confident114 Ų11445.9 Ų45.953%0.53324%0.24SC..EExtended strand (participates in β ladder)trans-69.999.4164.4-172.367.825.900108.1H661Q659-H661 PolarHBondContact NE2-O 3.32Å; Q659-H661 VanDerWaalsContact NE2-O 3.13Å
660A85.4Confident82.4Confident1 Ų146.7 Ų46.71%0.00824%0.243CC..  trans-82.5-51-168.900000111K642 L644 I658 V665 T679 K687 W689K642-A660 PolarHBondContact O-N 3.08Å; L644-A660 HydrophobicContact CB-CB 3.89Å; I658-A660 PolarHBondContact O-N 3.15Å; A660-V665 HydrophobicContact CB-CG2 4.21Å; A660-T679 HydrophobicContact CB-CG2 4.49Å; A660-K687 WeakPolarHBondContact O-CD 3.37Å; A660-K687 PolarHBondContact O-NZ 3.44Å; A660-W689 HydrophobicContact CB-CZ2 4.03Å; A660-W689 WeakPolarHBondContact O-CZ2 3.45Å
661H89Confident83.5Confident1 Ų143 Ų431%0.00522%0.221CC..  trans-135.2169.5-175-68.4-98000111.7K642 Q659 V665 T679 S681 D683 K685K642-H661 WeakPolarHBondContact CB-O 3.45Å; K642-H661 PolarHBondContact O-N 3.32Å; Q659-H661 PolarHBondContact NE2-O 3.32Å; Q659-H661 VanDerWaalsContact NE2-O 3.13Å; H661-V665 HydrophobicContact CB-CG2 4.04Å; H661-T679 PolarHBondContact NE2-OG1 2.92Å; H661-S681 VanDerWaalsContact ND1-CB 3.34Å; H661-S681 WeakPolarHBondContact ND1-CB 3.44Å; H661-D683 WeakPolarHBondContact CB-OD2 3.41Å; H661-D683 IonicContact CE1-OD1 3.82Å; H661-D683 IonicContact CE1-OD2 2.65Å; H661-D683 IonicContact CG-OD2 3.75Å; H661-D683 VanDerWaalsContact ND1-CG 3.29Å; H661-D683 IonicContact ND1-OD1 2.59Å; H661-D683 PolarHBondContact ND1-OD1 3.38Å; H661-D683 VanDerWaalsContact ND1-OD1 3.16Å; H661-D683 IonicContact ND1-OD2 3Å; H661-D683 PolarHBondContact ND1-OD2 2.99Å; H661-K685 PolarHBondContact CE1-O 3.47Å
662D80.9Confident85Confident110 Ų11041 Ų4159%0.58821%0.206SC*.SBendtrans-88.9-15.4176.4-59.4-38.9000111.7K642K642-D662 VanDerWaalsContact CD-O 3.28Å; K642-D662 WeakPolarHBondContact CD-O 3.43Å; K642-D662 VanDerWaalsContact CE-O 3.25Å; K642-D662 WeakPolarHBondContact CE-O 3.36Å; K642-D662 PolarHBondContact NZ-O 3.35Å
663E82.8Confident86.3Confident26 Ų2643.5 Ų43.512%0.12122%0.215CC..SBendtrans-122.5-178.9174.5-70.7-78.2-175.900110.7S253 K257 S681 D683S253-E663 WeakPolarHBondContact CB-OE1 3.34Å; S253-E663 PolarHBondContact OG-OE1 3.16Å; K257-E663 IonicContact NZ-OE2 2.83Å; E663-S681 PolarHBondContact O-OG 3.04Å; E663-D683 HydrophobicContact CB-CB 4.03Å; E663-D683 HydrophobicContact CG-CB 4.2Å
664E86.5Confident87.5Confident42 Ų4238.2 Ų38.220%0.19619%0.191CC..  trans-63.7139.6-177-50.3-167.2156.200112.2K195 Y624 S681 S682K195-E664 IonicContact NZ-OE1 3.74Å; K195-E664 PolarHBondContact NZ-OE1 3.07Å; Y624-E664 HydrophobicContact CE2-CB 3.99Å; Y624-E664 VanDerWaalsContact CE2-OE2 3.25Å; Y624-E664 WeakPolarHBondContact CE2-OE2 3.42Å; Y624-E664 PolarHBondContact OH-OE2 3.27Å; E664-S681 VanDerWaalsContact O-CA 3.29Å; E664-S681 WeakPolarHBondContact O-CA 3.43Å; E664-S681 VanDerWaalsContact O-CB 3.25Å; E664-S681 WeakPolarHBondContact O-CB 3.47Å; E664-S681 PolarHBondContact O-OG 3.47Å; E664-S682 PolarHBondContact O-N 3.37Å
665V93.3Very high88.2Confident0 Ų037.5 Ų37.50%019%0.189CC..EExtended strand (participates in β ladder)trans-97.9116.1-178.5-172.90000108.3C638 G639 A660 H661 T679 C680C638-V665 HydrophobicContact CB-CB 3.8Å; C638-V665 HydrophobicContact CB-CG1 3.56Å; G639-V665 WeakPolarHBondContact CA-O 3.36Å; G639-V665 PolarHBondContact N-O 3.07Å; G639-V665 PolarHBondContact O-N 3.06Å; G639-V665 VanDerWaalsContact O-N 3.11Å; A660-V665 HydrophobicContact CB-CG2 4.21Å; H661-V665 HydrophobicContact CB-CG2 4.04Å; V665-T679 HydrophobicContact CG1-CG2 4.31Å; V665-C680 WeakPolarHBondContact CG1-O 3Å
666L92.7Very high88.9Confident33 Ų3334.1 Ų34.117%0.17317%0.171CC..EExtended strand (participates in β ladder)trans-85.1-38.8-170.9-60.5179.9000112Y624 S625 C680 Q707 V708Y624-L666 WeakPolarHBondContact CB-O 3.27Å; Y624-L666 HydrophobicContact CD2-CD2 3.84Å; Y624-L666 HydrophobicContact CE2-CD2 4.04Å; S625-L666 WeakPolarHBondContact CB-O 3.47Å; L666-C680 PolarHBondContact N-O 3.24Å; L666-Q707 HydrophobicContact CD1-CB 4.39Å; L666-V708 WeakPolarHBondContact CD1-O 3.33Å
667C94.7Very high89.6Confident2 Ų232 Ų321%0.01416%0.161CC..EExtended strand (participates in β ladder)trans-142.4151.2179.6-176.20000112.2C638 T679 C680 C711 R891C638-C667 VanDerWaalsContact SG-C 3.52Å; C667-T679 WeakPolarHBondContact O-CA 3.46Å; C667-C680 VanDerWaalsContact CB-SG 3.56Å; C667-C680 PolarHBondContact N-O 3.33Å; C667-C680 PolarHBondContact O-N 2.87Å; C667-C680 VanDerWaalsContact O-N 3.09Å; C667-C711 PolarHBondContact SG-O 3.17Å; C667-R891 PolarHBondContact SG-NH1 3.2Å
668C94.9Very high90Very high1 Ų127.7 Ų27.71%0.00714%0.141CC..EExtended strand (participates in β ladder)trans-136.2146169.263.20000110.4S625 C627 C638 L644 L677 A678 T679S625-C668 PolarHBondContact OG-N 2.73Å; C627-C668 PolarHBondContact SG-O 3Å; C638-C668 HydrophobicContact CB-CB 4.27Å; L644-C668 HydrophobicContact CD1-CB 4.11Å; C668-L677 HydrophobicContact CB-CD2 4.09Å; C668-A678 CarbonylContact C-O 3.56Å; C668-A678 WeakPolarHBondContact CA-O 3.12Å; C668-T679 HydrophobicContact CB-CG2 4.2Å
669A94.9Very high90.4Very high11 Ų1126.8 Ų26.89%0.09114%0.136CC..EExtended strand (participates in β ladder)trans-145.3138.517800000112.3L677 A678 C711 F713A669-L677 WeakPolarHBondContact O-CA 3.16Å; A669-A678 PolarHBondContact N-O 2.88Å; A669-A678 PolarHBondContact O-N 2.99Å; A669-C711 WeakPolarHBondContact CB-O 3.12Å; A669-F713 HydrophobicContact CB-CD2 4.31Å; A669-F713 WeakPolarHBondContact O-CE2 3.43Å
670F94.8Very high90.8Very high21 Ų2121.4 Ų21.49%0.09211%0.111CC..EExtended strand (participates in β ladder)trans-78.8148.1170.1-77.8-86000111.3F628 R634 A636 V646 L677 I691 F713F628-F670 VanDerWaalsContact O-CD2 3.32Å; F628-F670 WeakPolarHBondContact O-CD2 3.46Å; R634-F670 HydrophobicContact CB-CZ 4.29Å; A636-F670 HydrophobicContact CB-CD2 4.23Å; A636-F670 HydrophobicContact CB-CE2 3.34Å; A636-F670 HydrophobicContact CB-CZ 3.64Å; V646-F670 HydrophobicContact CG1-CZ 4.41Å; F670-L677 HydrophobicContact CD1-CD1 4.06Å; F670-L677 HydrophobicContact CD2-CD1 4.4Å; F670-L677 HydrophobicContact CE1-CD1 3.77Å; F670-L677 HydrophobicContact CE2-CD1 4.14Å; F670-L677 HydrophobicContact CG-CD1 4.37Å; F670-L677 HydrophobicContact CZ-CD1 3.8Å; F670-I691 HydrophobicContact CD1-CD1 3.53Å; F670-I691 HydrophobicContact CE1-CD1 3.41Å; F670-I691 VanDerWaalsContact CE1-CD1 3.41Å; F670-I691 HydrophobicContact CE1-CG1 4.45Å; F670-F713 VanDerWaalsContact C-CD2 3.48Å; F670-F713 WeakPolarHBondContact O-CD2 3.49Å
671S93Very high91.2Very high1 Ų121.3 Ų21.31%0.00711%0.11CC..  trans-74.2160.2165.256.50000111.6D673 D674 L676S671-D673 WeakPolarHBondContact CB-OD1 3.15Å; S671-D673 PolarHBondContact O-N 3.06Å; S671-D673 PolarHBondContact OG-OD1 3.38Å; S671-D674 PolarHBondContact O-N 3.41Å; S671-L676 PolarHBondContact N-O 3.38Å; S671-L676 WeakPolarHBondContact OG-CA 3.13Å; S671-L676 WeakPolarHBondContact OG-CB 3.22Å; S671-L676 PolarHBondContact OG-N 2.66Å; S671-L676 PolarHBondContact OG-O 3.5Å; S671-L676 VanDerWaalsContact OG-O 3.13Å
672P88.6Confident91.1Very high16 Ų1622.8 Ų22.810%0.10412%0.12CC..THydrogen-bonded Turntrans-55.1-25.1177.9-32.238.8000116.1T714P672-T714 WeakPolarHBondContact CD-O 3.32Å; P672-T714 WeakPolarHBondContact CG-O 3.49Å
673D87.5Confident91.3Very high71 Ų7118.8 Ų18.838%0.3810%0.099SC..THydrogen-bonded Turntrans-971.4-179.764.1-13.9000113.4S671 H675S671-D673 WeakPolarHBondContact CB-OD1 3.15Å; S671-D673 PolarHBondContact O-N 3.06Å; S671-D673 PolarHBondContact OG-OD1 3.38Å; D673-H675 PolarHBondContact O-N 3.1Å; D673-H675 PolarHBondContact O-ND1 3.33Å; D673-H675 PolarHBondContact OD1-N 3.43Å; D673-H675 IonicContact OD2-CD2 3.78Å; D673-H675 PolarHBondContact OD2-CD2 2.91Å; D673-H675 IonicContact OD2-CG 2.79Å
674D89.4Confident91.6Very high8 Ų823.4 Ų23.44%0.04312%0.116CC..SBendtrans55.519.8-179.3-64.9-36.4000115.2S629 H630 D631 R634 S671 I691S629-D674 WeakPolarHBondContact CA-OD1 3.44Å; S629-D674 WeakPolarHBondContact CB-OD1 3.45Å; H630-D674 VanDerWaalsContact CB-OD1 3.31Å; H630-D674 WeakPolarHBondContact CB-OD1 2.96Å; H630-D674 WeakPolarHBondContact CB-OD2 3.26Å; H630-D674 VanDerWaalsContact N-CG 3.31Å; H630-D674 PolarHBondContact N-OD1 3Å; H630-D674 PolarHBondContact N-OD2 2.74Å; H630-D674 VanDerWaalsContact N-OD2 3.14Å; D631-D674 WeakPolarHBondContact CB-OD2 3.47Å; D631-D674 VanDerWaalsContact CG-OD2 3.23Å; D631-D674 PolarHBondContact N-OD2 3.44Å; R634-D674 PolarHBondContact NH1-O 3.45Å; S671-D674 PolarHBondContact O-N 3.41Å; D674-I691 VanDerWaalsContact O-CD1 3.25Å; D674-I691 WeakPolarHBondContact O-CD1 3.42Å
675H89Confident91.7Very high85 Ų8524 Ų2439%0.39412%0.118SC..SBendtrans-94.9-29.8178-69.1-23.3000112.6D673 I691D673-H675 PolarHBondContact O-N 3.1Å; D673-H675 PolarHBondContact O-ND1 3.33Å; D673-H675 PolarHBondContact OD1-N 3.43Å; D673-H675 IonicContact OD2-CD2 3.78Å; D673-H675 PolarHBondContact OD2-CD2 2.91Å; D673-H675 IonicContact OD2-CG 2.79Å; H675-I691 PolarHBondContact O-N 3.32Å
676L92.3Very high91.7Very high19 Ų1924 Ų2410%0.09912%0.118CC..EExtended strand (participates in β ladder)trans-115.7152.9-179.2-55.3177000111.2S671 V688 W689 N690 L697 L720 L738S671-L676 PolarHBondContact N-O 3.38Å; S671-L676 WeakPolarHBondContact OG-CA 3.13Å; S671-L676 WeakPolarHBondContact OG-CB 3.22Å; S671-L676 PolarHBondContact OG-N 2.66Å; S671-L676 PolarHBondContact OG-O 3.5Å; S671-L676 VanDerWaalsContact OG-O 3.13Å; L676-V688 HydrophobicContact CB-CG1 4.24Å; L676-V688 HydrophobicContact CD1-CG1 4.48Å; L676-W689 CarbonylContact C-O 3.44Å; L676-W689 VanDerWaalsContact CA-O 3.29Å; L676-W689 WeakPolarHBondContact CA-O 3.22Å; L676-N690 HydrophobicContact CD2-CB 4.5Å; L676-L697 HydrophobicContact CD2-CD1 4.2Å; L676-L697 HydrophobicContact CD2-CD2 4.44Å; L676-L720 HydrophobicContact CD1-CD2 3.93Å; L676-L738 HydrophobicContact CD1-CD1 3.53Å
677L93.9Very high91.7Very high1 Ų123.5 Ų23.51%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-138.7127.6175.3-162.5147000109.8A636 L644 V646 C668 A669 F670 T679 V688 W689 I691A636-L677 HydrophobicContact CB-CD1 3.46Å; A636-L677 VanDerWaalsContact CB-CD1 3.46Å; L644-L677 HydrophobicContact CD1-CD1 4.39Å; L644-L677 HydrophobicContact CD1-CD2 3.69Å; L644-L677 HydrophobicContact CD2-CD1 4.25Å; L644-L677 HydrophobicContact CD2-CD2 3.33Å; L644-L677 HydrophobicContact CD2-CG 4.27Å; L644-L677 HydrophobicContact CG-CD2 4.14Å; V646-L677 HydrophobicContact CG2-CD1 4.43Å; C668-L677 HydrophobicContact CB-CD2 4.09Å; A669-L677 WeakPolarHBondContact O-CA 3.16Å; F670-L677 HydrophobicContact CD1-CD1 4.06Å; F670-L677 HydrophobicContact CD2-CD1 4.4Å; F670-L677 HydrophobicContact CE1-CD1 3.77Å; F670-L677 HydrophobicContact CE2-CD1 4.14Å; F670-L677 HydrophobicContact CG-CD1 4.37Å; F670-L677 HydrophobicContact CZ-CD1 3.8Å; L677-T679 HydrophobicContact CD2-CG2 3.7Å; L677-V688 CarbonylContact O-C 3.51Å; L677-V688 WeakPolarHBondContact O-CA 3.24Å; L677-W689 PolarHBondContact N-O 2.88Å; L677-W689 PolarHBondContact O-N 3.21Å; L677-I691 HydrophobicContact CB-CD1 3.97Å; L677-I691 HydrophobicContact CB-CG1 3.89Å; L677-I691 HydrophobicContact CD1-CD1 4.41Å
678A94.4Very high91.7Very high0 Ų023.4 Ų23.40%011%0.113CC..EExtended strand (participates in β ladder)trans-100.9138.7177.200000110.2C668 A669 K687 V688 F713 L722C668-A678 CarbonylContact C-O 3.56Å; C668-A678 WeakPolarHBondContact CA-O 3.12Å; A669-A678 PolarHBondContact N-O 2.88Å; A669-A678 PolarHBondContact O-N 2.99Å; A678-K687 CarbonylContact C-O 3.36Å; A678-K687 WeakPolarHBondContact CA-O 3.15Å; A678-V688 HydrophobicContact CB-CG2 4.3Å; A678-F713 HydrophobicContact CB-CD2 4.32Å; A678-F713 HydrophobicContact CB-CE2 3.42Å; A678-F713 VanDerWaalsContact CB-CE2 3.42Å; A678-F713 HydrophobicContact CB-CZ 3.7Å; A678-L722 HydrophobicContact CB-CD1 3.68Å; A678-L722 HydrophobicContact CB-CD2 3.98Å
679T95.3Very high91.6Very high0 Ų024.2 Ų24.20%012%0.116CC..EExtended strand (participates in β ladder)trans-126.3140.1173.356.90000109.8L644 A660 H661 V665 C667 C668 L677 V686 K687 W689L644-T679 HydrophobicContact CB-CG2 4.34Å; L644-T679 HydrophobicContact CD1-CG2 4.06Å; L644-T679 HydrophobicContact CD2-CG2 3.93Å; L644-T679 HydrophobicContact CG-CG2 4.33Å; A660-T679 HydrophobicContact CB-CG2 4.49Å; H661-T679 PolarHBondContact NE2-OG1 2.92Å; V665-T679 HydrophobicContact CG1-CG2 4.31Å; C667-T679 WeakPolarHBondContact O-CA 3.46Å; C668-T679 HydrophobicContact CB-CG2 4.2Å; L677-T679 HydrophobicContact CD2-CG2 3.7Å; T679-V686 WeakPolarHBondContact O-CA 3.24Å; T679-K687 PolarHBondContact N-O 2.88Å; T679-K687 PolarHBondContact O-N 3.43Å; T679-W689 PolarHBondContact OG1-NE1 2.95Å
680C93.8Very high91.4Very high0 Ų025.1 Ų25.10%012%0.12CC..EExtended strand (participates in β ladder)trans-127.8147.1172.770.40000110.5V665 L666 C667 V686 V708 C711V665-C680 WeakPolarHBondContact CG1-O 3Å; L666-C680 PolarHBondContact N-O 3.24Å; C667-C680 VanDerWaalsContact CB-SG 3.56Å; C667-C680 PolarHBondContact N-O 3.33Å; C667-C680 PolarHBondContact O-N 2.87Å; C667-C680 VanDerWaalsContact O-N 3.09Å; C680-V686 HydrophobicContact CB-CG2 4.12Å; C680-V708 HydrophobicContact CB-CB 3.88Å; C680-V708 HydrophobicContact CB-CG1 3.6Å; C680-V708 PolarHBondContact SG-O 3.46Å; C680-C711 HydrophobicContact CB-CB 4.21Å
681S92.9Very high90.9Very high0 Ų024.9 Ų24.90%012%0.119CC..EExtended strand (participates in β ladder)trans-140.9164.1-166.8171.70000112.4H661 E663 E664 D683 R684 K685 V708H661-S681 VanDerWaalsContact ND1-CB 3.34Å; H661-S681 WeakPolarHBondContact ND1-CB 3.44Å; E663-S681 PolarHBondContact O-OG 3.04Å; E664-S681 VanDerWaalsContact O-CA 3.29Å; E664-S681 WeakPolarHBondContact O-CA 3.43Å; E664-S681 VanDerWaalsContact O-CB 3.25Å; E664-S681 WeakPolarHBondContact O-CB 3.47Å; E664-S681 PolarHBondContact O-OG 3.47Å; S681-D683 VanDerWaalsContact CB-OD1 3.25Å; S681-D683 WeakPolarHBondContact CB-OD1 3.49Å; S681-D683 PolarHBondContact O-N 3.48Å; S681-D683 PolarHBondContact OG-N 3.03Å; S681-D683 PolarHBondContact OG-OD1 3.34Å; S681-R684 PolarHBondContact O-N 2.54Å; S681-K685 PolarHBondContact N-O 3.05Å; S681-V708 PolarHBondContact O-N 3.22Å
682S88.1Confident90.4Very high31 Ų3131.9 Ų31.922%0.21715%0.152CC..THydrogen-bonded Turntrans-61.3-13.9167.6-1780000113.4E664 R684E664-S682 PolarHBondContact O-N 3.37Å; S682-R684 PolarHBondContact O-N 2.73Å
683D84.3Confident89.9Confident27 Ų2737.2 Ų37.214%0.14418%0.175CC..THydrogen-bonded Turntrans-72.53.5172.273.1-1.2000114H661 E663 S681 K685H661-D683 WeakPolarHBondContact CB-OD2 3.41Å; H661-D683 IonicContact CE1-OD1 3.82Å; H661-D683 IonicContact CE1-OD2 2.65Å; H661-D683 IonicContact CG-OD2 3.75Å; H661-D683 VanDerWaalsContact ND1-CG 3.29Å; H661-D683 IonicContact ND1-OD1 2.59Å; H661-D683 PolarHBondContact ND1-OD1 3.38Å; H661-D683 VanDerWaalsContact ND1-OD1 3.16Å; H661-D683 IonicContact ND1-OD2 3Å; H661-D683 PolarHBondContact ND1-OD2 2.99Å; E663-D683 HydrophobicContact CB-CB 4.03Å; E663-D683 HydrophobicContact CG-CB 4.2Å; S681-D683 VanDerWaalsContact CB-OD1 3.25Å; S681-D683 WeakPolarHBondContact CB-OD1 3.49Å; S681-D683 PolarHBondContact O-N 3.48Å; S681-D683 PolarHBondContact OG-N 3.03Å; S681-D683 PolarHBondContact OG-OD1 3.34Å; D683-K685 PolarHBondContact O-N 3.09Å; D683-K685 WeakPolarHBondContact OD1-CA 3.44Å; D683-K685 VanDerWaalsContact OD1-CB 3.25Å; D683-K685 WeakPolarHBondContact OD1-CB 3.42Å; D683-K685 PolarHBondContact OD1-N 2.8Å
684R88.5Confident89.5Confident123 Ų12335 Ų3546%0.46417%0.169SC..SBendtrans71.28.8179.8-44.4167.9176-173.3-9.8113.7S681 S682 E705 E706S681-R684 PolarHBondContact O-N 2.54Å; S682-R684 PolarHBondContact O-N 2.73Å; R684-E705 WeakPolarHBondContact CD-O 3.44Å; R684-E705 PolarHBondContact NE-O 3.13Å; R684-E705 PolarHBondContact NH1-O 2.87Å; R684-E706 WeakPolarHBondContact CG-O 3.31Å; R684-E706 IonicContact NH2-OE2 3.06Å
685K89.8Confident89.4Confident54 Ų5441 Ų4124%0.23520%0.195CC..  trans-106150.9-177.3-57.3-179.1175.5-162.80111.5H661 S681 D683 E701H661-K685 PolarHBondContact CE1-O 3.47Å; S681-K685 PolarHBondContact N-O 3.05Å; D683-K685 PolarHBondContact O-N 3.09Å; D683-K685 WeakPolarHBondContact OD1-CA 3.44Å; D683-K685 VanDerWaalsContact OD1-CB 3.25Å; D683-K685 WeakPolarHBondContact OD1-CB 3.42Å; D683-K685 PolarHBondContact OD1-N 2.8Å; K685-E701 HydrophobicContact CD-CG 4Å; K685-E701 WeakPolarHBondContact CD-OE1 3.3Å; K685-E701 WeakPolarHBondContact CE-OE1 3.37Å; K685-E701 HydrophobicContact CG-CG 4.23Å; K685-E701 IonicContact NZ-OE1 3.91Å; K685-E701 PolarHBondContact NZ-OE1 2.97Å; K685-E701 IonicContact NZ-OE2 3.87Å; K685-E701 PolarHBondContact NZ-OE2 3.42Å
686V92.8Very high89.4Confident1 Ų140.4 Ų40.41%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-118.4121.8169.7-176.60000108.3T679 C680 F700 V708 L722 T724T679-V686 WeakPolarHBondContact O-CA 3.24Å; C680-V686 HydrophobicContact CB-CG2 4.12Å; V686-F700 HydrophobicContact CB-CB 4.34Å; V686-F700 HydrophobicContact CB-CD2 4.31Å; V686-F700 HydrophobicContact CG1-CD2 4.31Å; V686-F700 PolarHBondContact N-O 3.33Å; V686-F700 PolarHBondContact O-N 2.72Å; V686-V708 HydrophobicContact CG2-CB 4.45Å; V686-V708 HydrophobicContact CG2-CG1 4.06Å; V686-V708 HydrophobicContact CG2-CG2 4.2Å; V686-L722 HydrophobicContact CG1-CD2 3.87Å; V686-T724 HydrophobicContact CG1-CG2 4.16Å; V686-T724 HydrophobicContact CG2-CG2 3.98Å
687K93.6Very high89.2Confident22 Ų2243.5 Ų43.510%0.09621%0.211CC..EExtended strand (participates in β ladder)trans-115.4140.1-178.3-72.8176.8-168.4177.40110.2A660 A678 T679 W689 L696 I699A660-K687 WeakPolarHBondContact O-CD 3.37Å; A660-K687 PolarHBondContact O-NZ 3.44Å; A678-K687 CarbonylContact C-O 3.36Å; A678-K687 WeakPolarHBondContact CA-O 3.15Å; T679-K687 PolarHBondContact N-O 2.88Å; T679-K687 PolarHBondContact O-N 3.43Å; K687-W689 HydrophobicContact CB-CZ2 3.85Å; K687-W689 HydrophobicContact CD-CH2 4.25Å; K687-W689 HydrophobicContact CD-CZ2 3.61Å; K687-W689 HydrophobicContact CG-CZ2 4.32Å; K687-L696 HydrophobicContact CB-CD1 3.8Å; K687-L696 HydrophobicContact CD-CD1 4.22Å; K687-L696 HydrophobicContact CG-CD1 4.01Å; K687-I699 HydrophobicContact CG-CB 4.46Å; K687-I699 HydrophobicContact CG-CG1 4.28Å; K687-I699 HydrophobicContact CG-CG2 3.77Å
688V93.3Very high88.8Confident0 Ų047.5 Ų47.50%023%0.226CC..EExtended strand (participates in β ladder)trans-119.6127.2177.1-176.60000109L676 L677 A678 L697 R698 F700 F713 L722 L738L676-V688 HydrophobicContact CB-CG1 4.24Å; L676-V688 HydrophobicContact CD1-CG1 4.48Å; L677-V688 CarbonylContact O-C 3.51Å; L677-V688 WeakPolarHBondContact O-CA 3.24Å; A678-V688 HydrophobicContact CB-CG2 4.3Å; V688-L697 HydrophobicContact CG1-CD2 4.3Å; V688-L697 WeakPolarHBondContact O-CA 3.46Å; V688-L697 WeakPolarHBondContact O-CB 3.39Å; V688-L697 PolarHBondContact O-N 3.2Å; V688-R698 HydrophobicContact CB-CB 4.4Å; V688-R698 PolarHBondContact N-O 3.31Å; V688-R698 PolarHBondContact O-N 3.02Å; V688-F700 HydrophobicContact CG2-CE2 4.12Å; V688-F713 HydrophobicContact CG1-CZ 4.41Å; V688-L722 HydrophobicContact CG2-CD2 4.27Å; V688-L738 HydrophobicContact CB-CD2 4.36Å; V688-L738 HydrophobicContact CG1-CD2 4.16Å; V688-L738 HydrophobicContact CG2-CD2 3.8Å
689W93.1Very high88.6Confident17 Ų1750.4 Ų50.46%0.06424%0.241CC..EExtended strand (participates in β ladder)trans-115143-170.9-53.292.1000110.4I658 A660 L676 L677 T679 K687 L696I658-W689 HydrophobicContact CD1-CD2 4.47Å; I658-W689 HydrophobicContact CD1-CE3 4.22Å; I658-W689 HydrophobicContact CG2-CD2 4.27Å; I658-W689 HydrophobicContact CG2-CE3 3.75Å; I658-W689 HydrophobicContact CG2-CH2 3.79Å; I658-W689 HydrophobicContact CG2-CZ2 4.32Å; I658-W689 HydrophobicContact CG2-CZ3 3.48Å; I658-W689 VanDerWaalsContact CG2-CZ3 3.48Å; A660-W689 HydrophobicContact CB-CZ2 4.03Å; A660-W689 WeakPolarHBondContact O-CZ2 3.45Å; L676-W689 CarbonylContact C-O 3.44Å; L676-W689 VanDerWaalsContact CA-O 3.29Å; L676-W689 WeakPolarHBondContact CA-O 3.22Å; L677-W689 PolarHBondContact N-O 2.88Å; L677-W689 PolarHBondContact O-N 3.21Å; T679-W689 PolarHBondContact OG1-NE1 2.95Å; K687-W689 HydrophobicContact CB-CZ2 3.85Å; K687-W689 HydrophobicContact CD-CH2 4.25Å; K687-W689 HydrophobicContact CD-CZ2 3.61Å; K687-W689 HydrophobicContact CG-CZ2 4.32Å; W689-L696 HydrophobicContact CD2-CD1 3.9Å; W689-L696 HydrophobicContact CE3-CB 3.84Å; W689-L696 HydrophobicContact CE3-CD1 3.81Å; W689-L696 HydrophobicContact CE3-CG 4.43Å; W689-L696 HydrophobicContact CH2-CB 4.29Å; W689-L696 HydrophobicContact CH2-CD1 3.76Å; W689-L696 HydrophobicContact CH2-CD2 4.49Å; W689-L696 HydrophobicContact CH2-CG 4.41Å; W689-L696 HydrophobicContact CZ2-CD1 3.8Å; W689-L696 HydrophobicContact CZ3-CB 3.6Å; W689-L696 HydrophobicContact CZ3-CD1 3.76Å; W689-L696 HydrophobicContact CZ3-CG 4.17Å
690N90.9Very high88.2Confident31 Ų3150.9 Ų50.917%0.16624%0.243CC..EExtended strand (participates in β ladder)trans-90.4119167.2-176.8-47.4000109.4L676 Q692 Q693 G694 K695L676-N690 HydrophobicContact CD2-CB 4.5Å; N690-Q692 PolarHBondContact OD1-N 2.74Å; N690-Q693 PolarHBondContact O-N 2.73Å; N690-Q693 PolarHBondContact OD1-N 2.79Å; N690-G694 WeakPolarHBondContact O-CA 3.42Å; N690-G694 PolarHBondContact O-N 3.49Å; N690-K695 PolarHBondContact N-O 2.68Å; N690-K695 PolarHBondContact O-N 3.07Å
691I85.3Confident87.2Confident16 Ų1654.8 Ų54.88%0.08226%0.261CS..THydrogen-bonded Turntrans-72.3-32.2-173.1-62155.4000112.3M656 F670 D674 H675 L677 Q693M656-I691 WeakPolarHBondContact CE-O 3.3Å; F670-I691 HydrophobicContact CD1-CD1 3.53Å; F670-I691 HydrophobicContact CE1-CD1 3.41Å; F670-I691 VanDerWaalsContact CE1-CD1 3.41Å; F670-I691 HydrophobicContact CE1-CG1 4.45Å; D674-I691 VanDerWaalsContact O-CD1 3.25Å; D674-I691 WeakPolarHBondContact O-CD1 3.42Å; H675-I691 PolarHBondContact O-N 3.32Å; L677-I691 HydrophobicContact CB-CD1 3.97Å; L677-I691 HydrophobicContact CB-CG1 3.89Å; L677-I691 HydrophobicContact CD1-CD1 4.41Å; I691-Q693 VanDerWaalsContact C-N 3.32Å; I691-Q693 PolarHBondContact O-N 3.14Å
692Q81.4Confident86.1Confident148 Ų14863.9 Ų63.969%0.69230%0.303SS*.THydrogen-bonded Turntrans-69.6-33-179.9-75.8179.2-8.700112.2N690N690-Q692 PolarHBondContact OD1-N 2.74Å
693Q78.5Confident85.7Confident127 Ų12764.8 Ų64.859%0.59330%0.304SS*.THydrogen-bonded Turntrans-102.8-14.1-176.3-61.4-172.51.900113.5N690 I691 K695N690-Q693 PolarHBondContact O-N 2.73Å; N690-Q693 PolarHBondContact OD1-N 2.79Å; I691-Q693 VanDerWaalsContact C-N 3.32Å; I691-Q693 PolarHBondContact O-N 3.14Å; Q693-K695 HydrophobicContact CB-CB 4.21Å; Q693-K695 HydrophobicContact CB-CD 4.39Å; Q693-K695 HydrophobicContact CB-CG 4.16Å; Q693-K695 PolarHBondContact O-N 3.23Å
694G78.7Confident85.8Confident25 Ų2564 Ų6426%0.25830%0.3SS..THydrogen-bonded Turntrans60.924.3-171.100000113M656 N690M656-G694 VanDerWaalsContact SD-CA 3.55Å; N690-G694 WeakPolarHBondContact O-CA 3.42Å; N690-G694 PolarHBondContact O-N 3.49Å
695K87.1Confident85.6Confident134 Ų13464.9 Ų64.958%0.58331%0.309SS*.EExtended strand (participates in β ladder)trans-106.2143.8-175.8-73.5-174.7-178.7178.80111.3N690 Q693 L697N690-K695 PolarHBondContact N-O 2.68Å; N690-K695 PolarHBondContact O-N 3.07Å; Q693-K695 HydrophobicContact CB-CB 4.21Å; Q693-K695 HydrophobicContact CB-CD 4.39Å; Q693-K695 HydrophobicContact CB-CG 4.16Å; Q693-K695 PolarHBondContact O-N 3.23Å; K695-L697 PolarHBondContact O-N 3.14Å
696L89.6Confident85.4Confident72 Ų7266.4 Ų66.438%0.37732%0.317SS..EExtended strand (participates in β ladder)trans-65.8123.1171.6-172.560.7000109.6K687 W689 I699K687-L696 HydrophobicContact CB-CD1 3.8Å; K687-L696 HydrophobicContact CD-CD1 4.22Å; K687-L696 HydrophobicContact CG-CD1 4.01Å; W689-L696 HydrophobicContact CD2-CD1 3.9Å; W689-L696 HydrophobicContact CE3-CB 3.84Å; W689-L696 HydrophobicContact CE3-CD1 3.81Å; W689-L696 HydrophobicContact CE3-CG 4.43Å; W689-L696 HydrophobicContact CH2-CB 4.29Å; W689-L696 HydrophobicContact CH2-CD1 3.76Å; W689-L696 HydrophobicContact CH2-CD2 4.49Å; W689-L696 HydrophobicContact CH2-CG 4.41Å; W689-L696 HydrophobicContact CZ2-CD1 3.8Å; W689-L696 HydrophobicContact CZ3-CB 3.6Å; W689-L696 HydrophobicContact CZ3-CD1 3.76Å; W689-L696 HydrophobicContact CZ3-CG 4.17Å; L696-I699 HydrophobicContact CD1-CG1 4.14Å; L696-I699 HydrophobicContact CD2-CD1 3.49Å; L696-I699 VanDerWaalsContact CD2-CD1 3.49Å; L696-I699 HydrophobicContact CD2-CG1 3.53Å; L696-I699 HydrophobicContact CG-CD1 4.5Å; L696-I699 HydrophobicContact CG-CG1 4.02Å
697L87.9Confident85.2Confident84 Ų8469.1 Ų69.144%0.4433%0.33SS..EExtended strand (participates in β ladder)trans-91.6-50.4178.6-174.7116000110.2L676 V688 K695L676-L697 HydrophobicContact CD2-CD1 4.2Å; L676-L697 HydrophobicContact CD2-CD2 4.44Å; V688-L697 HydrophobicContact CG1-CD2 4.3Å; V688-L697 WeakPolarHBondContact O-CA 3.46Å; V688-L697 WeakPolarHBondContact O-CB 3.39Å; V688-L697 PolarHBondContact O-N 3.2Å; K695-L697 PolarHBondContact O-N 3.14Å
698R86.6Confident85.2Confident85 Ų8568 Ų6832%0.32133%0.325SS..EExtended strand (participates in β ladder)trans-145.6150.5-176.4-69.6-70.5-94.8168.8-8111.5V688 K740V688-R698 HydrophobicContact CB-CB 4.4Å; V688-R698 PolarHBondContact N-O 3.31Å; V688-R698 PolarHBondContact O-N 3.02Å; R698-K740 PolarHBondContact NH2-O 3.36Å
699I89.8Confident85.1Confident62 Ų6269.2 Ų69.232%0.31833%0.331SS..EExtended strand (participates in β ladder)trans-126.3133.4167.6-39.8177.3000108K687 L696 E701K687-I699 HydrophobicContact CG-CB 4.46Å; K687-I699 HydrophobicContact CG-CG1 4.28Å; K687-I699 HydrophobicContact CG-CG2 3.77Å; L696-I699 HydrophobicContact CD1-CG1 4.14Å; L696-I699 HydrophobicContact CD2-CD1 3.49Å; L696-I699 VanDerWaalsContact CD2-CD1 3.49Å; L696-I699 HydrophobicContact CD2-CG1 3.53Å; L696-I699 HydrophobicContact CG-CD1 4.5Å; L696-I699 HydrophobicContact CG-CG1 4.02Å; I699-E701 HydrophobicContact CB-CG 4.05Å; I699-E701 HydrophobicContact CG2-CG 3.3Å; I699-E701 WeakPolarHBondContact CG2-OE1 3.46Å
700F86.8Confident85.1Confident9 Ų968.9 Ų68.94%0.03933%0.33CS..EExtended strand (participates in β ladder)trans-103.7105.3166.1-56.7-72.5000107.2V686 V688 W736 L738V686-F700 HydrophobicContact CB-CB 4.34Å; V686-F700 HydrophobicContact CB-CD2 4.31Å; V686-F700 HydrophobicContact CG1-CD2 4.31Å; V686-F700 PolarHBondContact N-O 3.33Å; V686-F700 PolarHBondContact O-N 2.72Å; V688-F700 HydrophobicContact CG2-CE2 4.12Å; F700-W736 HydrophobicContact CB-CE3 4.2Å; F700-W736 HydrophobicContact CB-CH2 3.98Å; F700-W736 HydrophobicContact CB-CZ2 4.43Å; F700-W736 HydrophobicContact CB-CZ3 3.85Å; F700-W736 HydrophobicContact CD1-CD2 4.24Å; F700-W736 AromaticContact CD1-CE3 3.37Å; F700-W736 HydrophobicContact CD1-CE3 3.37Å; F700-W736 HydrophobicContact CD1-CH2 4.48Å; F700-W736 AromaticContact CD1-CZ3 3.53Å; F700-W736 HydrophobicContact CD1-CZ3 3.53Å; F700-W736 HydrophobicContact CD2-CD2 4.31Å; F700-W736 HydrophobicContact CD2-CE3 4.23Å; F700-W736 HydrophobicContact CE1-CD2 4.47Å; F700-W736 AromaticContact CE1-CE3 3.68Å; F700-W736 HydrophobicContact CE1-CE3 3.68Å; F700-W736 HydrophobicContact CE1-CZ3 4.25Å; F700-W736 HydrophobicContact CE2-CB 4.36Å; F700-W736 HydrophobicContact CE2-CE3 4.48Å; F700-W736 HydrophobicContact CE2-CG 4.49Å; F700-W736 HydrophobicContact CG-CD2 4.14Å; F700-W736 AromaticContact CG-CE3 3.67Å; F700-W736 HydrophobicContact CG-CE3 3.67Å; F700-W736 HydrophobicContact CG-CH2 4.37Å; F700-W736 AromaticContact CG-CZ3 3.8Å; F700-W736 HydrophobicContact CG-CZ3 3.8Å; F700-W736 HydrophobicContact CZ-CB 4.25Å; F700-W736 HydrophobicContact CZ-CE3 4.23Å; F700-L738 HydrophobicContact CE2-CD2 4.16Å; F700-L738 HydrophobicContact CZ-CD2 4.16Å
701E73.4Confident85.3Confident82 Ų8267.4 Ų67.438%0.38332%0.322SS..  trans-112157.3178-50.9-164.2165.500108.7K685 I699 E703K685-E701 HydrophobicContact CD-CG 4Å; K685-E701 WeakPolarHBondContact CD-OE1 3.3Å; K685-E701 WeakPolarHBondContact CE-OE1 3.37Å; K685-E701 HydrophobicContact CG-CG 4.23Å; K685-E701 IonicContact NZ-OE1 3.91Å; K685-E701 PolarHBondContact NZ-OE1 2.97Å; K685-E701 IonicContact NZ-OE2 3.87Å; K685-E701 PolarHBondContact NZ-OE2 3.42Å; I699-E701 HydrophobicContact CB-CG 4.05Å; I699-E701 HydrophobicContact CG2-CG 3.3Å; I699-E701 WeakPolarHBondContact CG2-OE1 3.46Å; E701-E703 VanDerWaalsContact C-N 3.33Å; E701-E703 PolarHBondContact O-N 2.6Å
702E69.9Low85.7Confident191 Ų19168 Ų6889%0.89333%0.325SS*.SBendtrans76.1-7.6169.9-50.3-178.6163.800118.3
703E77.8Confident86.3Confident50 Ų5061.2 Ų61.223%0.23429%0.293CS..SBendtrans-95.1-28.5-176.1-90.2-153.1-14100115.7E701 K734 W736 S742 S743E701-E703 VanDerWaalsContact C-N 3.33Å; E701-E703 PolarHBondContact O-N 2.6Å; E703-K734 HydrophobicContact CB-CD 4.37Å; E703-K734 WeakPolarHBondContact O-CE 3.19Å; E703-K734 PolarHBondContact O-NZ 3.44Å; E703-K734 VanDerWaalsContact O-NZ 3.1Å; E703-K734 IonicContact OE2-NZ 2.87Å; E703-K734 PolarHBondContact OE2-NZ 2.73Å; E703-W736 HydrophobicContact CB-CH2 3.65Å; E703-W736 HydrophobicContact CB-CZ2 4.46Å; E703-W736 VanDerWaalsContact CD-CH2 3.48Å; E703-W736 HydrophobicContact CG-CH2 4.02Å; E703-W736 HydrophobicContact CG-CZ3 4.49Å; E703-W736 WeakPolarHBondContact OE2-CH2 3.4Å; E703-S742 WeakPolarHBondContact OE1-CA 3.42Å; E703-S742 WeakPolarHBondContact OE1-CB 3.32Å; E703-S743 PolarHBondContact OE1-N 3.42Å; E703-S743 PolarHBondContact OE1-OG 3.27Å; E703-S743 WeakPolarHBondContact OE2-CB 3Å; E703-S743 PolarHBondContact OE2-OG 2.96Å
704H86.4Confident87Confident11 Ų1155.4 Ų55.45%0.05127%0.266CS..  trans-97.8131.3169.4-76.8-62.3000108.2V708 T724 S726 D728 K734H704-V708 HydrophobicContact CB-CG2 3.85Å; H704-V708 VanDerWaalsContact CD2-CG2 3.48Å; H704-V708 WeakPolarHBondContact CD2-CG2 3.45Å; H704-T724 PolarHBondContact NE2-OG1 2.78Å; H704-S726 WeakPolarHBondContact ND1-CB 3.47Å; H704-D728 IonicContact CE1-OD2 3.31Å; H704-D728 IonicContact CG-OD2 3.86Å; H704-D728 IonicContact ND1-OD2 2.72Å; H704-D728 PolarHBondContact ND1-OD2 3.01Å; H704-K734 VanDerWaalsContact CE1-CD 3.48Å; H704-K734 WeakPolarHBondContact CE1-CD 3.37Å
705E84.1Confident87.4Confident142 Ų14256.5 Ų56.566%0.66427%0.266SS*.SBendtrans-86.2-25.4-178.4-66.9-176.6177.200111.2R684 D728R684-E705 WeakPolarHBondContact CD-O 3.44Å; R684-E705 PolarHBondContact NE-O 3.13Å; R684-E705 PolarHBondContact NH1-O 2.87Å; E705-D728 PolarHBondContact N-OD1 2.84Å; E705-D728 VanDerWaalsContact N-OD1 3.08Å
706E87.3Confident87.2Confident86 Ų8654.3 Ų54.340%0.40226%0.259SS..SBendtrans-121.6-178.5179.6-68.2-62163.900112.7R684 S726 N727 D728R684-E706 WeakPolarHBondContact CG-O 3.31Å; R684-E706 IonicContact NH2-OE2 3.06Å; E706-S726 PolarHBondContact O-OG 2.82Å; E706-N727 HydrophobicContact CB-CB 3.85Å; E706-D728 PolarHBondContact N-OD1 3.11Å
707Q88.3Confident86.6Confident57 Ų5755.8 Ų55.827%0.26628%0.276SS..  trans-61.4141.8-178.462.9171.631.600112.8L666 N709 S726 N727L666-Q707 HydrophobicContact CD1-CB 4.39Å; Q707-N709 PolarHBondContact NE2-OD1 3.43Å; Q707-N709 VanDerWaalsContact NE2-OD1 3.1Å; Q707-S726 VanDerWaalsContact O-CA 3.28Å; Q707-S726 WeakPolarHBondContact O-CA 3.25Å; Q707-S726 PolarHBondContact O-OG 2.79Å; Q707-N727 HydrophobicContact CG-CB 3.91Å; Q707-N727 WeakPolarHBondContact CG-ND2 3.44Å; Q707-N727 PolarHBondContact NE2-ND2 3.42Å; Q707-N727 PolarHBondContact O-N 3.32Å
708V92.4Very high86Confident0 Ų060.2 Ų60.20%029%0.294CS..EExtended strand (participates in β ladder)trans-99.1109.8179.7-1750000109.6L666 C680 S681 V686 H704 T724 C725L666-V708 WeakPolarHBondContact CD1-O 3.33Å; C680-V708 HydrophobicContact CB-CB 3.88Å; C680-V708 HydrophobicContact CB-CG1 3.6Å; C680-V708 PolarHBondContact SG-O 3.46Å; S681-V708 PolarHBondContact O-N 3.22Å; V686-V708 HydrophobicContact CG2-CB 4.45Å; V686-V708 HydrophobicContact CG2-CG1 4.06Å; V686-V708 HydrophobicContact CG2-CG2 4.2Å; H704-V708 HydrophobicContact CB-CG2 3.85Å; H704-V708 VanDerWaalsContact CD2-CG2 3.48Å; H704-V708 WeakPolarHBondContact CD2-CG2 3.45Å; V708-T724 HydrophobicContact CG1-CG2 4.48Å; V708-C725 CarbonylContact C-O 3.58Å; V708-C725 WeakPolarHBondContact CA-O 3.43Å; V708-C725 VanDerWaalsContact CG1-O 3.31Å; V708-C725 WeakPolarHBondContact CG1-O 3.43Å
709N91.8Very high85.6Confident25 Ų2564.5 Ų64.513%0.13431%0.31CS..EExtended strand (participates in β ladder)trans-76.7-42.4-170.5-60.9-37.2000113.3Q707 C725 N727 V754Q707-N709 PolarHBondContact NE2-OD1 3.43Å; Q707-N709 VanDerWaalsContact NE2-OD1 3.1Å; N709-C725 PolarHBondContact N-O 2.99Å; N709-N727 PolarHBondContact ND2-OD1 3.5Å; N709-N727 PolarHBondContact OD1-OD1 3.14Å; N709-V754 PolarHBondContact ND2-O 3.18Å
710H93.7Very high85.6Confident9 Ų964 Ų644%0.04231%0.308CS..EExtended strand (participates in β ladder)trans-140.4145.6-175.5-162.3-68.2000112.1E712 T724 C725 H756 R891H710-E712 IonicContact CE1-OE2 3.59Å; H710-T724 WeakPolarHBondContact O-CA 3.38Å; H710-C725 WeakPolarHBondContact CB-SG 3.31Å; H710-C725 PolarHBondContact N-O 3.42Å; H710-C725 PolarHBondContact O-N 3.01Å; H710-H756 AromaticContact CD2-CD2 3.21Å; H710-H756 PolarHBondContact CD2-CD2 3.16Å; H710-H756 AromaticContact CD2-NE2 3.73Å; H710-H756 AromaticContact NE2-CD2 3.38Å; H710-H756 PolarHBondContact NE2-CD2 3.12Å; H710-H756 AromaticContact NE2-NE2 3.34Å; H710-H756 PolarHBondContact NE2-NE2 2.73Å; H710-R891 PolarHBondContact CE1-NH2 3.47Å; H710-R891 PolarHBondContact NE2-NH2 2.89Å
711C94.6Very high85.8Confident0 Ų064.2 Ų64.20%031%0.309CS..EExtended strand (participates in β ladder)trans-133.5135.8170.2660000111.1C667 A669 C680 L722 A723 T724C667-C711 PolarHBondContact SG-O 3.17Å; A669-C711 WeakPolarHBondContact CB-O 3.12Å; C680-C711 HydrophobicContact CB-CB 4.21Å; C711-L722 HydrophobicContact CB-CD1 4.22Å; C711-A723 CarbonylContact C-O 3.58Å; C711-A723 VanDerWaalsContact CA-O 3.28Å; C711-A723 WeakPolarHBondContact CA-O 3.48Å; C711-T724 HydrophobicContact CB-CG2 4.06Å
712E93.9Very high86.7Confident29 Ų2960.3 Ų60.314%0.13629%0.291CS..EExtended strand (participates in β ladder)trans-140.5136.3178.6-163.7174127.800110.9H710 L722 A723 C758 F759H710-E712 IonicContact CE1-OE2 3.59Å; E712-L722 CarbonylContact O-C 3.59Å; E712-L722 WeakPolarHBondContact O-CA 3.4Å; E712-A723 PolarHBondContact N-O 3.05Å; E712-A723 PolarHBondContact O-N 3.13Å; E712-C758 PolarHBondContact OE1-SG 3.45Å; E712-C758 WeakPolarHBondContact OE2-CA 3.11Å; E712-F759 HydrophobicContact CG-CD2 4.47Å; E712-F759 PolarHBondContact OE1-N 3.48Å; E712-F759 VanDerWaalsContact OE1-N 3.11Å
713F94.6Very high87.9Confident6 Ų651.2 Ų51.23%0.02625%0.249CC..EExtended strand (participates in β ladder)trans-83.3160.2170.3-78.2-75.6000110.9A669 F670 A678 V688 L720 L721 L722 L738 F759A669-F713 HydrophobicContact CB-CD2 4.31Å; A669-F713 WeakPolarHBondContact O-CE2 3.43Å; F670-F713 VanDerWaalsContact C-CD2 3.48Å; F670-F713 WeakPolarHBondContact O-CD2 3.49Å; A678-F713 HydrophobicContact CB-CD2 4.32Å; A678-F713 HydrophobicContact CB-CE2 3.42Å; A678-F713 VanDerWaalsContact CB-CE2 3.42Å; A678-F713 HydrophobicContact CB-CZ 3.7Å; V688-F713 HydrophobicContact CG1-CZ 4.41Å; F713-L720 HydrophobicContact CD1-CD1 3.83Å; F713-L720 HydrophobicContact CD1-CG 4.46Å; F713-L720 HydrophobicContact CE1-CD1 4.24Å; F713-L721 WeakPolarHBondContact CA-O 3.48Å; F713-L721 WeakPolarHBondContact CD1-O 3.37Å; F713-L722 HydrophobicContact CD1-CB 4.03Å; F713-L722 HydrophobicContact CD1-CD1 4Å; F713-L722 HydrophobicContact CD2-CD1 4.08Å; F713-L722 HydrophobicContact CE1-CB 3.92Å; F713-L722 HydrophobicContact CE1-CD1 3.96Å; F713-L722 HydrophobicContact CE1-CG 4.41Å; F713-L722 HydrophobicContact CE2-CD1 4.08Å; F713-L722 HydrophobicContact CG-CD1 4.06Å; F713-L722 HydrophobicContact CZ-CD1 4.02Å; F713-L738 HydrophobicContact CE1-CD1 4.16Å; F713-F759 WeakPolarHBondContact O-CD2 3.39Å
714T92.6Very high88.6Confident5 Ų548.9 Ų48.93%0.03124%0.238CC..  trans-55.5156165.343.90000111.6P672 R719 L721 F759 D763P672-T714 WeakPolarHBondContact CD-O 3.32Å; P672-T714 WeakPolarHBondContact CG-O 3.49Å; T714-R719 WeakPolarHBondContact CB-O 3.37Å; T714-R719 PolarHBondContact OG1-O 3.37Å; T714-L721 HydrophobicContact CG2-CB 3.76Å; T714-L721 HydrophobicContact CG2-CG 4.39Å; T714-L721 PolarHBondContact N-O 2.93Å; T714-L721 PolarHBondContact OG1-N 3.27Å; T714-F759 HydrophobicContact CG2-CD1 4.42Å; T714-F759 HydrophobicContact CG2-CD2 4.44Å; T714-F759 HydrophobicContact CG2-CE1 4.11Å; T714-F759 HydrophobicContact CG2-CE2 4.12Å; T714-F759 HydrophobicContact CG2-CZ 3.95Å; T714-D763 HydrophobicContact CG2-CB 4.35Å
715N86.4Confident88.9Confident47 Ų4748.3 Ų48.325%0.25124%0.235SC..SBendtrans-83.8-28.4-180-69.8-58.6000113H630 S760 D763H630-N715 PolarHBondContact CE1-O 3.28Å; N715-S760 PolarHBondContact ND2-O 3.05Å; N715-D763 WeakPolarHBondContact CB-OD1 3.48Å; N715-D763 VanDerWaalsContact N-CG 3.35Å; N715-D763 PolarHBondContact N-OD1 3.28Å; N715-D763 PolarHBondContact N-OD2 3.19Å; N715-D763 VanDerWaalsContact N-OD2 3.15Å; N715-D763 PolarHBondContact ND2-OD1 3.49Å
716M83.6Confident89.3Confident89 Ų8941.6 Ų41.644%0.43820%0.203SC..SBendtrans-104.8141.6-175.2-59.2-71.6-86.700111.5Q718 D763M716-Q718 PolarHBondContact O-N 3.02Å; M716-D763 WeakPolarHBondContact CA-OD2 3.38Å; M716-D763 WeakPolarHBondContact CB-OD2 3.46Å; M716-D763 WeakPolarHBondContact CG-OD2 3.5Å; M716-D763 PolarHBondContact N-OD2 3.42Å
717S76.6Confident89.4Confident103 Ų10339.6 Ų39.672%0.7220%0.196SC*.THydrogen-bonded Turntrans-72.5-9.1-178.157.80000115R719S717-R719 PolarHBondContact O-N 2.79Å
718Q74.7Confident89.2Confident176 Ų17637.1 Ų37.182%0.82218%0.184SC*.THydrogen-bonded Turntrans-68.1-34.8-176.1-67.6-171.9-5.700113.4M716M716-Q718 PolarHBondContact O-N 3.02Å
719R79.4Confident88.4Confident176 Ų17642.4 Ų42.466%0.66421%0.213SC*.SBendtrans-137.6108177.9-79.8-177.9173.7176.1-1.4108.8T714 S717 L721T714-R719 WeakPolarHBondContact CB-O 3.37Å; T714-R719 PolarHBondContact OG1-O 3.37Å; S717-R719 PolarHBondContact O-N 2.79Å; R719-L721 PolarHBondContact O-N 3.03Å
720L88.4Confident87.4Confident52 Ų5247.7 Ų47.727%0.27224%0.235SC..  trans-85.296.7178.2-170.764.6000109.9L676 F713 L738L676-L720 HydrophobicContact CD1-CD2 3.93Å; F713-L720 HydrophobicContact CD1-CD1 3.83Å; F713-L720 HydrophobicContact CD1-CG 4.46Å; F713-L720 HydrophobicContact CE1-CD1 4.24Å; L720-L738 HydrophobicContact CD2-CD1 3.56Å; L720-L738 HydrophobicContact CG-CD1 4.01Å
721L91.8Very high86.5Confident13 Ų1350.4 Ų50.47%0.06825%0.249CC..EExtended strand (participates in β ladder)trans-116.7152.7173.9-57.8172.5000109.3F713 T714 R719 I735 W736 N737 V780F713-L721 WeakPolarHBondContact CA-O 3.48Å; F713-L721 WeakPolarHBondContact CD1-O 3.37Å; T714-L721 HydrophobicContact CG2-CB 3.76Å; T714-L721 HydrophobicContact CG2-CG 4.39Å; T714-L721 PolarHBondContact N-O 2.93Å; T714-L721 PolarHBondContact OG1-N 3.27Å; R719-L721 PolarHBondContact O-N 3.03Å; L721-I735 HydrophobicContact CB-CG2 4.07Å; L721-I735 HydrophobicContact CD1-CG2 4.16Å; L721-I735 HydrophobicContact CD2-CG2 4.37Å; L721-I735 HydrophobicContact CG-CG2 4.44Å; L721-W736 WeakPolarHBondContact CA-O 3.26Å; L721-N737 HydrophobicContact CD2-CB 4.05Å; L721-V780 HydrophobicContact CD1-CG1 3.76Å
722L93.2Very high85.9Confident0 Ų050.6 Ų50.60%025%0.25CC..EExtended strand (participates in β ladder)trans-120.9124.5175.117573000107.9A678 V686 V688 C711 E712 F713 T724 I735 W736A678-L722 HydrophobicContact CB-CD1 3.68Å; A678-L722 HydrophobicContact CB-CD2 3.98Å; V686-L722 HydrophobicContact CG1-CD2 3.87Å; V688-L722 HydrophobicContact CG2-CD2 4.27Å; C711-L722 HydrophobicContact CB-CD1 4.22Å; E712-L722 CarbonylContact O-C 3.59Å; E712-L722 WeakPolarHBondContact O-CA 3.4Å; F713-L722 HydrophobicContact CD1-CB 4.03Å; F713-L722 HydrophobicContact CD1-CD1 4Å; F713-L722 HydrophobicContact CD2-CD1 4.08Å; F713-L722 HydrophobicContact CE1-CB 3.92Å; F713-L722 HydrophobicContact CE1-CD1 3.96Å; F713-L722 HydrophobicContact CE1-CG 4.41Å; F713-L722 HydrophobicContact CE2-CD1 4.08Å; F713-L722 HydrophobicContact CG-CD1 4.06Å; F713-L722 HydrophobicContact CZ-CD1 4.02Å; L722-T724 HydrophobicContact CD2-CG2 4.39Å; L722-T724 HydrophobicContact CG-CG2 4.27Å; L722-I735 CarbonylContact O-C 3.6Å; L722-I735 WeakPolarHBondContact O-CA 3.35Å; L722-W736 HydrophobicContact CB-CB 4.18Å; L722-W736 PolarHBondContact N-O 3.44Å; L722-W736 VanDerWaalsContact O-CD1 3.25Å; L722-W736 PolarHBondContact O-N 3.23Å
723A94Very high85.7Confident0 Ų049.3 Ų49.30%024%0.244CC..EExtended strand (participates in β ladder)trans-96.3140.317100000109.7C711 E712 K734 F759 L766C711-A723 CarbonylContact C-O 3.58Å; C711-A723 VanDerWaalsContact CA-O 3.28Å; C711-A723 WeakPolarHBondContact CA-O 3.48Å; E712-A723 PolarHBondContact N-O 3.05Å; E712-A723 PolarHBondContact O-N 3.13Å; A723-K734 WeakPolarHBondContact CA-O 3.35Å; A723-F759 HydrophobicContact CB-CE2 3.58Å; A723-F759 HydrophobicContact CB-CZ 3.67Å; A723-L766 HydrophobicContact CB-CD1 3.92Å; A723-L766 HydrophobicContact CB-CD2 4.1Å
724T93.6Very high85.5Confident0 Ų049.4 Ų49.40%025%0.245CC..EExtended strand (participates in β ladder)trans-132.8146.1175.261.30000110.5V686 H704 V708 H710 C711 L722 V733 K734 W736V686-T724 HydrophobicContact CG1-CG2 4.16Å; V686-T724 HydrophobicContact CG2-CG2 3.98Å; H704-T724 PolarHBondContact NE2-OG1 2.78Å; V708-T724 HydrophobicContact CG1-CG2 4.48Å; H710-T724 WeakPolarHBondContact O-CA 3.38Å; C711-T724 HydrophobicContact CB-CG2 4.06Å; L722-T724 HydrophobicContact CD2-CG2 4.39Å; L722-T724 HydrophobicContact CG-CG2 4.27Å; T724-V733 WeakPolarHBondContact O-CA 3.49Å; T724-V733 WeakPolarHBondContact O-CG1 3.43Å; T724-K734 PolarHBondContact N-O 3.36Å; T724-K734 PolarHBondContact O-N 2.97Å; T724-W736 PolarHBondContact OG1-NE1 3.07Å
725C92.6Very high85.5Confident0 Ų049.2 Ų49.20%024%0.243CC..EExtended strand (participates in β ladder)trans-129.2144.6173.264.30000112.5V708 N709 H710 N732 V733 V754 C757V708-C725 CarbonylContact C-O 3.58Å; V708-C725 WeakPolarHBondContact CA-O 3.43Å; V708-C725 VanDerWaalsContact CG1-O 3.31Å; V708-C725 WeakPolarHBondContact CG1-O 3.43Å; N709-C725 PolarHBondContact N-O 2.99Å; H710-C725 WeakPolarHBondContact CB-SG 3.31Å; H710-C725 PolarHBondContact N-O 3.42Å; H710-C725 PolarHBondContact O-N 3.01Å; C725-N732 CarbonylContact C-O 3.08Å; C725-N732 WeakPolarHBondContact CA-O 3.37Å; C725-V733 HydrophobicContact CB-CG2 4.36Å; C725-V754 HydrophobicContact CB-CB 3.87Å; C725-V754 HydrophobicContact CB-CG1 3.54Å; C725-V754 PolarHBondContact SG-O 3.22Å; C725-C757 HydrophobicContact CB-CB 4.4Å
726S92.1Very high85.7Confident0 Ų047.1 Ų47.10%023%0.232CC..EExtended strand (participates in β ladder)trans-132.4165.9-168.8-178.70000112.5H704 E706 Q707 D728 N732 V754H704-S726 WeakPolarHBondContact ND1-CB 3.47Å; E706-S726 PolarHBondContact O-OG 2.82Å; Q707-S726 VanDerWaalsContact O-CA 3.28Å; Q707-S726 WeakPolarHBondContact O-CA 3.25Å; Q707-S726 PolarHBondContact O-OG 2.79Å; S726-D728 WeakPolarHBondContact CB-OD2 3.14Å; S726-D728 PolarHBondContact O-N 3.41Å; S726-D728 PolarHBondContact OG-N 3.04Å; S726-D728 PolarHBondContact OG-OD1 3.45Å; S726-D728 PolarHBondContact OG-OD2 3.46Å; S726-N732 PolarHBondContact N-O 3.27Å; S726-V754 PolarHBondContact O-N 3.13Å
727N88.8Confident85.9Confident44 Ų4444.3 Ų44.324%0.23522%0.219CC..SBendtrans-7810.2165.5-78.513.8000113.8E706 Q707 N709 P753E706-N727 HydrophobicContact CB-CB 3.85Å; Q707-N727 HydrophobicContact CG-CB 3.91Å; Q707-N727 WeakPolarHBondContact CG-ND2 3.44Å; Q707-N727 PolarHBondContact NE2-ND2 3.42Å; Q707-N727 PolarHBondContact O-N 3.32Å; N709-N727 PolarHBondContact ND2-OD1 3.5Å; N709-N727 PolarHBondContact OD1-OD1 3.14Å; N727-P753 HydrophobicContact CB-CB 4.33Å; N727-P753 HydrophobicContact CB-CG 4.36Å; N727-P753 WeakPolarHBondContact OD1-CB 3.37Å
728D84.8Confident86.3Confident6 Ų640.3 Ų40.33%0.03219%0.189CC..  trans-54.7158.5173.2-54.7-24000109.5H704 E705 E706 S726 N732H704-D728 IonicContact CE1-OD2 3.31Å; H704-D728 IonicContact CG-OD2 3.86Å; H704-D728 IonicContact ND1-OD2 2.72Å; H704-D728 PolarHBondContact ND1-OD2 3.01Å; E705-D728 PolarHBondContact N-OD1 2.84Å; E705-D728 VanDerWaalsContact N-OD1 3.08Å; E706-D728 PolarHBondContact N-OD1 3.11Å; S726-D728 WeakPolarHBondContact CB-OD2 3.14Å; S726-D728 PolarHBondContact O-N 3.41Å; S726-D728 PolarHBondContact OG-N 3.04Å; S726-D728 PolarHBondContact OG-OD1 3.45Å; S726-D728 PolarHBondContact OG-OD2 3.46Å; D728-N732 WeakPolarHBondContact CB-OD1 3.47Å; D728-N732 PolarHBondContact O-ND2 2.92Å; D728-N732 PolarHBondContact O-OD1 3.04Å
729N74.8Confident86.8Confident111 Ų11139 Ų3959%0.59419%0.188SC*.SBendtrans-79.4-43.9178.6-76.4-18.1000112.3N732N729-N732 PolarHBondContact N-OD1 3.42Å; N729-N732 PolarHBondContact O-ND2 3.02Å; N729-N732 PolarHBondContact O-OD1 3.33Å
730F70.9Confident86.9Confident136 Ų13635.2 Ų35.260%0.59618%0.176SC*.SBendtrans-126-19.6-173.6-61.7-75.3000115.6N732 F751F730-N732 WeakPolarHBondContact CA-OD1 3.42Å; F730-N732 PolarHBondContact N-OD1 3.17Å; F730-F751 HydrophobicContact CE1-CD1 4.28Å
731L75.5Confident86.2Confident66 Ų6637.8 Ų37.835%0.34620%0.196SC..  trans-10939.1-175.5-60.5178.7000112.2V733 T746 F748L731-V733 VanDerWaalsContact C-N 3.33Å; L731-V733 PolarHBondContact O-N 3.33Å; L731-T746 HydrophobicContact CB-CG2 4.17Å; L731-T746 HydrophobicContact CD2-CG2 3.8Å; L731-F748 HydrophobicContact CD2-CD1 4.11Å; L731-F748 HydrophobicContact CD2-CE1 3.38Å; L731-F748 HydrophobicContact CD2-CZ 4.08Å
732N82.1Confident85.7Confident3 Ų340.1 Ų40.12%0.01621%0.213CC..  trans-75.9-23.8-155.7-47.82000112C725 S726 D728 N729 F730 E752 V754C725-N732 CarbonylContact C-O 3.08Å; C725-N732 WeakPolarHBondContact CA-O 3.37Å; S726-N732 PolarHBondContact N-O 3.27Å; D728-N732 WeakPolarHBondContact CB-OD1 3.47Å; D728-N732 PolarHBondContact O-ND2 2.92Å; D728-N732 PolarHBondContact O-OD1 3.04Å; N729-N732 PolarHBondContact N-OD1 3.42Å; N729-N732 PolarHBondContact O-ND2 3.02Å; N729-N732 PolarHBondContact O-OD1 3.33Å; F730-N732 WeakPolarHBondContact CA-OD1 3.42Å; F730-N732 PolarHBondContact N-OD1 3.17Å; N732-E752 PolarHBondContact ND2-O 3.2Å; N732-E752 VanDerWaalsContact ND2-O 3.14Å; N732-V754 HydrophobicContact CB-CB 4.3Å; N732-V754 HydrophobicContact CB-CG2 3.59Å
733V89.1Confident85.2Confident2 Ų241 Ų411%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-125.6126.2-176-162.40000111.5T724 C725 L731 M747 V754 L766 T768T724-V733 WeakPolarHBondContact O-CA 3.49Å; T724-V733 WeakPolarHBondContact O-CG1 3.43Å; C725-V733 HydrophobicContact CB-CG2 4.36Å; L731-V733 VanDerWaalsContact C-N 3.33Å; L731-V733 PolarHBondContact O-N 3.33Å; V733-M747 HydrophobicContact CB-CB 4.38Å; V733-M747 HydrophobicContact CB-CE 3.88Å; V733-M747 HydrophobicContact CG1-CE 3.29Å; V733-M747 PolarHBondContact O-N 3.04Å; V733-V754 HydrophobicContact CG2-CB 4.26Å; V733-V754 HydrophobicContact CG2-CG1 3.99Å; V733-V754 HydrophobicContact CG2-CG2 3.96Å; V733-L766 HydrophobicContact CG1-CD2 4.17Å; V733-T768 HydrophobicContact CG1-CG2 3.95Å; V733-T768 HydrophobicContact CG2-CG2 4Å
734K91.4Very high84.8Confident9 Ų944.1 Ų44.14%0.03923%0.234CC..EExtended strand (participates in β ladder)trans-128146.3-178.5-65.7179.4-174-101.70111.4E703 H704 A723 T724 W736 T746E703-K734 HydrophobicContact CB-CD 4.37Å; E703-K734 WeakPolarHBondContact O-CE 3.19Å; E703-K734 PolarHBondContact O-NZ 3.44Å; E703-K734 VanDerWaalsContact O-NZ 3.1Å; E703-K734 IonicContact OE2-NZ 2.87Å; E703-K734 PolarHBondContact OE2-NZ 2.73Å; H704-K734 VanDerWaalsContact CE1-CD 3.48Å; H704-K734 WeakPolarHBondContact CE1-CD 3.37Å; A723-K734 WeakPolarHBondContact CA-O 3.35Å; T724-K734 PolarHBondContact N-O 3.36Å; T724-K734 PolarHBondContact O-N 2.97Å; K734-W736 HydrophobicContact CB-CZ2 3.94Å; K734-W736 HydrophobicContact CD-CH2 4.02Å; K734-W736 HydrophobicContact CD-CZ2 3.56Å; K734-W736 HydrophobicContact CG-CZ2 4.42Å; K734-T746 HydrophobicContact CG-CG2 4.16Å
735I91.8Very high84.5Confident0 Ų046 Ų460%024%0.244CC..EExtended strand (participates in β ladder)trans-114.7124.9172.8-59177.9000108.4L721 L722 Q744 N745 M747 V780L721-I735 HydrophobicContact CB-CG2 4.07Å; L721-I735 HydrophobicContact CD1-CG2 4.16Å; L721-I735 HydrophobicContact CD2-CG2 4.37Å; L721-I735 HydrophobicContact CG-CG2 4.44Å; L722-I735 CarbonylContact O-C 3.6Å; L722-I735 WeakPolarHBondContact O-CA 3.35Å; I735-Q744 WeakPolarHBondContact O-CA 3.2Å; I735-Q744 WeakPolarHBondContact O-CB 3.48Å; I735-Q744 PolarHBondContact O-N 3.12Å; I735-N745 HydrophobicContact CB-CB 4.31Å; I735-N745 PolarHBondContact N-O 3.41Å; I735-N745 PolarHBondContact O-N 3.1Å; I735-M747 HydrophobicContact CD1-CE 3.82Å; I735-M747 HydrophobicContact CD1-SD 3.86Å; I735-M747 HydrophobicContact CG1-CE 3.73Å; I735-M747 HydrophobicContact CG1-SD 4.39Å; I735-V780 HydrophobicContact CD1-CG1 4.42Å
736W90Very high84.2Confident3 Ų347.8 Ų47.81%0.01126%0.255CS..EExtended strand (participates in β ladder)trans-107.4142.3-177.2-50.489.3000110.8F700 E703 L721 L722 T724 K734 S743F700-W736 HydrophobicContact CB-CE3 4.2Å; F700-W736 HydrophobicContact CB-CH2 3.98Å; F700-W736 HydrophobicContact CB-CZ2 4.43Å; F700-W736 HydrophobicContact CB-CZ3 3.85Å; F700-W736 HydrophobicContact CD1-CD2 4.24Å; F700-W736 AromaticContact CD1-CE3 3.37Å; F700-W736 HydrophobicContact CD1-CE3 3.37Å; F700-W736 HydrophobicContact CD1-CH2 4.48Å; F700-W736 AromaticContact CD1-CZ3 3.53Å; F700-W736 HydrophobicContact CD1-CZ3 3.53Å; F700-W736 HydrophobicContact CD2-CD2 4.31Å; F700-W736 HydrophobicContact CD2-CE3 4.23Å; F700-W736 HydrophobicContact CE1-CD2 4.47Å; F700-W736 AromaticContact CE1-CE3 3.68Å; F700-W736 HydrophobicContact CE1-CE3 3.68Å; F700-W736 HydrophobicContact CE1-CZ3 4.25Å; F700-W736 HydrophobicContact CE2-CB 4.36Å; F700-W736 HydrophobicContact CE2-CE3 4.48Å; F700-W736 HydrophobicContact CE2-CG 4.49Å; F700-W736 HydrophobicContact CG-CD2 4.14Å; F700-W736 AromaticContact CG-CE3 3.67Å; F700-W736 HydrophobicContact CG-CE3 3.67Å; F700-W736 HydrophobicContact CG-CH2 4.37Å; F700-W736 AromaticContact CG-CZ3 3.8Å; F700-W736 HydrophobicContact CG-CZ3 3.8Å; F700-W736 HydrophobicContact CZ-CB 4.25Å; F700-W736 HydrophobicContact CZ-CE3 4.23Å; E703-W736 HydrophobicContact CB-CH2 3.65Å; E703-W736 HydrophobicContact CB-CZ2 4.46Å; E703-W736 VanDerWaalsContact CD-CH2 3.48Å; E703-W736 HydrophobicContact CG-CH2 4.02Å; E703-W736 HydrophobicContact CG-CZ3 4.49Å; E703-W736 WeakPolarHBondContact OE2-CH2 3.4Å; L721-W736 WeakPolarHBondContact CA-O 3.26Å; L722-W736 HydrophobicContact CB-CB 4.18Å; L722-W736 PolarHBondContact N-O 3.44Å; L722-W736 VanDerWaalsContact O-CD1 3.25Å; L722-W736 PolarHBondContact O-N 3.23Å; T724-W736 PolarHBondContact OG1-NE1 3.07Å; K734-W736 HydrophobicContact CB-CZ2 3.94Å; K734-W736 HydrophobicContact CD-CH2 4.02Å; K734-W736 HydrophobicContact CD-CZ2 3.56Å; K734-W736 HydrophobicContact CG-CZ2 4.42Å; W736-S743 VanDerWaalsContact CE3-CA 3.45Å; W736-S743 VanDerWaalsContact CZ3-N 3.27Å
737N88.6Confident83.9Confident30 Ų3048 Ų4816%0.1626%0.256CS..EExtended strand (participates in β ladder)trans-114.2121.4166.3-174.7-30.1000107.2L721 N739 K740 Q744L721-N737 HydrophobicContact CD2-CB 4.05Å; N737-N739 PolarHBondContact O-N 3.43Å; N737-N739 WeakPolarHBondContact OD1-CB 3.23Å; N737-N739 PolarHBondContact OD1-N 3.49Å; N737-N739 VanDerWaalsContact OD1-N 3.12Å; N737-N739 PolarHBondContact OD1-ND2 3.1Å; N737-K740 HydrophobicContact CB-CB 4.46Å; N737-K740 HydrophobicContact CB-CD 4.44Å; N737-K740 HydrophobicContact CB-CG 4.41Å; N737-K740 PolarHBondContact O-N 3.37Å; N737-Q744 HydrophobicContact CB-CB 4.22Å; N737-Q744 VanDerWaalsContact CB-OE1 3.26Å; N737-Q744 PolarHBondContact ND2-OE1 3Å
738L84.6Confident83.6Confident19 Ų1952.4 Ų52.410%0.09927%0.273CS..THydrogen-bonded Turntrans-60.4-23.3-174.9-62.8175.8000113.1L676 V688 F700 F713 L720 K740L676-L738 HydrophobicContact CD1-CD1 3.53Å; V688-L738 HydrophobicContact CB-CD2 4.36Å; V688-L738 HydrophobicContact CG1-CD2 4.16Å; V688-L738 HydrophobicContact CG2-CD2 3.8Å; F700-L738 HydrophobicContact CE2-CD2 4.16Å; F700-L738 HydrophobicContact CZ-CD2 4.16Å; F713-L738 HydrophobicContact CE1-CD1 4.16Å; L720-L738 HydrophobicContact CD2-CD1 3.56Å; L720-L738 HydrophobicContact CG-CD1 4.01Å; L738-K740 VanDerWaalsContact C-N 3.28Å; L738-K740 PolarHBondContact O-N 2.65Å
739N84.4Confident83Confident149 Ų14953.1 Ų53.180%0.79728%0.283SS*.THydrogen-bonded Turntrans-76.6-12.8176.5-59.7-51.9000113.4N737N737-N739 PolarHBondContact O-N 3.43Å; N737-N739 WeakPolarHBondContact OD1-CB 3.23Å; N737-N739 PolarHBondContact OD1-N 3.49Å; N737-N739 VanDerWaalsContact OD1-N 3.12Å; N737-N739 PolarHBondContact OD1-ND2 3.1Å
740K81.9Confident83.6Confident97 Ų9748.2 Ų48.242%0.42226%0.256SS..SBendtrans-107150.8179.5-68.9-176.2177.5-177.70111R698 N737 L738R698-K740 PolarHBondContact NH2-O 3.36Å; N737-K740 HydrophobicContact CB-CB 4.46Å; N737-K740 HydrophobicContact CB-CD 4.44Å; N737-K740 HydrophobicContact CB-CG 4.41Å; N737-K740 PolarHBondContact O-N 3.37Å; L738-K740 VanDerWaalsContact C-N 3.28Å; L738-K740 PolarHBondContact O-N 2.65Å
741P74.1Confident84.2Confident105 Ų10548.8 Ų48.868%0.68226%0.259SS*.SBendtrans-78.4-31.2175.630.4-32.8000114.1
742S80.4Confident84.8Confident62 Ų6250.4 Ų50.443%0.43426%0.264SS..SBendtrans-105168.8176.864.60000111.4E703E703-S742 WeakPolarHBondContact OE1-CA 3.42Å; E703-S742 WeakPolarHBondContact OE1-CB 3.32Å
743S82.9Confident85.1Confident20 Ų2051.2 Ų51.214%0.1427%0.27CS..EExtended strand (participates in β ladder)trans-54.5141.8168.859.70000110.3E703 W736E703-S743 PolarHBondContact OE1-N 3.42Å; E703-S743 PolarHBondContact OE1-OG 3.27Å; E703-S743 WeakPolarHBondContact OE2-CB 3Å; E703-S743 PolarHBondContact OE2-OG 2.96Å; W736-S743 VanDerWaalsContact CE3-CA 3.45Å; W736-S743 VanDerWaalsContact CZ3-N 3.27Å
744Q85.8Confident85.3Confident64 Ų6451.1 Ų51.130%0.29927%0.269SS..EExtended strand (participates in β ladder)trans-76-45.5176.4178172.8-49.300110I735 N737I735-Q744 WeakPolarHBondContact O-CA 3.2Å; I735-Q744 WeakPolarHBondContact O-CB 3.48Å; I735-Q744 PolarHBondContact O-N 3.12Å; N737-Q744 HydrophobicContact CB-CB 4.22Å; N737-Q744 VanDerWaalsContact CB-OE1 3.26Å; N737-Q744 PolarHBondContact ND2-OE1 3Å
745N87.1Confident85.2Confident41 Ų4152.6 Ų52.622%0.21928%0.278CS..EExtended strand (participates in β ladder)trans-140.1144.6179.8-64.4-39.8000109.8I735 A783I735-N745 HydrophobicContact CB-CB 4.31Å; I735-N745 PolarHBondContact N-O 3.41Å; I735-N745 PolarHBondContact O-N 3.1Å; N745-A783 HydrophobicContact CB-CB 3.6Å
746T87.3Confident85.4Confident37 Ų3752.9 Ų52.923%0.22728%0.279CS..EExtended strand (participates in β ladder)trans-117128.6166.9-580000107.8L731 K734L731-T746 HydrophobicContact CB-CG2 4.17Å; L731-T746 HydrophobicContact CD2-CG2 3.8Å; K734-T746 HydrophobicContact CG-CG2 4.16Å
747M84.8Confident85.6Confident4 Ų452.7 Ų52.72%0.0228%0.278CS..EExtended strand (participates in β ladder)trans-103137.9-176.5-67.9172.1-6000110V733 I735 L766 F778 A783V733-M747 HydrophobicContact CB-CB 4.38Å; V733-M747 HydrophobicContact CB-CE 3.88Å; V733-M747 HydrophobicContact CG1-CE 3.29Å; V733-M747 PolarHBondContact O-N 3.04Å; I735-M747 HydrophobicContact CD1-CE 3.82Å; I735-M747 HydrophobicContact CD1-SD 3.86Å; I735-M747 HydrophobicContact CG1-CE 3.73Å; I735-M747 HydrophobicContact CG1-SD 4.39Å; M747-L766 HydrophobicContact CE-CD2 3.35Å; M747-L766 HydrophobicContact SD-CD2 4.23Å; M747-F778 HydrophobicContact CB-CD1 4.01Å; M747-F778 HydrophobicContact CB-CE1 3.92Å; M747-F778 HydrophobicContact CB-CG 4.44Å; M747-F778 HydrophobicContact CB-CZ 4.23Å; M747-F778 HydrophobicContact CG-CD1 4.02Å; M747-F778 HydrophobicContact CG-CE1 4.42Å; M747-F778 HydrophobicContact CG-CG 4.32Å; M747-F778 HydrophobicContact SD-CB 3.5Å; M747-F778 WeakPolarHBondContact SD-CB 3.4Å; M747-F778 HydrophobicContact SD-CD1 3.87Å; M747-F778 HydrophobicContact SD-CD2 4.14Å; M747-F778 HydrophobicContact SD-CG 3.57Å; M747-F778 VanDerWaalsContact SD-CG 3.57Å; M747-A783 HydrophobicContact CG-CB 4.13Å
748F82.5Confident85.8Confident136 Ų13652 Ų5260%0.59628%0.276SS*.  trans-109.8148.7-176.9-55.8-89000109.9L731 F778L731-F748 HydrophobicContact CD2-CD1 4.11Å; L731-F748 HydrophobicContact CD2-CE1 3.38Å; L731-F748 HydrophobicContact CD2-CZ 4.08Å; F748-F778 WeakPolarHBondContact O-CE1 3.44Å; F748-F778 WeakPolarHBondContact O-CZ 3.19Å
749G74.1Confident86.3Confident22 Ų2251.3 Ų51.323%0.22727%0.272CS..  trans151.2-25.9165.400000115.5K776G749-K776 VanDerWaalsContact C-CE 3.45Å; G749-K776 WeakPolarHBondContact O-CE 3.35Å
750H86.2Confident86.7Confident8 Ų844.2 Ų44.24%0.03723%0.234CC..  trans-84141.6176.7-72.4-64.3000111.1V754 T768 S770 D772 T774H750-V754 HydrophobicContact CB-CG2 3.67Å; H750-V754 VanDerWaalsContact CD2-CG2 3.45Å; H750-V754 WeakPolarHBondContact CD2-CG2 3.39Å; H750-T768 PolarHBondContact NE2-OG1 3.44Å; H750-T768 VanDerWaalsContact NE2-OG1 3.17Å; H750-S770 WeakPolarHBondContact ND1-CB 3.35Å; H750-D772 IonicContact CE1-OD2 3.13Å; H750-D772 IonicContact CG-OD2 2.79Å; H750-D772 IonicContact ND1-OD1 3.23Å; H750-D772 IonicContact ND1-OD2 3.95Å; H750-D772 PolarHBondContact ND1-OD2 2.86Å; H750-T774 PolarHBondContact CE1-OG1 2.65Å; H750-T774 VanDerWaalsContact CE1-OG1 3.29Å; H750-T774 PolarHBondContact ND1-OG1 3.15Å
751F83.9Confident87Confident148 Ų14842.1 Ų42.165%0.64923%0.23SC*.SBendtrans-105.5-10.8179.4-61.9-74.9000113.2F730F730-F751 HydrophobicContact CE1-CD1 4.28Å
752E87Confident87.6Confident100 Ų10042 Ų4247%0.46722%0.223SC..SBendtrans-126.8168.3178.2-74-68.7161.200109.3N732 V754 S770 N771 D772N732-E752 PolarHBondContact ND2-O 3.2Å; N732-E752 VanDerWaalsContact ND2-O 3.14Å; E752-V754 PolarHBondContact O-N 3.31Å; E752-S770 PolarHBondContact O-OG 3.25Å; E752-S770 VanDerWaalsContact O-OG 3.13Å; E752-N771 HydrophobicContact CB-CB 4.05Å; E752-D772 HydrophobicContact CB-CB 3.94Å; E752-D772 HydrophobicContact CG-CB 4.1Å
753P89.1Confident88.1Confident20 Ų2040.1 Ų40.113%0.1321%0.209CC..  trans-50.2139.3177.9-33.138.9000114.3N727 S770 N771N727-P753 HydrophobicContact CB-CB 4.33Å; N727-P753 HydrophobicContact CB-CG 4.36Å; N727-P753 WeakPolarHBondContact OD1-CB 3.37Å; P753-S770 WeakPolarHBondContact O-CA 3.28Å; P753-S770 WeakPolarHBondContact O-CB 3.48Å; P753-S770 PolarHBondContact O-OG 3.36Å; P753-N771 PolarHBondContact O-N 3.2Å; P753-N771 VanDerWaalsContact O-N 3.1Å
754V92.7Very high88.5Confident0 Ų040.9 Ų40.90%022%0.216CC..EExtended strand (participates in β ladder)trans-98.3117.4177.3-177.70000108.6N709 C725 S726 N732 V733 H750 E752 S769N709-V754 PolarHBondContact ND2-O 3.18Å; C725-V754 HydrophobicContact CB-CB 3.87Å; C725-V754 HydrophobicContact CB-CG1 3.54Å; C725-V754 PolarHBondContact SG-O 3.22Å; S726-V754 PolarHBondContact O-N 3.13Å; N732-V754 HydrophobicContact CB-CB 4.3Å; N732-V754 HydrophobicContact CB-CG2 3.59Å; V733-V754 HydrophobicContact CG2-CB 4.26Å; V733-V754 HydrophobicContact CG2-CG1 3.99Å; V733-V754 HydrophobicContact CG2-CG2 3.96Å; H750-V754 HydrophobicContact CB-CG2 3.67Å; H750-V754 VanDerWaalsContact CD2-CG2 3.45Å; H750-V754 WeakPolarHBondContact CD2-CG2 3.39Å; E752-V754 PolarHBondContact O-N 3.31Å; V754-S769 CarbonylContact C-O 3.53Å; V754-S769 WeakPolarHBondContact CG1-O 3.42Å
755N91.1Very high88.8Confident40 Ų4040.8 Ų40.821%0.21421%0.214CC..EExtended strand (participates in β ladder)trans-84.5-36.5-172.7-62.3-41.3000112.5S769 N771 V805 K806N755-S769 PolarHBondContact N-O 3.36Å; N755-N771 PolarHBondContact ND2-OD1 2.8Å; N755-V805 PolarHBondContact ND2-O 3.35Å; N755-K806 WeakPolarHBondContact CB-O 3.2Å
756H94.3Very high89.1Confident5 Ų538.9 Ų38.92%0.02320%0.203CC..EExtended strand (participates in β ladder)trans-146.9142.6-169.8-170.1-97.1000111.8H710 T768 S769 K806 S808 Y849H710-H756 AromaticContact CD2-CD2 3.21Å; H710-H756 PolarHBondContact CD2-CD2 3.16Å; H710-H756 AromaticContact CD2-NE2 3.73Å; H710-H756 AromaticContact NE2-CD2 3.38Å; H710-H756 PolarHBondContact NE2-CD2 3.12Å; H710-H756 AromaticContact NE2-NE2 3.34Å; H710-H756 PolarHBondContact NE2-NE2 2.73Å; H756-T768 WeakPolarHBondContact O-CA 3.15Å; H756-S769 PolarHBondContact N-O 3.43Å; H756-S769 PolarHBondContact O-N 3.23Å; H756-K806 WeakPolarHBondContact CB-O 3.46Å; H756-S808 PolarHBondContact CE1-O 2.59Å; H756-S808 PolarHBondContact ND1-O 2.95Å; H756-S808 VanDerWaalsContact ND1-O 3.14Å; H756-Y849 AromaticContact CD2-CE2 3.69Å; H756-Y849 AromaticContact NE2-CE2 3.64Å; H756-Y849 AromaticContact NE2-CZ 3.63Å; H756-Y849 PolarHBondContact NE2-OH 2.89Å
757C94.3Very high89.4Confident0 Ų037.1 Ų37.10%019%0.192CC..EExtended strand (participates in β ladder)trans-132.8135.9171.762.20000109.4C725 L766 S767 T768C725-C757 HydrophobicContact CB-CB 4.4Å; C757-L766 HydrophobicContact CB-CD1 4.33Å; C757-S767 CarbonylContact C-O 3.6Å; C757-S767 VanDerWaalsContact CA-O 3.25Å; C757-S767 WeakPolarHBondContact CA-O 3.38Å; C757-T768 HydrophobicContact CB-CG2 4.19Å
758C94.1Very high89.8Confident16 Ų1636.9 Ų36.911%0.10819%0.192CC..EExtended strand (participates in β ladder)trans-144.8129.4-179.5178.80000112.3E712 S767 W810E712-C758 PolarHBondContact OE1-SG 3.45Å; E712-C758 WeakPolarHBondContact OE2-CA 3.11Å; C758-S767 PolarHBondContact N-O 2.92Å; C758-S767 PolarHBondContact O-N 3.18Å; C758-S767 PolarHBondContact O-OG 2.87Å; C758-W810 PolarHBondContact O-NE1 2.96Å
759F94.1Very high90.3Very high3 Ų330.4 Ų30.41%0.01316%0.163CC..EExtended strand (participates in β ladder)trans-72.7146.1178.6-77.7-75.5000111.1E712 F713 T714 A723 L766 V780 W810E712-F759 HydrophobicContact CG-CD2 4.47Å; E712-F759 PolarHBondContact OE1-N 3.48Å; E712-F759 VanDerWaalsContact OE1-N 3.11Å; F713-F759 WeakPolarHBondContact O-CD2 3.39Å; T714-F759 HydrophobicContact CG2-CD1 4.42Å; T714-F759 HydrophobicContact CG2-CD2 4.44Å; T714-F759 HydrophobicContact CG2-CE1 4.11Å; T714-F759 HydrophobicContact CG2-CE2 4.12Å; T714-F759 HydrophobicContact CG2-CZ 3.95Å; A723-F759 HydrophobicContact CB-CE2 3.58Å; A723-F759 HydrophobicContact CB-CZ 3.67Å; F759-L766 HydrophobicContact CD1-CB 4.4Å; F759-L766 HydrophobicContact CD1-CD1 3.82Å; F759-L766 HydrophobicContact CD2-CD1 4.13Å; F759-L766 HydrophobicContact CE1-CB 4.44Å; F759-L766 HydrophobicContact CE1-CD1 3.91Å; F759-L766 HydrophobicContact CE2-CD1 4.22Å; F759-L766 HydrophobicContact CG-CD1 3.93Å; F759-L766 HydrophobicContact CZ-CD1 4.12Å; F759-V780 HydrophobicContact CD1-CG2 3.94Å; F759-V780 HydrophobicContact CE1-CG1 4.19Å; F759-V780 HydrophobicContact CE1-CG2 3.69Å; F759-W810 VanDerWaalsContact O-CD1 3.31Å
760S92.6Very high91.2Very high1 Ų129.4 Ų29.41%0.00715%0.152CC..  trans-64.3156168.559.10000110.3N715 D762 D763 A764 Y765N715-S760 PolarHBondContact ND2-O 3.05Å; S760-D762 VanDerWaalsContact CB-OD1 3.27Å; S760-D762 WeakPolarHBondContact CB-OD1 2.99Å; S760-D762 PolarHBondContact O-N 3Å; S760-D762 PolarHBondContact OG-OD1 3.36Å; S760-D763 PolarHBondContact O-N 2.93Å; S760-A764 PolarHBondContact OG-N 3.39Å; S760-Y765 PolarHBondContact N-O 3.44Å; S760-Y765 PolarHBondContact OG-N 3.14Å; S760-Y765 PolarHBondContact OG-O 3.44Å; S760-Y765 VanDerWaalsContact OG-O 3.14Å
761P88.6Confident91.3Very high52 Ų5231.1 Ų31.134%0.33816%0.162SC..THydrogen-bonded Turntrans-57.3-23.4-179.4-26.734.9000114.7W810P761-W810 HydrophobicContact CG-CB 4.3Å
762D87.8Confident91.5Very high102 Ų10226 Ų2655%0.54514%0.141SC..THydrogen-bonded Turntrans-97.42.5177.367.5-13.4000114.2S760 A764S760-D762 VanDerWaalsContact CB-OD1 3.27Å; S760-D762 WeakPolarHBondContact CB-OD1 2.99Å; S760-D762 PolarHBondContact O-N 3Å; S760-D762 PolarHBondContact OG-OD1 3.36Å; D762-A764 PolarHBondContact O-N 3.28Å; D762-A764 VanDerWaalsContact O-N 3.07Å; D762-A764 PolarHBondContact OD1-N 3.26Å; D762-A764 WeakPolarHBondContact OD2-CB 3.31Å
763D90.8Very high91.5Very high23 Ų2321.3 Ų21.312%0.12312%0.12CC..SBendtrans5712.5-175.2-59-34.5000115.5T714 N715 M716 S760 V780T714-D763 HydrophobicContact CG2-CB 4.35Å; N715-D763 WeakPolarHBondContact CB-OD1 3.48Å; N715-D763 VanDerWaalsContact N-CG 3.35Å; N715-D763 PolarHBondContact N-OD1 3.28Å; N715-D763 PolarHBondContact N-OD2 3.19Å; N715-D763 VanDerWaalsContact N-OD2 3.15Å; N715-D763 PolarHBondContact ND2-OD1 3.49Å; M716-D763 WeakPolarHBondContact CA-OD2 3.38Å; M716-D763 WeakPolarHBondContact CB-OD2 3.46Å; M716-D763 WeakPolarHBondContact CG-OD2 3.5Å; M716-D763 PolarHBondContact N-OD2 3.42Å; S760-D763 PolarHBondContact O-N 2.93Å; D763-V780 WeakPolarHBondContact O-CG2 3.41Å
764A89.8Confident91.6Very high36 Ų3621.2 Ų21.230%0.29812%0.119SC..SBendtrans-76-32.118000000112.3S760 D762 V780S760-A764 PolarHBondContact OG-N 3.39Å; D762-A764 PolarHBondContact O-N 3.28Å; D762-A764 VanDerWaalsContact O-N 3.07Å; D762-A764 PolarHBondContact OD1-N 3.26Å; D762-A764 WeakPolarHBondContact OD2-CB 3.31Å; A764-V780 PolarHBondContact O-N 2.89Å
765Y92.3Very high91.6Very high63 Ų6321.2 Ų21.225%0.24712%0.119CC..EExtended strand (participates in β ladder)trans-125.9154.2-176.2-57-79.4000111.6S760 F778 Q779 W786S760-Y765 PolarHBondContact N-O 3.44Å; S760-Y765 PolarHBondContact OG-N 3.14Å; S760-Y765 PolarHBondContact OG-O 3.44Å; S760-Y765 VanDerWaalsContact OG-O 3.14Å; Y765-F778 CarbonylContact C-O 3.54Å; Y765-F778 VanDerWaalsContact CA-O 3.24Å; Y765-F778 WeakPolarHBondContact CA-O 3.2Å; Y765-Q779 HydrophobicContact CD1-CB 4.43Å; Y765-Q779 HydrophobicContact CE1-CB 4.46Å; Y765-Q779 HydrophobicContact CE1-CG 4.38Å; Y765-W786 HydrophobicContact CD1-CD2 4.3Å; Y765-W786 AromaticContact CD1-CE3 3.78Å; Y765-W786 HydrophobicContact CD1-CE3 3.78Å; Y765-W786 HydrophobicContact CD1-CZ3 4.26Å; Y765-W786 AromaticContact CE1-CD2 3.83Å; Y765-W786 HydrophobicContact CE1-CD2 3.83Å; Y765-W786 AromaticContact CE1-CE3 3.66Å; Y765-W786 HydrophobicContact CE1-CE3 3.66Å; Y765-W786 HydrophobicContact CE1-CG 4.28Å; Y765-W786 HydrophobicContact CE1-CZ3 4.07Å; Y765-W786 HydrophobicContact CG-CE3 4.49Å
766L93.5Very high91.7Very high0 Ų020.2 Ų20.20%011%0.112CC..EExtended strand (participates in β ladder)trans-121.5126171.8-178.474.7000108.7A723 V733 M747 C757 F759 T768 L777 F778 V780A723-L766 HydrophobicContact CB-CD1 3.92Å; A723-L766 HydrophobicContact CB-CD2 4.1Å; V733-L766 HydrophobicContact CG1-CD2 4.17Å; M747-L766 HydrophobicContact CE-CD2 3.35Å; M747-L766 HydrophobicContact SD-CD2 4.23Å; C757-L766 HydrophobicContact CB-CD1 4.33Å; F759-L766 HydrophobicContact CD1-CB 4.4Å; F759-L766 HydrophobicContact CD1-CD1 3.82Å; F759-L766 HydrophobicContact CD2-CD1 4.13Å; F759-L766 HydrophobicContact CE1-CB 4.44Å; F759-L766 HydrophobicContact CE1-CD1 3.91Å; F759-L766 HydrophobicContact CE2-CD1 4.22Å; F759-L766 HydrophobicContact CG-CD1 3.93Å; F759-L766 HydrophobicContact CZ-CD1 4.12Å; L766-T768 HydrophobicContact CD2-CG2 4.13Å; L766-T768 HydrophobicContact CG-CG2 4.32Å; L766-L777 CarbonylContact O-C 3.55Å; L766-L777 WeakPolarHBondContact O-CA 3.38Å; L766-F778 PolarHBondContact N-O 3.39Å; L766-F778 PolarHBondContact O-N 2.88Å; L766-V780 HydrophobicContact CB-CG2 4.16Å
767S94.1Very high91.7Very high0 Ų020 Ų200%011%0.111CC..EExtended strand (participates in β ladder)trans-91.3142.9169.269.60000110.6C757 C758 K776 S808 W810C757-S767 CarbonylContact C-O 3.6Å; C757-S767 VanDerWaalsContact CA-O 3.25Å; C757-S767 WeakPolarHBondContact CA-O 3.38Å; C758-S767 PolarHBondContact N-O 2.92Å; C758-S767 PolarHBondContact O-N 3.18Å; C758-S767 PolarHBondContact O-OG 2.87Å; S767-K776 CarbonylContact C-O 3.56Å; S767-K776 WeakPolarHBondContact CA-O 3.33Å; S767-S808 PolarHBondContact OG-OG 3.38Å; S767-S808 VanDerWaalsContact OG-OG 3.1Å; S767-W810 PolarHBondContact OG-NE1 3.14Å
768T93.7Very high91.6Very high0 Ų020.1 Ų20.10%011%0.112CC..EExtended strand (participates in β ladder)trans-136.1135.917947.90000109.3V733 H750 H756 C757 L766 I775 K776 F778V733-T768 HydrophobicContact CG1-CG2 3.95Å; V733-T768 HydrophobicContact CG2-CG2 4Å; H750-T768 PolarHBondContact NE2-OG1 3.44Å; H750-T768 VanDerWaalsContact NE2-OG1 3.17Å; H756-T768 WeakPolarHBondContact O-CA 3.15Å; C757-T768 HydrophobicContact CB-CG2 4.19Å; L766-T768 HydrophobicContact CD2-CG2 4.13Å; L766-T768 HydrophobicContact CG-CG2 4.32Å; T768-I775 VanDerWaalsContact O-CA 3.29Å; T768-I775 WeakPolarHBondContact O-CA 3.47Å; T768-K776 PolarHBondContact N-O 3.23Å; T768-K776 PolarHBondContact O-N 3.48Å; T768-K776 WeakPolarHBondContact OG1-CB 3.07Å; T768-K776 PolarHBondContact OG1-O 3.37Å; T768-F778 HydrophobicContact CG2-CD2 4.24Å; T768-F778 HydrophobicContact CG2-CE2 4.31Å; T768-F778 VanDerWaalsContact OG1-CE2 3.32Å; T768-F778 WeakPolarHBondContact OG1-CE2 3.38Å
769S93.4Very high91.4Very high0 Ų022.9 Ų22.90%012%0.123CC..EExtended strand (participates in β ladder)trans-120.8132.1-177.4-650000110.7V754 N755 H756 S808V754-S769 CarbonylContact C-O 3.53Å; V754-S769 WeakPolarHBondContact CG1-O 3.42Å; N755-S769 PolarHBondContact N-O 3.36Å; H756-S769 PolarHBondContact N-O 3.43Å; H756-S769 PolarHBondContact O-N 3.23Å; S769-S808 WeakPolarHBondContact OG-CB 3.47Å; S769-S808 PolarHBondContact OG-N 3.02Å; S769-S808 PolarHBondContact OG-OG 2.83Å
770S92.4Very high91.2Very high0 Ų023.2 Ų23.20%013%0.126CC..EExtended strand (participates in β ladder)trans-132.1160.9-174.3176.50000113.6H750 E752 P753 D772 G773 T774 V805H750-S770 WeakPolarHBondContact ND1-CB 3.35Å; E752-S770 PolarHBondContact O-OG 3.25Å; E752-S770 VanDerWaalsContact O-OG 3.13Å; P753-S770 WeakPolarHBondContact O-CA 3.28Å; P753-S770 WeakPolarHBondContact O-CB 3.48Å; P753-S770 PolarHBondContact O-OG 3.36Å; S770-D772 WeakPolarHBondContact CB-OD1 3.44Å; S770-D772 PolarHBondContact O-N 2.95Å; S770-D772 PolarHBondContact OG-N 3.42Å; S770-D772 PolarHBondContact OG-OD1 2.57Å; S770-G773 PolarHBondContact O-N 2.85Å; S770-T774 PolarHBondContact N-O 3.08Å; S770-V805 PolarHBondContact O-N 2.91Å
771N88.5Confident90.9Very high44 Ų4427.1 Ų27.124%0.23515%0.153CC..THydrogen-bonded Turntrans-65.9-13.1169.7-74.1-19.3000113.6E752 P753 N755 G773 L804E752-N771 HydrophobicContact CB-CB 4.05Å; P753-N771 PolarHBondContact O-N 3.2Å; P753-N771 VanDerWaalsContact O-N 3.1Å; N755-N771 PolarHBondContact ND2-OD1 2.8Å; N771-G773 PolarHBondContact O-N 3.04Å; N771-L804 HydrophobicContact CB-CD2 3.79Å; N771-L804 WeakPolarHBondContact O-CD2 3.38Å
772D87.4Confident90.6Very high41 Ų4126.7 Ų26.722%0.21915%0.154CC..THydrogen-bonded Turntrans-70.2-4.4172.862.919.4000113.8H750 E752 S770 T774H750-D772 IonicContact CE1-OD2 3.13Å; H750-D772 IonicContact CG-OD2 2.79Å; H750-D772 IonicContact ND1-OD1 3.23Å; H750-D772 IonicContact ND1-OD2 3.95Å; H750-D772 PolarHBondContact ND1-OD2 2.86Å; E752-D772 HydrophobicContact CB-CB 3.94Å; E752-D772 HydrophobicContact CG-CB 4.1Å; S770-D772 WeakPolarHBondContact CB-OD1 3.44Å; S770-D772 PolarHBondContact O-N 2.95Å; S770-D772 PolarHBondContact OG-N 3.42Å; S770-D772 PolarHBondContact OG-OD1 2.57Å; D772-T774 VanDerWaalsContact CG-OG1 3.25Å; D772-T774 WeakPolarHBondContact OD1-CA 3.44Å; D772-T774 VanDerWaalsContact OD1-CB 3.27Å; D772-T774 WeakPolarHBondContact OD1-CB 3.36Å; D772-T774 WeakPolarHBondContact OD1-CG2 3.35Å; D772-T774 PolarHBondContact OD1-N 3.34Å; D772-T774 PolarHBondContact OD1-OG1 3.43Å; D772-T774 PolarHBondContact OD2-OG1 2.91Å
773G87.9Confident90.4Very high1 Ų122.7 Ų22.71%0.0114%0.135CC..SBendtrans86.39.4-178.800000114.3S770 N771 V791 V803S770-G773 PolarHBondContact O-N 2.85Å; N771-G773 PolarHBondContact O-N 3.04Å; G773-V791 VanDerWaalsContact O-CB 3.31Å; G773-V791 WeakPolarHBondContact O-CB 3.26Å; G773-V791 PolarHBondContact O-N 2.71Å; G773-V803 WeakPolarHBondContact CA-O 3.26Å; G773-V803 PolarHBondContact N-O 3.25Å
774T90.9Very high90.2Very high18 Ų1826.7 Ų26.711%0.1116%0.156CC..EExtended strand (participates in β ladder)trans-113.1152.4-17675.10000113.4H750 S770 D772 T788 I789H750-T774 PolarHBondContact CE1-OG1 2.65Å; H750-T774 VanDerWaalsContact CE1-OG1 3.29Å; H750-T774 PolarHBondContact ND1-OG1 3.15Å; S770-T774 PolarHBondContact N-O 3.08Å; D772-T774 VanDerWaalsContact CG-OG1 3.25Å; D772-T774 WeakPolarHBondContact OD1-CA 3.44Å; D772-T774 VanDerWaalsContact OD1-CB 3.27Å; D772-T774 WeakPolarHBondContact OD1-CB 3.36Å; D772-T774 WeakPolarHBondContact OD1-CG2 3.35Å; D772-T774 PolarHBondContact OD1-N 3.34Å; D772-T774 PolarHBondContact OD1-OG1 3.43Å; D772-T774 PolarHBondContact OD2-OG1 2.91Å; T774-T788 HydrophobicContact CG2-CG2 4.3Å; T774-I789 WeakPolarHBondContact CA-O 3.23Å
775I93.1Very high90.2Very high0 Ų029.1 Ų29.10%016%0.161CC..EExtended strand (participates in β ladder)trans-114.3121.3165.4-57.6160000107.6T768 L777 I789 V791 V805 I817 C819 F828T768-I775 VanDerWaalsContact O-CA 3.29Å; T768-I775 WeakPolarHBondContact O-CA 3.47Å; I775-L777 HydrophobicContact CG2-CD2 4.45Å; I775-I789 HydrophobicContact CB-CB 4.35Å; I775-I789 PolarHBondContact N-O 2.88Å; I775-I789 PolarHBondContact O-N 2.77Å; I775-V791 HydrophobicContact CD1-CG2 3.91Å; I775-V791 HydrophobicContact CG1-CG2 4.23Å; I775-V805 HydrophobicContact CD1-CG1 4.45Å; I775-V805 HydrophobicContact CG1-CG1 4.04Å; I775-I817 HydrophobicContact CG2-CD1 3.85Å; I775-C819 HydrophobicContact CD1-CB 3.36Å; I775-C819 HydrophobicContact CG1-CB 4.33Å; I775-F828 HydrophobicContact CD1-CE2 4.48Å
776K92.9Very high90Very high19 Ų1930.9 Ų30.98%0.08317%0.168CC..EExtended strand (participates in β ladder)trans-107.5136.3175.9-69-178.1176.1-85.50111G749 S767 T768 F778 E785 K787 T788G749-K776 VanDerWaalsContact C-CE 3.45Å; G749-K776 WeakPolarHBondContact O-CE 3.35Å; S767-K776 CarbonylContact C-O 3.56Å; S767-K776 WeakPolarHBondContact CA-O 3.33Å; T768-K776 PolarHBondContact N-O 3.23Å; T768-K776 PolarHBondContact O-N 3.48Å; T768-K776 WeakPolarHBondContact OG1-CB 3.07Å; T768-K776 PolarHBondContact OG1-O 3.37Å; K776-F778 HydrophobicContact CB-CD2 4.19Å; K776-F778 HydrophobicContact CB-CE2 3.47Å; K776-F778 VanDerWaalsContact CB-CE2 3.47Å; K776-F778 HydrophobicContact CB-CZ 3.98Å; K776-F778 HydrophobicContact CD-CE2 4.25Å; K776-F778 HydrophobicContact CD-CZ 3.99Å; K776-E785 IonicContact NZ-OE1 3.78Å; K776-E785 PolarHBondContact NZ-OE1 2.79Å; K776-E785 IonicContact NZ-OE2 2.68Å; K776-E785 PolarHBondContact NZ-OE2 2.79Å; K776-K787 WeakPolarHBondContact CA-O 3.37Å; K776-T788 HydrophobicContact CG-CG2 4.26Å; K776-T788 WeakPolarHBondContact CG-OG1 3.25Å; K776-T788 PolarHBondContact NZ-OG1 2.96Å
777L93Very high89.8Confident0 Ų032.9 Ų32.90%018%0.176CC..EExtended strand (participates in β ladder)trans-107.5120.2174.7-56.7-175.9000108.8L766 I775 W786 K787 W810 I817 V830L766-L777 CarbonylContact O-C 3.55Å; L766-L777 WeakPolarHBondContact O-CA 3.38Å; I775-L777 HydrophobicContact CG2-CD2 4.45Å; L777-W786 HydrophobicContact CB-CE3 4.05Å; L777-W786 HydrophobicContact CD1-CE3 4Å; L777-W786 HydrophobicContact CD1-CZ3 3.96Å; L777-W786 WeakPolarHBondContact O-CA 3.21Å; L777-W786 WeakPolarHBondContact O-CB 3.36Å; L777-W786 PolarHBondContact O-N 2.86Å; L777-K787 HydrophobicContact CB-CB 4.36Å; L777-K787 HydrophobicContact CD1-CB 4.33Å; L777-K787 PolarHBondContact N-O 3.31Å; L777-K787 PolarHBondContact O-N 2.8Å; L777-W810 HydrophobicContact CD1-CH2 4.23Å; L777-W810 HydrophobicContact CD2-CH2 3.9Å; L777-W810 HydrophobicContact CD2-CZ2 3.72Å; L777-I817 HydrophobicContact CD2-CD1 3.68Å; L777-V830 HydrophobicContact CD1-CG1 3.99Å
778F92Very high89.7Confident3 Ų335.5 Ų35.51%0.01319%0.192CC..EExtended strand (participates in β ladder)trans-110.7143.3179.1-67.5-87.3000110.8M747 F748 Y765 L766 T768 K776 N784 E785M747-F778 HydrophobicContact CB-CD1 4.01Å; M747-F778 HydrophobicContact CB-CE1 3.92Å; M747-F778 HydrophobicContact CB-CG 4.44Å; M747-F778 HydrophobicContact CB-CZ 4.23Å; M747-F778 HydrophobicContact CG-CD1 4.02Å; M747-F778 HydrophobicContact CG-CE1 4.42Å; M747-F778 HydrophobicContact CG-CG 4.32Å; M747-F778 HydrophobicContact SD-CB 3.5Å; M747-F778 WeakPolarHBondContact SD-CB 3.4Å; M747-F778 HydrophobicContact SD-CD1 3.87Å; M747-F778 HydrophobicContact SD-CD2 4.14Å; M747-F778 HydrophobicContact SD-CG 3.57Å; M747-F778 VanDerWaalsContact SD-CG 3.57Å; F748-F778 WeakPolarHBondContact O-CE1 3.44Å; F748-F778 WeakPolarHBondContact O-CZ 3.19Å; Y765-F778 CarbonylContact C-O 3.54Å; Y765-F778 VanDerWaalsContact CA-O 3.24Å; Y765-F778 WeakPolarHBondContact CA-O 3.2Å; L766-F778 PolarHBondContact N-O 3.39Å; L766-F778 PolarHBondContact O-N 2.88Å; T768-F778 HydrophobicContact CG2-CD2 4.24Å; T768-F778 HydrophobicContact CG2-CE2 4.31Å; T768-F778 VanDerWaalsContact OG1-CE2 3.32Å; T768-F778 WeakPolarHBondContact OG1-CE2 3.38Å; K776-F778 HydrophobicContact CB-CD2 4.19Å; K776-F778 HydrophobicContact CB-CE2 3.47Å; K776-F778 VanDerWaalsContact CB-CE2 3.47Å; K776-F778 HydrophobicContact CB-CZ 3.98Å; K776-F778 HydrophobicContact CD-CE2 4.25Å; K776-F778 HydrophobicContact CD-CZ 3.99Å; F778-N784 WeakPolarHBondContact CA-O 3.39Å; F778-E785 HydrophobicContact CD1-CB 4.08Å; F778-E785 HydrophobicContact CE1-CB 3.74Å; F778-E785 HydrophobicContact CE1-CG 4.2Å
779Q91.5Very high89.5Confident75 Ų7535.7 Ų35.735%0.3519%0.193SC..EExtended strand (participates in β ladder)trans-83.9122.5171.9-170-179.916.100110Y765 S781 A782 A783 N784Y765-Q779 HydrophobicContact CD1-CB 4.43Å; Y765-Q779 HydrophobicContact CE1-CB 4.46Å; Y765-Q779 HydrophobicContact CE1-CG 4.38Å; Q779-S781 PolarHBondContact O-N 2.84Å; Q779-A782 PolarHBondContact O-N 2.84Å; Q779-A783 VanDerWaalsContact O-CA 3.27Å; Q779-A783 WeakPolarHBondContact O-CA 3.01Å; Q779-A783 PolarHBondContact O-N 2.9Å; Q779-N784 PolarHBondContact N-O 2.89Å
780V88.9Confident89.3Confident10 Ų1039 Ų396%0.06121%0.211CC..THydrogen-bonded Turntrans-67.1-35.7-170.51780000112.8L721 I735 F759 D763 A764 L766L721-V780 HydrophobicContact CD1-CG1 3.76Å; I735-V780 HydrophobicContact CD1-CG1 4.42Å; F759-V780 HydrophobicContact CD1-CG2 3.94Å; F759-V780 HydrophobicContact CE1-CG1 4.19Å; F759-V780 HydrophobicContact CE1-CG2 3.69Å; D763-V780 WeakPolarHBondContact O-CG2 3.41Å; A764-V780 PolarHBondContact O-N 2.89Å; L766-V780 HydrophobicContact CB-CG2 4.16Å
781S86.1Confident89Confident82 Ų8239 Ų3957%0.57321%0.211SC*.THydrogen-bonded Turntrans-69.3-36.7-179.755.20000113.3Q779Q779-S781 PolarHBondContact O-N 2.84Å
782A83.2Confident88.6Confident43 Ų4342 Ų4236%0.35522%0.222SC..THydrogen-bonded Turntrans-101.8-17.4-175.200000113.5Q779 N784Q779-A782 PolarHBondContact O-N 2.84Å; A782-N784 HydrophobicContact CB-CB 4.37Å; A782-N784 PolarHBondContact O-N 2.89Å
783A83.7Confident88.1Confident18 Ų1843.7 Ų43.715%0.14924%0.237CC..  trans54.621.4-169.700000114.7N745 M747 Q779N745-A783 HydrophobicContact CB-CB 3.6Å; M747-A783 HydrophobicContact CG-CB 4.13Å; Q779-A783 VanDerWaalsContact O-CA 3.27Å; Q779-A783 WeakPolarHBondContact O-CA 3.01Å; Q779-A783 PolarHBondContact O-N 2.9Å
784N86.9Confident87.5Confident108 Ų10847.6 Ų47.658%0.57825%0.254SS*.  trans-91.4146.5176.6-72-21.5000110.6F778 Q779 A782 W786F778-N784 WeakPolarHBondContact CA-O 3.39Å; Q779-N784 PolarHBondContact N-O 2.89Å; A782-N784 HydrophobicContact CB-CB 4.37Å; A782-N784 PolarHBondContact O-N 2.89Å; N784-W786 PolarHBondContact O-N 3.17Å
785E88.7Confident86.6Confident86 Ų8648.1 Ų48.140%0.40226%0.256SS..EExtended strand (participates in β ladder)trans-62.7126.4167.7-170-174.4132.800109.1K776 F778 T788K776-E785 IonicContact NZ-OE1 3.78Å; K776-E785 PolarHBondContact NZ-OE1 2.79Å; K776-E785 IonicContact NZ-OE2 2.68Å; K776-E785 PolarHBondContact NZ-OE2 2.79Å; F778-E785 HydrophobicContact CD1-CB 4.08Å; F778-E785 HydrophobicContact CE1-CB 3.74Å; F778-E785 HydrophobicContact CE1-CG 4.2Å; E785-T788 VanDerWaalsContact CD-OG1 3.3Å; E785-T788 PolarHBondContact OE1-OG1 3.16Å
786W88.6Confident84.8Confident101 Ų10153.5 Ų53.538%0.38329%0.294SS..EExtended strand (participates in β ladder)trans-95.2-48.5174.9178.945.2000111.2Y765 L777 N784 V830Y765-W786 HydrophobicContact CD1-CD2 4.3Å; Y765-W786 AromaticContact CD1-CE3 3.78Å; Y765-W786 HydrophobicContact CD1-CE3 3.78Å; Y765-W786 HydrophobicContact CD1-CZ3 4.26Å; Y765-W786 AromaticContact CE1-CD2 3.83Å; Y765-W786 HydrophobicContact CE1-CD2 3.83Å; Y765-W786 AromaticContact CE1-CE3 3.66Å; Y765-W786 HydrophobicContact CE1-CE3 3.66Å; Y765-W786 HydrophobicContact CE1-CG 4.28Å; Y765-W786 HydrophobicContact CE1-CZ3 4.07Å; Y765-W786 HydrophobicContact CG-CE3 4.49Å; L777-W786 HydrophobicContact CB-CE3 4.05Å; L777-W786 HydrophobicContact CD1-CE3 4Å; L777-W786 HydrophobicContact CD1-CZ3 3.96Å; L777-W786 WeakPolarHBondContact O-CA 3.21Å; L777-W786 WeakPolarHBondContact O-CB 3.36Å; L777-W786 PolarHBondContact O-N 2.86Å; N784-W786 PolarHBondContact O-N 3.17Å; W786-V830 HydrophobicContact CH2-CG1 3.77Å; W786-V830 HydrophobicContact CZ3-CG1 3.51Å
787K89.1Confident83Confident42 Ų4259.2 Ų59.218%0.18332%0.321CS..EExtended strand (participates in β ladder)trans-148.7149.6-178.2-73.3-179.9169.4168.60111.9K776 L777 V830 Q831K776-K787 WeakPolarHBondContact CA-O 3.37Å; L777-K787 HydrophobicContact CB-CB 4.36Å; L777-K787 HydrophobicContact CD1-CB 4.33Å; L777-K787 PolarHBondContact N-O 3.31Å; L777-K787 PolarHBondContact O-N 2.8Å; K787-V830 PolarHBondContact NZ-O 2.86Å; K787-Q831 VanDerWaalsContact NZ-C 3.31Å; K787-Q831 PolarHBondContact NZ-O 2.83Å
788T91.5Very high80.9Confident55 Ų5564.8 Ų64.834%0.33736%0.36SS..EExtended strand (participates in β ladder)trans-120.1130.4167.7-690000109.1T774 K776 E785T774-T788 HydrophobicContact CG2-CG2 4.3Å; K776-T788 HydrophobicContact CG-CG2 4.26Å; K776-T788 WeakPolarHBondContact CG-OG1 3.25Å; K776-T788 PolarHBondContact NZ-OG1 2.96Å; E785-T788 VanDerWaalsContact CD-OG1 3.3Å; E785-T788 PolarHBondContact OE1-OG1 3.16Å
789I90.6Very high78.8Confident4 Ų470.3 Ų70.32%0.02139%0.389CS..EExtended strand (participates in β ladder)trans-109.7113.3171.7-56.1174000107.1T774 I775 V791 F794 I817 F828T774-I789 WeakPolarHBondContact CA-O 3.23Å; I775-I789 HydrophobicContact CB-CB 4.35Å; I775-I789 PolarHBondContact N-O 2.88Å; I775-I789 PolarHBondContact O-N 2.77Å; I789-V791 PolarHBondContact O-N 3.14Å; I789-F794 HydrophobicContact CG2-CE2 4.39Å; I789-I817 HydrophobicContact CD1-CG2 4.07Å; I789-F828 HydrophobicContact CD1-CB 4.16Å; I789-F828 HydrophobicContact CD1-CG 4.36Å; I789-F828 HydrophobicContact CG2-CD1 3.97Å; I789-F828 HydrophobicContact CG2-CD2 4.47Å; I789-F828 HydrophobicContact CG2-CE1 3.88Å; I789-F828 HydrophobicContact CG2-CE2 4.38Å; I789-F828 HydrophobicContact CG2-CG 4.27Å; I789-F828 HydrophobicContact CG2-CZ 4.09Å
790D88.8Confident76.9Confident69 Ų6974.9 Ų74.937%0.36942%0.416SS..EExtended strand (participates in β ladder)trans-88104.5175.1177.310.1000110.1K792 S793 F794D790-K792 VanDerWaalsContact C-N 3.29Å; D790-K792 PolarHBondContact O-N 3.04Å; D790-K792 VanDerWaalsContact OD1-CB 3.27Å; D790-K792 WeakPolarHBondContact OD1-CB 3.43Å; D790-K792 PolarHBondContact OD1-N 2.95Å; D790-S793 PolarHBondContact O-N 2.89Å; D790-S793 PolarHBondContact O-OG 2.88Å; D790-F794 WeakPolarHBondContact O-CD2 3.4Å; D790-F794 WeakPolarHBondContact O-CE2 3.23Å
791V85.9Confident75.4Confident0 Ų080.6 Ų80.60%044%0.442CS..SBendtrans-70.6-28.5-177.2-177.10000111.3G773 I775 I789 S793 F794 L795 V803 V805 A821 L826 F828G773-V791 VanDerWaalsContact O-CB 3.31Å; G773-V791 WeakPolarHBondContact O-CB 3.26Å; G773-V791 PolarHBondContact O-N 2.71Å; I775-V791 HydrophobicContact CD1-CG2 3.91Å; I775-V791 HydrophobicContact CG1-CG2 4.23Å; I789-V791 PolarHBondContact O-N 3.14Å; V791-S793 PolarHBondContact O-N 3.25Å; V791-F794 PolarHBondContact O-N 2.91Å; V791-L795 HydrophobicContact CG1-CD1 4.09Å; V791-V803 HydrophobicContact CG1-CG1 4.21Å; V791-V805 HydrophobicContact CB-CG2 4.12Å; V791-V805 HydrophobicContact CG2-CG2 3.86Å; V791-A821 HydrophobicContact CG1-CB 4.2Å; V791-L826 HydrophobicContact CG1-CD1 3.39Å; V791-F828 HydrophobicContact CG2-CE2 4.43Å; V791-F828 HydrophobicContact CG2-CZ 4.4Å
792K79.8Confident74.6Confident106 Ų10682.5 Ų82.546%0.46145%0.446SS..THydrogen-bonded Turntrans-61.1-36.2-179.8-170.4172.7-178.1167.10111.4D790 F794 L795 V803D790-K792 VanDerWaalsContact C-N 3.29Å; D790-K792 PolarHBondContact O-N 3.04Å; D790-K792 VanDerWaalsContact OD1-CB 3.27Å; D790-K792 WeakPolarHBondContact OD1-CB 3.43Å; D790-K792 PolarHBondContact OD1-N 2.95Å; K792-F794 VanDerWaalsContact C-N 3.25Å; K792-F794 PolarHBondContact O-N 2.81Å; K792-L795 PolarHBondContact O-N 2.82Å; K792-V803 HydrophobicContact CB-CG2 4.41Å; K792-V803 HydrophobicContact CG-CG2 4.2Å
793S76.7Confident74.5Confident78 Ų7880.7 Ų80.755%0.54543%0.431SS..THydrogen-bonded Turntrans-64-25.5-179.9730000114.4D790 V791D790-S793 PolarHBondContact O-N 2.89Å; D790-S793 PolarHBondContact O-OG 2.88Å; V791-S793 PolarHBondContact O-N 3.25Å
794F75.8Confident74.6Confident82 Ų8283.5 Ų83.536%0.3644%0.443SS..THydrogen-bonded Turntrans-94.6-19.7-175.6-62.9-82.5000114I789 D790 V791 K792 S796 F828 M835I789-F794 HydrophobicContact CG2-CE2 4.39Å; D790-F794 WeakPolarHBondContact O-CD2 3.4Å; D790-F794 WeakPolarHBondContact O-CE2 3.23Å; V791-F794 PolarHBondContact O-N 2.91Å; K792-F794 VanDerWaalsContact C-N 3.25Å; K792-F794 PolarHBondContact O-N 2.81Å; F794-S796 PolarHBondContact O-N 3.14Å; F794-F828 AromaticContact CD2-CE1 3.99Å; F794-F828 HydrophobicContact CD2-CE1 3.99Å; F794-F828 HydrophobicContact CD2-CZ 4.39Å; F794-F828 HydrophobicContact CE2-CE1 4.03Å; F794-F828 HydrophobicContact CG-CE1 4.45Å; F794-F828 HydrophobicContact CZ-CE1 4.49Å; F794-M835 HydrophobicContact CB-CE 3.35Å; F794-M835 HydrophobicContact CD1-CB 4.44Å; F794-M835 HydrophobicContact CD1-CE 4.33Å; F794-M835 HydrophobicContact CG-CE 3.85Å
795L71.8Confident74.8Confident29 Ų2978.4 Ų78.415%0.15242%0.415CS..  trans-90.184.7-179.9-67.9171.2000110.1V791 K792 E797 V803 L826V791-L795 HydrophobicContact CG1-CD1 4.09Å; K792-L795 PolarHBondContact O-N 2.82Å; L795-E797 PolarHBondContact O-N 2.53Å; L795-E797 VanDerWaalsContact O-N 3.16Å; L795-V803 HydrophobicContact CD1-CG1 3.72Å; L795-V803 HydrophobicContact CD1-CG2 4.09Å; L795-L826 HydrophobicContact CD1-CD1 4.5Å; L795-L826 HydrophobicContact CD2-CD1 4.36Å; L795-L826 HydrophobicContact CG-CD1 4.47Å
796S56.2Low74.8Confident114 Ų11476.8 Ų76.880%0.79741%0.407SS*.  trans-84.971.3-177.550.70000113.1F794F794-S796 PolarHBondContact O-N 3.14Å
797E54.5Low75Confident138 Ų13872 Ų7265%0.64539%0.389SS*.  trans-134.7142.5162.3-75-173-173.200111.4L795 D799L795-E797 PolarHBondContact O-N 2.53Å; L795-E797 VanDerWaalsContact O-N 3.16Å; E797-D799 PolarHBondContact O-N 2.81Å
798S49.3Very low75.2Confident117 Ų11770 Ų7082%0.81838%0.38SS*.SBendtrans-78.455.4-158.4560000115.6
799D48Very low75.3Confident119 Ų11967.6 Ų67.664%0.63637%0.366SS*.  trans-136.1132.9167.5-74.1-47.5000109.3E797 E801E797-D799 PolarHBondContact O-N 2.81Å; D799-E801 HydrophobicContact CB-CG 4.27Å; D799-E801 PolarHBondContact O-N 2.67Å
800D50.1Low75.5Confident172 Ų17268.1 Ų68.192%0.9237%0.367SS*.  trans-61.223.3177.5-90.2-33.6000113.9
801E59.4Low75.6Confident130 Ų13065.4 Ų65.461%0.60735%0.353SS*.  trans-78.9127.3-178-68.7-169.4166.900112.1D799 V803 R822D799-E801 HydrophobicContact CB-CG 4.27Å; D799-E801 PolarHBondContact O-N 2.67Å; E801-V803 PolarHBondContact O-N 3.29Å; E801-R822 PolarHBondContact O-NH2 2.79Å
802D68.8Low75.6Confident121 Ų12168 Ų6865%0.64738%0.375SS*.  trans-57.7125.7176.8-67-42.1000111.8L804D802-L804 HydrophobicContact CB-CD2 4.49Å; D802-L804 PolarHBondContact O-N 3.42Å
803V79.9Confident75.9Confident6 Ų666.8 Ų66.84%0.03637%0.373CS..  trans-86.1104.4177.61780000108.2G773 V791 K792 L795 E801 A821G773-V803 WeakPolarHBondContact CA-O 3.26Å; G773-V803 PolarHBondContact N-O 3.25Å; V791-V803 HydrophobicContact CG1-CG1 4.21Å; K792-V803 HydrophobicContact CB-CG2 4.41Å; K792-V803 HydrophobicContact CG-CG2 4.2Å; L795-V803 HydrophobicContact CD1-CG1 3.72Å; L795-V803 HydrophobicContact CD1-CG2 4.09Å; E801-V803 PolarHBondContact O-N 3.29Å; V803-A821 HydrophobicContact CG1-CB 4.14Å
804L86.9Confident76.4Confident77 Ų7764.3 Ų64.340%0.40336%0.36SS..  trans-90.4125.5177-51.6177.2000110.6N771 D802N771-L804 HydrophobicContact CB-CD2 3.79Å; N771-L804 WeakPolarHBondContact O-CD2 3.38Å; D802-L804 HydrophobicContact CB-CD2 4.49Å; D802-L804 PolarHBondContact O-N 3.42Å
805V90.2Very high77Confident0 Ų066.2 Ų66.20%037%0.368CS..EExtended strand (participates in β ladder)trans-95.1114.2172.8-1730000109.1N755 S770 I775 V791 C819N755-V805 PolarHBondContact ND2-O 3.35Å; S770-V805 PolarHBondContact O-N 2.91Å; I775-V805 HydrophobicContact CD1-CG1 4.45Å; I775-V805 HydrophobicContact CG1-CG1 4.04Å; V791-V805 HydrophobicContact CB-CG2 4.12Å; V791-V805 HydrophobicContact CG2-CG2 3.86Å; V805-C819 HydrophobicContact CG1-CB 3.97Å
806K89.3Confident78Confident53 Ų5368.6 Ų68.623%0.2338%0.375CS..EExtended strand (participates in β ladder)trans-86.8-44.6-173.9-65-168.4-1711660113.6N755 H756 A820 T846 V847N755-K806 WeakPolarHBondContact CB-O 3.2Å; H756-K806 WeakPolarHBondContact CB-O 3.46Å; K806-A820 PolarHBondContact N-O 2.99Å; K806-T846 PolarHBondContact NZ-OG1 3.39Å; K806-V847 WeakPolarHBondContact CD-O 3.38Å; K806-V847 PolarHBondContact NZ-O 3.15Å
807C92.5Very high79.7Confident0 Ų063.2 Ų63.20%034%0.337CS..EExtended strand (participates in β ladder)trans-141.4155.9-178.359.80000111.6C819 A820 Y849 C850C807-C819 VanDerWaalsContact O-CA 3.27Å; C807-C819 WeakPolarHBondContact O-CA 3.46Å; C807-C819 WeakPolarHBondContact O-CB 3.46Å; C807-A820 PolarHBondContact O-N 2.85Å; C807-A820 VanDerWaalsContact O-N 3.08Å; C807-A820 WeakPolarHBondContact SG-CB 3.5Å; C807-Y849 HydrophobicContact CB-CD2 4.11Å; C807-Y849 HydrophobicContact CB-CE2 4.28Å; C807-Y849 VanDerWaalsContact SG-C 3.59Å; C807-C850 WeakPolarHBondContact CB-SG 3.33Å; C807-C850 WeakPolarHBondContact SG-CB 3.12Å; C807-C850 PolarHBondContact SG-N 3.49Å; C807-C850 CovalentContact SG-SG 2.08Å; C807-C850 PolarHBondContact SG-SG 3.16Å
808S93.9Very high81.6Confident0 Ų056.6 Ų56.60%031%0.306CS..EExtended strand (participates in β ladder)trans-133.2142.5166.657.20000110.5H756 S767 S769 I818H756-S808 PolarHBondContact CE1-O 2.59Å; H756-S808 PolarHBondContact ND1-O 2.95Å; H756-S808 VanDerWaalsContact ND1-O 3.14Å; S767-S808 PolarHBondContact OG-OG 3.38Å; S767-S808 VanDerWaalsContact OG-OG 3.1Å; S769-S808 WeakPolarHBondContact OG-CB 3.47Å; S769-S808 PolarHBondContact OG-N 3.02Å; S769-S808 PolarHBondContact OG-OG 2.83Å; S808-I818 CarbonylContact C-O 3.45Å; S808-I818 VanDerWaalsContact CA-O 3.25Å; S808-I818 WeakPolarHBondContact CA-O 3.47Å
809T94.1Very high83.7Confident5 Ų551 Ų513%0.03127%0.267CS..EExtended strand (participates in β ladder)trans-140.7147.5177.5-172.50000110.4I818 A852T809-I818 HydrophobicContact CG2-CB 3.89Å; T809-I818 PolarHBondContact N-O 2.84Å; T809-I818 PolarHBondContact O-N 2.87Å; T809-A852 HydrophobicContact CG2-CB 4.04Å; T809-A852 PolarHBondContact OG1-N 3.17Å
810W93.8Very high85.8Confident15 Ų1545.4 Ų45.46%0.05724%0.237CC..EExtended strand (participates in β ladder)trans-93145.3179-64.487.7000110.9C758 F759 P761 S767 L777 I817 V830 A852C758-W810 PolarHBondContact O-NE1 2.96Å; F759-W810 VanDerWaalsContact O-CD1 3.31Å; P761-W810 HydrophobicContact CG-CB 4.3Å; S767-W810 PolarHBondContact OG-NE1 3.14Å; L777-W810 HydrophobicContact CD1-CH2 4.23Å; L777-W810 HydrophobicContact CD2-CH2 3.9Å; L777-W810 HydrophobicContact CD2-CZ2 3.72Å; W810-I817 HydrophobicContact CZ2-CD1 4.38Å; W810-V830 HydrophobicContact CE3-CG2 4.07Å; W810-V830 HydrophobicContact CH2-CG1 4.19Å; W810-V830 HydrophobicContact CH2-CG2 4.26Å; W810-V830 HydrophobicContact CZ3-CB 4.31Å; W810-V830 HydrophobicContact CZ3-CG1 3.9Å; W810-V830 HydrophobicContact CZ3-CG2 3.49Å; W810-V830 VanDerWaalsContact CZ3-CG2 3.49Å; W810-A852 WeakPolarHBondContact O-CB 3.16Å
811T91.7Very high87.6Confident12 Ų1237.2 Ų37.27%0.07419%0.193CC..  trans-71.1155.5165.149.70000110.7D813 G814 R816 I818 L873T811-D813 WeakPolarHBondContact CB-OD1 3.25Å; T811-D813 PolarHBondContact O-N 3.24Å; T811-D813 VanDerWaalsContact O-N 3.09Å; T811-D813 PolarHBondContact OG1-OD1 3.35Å; T811-G814 PolarHBondContact O-N 2.85Å; T811-R816 HydrophobicContact CG2-CB 3.82Å; T811-R816 PolarHBondContact N-O 2.86Å; T811-R816 VanDerWaalsContact N-O 3.07Å; T811-R816 WeakPolarHBondContact OG1-CB 3.38Å; T811-R816 PolarHBondContact OG1-N 3.22Å; T811-R816 VanDerWaalsContact OG1-N 3.13Å; T811-R816 PolarHBondContact OG1-O 3.37Å; T811-R816 VanDerWaalsContact OG1-O 3.11Å; T811-I818 HydrophobicContact CG2-CD1 4.01Å; T811-I818 HydrophobicContact CG2-CG1 4.41Å; T811-L873 HydrophobicContact CG2-CD1 4.22Å
812A86.1Confident88.8Confident54 Ų5434.3 Ų34.345%0.44618%0.177SC..THydrogen-bonded Turntrans-56.2-28.4-178.300000114G814 P854A812-G814 VanDerWaalsContact C-N 3.31Å; A812-P854 WeakPolarHBondContact CB-O 3.47Å
813D85.4Confident89.5Confident81 Ų8130.8 Ų30.843%0.43316%0.158SC..THydrogen-bonded Turntrans-80.1-7.8176.969.4-9.1000114.1T811 K815T811-D813 WeakPolarHBondContact CB-OD1 3.25Å; T811-D813 PolarHBondContact O-N 3.24Å; T811-D813 VanDerWaalsContact O-N 3.09Å; T811-D813 PolarHBondContact OG1-OD1 3.35Å; D813-K815 HydrophobicContact CB-CG 4.37Å; D813-K815 PolarHBondContact O-N 2.81Å; D813-K815 PolarHBondContact OD1-N 3.4Å
814G86Confident89.7Confident25 Ų2530.6 Ų30.626%0.25816%0.157SC..SBendtrans67.67.8-176.700000114.7T811 A812T811-G814 PolarHBondContact O-N 2.85Å; A812-G814 VanDerWaalsContact C-N 3.31Å
815K88.9Confident89.9Confident122 Ų12226.9 Ų26.953%0.5314%0.138SC..SBendtrans-93.2-24.4-174.9-63.7-178-177.41730113.5D813 V830D813-K815 HydrophobicContact CB-CG 4.37Å; D813-K815 PolarHBondContact O-N 2.81Å; D813-K815 PolarHBondContact OD1-N 3.4Å; K815-V830 VanDerWaalsContact O-CB 3.3Å; K815-V830 WeakPolarHBondContact O-CB 3.34Å; K815-V830 VanDerWaalsContact O-CG2 3.26Å; K815-V830 WeakPolarHBondContact O-CG2 3.4Å; K815-V830 PolarHBondContact O-N 2.97Å
816R92.3Very high89.9Confident80 Ų8026.9 Ų26.930%0.30214%0.138SC..EExtended strand (participates in β ladder)trans-120.5147.1-178.8-48.4178.3-160.1169.88.3110.1T811 V827 F828 L836T811-R816 HydrophobicContact CG2-CB 3.82Å; T811-R816 PolarHBondContact N-O 2.86Å; T811-R816 VanDerWaalsContact N-O 3.07Å; T811-R816 WeakPolarHBondContact OG1-CB 3.38Å; T811-R816 PolarHBondContact OG1-N 3.22Å; T811-R816 VanDerWaalsContact OG1-N 3.13Å; T811-R816 PolarHBondContact OG1-O 3.37Å; T811-R816 VanDerWaalsContact OG1-O 3.11Å; R816-V827 HydrophobicContact CB-CG1 4.13Å; R816-F828 CarbonylContact C-O 3.59Å; R816-F828 VanDerWaalsContact CA-O 3.23Å; R816-F828 WeakPolarHBondContact CA-O 3.44Å; R816-F828 WeakPolarHBondContact CB-O 3.41Å; R816-L836 HydrophobicContact CG-CD1 4.12Å
817I93.8Very high90Very high0 Ų024.5 Ų24.50%013%0.127CC..EExtended strand (participates in β ladder)trans-119.5135.2171.7-168.9165000108.9I775 L777 I789 W810 F828 V830I775-I817 HydrophobicContact CG2-CD1 3.85Å; L777-I817 HydrophobicContact CD2-CD1 3.68Å; I789-I817 HydrophobicContact CD1-CG2 4.07Å; W810-I817 HydrophobicContact CZ2-CD1 4.38Å; I817-F828 HydrophobicContact CG2-CB 3.79Å; I817-F828 PolarHBondContact N-O 3.39Å; I817-F828 PolarHBondContact O-N 2.74Å; I817-V830 HydrophobicContact CB-CG2 4.09Å; I817-V830 HydrophobicContact CG2-CG2 4.2Å
818I93.8Very high90Very high0 Ų024.5 Ų24.50%013%0.127CC..EExtended strand (participates in β ladder)trans-115133-178-52.2175.6000107.3S808 T809 T811 L826 V827 A852 L859 L873S808-I818 CarbonylContact C-O 3.45Å; S808-I818 VanDerWaalsContact CA-O 3.25Å; S808-I818 WeakPolarHBondContact CA-O 3.47Å; T809-I818 HydrophobicContact CG2-CB 3.89Å; T809-I818 PolarHBondContact N-O 2.84Å; T809-I818 PolarHBondContact O-N 2.87Å; T811-I818 HydrophobicContact CG2-CD1 4.01Å; T811-I818 HydrophobicContact CG2-CG1 4.41Å; I818-L826 CarbonylContact C-O 3.48Å; I818-L826 VanDerWaalsContact CA-O 3.31Å; I818-L826 WeakPolarHBondContact CA-O 3.49Å; I818-V827 HydrophobicContact CG1-CG1 4.21Å; I818-V827 HydrophobicContact CG1-CG2 4.13Å; I818-V827 HydrophobicContact CG2-CG2 4.35Å; I818-A852 HydrophobicContact CD1-CB 4.28Å; I818-L859 HydrophobicContact CD1-CD1 4.01Å; I818-L859 HydrophobicContact CD1-CD2 4.35Å; I818-L859 HydrophobicContact CG2-CD1 4.17Å; I818-L859 HydrophobicContact CG2-CD2 4.02Å; I818-L873 HydrophobicContact CD1-CD1 3.58Å; I818-L873 HydrophobicContact CD1-CD2 4.15Å
819C93.1Very high89.9Confident0 Ų026 Ų260%014%0.136CC..EExtended strand (participates in β ladder)trans-125.915417476.30000112.5I775 V805 C807 A825 L826I775-C819 HydrophobicContact CD1-CB 3.36Å; I775-C819 HydrophobicContact CG1-CB 4.33Å; V805-C819 HydrophobicContact CG1-CB 3.97Å; C807-C819 VanDerWaalsContact O-CA 3.27Å; C807-C819 WeakPolarHBondContact O-CA 3.46Å; C807-C819 WeakPolarHBondContact O-CB 3.46Å; C819-A825 CarbonylContact O-C 3.55Å; C819-A825 VanDerWaalsContact O-CA 3.28Å; C819-A825 WeakPolarHBondContact O-CA 3.27Å; C819-L826 PolarHBondContact N-O 3.27Å; C819-L826 PolarHBondContact O-N 3.14Å
820A91.6Very high89.7Confident0 Ų026.2 Ų26.20%014%0.136CC..EExtended strand (participates in β ladder)trans-103.3123.5170.200000110.4K806 C807 V847 C850K806-A820 PolarHBondContact N-O 2.99Å; C807-A820 PolarHBondContact O-N 2.85Å; C807-A820 VanDerWaalsContact O-N 3.08Å; C807-A820 WeakPolarHBondContact SG-CB 3.5Å; A820-V847 HydrophobicContact CB-CB 3.95Å; A820-V847 HydrophobicContact CB-CG1 3.48Å; A820-V847 VanDerWaalsContact CB-CG1 3.48Å; A820-C850 HydrophobicContact CB-CB 4.19Å
821A88.4Confident89.4Confident1 Ų132.7 Ų32.71%0.00817%0.167CC..EExtended strand (participates in β ladder)trans-141.8135.6175.900000110V791 V803 N823 A824V791-A821 HydrophobicContact CG1-CB 4.2Å; V803-A821 HydrophobicContact CG1-CB 4.14Å; A821-N823 PolarHBondContact O-N 3.41Å; A821-N823 VanDerWaalsContact O-N 3.14Å; A821-A824 PolarHBondContact N-O 3.38Å; A821-A824 PolarHBondContact O-N 2.97Å
822R84.1Confident89.2Confident69 Ų6935.9 Ų35.926%0.2619%0.187SC..THydrogen-bonded Turntrans50.6-116.5-176.8-60.9-177.7172.1173.9-1112E801 T846 V847E801-R822 PolarHBondContact O-NH2 2.79Å; R822-T846 VanDerWaalsContact O-CA 3.27Å; R822-T846 WeakPolarHBondContact O-CA 3.5Å; R822-T846 WeakPolarHBondContact O-CB 3.46Å; R822-V847 PolarHBondContact O-N 3.24Å
823N82.9Confident89.2Confident47 Ų4734.7 Ų34.725%0.25118%0.175SC..THydrogen-bonded Turntrans-110.422.1178.666.7-35000112.4A821 T841 S845A821-N823 PolarHBondContact O-N 3.41Å; A821-N823 VanDerWaalsContact O-N 3.14Å; N823-T841 PolarHBondContact O-N 3.2Å; N823-T841 VanDerWaalsContact O-N 3.08Å; N823-T841 PolarHBondContact O-OG1 3.29Å; N823-S845 VanDerWaalsContact CB-O 3.29Å; N823-S845 WeakPolarHBondContact CB-O 3.49Å
824A85.9Confident89.3Confident1 Ų135.4 Ų35.41%0.00818%0.179CC..EExtended strand (participates in β ladder)trans-134.4153.7-177.700000112.6A821 L826 I839A821-A824 PolarHBondContact N-O 3.38Å; A821-A824 PolarHBondContact O-N 2.97Å; A824-L826 HydrophobicContact CB-CD2 4.4Å; A824-I839 VanDerWaalsContact CA-O 3.27Å; A824-I839 WeakPolarHBondContact CA-O 3.25Å
825A89.6Confident89.4Confident0 Ų036.7 Ų36.70%018%0.179CC..EExtended strand (participates in β ladder)trans-109126.3164.300000109.2C819 I839 L859 L861C819-A825 CarbonylContact O-C 3.55Å; C819-A825 VanDerWaalsContact O-CA 3.28Å; C819-A825 WeakPolarHBondContact O-CA 3.27Å; A825-I839 HydrophobicContact CB-CB 4.31Å; A825-I839 PolarHBondContact N-O 3.41Å; A825-I839 PolarHBondContact O-N 3.16Å; A825-L859 HydrophobicContact CB-CD2 4.39Å; A825-L861 HydrophobicContact CB-CD1 3.9Å; A825-L861 HydrophobicContact CB-CD2 3.72Å; A825-L861 HydrophobicContact CB-CG 4.47Å
826L91.4Very high89.3Confident0 Ų034.7 Ų34.70%017%0.174CC..EExtended strand (participates in β ladder)trans-111.2131.5-175.3-54.6172.9000109.3V791 L795 I818 C819 A824 F828 M835 E838V791-L826 HydrophobicContact CG1-CD1 3.39Å; L795-L826 HydrophobicContact CD1-CD1 4.5Å; L795-L826 HydrophobicContact CD2-CD1 4.36Å; L795-L826 HydrophobicContact CG-CD1 4.47Å; I818-L826 CarbonylContact C-O 3.48Å; I818-L826 VanDerWaalsContact CA-O 3.31Å; I818-L826 WeakPolarHBondContact CA-O 3.49Å; C819-L826 PolarHBondContact N-O 3.27Å; C819-L826 PolarHBondContact O-N 3.14Å; A824-L826 HydrophobicContact CB-CD2 4.4Å; L826-F828 HydrophobicContact CB-CD2 4.37Å; L826-F828 HydrophobicContact CB-CE2 3.57Å; L826-F828 HydrophobicContact CB-CZ 3.98Å; L826-F828 HydrophobicContact CD1-CE2 4.34Å; L826-F828 HydrophobicContact CD1-CZ 4.18Å; L826-M835 HydrophobicContact CB-CE 4.32Å; L826-M835 HydrophobicContact CD1-CE 3.9Å; L826-M835 HydrophobicContact CD2-CE 3.8Å; L826-M835 HydrophobicContact CD2-SD 4.07Å; L826-M835 HydrophobicContact CG-CE 4.22Å; L826-E838 HydrophobicContact CD2-CB 3.9Å; L826-E838 HydrophobicContact CD2-CG 3.6Å
827V91.7Very high89Confident3 Ų332.3 Ų32.32%0.01817%0.167CC..EExtended strand (participates in β ladder)trans-108.7121.2179.5-173.80000108.8R816 I818 L836 L837 L873R816-V827 HydrophobicContact CB-CG1 4.13Å; I818-V827 HydrophobicContact CG1-CG1 4.21Å; I818-V827 HydrophobicContact CG1-CG2 4.13Å; I818-V827 HydrophobicContact CG2-CG2 4.35Å; V827-L836 PolarHBondContact O-N 3.05Å; V827-L837 HydrophobicContact CB-CB 4.05Å; V827-L837 HydrophobicContact CG2-CB 4.07Å; V827-L837 HydrophobicContact CG2-CD2 4.33Å; V827-L837 PolarHBondContact N-O 2.99Å; V827-L837 PolarHBondContact O-N 3.49Å; V827-L873 HydrophobicContact CG2-CD2 4.17Å
828F92.5Very high88.7Confident0 Ų036 Ų360%018%0.184CC..EExtended strand (participates in β ladder)trans-113.2146.9178.4-61.5-86.5000111.1I775 I789 V791 F794 R816 I817 L826 D834 M835I775-F828 HydrophobicContact CD1-CE2 4.48Å; I789-F828 HydrophobicContact CD1-CB 4.16Å; I789-F828 HydrophobicContact CD1-CG 4.36Å; I789-F828 HydrophobicContact CG2-CD1 3.97Å; I789-F828 HydrophobicContact CG2-CD2 4.47Å; I789-F828 HydrophobicContact CG2-CE1 3.88Å; I789-F828 HydrophobicContact CG2-CE2 4.38Å; I789-F828 HydrophobicContact CG2-CG 4.27Å; I789-F828 HydrophobicContact CG2-CZ 4.09Å; V791-F828 HydrophobicContact CG2-CE2 4.43Å; V791-F828 HydrophobicContact CG2-CZ 4.4Å; F794-F828 AromaticContact CD2-CE1 3.99Å; F794-F828 HydrophobicContact CD2-CE1 3.99Å; F794-F828 HydrophobicContact CD2-CZ 4.39Å; F794-F828 HydrophobicContact CE2-CE1 4.03Å; F794-F828 HydrophobicContact CG-CE1 4.45Å; F794-F828 HydrophobicContact CZ-CE1 4.49Å; R816-F828 CarbonylContact C-O 3.59Å; R816-F828 VanDerWaalsContact CA-O 3.23Å; R816-F828 WeakPolarHBondContact CA-O 3.44Å; R816-F828 WeakPolarHBondContact CB-O 3.41Å; I817-F828 HydrophobicContact CG2-CB 3.79Å; I817-F828 PolarHBondContact N-O 3.39Å; I817-F828 PolarHBondContact O-N 2.74Å; L826-F828 HydrophobicContact CB-CD2 4.37Å; L826-F828 HydrophobicContact CB-CE2 3.57Å; L826-F828 HydrophobicContact CB-CZ 3.98Å; L826-F828 HydrophobicContact CD1-CE2 4.34Å; L826-F828 HydrophobicContact CD1-CZ 4.18Å; F828-D834 WeakPolarHBondContact CA-O 3.32Å; F828-M835 HydrophobicContact CD1-CB 4.02Å; F828-M835 HydrophobicContact CE1-CB 3.8Å; F828-M835 HydrophobicContact CE1-CE 3.86Å; F828-M835 HydrophobicContact CE1-CG 4.22Å; F828-M835 HydrophobicContact CZ-CE 3.74Å
829D91.3Very high88.2Confident32 Ų3236.3 Ų36.317%0.17119%0.186CC..EExtended strand (participates in β ladder)trans-82.8130168-178.8-86.1000110.1Q831 T832 S833 D834 L836D829-Q831 VanDerWaalsContact C-N 3.33Å; D829-Q831 PolarHBondContact O-N 3.47Å; D829-Q831 WeakPolarHBondContact OD1-CA 3.34Å; D829-Q831 WeakPolarHBondContact OD1-CB 3.49Å; D829-Q831 PolarHBondContact OD1-N 2.85Å; D829-T832 VanDerWaalsContact CB-OG1 3.24Å; D829-T832 WeakPolarHBondContact CB-OG1 3.44Å; D829-T832 VanDerWaalsContact CG-OG1 3.32Å; D829-T832 PolarHBondContact OD1-N 2.88Å; D829-T832 PolarHBondContact OD1-OG1 2.86Å; D829-S833 WeakPolarHBondContact O-CA 3.45Å; D829-S833 PolarHBondContact O-N 2.83Å; D829-D834 PolarHBondContact N-O 3.37Å; D829-L836 HydrophobicContact CB-CD1 3.92Å; D829-L836 HydrophobicContact CB-CD2 4.14Å; D829-L836 HydrophobicContact CB-CG 4.01Å
830V89.8Confident87.5Confident8 Ų842.1 Ų42.15%0.04821%0.211CC..THydrogen-bonded Turntrans-72-29.6-173.7174.10000111.5L777 W786 K787 W810 K815 I817L777-V830 HydrophobicContact CD1-CG1 3.99Å; W786-V830 HydrophobicContact CH2-CG1 3.77Å; W786-V830 HydrophobicContact CZ3-CG1 3.51Å; K787-V830 PolarHBondContact NZ-O 2.86Å; W810-V830 HydrophobicContact CE3-CG2 4.07Å; W810-V830 HydrophobicContact CH2-CG1 4.19Å; W810-V830 HydrophobicContact CH2-CG2 4.26Å; W810-V830 HydrophobicContact CZ3-CB 4.31Å; W810-V830 HydrophobicContact CZ3-CG1 3.9Å; W810-V830 HydrophobicContact CZ3-CG2 3.49Å; W810-V830 VanDerWaalsContact CZ3-CG2 3.49Å; K815-V830 VanDerWaalsContact O-CB 3.3Å; K815-V830 WeakPolarHBondContact O-CB 3.34Å; K815-V830 VanDerWaalsContact O-CG2 3.26Å; K815-V830 WeakPolarHBondContact O-CG2 3.4Å; K815-V830 PolarHBondContact O-N 2.97Å; I817-V830 HydrophobicContact CB-CG2 4.09Å; I817-V830 HydrophobicContact CG2-CG2 4.2Å
831Q87.9Confident86.5Confident151 Ų15142.7 Ų42.771%0.70622%0.215SC*.THydrogen-bonded Turntrans-79.7-43.5-177.7-66.1-171.5-6.100112K787 D829K787-Q831 VanDerWaalsContact NZ-C 3.31Å; K787-Q831 PolarHBondContact NZ-O 2.83Å; D829-Q831 VanDerWaalsContact C-N 3.33Å; D829-Q831 PolarHBondContact O-N 3.47Å; D829-Q831 WeakPolarHBondContact OD1-CA 3.34Å; D829-Q831 WeakPolarHBondContact OD1-CB 3.49Å; D829-Q831 PolarHBondContact OD1-N 2.85Å
832T87.1Confident85.2Confident79 Ų7947.6 Ų47.649%0.48524%0.241SC..THydrogen-bonded Turntrans-93.2-24.5-176.355.60000113.1D829 D834D829-T832 VanDerWaalsContact CB-OG1 3.24Å; D829-T832 WeakPolarHBondContact CB-OG1 3.44Å; D829-T832 VanDerWaalsContact CG-OG1 3.32Å; D829-T832 PolarHBondContact OD1-N 2.88Å; D829-T832 PolarHBondContact OD1-OG1 2.86Å; T832-D834 PolarHBondContact O-N 3.27Å; T832-D834 PolarHBondContact OG1-N 2.99Å
833S86.8Confident83.9Confident29 Ų2954.8 Ų54.820%0.20327%0.268CS..  trans64.914.3-170.1-43.20000114D829D829-S833 WeakPolarHBondContact O-CA 3.45Å; D829-S833 PolarHBondContact O-N 2.83Å
834D86.6Confident82.9Confident96 Ų9660.5 Ų60.551%0.51330%0.297SS..  trans-81.1145.9176.4-68.7-29.2000111.1F828 D829 T832 L836F828-D834 WeakPolarHBondContact CA-O 3.32Å; D829-D834 PolarHBondContact N-O 3.37Å; T832-D834 PolarHBondContact O-N 3.27Å; T832-D834 PolarHBondContact OG1-N 2.99Å; D834-L836 PolarHBondContact O-N 2.9Å
835M88.2Confident82.4Confident53 Ų5360.7 Ų60.726%0.26130%0.299SS..EExtended strand (participates in β ladder)trans-75.9118.4172.1-174.5-176.1-69.300110.2F794 L826 F828 E838F794-M835 HydrophobicContact CB-CE 3.35Å; F794-M835 HydrophobicContact CD1-CB 4.44Å; F794-M835 HydrophobicContact CD1-CE 4.33Å; F794-M835 HydrophobicContact CG-CE 3.85Å; L826-M835 HydrophobicContact CB-CE 4.32Å; L826-M835 HydrophobicContact CD1-CE 3.9Å; L826-M835 HydrophobicContact CD2-CE 3.8Å; L826-M835 HydrophobicContact CD2-SD 4.07Å; L826-M835 HydrophobicContact CG-CE 4.22Å; F828-M835 HydrophobicContact CD1-CB 4.02Å; F828-M835 HydrophobicContact CE1-CB 3.8Å; F828-M835 HydrophobicContact CE1-CE 3.86Å; F828-M835 HydrophobicContact CE1-CG 4.22Å; F828-M835 HydrophobicContact CZ-CE 3.74Å; M835-E838 HydrophobicContact SD-CB 4.24Å
836L87.1Confident82Confident80 Ų8063.3 Ų63.342%0.41932%0.315SS..EExtended strand (participates in β ladder)trans-89.3-37-179.9-62.5179.9000113R816 V827 D829 D834R816-L836 HydrophobicContact CG-CD1 4.12Å; V827-L836 PolarHBondContact O-N 3.05Å; D829-L836 HydrophobicContact CB-CD1 3.92Å; D829-L836 HydrophobicContact CB-CD2 4.14Å; D829-L836 HydrophobicContact CB-CG 4.01Å; D834-L836 PolarHBondContact O-N 2.9Å
837L85.6Confident81.9Confident30 Ų3063.4 Ų63.416%0.15732%0.315CS..EExtended strand (participates in β ladder)trans-152.7135.8-173.8-177.866.5000110.8V827 I839 K876V827-L837 HydrophobicContact CB-CB 4.05Å; V827-L837 HydrophobicContact CG2-CB 4.07Å; V827-L837 HydrophobicContact CG2-CD2 4.33Å; V827-L837 PolarHBondContact N-O 2.99Å; V827-L837 PolarHBondContact O-N 3.49Å; L837-I839 HydrophobicContact CD2-CD1 4.04Å; L837-I839 HydrophobicContact CD2-CG1 3.81Å; L837-I839 HydrophobicContact CG-CG1 4.01Å; L837-K876 HydrophobicContact CD1-CB 4.4Å; L837-K876 HydrophobicContact CD1-CD 3.73Å; L837-K876 HydrophobicContact CD1-CG 4.03Å; L837-K876 HydrophobicContact CD2-CG 4.05Å
838E87.1Confident81.8Confident76 Ų7664.8 Ų64.836%0.35532%0.322SS..EExtended strand (participates in β ladder)trans-111.8117.6167.1176.8178.7-15700109.1L826 M835 K840L826-E838 HydrophobicContact CD2-CB 3.9Å; L826-E838 HydrophobicContact CD2-CG 3.6Å; M835-E838 HydrophobicContact SD-CB 4.24Å; E838-K840 HydrophobicContact CG-CG 3.82Å; E838-K840 WeakPolarHBondContact OE1-CE 3.41Å; E838-K840 IonicContact OE1-NZ 2.83Å; E838-K840 WeakPolarHBondContact OE2-CE 3.43Å; E838-K840 IonicContact OE2-NZ 3.59Å
839I84.1Confident81.8Confident7 Ų765.8 Ų65.84%0.03633%0.326CS..EExtended strand (participates in β ladder)trans-96.891.7173.5-55.8176000107.3A824 A825 L837 T841 L859 L861 W871 L873A824-I839 VanDerWaalsContact CA-O 3.27Å; A824-I839 WeakPolarHBondContact CA-O 3.25Å; A825-I839 HydrophobicContact CB-CB 4.31Å; A825-I839 PolarHBondContact N-O 3.41Å; A825-I839 PolarHBondContact O-N 3.16Å; L837-I839 HydrophobicContact CD2-CD1 4.04Å; L837-I839 HydrophobicContact CD2-CG1 3.81Å; L837-I839 HydrophobicContact CG-CG1 4.01Å; I839-T841 HydrophobicContact CG2-CG2 4.26Å; I839-T841 PolarHBondContact O-N 2.85Å; I839-L859 HydrophobicContact CD1-CD2 3.98Å; I839-L861 HydrophobicContact CG2-CD1 4.48Å; I839-W871 HydrophobicContact CD1-CD2 4.46Å; I839-W871 HydrophobicContact CD1-CE3 4.38Å; I839-W871 HydrophobicContact CG2-CD2 3.76Å; I839-W871 HydrophobicContact CG2-CE3 3.87Å; I839-W871 HydrophobicContact CG2-CG 4.48Å; I839-W871 HydrophobicContact CG2-CH2 3.74Å; I839-W871 HydrophobicContact CG2-CZ2 3.63Å; I839-W871 HydrophobicContact CG2-CZ3 3.86Å; I839-L873 HydrophobicContact CD1-CD2 4.27Å
840K78.1Confident81.9Confident122 Ų12264.2 Ų64.253%0.5332%0.317SS..EExtended strand (participates in β ladder)trans-76.7120.7172.5-68.5-166.1178.5-177.20109.9E838E838-K840 HydrophobicContact CG-CG 3.82Å; E838-K840 WeakPolarHBondContact OE1-CE 3.41Å; E838-K840 IonicContact OE1-NZ 2.83Å; E838-K840 WeakPolarHBondContact OE2-CE 3.43Å; E838-K840 IonicContact OE2-NZ 3.59Å
841T70.1Confident82.1Confident13 Ų1365.2 Ų65.28%0.0832%0.321CS..  trans-102-176178.272.60000110N823 I839 R843 L861 F863N823-T841 PolarHBondContact O-N 3.2Å; N823-T841 VanDerWaalsContact O-N 3.08Å; N823-T841 PolarHBondContact O-OG1 3.29Å; I839-T841 HydrophobicContact CG2-CG2 4.26Å; I839-T841 PolarHBondContact O-N 2.85Å; T841-R843 PolarHBondContact O-N 3.26Å; T841-L861 HydrophobicContact CG2-CD1 4.18Å; T841-F863 HydrophobicContact CG2-CE1 3.82Å; T841-F863 HydrophobicContact CG2-CZ 3.66Å; T841-F863 VanDerWaalsContact OG1-CE1 3.3Å; T841-F863 WeakPolarHBondContact OG1-CE1 3.39Å
842N61.8Low82.3Confident103 Ų10358.2 Ų58.255%0.55129%0.29SS*.  trans-56.2134.2-173.9-159.20.7000111.9L844 S845N842-L844 PolarHBondContact O-N 3Å; N842-S845 PolarHBondContact O-N 2.91Å; N842-S845 PolarHBondContact O-OG 3.35Å
843R56.3Low82.5Confident220 Ų22054.6 Ų54.683%0.8327%0.267SS*.THydrogen-bonded Turntrans-65.3-7.8-169.8-68.7-173.9179.9-173.7-3.6115.3T841T841-R843 PolarHBondContact O-N 3.26Å
844L61.7Low82.4Confident167 Ų16756.1 Ų56.187%0.87428%0.276SS*.THydrogen-bonded Turntrans-104.1-7.3-174.4-63.3170.9000113.8N842N842-L844 PolarHBondContact O-N 3Å
845S75Confident82.3Confident6 Ų654.6 Ų54.64%0.04228%0.278CS..  trans-123.4139.2-175.251.40000111.6N823 N842N823-S845 VanDerWaalsContact CB-O 3.29Å; N823-S845 WeakPolarHBondContact CB-O 3.49Å; N842-S845 PolarHBondContact O-N 2.91Å; N842-S845 PolarHBondContact O-OG 3.35Å
846T82.5Confident82.1Confident55 Ų5554.2 Ų54.234%0.33728%0.28SS..  trans-91.9142.5173.565.50000110.1K806 R822 Q848 F863 S864K806-T846 PolarHBondContact NZ-OG1 3.39Å; R822-T846 VanDerWaalsContact O-CA 3.27Å; R822-T846 WeakPolarHBondContact O-CA 3.5Å; R822-T846 WeakPolarHBondContact O-CB 3.46Å; T846-Q848 PolarHBondContact O-N 2.93Å; T846-Q848 PolarHBondContact OG1-NE2 2.98Å; T846-F863 WeakPolarHBondContact O-CA 3.45Å; T846-S864 PolarHBondContact N-OG 2.8Å; T846-S864 VanDerWaalsContact N-OG 3.11Å; T846-S864 PolarHBondContact O-N 2.94Å
847V88.5Confident82.1Confident1 Ų154 Ų541%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-73.3125170.4-174.80000106.8K806 A820 R822 L861 F863K806-V847 WeakPolarHBondContact CD-O 3.38Å; K806-V847 PolarHBondContact NZ-O 3.15Å; A820-V847 HydrophobicContact CB-CB 3.95Å; A820-V847 HydrophobicContact CB-CG1 3.48Å; A820-V847 VanDerWaalsContact CB-CG1 3.48Å; R822-V847 PolarHBondContact O-N 3.24Å; V847-L861 HydrophobicContact CG1-CD2 4.15Å; V847-F863 HydrophobicContact CG2-CD1 4.15Å; V847-F863 HydrophobicContact CG2-CE1 3.62Å; V847-F863 HydrophobicContact CG2-CZ 4.35Å
848Q89.1Confident82.3Confident32 Ų3254 Ų5415%0.1528%0.279CS..EExtended strand (participates in β ladder)trans-91-46.2178.3-67.5-64.2-4.400111.1T846 A862 V889T846-Q848 PolarHBondContact O-N 2.93Å; T846-Q848 PolarHBondContact OG1-NE2 2.98Å; Q848-A862 PolarHBondContact N-O 2.91Å; Q848-V889 WeakPolarHBondContact CB-O 3.49Å
849Y92.4Very high82.5Confident21 Ų2150.4 Ų50.48%0.08226%0.262CS..EExtended strand (participates in β ladder)trans-147.3156.7-176.3-161.7-90.2000111.6H756 C807 H851 A862 Q890 R891 V892H756-Y849 AromaticContact CD2-CE2 3.69Å; H756-Y849 AromaticContact NE2-CE2 3.64Å; H756-Y849 AromaticContact NE2-CZ 3.63Å; H756-Y849 PolarHBondContact NE2-OH 2.89Å; C807-Y849 HydrophobicContact CB-CD2 4.11Å; C807-Y849 HydrophobicContact CB-CE2 4.28Å; C807-Y849 VanDerWaalsContact SG-C 3.59Å; Y849-H851 HydrophobicContact CE1-CB 4.19Å; Y849-A862 PolarHBondContact O-N 3.14Å; Y849-Q890 WeakPolarHBondContact CB-O 3.24Å; Y849-R891 HydrophobicContact CD1-CG 3.87Å; Y849-R891 HydrophobicContact CD2-CG 3.98Å; Y849-R891 HydrophobicContact CE1-CG 3.78Å; Y849-R891 HydrophobicContact CE2-CG 3.86Å; Y849-R891 HydrophobicContact CG-CG 3.97Å; Y849-R891 PolarHBondContact OH-NE 3.09Å; Y849-R891 VanDerWaalsContact OH-NE 3.14Å; Y849-R891 PolarHBondContact OH-NH2 2.93Å; Y849-V892 HydrophobicContact CD1-CG2 3.94Å; Y849-V892 WeakPolarHBondContact CD1-O 3.39Å; Y849-V892 WeakPolarHBondContact CE1-O 3.37Å
850C93.9Very high82.9Confident0 Ų050 Ų500%026%0.261CS..EExtended strand (participates in β ladder)trans-143.1133.1-172.5570000109.5C807 A820 A860 L861C807-C850 WeakPolarHBondContact CB-SG 3.33Å; C807-C850 WeakPolarHBondContact SG-CB 3.12Å; C807-C850 PolarHBondContact SG-N 3.49Å; C807-C850 CovalentContact SG-SG 2.08Å; C807-C850 PolarHBondContact SG-SG 3.16Å; A820-C850 HydrophobicContact CB-CB 4.19Å; C850-A860 WeakPolarHBondContact CA-O 3.46Å; C850-L861 HydrophobicContact CB-CD2 3.91Å
851H94.3Very high83.5Confident28 Ų2844.2 Ų44.213%0.1324%0.235CC..EExtended strand (participates in β ladder)trans-144.3124.1176-167.8-102.5000111.2Y849 A860 V892 F894Y849-H851 HydrophobicContact CE1-CB 4.19Å; H851-A860 PolarHBondContact N-O 3.14Å; H851-A860 PolarHBondContact O-N 3.37Å; H851-V892 HydrophobicContact CB-CG2 4.49Å; H851-V892 WeakPolarHBondContact CB-O 3.49Å; H851-F894 AromaticContact ND1-CD2 3.62Å; H851-F894 PolarHBondContact ND1-N 3.45Å; H851-F894 VanDerWaalsContact ND1-N 3.16Å; H851-F894 WeakPolarHBondContact O-CE2 3.47Å
852A93.1Very high84.4Confident5 Ų543.6 Ų43.64%0.04123%0.232CC..EExtended strand (participates in β ladder)trans-80.2143.717300000110.2T809 W810 I818 P854T809-A852 HydrophobicContact CG2-CB 4.04Å; T809-A852 PolarHBondContact OG1-N 3.17Å; W810-A852 WeakPolarHBondContact O-CB 3.16Å; I818-A852 HydrophobicContact CD1-CB 4.28Å; A852-P854 WeakPolarHBondContact O-CD 3.19Å
853C90.2Very high85.6Confident2 Ų238.8 Ų38.81%0.01421%0.206CC..  trans-71.2129.6175.1-175.20000110A855 S856 L858 F894 G898C853-A855 VanDerWaalsContact C-N 3.26Å; C853-A855 PolarHBondContact O-N 3.5Å; C853-S856 WeakPolarHBondContact CB-O 3.23Å; C853-S856 WeakPolarHBondContact CB-OG 3.46Å; C853-S856 PolarHBondContact SG-OG 3.15Å; C853-L858 HydrophobicContact CB-CB 4.06Å; C853-L858 WeakPolarHBondContact CB-O 3.46Å; C853-L858 PolarHBondContact N-O 3.35Å; C853-F894 HydrophobicContact CB-CD1 4.45Å; C853-F894 HydrophobicContact CB-CD2 3.77Å; C853-F894 HydrophobicContact CB-CE2 3.94Å; C853-F894 HydrophobicContact CB-CG 4.04Å; C853-F894 HydrophobicContact CB-CZ 4.35Å; C853-G898 VanDerWaalsContact SG-CA 3.54Å
854P84.4Confident86.7Confident61 Ų6129.5 Ų29.540%0.39617%0.174SC..SBendtrans-68.9-23.4176.8-21.834000114A812 A852A812-P854 WeakPolarHBondContact CB-O 3.47Å; A852-P854 WeakPolarHBondContact O-CD 3.19Å
855A84.4Confident87.2Confident65 Ų6524 Ų2454%0.53715%0.146SC..SBendtrans-103.5-16.7-174.500000114C853 D897C853-A855 VanDerWaalsContact C-N 3.26Å; C853-A855 PolarHBondContact O-N 3.5Å; A855-D897 WeakPolarHBondContact CB-O 3.22Å
856S85Confident87.2Confident45 Ų4527.6 Ų27.632%0.31516%0.159SC..SBendtrans-145171.7-174.372.10000112.2C853 L858C853-S856 WeakPolarHBondContact CB-O 3.23Å; C853-S856 WeakPolarHBondContact CB-OG 3.46Å; C853-S856 PolarHBondContact SG-OG 3.15Å; S856-L858 PolarHBondContact O-N 2.99Å; S856-L858 VanDerWaalsContact O-N 3.14Å; S856-L858 WeakPolarHBondContact OG-CG 3.42Å
857N86.8Confident87Confident74 Ų7426 Ų2640%0.39615%0.151SC..SBendtrans-81.519.2179.3-65.1-38.7000113.9L873 E874N857-L873 WeakPolarHBondContact O-CB 3.33Å; N857-L873 WeakPolarHBondContact O-CG 3.45Å; N857-L873 PolarHBondContact O-N 3.08Å; N857-E874 HydrophobicContact CB-CG 4.23Å; N857-E874 WeakPolarHBondContact ND2-CG 3.48Å; N857-E874 PolarHBondContact ND2-OE1 2.86Å; N857-E874 PolarHBondContact ND2-OE2 3.21Å
858L89.7Confident86.8Confident31 Ų3125.9 Ų25.916%0.16215%0.151CC..EExtended strand (participates in β ladder)trans-81.5142.6179.6-65.6176.3000111.3C853 S856 W871 R879 F894C853-L858 HydrophobicContact CB-CB 4.06Å; C853-L858 WeakPolarHBondContact CB-O 3.46Å; C853-L858 PolarHBondContact N-O 3.35Å; S856-L858 PolarHBondContact O-N 2.99Å; S856-L858 VanDerWaalsContact O-N 3.14Å; S856-L858 WeakPolarHBondContact OG-CG 3.42Å; L858-W871 CarbonylContact C-O 3.57Å; L858-W871 WeakPolarHBondContact CA-O 3.29Å; L858-R879 HydrophobicContact CD2-CG 4.29Å; L858-F894 HydrophobicContact CB-CZ 4.16Å
859L91.8Very high86.6Confident0 Ų025.6 Ų25.60%015%0.149CC..EExtended strand (participates in β ladder)trans-121.6128.1172.9173.866.4000108.9I818 A825 I839 L861 L870 W871 L873I818-L859 HydrophobicContact CD1-CD1 4.01Å; I818-L859 HydrophobicContact CD1-CD2 4.35Å; I818-L859 HydrophobicContact CG2-CD1 4.17Å; I818-L859 HydrophobicContact CG2-CD2 4.02Å; A825-L859 HydrophobicContact CB-CD2 4.39Å; I839-L859 HydrophobicContact CD1-CD2 3.98Å; L859-L861 HydrophobicContact CD1-CD2 4.35Å; L859-L861 HydrophobicContact CD2-CD2 3.97Å; L859-L861 HydrophobicContact CD2-CG 4.24Å; L859-L861 HydrophobicContact CG-CD2 4.06Å; L859-L861 HydrophobicContact CG-CG 4.24Å; L859-L870 WeakPolarHBondContact O-CA 3.39Å; L859-W871 HydrophobicContact CB-CB 4.3Å; L859-W871 PolarHBondContact N-O 2.86Å; L859-W871 PolarHBondContact O-N 3.27Å; L859-L873 HydrophobicContact CB-CD1 4.32Å; L859-L873 HydrophobicContact CB-CD2 4.13Å; L859-L873 HydrophobicContact CB-CG 4.12Å; L859-L873 HydrophobicContact CD2-CD2 4Å
860A91.6Very high86.3Confident0 Ų024.8 Ų24.80%015%0.146CC..EExtended strand (participates in β ladder)trans-99131.5170.600000110.1C850 H851 E869 L870 V892 F894 L901C850-A860 WeakPolarHBondContact CA-O 3.46Å; H851-A860 PolarHBondContact N-O 3.14Å; H851-A860 PolarHBondContact O-N 3.37Å; A860-E869 WeakPolarHBondContact CA-O 3.28Å; A860-L870 HydrophobicContact CB-CD2 3.68Å; A860-V892 HydrophobicContact CB-CG2 4.04Å; A860-F894 HydrophobicContact CB-CD2 4.4Å; A860-F894 HydrophobicContact CB-CE2 3.55Å; A860-F894 HydrophobicContact CB-CZ 3.78Å; A860-L901 HydrophobicContact CB-CD1 3.82Å
861L91.2Very high85.9Confident0 Ų026.5 Ų26.50%015%0.153CC..EExtended strand (participates in β ladder)trans-119123.2175.6-63.2179.6000109.7A825 I839 T841 V847 C850 L859 F863 I868 E869A825-L861 HydrophobicContact CB-CD1 3.9Å; A825-L861 HydrophobicContact CB-CD2 3.72Å; A825-L861 HydrophobicContact CB-CG 4.47Å; I839-L861 HydrophobicContact CG2-CD1 4.48Å; T841-L861 HydrophobicContact CG2-CD1 4.18Å; V847-L861 HydrophobicContact CG1-CD2 4.15Å; C850-L861 HydrophobicContact CB-CD2 3.91Å; L859-L861 HydrophobicContact CD1-CD2 4.35Å; L859-L861 HydrophobicContact CD2-CD2 3.97Å; L859-L861 HydrophobicContact CD2-CG 4.24Å; L859-L861 HydrophobicContact CG-CD2 4.06Å; L859-L861 HydrophobicContact CG-CG 4.24Å; L861-F863 HydrophobicContact CB-CE2 3.67Å; L861-F863 HydrophobicContact CB-CZ 3.81Å; L861-F863 HydrophobicContact CD1-CZ 4.25Å; L861-F863 WeakPolarHBondContact O-CD2 3.31Å; L861-F863 WeakPolarHBondContact O-CE2 3.47Å; L861-I868 CarbonylContact O-C 3.6Å; L861-I868 VanDerWaalsContact O-CA 3.25Å; L861-I868 WeakPolarHBondContact O-CA 3.44Å; L861-E869 PolarHBondContact N-O 3.12Å; L861-E869 PolarHBondContact O-N 3.24Å
862A89.8Confident85.5Confident0 Ų026.1 Ų26.10%015%0.152CC..EExtended strand (participates in β ladder)trans-97.8136.8175.200000110.4Q848 Y849 V889 V892Q848-A862 PolarHBondContact N-O 2.91Å; Y849-A862 PolarHBondContact O-N 3.14Å; A862-V889 HydrophobicContact CB-CB 3.97Å; A862-V889 HydrophobicContact CB-CG1 3.75Å; A862-V892 HydrophobicContact CB-CG1 3.84Å; A862-V892 HydrophobicContact CB-CG2 3.97Å
863F85.1Confident85.1Confident2 Ų226.4 Ų26.41%0.00915%0.152CC..EExtended strand (participates in β ladder)trans-119.7159.9-174.6-64.9-86.7000113.7T841 T846 V847 L861 N865 A867 E869 V889T841-F863 HydrophobicContact CG2-CE1 3.82Å; T841-F863 HydrophobicContact CG2-CZ 3.66Å; T841-F863 VanDerWaalsContact OG1-CE1 3.3Å; T841-F863 WeakPolarHBondContact OG1-CE1 3.39Å; T846-F863 WeakPolarHBondContact O-CA 3.45Å; V847-F863 HydrophobicContact CG2-CD1 4.15Å; V847-F863 HydrophobicContact CG2-CE1 3.62Å; V847-F863 HydrophobicContact CG2-CZ 4.35Å; L861-F863 HydrophobicContact CB-CE2 3.67Å; L861-F863 HydrophobicContact CB-CZ 3.81Å; L861-F863 HydrophobicContact CD1-CZ 4.25Å; L861-F863 WeakPolarHBondContact O-CD2 3.31Å; L861-F863 WeakPolarHBondContact O-CE2 3.47Å; F863-N865 WeakPolarHBondContact CB-OD1 3.33Å; F863-N865 PolarHBondContact O-N 2.69Å; F863-A867 HydrophobicContact CD2-CB 4.47Å; F863-A867 WeakPolarHBondContact CD2-O 3.49Å; F863-A867 PolarHBondContact N-O 3.28Å; F863-E869 HydrophobicContact CD2-CG 4.19Å; F863-E869 HydrophobicContact CE2-CB 3.75Å; F863-E869 HydrophobicContact CE2-CG 3.39Å; F863-E869 HydrophobicContact CZ-CB 4.4Å; F863-E869 HydrophobicContact CZ-CG 4.04Å; F863-V889 PolarHBondContact O-N 2.8Å
864S79.8Confident84.7Confident24 Ų2432.6 Ų32.617%0.16818%0.181CC..THydrogen-bonded Turntrans-69.3-8.217066.40000114.1T846 W888T846-S864 PolarHBondContact N-OG 2.8Å; T846-S864 VanDerWaalsContact N-OG 3.11Å; T846-S864 PolarHBondContact O-N 2.94Å; S864-W888 PolarHBondContact O-NE1 2.85Å; S864-W888 VanDerWaalsContact O-NE1 3.11Å
865N73.6Confident84.3Confident53 Ų5334.5 Ų34.528%0.28319%0.185SC..THydrogen-bonded Turntrans-106.240.8176.669.4-18.1000111.2F863 A867F863-N865 WeakPolarHBondContact CB-OD1 3.33Å; F863-N865 PolarHBondContact O-N 2.69Å; N865-A867 PolarHBondContact O-N 2.57Å
866Y74.5Confident84.1Confident81 Ų8137.5 Ų37.532%0.31819%0.186SC..SBendtrans56.72.6175.359.7-98.2000116.5H885 S887 I1250Y866-H885 WeakPolarHBondContact CB-O 3.46Å; Y866-S887 VanDerWaalsContact CA-O 3.22Å; Y866-S887 WeakPolarHBondContact CA-O 3.45Å; Y866-S887 WeakPolarHBondContact CB-O 3.2Å; Y866-I1250 HydrophobicContact CE2-CD1 4.23Å
867A77.6Confident83.6Confident20 Ų2039.9 Ų39.917%0.16519%0.19CC..EExtended strand (participates in β ladder)trans-91.5152.9-179.100000111.2F863 N865F863-A867 HydrophobicContact CD2-CB 4.47Å; F863-A867 WeakPolarHBondContact CD2-O 3.49Å; F863-A867 PolarHBondContact N-O 3.28Å; N865-A867 PolarHBondContact O-N 2.57Å
868I84.8Confident83.1Confident0 Ų039.5 Ų39.50%019%0.185CC..EExtended strand (participates in β ladder)trans-126127.6166.9-54.4163.7000107.3L861 C882 V889 V892 L901 W913L861-I868 CarbonylContact O-C 3.6Å; L861-I868 VanDerWaalsContact O-CA 3.25Å; L861-I868 WeakPolarHBondContact O-CA 3.44Å; I868-C882 HydrophobicContact CB-CB 3.99Å; I868-C882 HydrophobicContact CD1-CB 4.43Å; I868-C882 PolarHBondContact N-O 3.35Å; I868-C882 VanDerWaalsContact N-O 3.15Å; I868-C882 PolarHBondContact O-N 3.31Å; I868-V889 HydrophobicContact CD1-CG1 4.06Å; I868-V889 HydrophobicContact CD1-CG2 4.4Å; I868-V889 HydrophobicContact CG1-CB 4.43Å; I868-V889 HydrophobicContact CG1-CG1 4.03Å; I868-V889 HydrophobicContact CG1-CG2 4.04Å; I868-V892 HydrophobicContact CD1-CG1 3.87Å; I868-V892 HydrophobicContact CG1-CG1 4.09Å; I868-V892 HydrophobicContact CG2-CG1 4.06Å; I868-L901 HydrophobicContact CG2-CD2 4.14Å; I868-W913 HydrophobicContact CD1-CZ2 4.23Å
869E85.3Confident82.3Confident26 Ų2642.9 Ų42.912%0.12120%0.196CC..EExtended strand (participates in β ladder)trans-106.7136.9176.4-62.3-173.4158.700110.6A860 L861 F863 W871 K878 D881A860-E869 WeakPolarHBondContact CA-O 3.28Å; L861-E869 PolarHBondContact N-O 3.12Å; L861-E869 PolarHBondContact O-N 3.24Å; F863-E869 HydrophobicContact CD2-CG 4.19Å; F863-E869 HydrophobicContact CE2-CB 3.75Å; F863-E869 HydrophobicContact CE2-CG 3.39Å; F863-E869 HydrophobicContact CZ-CB 4.4Å; F863-E869 HydrophobicContact CZ-CG 4.04Å; E869-W871 PolarHBondContact OE2-NE1 3.49Å; E869-K878 IonicContact OE1-NZ 3.39Å; E869-K878 PolarHBondContact OE1-NZ 3.48Å; E869-D881 WeakPolarHBondContact CG-OD1 3.34Å
870L86.4Confident81.2Confident4 Ų443.3 Ų43.32%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-103.8124.1170.6-64.1-174.1000110.1L859 A860 R879 A880 F894 L901 V918L859-L870 WeakPolarHBondContact O-CA 3.39Å; A860-L870 HydrophobicContact CB-CD2 3.68Å; L870-R879 PolarHBondContact O-N 3.24Å; L870-A880 HydrophobicContact CB-CB 4.21Å; L870-A880 HydrophobicContact CD1-CB 4.34Å; L870-A880 PolarHBondContact N-O 3.19Å; L870-A880 PolarHBondContact O-N 3.16Å; L870-F894 HydrophobicContact CD2-CE1 4.36Å; L870-F894 HydrophobicContact CD2-CZ 3.79Å; L870-L901 HydrophobicContact CD2-CD2 4.04Å; L870-V918 HydrophobicContact CD1-CB 4.44Å; L870-V918 HydrophobicContact CD1-CG1 3.67Å
871W85.8Confident80.3Confident35 Ų3544.9 Ų44.913%0.13321%0.208CC..EExtended strand (participates in β ladder)trans-117.8143.4-177.5-76.281.3000111.3I839 L858 L859 E869 K877 K878I839-W871 HydrophobicContact CD1-CD2 4.46Å; I839-W871 HydrophobicContact CD1-CE3 4.38Å; I839-W871 HydrophobicContact CG2-CD2 3.76Å; I839-W871 HydrophobicContact CG2-CE3 3.87Å; I839-W871 HydrophobicContact CG2-CG 4.48Å; I839-W871 HydrophobicContact CG2-CH2 3.74Å; I839-W871 HydrophobicContact CG2-CZ2 3.63Å; I839-W871 HydrophobicContact CG2-CZ3 3.86Å; L858-W871 CarbonylContact C-O 3.57Å; L858-W871 WeakPolarHBondContact CA-O 3.29Å; L859-W871 HydrophobicContact CB-CB 4.3Å; L859-W871 PolarHBondContact N-O 2.86Å; L859-W871 PolarHBondContact O-N 3.27Å; E869-W871 PolarHBondContact OE2-NE1 3.49Å; W871-K877 VanDerWaalsContact CE3-C 3.48Å; W871-K878 HydrophobicContact CD2-CB 4.08Å; W871-K878 HydrophobicContact CE3-CB 4.2Å; W871-K878 HydrophobicContact CH2-CB 4.02Å; W871-K878 HydrophobicContact CZ2-CB 3.88Å; W871-K878 HydrophobicContact CZ2-CD 4.27Å; W871-K878 HydrophobicContact CZ2-CG 4.34Å; W871-K878 HydrophobicContact CZ3-CB 4.17Å
872D85.3Confident79.3Confident21 Ų2144.9 Ų44.911%0.11221%0.208CC..EExtended strand (participates in β ladder)trans-98.3118.8169.5-170.8-42.2000109.4E874 E875 K876 K877 R879D872-E874 PolarHBondContact OD1-N 2.85Å; D872-E875 HydrophobicContact CB-CB 4.28Å; D872-E875 PolarHBondContact OD1-N 3.02Å; D872-E875 VanDerWaalsContact OD1-N 3.15Å; D872-K876 WeakPolarHBondContact O-CA 3.3Å; D872-K876 PolarHBondContact O-N 3.36Å; D872-K877 PolarHBondContact N-O 3.15Å; D872-K877 PolarHBondContact O-N 3.35Å; D872-R879 HydrophobicContact CB-CG 3.73Å; D872-R879 IonicContact OD2-CZ 3.45Å; D872-R879 IonicContact OD2-NE 3.87Å; D872-R879 PolarHBondContact OD2-NE 3.27Å; D872-R879 VanDerWaalsContact OD2-NE 3.15Å; D872-R879 IonicContact OD2-NH2 3.62Å; D872-R879 PolarHBondContact OD2-NH2 2.91Å
873L84.2Confident78.2Confident10 Ų1046.7 Ų46.75%0.05222%0.221CC..THydrogen-bonded Turntrans-73.7-25.2-175.5-67.2172000113.5T811 I818 V827 I839 N857 L859T811-L873 HydrophobicContact CG2-CD1 4.22Å; I818-L873 HydrophobicContact CD1-CD1 3.58Å; I818-L873 HydrophobicContact CD1-CD2 4.15Å; V827-L873 HydrophobicContact CG2-CD2 4.17Å; I839-L873 HydrophobicContact CD1-CD2 4.27Å; N857-L873 WeakPolarHBondContact O-CB 3.33Å; N857-L873 WeakPolarHBondContact O-CG 3.45Å; N857-L873 PolarHBondContact O-N 3.08Å; L859-L873 HydrophobicContact CB-CD1 4.32Å; L859-L873 HydrophobicContact CB-CD2 4.13Å; L859-L873 HydrophobicContact CB-CG 4.12Å; L859-L873 HydrophobicContact CD2-CD2 4Å
874E82.3Confident77.2Confident132 Ų13247.5 Ų47.562%0.61723%0.23SC*.THydrogen-bonded Turntrans-81.9-46.4177.9-74.5-172.8164.900111N857 D872 K876N857-E874 HydrophobicContact CB-CG 4.23Å; N857-E874 WeakPolarHBondContact ND2-CG 3.48Å; N857-E874 PolarHBondContact ND2-OE1 2.86Å; N857-E874 PolarHBondContact ND2-OE2 3.21Å; D872-E874 PolarHBondContact OD1-N 2.85Å; E874-K876 VanDerWaalsContact C-N 3.27Å; E874-K876 PolarHBondContact O-N 3.33Å
875E76.4Confident76.6Confident101 Ų10146.6 Ų46.647%0.47222%0.223SC..THydrogen-bonded Turntrans-76.6-14.9177.9-71.7-166.5-164.600113.4D872 K877 R879D872-E875 HydrophobicContact CB-CB 4.28Å; D872-E875 PolarHBondContact OD1-N 3.02Å; D872-E875 VanDerWaalsContact OD1-N 3.15Å; E875-K877 HydrophobicContact CB-CB 4.29Å; E875-K877 PolarHBondContact O-N 3.07Å; E875-R879 IonicContact OE1-CZ 2.76Å; E875-R879 IonicContact OE1-NH1 3.05Å; E875-R879 PolarHBondContact OE1-NH1 2.69Å; E875-R879 IonicContact OE1-NH2 3.9Å; E875-R879 PolarHBondContact OE1-NH2 2.55Å; E875-R879 IonicContact OE2-CZ 3.65Å; E875-R879 IonicContact OE2-NH1 3.65Å; E875-R879 PolarHBondContact OE2-NH1 3.32Å; E875-R879 IonicContact OE2-NH2 3.48Å; E875-R879 PolarHBondContact OE2-NH2 2.89Å; E875-R879 VanDerWaalsContact OE2-NH2 3.09Å
876K80.1Confident76Confident128 Ų12846.8 Ų46.856%0.55722%0.224SC*.THydrogen-bonded Turntrans55.833.5-174.9-53.9177.5174.4-170.10112L837 D872 E874L837-K876 HydrophobicContact CD1-CB 4.4Å; L837-K876 HydrophobicContact CD1-CD 3.73Å; L837-K876 HydrophobicContact CD1-CG 4.03Å; L837-K876 HydrophobicContact CD2-CG 4.05Å; D872-K876 WeakPolarHBondContact O-CA 3.3Å; D872-K876 PolarHBondContact O-N 3.36Å; E874-K876 VanDerWaalsContact C-N 3.27Å; E874-K876 PolarHBondContact O-N 3.33Å
877K73.3Confident75.8Confident95 Ų9544.9 Ų44.941%0.41322%0.222SC..EExtended strand (participates in β ladder)trans-125145.4-176.3-76.5-172.5177.5-167.30110.7W871 D872 E875 E966W871-K877 VanDerWaalsContact CE3-C 3.48Å; D872-K877 PolarHBondContact N-O 3.15Å; D872-K877 PolarHBondContact O-N 3.35Å; E875-K877 HydrophobicContact CB-CB 4.29Å; E875-K877 PolarHBondContact O-N 3.07Å; K877-E966 IonicContact NZ-OE1 2.71Å; K877-E966 PolarHBondContact NZ-OE1 3.49Å; K877-E966 IonicContact NZ-OE2 2.75Å
878K75.9Confident76Confident66 Ų6650.3 Ų50.329%0.28724%0.238SC..EExtended strand (participates in β ladder)trans-69.2128.8168.3-174.3174.1176.9175.60109.4E869 W871 D881E869-K878 IonicContact OE1-NZ 3.39Å; E869-K878 PolarHBondContact OE1-NZ 3.48Å; W871-K878 HydrophobicContact CD2-CB 4.08Å; W871-K878 HydrophobicContact CE3-CB 4.2Å; W871-K878 HydrophobicContact CH2-CB 4.02Å; W871-K878 HydrophobicContact CZ2-CB 3.88Å; W871-K878 HydrophobicContact CZ2-CD 4.27Å; W871-K878 HydrophobicContact CZ2-CG 4.34Å; W871-K878 HydrophobicContact CZ3-CB 4.17Å; K878-D881 WeakPolarHBondContact CE-OD1 3.25Å; K878-D881 WeakPolarHBondContact CE-OD2 3.27Å; K878-D881 IonicContact NZ-OD1 2.69Å; K878-D881 PolarHBondContact NZ-OD1 3.16Å; K878-D881 IonicContact NZ-OD2 3.47Å; K878-D881 PolarHBondContact NZ-OD2 2.9Å
879R73.1Confident76.1Confident102 Ų10250.3 Ų50.339%0.38524%0.238SC..EExtended strand (participates in β ladder)trans-97-45.5-179.3-69.3-64-160.5-168.76.3112.2L858 L870 D872 E875L858-R879 HydrophobicContact CD2-CG 4.29Å; L870-R879 PolarHBondContact O-N 3.24Å; D872-R879 HydrophobicContact CB-CG 3.73Å; D872-R879 IonicContact OD2-CZ 3.45Å; D872-R879 IonicContact OD2-NE 3.87Å; D872-R879 PolarHBondContact OD2-NE 3.27Å; D872-R879 VanDerWaalsContact OD2-NE 3.15Å; D872-R879 IonicContact OD2-NH2 3.62Å; D872-R879 PolarHBondContact OD2-NH2 2.91Å; E875-R879 IonicContact OE1-CZ 2.76Å; E875-R879 IonicContact OE1-NH1 3.05Å; E875-R879 PolarHBondContact OE1-NH1 2.69Å; E875-R879 IonicContact OE1-NH2 3.9Å; E875-R879 PolarHBondContact OE1-NH2 2.55Å; E875-R879 IonicContact OE2-CZ 3.65Å; E875-R879 IonicContact OE2-NH1 3.65Å; E875-R879 PolarHBondContact OE2-NH1 3.32Å; E875-R879 IonicContact OE2-NH2 3.48Å; E875-R879 PolarHBondContact OE2-NH2 2.89Å; E875-R879 VanDerWaalsContact OE2-NH2 3.09Å
880A70.1Confident76.3Confident10 Ų1051.3 Ų51.38%0.08324%0.243CC..EExtended strand (participates in β ladder)trans-153.7164-174.200000113L870 V918L870-A880 HydrophobicContact CB-CB 4.21Å; L870-A880 HydrophobicContact CD1-CB 4.34Å; L870-A880 PolarHBondContact N-O 3.19Å; L870-A880 PolarHBondContact O-N 3.16Å; A880-V918 HydrophobicContact CB-CG1 3.62Å; A880-V918 WeakPolarHBondContact CB-O 3.26Å
881D71.7Confident76.6Confident32 Ų3252.1 Ų52.117%0.17125%0.246CC..EExtended strand (participates in β ladder)trans-121.9121.4173.1-82.3-46.8000109.1E869 K878E869-D881 WeakPolarHBondContact CG-OD1 3.34Å; K878-D881 WeakPolarHBondContact CE-OD1 3.25Å; K878-D881 WeakPolarHBondContact CE-OD2 3.27Å; K878-D881 IonicContact NZ-OD1 2.69Å; K878-D881 PolarHBondContact NZ-OD1 3.16Å; K878-D881 IonicContact NZ-OD2 3.47Å; K878-D881 PolarHBondContact NZ-OD2 2.9Å
882C70.9Confident77Confident1 Ų150.5 Ų50.51%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-95.6100167.4-38.80000108.2I868 W913I868-C882 HydrophobicContact CB-CB 3.99Å; I868-C882 HydrophobicContact CD1-CB 4.43Å; I868-C882 PolarHBondContact N-O 3.35Å; I868-C882 VanDerWaalsContact N-O 3.15Å; I868-C882 PolarHBondContact O-N 3.31Å; C882-W913 HydrophobicContact CB-CD2 3.9Å; C882-W913 HydrophobicContact CB-CE3 3.75Å; C882-W913 HydrophobicContact CB-CH2 3.92Å; C882-W913 HydrophobicContact CB-CZ2 4.07Å; C882-W913 HydrophobicContact CB-CZ3 3.75Å
883S66.5Low77.4Confident38 Ų3851.5 Ų51.527%0.26624%0.244SC..EExtended strand (participates in β ladder)trans-99.3131.5170.459.10000109.8
884G63.2Low77.8Confident19 Ų1951.2 Ų51.220%0.19624%0.242CC..  trans169.7-24.3174.900000114.3R911G884-R911 VanDerWaalsContact C-CZ 3.48Å; G884-R911 PolarHBondContact O-NE 3.29Å; G884-R911 PolarHBondContact O-NH2 2.91Å
885H67.2Low78.2Confident5 Ų545 Ų452%0.02321%0.213CC..  trans-66.8156166.7-74.6-64.2000111.1Y866 V889 S903 S905 D907 T909Y866-H885 WeakPolarHBondContact CB-O 3.46Å; H885-V889 HydrophobicContact CB-CG2 3.83Å; H885-S903 WeakPolarHBondContact NE2-CB 3.46Å; H885-S903 PolarHBondContact NE2-OG 2.91Å; H885-S905 WeakPolarHBondContact ND1-CB 3.38Å; H885-D907 VanDerWaalsContact CA-OD2 3.23Å; H885-D907 WeakPolarHBondContact CA-OD2 3.42Å; H885-D907 WeakPolarHBondContact CB-OD2 3.33Å; H885-D907 IonicContact CG-OD2 2.85Å; H885-D907 IonicContact ND1-OD1 4Å; H885-D907 IonicContact ND1-OD2 3.51Å; H885-D907 PolarHBondContact ND1-OD2 3.33Å; H885-T909 PolarHBondContact CE1-OG1 2.9Å; H885-T909 PolarHBondContact ND1-OG1 3.28Å
886L61.7Low78.7Confident57 Ų5746.1 Ų46.130%0.29821%0.213SC..SBendtrans-115.8-5.1-174.8-57.3165.8000112.6S554 L555 D907S554-L886 WeakPolarHBondContact O-CD1 3.41Å; L555-L886 HydrophobicContact CD2-CD1 4.2Å; L555-L886 HydrophobicContact CD2-CD2 3.99Å; L555-L886 HydrophobicContact CD2-CG 4.44Å; L886-D907 HydrophobicContact CB-CB 4.05Å; L886-D907 PolarHBondContact N-OD2 2.98Å
887S70.8Confident78.9Confident40 Ų4045 Ų4528%0.2821%0.214SC..SBendtrans-144.9-174.1177.9-163.40000109.3Y866 V889 S905 D906Y866-S887 VanDerWaalsContact CA-O 3.22Å; Y866-S887 WeakPolarHBondContact CA-O 3.45Å; Y866-S887 WeakPolarHBondContact CB-O 3.2Å; S887-V889 PolarHBondContact O-N 2.79Å; S887-S905 PolarHBondContact O-OG 3.08Å; S887-D906 WeakPolarHBondContact OG-CB 3.41Å
888W80.7Confident79.4Confident135 Ų13540.9 Ų40.951%0.51120%0.198SC..  trans-57128.7-177.3-61-0.5000111S864 Q890 S905 D906S864-W888 PolarHBondContact O-NE1 2.85Å; S864-W888 VanDerWaalsContact O-NE1 3.11Å; W888-Q890 PolarHBondContact O-N 3.33Å; W888-S905 VanDerWaalsContact O-CA 3.26Å; W888-S905 WeakPolarHBondContact O-CA 3.41Å; W888-S905 WeakPolarHBondContact O-CB 3.13Å; W888-S905 PolarHBondContact O-OG 2.83Å; W888-D906 PolarHBondContact O-N 2.96Å; W888-D906 VanDerWaalsContact O-N 3.08Å
889V87.4Confident79.9Confident0 Ų039.8 Ų39.80%020%0.198CC..EExtended strand (participates in β ladder)trans-82.2108.8173.8-174.90000107.4Q848 A862 F863 I868 H885 S887 V892 C904Q848-V889 WeakPolarHBondContact CB-O 3.49Å; A862-V889 HydrophobicContact CB-CB 3.97Å; A862-V889 HydrophobicContact CB-CG1 3.75Å; F863-V889 PolarHBondContact O-N 2.8Å; I868-V889 HydrophobicContact CD1-CG1 4.06Å; I868-V889 HydrophobicContact CD1-CG2 4.4Å; I868-V889 HydrophobicContact CG1-CB 4.43Å; I868-V889 HydrophobicContact CG1-CG1 4.03Å; I868-V889 HydrophobicContact CG1-CG2 4.04Å; H885-V889 HydrophobicContact CB-CG2 3.83Å; S887-V889 PolarHBondContact O-N 2.79Å; V889-V892 HydrophobicContact CG1-CG1 3.91Å; V889-C904 CarbonylContact C-O 3.59Å; V889-C904 WeakPolarHBondContact CG1-O 3.4Å
890Q89.1Confident80.6Confident46 Ų4636.2 Ų36.222%0.21519%0.186CC..EExtended strand (participates in β ladder)trans-74.2-43.2-175.3-67.8-65.2-9.200111.4Y849 W888 C904 D906Y849-Q890 WeakPolarHBondContact CB-O 3.24Å; W888-Q890 PolarHBondContact O-N 3.33Å; Q890-C904 PolarHBondContact N-O 3.16Å; Q890-D906 VanDerWaalsContact CG-OD1 3.28Å; Q890-D906 WeakPolarHBondContact CG-OD1 3.35Å; Q890-D906 PolarHBondContact NE2-OD1 2.84Å; Q890-D906 PolarHBondContact NE2-OD2 2.62Å
891R92.1Very high81.5Confident21 Ų2135.8 Ų35.88%0.07918%0.182CC..EExtended strand (participates in β ladder)trans-145.7148.9-177.3-158.2174.6-176.4165.36.7112.3S625 C667 H710 Y849 S903 C904S625-R891 PolarHBondContact OG-NH1 3.31Å; C667-R891 PolarHBondContact SG-NH1 3.2Å; H710-R891 PolarHBondContact CE1-NH2 3.47Å; H710-R891 PolarHBondContact NE2-NH2 2.89Å; Y849-R891 HydrophobicContact CD1-CG 3.87Å; Y849-R891 HydrophobicContact CD2-CG 3.98Å; Y849-R891 HydrophobicContact CE1-CG 3.78Å; Y849-R891 HydrophobicContact CE2-CG 3.86Å; Y849-R891 HydrophobicContact CG-CG 3.97Å; Y849-R891 PolarHBondContact OH-NE 3.09Å; Y849-R891 VanDerWaalsContact OH-NE 3.14Å; Y849-R891 PolarHBondContact OH-NH2 2.93Å; R891-S903 WeakPolarHBondContact O-CA 3.26Å; R891-C904 VanDerWaalsContact CB-SG 3.54Å; R891-C904 PolarHBondContact N-O 3.12Å; R891-C904 PolarHBondContact O-N 2.81Å
892V94.1Very high82.5Confident1 Ų134.3 Ų34.31%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-131.6141.6169.4-71.10000110.2Y849 H851 A860 A862 I868 V889 L901 L902Y849-V892 HydrophobicContact CD1-CG2 3.94Å; Y849-V892 WeakPolarHBondContact CD1-O 3.39Å; Y849-V892 WeakPolarHBondContact CE1-O 3.37Å; H851-V892 HydrophobicContact CB-CG2 4.49Å; H851-V892 WeakPolarHBondContact CB-O 3.49Å; A860-V892 HydrophobicContact CB-CG2 4.04Å; A862-V892 HydrophobicContact CB-CG1 3.84Å; A862-V892 HydrophobicContact CB-CG2 3.97Å; I868-V892 HydrophobicContact CD1-CG1 3.87Å; I868-V892 HydrophobicContact CG1-CG1 4.09Å; I868-V892 HydrophobicContact CG2-CG1 4.06Å; V889-V892 HydrophobicContact CG1-CG1 3.91Å; V892-L901 HydrophobicContact CB-CD1 4.37Å; V892-L902 CarbonylContact C-O 3.56Å; V892-L902 VanDerWaalsContact CA-O 3.24Å; V892-L902 WeakPolarHBondContact CA-O 3.49Å
893Q94.4Very high83.4Confident42 Ų4234.3 Ų34.320%0.19617%0.174CC..EExtended strand (participates in β ladder)trans-144.1132.1176.5-162.3-172.91900110.7L902Q893-L902 PolarHBondContact N-O 3.3Å; Q893-L902 WeakPolarHBondContact O-CB 3.18Å; Q893-L902 PolarHBondContact O-N 2.85Å
894F93.6Very high84.5Confident4 Ų432.6 Ų32.62%0.01816%0.162CC..EExtended strand (participates in β ladder)trans-76.8146.4169.6-76-73.3000110.3H851 C853 L858 A860 L870 Q900 L901 T915H851-F894 AromaticContact ND1-CD2 3.62Å; H851-F894 PolarHBondContact ND1-N 3.45Å; H851-F894 VanDerWaalsContact ND1-N 3.16Å; H851-F894 WeakPolarHBondContact O-CE2 3.47Å; C853-F894 HydrophobicContact CB-CD1 4.45Å; C853-F894 HydrophobicContact CB-CD2 3.77Å; C853-F894 HydrophobicContact CB-CE2 3.94Å; C853-F894 HydrophobicContact CB-CG 4.04Å; C853-F894 HydrophobicContact CB-CZ 4.35Å; L858-F894 HydrophobicContact CB-CZ 4.16Å; A860-F894 HydrophobicContact CB-CD2 4.4Å; A860-F894 HydrophobicContact CB-CE2 3.55Å; A860-F894 HydrophobicContact CB-CZ 3.78Å; L870-F894 HydrophobicContact CD2-CE1 4.36Å; L870-F894 HydrophobicContact CD2-CZ 3.79Å; F894-Q900 WeakPolarHBondContact CA-O 3.2Å; F894-L901 HydrophobicContact CD1-CB 4.23Å; F894-L901 HydrophobicContact CD1-CD1 3.76Å; F894-L901 HydrophobicContact CD2-CD1 4.26Å; F894-L901 HydrophobicContact CE1-CB 4.25Å; F894-L901 HydrophobicContact CE1-CD1 3.76Å; F894-L901 HydrophobicContact CE2-CD1 4.26Å; F894-L901 HydrophobicContact CG-CD1 4.03Å; F894-L901 HydrophobicContact CZ-CD1 4.02Å; F894-T915 HydrophobicContact CD1-CG2 3.83Å; F894-T915 HydrophobicContact CE1-CG2 3.61Å
895S90.9Very high85.5Confident3 Ų331.7 Ų31.72%0.02115%0.153CC..  trans-63154.3161.760.10000109.8D897 G898 S899 Q900S895-D897 WeakPolarHBondContact CB-OD1 3.04Å; S895-D897 PolarHBondContact O-N 3.3Å; S895-D897 PolarHBondContact OG-OD1 3.46Å; S895-G898 WeakPolarHBondContact O-CA 3.35Å; S895-G898 PolarHBondContact O-N 3.34Å; S895-S899 PolarHBondContact OG-N 3.18Å; S895-Q900 PolarHBondContact N-O 3.49Å; S895-Q900 PolarHBondContact OG-N 3.22Å; S895-Q900 PolarHBondContact OG-O 2.96Å
896R85.6Confident85.9Confident124 Ų12433 Ų3347%0.46816%0.16SC..THydrogen-bonded Turntrans-62-31.5-175.4-168.3179.6176.2102.5-9.6113.1H630 G898H630-R896 PolarHBondContact CE1-NH1 3.15Å; H630-R896 PolarHBondContact ND1-NH1 3.11Å; H630-R896 PolarHBondContact NE2-NE 3.43Å; H630-R896 PolarHBondContact NE2-NH1 3.17Å; H630-R896 VanDerWaalsContact NE2-NH1 3.15Å; H630-R896 PolarHBondContact NE2-NH2 3.25Å; R896-G898 VanDerWaalsContact C-N 3.29Å
897D84.5Confident86.1Confident105 Ų10531.3 Ų31.356%0.56115%0.151SC*.THydrogen-bonded Turntrans-79.6-8.6174.267.3-14000113.4A855 S895 S899A855-D897 WeakPolarHBondContact CB-O 3.22Å; S895-D897 WeakPolarHBondContact CB-OD1 3.04Å; S895-D897 PolarHBondContact O-N 3.3Å; S895-D897 PolarHBondContact OG-OD1 3.46Å; D897-S899 PolarHBondContact O-N 2.92Å; D897-S899 PolarHBondContact OD1-N 2.95Å; D897-S899 VanDerWaalsContact OD1-N 3.13Å; D897-S899 PolarHBondContact OD1-OG 3.43Å; D897-S899 WeakPolarHBondContact OD2-CB 3.26Å; D897-S899 PolarHBondContact OD2-OG 3.08Å
898G84.3Confident86.3Confident8 Ų832.2 Ų32.28%0.08215%0.151CC..SBendtrans72.16.2-178.200000115.2C853 S895 R896 T915C853-G898 VanDerWaalsContact SG-CA 3.54Å; S895-G898 WeakPolarHBondContact O-CA 3.35Å; S895-G898 PolarHBondContact O-N 3.34Å; R896-G898 VanDerWaalsContact C-N 3.29Å; G898-T915 WeakPolarHBondContact O-CB 3.3Å; G898-T915 VanDerWaalsContact O-CG2 3.29Å; G898-T915 WeakPolarHBondContact O-CG2 3.38Å; G898-T915 PolarHBondContact O-OG1 3.16Å
899S85.5Confident86Confident42 Ų4225.8 Ų25.829%0.29413%0.127SC..SBendtrans-78.5-24.2-177.670.90000113.4S895 D897 T915S895-S899 PolarHBondContact OG-N 3.18Å; D897-S899 PolarHBondContact O-N 2.92Å; D897-S899 PolarHBondContact OD1-N 2.95Å; D897-S899 VanDerWaalsContact OD1-N 3.13Å; D897-S899 PolarHBondContact OD1-OG 3.43Å; D897-S899 WeakPolarHBondContact OD2-CB 3.26Å; D897-S899 PolarHBondContact OD2-OG 3.08Å; S899-T915 WeakPolarHBondContact CA-OG1 3.29Å; S899-T915 PolarHBondContact O-N 2.93Å; S899-T915 PolarHBondContact O-OG1 2.87Å
900Q87.5Confident85.7Confident27 Ų2725.9 Ų25.913%0.12613%0.127CC..EExtended strand (participates in β ladder)trans-129.7151-177.5-63178.124.700111.4F628 F894 S895 W913F628-Q900 HydrophobicContact CZ-CB 3.95Å; F894-Q900 WeakPolarHBondContact CA-O 3.2Å; S895-Q900 PolarHBondContact N-O 3.49Å; S895-Q900 PolarHBondContact OG-N 3.22Å; S895-Q900 PolarHBondContact OG-O 2.96Å; Q900-W913 CarbonylContact C-O 3.54Å; Q900-W913 VanDerWaalsContact CA-O 3.27Å; Q900-W913 WeakPolarHBondContact CA-O 3.47Å
901L90.8Very high85.5Confident1 Ų123.9 Ų23.91%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-119.5131.6170.1179.674.1000108A860 I868 L870 V892 F894 L912 W913 T915A860-L901 HydrophobicContact CB-CD1 3.82Å; I868-L901 HydrophobicContact CG2-CD2 4.14Å; L870-L901 HydrophobicContact CD2-CD2 4.04Å; V892-L901 HydrophobicContact CB-CD1 4.37Å; F894-L901 HydrophobicContact CD1-CB 4.23Å; F894-L901 HydrophobicContact CD1-CD1 3.76Å; F894-L901 HydrophobicContact CD2-CD1 4.26Å; F894-L901 HydrophobicContact CE1-CB 4.25Å; F894-L901 HydrophobicContact CE1-CD1 3.76Å; F894-L901 HydrophobicContact CE2-CD1 4.26Å; F894-L901 HydrophobicContact CG-CD1 4.03Å; F894-L901 HydrophobicContact CZ-CD1 4.02Å; L901-L912 CarbonylContact O-C 3.5Å; L901-L912 WeakPolarHBondContact O-CA 3.46Å; L901-W913 HydrophobicContact CB-CB 4.18Å; L901-W913 HydrophobicContact CD2-CG 4.44Å; L901-W913 PolarHBondContact N-O 3.26Å; L901-W913 VanDerWaalsContact O-CD1 3.27Å; L901-W913 PolarHBondContact O-N 2.92Å; L901-T915 HydrophobicContact CB-CG2 4.2Å
902L91.6Very high85Confident2 Ų223 Ų231%0.0111%0.114CC..EExtended strand (participates in β ladder)trans-102.6138.7172.3179.269000108.8A626 F628 I635 V892 Q893 I910 R911 L912A626-L902 HydrophobicContact CB-CD2 3.83Å; A626-L902 HydrophobicContact CB-CG 4.27Å; F628-L902 HydrophobicContact CD2-CB 3.95Å; F628-L902 HydrophobicContact CD2-CD2 4.25Å; F628-L902 HydrophobicContact CE2-CB 3.41Å; F628-L902 VanDerWaalsContact CE2-CB 3.41Å; F628-L902 HydrophobicContact CE2-CD2 4.43Å; F628-L902 HydrophobicContact CE2-CG 4.47Å; F628-L902 HydrophobicContact CZ-CB 3.9Å; I635-L902 HydrophobicContact CD1-CD1 4.08Å; I635-L902 HydrophobicContact CG2-CD1 4.13Å; I635-L902 HydrophobicContact CG2-CD2 4.02Å; V892-L902 CarbonylContact C-O 3.56Å; V892-L902 VanDerWaalsContact CA-O 3.24Å; V892-L902 WeakPolarHBondContact CA-O 3.49Å; Q893-L902 PolarHBondContact N-O 3.3Å; Q893-L902 WeakPolarHBondContact O-CB 3.18Å; Q893-L902 PolarHBondContact O-N 2.85Å; L902-I910 HydrophobicContact CD1-CG2 3.23Å; L902-I910 HydrophobicContact CG-CG2 4.33Å; L902-R911 WeakPolarHBondContact CA-O 3.32Å; L902-L912 HydrophobicContact CB-CD2 4.18Å; L902-L912 HydrophobicContact CD1-CD2 3.65Å; L902-L912 HydrophobicContact CD1-CG 4.25Å
903S90.1Very high84.5Confident1 Ų123 Ų231%0.00711%0.114CC..EExtended strand (participates in β ladder)trans-137.2145.1170.861.90000111.6H885 R891 I910 R911 W913H885-S903 WeakPolarHBondContact NE2-CB 3.46Å; H885-S903 PolarHBondContact NE2-OG 2.91Å; R891-S903 WeakPolarHBondContact O-CA 3.26Å; S903-I910 CarbonylContact O-C 3.6Å; S903-I910 WeakPolarHBondContact O-CA 3.23Å; S903-R911 PolarHBondContact N-O 2.93Å; S903-R911 PolarHBondContact O-N 3Å; S903-R911 PolarHBondContact OG-O 3.11Å; S903-W913 PolarHBondContact OG-NE1 2.95Å
904C89.2Confident83.8Confident1 Ų123.7 Ų23.71%0.00712%0.117CC..EExtended strand (participates in β ladder)trans-129150173.469.40000111I623 A626 V889 Q890 R891 I910I623-C904 HydrophobicContact CB-CB 4.05Å; I623-C904 HydrophobicContact CG2-CB 3.62Å; I623-C904 PolarHBondContact O-SG 3.21Å; A626-C904 HydrophobicContact CB-CB 3.92Å; V889-C904 CarbonylContact C-O 3.59Å; V889-C904 WeakPolarHBondContact CG1-O 3.4Å; Q890-C904 PolarHBondContact N-O 3.16Å; R891-C904 VanDerWaalsContact CB-SG 3.54Å; R891-C904 PolarHBondContact N-O 3.12Å; R891-C904 PolarHBondContact O-N 2.81Å; C904-I910 HydrophobicContact CB-CG1 4.28Å
905S84.1Confident83.2Confident0 Ų024 Ų240%012%0.12CC..EExtended strand (participates in β ladder)trans-144.7163.2-168.8167.30000111.5I623 H885 S887 W888 D907 Q908 T909I623-S905 PolarHBondContact N-O 3.17Å; H885-S905 WeakPolarHBondContact ND1-CB 3.38Å; S887-S905 PolarHBondContact O-OG 3.08Å; W888-S905 VanDerWaalsContact O-CA 3.26Å; W888-S905 WeakPolarHBondContact O-CA 3.41Å; W888-S905 WeakPolarHBondContact O-CB 3.13Å; W888-S905 PolarHBondContact O-OG 2.83Å; S905-D907 VanDerWaalsContact CB-OD1 3.22Å; S905-D907 WeakPolarHBondContact CB-OD1 2.95Å; S905-D907 PolarHBondContact O-N 2.8Å; S905-D907 PolarHBondContact OG-N 2.89Å; S905-D907 VanDerWaalsContact OG-N 3.16Å; S905-D907 PolarHBondContact OG-OD1 2.73Å; S905-D907 PolarHBondContact OG-OD2 2.88Å; S905-D907 VanDerWaalsContact OG-OD2 3.07Å; S905-Q908 PolarHBondContact O-N 3.48Å; S905-T909 PolarHBondContact N-O 3.25Å
906D76.9Confident82.3Confident34 Ų3430.6 Ų30.618%0.18215%0.151CC..THydrogen-bonded Turntrans-66.7-12.6171.2-71.1-15.4000112.9S622 S887 W888 Q890 Q908S622-D906 WeakPolarHBondContact CB-OD1 3.38Å; S622-D906 PolarHBondContact OG-OD1 3.46Å; S887-D906 WeakPolarHBondContact OG-CB 3.41Å; W888-D906 PolarHBondContact O-N 2.96Å; W888-D906 VanDerWaalsContact O-N 3.08Å; Q890-D906 VanDerWaalsContact CG-OD1 3.28Å; Q890-D906 WeakPolarHBondContact CG-OD1 3.35Å; Q890-D906 PolarHBondContact NE2-OD1 2.84Å; Q890-D906 PolarHBondContact NE2-OD2 2.62Å; D906-Q908 PolarHBondContact O-N 3.42Å
907D65.4Low81.4Confident20 Ų2027.5 Ų27.511%0.10714%0.14CC..THydrogen-bonded Turntrans-70.98.5171.765.719.8000114.1H885 L886 S905 T909H885-D907 VanDerWaalsContact CA-OD2 3.23Å; H885-D907 WeakPolarHBondContact CA-OD2 3.42Å; H885-D907 WeakPolarHBondContact CB-OD2 3.33Å; H885-D907 IonicContact CG-OD2 2.85Å; H885-D907 IonicContact ND1-OD1 4Å; H885-D907 IonicContact ND1-OD2 3.51Å; H885-D907 PolarHBondContact ND1-OD2 3.33Å; L886-D907 HydrophobicContact CB-CB 4.05Å; L886-D907 PolarHBondContact N-OD2 2.98Å; S905-D907 VanDerWaalsContact CB-OD1 3.22Å; S905-D907 WeakPolarHBondContact CB-OD1 2.95Å; S905-D907 PolarHBondContact O-N 2.8Å; S905-D907 PolarHBondContact OG-N 2.89Å; S905-D907 VanDerWaalsContact OG-N 3.16Å; S905-D907 PolarHBondContact OG-OD1 2.73Å; S905-D907 PolarHBondContact OG-OD2 2.88Å; S905-D907 VanDerWaalsContact OG-OD2 3.07Å; D907-T909 VanDerWaalsContact CG-OG1 3.25Å; D907-T909 WeakPolarHBondContact O-CG2 3.33Å; D907-T909 PolarHBondContact O-N 3.41Å; D907-T909 WeakPolarHBondContact OD1-CA 3.47Å; D907-T909 VanDerWaalsContact OD1-CB 3.23Å; D907-T909 WeakPolarHBondContact OD1-CB 3.18Å; D907-T909 WeakPolarHBondContact OD1-CG2 3.49Å; D907-T909 PolarHBondContact OD1-N 3.46Å; D907-T909 PolarHBondContact OD1-OG1 2.81Å; D907-T909 PolarHBondContact OD2-OG1 2.78Å
908Q75Confident80.3Confident60 Ų6022.6 Ų22.628%0.2811%0.114SC..SBendtrans66.415.7179.4-40.3-177.7-100113.3G621 I623 S905 D906G621-Q908 WeakPolarHBondContact O-CG 3.49Å; I623-Q908 WeakPolarHBondContact CD1-O 3.48Å; S905-Q908 PolarHBondContact O-N 3.48Å; D906-Q908 PolarHBondContact O-N 3.42Å
909T73.6Confident78.9Confident0 Ų027 Ų270%013%0.132CC..  trans-112147.9-178.978.80000112.6V615 I616 H617 H885 S905 D907V615-T909 HydrophobicContact CG1-CG2 4.3Å; I616-T909 WeakPolarHBondContact O-CA 3.28Å; H617-T909 VanDerWaalsContact CD2-CG2 3.46Å; H617-T909 WeakPolarHBondContact CD2-CG2 3.38Å; H617-T909 VanDerWaalsContact NE2-CG2 3.26Å; H617-T909 WeakPolarHBondContact NE2-CG2 3.27Å; H885-T909 PolarHBondContact CE1-OG1 2.9Å; H885-T909 PolarHBondContact ND1-OG1 3.28Å; S905-T909 PolarHBondContact N-O 3.25Å; D907-T909 VanDerWaalsContact CG-OG1 3.25Å; D907-T909 WeakPolarHBondContact O-CG2 3.33Å; D907-T909 PolarHBondContact O-N 3.41Å; D907-T909 WeakPolarHBondContact OD1-CA 3.47Å; D907-T909 VanDerWaalsContact OD1-CB 3.23Å; D907-T909 WeakPolarHBondContact OD1-CB 3.18Å; D907-T909 WeakPolarHBondContact OD1-CG2 3.49Å; D907-T909 PolarHBondContact OD1-N 3.46Å; D907-T909 PolarHBondContact OD1-OG1 2.81Å; D907-T909 PolarHBondContact OD2-OG1 2.78Å
910I82.5Confident77.1Confident1 Ų129.5 Ų29.51%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-111.1128.8163.7-61.5-178000107.3V615 I616 P618 I623 A626 L902 S903 C904V615-I910 CarbonylContact C-O 3.58Å; V615-I910 WeakPolarHBondContact CA-O 3.2Å; I616-I910 HydrophobicContact CB-CB 4.35Å; I616-I910 PolarHBondContact N-O 2.89Å; I616-I910 PolarHBondContact O-N 2.82Å; P618-I910 HydrophobicContact CG-CD1 3.67Å; P618-I910 HydrophobicContact CG-CG1 3.97Å; I623-I910 HydrophobicContact CD1-CD1 4.17Å; I623-I910 HydrophobicContact CD1-CG1 3.6Å; I623-I910 HydrophobicContact CG2-CD1 4.36Å; I623-I910 HydrophobicContact CG2-CG1 4.31Å; A626-I910 HydrophobicContact CB-CD1 3.85Å; A626-I910 HydrophobicContact CB-CG1 4.38Å; L902-I910 HydrophobicContact CD1-CG2 3.23Å; L902-I910 HydrophobicContact CG-CG2 4.33Å; S903-I910 CarbonylContact O-C 3.6Å; S903-I910 WeakPolarHBondContact O-CA 3.23Å; C904-I910 HydrophobicContact CB-CG1 4.28Å
911R83.6Confident75.2Confident5 Ų529.7 Ų29.72%0.01915%0.15CC..EExtended strand (participates in β ladder)trans-116.1134.8177.3-63.4-175.6172.8-119.8-0.5110.2S612 L614 V615 G884 L902 S903 W913S612-R911 PolarHBondContact OG-NH1 3.26Å; L614-R911 WeakPolarHBondContact O-CA 3.42Å; V615-R911 HydrophobicContact CG1-CG 4.2Å; V615-R911 HydrophobicContact CG2-CG 4.14Å; G884-R911 VanDerWaalsContact C-CZ 3.48Å; G884-R911 PolarHBondContact O-NE 3.29Å; G884-R911 PolarHBondContact O-NH2 2.91Å; L902-R911 WeakPolarHBondContact CA-O 3.32Å; S903-R911 PolarHBondContact N-O 2.93Å; S903-R911 PolarHBondContact O-N 3Å; S903-R911 PolarHBondContact OG-O 3.11Å; R911-W913 HydrophobicContact CB-CZ2 3.8Å; R911-W913 HydrophobicContact CG-CZ2 4.33Å
912L81.8Confident73.1Confident1 Ų132.1 Ų32.11%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-102.9129.7167.1-73.6172.8000109.3S612 R613 L614 F628 I635 S649 L901 L902S612-L912 CarbonylContact C-O 3.51Å; S612-L912 WeakPolarHBondContact CA-O 3.23Å; R613-L912 PolarHBondContact N-O 2.94Å; L614-L912 HydrophobicContact CB-CB 4.15Å; L614-L912 HydrophobicContact CB-CD1 4.11Å; L614-L912 HydrophobicContact CD2-CD1 3.83Å; L614-L912 PolarHBondContact N-O 3.28Å; L614-L912 PolarHBondContact O-N 2.81Å; F628-L912 HydrophobicContact CE1-CD2 3.65Å; F628-L912 HydrophobicContact CE2-CD2 4.29Å; F628-L912 HydrophobicContact CZ-CD2 3.27Å; I635-L912 HydrophobicContact CD1-CD1 3.55Å; I635-L912 HydrophobicContact CD1-CD2 3.78Å; I635-L912 HydrophobicContact CD1-CG 3.92Å; S649-L912 WeakPolarHBondContact O-CD1 3.31Å; L901-L912 CarbonylContact O-C 3.5Å; L901-L912 WeakPolarHBondContact O-CA 3.46Å; L902-L912 HydrophobicContact CB-CD2 4.18Å; L902-L912 HydrophobicContact CD1-CD2 3.65Å; L902-L912 HydrophobicContact CD1-CG 4.25Å
913W83.1Confident71Confident2 Ų234.2 Ų34.21%0.00819%0.185CC..EExtended strand (participates in β ladder)trans-116.5139.4176.7-38.980.6000108.7L611 I868 C882 Q900 L901 S903 R911 V918L611-W913 HydrophobicContact CB-CE3 3.79Å; L611-W913 HydrophobicContact CB-CZ3 3.75Å; I868-W913 HydrophobicContact CD1-CZ2 4.23Å; C882-W913 HydrophobicContact CB-CD2 3.9Å; C882-W913 HydrophobicContact CB-CE3 3.75Å; C882-W913 HydrophobicContact CB-CH2 3.92Å; C882-W913 HydrophobicContact CB-CZ2 4.07Å; C882-W913 HydrophobicContact CB-CZ3 3.75Å; Q900-W913 CarbonylContact C-O 3.54Å; Q900-W913 VanDerWaalsContact CA-O 3.27Å; Q900-W913 WeakPolarHBondContact CA-O 3.47Å; L901-W913 HydrophobicContact CB-CB 4.18Å; L901-W913 HydrophobicContact CD2-CG 4.44Å; L901-W913 PolarHBondContact N-O 3.26Å; L901-W913 VanDerWaalsContact O-CD1 3.27Å; L901-W913 PolarHBondContact O-N 2.92Å; S903-W913 PolarHBondContact OG-NE1 2.95Å; R911-W913 HydrophobicContact CB-CZ2 3.8Å; R911-W913 HydrophobicContact CG-CZ2 4.33Å; W913-V918 HydrophobicContact CB-CG2 3.94Å
914E81Confident69.3Low56 Ų5634.9 Ų34.926%0.26219%0.189SC..EExtended strand (participates in β ladder)trans-85.1119.1169.8-76.1173.617800108.2R613 E916 K917 V918R613-E914 HydrophobicContact CB-CG 4.2Å; R613-E914 VanDerWaalsContact CD-OE1 3.27Å; R613-E914 WeakPolarHBondContact CD-OE1 3.42Å; R613-E914 HydrophobicContact CG-CG 4.46Å; R613-E914 IonicContact CZ-OE1 3.4Å; R613-E914 IonicContact NE-OE1 3.89Å; R613-E914 IonicContact NH1-OE1 2.67Å; R613-E914 PolarHBondContact NH1-OE1 2.78Å; E914-E916 PolarHBondContact O-N 2.94Å; E914-K917 HydrophobicContact CB-CB 3.63Å; E914-K917 PolarHBondContact O-N 3.4Å; E914-K917 VanDerWaalsContact O-N 3.14Å; E914-V918 WeakPolarHBondContact O-CB 3.19Å; E914-V918 VanDerWaalsContact O-CG2 3.24Å; E914-V918 WeakPolarHBondContact O-CG2 3.48Å; E914-V918 PolarHBondContact O-N 3.45Å
915T79.6Confident68.1Low12 Ų1235.5 Ų35.57%0.07419%0.193CC..Hα-helixtrans-63.1-35.3-178.759.10000110.5F894 G898 S899 L901 V918 H919F894-T915 HydrophobicContact CD1-CG2 3.83Å; F894-T915 HydrophobicContact CE1-CG2 3.61Å; G898-T915 WeakPolarHBondContact O-CB 3.3Å; G898-T915 VanDerWaalsContact O-CG2 3.29Å; G898-T915 WeakPolarHBondContact O-CG2 3.38Å; G898-T915 PolarHBondContact O-OG1 3.16Å; S899-T915 WeakPolarHBondContact CA-OG1 3.29Å; S899-T915 PolarHBondContact O-N 2.93Å; S899-T915 PolarHBondContact O-OG1 2.87Å; L901-T915 HydrophobicContact CB-CG2 4.2Å; T915-V918 PolarHBondContact O-N 3.15Å; T915-H919 WeakPolarHBondContact O-CB 3.34Å; T915-H919 PolarHBondContact O-N 2.73Å; T915-H919 PolarHBondContact O-ND1 3.15Å
916E73Confident67.8Low141 Ų14135.7 Ų35.766%0.65919%0.194SC*.Hα-helixtrans-64.3-44.2174.9-78.6-163.9-179.900112.5E914 H919 T920E914-E916 PolarHBondContact O-N 2.94Å; E916-H919 WeakPolarHBondContact CA-CE1 3.23Å; E916-H919 WeakPolarHBondContact CA-ND1 3.36Å; E916-H919 PolarHBondContact O-CE1 3.14Å; E916-H919 PolarHBondContact O-ND1 2.95Å; E916-T920 WeakPolarHBondContact O-CB 3.46Å; E916-T920 PolarHBondContact O-N 3.22Å; E916-T920 VanDerWaalsContact O-N 3.11Å; E916-T920 PolarHBondContact O-OG1 3.31Å
917K65.9Low68.1Low58 Ų5835.1 Ų35.125%0.25219%0.19SC..Hα-helixtrans-67-46.4176.6-164.2177.3-179.3-177.50110.6E609 E914 H919 T920 S921E609-K917 WeakPolarHBondContact OE2-CE 3.37Å; E609-K917 IonicContact OE2-NZ 2.79Å; E609-K917 PolarHBondContact OE2-NZ 3.28Å; E914-K917 HydrophobicContact CB-CB 3.63Å; E914-K917 PolarHBondContact O-N 3.4Å; E914-K917 VanDerWaalsContact O-N 3.14Å; K917-H919 PolarHBondContact O-N 3.12Å; K917-T920 PolarHBondContact O-N 2.72Å; K917-T920 PolarHBondContact O-OG1 2.9Å; K917-S921 VanDerWaalsContact O-CA 3.27Å; K917-S921 WeakPolarHBondContact O-CA 3.34Å; K917-S921 WeakPolarHBondContact O-CB 3.35Å; K917-S921 PolarHBondContact O-N 3.31Å; K917-S921 PolarHBondContact O-OG 3.13Å
918V62.4Low68.8Low2 Ų239.1 Ų39.11%0.01220%0.204CC..Hα-helixtrans-66.5-32.4-177.8172.90000112.6L611 L870 A880 W913 E914 T915 S921L611-V918 HydrophobicContact CB-CG2 4.47Å; L870-V918 HydrophobicContact CD1-CB 4.44Å; L870-V918 HydrophobicContact CD1-CG1 3.67Å; A880-V918 HydrophobicContact CB-CG1 3.62Å; A880-V918 WeakPolarHBondContact CB-O 3.26Å; W913-V918 HydrophobicContact CB-CG2 3.94Å; E914-V918 WeakPolarHBondContact O-CB 3.19Å; E914-V918 VanDerWaalsContact O-CG2 3.24Å; E914-V918 WeakPolarHBondContact O-CG2 3.48Å; E914-V918 PolarHBondContact O-N 3.45Å; T915-V918 PolarHBondContact O-N 3.15Å; V918-S921 CarbonylContact O-C 3.57Å
919H55.1Low69.3Low101 Ų10137.5 Ų37.547%0.46820%0.197SC..Hα-helixtrans-79-33.8174.889.2-78.2000113.3T915 E916 K917T915-H919 WeakPolarHBondContact O-CB 3.34Å; T915-H919 PolarHBondContact O-N 2.73Å; T915-H919 PolarHBondContact O-ND1 3.15Å; E916-H919 WeakPolarHBondContact CA-CE1 3.23Å; E916-H919 WeakPolarHBondContact CA-ND1 3.36Å; E916-H919 PolarHBondContact O-CE1 3.14Å; E916-H919 PolarHBondContact O-ND1 2.95Å; K917-H919 PolarHBondContact O-N 3.12Å
920T47.2Very low70Confident95 Ų9538.1 Ų38.158%0.58320%0.201SC*.Hα-helixtrans-84-48.5179.951.10000112.3E916 K917 S922E916-T920 WeakPolarHBondContact O-CB 3.46Å; E916-T920 PolarHBondContact O-N 3.22Å; E916-T920 VanDerWaalsContact O-N 3.11Å; E916-T920 PolarHBondContact O-OG1 3.31Å; K917-T920 PolarHBondContact O-N 2.72Å; K917-T920 PolarHBondContact O-OG1 2.9Å; T920-S922 PolarHBondContact O-N 2.51Å
921S48.1Very low70.4Confident30 Ų3039.7 Ų39.721%0.2121%0.21CC..SBendtrans-71.374.4158.676.40000107.2L611 K917 V918 A923L611-S921 WeakPolarHBondContact CD2-OG 3.5Å; K917-S921 VanDerWaalsContact O-CA 3.27Å; K917-S921 WeakPolarHBondContact O-CA 3.34Å; K917-S921 WeakPolarHBondContact O-CB 3.35Å; K917-S921 PolarHBondContact O-N 3.31Å; K917-S921 PolarHBondContact O-OG 3.13Å; V918-S921 CarbonylContact O-C 3.57Å; S921-A923 PolarHBondContact O-N 3.04Å
922S44.9Very low70.7Confident53 Ų5340.2 Ų40.237%0.37121%0.213SC..  trans-48.296140.655.50000105.7T920 V924T920-S922 PolarHBondContact O-N 2.51Å; S922-V924 WeakPolarHBondContact O-CG2 3.49Å; S922-V924 PolarHBondContact O-N 3.27Å; S922-V924 WeakPolarHBondContact OG-CG2 3.22Å
923A47.5Very low70.9Confident46 Ų4641.9 Ų41.938%0.3822%0.222SC..  trans-59.483.6150.900000103L611 S921 C925L611-A923 HydrophobicContact CD1-CB 3.71Å; L611-A923 HydrophobicContact CD2-CB 4.06Å; L611-A923 HydrophobicContact CG-CB 4.32Å; S921-A923 PolarHBondContact O-N 3.04Å; A923-C925 PolarHBondContact O-N 3.21Å; A923-C925 PolarHBondContact O-SG 2.87Å; A923-C925 VanDerWaalsContact O-SG 3.36Å
924V54.8Low71.1Confident14 Ų1443.9 Ų43.99%0.08523%0.231CC..  trans-65.397.7-174.5160.20000104.5S922 L926 D945 Q951S922-V924 WeakPolarHBondContact O-CG2 3.49Å; S922-V924 PolarHBondContact O-N 3.27Å; S922-V924 WeakPolarHBondContact OG-CG2 3.22Å; V924-L926 HydrophobicContact CG1-CD2 3.63Å; V924-L926 HydrophobicContact CG1-CG 4.31Å; V924-L926 PolarHBondContact O-N 3Å; V924-D945 HydrophobicContact CB-CB 4.45Å; V924-D945 HydrophobicContact CG1-CB 3.23Å; V924-Q951 HydrophobicContact CG1-CG 4.18Å; V924-Q951 VanDerWaalsContact CG1-NE2 3.26Å; V924-Q951 VanDerWaalsContact CG1-OE1 3.25Å
925C64.9Low71Confident14 Ų1443.4 Ų43.410%0.09523%0.23CC..  trans-64.6106.2170.4-65.30000105.5A923 N946 I1250A923-C925 PolarHBondContact O-N 3.21Å; A923-C925 PolarHBondContact O-SG 2.87Å; A923-C925 VanDerWaalsContact O-SG 3.36Å; C925-N946 VanDerWaalsContact CB-ND2 3.3Å; C925-N946 WeakPolarHBondContact CB-ND2 3.36Å; C925-N946 PolarHBondContact O-N 2.8Å; C925-N946 VanDerWaalsContact O-N 3.16Å; C925-I1250 VanDerWaalsContact CB-O 3.3Å; C925-I1250 WeakPolarHBondContact CB-O 3.36Å; C925-I1250 PolarHBondContact SG-O 3.43Å; C925-I1250 VanDerWaalsContact SG-O 3.36Å
926L77.4Confident70.8Confident5 Ų546.5 Ų46.53%0.02626%0.264CS..EExtended strand (participates in β ladder)trans-76.5141178.8-64172.6000108.6V924 A943 A944 Q951 I1247 G1251 L1253V924-L926 HydrophobicContact CG1-CD2 3.63Å; V924-L926 HydrophobicContact CG1-CG 4.31Å; V924-L926 PolarHBondContact O-N 3Å; L926-A943 HydrophobicContact CB-CB 4.08Å; L926-A943 HydrophobicContact CD1-CB 4.16Å; L926-A943 HydrophobicContact CD2-CB 4Å; L926-A943 HydrophobicContact CG-CB 4.3Å; L926-A944 CarbonylContact C-O 3.57Å; L926-A944 WeakPolarHBondContact CA-O 3.3Å; L926-Q951 HydrophobicContact CD2-CB 4.15Å; L926-Q951 HydrophobicContact CD2-CG 4.45Å; L926-I1247 HydrophobicContact CB-CD1 3.95Å; L926-I1247 HydrophobicContact CB-CG2 4.11Å; L926-I1247 HydrophobicContact CD1-CD1 4.07Å; L926-G1251 PolarHBondContact N-O 3.06Å; L926-G1251 WeakPolarHBondContact O-CA 3.12Å; L926-L1253 HydrophobicContact CD1-CB 4.05Å; L926-L1253 HydrophobicContact CD1-CD2 4.49Å
927K82.5Confident70.5Confident22 Ų2246.2 Ų46.210%0.09626%0.263CS..EExtended strand (participates in β ladder)trans-65.4146167.2-68.8-179.6176.2120.50109D929 A944 D945 N948K927-D929 PolarHBondContact O-N 2.82Å; K927-A944 WeakPolarHBondContact CB-O 2.85Å; K927-A944 HydrophobicContact CD-CB 4.17Å; K927-A944 PolarHBondContact N-O 2.98Å; K927-D945 WeakPolarHBondContact CE-O 3.45Å; K927-D945 PolarHBondContact NZ-O 2.94Å; K927-N948 PolarHBondContact NZ-OD1 3.12Å
928R81.3Confident71.2Confident104 Ų10449.4 Ų49.439%0.39228%0.279SS..EExtended strand (participates in β ladder)trans-58.4-18.4175.2-67.7-176.7-66.9173.8-2.4114.6S930 A1231 K1233 D1248R928-S930 PolarHBondContact O-N 3.28Å; R928-A1231 WeakPolarHBondContact CD-O 3.37Å; R928-A1231 PolarHBondContact NH1-O 2.97Å; R928-K1233 HydrophobicContact CB-CB 4.02Å; R928-K1233 HydrophobicContact CB-CD 4.25Å; R928-D1248 WeakPolarHBondContact CG-O 3.41Å
929D84.5Confident72.3Confident26 Ų2650 Ų5014%0.13928%0.282CS..EExtended strand (participates in β ladder)trans-78.3103.8174.8-76.5-57.1000109.4K927 R972 K1233K927-D929 PolarHBondContact O-N 2.82Å; D929-R972 VanDerWaalsContact CG-NH1 3.26Å; D929-R972 IonicContact OD1-NH1 2.71Å; D929-R972 PolarHBondContact OD1-NH1 3.32Å; D929-R972 IonicContact OD2-CZ 3.89Å; D929-R972 IonicContact OD2-NH1 3.18Å; D929-R972 PolarHBondContact OD2-NH1 3.3Å; D929-K1233 WeakPolarHBondContact OD1-CE 3.44Å; D929-K1233 IonicContact OD1-NZ 3.48Å; D929-K1233 PolarHBondContact OD1-NZ 3.2Å; D929-K1233 IonicContact OD2-NZ 3.1Å; D929-K1233 PolarHBondContact OD2-NZ 2.72Å; D929-K1233 VanDerWaalsContact OD2-NZ 3.08Å
930S88.9Confident73.9Confident12 Ų1246.9 Ų46.98%0.08427%0.268CS..EExtended strand (participates in β ladder)trans-137.8158.1-178.464.40000112.4R928 S942 H1236R928-S930 PolarHBondContact O-N 3.28Å; S930-S942 CarbonylContact C-O 3.53Å; S930-S942 WeakPolarHBondContact CA-O 3.39Å; S930-S942 WeakPolarHBondContact CB-O 3.27Å; S930-H1236 PolarHBondContact O-NE2 2.86Å; S930-H1236 VanDerWaalsContact O-NE2 3.15Å
931D90.2Very high75.8Confident35 Ų3542.4 Ų42.419%0.18724%0.241CC..EExtended strand (participates in β ladder)trans-131.2149.4169.1-164.726.4000110.1S942 T974 C975 M976 H1236D931-S942 PolarHBondContact N-O 2.85Å; D931-S942 PolarHBondContact O-N 3.15Å; D931-S942 PolarHBondContact O-OG 3.47Å; D931-T974 PolarHBondContact N-OG1 3.05Å; D931-C975 VanDerWaalsContact OD2-CA 3.29Å; D931-C975 WeakPolarHBondContact OD2-CA 3.18Å; D931-M976 HydrophobicContact CB-CE 4.23Å; D931-M976 WeakPolarHBondContact O-CE 3.42Å; D931-M976 PolarHBondContact OD2-N 3.05Å; D931-H1236 IonicContact OD1-CE1 2.76Å
932V89.8Confident77.8Confident15 Ų1541 Ų419%0.09123%0.231CC..EExtended strand (participates in β ladder)trans-133.6132.3-171.3-177.50000110.5F934 I939 I940 V941 H1236 V1245V932-F934 HydrophobicContact CB-CE2 4.38Å; V932-F934 HydrophobicContact CG1-CD1 4.47Å; V932-F934 HydrophobicContact CG1-CD2 4.28Å; V932-F934 HydrophobicContact CG1-CE1 4.02Å; V932-F934 HydrophobicContact CG1-CE2 3.82Å; V932-F934 HydrophobicContact CG1-CZ 3.67Å; V932-I939 HydrophobicContact CG1-CG2 4Å; V932-I940 WeakPolarHBondContact CA-O 3.16Å; V932-V941 HydrophobicContact CG1-CG2 4.38Å; V932-V941 HydrophobicContact CG2-CG1 4.22Å; V932-V941 HydrophobicContact CG2-CG2 4.2Å; V932-H1236 HydrophobicContact CB-CB 3.9Å; V932-H1236 HydrophobicContact CG1-CB 4.48Å; V932-H1236 HydrophobicContact CG2-CB 3.84Å; V932-H1236 VanDerWaalsContact CG2-CD2 3.41Å; V932-H1236 WeakPolarHBondContact CG2-CD2 3.33Å; V932-V1245 HydrophobicContact CG1-CB 4.38Å; V932-V1245 HydrophobicContact CG1-CG2 4.18Å; V932-V1245 HydrophobicContact CG2-CB 4.04Å; V932-V1245 HydrophobicContact CG2-CG1 3.73Å
933L87.7Confident79.8Confident36 Ų3638.5 Ų38.519%0.18821%0.214CC..EExtended strand (participates in β ladder)trans-110.3120.4174.2-173.770.6000109.8N935 I940 M976 K978L933-N935 WeakPolarHBondContact CD2-ND2 3.43Å; L933-I940 HydrophobicContact CB-CB 4.41Å; L933-I940 PolarHBondContact N-O 3.39Å; L933-I940 PolarHBondContact O-N 3.14Å; L933-M976 HydrophobicContact CB-CE 3.91Å; L933-K978 HydrophobicContact CD1-CB 4.29Å
934F86.3Confident81.6Confident44 Ų4436.4 Ų36.419%0.19320%0.196CC..EExtended strand (participates in β ladder)trans-97.5109.4173.4-61.1-78.7000110V932 I939 H1236 V1237 V1245V932-F934 HydrophobicContact CB-CE2 4.38Å; V932-F934 HydrophobicContact CG1-CD1 4.47Å; V932-F934 HydrophobicContact CG1-CD2 4.28Å; V932-F934 HydrophobicContact CG1-CE1 4.02Å; V932-F934 HydrophobicContact CG1-CE2 3.82Å; V932-F934 HydrophobicContact CG1-CZ 3.67Å; F934-I939 HydrophobicContact CD1-CG1 4.15Å; F934-I939 HydrophobicContact CD1-CG2 4.48Å; F934-I939 HydrophobicContact CE1-CG1 4.44Å; F934-I939 HydrophobicContact CE1-CG2 4.32Å; F934-H1236 HydrophobicContact CE2-CB 4.18Å; F934-H1236 HydrophobicContact CZ-CB 4.22Å; F934-V1237 WeakPolarHBondContact CE2-O 3.47Å; F934-V1245 HydrophobicContact CE1-CG2 4.18Å; F934-V1245 HydrophobicContact CZ-CG2 4.18Å
935N79.9Confident82.8Confident46 Ų4635.9 Ų35.925%0.24619%0.193CC..EExtended strand (participates in β ladder)trans-111.768.1177.1-80.8-22.3000110.3L933 E937 E938 K978L933-N935 WeakPolarHBondContact CD2-ND2 3.43Å; N935-E937 PolarHBondContact O-N 2.77Å; N935-E937 VanDerWaalsContact O-N 3.08Å; N935-E938 HydrophobicContact CB-CB 4.29Å; N935-E938 PolarHBondContact N-O 2.98Å; N935-E938 PolarHBondContact O-N 3.01Å; N935-K978 WeakPolarHBondContact OD1-CD 3.46Å; N935-K978 VanDerWaalsContact OD1-CE 3.23Å; N935-K978 WeakPolarHBondContact OD1-CE 3.29Å; N935-K978 PolarHBondContact OD1-NZ 2.79Å
936G74.5Confident83.1Confident77 Ų7739.3 Ų39.379%0.79421%0.21SC*.THydrogen-bonded Turntrans65.4-108.9-173.600000110.3
937E67.2Low82.8Confident136 Ų13641.5 Ų41.564%0.63623%0.226SC*.THydrogen-bonded Turntrans-84.6-18.8178.9-76.1-156.5162.700114.5N935 R956N935-E937 PolarHBondContact O-N 2.77Å; N935-E937 VanDerWaalsContact O-N 3.08Å; E937-R956 PolarHBondContact O-NE 3.46Å; E937-R956 IonicContact OE1-NH2 3.79Å; E937-R956 IonicContact OE2-CZ 2.78Å; E937-R956 IonicContact OE2-NH1 3.64Å; E937-R956 PolarHBondContact OE2-NH1 3.23Å; E937-R956 IonicContact OE2-NH2 3.66Å; E937-R956 PolarHBondContact OE2-NH2 3.18Å
938E79.7Confident82.7Confident125 Ų12542 Ų4258%0.58423%0.23SC*.EExtended strand (participates in β ladder)trans-88.5129.7177.7-69.9-171.5167.400111.1N935N935-E938 HydrophobicContact CB-CB 4.29Å; N935-E938 PolarHBondContact N-O 2.98Å; N935-E938 PolarHBondContact O-N 3.01Å
939I86Confident82.9Confident15 Ų1539.6 Ų39.68%0.07722%0.22CC..EExtended strand (participates in β ladder)trans-116.5125.6178-57163.6000106.7V932 F934 V941 G955 T1243 V1245 I1255V932-I939 HydrophobicContact CG1-CG2 4Å; F934-I939 HydrophobicContact CD1-CG1 4.15Å; F934-I939 HydrophobicContact CD1-CG2 4.48Å; F934-I939 HydrophobicContact CE1-CG1 4.44Å; F934-I939 HydrophobicContact CE1-CG2 4.32Å; I939-V941 HydrophobicContact CG2-CG2 4.18Å; I939-G955 PolarHBondContact O-N 2.96Å; I939-T1243 HydrophobicContact CD1-CG2 3.67Å; I939-V1245 HydrophobicContact CG2-CG2 4.14Å; I939-I1255 HydrophobicContact CD1-CG2 4.1Å
940I87.6Confident83Confident34 Ų3438.4 Ų38.417%0.17421%0.214CC..EExtended strand (participates in β ladder)trans-118.9127.1175.4-58.9174.8000107.7V932 L933 V952 R953 L961 M976V932-I940 WeakPolarHBondContact CA-O 3.16Å; L933-I940 HydrophobicContact CB-CB 4.41Å; L933-I940 PolarHBondContact N-O 3.39Å; L933-I940 PolarHBondContact O-N 3.14Å; I940-V952 HydrophobicContact CG2-CG1 3.42Å; I940-V952 VanDerWaalsContact CG2-CG1 3.42Å; I940-R953 WeakPolarHBondContact CA-O 3.46Å; I940-L961 HydrophobicContact CG1-CD1 4.45Å; I940-M976 HydrophobicContact CG2-SD 4.13Å; I940-M976 WeakPolarHBondContact O-CE 3.43Å
941V88.8Confident82.8Confident2 Ų237.9 Ų37.91%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-115.1127.6-179.1-177.10000108.9V932 I939 V952 R953 V1245 L1253 I1255V932-V941 HydrophobicContact CG1-CG2 4.38Å; V932-V941 HydrophobicContact CG2-CG1 4.22Å; V932-V941 HydrophobicContact CG2-CG2 4.2Å; I939-V941 HydrophobicContact CG2-CG2 4.18Å; V941-V952 CarbonylContact O-C 3.56Å; V941-V952 VanDerWaalsContact O-CA 3.27Å; V941-V952 WeakPolarHBondContact O-CA 3.37Å; V941-R953 PolarHBondContact N-O 2.86Å; V941-R953 PolarHBondContact O-N 2.59Å; V941-V1245 HydrophobicContact CG2-CG1 3.9Å; V941-L1253 HydrophobicContact CB-CD2 4.36Å; V941-L1253 HydrophobicContact CG1-CD1 3.9Å; V941-L1253 HydrophobicContact CG1-CD2 4.31Å; V941-L1253 HydrophobicContact CG2-CD1 4.38Å; V941-L1253 HydrophobicContact CG2-CD2 4.33Å; V941-I1255 HydrophobicContact CG2-CD1 4.34Å
942S89.3Confident82.6Confident0 Ų036.4 Ų36.40%020%0.202CC..EExtended strand (participates in β ladder)trans-110.6126171.469.60000110.5S930 D931 Q951S930-S942 CarbonylContact C-O 3.53Å; S930-S942 WeakPolarHBondContact CA-O 3.39Å; S930-S942 WeakPolarHBondContact CB-O 3.27Å; D931-S942 PolarHBondContact N-O 2.85Å; D931-S942 PolarHBondContact O-N 3.15Å; D931-S942 PolarHBondContact O-OG 3.47Å; S942-Q951 WeakPolarHBondContact CA-O 3.37Å
943A87.5Confident82.3Confident1 Ų137.5 Ų37.51%0.00821%0.205CC..EExtended strand (participates in β ladder)trans-152.4148.1177.300000110.2L926 Q951 I1247L926-A943 HydrophobicContact CB-CB 4.08Å; L926-A943 HydrophobicContact CD1-CB 4.16Å; L926-A943 HydrophobicContact CD2-CB 4Å; L926-A943 HydrophobicContact CG-CB 4.3Å; A943-Q951 PolarHBondContact N-O 3.01Å; A943-Q951 WeakPolarHBondContact O-CA 3.49Å; A943-Q951 PolarHBondContact O-N 2.9Å; A943-Q951 VanDerWaalsContact O-O 3.05Å; A943-I1247 HydrophobicContact CB-CD1 3.7Å
944A85.9Confident82Confident2 Ų236.2 Ų36.22%0.01720%0.2CC..EExtended strand (participates in β ladder)trans-83.4147.6174.900000110.8L926 K927 R949 I971L926-A944 CarbonylContact C-O 3.57Å; L926-A944 WeakPolarHBondContact CA-O 3.3Å; K927-A944 WeakPolarHBondContact CB-O 2.85Å; K927-A944 HydrophobicContact CD-CB 4.17Å; K927-A944 PolarHBondContact N-O 2.98Å; A944-R949 CarbonylContact C-O 3.52Å; A944-R949 VanDerWaalsContact CA-O 3.28Å; A944-R949 WeakPolarHBondContact CA-O 3.35Å; A944-I971 HydrophobicContact CB-CB 3.64Å; A944-I971 HydrophobicContact CB-CD1 3.72Å; A944-I971 HydrophobicContact CB-CG1 4.23Å; A944-I971 HydrophobicContact CB-CG2 3.93Å
945D78.3Confident81.3Confident2 Ų234.1 Ų34.11%0.01119%0.191CC..EExtended strand (participates in β ladder)trans-88.2174.2172.575.46.3000112.7V924 K927 C947 N948 R949V924-D945 HydrophobicContact CB-CB 4.45Å; V924-D945 HydrophobicContact CG1-CB 3.23Å; K927-D945 WeakPolarHBondContact CE-O 3.45Å; K927-D945 PolarHBondContact NZ-O 2.94Å; D945-C947 PolarHBondContact O-N 2.92Å; D945-C947 VanDerWaalsContact OD1-CA 3.27Å; D945-C947 WeakPolarHBondContact OD1-CA 3.19Å; D945-C947 WeakPolarHBondContact OD1-CB 3.44Å; D945-C947 PolarHBondContact OD1-N 2.86Å; D945-N948 PolarHBondContact O-N 2.89Å; D945-N948 PolarHBondContact OD1-N 2.78Å; D945-R949 PolarHBondContact N-O 3.07Å; D945-R949 WeakPolarHBondContact OD1-CB 3.45Å; D945-R949 PolarHBondContact OD1-N 2.76Å; D945-R949 IonicContact OD1-NE 3.41Å; D945-R949 IonicContact OD2-CZ 3.5Å; D945-R949 VanDerWaalsContact OD2-CZ 3.25Å; D945-R949 IonicContact OD2-NE 2.75Å; D945-R949 PolarHBondContact OD2-NE 3.38Å; D945-R949 IonicContact OD2-NH2 3.33Å; D945-R949 PolarHBondContact OD2-NH2 2.79Å
946N72.3Confident80.8Confident87 Ų8738.1 Ų38.147%0.46520%0.203SC..THydrogen-bonded Turntrans-61.8-27.5175.6-78.2-10.1000113.2C925 N948C925-N946 VanDerWaalsContact CB-ND2 3.3Å; C925-N946 WeakPolarHBondContact CB-ND2 3.36Å; C925-N946 PolarHBondContact O-N 2.8Å; C925-N946 VanDerWaalsContact O-N 3.16Å; N946-N948 PolarHBondContact O-N 2.82Å
947C71.4Confident80.3Confident51 Ų5138.4 Ų38.435%0.34519%0.19SC..THydrogen-bonded Turntrans-80.68.5173.4-55.20000113.4D945 R949 E966D945-C947 PolarHBondContact O-N 2.92Å; D945-C947 VanDerWaalsContact OD1-CA 3.27Å; D945-C947 WeakPolarHBondContact OD1-CA 3.19Å; D945-C947 WeakPolarHBondContact OD1-CB 3.44Å; D945-C947 PolarHBondContact OD1-N 2.86Å; C947-R949 VanDerWaalsContact C-N 3.28Å; C947-R949 HydrophobicContact CB-CG 4.5Å; C947-R949 PolarHBondContact O-N 2.65Å; C947-E966 WeakPolarHBondContact O-CG 3.47Å
948N80.1Confident80.3Confident33 Ų3332.2 Ų32.218%0.17616%0.162CC..SBendtrans64.324-177.9-51.3-43000115.1K927 D945 N946 L967 R970 I971K927-N948 PolarHBondContact NZ-OD1 3.12Å; D945-N948 PolarHBondContact O-N 2.89Å; D945-N948 PolarHBondContact OD1-N 2.78Å; N946-N948 PolarHBondContact O-N 2.82Å; N948-L967 WeakPolarHBondContact CB-O 3.49Å; N948-R970 WeakPolarHBondContact OD1-CA 3.44Å; N948-I971 WeakPolarHBondContact O-CD1 3.31Å
949R84.3Confident79.9Confident53 Ų5328.8 Ų28.820%0.215%0.152CC..  trans-89.5139.3168.5-58.3177-62.1-1682.5109.6A944 D945 C947 Q963 E966A944-R949 CarbonylContact C-O 3.52Å; A944-R949 VanDerWaalsContact CA-O 3.28Å; A944-R949 WeakPolarHBondContact CA-O 3.35Å; D945-R949 PolarHBondContact N-O 3.07Å; D945-R949 WeakPolarHBondContact OD1-CB 3.45Å; D945-R949 PolarHBondContact OD1-N 2.76Å; D945-R949 IonicContact OD1-NE 3.41Å; D945-R949 IonicContact OD2-CZ 3.5Å; D945-R949 VanDerWaalsContact OD2-CZ 3.25Å; D945-R949 IonicContact OD2-NE 2.75Å; D945-R949 PolarHBondContact OD2-NE 3.38Å; D945-R949 IonicContact OD2-NH2 3.33Å; D945-R949 PolarHBondContact OD2-NH2 2.79Å; C947-R949 VanDerWaalsContact C-N 3.28Å; C947-R949 HydrophobicContact CB-CG 4.5Å; C947-R949 PolarHBondContact O-N 2.65Å; R949-Q963 VanDerWaalsContact NE-NE2 3.19Å; R949-Q963 VanDerWaalsContact NH1-NE2 3.12Å; R949-E966 HydrophobicContact CG-CB 4.2Å
950L86.4Confident79.4Confident0 Ų031.2 Ų31.20%017%0.167CC..EExtended strand (participates in β ladder)trans-74.9129.6168.5-179.867.8000109.3V952 F962 Q963 S964 I971 T974 V983 L985 L995L950-V952 HydrophobicContact CD2-CG2 4.18Å; L950-V952 HydrophobicContact CG-CG2 4.33Å; L950-F962 HydrophobicContact CD2-CE1 4.22Å; L950-Q963 CarbonylContact O-C 3.52Å; L950-Q963 WeakPolarHBondContact O-CA 3.31Å; L950-S964 PolarHBondContact N-OG 2.94Å; L950-S964 PolarHBondContact O-N 2.86Å; L950-I971 HydrophobicContact CB-CD1 4.23Å; L950-T974 HydrophobicContact CD1-CG2 4Å; L950-V983 HydrophobicContact CD2-CB 4.4Å; L950-V983 HydrophobicContact CD2-CG1 3.5Å; L950-V983 HydrophobicContact CD2-CG2 4.05Å; L950-L985 HydrophobicContact CB-CD1 4.15Å; L950-L985 HydrophobicContact CB-CD2 4.27Å; L950-L985 HydrophobicContact CD1-CD2 3.54Å; L950-L985 HydrophobicContact CD2-CD1 4.1Å; L950-L985 HydrophobicContact CD2-CD2 3.73Å; L950-L985 HydrophobicContact CD2-CG 4.29Å; L950-L985 HydrophobicContact CG-CD2 4.02Å; L950-L995 HydrophobicContact CD2-CD1 4.05Å
951Q85.8Confident79Confident2 Ų233.9 Ų33.91%0.00918%0.181CC..EExtended strand (participates in β ladder)trans-113.2137.7166.4-62.7-154.8-10.500111.2V924 L926 S942 A943 Q963V924-Q951 HydrophobicContact CG1-CG 4.18Å; V924-Q951 VanDerWaalsContact CG1-NE2 3.26Å; V924-Q951 VanDerWaalsContact CG1-OE1 3.25Å; L926-Q951 HydrophobicContact CD2-CB 4.15Å; L926-Q951 HydrophobicContact CD2-CG 4.45Å; S942-Q951 WeakPolarHBondContact CA-O 3.37Å; A943-Q951 PolarHBondContact N-O 3.01Å; A943-Q951 WeakPolarHBondContact O-CA 3.49Å; A943-Q951 PolarHBondContact O-N 2.9Å; A943-Q951 VanDerWaalsContact O-O 3.05Å; Q951-Q963 HydrophobicContact CG-CG 4.37Å
952V85.6Confident78.6Confident4 Ų435.1 Ų35.12%0.02419%0.186CC..EExtended strand (participates in β ladder)trans-119.8119.8171.7-179.10000107.3I940 V941 L950 L961 F962 L997I940-V952 HydrophobicContact CG2-CG1 3.42Å; I940-V952 VanDerWaalsContact CG2-CG1 3.42Å; V941-V952 CarbonylContact O-C 3.56Å; V941-V952 VanDerWaalsContact O-CA 3.27Å; V941-V952 WeakPolarHBondContact O-CA 3.37Å; L950-V952 HydrophobicContact CD2-CG2 4.18Å; L950-V952 HydrophobicContact CG-CG2 4.33Å; V952-L961 WeakPolarHBondContact O-CA 3.29Å; V952-L961 WeakPolarHBondContact O-CB 3.21Å; V952-L961 PolarHBondContact O-N 3.01Å; V952-F962 HydrophobicContact CB-CB 4.17Å; V952-F962 HydrophobicContact CB-CD1 4.43Å; V952-F962 HydrophobicContact CG2-CD1 3.96Å; V952-F962 PolarHBondContact N-O 2.94Å; V952-F962 PolarHBondContact O-N 2.83Å; V952-F962 VanDerWaalsContact O-N 3.14Å; V952-L997 HydrophobicContact CB-CD2 4.38Å; V952-L997 HydrophobicContact CG1-CD2 4.27Å; V952-L997 HydrophobicContact CG2-CD2 3.69Å
953R84.4Confident78.3Confident37 Ų3738.8 Ų38.814%0.1420%0.204CC..EExtended strand (participates in β ladder)trans-118.6143.5-172.5-65.5-173.9174.7-164.5-0.7111.3I940 V941 S959 V960I940-R953 WeakPolarHBondContact CA-O 3.46Å; V941-R953 PolarHBondContact N-O 2.86Å; V941-R953 PolarHBondContact O-N 2.59Å; R953-S959 WeakPolarHBondContact CA-O 3.46Å; R953-V960 HydrophobicContact CG-CG2 4.27Å
954G80.9Confident78Confident9 Ų939.5 Ų39.59%0.09321%0.209CC..EExtended strand (participates in β ladder)trans-80.1132.7169.300000109.8G958 S959G954-G958 WeakPolarHBondContact O-CA 3.41Å; G954-G958 PolarHBondContact O-N 2.87Å; G954-S959 PolarHBondContact N-O 3.17Å
955G70.7Confident77.8Confident1 Ų147.6 Ų47.61%0.0125%0.246CC..THydrogen-bonded Turntrans-79.7-18.5-170.300000115.7I939 I1255I939-G955 PolarHBondContact O-N 2.96Å; G955-I1255 VanDerWaalsContact O-CD1 3.23Å; G955-I1255 WeakPolarHBondContact O-CD1 3.33Å
956R69.5Low77.8Confident130 Ų13052.7 Ų52.749%0.49127%0.27SS..THydrogen-bonded Turntrans-79.5-42.8175.8-78.3-177.8169.9-176.4-13.2112.9E937E937-R956 PolarHBondContact O-NE 3.46Å; E937-R956 IonicContact OE1-NH2 3.79Å; E937-R956 IonicContact OE2-CZ 2.78Å; E937-R956 IonicContact OE2-NH1 3.64Å; E937-R956 PolarHBondContact OE2-NH1 3.23Å; E937-R956 IonicContact OE2-NH2 3.66Å; E937-R956 PolarHBondContact OE2-NH2 3.18Å
957T64.8Low78.2Confident83 Ų8349.7 Ų49.751%0.50925%0.254SS..THydrogen-bonded Turntrans-97.2-16.3-175.649.10000112.3S607 S959S607-T957 WeakPolarHBondContact CB-O 3.29Å; T957-S959 PolarHBondContact O-N 3.11Å; T957-S959 VanDerWaalsContact O-N 3.08Å; T957-S959 PolarHBondContact OG1-N 3.25Å; T957-S959 PolarHBondContact OG1-OG 2.97Å
958G66.4Low78.5Confident5 Ų553 Ų535%0.05228%0.275CS..  trans65.70.7-16800000113.7G954G954-G958 WeakPolarHBondContact O-CA 3.41Å; G954-G958 PolarHBondContact O-N 2.87Å
959S71.3Confident78.5Confident53 Ų5353 Ų5337%0.37128%0.277SS..  trans-70.1142.2-174.1620000111.2R953 G954 T957 L961R953-S959 WeakPolarHBondContact CA-O 3.46Å; G954-S959 PolarHBondContact N-O 3.17Å; T957-S959 PolarHBondContact O-N 3.11Å; T957-S959 VanDerWaalsContact O-N 3.08Å; T957-S959 PolarHBondContact OG1-N 3.25Å; T957-S959 PolarHBondContact OG1-OG 2.97Å; S959-L961 PolarHBondContact O-N 3.44Å
960V76.4Confident78.4Confident66 Ų6656.1 Ų56.140%0.429%0.288SS..EExtended strand (participates in β ladder)trans-69.1112.6173.3-176.70000108.7R953 F962 Q963R953-V960 HydrophobicContact CG-CG2 4.27Å; V960-F962 WeakPolarHBondContact CG1-O 3.16Å; V960-Q963 HydrophobicContact CG1-CB 4Å
961L78Confident78.5Confident90 Ų9056.2 Ų56.247%0.47129%0.289SS..EExtended strand (participates in β ladder)trans-79.6-36173.9-61.8174.2000110.8I940 V952 S959I940-L961 HydrophobicContact CG1-CD1 4.45Å; V952-L961 WeakPolarHBondContact O-CA 3.29Å; V952-L961 WeakPolarHBondContact O-CB 3.21Å; V952-L961 PolarHBondContact O-N 3.01Å; S959-L961 PolarHBondContact O-N 3.44Å
962F80.4Confident78.5Confident28 Ų2858.8 Ų58.812%0.12330%0.299CS..EExtended strand (participates in β ladder)trans-152.1142.9179.4166.4-108.2000110.9L950 V952 V960 L995 L997L950-F962 HydrophobicContact CD2-CE1 4.22Å; V952-F962 HydrophobicContact CB-CB 4.17Å; V952-F962 HydrophobicContact CB-CD1 4.43Å; V952-F962 HydrophobicContact CG2-CD1 3.96Å; V952-F962 PolarHBondContact N-O 2.94Å; V952-F962 PolarHBondContact O-N 2.83Å; V952-F962 VanDerWaalsContact O-N 3.14Å; V960-F962 WeakPolarHBondContact CG1-O 3.16Å; F962-L995 HydrophobicContact CE1-CD1 4.19Å; F962-L995 HydrophobicContact CZ-CD1 4.43Å; F962-L997 HydrophobicContact CD1-CD2 4.28Å
963Q83.1Confident78.6Confident77 Ų7758.9 Ų58.936%0.3630%0.299SS..EExtended strand (participates in β ladder)trans-135.7129.9173.5-179.8173.4-2500110R949 L950 Q951 V960R949-Q963 VanDerWaalsContact NE-NE2 3.19Å; R949-Q963 VanDerWaalsContact NH1-NE2 3.12Å; L950-Q963 CarbonylContact O-C 3.52Å; L950-Q963 WeakPolarHBondContact O-CA 3.31Å; Q951-Q963 HydrophobicContact CG-CG 4.37Å; V960-Q963 HydrophobicContact CG1-CB 4Å
964S82.4Confident78.9Confident17 Ų1757.8 Ų57.812%0.11930%0.297CS..  trans-82.4167.3176.479.40000112.6L950L950-S964 PolarHBondContact N-OG 2.94Å; L950-S964 PolarHBondContact O-N 2.86Å
965E80.6Confident79.3Confident172 Ų17257.9 Ų57.980%0.80430%0.296SS*.  trans-62.2159.3165.6-63.8179.517900111.8L967E965-L967 PolarHBondContact O-N 3.03Å
966E79.6Confident80.2Confident109 Ų10958.6 Ų58.651%0.50930%0.299SS..  trans-65.2115.6176.3-171.6175.6157.900109.6K877 C947 R949K877-E966 IonicContact NZ-OE1 2.71Å; K877-E966 PolarHBondContact NZ-OE1 3.49Å; K877-E966 IonicContact NZ-OE2 2.75Å; C947-E966 WeakPolarHBondContact O-CG 3.47Å; R949-E966 HydrophobicContact CG-CB 4.2Å
967L80.6Confident81Confident24 Ų2453 Ų5313%0.12628%0.28CS..  trans-84.8138.3173.6-68.1174.6000109.7N948 E965 C969 I971 L985N948-L967 WeakPolarHBondContact CB-O 3.49Å; E965-L967 PolarHBondContact O-N 3.03Å; L967-C969 PolarHBondContact O-N 3.09Å; L967-C969 VanDerWaalsContact O-N 3.14Å; L967-I971 HydrophobicContact CD1-CD1 3.98Å; L967-I971 HydrophobicContact CD1-CG1 3.95Å; L967-L985 HydrophobicContact CD1-CD1 4.42Å
968P76.8Confident81.6Confident120 Ų12054.5 Ų54.578%0.77928%0.28SS*.SBendtrans-67.6-14.7179.628.3-35.8000113
969C80.4Confident82.3Confident33 Ų3360.2 Ų60.222%0.22331%0.309CS..SBendtrans-122.2147.7-176-59.80000110.9L967 I971 N989L967-C969 PolarHBondContact O-N 3.09Å; L967-C969 VanDerWaalsContact O-N 3.14Å; C969-I971 PolarHBondContact O-N 2.87Å; C969-N989 HydrophobicContact CB-CB 4.44Å; C969-N989 PolarHBondContact SG-ND2 3.46Å
970R83.3Confident82.6Confident118 Ų11859.8 Ų59.845%0.44531%0.305SS..  trans-64.6127.7-178.5-173.8-178.6175.8169.44.6111.5N948 R972 Q987 E988N948-R970 WeakPolarHBondContact OD1-CA 3.44Å; R970-R972 PolarHBondContact O-N 2.83Å; R970-Q987 CarbonylContact O-C 3.59Å; R970-Q987 WeakPolarHBondContact O-CA 3.39Å; R970-E988 HydrophobicContact CB-CB 4.2Å; R970-E988 WeakPolarHBondContact CB-OE2 3.4Å; R970-E988 PolarHBondContact O-N 3.07Å
971I87.9Confident83Confident2 Ų259.5 Ų59.51%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-73122.8166.7-55.6169.4000108.3A944 N948 L950 L967 C969 T974 L985A944-I971 HydrophobicContact CB-CB 3.64Å; A944-I971 HydrophobicContact CB-CD1 3.72Å; A944-I971 HydrophobicContact CB-CG1 4.23Å; A944-I971 HydrophobicContact CB-CG2 3.93Å; N948-I971 WeakPolarHBondContact O-CD1 3.31Å; L950-I971 HydrophobicContact CB-CD1 4.23Å; L967-I971 HydrophobicContact CD1-CD1 3.98Å; L967-I971 HydrophobicContact CD1-CG1 3.95Å; C969-I971 PolarHBondContact O-N 2.87Å; I971-T974 HydrophobicContact CG2-CG2 4.01Å; I971-L985 HydrophobicContact CD1-CD1 4.38Å; I971-L985 HydrophobicContact CG2-CB 4.46Å; I971-L985 HydrophobicContact CG2-CD2 4.17Å
972R86Confident83.5Confident56 Ų5655.2 Ų55.221%0.21128%0.283CS..EExtended strand (participates in β ladder)trans-107.3-28.5-174.5-176.559-174.686.1-0.6114D929 R970 G986 V1013D929-R972 VanDerWaalsContact CG-NH1 3.26Å; D929-R972 IonicContact OD1-NH1 2.71Å; D929-R972 PolarHBondContact OD1-NH1 3.32Å; D929-R972 IonicContact OD2-CZ 3.89Å; D929-R972 IonicContact OD2-NH1 3.18Å; D929-R972 PolarHBondContact OD2-NH1 3.3Å; R970-R972 PolarHBondContact O-N 2.83Å; R972-G986 PolarHBondContact N-O 2.84Å; R972-V1013 WeakPolarHBondContact CB-O 3.31Å; R972-V1013 WeakPolarHBondContact CG-O 3.45Å
973S87.4Confident83.9Confident6 Ų653.9 Ų53.94%0.04228%0.277CS..EExtended strand (participates in β ladder)trans-146.2144.9176.959.40000111.1G986 C1016S973-G986 PolarHBondContact N-O 3.4Å; S973-G986 PolarHBondContact O-N 3.22Å; S973-C1016 PolarHBondContact OG-SG 3.26Å
974T90.7Very high84.3Confident14 Ų1450.2 Ų50.29%0.08626%0.26CS..EExtended strand (participates in β ladder)trans-124.1149.2174.361.10000109.5D931 L950 I971 A984 L985D931-T974 PolarHBondContact N-OG1 3.05Å; L950-T974 HydrophobicContact CD1-CG2 4Å; I971-T974 HydrophobicContact CG2-CG2 4.01Å; T974-A984 CarbonylContact C-O 3.52Å; T974-A984 WeakPolarHBondContact CA-O 3.17Å; T974-L985 HydrophobicContact CG2-CD2 3.78Å
975C89.8Confident84.7Confident11 Ų1149.4 Ų49.47%0.07425%0.254CS..EExtended strand (participates in β ladder)trans-150.3132.6172.2178.50000110.2D931 V983 A984 C1016 F1018D931-C975 VanDerWaalsContact OD2-CA 3.29Å; D931-C975 WeakPolarHBondContact OD2-CA 3.18Å; C975-V983 CarbonylContact O-C 3.54Å; C975-V983 WeakPolarHBondContact O-CA 3.45Å; C975-A984 PolarHBondContact N-O 3.49Å; C975-A984 PolarHBondContact O-N 2.89Å; C975-C1016 HydrophobicContact CB-CB 4.11Å; C975-C1016 WeakPolarHBondContact CB-O 3.45Å; C975-F1018 HydrophobicContact CB-CD2 4.45Å; C975-F1018 PolarHBondContact SG-N 3.3Å
976M89.3Confident85.2Confident17 Ų1741.2 Ų41.28%0.08422%0.216CC..EExtended strand (participates in β ladder)trans-104.4148.8177.8-69.8-175.8-66.200111.5D931 L933 I940 A982 V983 L997D931-M976 HydrophobicContact CB-CE 4.23Å; D931-M976 WeakPolarHBondContact O-CE 3.42Å; D931-M976 PolarHBondContact OD2-N 3.05Å; L933-M976 HydrophobicContact CB-CE 3.91Å; I940-M976 HydrophobicContact CG2-SD 4.13Å; I940-M976 WeakPolarHBondContact O-CE 3.43Å; M976-A982 CarbonylContact C-O 3.39Å; M976-A982 WeakPolarHBondContact CA-O 3.29Å; M976-V983 HydrophobicContact CG-CB 4.18Å; M976-V983 HydrophobicContact CG-CG2 3.97Å; M976-L997 HydrophobicContact CG-CD1 4.23Å; M976-L997 HydrophobicContact SD-CD1 4.04Å
977C85.8Confident85.7Confident12 Ų1236.2 Ų36.28%0.08119%0.193CC..EExtended strand (participates in β ladder)trans-122.5140.5171.51770000109.1N979 P980 S981 A982 F1018C977-N979 VanDerWaalsContact SG-C 3.54Å; C977-N979 PolarHBondContact SG-O 3.12Å; C977-P980 CarbonylContact C-O 3.59Å; C977-P980 WeakPolarHBondContact CB-O 3.45Å; C977-P980 PolarHBondContact SG-O 2.91Å; C977-P980 VanDerWaalsContact SG-O 3.34Å; C977-S981 WeakPolarHBondContact O-CA 3.41Å; C977-A982 PolarHBondContact N-O 3.14Å; C977-A982 PolarHBondContact O-N 2.6Å; C977-F1018 HydrophobicContact CB-CB 4.05Å; C977-F1018 HydrophobicContact CB-CD1 4.15Å; C977-F1018 HydrophobicContact CB-CD2 3.54Å; C977-F1018 HydrophobicContact CB-CE1 4.5Å; C977-F1018 HydrophobicContact CB-CE2 3.93Å; C977-F1018 HydrophobicContact CB-CG 3.66Å; C977-F1018 HydrophobicContact CB-CZ 4.39Å
978K78.3Confident86.1Confident115 Ų11539.9 Ų39.950%0.521%0.209SC..THydrogen-bonded Turntrans-77.6-44.3177.6-173.9168.8179160.10111.9L933 N935 P980 S981L933-K978 HydrophobicContact CD1-CB 4.29Å; N935-K978 WeakPolarHBondContact OD1-CD 3.46Å; N935-K978 VanDerWaalsContact OD1-CE 3.23Å; N935-K978 WeakPolarHBondContact OD1-CE 3.29Å; N935-K978 PolarHBondContact OD1-NZ 2.79Å; K978-P980 CarbonylContact C-O 3.55Å; K978-P980 CarbonylContact O-C 3.55Å; K978-S981 PolarHBondContact O-N 3.38Å; K978-S981 VanDerWaalsContact O-N 3.15Å
979N80.1Confident86.6Confident125 Ų12537.1 Ų37.167%0.66819%0.188SC*.THydrogen-bonded Turntrans-134.199.4-175.4-75.6-18.2000110.4C977 G1022C977-N979 VanDerWaalsContact SG-C 3.54Å; C977-N979 PolarHBondContact SG-O 3.12Å; N979-G1022 WeakPolarHBondContact O-CA 3.46Å
980P77.1Confident87Confident43 Ų4335.5 Ų35.528%0.27918%0.177SC..THydrogen-bonded Turncis-74.8155.20.631.1-32.6000112.3C977 K978 A982 W1039C977-P980 CarbonylContact C-O 3.59Å; C977-P980 WeakPolarHBondContact CB-O 3.45Å; C977-P980 PolarHBondContact SG-O 2.91Å; C977-P980 VanDerWaalsContact SG-O 3.34Å; K978-P980 CarbonylContact C-O 3.55Å; K978-P980 CarbonylContact O-C 3.55Å; P980-A982 PolarHBondContact O-N 2.89Å; P980-W1039 HydrophobicContact CG-CH2 3.94Å; P980-W1039 HydrophobicContact CG-CZ2 3.56Å
981S84.8Confident87.4Confident60 Ų6031.9 Ų31.942%0.4217%0.167SC..THydrogen-bonded Turntrans-66.591.8174.1-177.10000109.7C977 K978 L997C977-S981 WeakPolarHBondContact O-CA 3.41Å; K978-S981 PolarHBondContact O-N 3.38Å; K978-S981 VanDerWaalsContact O-N 3.15Å; S981-L997 PolarHBondContact O-N 3.33Å; S981-L997 WeakPolarHBondContact OG-CB 3.42Å; S981-L997 PolarHBondContact OG-O 3.22Å; S981-L997 VanDerWaalsContact OG-O 3.08Å
982A88.2Confident87.5Confident0 Ų031.8 Ų31.80%017%0.166CC..EExtended strand (participates in β ladder)trans-145.2155.4-173.500000111.1M976 C977 P980 V994 L995 L1003M976-A982 CarbonylContact C-O 3.39Å; M976-A982 WeakPolarHBondContact CA-O 3.29Å; C977-A982 PolarHBondContact N-O 3.14Å; C977-A982 PolarHBondContact O-N 2.6Å; P980-A982 PolarHBondContact O-N 2.89Å; A982-V994 HydrophobicContact CB-CG1 4.06Å; A982-L995 CarbonylContact C-O 3.37Å; A982-L995 WeakPolarHBondContact CA-O 3.2Å; A982-L995 WeakPolarHBondContact CB-O 3.43Å; A982-L1003 HydrophobicContact CB-CD1 4.26Å
983V89.9Confident87.8Confident0 Ų030.8 Ų30.80%016%0.164CC..EExtended strand (participates in β ladder)trans-125.4129.5175.761.70000110L950 C975 M976 L985 V994 L995 L997L950-V983 HydrophobicContact CD2-CB 4.4Å; L950-V983 HydrophobicContact CD2-CG1 3.5Å; L950-V983 HydrophobicContact CD2-CG2 4.05Å; C975-V983 CarbonylContact O-C 3.54Å; C975-V983 WeakPolarHBondContact O-CA 3.45Å; M976-V983 HydrophobicContact CG-CB 4.18Å; M976-V983 HydrophobicContact CG-CG2 3.97Å; V983-L985 HydrophobicContact CG2-CD2 4.26Å; V983-V994 CarbonylContact O-C 3.53Å; V983-V994 WeakPolarHBondContact O-CA 3.43Å; V983-L995 HydrophobicContact CG1-CB 3.83Å; V983-L995 PolarHBondContact N-O 3.04Å; V983-L995 PolarHBondContact O-N 3.45Å; V983-L997 HydrophobicContact CB-CD1 4.1Å; V983-L997 HydrophobicContact CB-CD2 4.38Å; V983-L997 HydrophobicContact CB-CG 4.24Å; V983-L997 HydrophobicContact CG1-CD1 4.43Å; V983-L997 HydrophobicContact CG1-CD2 3.82Å; V983-L997 HydrophobicContact CG1-CG 4.07Å
984A90.8Very high87.9Confident0 Ų030.5 Ų30.50%016%0.162CC..EExtended strand (participates in β ladder)trans-98.4136.8173.600000110.3T974 C975 Q993 V994 F1018 L1025T974-A984 CarbonylContact C-O 3.52Å; T974-A984 WeakPolarHBondContact CA-O 3.17Å; C975-A984 PolarHBondContact N-O 3.49Å; C975-A984 PolarHBondContact O-N 2.89Å; A984-Q993 CarbonylContact C-O 3.57Å; A984-Q993 VanDerWaalsContact CA-O 3.3Å; A984-Q993 WeakPolarHBondContact CA-O 3.44Å; A984-V994 HydrophobicContact CB-CG2 4.34Å; A984-F1018 HydrophobicContact CB-CE2 3.58Å; A984-F1018 HydrophobicContact CB-CZ 3.78Å; A984-L1025 HydrophobicContact CB-CD1 3.85Å; A984-L1025 HydrophobicContact CB-CD2 3.87Å
985L91.1Very high87.9Confident0 Ų030.3 Ų30.30%016%0.16CC..EExtended strand (participates in β ladder)trans-120.8118.2-179-56176.3000109.4L950 L967 I971 T974 V983 V992 Q993 L995L950-L985 HydrophobicContact CB-CD1 4.15Å; L950-L985 HydrophobicContact CB-CD2 4.27Å; L950-L985 HydrophobicContact CD1-CD2 3.54Å; L950-L985 HydrophobicContact CD2-CD1 4.1Å; L950-L985 HydrophobicContact CD2-CD2 3.73Å; L950-L985 HydrophobicContact CD2-CG 4.29Å; L950-L985 HydrophobicContact CG-CD2 4.02Å; L967-L985 HydrophobicContact CD1-CD1 4.42Å; I971-L985 HydrophobicContact CD1-CD1 4.38Å; I971-L985 HydrophobicContact CG2-CB 4.46Å; I971-L985 HydrophobicContact CG2-CD2 4.17Å; T974-L985 HydrophobicContact CG2-CD2 3.78Å; V983-L985 HydrophobicContact CG2-CD2 4.26Å; L985-V992 CarbonylContact O-C 3.57Å; L985-V992 WeakPolarHBondContact O-CA 3.3Å; L985-Q993 PolarHBondContact N-O 3.48Å; L985-Q993 PolarHBondContact O-N 2.83Å; L985-L995 HydrophobicContact CD1-CD1 3.8Å; L985-L995 HydrophobicContact CD1-CG 4.37Å
986G91.1Very high87.7Confident0 Ų030.5 Ų30.50%016%0.163CC..EExtended strand (participates in β ladder)trans-91128.416900000110.6R972 S973R972-G986 PolarHBondContact N-O 2.84Å; S973-G986 PolarHBondContact N-O 3.4Å; S973-G986 PolarHBondContact O-N 3.22Å
987Q91.4Very high87.3Confident4 Ų430.9 Ų30.92%0.01917%0.165CC..EExtended strand (participates in β ladder)trans-106.1160.9-177.4-61.5-179.923.700112.3R970 N989 G990 N991 V1013R970-Q987 CarbonylContact O-C 3.59Å; R970-Q987 WeakPolarHBondContact O-CA 3.39Å; Q987-N989 VanDerWaalsContact C-N 3.3Å; Q987-N989 WeakPolarHBondContact CB-OD1 3.27Å; Q987-N989 PolarHBondContact O-N 3.13Å; Q987-N989 PolarHBondContact OE1-ND2 3.2Å; Q987-N989 PolarHBondContact OE1-OD1 3.14Å; Q987-G990 PolarHBondContact O-N 3.32Å; Q987-N991 HydrophobicContact CB-CB 4.36Å; Q987-N991 WeakPolarHBondContact CB-O 3.26Å; Q987-N991 PolarHBondContact N-O 3.25Å; Q987-V1013 PolarHBondContact O-N 3.38Å; Q987-V1013 VanDerWaalsContact O-N 3.14Å
988E88Confident86.5Confident101 Ų10134.8 Ų34.847%0.47219%0.19SC..THydrogen-bonded Turntrans-65.1-30.4177.6-166.9171.8-173.800113.5R970 G990 T1012R970-E988 HydrophobicContact CB-CB 4.2Å; R970-E988 WeakPolarHBondContact CB-OE2 3.4Å; R970-E988 PolarHBondContact O-N 3.07Å; E988-G990 PolarHBondContact O-N 2.87Å; E988-T1012 HydrophobicContact CB-CG2 4.42Å; E988-T1012 HydrophobicContact CG-CG2 3.59Å; E988-T1012 VanDerWaalsContact O-CA 3.26Å; E988-T1012 WeakPolarHBondContact O-CA 3.35Å; E988-T1012 WeakPolarHBondContact O-CG2 3.43Å; E988-T1012 PolarHBondContact O-N 2.68Å
989N87.8Confident86.5Confident62 Ų6233.4 Ų33.433%0.33220%0.195SC..THydrogen-bonded Turntrans-77.40.2176.162.78.2000114C969 Q987 N991C969-N989 HydrophobicContact CB-CB 4.44Å; C969-N989 PolarHBondContact SG-ND2 3.46Å; Q987-N989 VanDerWaalsContact C-N 3.3Å; Q987-N989 WeakPolarHBondContact CB-OD1 3.27Å; Q987-N989 PolarHBondContact O-N 3.13Å; Q987-N989 PolarHBondContact OE1-ND2 3.2Å; Q987-N989 PolarHBondContact OE1-OD1 3.14Å; N989-N991 PolarHBondContact ND2-ND2 3.03Å; N989-N991 VanDerWaalsContact OD1-CB 3.24Å; N989-N991 WeakPolarHBondContact OD1-CB 3.33Å; N989-N991 PolarHBondContact OD1-N 3.27Å
990G87.6Confident86.2Confident0 Ų028.3 Ų28.30%017%0.172CC..SBendtrans90.8-3.6-17700000115.4Q987 E988 H1009 K1011Q987-G990 PolarHBondContact O-N 3.32Å; E988-G990 PolarHBondContact O-N 2.87Å; G990-H1009 WeakPolarHBondContact O-CB 2.87Å; G990-K1011 WeakPolarHBondContact CA-O 3.46Å; G990-K1011 PolarHBondContact N-O 3.3Å
991N91.6Very high86.6Confident42 Ų4233.4 Ų33.423%0.22519%0.189CC..  trans-75.9145.3178.4-65.9-12.4000111.4Q987 N989 L1007Q987-N991 HydrophobicContact CB-CB 4.36Å; Q987-N991 WeakPolarHBondContact CB-O 3.26Å; Q987-N991 PolarHBondContact N-O 3.25Å; N989-N991 PolarHBondContact ND2-ND2 3.03Å; N989-N991 VanDerWaalsContact OD1-CB 3.24Å; N989-N991 WeakPolarHBondContact OD1-CB 3.33Å; N989-N991 PolarHBondContact OD1-N 3.27Å; N991-L1007 HydrophobicContact CB-CD2 4.34Å; N991-L1007 WeakPolarHBondContact OD1-CD2 3.5Å
992V91.3Very high86.7Confident0 Ų034.7 Ų34.70%019%0.191CC..EExtended strand (participates in β ladder)trans-122.7121.4171.8-178.40000109.5L985 L1006 V1013 L1025 T1027L985-V992 CarbonylContact O-C 3.57Å; L985-V992 WeakPolarHBondContact O-CA 3.3Å; V992-L1006 HydrophobicContact CB-CB 4.17Å; V992-L1006 HydrophobicContact CB-CD1 4.46Å; V992-L1006 HydrophobicContact CG1-CD1 4.23Å; V992-L1006 PolarHBondContact N-O 3.37Å; V992-L1006 PolarHBondContact O-N 2.74Å; V992-V1013 HydrophobicContact CG2-CG1 4.18Å; V992-V1013 HydrophobicContact CG2-CG2 3.85Å; V992-L1025 HydrophobicContact CG1-CD2 3.8Å; V992-T1027 HydrophobicContact CG1-CG2 4.25Å; V992-T1027 HydrophobicContact CG2-CG2 4.07Å
993Q91.1Very high86.7Confident34 Ų3438.5 Ų38.516%0.15921%0.211CC..EExtended strand (participates in β ladder)trans-110.8139.6178.3-73.2179.1-15.500110.6A984 L985 L1002 T1005A984-Q993 CarbonylContact C-O 3.57Å; A984-Q993 VanDerWaalsContact CA-O 3.3Å; A984-Q993 WeakPolarHBondContact CA-O 3.44Å; L985-Q993 PolarHBondContact N-O 3.48Å; L985-Q993 PolarHBondContact O-N 2.83Å; Q993-L1002 HydrophobicContact CB-CD1 4.15Å; Q993-L1002 HydrophobicContact CG-CD1 4.2Å; Q993-T1005 HydrophobicContact CG-CG2 4.3Å
994V90.8Very high86.5Confident0 Ų039.3 Ų39.30%022%0.218CC..EExtended strand (participates in β ladder)trans-114.3121.2174.5-176.20000108.7A982 V983 A984 L1003 A1004 L1006 F1018 L1025 W1039A982-V994 HydrophobicContact CB-CG1 4.06Å; V983-V994 CarbonylContact O-C 3.53Å; V983-V994 WeakPolarHBondContact O-CA 3.43Å; A984-V994 HydrophobicContact CB-CG2 4.34Å; V994-L1003 HydrophobicContact CG1-CB 4.45Å; V994-L1003 HydrophobicContact CG1-CD1 4.4Å; V994-L1003 WeakPolarHBondContact O-CA 3.34Å; V994-L1003 WeakPolarHBondContact O-CB 3.39Å; V994-L1003 PolarHBondContact O-N 2.83Å; V994-A1004 HydrophobicContact CB-CB 4.39Å; V994-A1004 PolarHBondContact N-O 2.79Å; V994-A1004 PolarHBondContact O-N 3.04Å; V994-L1006 HydrophobicContact CG2-CD1 4.48Å; V994-F1018 HydrophobicContact CG1-CZ 4.19Å; V994-L1025 HydrophobicContact CG2-CD2 4.12Å; V994-W1039 HydrophobicContact CB-CE3 4.37Å; V994-W1039 HydrophobicContact CG1-CD2 4.38Å; V994-W1039 HydrophobicContact CG1-CE3 4.01Å; V994-W1039 HydrophobicContact CG1-CZ3 4.1Å; V994-W1039 HydrophobicContact CG2-CB 4.4Å
995L89.8Confident86.5Confident10 Ų1042.4 Ų42.45%0.05224%0.237CC..EExtended strand (participates in β ladder)trans-112.8146.7-179.7-53.3178.7000110.5L950 F962 A982 V983 L985 K1001 L1002L950-L995 HydrophobicContact CD2-CD1 4.05Å; F962-L995 HydrophobicContact CE1-CD1 4.19Å; F962-L995 HydrophobicContact CZ-CD1 4.43Å; A982-L995 CarbonylContact C-O 3.37Å; A982-L995 WeakPolarHBondContact CA-O 3.2Å; A982-L995 WeakPolarHBondContact CB-O 3.43Å; V983-L995 HydrophobicContact CG1-CB 3.83Å; V983-L995 PolarHBondContact N-O 3.04Å; V983-L995 PolarHBondContact O-N 3.45Å; L985-L995 HydrophobicContact CD1-CD1 3.8Å; L985-L995 HydrophobicContact CD1-CG 4.37Å; L995-K1001 WeakPolarHBondContact CA-O 3.27Å; L995-L1002 HydrophobicContact CD2-CB 4.04Å; L995-L1002 HydrophobicContact CD2-CD1 3.63Å; L995-L1002 HydrophobicContact CD2-CG 4.46Å
996A86.3Confident86.5Confident15 Ų1542.8 Ų42.812%0.12424%0.239CC..EExtended strand (participates in β ladder)trans-77.6140.117200000111.4G1000 K1001 L1003A996-G1000 WeakPolarHBondContact O-CA 3.39Å; A996-G1000 PolarHBondContact O-N 3.08Å; A996-K1001 PolarHBondContact N-O 2.73Å; A996-L1003 HydrophobicContact CB-CD1 3.88Å; A996-L1003 HydrophobicContact CB-CD2 4.01Å; A996-L1003 HydrophobicContact CB-CG 3.91Å
997L81.1Confident86.4Confident25 Ų2548.3 Ų48.313%0.13127%0.268CS..THydrogen-bonded Turntrans-108.2135.2172.8-66.2-179000111.2V952 F962 M976 S981 V983V952-L997 HydrophobicContact CB-CD2 4.38Å; V952-L997 HydrophobicContact CG1-CD2 4.27Å; V952-L997 HydrophobicContact CG2-CD2 3.69Å; F962-L997 HydrophobicContact CD1-CD2 4.28Å; M976-L997 HydrophobicContact CG-CD1 4.23Å; M976-L997 HydrophobicContact SD-CD1 4.04Å; S981-L997 PolarHBondContact O-N 3.33Å; S981-L997 WeakPolarHBondContact OG-CB 3.42Å; S981-L997 PolarHBondContact OG-O 3.22Å; S981-L997 VanDerWaalsContact OG-O 3.08Å; V983-L997 HydrophobicContact CB-CD1 4.1Å; V983-L997 HydrophobicContact CB-CD2 4.38Å; V983-L997 HydrophobicContact CB-CG 4.24Å; V983-L997 HydrophobicContact CG1-CD1 4.43Å; V983-L997 HydrophobicContact CG1-CD2 3.82Å; V983-L997 HydrophobicContact CG1-CG 4.07Å
998P69.3Low85.9Confident94 Ų9449.1 Ų49.161%0.6128%0.278SS*.THydrogen-bonded Turncis-91.4-0.81.335.3-34000114.5G1000P998-G1000 PolarHBondContact O-N 2.62Å
999S76.8Confident86.1Confident87 Ų8744.8 Ų44.861%0.60826%0.257SS*.THydrogen-bonded Turntrans-68.7-15.5-169.361.80000115.4K1001S999-K1001 PolarHBondContact O-N 3.05Å; S999-K1001 VanDerWaalsContact O-N 3.11Å
1000G75.3Confident86.1Confident17 Ų1747.1 Ų47.118%0.17527%0.274CS..  trans72.8-0.2178.600000115.5A996 P998 L1002A996-G1000 WeakPolarHBondContact O-CA 3.39Å; A996-G1000 PolarHBondContact O-N 3.08Å; P998-G1000 PolarHBondContact O-N 2.62Å; G1000-L1002 PolarHBondContact O-N 3.27Å
1001K83.8Confident86.2Confident150 Ų15052.4 Ų52.465%0.65230%0.297SS*.  trans-64.4128.8-176.3-172.5176.3179.6178.30109.8L995 A996 S999 L1003L995-K1001 WeakPolarHBondContact CA-O 3.27Å; A996-K1001 PolarHBondContact N-O 2.73Å; S999-K1001 PolarHBondContact O-N 3.05Å; S999-K1001 VanDerWaalsContact O-N 3.11Å; K1001-L1003 PolarHBondContact O-N 3.31Å
1002L87.3Confident86.2Confident88 Ų8851.2 Ų51.246%0.46129%0.291SS..EExtended strand (participates in β ladder)trans-60.9117.9171.8-177.466.4000109.8Q993 L995 G1000Q993-L1002 HydrophobicContact CB-CD1 4.15Å; Q993-L1002 HydrophobicContact CG-CD1 4.2Å; L995-L1002 HydrophobicContact CD2-CB 4.04Å; L995-L1002 HydrophobicContact CD2-CD1 3.63Å; L995-L1002 HydrophobicContact CD2-CG 4.46Å; G1000-L1002 PolarHBondContact O-N 3.27Å
1003L87.7Confident86.2Confident80 Ų8051.2 Ų51.242%0.41929%0.291SS..EExtended strand (participates in β ladder)trans-93.1-42.8178-64.7178.7000111.5A982 V994 A996 K1001 W1039A982-L1003 HydrophobicContact CB-CD1 4.26Å; V994-L1003 HydrophobicContact CG1-CB 4.45Å; V994-L1003 HydrophobicContact CG1-CD1 4.4Å; V994-L1003 WeakPolarHBondContact O-CA 3.34Å; V994-L1003 WeakPolarHBondContact O-CB 3.39Å; V994-L1003 PolarHBondContact O-N 2.83Å; A996-L1003 HydrophobicContact CB-CD1 3.88Å; A996-L1003 HydrophobicContact CB-CD2 4.01Å; A996-L1003 HydrophobicContact CB-CG 3.91Å; K1001-L1003 PolarHBondContact O-N 3.31Å; L1003-W1039 HydrophobicContact CB-CZ3 4.04Å; L1003-W1039 HydrophobicContact CD1-CH2 4.08Å; L1003-W1039 HydrophobicContact CD1-CZ3 4.06Å
1004A87.6Confident86.1Confident17 Ų1750.2 Ų50.214%0.1429%0.287CS..EExtended strand (participates in β ladder)trans-154.5148.2179.800000111.9V994 W1039V994-A1004 HydrophobicContact CB-CB 4.39Å; V994-A1004 PolarHBondContact N-O 2.79Å; V994-A1004 PolarHBondContact O-N 3.04Å; A1004-W1039 HydrophobicContact CB-CE3 4.26Å; A1004-W1039 WeakPolarHBondContact CB-O 3.3Å
1005T89.9Confident86.1Confident65 Ų6551.8 Ų51.840%0.39929%0.294SS..EExtended strand (participates in β ladder)trans-118.5119.8167-58.20000108.2Q993 L1007Q993-T1005 HydrophobicContact CG-CG2 4.3Å; T1005-L1007 HydrophobicContact CG2-CD2 3.92Å; T1005-L1007 HydrophobicContact CG2-CG 4.25Å
1006L90.2Very high86.2Confident7 Ų751.4 Ų51.44%0.03729%0.292CS..EExtended strand (participates in β ladder)trans-105.2113.4-178.6-51.3171.2000108.2V992 V994 L1025 W1037 W1039V992-L1006 HydrophobicContact CB-CB 4.17Å; V992-L1006 HydrophobicContact CB-CD1 4.46Å; V992-L1006 HydrophobicContact CG1-CD1 4.23Å; V992-L1006 PolarHBondContact N-O 3.37Å; V992-L1006 PolarHBondContact O-N 2.74Å; V994-L1006 HydrophobicContact CG2-CD1 4.48Å; L1006-L1025 HydrophobicContact CD1-CD2 3.84Å; L1006-W1037 HydrophobicContact CB-CD2 4.14Å; L1006-W1037 HydrophobicContact CB-CE3 3.98Å; L1006-W1037 HydrophobicContact CB-CH2 4.11Å; L1006-W1037 HydrophobicContact CB-CZ2 4.26Å; L1006-W1037 HydrophobicContact CB-CZ3 3.96Å; L1006-W1037 HydrophobicContact CD1-CB 3.95Å; L1006-W1037 HydrophobicContact CD1-CD2 3.93Å; L1006-W1037 HydrophobicContact CD1-CE3 4.25Å; L1006-W1037 HydrophobicContact CD1-CG 3.81Å; L1006-W1037 HydrophobicContact CD2-CD2 4.43Å; L1006-W1037 HydrophobicContact CD2-CE3 3.91Å; L1006-W1037 HydrophobicContact CD2-CZ3 4.38Å; L1006-W1037 HydrophobicContact CG-CD2 4.39Å; L1006-W1037 HydrophobicContact CG-CE3 4.26Å; L1006-W1039 HydrophobicContact CD1-CB 3.98Å; L1006-W1039 HydrophobicContact CD2-CB 4.35Å
1007L89.1Confident86.3Confident116 Ų11653.6 Ų53.661%0.60730%0.3SS*.  trans-105.3125.3-179.6-58.9176000108.8N991 T1005 W1037N991-L1007 HydrophobicContact CB-CD2 4.34Å; N991-L1007 WeakPolarHBondContact OD1-CD2 3.5Å; T1005-L1007 HydrophobicContact CG2-CD2 3.92Å; T1005-L1007 HydrophobicContact CG2-CG 4.25Å; L1007-W1037 WeakPolarHBondContact O-CH2 3.45Å
1008G82.7Confident86.7Confident22 Ų2253.2 Ų53.223%0.22730%0.297CS..  trans-179.9-40.7178.200000116.4R1035G1008-R1035 PolarHBondContact O-NH2 3.04Å
1009H90.8Very high87.4Confident9 Ų949.8 Ų49.84%0.04228%0.275CS..  trans-69.8144176.6-72.6-67000110.7G990 V1013 T1027 S1029 D1031 T1033G990-H1009 WeakPolarHBondContact O-CB 2.87Å; H1009-V1013 HydrophobicContact CB-CG2 4.28Å; H1009-T1027 PolarHBondContact NE2-OG1 2.61Å; H1009-S1029 WeakPolarHBondContact ND1-CB 3.42Å; H1009-D1031 VanDerWaalsContact CA-OD2 3.24Å; H1009-D1031 WeakPolarHBondContact CA-OD2 3.41Å; H1009-D1031 WeakPolarHBondContact CB-OD2 3.3Å; H1009-D1031 IonicContact CE1-OD1 2.85Å; H1009-D1031 IonicContact CG-OD2 3.25Å; H1009-D1031 IonicContact ND1-OD1 3.51Å; H1009-D1031 PolarHBondContact ND1-OD1 2.72Å; H1009-D1031 IonicContact ND1-OD2 2.77Å; H1009-D1031 PolarHBondContact ND1-OD2 2.93Å; H1009-T1033 PolarHBondContact CE1-OG1 3.35Å; H1009-T1033 PolarHBondContact ND1-OG1 2.93Å
1010T88.8Confident87.3Confident112 Ų11253 Ų5369%0.68728%0.28SS*.SBendtrans-96.5-11.8-179.561.30000113.1D1031T1010-D1031 PolarHBondContact N-OD2 3.36Å; T1010-D1031 VanDerWaalsContact N-OD2 3.13Å; T1010-D1031 VanDerWaalsContact OG1-CB 3.29Å; T1010-D1031 WeakPolarHBondContact OG1-CB 3.4Å
1011K90.1Very high87.4Confident111 Ų11155.8 Ų55.848%0.48329%0.292SS..SBendtrans-135.3-177.1179.9-63.8-171.5178.2-179.50110.1G990 S1029 E1030 D1031G990-K1011 WeakPolarHBondContact CA-O 3.46Å; G990-K1011 PolarHBondContact N-O 3.3Å; K1011-S1029 PolarHBondContact O-OG 2.72Å; K1011-S1029 VanDerWaalsContact O-OG 3.1Å; K1011-E1030 HydrophobicContact CB-CB 3.86Å; K1011-E1030 HydrophobicContact CD-CB 4Å; K1011-D1031 HydrophobicContact CB-CB 4.13Å; K1011-D1031 HydrophobicContact CG-CB 4.22Å
1012T90.2Very high87.2Confident16 Ų1648.7 Ų48.710%0.09826%0.261CS..  trans-54.8138.8-175.587.80000112.3E988 S1029 E1030E988-T1012 HydrophobicContact CB-CG2 4.42Å; E988-T1012 HydrophobicContact CG-CG2 3.59Å; E988-T1012 VanDerWaalsContact O-CA 3.26Å; E988-T1012 WeakPolarHBondContact O-CA 3.35Å; E988-T1012 WeakPolarHBondContact O-CG2 3.43Å; E988-T1012 PolarHBondContact O-N 2.68Å; T1012-S1029 WeakPolarHBondContact O-CA 3.39Å; T1012-S1029 VanDerWaalsContact O-CB 3.25Å; T1012-S1029 WeakPolarHBondContact O-CB 3.18Å; T1012-S1029 PolarHBondContact O-OG 3.1Å; T1012-E1030 PolarHBondContact O-N 3.44Å; T1012-E1030 VanDerWaalsContact O-N 3.12Å; T1012-E1030 WeakPolarHBondContact OG1-CG 3.39Å; T1012-E1030 PolarHBondContact OG1-OE1 3.14Å; T1012-E1030 PolarHBondContact OG1-OE2 2.8Å
1013V92.4Very high87Confident0 Ų050.2 Ų50.20%027%0.266CS..EExtended strand (participates in β ladder)trans-87.8116.6174-174.70000108.8R972 Q987 V992 H1009 C1016 S1028R972-V1013 WeakPolarHBondContact CB-O 3.31Å; R972-V1013 WeakPolarHBondContact CG-O 3.45Å; Q987-V1013 PolarHBondContact O-N 3.38Å; Q987-V1013 VanDerWaalsContact O-N 3.14Å; V992-V1013 HydrophobicContact CG2-CG1 4.18Å; V992-V1013 HydrophobicContact CG2-CG2 3.85Å; H1009-V1013 HydrophobicContact CB-CG2 4.28Å; V1013-C1016 VanDerWaalsContact CG1-SG 3.57Å; V1013-S1028 CarbonylContact C-O 3.59Å
1014L89.3Confident87Confident13 Ų1347.7 Ų47.77%0.06825%0.253CS..EExtended strand (participates in β ladder)trans-90.7-35-171.8-68.7178000113.4S1028 E1030 V1054L1014-S1028 PolarHBondContact N-O 3.13Å; L1014-E1030 HydrophobicContact CD1-CG 3.76Å; L1014-E1030 HydrophobicContact CD2-CG 4.11Å; L1014-E1030 HydrophobicContact CG-CG 3.98Å; L1014-V1054 WeakPolarHBondContact CD1-O 3.39Å
1015H89.7Confident87.1Confident33 Ų3346.9 Ų46.915%0.15325%0.247CC..EExtended strand (participates in β ladder)trans-149.3139.7-179.9-170.755.5000111.6T1027 S1028 C1056 F1057H1015-T1027 CarbonylContact O-C 3.6Å; H1015-T1027 WeakPolarHBondContact O-CA 3.36Å; H1015-S1028 WeakPolarHBondContact CB-OG 3.39Å; H1015-S1028 PolarHBondContact O-N 3.29Å; H1015-S1028 PolarHBondContact O-OG 2.85Å; H1015-C1056 PolarHBondContact CD2-SG 2.91Å; H1015-F1057 HydrophobicContact CB-CE1 4.47Å; H1015-F1057 AromaticContact CD2-CE1 3.74Å; H1015-F1057 AromaticContact CD2-CZ 3.75Å
1016C91.3Very high87.2Confident2 Ų243.8 Ų43.81%0.01423%0.228CC..EExtended strand (participates in β ladder)trans-128.5140.7175.6-58.80000108.9S973 C975 V1013 L1025 I1026 T1027S973-C1016 PolarHBondContact OG-SG 3.26Å; C975-C1016 HydrophobicContact CB-CB 4.11Å; C975-C1016 WeakPolarHBondContact CB-O 3.45Å; V1013-C1016 VanDerWaalsContact CG1-SG 3.57Å; C1016-L1025 HydrophobicContact CB-CD1 4.46Å; C1016-I1026 CarbonylContact C-O 3.52Å; C1016-I1026 WeakPolarHBondContact CA-O 3.34Å; C1016-T1027 HydrophobicContact CB-CG2 4.37Å
1017Q90Very high87.3Confident61 Ų6143.5 Ų43.529%0.28523%0.226SC..EExtended strand (participates in β ladder)trans-146.7130.9174.9-167.5-178.9000110.7I1026 F1057Q1017-I1026 PolarHBondContact N-O 3.26Å; Q1017-I1026 PolarHBondContact O-N 3.44Å; Q1017-F1057 HydrophobicContact CB-CE2 3.68Å; Q1017-F1057 HydrophobicContact CB-CZ 3.86Å
1018F88.1Confident87.5Confident18 Ų1838 Ų388%0.07920%0.197CC..EExtended strand (participates in β ladder)trans-78.7141.6168.5-77.9-78.2000111C975 C977 A984 V994 L1025 W1039C975-F1018 HydrophobicContact CB-CD2 4.45Å; C975-F1018 PolarHBondContact SG-N 3.3Å; C977-F1018 HydrophobicContact CB-CB 4.05Å; C977-F1018 HydrophobicContact CB-CD1 4.15Å; C977-F1018 HydrophobicContact CB-CD2 3.54Å; C977-F1018 HydrophobicContact CB-CE1 4.5Å; C977-F1018 HydrophobicContact CB-CE2 3.93Å; C977-F1018 HydrophobicContact CB-CG 3.66Å; C977-F1018 HydrophobicContact CB-CZ 4.39Å; A984-F1018 HydrophobicContact CB-CE2 3.58Å; A984-F1018 HydrophobicContact CB-CZ 3.78Å; V994-F1018 HydrophobicContact CG1-CZ 4.19Å; F1018-L1025 HydrophobicContact CD1-CB 4.16Å; F1018-L1025 HydrophobicContact CD1-CD1 3.92Å; F1018-L1025 HydrophobicContact CD2-CD1 4.05Å; F1018-L1025 HydrophobicContact CE1-CB 4.09Å; F1018-L1025 HydrophobicContact CE1-CD1 3.94Å; F1018-L1025 HydrophobicContact CE1-CG 4.44Å; F1018-L1025 HydrophobicContact CE2-CD1 4.08Å; F1018-L1025 HydrophobicContact CG-CD1 3.99Å; F1018-L1025 HydrophobicContact CZ-CD1 4.03Å; F1018-W1039 AromaticContact CE1-CD1 3.86Å; F1018-W1039 HydrophobicContact CE1-CG 4.49Å; F1018-W1039 AromaticContact CE1-NE1 3.68Å
1019C84.7Confident88Confident22 Ų2236.9 Ų36.915%0.14919%0.186CC..  trans-70.2155.5165.5-62.50000110N1021 G1022 T1024C1019-N1021 WeakPolarHBondContact CB-OD1 3.21Å; C1019-N1021 PolarHBondContact O-N 3.01Å; C1019-N1021 VanDerWaalsContact O-N 3.07Å; C1019-G1022 WeakPolarHBondContact O-CA 3.44Å; C1019-G1022 PolarHBondContact O-N 2.98Å; C1019-T1024 PolarHBondContact N-O 3.05Å
1020Q75.3Confident88Confident153 Ų15339.3 Ų39.372%0.71520%0.197SC*.THydrogen-bonded Turntrans-60.2-24.5-176.6-158.5178.625.700113.8G1022 D1062Q1020-G1022 PolarHBondContact O-N 3.45Å; Q1020-D1062 PolarHBondContact OE1-O 2.64Å
1021N75.8Confident88Confident77 Ų7734.8 Ų34.841%0.41217%0.169SC..THydrogen-bonded Turntrans-72.7-10.9173.565.515.2000114C1019 Q1023 T1024C1019-N1021 WeakPolarHBondContact CB-OD1 3.21Å; C1019-N1021 PolarHBondContact O-N 3.01Å; C1019-N1021 VanDerWaalsContact O-N 3.07Å; N1021-Q1023 PolarHBondContact O-N 3.4Å; N1021-Q1023 PolarHBondContact OD1-N 3.09Å; N1021-T1024 PolarHBondContact OD1-N 3.17Å
1022G79.5Confident88Confident0 Ų031 Ų310%016%0.155CC..SBendtrans65.23.3-178.300000115.4N979 C1019 Q1020 W1039N979-G1022 WeakPolarHBondContact O-CA 3.46Å; C1019-G1022 WeakPolarHBondContact O-CA 3.44Å; C1019-G1022 PolarHBondContact O-N 2.98Å; Q1020-G1022 PolarHBondContact O-N 3.45Å; G1022-W1039 PolarHBondContact O-NE1 3.08Å
1023Q83.6Confident88Confident121 Ų12130.8 Ų30.857%0.56515%0.154SC*.SBendtrans-93.8-27.8-176.9-66.5-176.86.500112.6N1021 W1039N1021-Q1023 PolarHBondContact O-N 3.4Å; N1021-Q1023 PolarHBondContact OD1-N 3.09Å; Q1023-W1039 PolarHBondContact O-NE1 3.33Å
1024T87.8Confident88Confident26 Ų2630.8 Ų30.816%0.1615%0.154CC..EExtended strand (participates in β ladder)trans-114136.1-177.1-530000110.4C1019 N1021 V1036 W1037C1019-T1024 PolarHBondContact N-O 3.05Å; N1021-T1024 PolarHBondContact OD1-N 3.17Å; T1024-V1036 HydrophobicContact CG2-CG1 3.39Å; T1024-W1037 CarbonylContact C-O 3.53Å; T1024-W1037 VanDerWaalsContact CA-O 3.28Å; T1024-W1037 WeakPolarHBondContact CA-O 3.26Å
1025L90.1Very high88.2Confident0 Ų032.3 Ų32.30%016%0.159CC..EExtended strand (participates in β ladder)trans-118.6128.6176176.869.2000108.7A984 V992 V994 L1006 C1016 F1018 T1027 W1037 W1039A984-L1025 HydrophobicContact CB-CD1 3.85Å; A984-L1025 HydrophobicContact CB-CD2 3.87Å; V992-L1025 HydrophobicContact CG1-CD2 3.8Å; V994-L1025 HydrophobicContact CG2-CD2 4.12Å; L1006-L1025 HydrophobicContact CD1-CD2 3.84Å; C1016-L1025 HydrophobicContact CB-CD1 4.46Å; F1018-L1025 HydrophobicContact CD1-CB 4.16Å; F1018-L1025 HydrophobicContact CD1-CD1 3.92Å; F1018-L1025 HydrophobicContact CD2-CD1 4.05Å; F1018-L1025 HydrophobicContact CE1-CB 4.09Å; F1018-L1025 HydrophobicContact CE1-CD1 3.94Å; F1018-L1025 HydrophobicContact CE1-CG 4.44Å; F1018-L1025 HydrophobicContact CE2-CD1 4.08Å; F1018-L1025 HydrophobicContact CG-CD1 3.99Å; F1018-L1025 HydrophobicContact CZ-CD1 4.03Å; L1025-T1027 HydrophobicContact CD2-CG2 4.21Å; L1025-T1027 HydrophobicContact CG-CG2 4.06Å; L1025-W1037 HydrophobicContact CB-CB 4.36Å; L1025-W1037 PolarHBondContact N-O 2.9Å; L1025-W1037 WeakPolarHBondContact O-CB 3.1Å; L1025-W1037 PolarHBondContact O-N 2.74Å; L1025-W1039 HydrophobicContact CB-CB 4.49Å
1026I91.9Very high88.3Confident1 Ų131.2 Ų31.21%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-107.9135.3177.5-52178.5000108.5C1016 Q1017 I1034 R1035 V1036 F1057 L1059 L1069 T1083C1016-I1026 CarbonylContact C-O 3.52Å; C1016-I1026 WeakPolarHBondContact CA-O 3.34Å; Q1017-I1026 PolarHBondContact N-O 3.26Å; Q1017-I1026 PolarHBondContact O-N 3.44Å; I1026-I1034 HydrophobicContact CG2-CG2 3.7Å; I1026-R1035 CarbonylContact C-O 3.53Å; I1026-R1035 WeakPolarHBondContact CA-O 3.21Å; I1026-V1036 HydrophobicContact CG1-CG1 4.4Å; I1026-V1036 HydrophobicContact CG1-CG2 4.3Å; I1026-V1036 HydrophobicContact CG2-CG2 4.36Å; I1026-F1057 HydrophobicContact CB-CE1 4.41Å; I1026-F1057 HydrophobicContact CB-CE2 3.73Å; I1026-F1057 HydrophobicContact CB-CZ 3.61Å; I1026-F1057 HydrophobicContact CG2-CD1 4.27Å; I1026-F1057 HydrophobicContact CG2-CD2 4.12Å; I1026-F1057 HydrophobicContact CG2-CE1 3.8Å; I1026-F1057 HydrophobicContact CG2-CE2 3.6Å; I1026-F1057 HydrophobicContact CG2-CG 4.42Å; I1026-F1057 HydrophobicContact CG2-CZ 3.44Å; I1026-F1057 VanDerWaalsContact CG2-CZ 3.44Å; I1026-F1057 WeakPolarHBondContact O-CZ 3.44Å; I1026-L1059 HydrophobicContact CD1-CD2 4.17Å; I1026-L1069 HydrophobicContact CD1-CD1 4.02Å; I1026-L1069 HydrophobicContact CG2-CD2 4.13Å; I1026-T1083 HydrophobicContact CD1-CG2 4.18Å
1027T92.6Very high88.2Confident0 Ų031.5 Ų31.50%016%0.155CC..EExtended strand (participates in β ladder)trans-133.8143.6-177.963.50000110.9V992 H1009 H1015 C1016 L1025 I1034 R1035 W1037V992-T1027 HydrophobicContact CG1-CG2 4.25Å; V992-T1027 HydrophobicContact CG2-CG2 4.07Å; H1009-T1027 PolarHBondContact NE2-OG1 2.61Å; H1015-T1027 CarbonylContact O-C 3.6Å; H1015-T1027 WeakPolarHBondContact O-CA 3.36Å; C1016-T1027 HydrophobicContact CB-CG2 4.37Å; L1025-T1027 HydrophobicContact CD2-CG2 4.21Å; L1025-T1027 HydrophobicContact CG-CG2 4.06Å; T1027-I1034 CarbonylContact O-C 3.51Å; T1027-I1034 VanDerWaalsContact O-CA 3.28Å; T1027-I1034 WeakPolarHBondContact O-CA 3.21Å; T1027-I1034 VanDerWaalsContact O-CG2 3.32Å; T1027-I1034 WeakPolarHBondContact O-CG2 3.1Å; T1027-R1035 PolarHBondContact N-O 3.33Å; T1027-R1035 PolarHBondContact O-N 3.16Å; T1027-W1037 PolarHBondContact OG1-NE1 3.41Å
1028S93Very high88.2Confident0 Ų033 Ų330%016%0.161CC..EExtended strand (participates in β ladder)trans-127.6148.5176.357.70000111V1013 L1014 H1015V1013-S1028 CarbonylContact C-O 3.59Å; L1014-S1028 PolarHBondContact N-O 3.13Å; H1015-S1028 WeakPolarHBondContact CB-OG 3.39Å; H1015-S1028 PolarHBondContact O-N 3.29Å; H1015-S1028 PolarHBondContact O-OG 2.85Å
1029S92.7Very high88.1Confident0 Ų032.8 Ų32.80%016%0.16CC..EExtended strand (participates in β ladder)trans-139.5163.1-172174.60000113H1009 K1011 T1012 D1031 T1032 T1033 V1054H1009-S1029 WeakPolarHBondContact ND1-CB 3.42Å; K1011-S1029 PolarHBondContact O-OG 2.72Å; K1011-S1029 VanDerWaalsContact O-OG 3.1Å; T1012-S1029 WeakPolarHBondContact O-CA 3.39Å; T1012-S1029 VanDerWaalsContact O-CB 3.25Å; T1012-S1029 WeakPolarHBondContact O-CB 3.18Å; T1012-S1029 PolarHBondContact O-OG 3.1Å; S1029-D1031 VanDerWaalsContact CB-OD1 3.3Å; S1029-D1031 WeakPolarHBondContact CB-OD1 3.24Å; S1029-D1031 PolarHBondContact O-N 3.39Å; S1029-D1031 PolarHBondContact OG-N 3.46Å; S1029-D1031 VanDerWaalsContact OG-N 3.16Å; S1029-T1032 PolarHBondContact O-N 3.06Å; S1029-T1033 PolarHBondContact N-O 3.44Å; S1029-V1054 PolarHBondContact O-N 2.98Å
1030E90.9Very high88.1Confident59 Ų5938.7 Ų38.728%0.27618%0.183SC..THydrogen-bonded Turntrans-62.1-13166.1-71.1176.7-163.200113.6K1011 T1012 L1014 T1032 Q1053K1011-E1030 HydrophobicContact CB-CB 3.86Å; K1011-E1030 HydrophobicContact CD-CB 4Å; T1012-E1030 PolarHBondContact O-N 3.44Å; T1012-E1030 VanDerWaalsContact O-N 3.12Å; T1012-E1030 WeakPolarHBondContact OG1-CG 3.39Å; T1012-E1030 PolarHBondContact OG1-OE1 3.14Å; T1012-E1030 PolarHBondContact OG1-OE2 2.8Å; L1014-E1030 HydrophobicContact CD1-CG 3.76Å; L1014-E1030 HydrophobicContact CD2-CG 4.11Å; L1014-E1030 HydrophobicContact CG-CG 3.98Å; E1030-T1032 PolarHBondContact O-N 3.22Å; E1030-Q1053 HydrophobicContact CB-CB 4.33Å; E1030-Q1053 HydrophobicContact CG-CB 4.27Å
1031D88.9Confident88.6Confident18 Ų1834.9 Ų34.910%0.09617%0.173CC..THydrogen-bonded Turntrans-74.98.5175.672.510.1000114.3H1009 T1010 K1011 S1029 T1033H1009-D1031 VanDerWaalsContact CA-OD2 3.24Å; H1009-D1031 WeakPolarHBondContact CA-OD2 3.41Å; H1009-D1031 WeakPolarHBondContact CB-OD2 3.3Å; H1009-D1031 IonicContact CE1-OD1 2.85Å; H1009-D1031 IonicContact CG-OD2 3.25Å; H1009-D1031 IonicContact ND1-OD1 3.51Å; H1009-D1031 PolarHBondContact ND1-OD1 2.72Å; H1009-D1031 IonicContact ND1-OD2 2.77Å; H1009-D1031 PolarHBondContact ND1-OD2 2.93Å; T1010-D1031 PolarHBondContact N-OD2 3.36Å; T1010-D1031 VanDerWaalsContact N-OD2 3.13Å; T1010-D1031 VanDerWaalsContact OG1-CB 3.29Å; T1010-D1031 WeakPolarHBondContact OG1-CB 3.4Å; K1011-D1031 HydrophobicContact CB-CB 4.13Å; K1011-D1031 HydrophobicContact CG-CB 4.22Å; S1029-D1031 VanDerWaalsContact CB-OD1 3.3Å; S1029-D1031 WeakPolarHBondContact CB-OD1 3.24Å; S1029-D1031 PolarHBondContact O-N 3.39Å; S1029-D1031 PolarHBondContact OG-N 3.46Å; S1029-D1031 VanDerWaalsContact OG-N 3.16Å; D1031-T1033 VanDerWaalsContact CG-OG1 3.24Å; D1031-T1033 PolarHBondContact O-N 3.3Å; D1031-T1033 WeakPolarHBondContact OD1-CA 3.29Å; D1031-T1033 WeakPolarHBondContact OD1-CB 3.25Å; D1031-T1033 PolarHBondContact OD1-N 3.22Å; D1031-T1033 PolarHBondContact OD1-OG1 2.61Å; D1031-T1033 PolarHBondContact OD2-OG1 2.76Å
1032T89.7Confident88.7Confident31 Ų3133.2 Ų33.219%0.1917%0.174CC..SBendtrans71.2-1-178.276.70000115.3S1029 E1030S1029-T1032 PolarHBondContact O-N 3.06Å; E1030-T1032 PolarHBondContact O-N 3.22Å
1033T91.3Very high89Confident11 Ų1138.1 Ų38.17%0.06720%0.197CC..EExtended strand (participates in β ladder)trans-102152.3-17874.10000112.4H1009 S1029 D1031 V1046 Q1048H1009-T1033 PolarHBondContact CE1-OG1 3.35Å; H1009-T1033 PolarHBondContact ND1-OG1 2.93Å; S1029-T1033 PolarHBondContact N-O 3.44Å; D1031-T1033 VanDerWaalsContact CG-OG1 3.24Å; D1031-T1033 PolarHBondContact O-N 3.3Å; D1031-T1033 WeakPolarHBondContact OD1-CA 3.29Å; D1031-T1033 WeakPolarHBondContact OD1-CB 3.25Å; D1031-T1033 PolarHBondContact OD1-N 3.22Å; D1031-T1033 PolarHBondContact OD1-OG1 2.61Å; D1031-T1033 PolarHBondContact OD2-OG1 2.76Å; T1033-V1046 HydrophobicContact CG2-CG1 4.19Å; T1033-Q1048 HydrophobicContact CG2-CG 4.33Å
1034I92.8Very high89.3Confident1 Ų134.6 Ų34.61%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-115.2136.9165.6-54.4167.7000106.6I1026 T1027 L1047 V1054 F1057 L1069I1026-I1034 HydrophobicContact CG2-CG2 3.7Å; T1027-I1034 CarbonylContact O-C 3.51Å; T1027-I1034 VanDerWaalsContact O-CA 3.28Å; T1027-I1034 WeakPolarHBondContact O-CA 3.21Å; T1027-I1034 VanDerWaalsContact O-CG2 3.32Å; T1027-I1034 WeakPolarHBondContact O-CG2 3.1Å; I1034-L1047 HydrophobicContact CB-CB 4.12Å; I1034-L1047 HydrophobicContact CB-CD1 4.14Å; I1034-L1047 HydrophobicContact CB-CG 4.5Å; I1034-L1047 HydrophobicContact CG2-CD1 4.03Å; I1034-L1047 PolarHBondContact N-O 3.47Å; I1034-L1047 WeakPolarHBondContact O-CB 3.2Å; I1034-L1047 PolarHBondContact O-N 3.35Å; I1034-V1054 HydrophobicContact CD1-CG1 3.9Å; I1034-V1054 HydrophobicContact CG1-CB 4.39Å; I1034-V1054 HydrophobicContact CG1-CG1 3.9Å; I1034-V1054 HydrophobicContact CG1-CG2 4.23Å; I1034-F1057 HydrophobicContact CG2-CD1 4.42Å; I1034-L1069 HydrophobicContact CG2-CD2 4.08Å
1035R92.4Very high89.3Confident44 Ų4437.5 Ų37.517%0.16620%0.196CC..EExtended strand (participates in β ladder)trans-120.3133.2-179.9-67.4-179.2175.2-115.9-0.8110.5G1008 I1026 T1027 W1037 K1045 V1046G1008-R1035 PolarHBondContact O-NH2 3.04Å; I1026-R1035 CarbonylContact C-O 3.53Å; I1026-R1035 WeakPolarHBondContact CA-O 3.21Å; T1027-R1035 PolarHBondContact N-O 3.33Å; T1027-R1035 PolarHBondContact O-N 3.16Å; R1035-W1037 HydrophobicContact CB-CZ2 3.97Å; R1035-W1037 VanDerWaalsContact CB-NE1 3.3Å; R1035-W1037 HydrophobicContact CG-CZ2 4.32Å; R1035-K1045 CarbonylContact C-O 3.54Å; R1035-K1045 WeakPolarHBondContact CA-O 3.44Å; R1035-V1046 HydrophobicContact CG-CG2 4.31Å
1036V91.6Very high89.4Confident10 Ų1040.6 Ų40.66%0.06122%0.215CC..EExtended strand (participates in β ladder)trans-108.6115.1176-177.80000107.6T1024 I1026 C1044 K1045 L1047 T1083T1024-V1036 HydrophobicContact CG2-CG1 3.39Å; I1026-V1036 HydrophobicContact CG1-CG1 4.4Å; I1026-V1036 HydrophobicContact CG1-CG2 4.3Å; I1026-V1036 HydrophobicContact CG2-CG2 4.36Å; V1036-C1044 WeakPolarHBondContact O-CA 3.34Å; V1036-K1045 HydrophobicContact CB-CB 4.37Å; V1036-K1045 PolarHBondContact N-O 3.32Å; V1036-K1045 PolarHBondContact O-N 3.36Å; V1036-L1047 HydrophobicContact CG2-CD1 3.96Å; V1036-L1047 HydrophobicContact CG2-CG 4.38Å; V1036-T1083 HydrophobicContact CG2-CG2 4.37Å
1037W89.8Confident89.3Confident8 Ų840.7 Ų40.73%0.0322%0.215CC..EExtended strand (participates in β ladder)trans-111.4127.4-172-56.391.8000111L1006 L1007 T1024 L1025 T1027 R1035 W1039 E1043 C1044L1006-W1037 HydrophobicContact CB-CD2 4.14Å; L1006-W1037 HydrophobicContact CB-CE3 3.98Å; L1006-W1037 HydrophobicContact CB-CH2 4.11Å; L1006-W1037 HydrophobicContact CB-CZ2 4.26Å; L1006-W1037 HydrophobicContact CB-CZ3 3.96Å; L1006-W1037 HydrophobicContact CD1-CB 3.95Å; L1006-W1037 HydrophobicContact CD1-CD2 3.93Å; L1006-W1037 HydrophobicContact CD1-CE3 4.25Å; L1006-W1037 HydrophobicContact CD1-CG 3.81Å; L1006-W1037 HydrophobicContact CD2-CD2 4.43Å; L1006-W1037 HydrophobicContact CD2-CE3 3.91Å; L1006-W1037 HydrophobicContact CD2-CZ3 4.38Å; L1006-W1037 HydrophobicContact CG-CD2 4.39Å; L1006-W1037 HydrophobicContact CG-CE3 4.26Å; L1007-W1037 WeakPolarHBondContact O-CH2 3.45Å; T1024-W1037 CarbonylContact C-O 3.53Å; T1024-W1037 VanDerWaalsContact CA-O 3.28Å; T1024-W1037 WeakPolarHBondContact CA-O 3.26Å; L1025-W1037 HydrophobicContact CB-CB 4.36Å; L1025-W1037 PolarHBondContact N-O 2.9Å; L1025-W1037 WeakPolarHBondContact O-CB 3.1Å; L1025-W1037 PolarHBondContact O-N 2.74Å; T1027-W1037 PolarHBondContact OG1-NE1 3.41Å; R1035-W1037 HydrophobicContact CB-CZ2 3.97Å; R1035-W1037 VanDerWaalsContact CB-NE1 3.3Å; R1035-W1037 HydrophobicContact CG-CZ2 4.32Å; W1037-W1039 VanDerWaalsContact C-N 3.31Å; W1037-W1039 PolarHBondContact O-N 2.74Å; W1037-E1043 CarbonylContact C-O 3.55Å; W1037-E1043 WeakPolarHBondContact CA-O 3.44Å; W1037-C1044 HydrophobicContact CD2-CB 4.14Å; W1037-C1044 HydrophobicContact CE3-CB 3.44Å; W1037-C1044 VanDerWaalsContact CE3-CB 3.44Å; W1037-C1044 VanDerWaalsContact CE3-SG 3.58Å; W1037-C1044 HydrophobicContact CH2-CB 4.02Å; W1037-C1044 WeakPolarHBondContact CH2-SG 3.37Å; W1037-C1044 HydrophobicContact CZ3-CB 3.37Å; W1037-C1044 WeakPolarHBondContact CZ3-SG 3.44Å
1038K88.9Confident89Confident94 Ų9447.6 Ų47.641%0.40925%0.247SC..EExtended strand (participates in β ladder)trans-83.886.1154.5-63.8-173.7-165.21560107.7K1040 S1041 G1042 E1043K1038-K1040 PolarHBondContact O-N 3.36Å; K1038-S1041 WeakPolarHBondContact CB-OG 3.39Å; K1038-S1041 PolarHBondContact O-N 3.45Å; K1038-S1041 PolarHBondContact O-OG 3.35Å; K1038-G1042 PolarHBondContact O-N 3.19Å; K1038-E1043 HydrophobicContact CB-CB 4.23Å; K1038-E1043 WeakPolarHBondContact CD-OE2 2.95Å; K1038-E1043 WeakPolarHBondContact CE-OE2 3.47Å; K1038-E1043 PolarHBondContact N-O 3.21Å; K1038-E1043 IonicContact NZ-OE2 2.81Å; K1038-E1043 PolarHBondContact NZ-OE2 3.3Å
1039W85.9Confident88.5Confident13 Ų1349.1 Ų49.15%0.04926%0.263CS..THydrogen-bonded Turntrans-62.5-21.5-164.764.4-92.2000114.7P980 V994 L1003 A1004 L1006 F1018 G1022 Q1023 L1025 W1037P980-W1039 HydrophobicContact CG-CH2 3.94Å; P980-W1039 HydrophobicContact CG-CZ2 3.56Å; V994-W1039 HydrophobicContact CB-CE3 4.37Å; V994-W1039 HydrophobicContact CG1-CD2 4.38Å; V994-W1039 HydrophobicContact CG1-CE3 4.01Å; V994-W1039 HydrophobicContact CG1-CZ3 4.1Å; V994-W1039 HydrophobicContact CG2-CB 4.4Å; L1003-W1039 HydrophobicContact CB-CZ3 4.04Å; L1003-W1039 HydrophobicContact CD1-CH2 4.08Å; L1003-W1039 HydrophobicContact CD1-CZ3 4.06Å; A1004-W1039 HydrophobicContact CB-CE3 4.26Å; A1004-W1039 WeakPolarHBondContact CB-O 3.3Å; L1006-W1039 HydrophobicContact CD1-CB 3.98Å; L1006-W1039 HydrophobicContact CD2-CB 4.35Å; F1018-W1039 AromaticContact CE1-CD1 3.86Å; F1018-W1039 HydrophobicContact CE1-CG 4.49Å; F1018-W1039 AromaticContact CE1-NE1 3.68Å; G1022-W1039 PolarHBondContact O-NE1 3.08Å; Q1023-W1039 PolarHBondContact O-NE1 3.33Å; L1025-W1039 HydrophobicContact CB-CB 4.49Å; W1037-W1039 VanDerWaalsContact C-N 3.31Å; W1037-W1039 PolarHBondContact O-N 2.74Å
1040K86.4Confident88.3Confident145 Ų14549.6 Ų49.663%0.6327%0.265SS*.THydrogen-bonded Turntrans-76.3-37.1174.2-68.5-175.1-178.9179.10113.6K1038K1038-K1040 PolarHBondContact O-N 3.36Å
1041S84.5Confident88.1Confident73 Ų7357.3 Ų57.351%0.5129%0.292SS..THydrogen-bonded Turntrans-92.9-17.6179.560.10000112.8K1038 E1043K1038-S1041 WeakPolarHBondContact CB-OG 3.39Å; K1038-S1041 PolarHBondContact O-N 3.45Å; K1038-S1041 PolarHBondContact O-OG 3.35Å; S1041-E1043 VanDerWaalsContact C-N 3.28Å
1042G78.6Confident88.1Confident43 Ų4361.4 Ų61.444%0.44331%0.31SS..THydrogen-bonded Turntrans81.11.7-175.400000114.2K1038 C1044K1038-G1042 PolarHBondContact O-N 3.19Å; G1042-C1044 PolarHBondContact O-N 3.14Å
1043E86.6Confident88Confident103 Ų10362.7 Ų62.748%0.48131%0.314SS..EExtended strand (participates in β ladder)trans-63.3129.2175.9-68.1172.8-161.800110.7W1037 K1038 S1041W1037-E1043 CarbonylContact C-O 3.55Å; W1037-E1043 WeakPolarHBondContact CA-O 3.44Å; K1038-E1043 HydrophobicContact CB-CB 4.23Å; K1038-E1043 WeakPolarHBondContact CD-OE2 2.95Å; K1038-E1043 WeakPolarHBondContact CE-OE2 3.47Å; K1038-E1043 PolarHBondContact N-O 3.21Å; K1038-E1043 IonicContact NZ-OE2 2.81Å; K1038-E1043 PolarHBondContact NZ-OE2 3.3Å; S1041-E1043 VanDerWaalsContact C-N 3.28Å
1044C88.1Confident87.9Confident47 Ų4762.1 Ų62.132%0.31831%0.311SS..EExtended strand (participates in β ladder)trans-124.2129.3-179.4-172.80000110.5V1036 W1037 G1042V1036-C1044 WeakPolarHBondContact O-CA 3.34Å; W1037-C1044 HydrophobicContact CD2-CB 4.14Å; W1037-C1044 HydrophobicContact CE3-CB 3.44Å; W1037-C1044 VanDerWaalsContact CE3-CB 3.44Å; W1037-C1044 VanDerWaalsContact CE3-SG 3.58Å; W1037-C1044 HydrophobicContact CH2-CB 4.02Å; W1037-C1044 WeakPolarHBondContact CH2-SG 3.37Å; W1037-C1044 HydrophobicContact CZ3-CB 3.37Å; W1037-C1044 WeakPolarHBondContact CZ3-SG 3.44Å; G1042-C1044 PolarHBondContact O-N 3.14Å
1045K89.1Confident87.5Confident87 Ų8765.8 Ų65.838%0.37833%0.325SS..EExtended strand (participates in β ladder)trans-107.8129.4166.8-65.9-179-178.8173.70109.2R1035 V1036 E1084R1035-K1045 CarbonylContact C-O 3.54Å; R1035-K1045 WeakPolarHBondContact CA-O 3.44Å; V1036-K1045 HydrophobicContact CB-CB 4.37Å; V1036-K1045 PolarHBondContact N-O 3.32Å; V1036-K1045 PolarHBondContact O-N 3.36Å; K1045-E1084 PolarHBondContact NZ-O 3.4Å
1046V90.9Very high87.1Confident65 Ų6564.7 Ų64.739%0.39432%0.323SS..EExtended strand (participates in β ladder)trans-102.1119.2-178.6-174.10000108.9T1033 R1035T1033-V1046 HydrophobicContact CG2-CG1 4.19Å; R1035-V1046 HydrophobicContact CG-CG2 4.31Å
1047L90.5Very high87.1Confident3 Ų364.4 Ų64.42%0.01632%0.321CS..EExtended strand (participates in β ladder)trans-96.7105.9172.8-47.2175.9000107.7I1034 V1036 L1069 W1081 G1086I1034-L1047 HydrophobicContact CB-CB 4.12Å; I1034-L1047 HydrophobicContact CB-CD1 4.14Å; I1034-L1047 HydrophobicContact CB-CG 4.5Å; I1034-L1047 HydrophobicContact CG2-CD1 4.03Å; I1034-L1047 PolarHBondContact N-O 3.47Å; I1034-L1047 WeakPolarHBondContact O-CB 3.2Å; I1034-L1047 PolarHBondContact O-N 3.35Å; V1036-L1047 HydrophobicContact CG2-CD1 3.96Å; V1036-L1047 HydrophobicContact CG2-CG 4.38Å; L1047-L1069 HydrophobicContact CD1-CD2 3.8Å; L1047-W1081 HydrophobicContact CB-CD2 4.04Å; L1047-W1081 HydrophobicContact CB-CE3 3.89Å; L1047-W1081 HydrophobicContact CB-CH2 4.41Å; L1047-W1081 HydrophobicContact CB-CZ3 4.08Å; L1047-W1081 HydrophobicContact CD1-CB 3.96Å; L1047-W1081 HydrophobicContact CD1-CD2 4.23Å; L1047-W1081 HydrophobicContact CD1-CG 3.94Å; L1047-W1081 HydrophobicContact CD2-CE3 4.09Å; L1047-W1081 HydrophobicContact CG-CD2 4.5Å; L1047-W1081 HydrophobicContact CG-CE3 4.41Å; L1047-G1086 VanDerWaalsContact CD2-CA 3.43Å; L1047-G1086 WeakPolarHBondContact CD2-O 3.36Å
1048Q87.2Confident86.9Confident144 Ų14465.5 Ų65.567%0.67333%0.33SS*.EExtended strand (participates in β ladder)trans-116.7130.6-178.2-171176.510.600110.4T1033 W1081T1033-Q1048 HydrophobicContact CG2-CG 4.33Å; Q1048-W1081 WeakPolarHBondContact O-CH2 3.36Å
1049G81.6Confident86.6Confident32 Ų3262.5 Ų62.533%0.3332%0.319SS..  trans172.1-14.3175.700000116.5K1079G1049-K1079 VanDerWaalsContact C-CE 3.5Å; G1049-K1079 WeakPolarHBondContact O-CE 3.35Å
1050H89.2Confident86.2Confident10 Ų1062.2 Ų62.25%0.04632%0.318CS..  trans-74.7153.1169.8-76.7-70.3000111.1V1054 S1071 S1073 D1075 T1077 K1079H1050-V1054 HydrophobicContact CB-CG2 3.92Å; H1050-S1071 PolarHBondContact NE2-OG 2.9Å; H1050-S1073 WeakPolarHBondContact ND1-CB 3.22Å; H1050-D1075 IonicContact CG-OD2 2.71Å; H1050-D1075 IonicContact ND1-OD1 3.09Å; H1050-D1075 IonicContact ND1-OD2 3.09Å; H1050-D1075 PolarHBondContact ND1-OD2 3.39Å; H1050-T1077 PolarHBondContact CE1-O 2.82Å; H1050-T1077 PolarHBondContact CE1-OG1 2.82Å; H1050-T1077 PolarHBondContact ND1-OG1 2.87Å; H1050-T1077 VanDerWaalsContact ND1-OG1 3.12Å; H1050-K1079 VanDerWaalsContact ND1-CE 3.3Å; H1050-K1079 WeakPolarHBondContact ND1-CE 3.47Å
1051R86.8Confident85.4Confident222 Ų22257 Ų5784%0.83830%0.3SS*.SBendtrans-97.3-26.3-178.4-65-178.9179.5-171.2-2.9113.2D1075R1051-D1075 HydrophobicContact CB-CB 4.19Å; R1051-D1075 PolarHBondContact N-OD2 2.96Å
1052E89.4Confident84.1Confident103 Ų10360 Ų6048%0.48131%0.31SS..SBendtrans-123.3178175.5-65.3-170177.500110.6V1054 S1073 F1074 D1075E1052-V1054 PolarHBondContact O-N 2.8Å; E1052-S1073 PolarHBondContact O-OG 2.87Å; E1052-F1074 HydrophobicContact CB-CB 4.27Å; E1052-F1074 WeakPolarHBondContact OE2-CB 3.39Å; E1052-D1075 HydrophobicContact CB-CB 4.13Å; E1052-D1075 HydrophobicContact CG-CB 4.2Å
1053Q87.1Confident83.2Confident58 Ų5860.9 Ų60.927%0.27131%0.31SS..  trans-52.7137.7-177.860.5-177.942.100112.8E1030 S1073 F1074E1030-Q1053 HydrophobicContact CB-CB 4.33Å; E1030-Q1053 HydrophobicContact CG-CB 4.27Å; Q1053-S1073 WeakPolarHBondContact O-CA 3.07Å; Q1053-S1073 WeakPolarHBondContact O-CB 3.38Å; Q1053-S1073 PolarHBondContact O-OG 2.97Å; Q1053-F1074 HydrophobicContact CG-CB 4.28Å; Q1053-F1074 HydrophobicContact CG-CD2 3.66Å; Q1053-F1074 HydrophobicContact CG-CE2 4.22Å; Q1053-F1074 HydrophobicContact CG-CG 3.97Å; Q1053-F1074 PolarHBondContact O-N 2.95Å
1054V88.9Confident81.7Confident0 Ų060 Ų600%032%0.32CS..EExtended strand (participates in β ladder)trans-87116.4177.6-1800000108.3L1014 S1029 I1034 H1050 E1052L1014-V1054 WeakPolarHBondContact CD1-O 3.39Å; S1029-V1054 PolarHBondContact O-N 2.98Å; I1034-V1054 HydrophobicContact CD1-CG1 3.9Å; I1034-V1054 HydrophobicContact CG1-CB 4.39Å; I1034-V1054 HydrophobicContact CG1-CG1 3.9Å; I1034-V1054 HydrophobicContact CG1-CG2 4.23Å; H1050-V1054 HydrophobicContact CB-CG2 3.92Å; E1052-V1054 PolarHBondContact O-N 2.8Å
1055R83.3Confident80.2Confident77 Ų7765.3 Ų65.329%0.29135%0.345SS..EExtended strand (participates in β ladder)trans-75-43.3-170.9178.959.5-175.184.44.7112.6W1072 F1074R1055-W1072 PolarHBondContact N-O 2.99Å; R1055-F1074 HydrophobicContact CB-CD1 4.12Å; R1055-F1074 HydrophobicContact CB-CE1 3.76Å; R1055-F1074 HydrophobicContact CG-CE1 3.81Å; R1055-F1074 HydrophobicContact CG-CZ 4.5Å
1056C85.4Confident79Confident21 Ų2162.8 Ų62.814%0.14234%0.336CS..EExtended strand (participates in β ladder)trans-169.1173.8-178.4-164.60000109.4H1015 W1072H1015-C1056 PolarHBondContact CD2-SG 2.91Å; C1056-W1072 HydrophobicContact CB-CH2 4.17Å; C1056-W1072 HydrophobicContact CB-CZ2 3.42Å; C1056-W1072 VanDerWaalsContact CB-CZ2 3.42Å; C1056-W1072 PolarHBondContact O-N 3.23Å
1057F90.3Very high78.2Confident4 Ų461 Ų612%0.01833%0.326CS..EExtended strand (participates in β ladder)trans-142.7169.1174.157.6-98.6000110.2H1015 Q1017 I1026 I1034 L1069 L1070 W1072H1015-F1057 HydrophobicContact CB-CE1 4.47Å; H1015-F1057 AromaticContact CD2-CE1 3.74Å; H1015-F1057 AromaticContact CD2-CZ 3.75Å; Q1017-F1057 HydrophobicContact CB-CE2 3.68Å; Q1017-F1057 HydrophobicContact CB-CZ 3.86Å; I1026-F1057 HydrophobicContact CB-CE1 4.41Å; I1026-F1057 HydrophobicContact CB-CE2 3.73Å; I1026-F1057 HydrophobicContact CB-CZ 3.61Å; I1026-F1057 HydrophobicContact CG2-CD1 4.27Å; I1026-F1057 HydrophobicContact CG2-CD2 4.12Å; I1026-F1057 HydrophobicContact CG2-CE1 3.8Å; I1026-F1057 HydrophobicContact CG2-CE2 3.6Å; I1026-F1057 HydrophobicContact CG2-CG 4.42Å; I1026-F1057 HydrophobicContact CG2-CZ 3.44Å; I1026-F1057 VanDerWaalsContact CG2-CZ 3.44Å; I1026-F1057 WeakPolarHBondContact O-CZ 3.44Å; I1034-F1057 HydrophobicContact CG2-CD1 4.42Å; F1057-L1069 HydrophobicContact CB-CD1 4.04Å; F1057-L1069 HydrophobicContact CB-CG 4.35Å; F1057-L1069 HydrophobicContact CD2-CD1 3.55Å; F1057-L1069 HydrophobicContact CE2-CD1 4.35Å; F1057-L1069 HydrophobicContact CG-CD1 4.06Å; F1057-L1070 CarbonylContact C-O 3.54Å; F1057-L1070 WeakPolarHBondContact CA-O 3.27Å; F1057-L1070 WeakPolarHBondContact CB-O 3.47Å; F1057-W1072 VanDerWaalsContact C-CZ3 3.43Å
1058S86.1Confident77.9Confident31 Ų3165.3 Ų65.322%0.21734%0.342CS..EExtended strand (participates in β ladder)trans-150.5145176.7-177.80000110.2L1070S1058-L1070 PolarHBondContact N-O 3.08Å; S1058-L1070 PolarHBondContact O-N 2.91Å
1059L83.6Confident78Confident32 Ų3258.4 Ų58.417%0.16831%0.31CS..EExtended strand (participates in β ladder)trans-80.4143.3172.8-67.1167.3000109.8I1026 L1069I1026-L1059 HydrophobicContact CD1-CD2 4.17Å; L1059-L1069 HydrophobicContact CD2-CB 4.47Å; L1059-L1069 HydrophobicContact CD2-CD1 3.81Å; L1059-L1069 HydrophobicContact CG-CD1 4.34Å
1060L76.8Confident78.4Confident7 Ų756.9 Ų56.94%0.03729%0.294CS..SBendtrans-73.9-29.2-175.5-86.7150.1000114R1068 V1080 V1104 C1125 W1128L1060-R1068 HydrophobicContact CB-CB 4.39Å; L1060-R1068 HydrophobicContact CD1-CB 3.37Å; L1060-R1068 HydrophobicContact CD1-CG 4.48Å; L1060-R1068 HydrophobicContact CG-CB 4.48Å; L1060-R1068 PolarHBondContact N-O 3.07Å; L1060-V1080 HydrophobicContact CD1-CG1 4.03Å; L1060-V1104 HydrophobicContact CD2-CG1 4.4Å; L1060-C1125 HydrophobicContact CD2-CB 4.16Å; L1060-W1128 HydrophobicContact CD1-CH2 3.88Å; L1060-W1128 HydrophobicContact CD2-CH2 4Å
1061S68.6Low78.5Confident36 Ų3656.4 Ų56.425%0.25229%0.292SS..  trans-142.7151.6167.7720000110.6S1063 D1066S1061-S1063 PolarHBondContact O-N 2.71Å; S1061-S1063 PolarHBondContact OG-OG 3.31Å; S1061-D1066 WeakPolarHBondContact OG-CB 3.38Å; S1061-D1066 PolarHBondContact OG-OD2 3.09Å
1062D58.1Low78.8Confident136 Ų13646.4 Ų46.473%0.72725%0.254SS*.SBendtrans-77.412.6172.7-66.5-30.6000112.1Q1020Q1020-D1062 PolarHBondContact OE1-O 2.64Å
1063S59.5Low79Confident61 Ų6141.5 Ų41.543%0.42723%0.231SC..SBendtrans-82.6135.3176.576.90000110.1S1061 N1065 D1066S1061-S1063 PolarHBondContact O-N 2.71Å; S1061-S1063 PolarHBondContact OG-OG 3.31Å; S1063-N1065 PolarHBondContact O-N 2.99Å; S1063-D1066 PolarHBondContact O-N 3.14Å
1064A56.3Low79.1Confident84 Ų8441.4 Ų41.469%0.69423%0.23SC*.THydrogen-bonded Turntrans-60.9-9.6-179.200000114.7
1065N55.4Low79.2Confident158 Ų15843 Ų4385%0.84524%0.239SC*.THydrogen-bonded Turntrans-103.5-7.2-176.4-67.9-7.5000113.6S1063S1063-N1065 PolarHBondContact O-N 2.99Å
1066D64.4Low79.5Confident35 Ų3539.4 Ų39.419%0.18723%0.226CC..  trans-95.4110.6-179.4-158.8-7.6000110.3S1061 S1063 R1068S1061-D1066 WeakPolarHBondContact OG-CB 3.38Å; S1061-D1066 PolarHBondContact OG-OD2 3.09Å; S1063-D1066 PolarHBondContact O-N 3.14Å; D1066-R1068 VanDerWaalsContact C-N 3.28Å; D1066-R1068 PolarHBondContact O-N 3.45Å; D1066-R1068 IonicContact OD1-CZ 2.71Å; D1066-R1068 PolarHBondContact OD1-N 2.93Å; D1066-R1068 IonicContact OD1-NE 2.75Å; D1066-R1068 PolarHBondContact OD1-NE 2.65Å; D1066-R1068 IonicContact OD1-NH2 2.59Å; D1066-R1068 PolarHBondContact OD1-NH2 3.45Å; D1066-R1068 IonicContact OD2-CZ 2.97Å; D1066-R1068 IonicContact OD2-NE 3.5Å; D1066-R1068 IonicContact OD2-NH2 3.18Å; D1066-R1068 PolarHBondContact OD2-NH2 3.29Å
1067S72.9Confident79.8Confident27 Ų2739.1 Ų39.119%0.18922%0.223CC..  trans-85.52.8-176.965.70000113.3D1082 T1083S1067-D1082 WeakPolarHBondContact CB-OD1 3.48Å; S1067-D1082 PolarHBondContact OG-OD1 3.5Å; S1067-T1083 WeakPolarHBondContact CA-OG1 3.39Å; S1067-T1083 WeakPolarHBondContact O-CB 3.24Å; S1067-T1083 VanDerWaalsContact O-CG2 3.31Å; S1067-T1083 WeakPolarHBondContact O-CG2 3.38Å; S1067-T1083 PolarHBondContact O-N 2.71Å; S1067-T1083 PolarHBondContact O-OG1 2.69Å
1068R85.5Confident80Confident93 Ų9339 Ų3935%0.35122%0.222SC..EExtended strand (participates in β ladder)trans-87.6127.7-170.7-59.3174.1-68.3169.34.2112.9L1060 D1066 W1081 L1089L1060-R1068 HydrophobicContact CB-CB 4.39Å; L1060-R1068 HydrophobicContact CD1-CB 3.37Å; L1060-R1068 HydrophobicContact CD1-CG 4.48Å; L1060-R1068 HydrophobicContact CG-CB 4.48Å; L1060-R1068 PolarHBondContact N-O 3.07Å; D1066-R1068 VanDerWaalsContact C-N 3.28Å; D1066-R1068 PolarHBondContact O-N 3.45Å; D1066-R1068 IonicContact OD1-CZ 2.71Å; D1066-R1068 PolarHBondContact OD1-N 2.93Å; D1066-R1068 IonicContact OD1-NE 2.75Å; D1066-R1068 PolarHBondContact OD1-NE 2.65Å; D1066-R1068 IonicContact OD1-NH2 2.59Å; D1066-R1068 PolarHBondContact OD1-NH2 3.45Å; D1066-R1068 IonicContact OD2-CZ 2.97Å; D1066-R1068 IonicContact OD2-NE 3.5Å; D1066-R1068 IonicContact OD2-NH2 3.18Å; D1066-R1068 PolarHBondContact OD2-NH2 3.29Å; R1068-W1081 CarbonylContact C-O 3.58Å; R1068-W1081 VanDerWaalsContact CA-O 3.29Å; R1068-W1081 WeakPolarHBondContact CA-O 3.36Å; R1068-L1089 HydrophobicContact CG-CD1 4.01Å
1069L88.7Confident80.3Confident0 Ų037.8 Ų37.80%021%0.213CC..EExtended strand (participates in β ladder)trans-114.5131.4-179.218076.2000110.8I1026 I1034 L1047 F1057 L1059 V1080 W1081 T1083I1026-L1069 HydrophobicContact CD1-CD1 4.02Å; I1026-L1069 HydrophobicContact CG2-CD2 4.13Å; I1034-L1069 HydrophobicContact CG2-CD2 4.08Å; L1047-L1069 HydrophobicContact CD1-CD2 3.8Å; F1057-L1069 HydrophobicContact CB-CD1 4.04Å; F1057-L1069 HydrophobicContact CB-CG 4.35Å; F1057-L1069 HydrophobicContact CD2-CD1 3.55Å; F1057-L1069 HydrophobicContact CE2-CD1 4.35Å; F1057-L1069 HydrophobicContact CG-CD1 4.06Å; L1059-L1069 HydrophobicContact CD2-CB 4.47Å; L1059-L1069 HydrophobicContact CD2-CD1 3.81Å; L1059-L1069 HydrophobicContact CG-CD1 4.34Å; L1069-V1080 CarbonylContact O-C 3.59Å; L1069-V1080 WeakPolarHBondContact O-CA 3.35Å; L1069-W1081 HydrophobicContact CB-CB 4.29Å; L1069-W1081 PolarHBondContact N-O 2.96Å; L1069-W1081 PolarHBondContact O-N 2.96Å; L1069-T1083 HydrophobicContact CB-CG2 3.75Å; L1069-T1083 HydrophobicContact CD2-CG2 4.42Å
1070L90.8Very high80.7Confident0 Ų036.3 Ų36.30%021%0.205CC..EExtended strand (participates in β ladder)trans-102.7124.9174.1-167.9119.4000109.9F1057 S1058 W1072 V1078 K1079 V1080 C1102 F1111 W1128F1057-L1070 CarbonylContact C-O 3.54Å; F1057-L1070 WeakPolarHBondContact CA-O 3.27Å; F1057-L1070 WeakPolarHBondContact CB-O 3.47Å; S1058-L1070 PolarHBondContact N-O 3.08Å; S1058-L1070 PolarHBondContact O-N 2.91Å; L1070-W1072 HydrophobicContact CD2-CE3 3.88Å; L1070-W1072 HydrophobicContact CD2-CZ3 3.97Å; L1070-V1078 HydrophobicContact CD1-CG1 3.76Å; L1070-V1078 HydrophobicContact CD2-CG1 3.84Å; L1070-V1078 HydrophobicContact CG-CG1 3.64Å; L1070-K1079 WeakPolarHBondContact CA-O 3.45Å; L1070-V1080 HydrophobicContact CD1-CG2 4.24Å; L1070-C1102 HydrophobicContact CD2-CB 4.44Å; L1070-C1102 WeakPolarHBondContact CD2-SG 3.33Å; L1070-F1111 HydrophobicContact CD1-CD1 4.35Å; L1070-F1111 HydrophobicContact CD1-CD2 4.21Å; L1070-F1111 HydrophobicContact CD1-CE1 4.42Å; L1070-F1111 HydrophobicContact CD1-CE2 4.28Å; L1070-F1111 HydrophobicContact CD1-CG 4.23Å; L1070-F1111 HydrophobicContact CD1-CZ 4.38Å; L1070-F1111 HydrophobicContact CD2-CD2 4.44Å; L1070-W1128 HydrophobicContact CD1-CZ3 3.96Å
1071S91.6Very high81.3Confident0 Ų036.2 Ų36.20%021%0.205CC..EExtended strand (participates in β ladder)trans-122.9150177.467.90000112H1050 V1078 K1079 W1081H1050-S1071 PolarHBondContact NE2-OG 2.9Å; S1071-V1078 CarbonylContact O-C 3.59Å; S1071-V1078 VanDerWaalsContact O-CA 3.27Å; S1071-V1078 WeakPolarHBondContact O-CA 3.49Å; S1071-K1079 PolarHBondContact N-O 3.26Å; S1071-K1079 PolarHBondContact O-N 3.23Å; S1071-W1081 PolarHBondContact OG-NE1 2.93Å
1072W92.8Very high82.2Confident11 Ų1135.8 Ų35.84%0.04220%0.199CC..EExtended strand (participates in β ladder)trans-137.1146177.257.496.1000111.8R1055 C1056 F1057 L1070 V1078 I1099 C1102R1055-W1072 PolarHBondContact N-O 2.99Å; C1056-W1072 HydrophobicContact CB-CH2 4.17Å; C1056-W1072 HydrophobicContact CB-CZ2 3.42Å; C1056-W1072 VanDerWaalsContact CB-CZ2 3.42Å; C1056-W1072 PolarHBondContact O-N 3.23Å; F1057-W1072 VanDerWaalsContact C-CZ3 3.43Å; L1070-W1072 HydrophobicContact CD2-CE3 3.88Å; L1070-W1072 HydrophobicContact CD2-CZ3 3.97Å; W1072-V1078 HydrophobicContact CB-CG2 4.19Å; W1072-I1099 HydrophobicContact CB-CB 4.24Å; W1072-I1099 HydrophobicContact CB-CD1 4.25Å; W1072-I1099 HydrophobicContact CB-CG2 3.86Å; W1072-I1099 HydrophobicContact CG-CG2 3.98Å; W1072-C1102 HydrophobicContact CD2-CB 3.47Å; W1072-C1102 VanDerWaalsContact CD2-CB 3.47Å; W1072-C1102 HydrophobicContact CE3-CB 3.5Å; W1072-C1102 HydrophobicContact CG-CB 4.02Å; W1072-C1102 HydrophobicContact CH2-CB 3.94Å; W1072-C1102 WeakPolarHBondContact CH2-O 3.48Å; W1072-C1102 HydrophobicContact CZ2-CB 3.9Å; W1072-C1102 HydrophobicContact CZ3-CB 3.74Å
1073S92.4Very high83.4Confident0 Ų030.5 Ų30.50%017%0.172CC..EExtended strand (participates in β ladder)trans-130166.5-172.6172.40000111.7H1050 E1052 Q1053 D1075 G1076 T1077 I1099H1050-S1073 WeakPolarHBondContact ND1-CB 3.22Å; E1052-S1073 PolarHBondContact O-OG 2.87Å; Q1053-S1073 WeakPolarHBondContact O-CA 3.07Å; Q1053-S1073 WeakPolarHBondContact O-CB 3.38Å; Q1053-S1073 PolarHBondContact O-OG 2.97Å; S1073-D1075 VanDerWaalsContact CB-OD1 3.32Å; S1073-D1075 WeakPolarHBondContact CB-OD1 3.41Å; S1073-D1075 PolarHBondContact O-N 3.03Å; S1073-D1075 PolarHBondContact OG-N 2.88Å; S1073-D1075 PolarHBondContact OG-OD1 3.35Å; S1073-G1076 PolarHBondContact O-N 2.95Å; S1073-T1077 PolarHBondContact N-O 3.13Å; S1073-I1099 PolarHBondContact O-N 3.39Å
1074F90.4Very high84.5Confident57 Ų5734.2 Ų34.225%0.2518%0.183CC..THydrogen-bonded Turntrans-69.3-12.6172.2-73.86.5000112.9E1052 Q1053 R1055 G1076 A1098 L1100E1052-F1074 HydrophobicContact CB-CB 4.27Å; E1052-F1074 WeakPolarHBondContact OE2-CB 3.39Å; Q1053-F1074 HydrophobicContact CG-CB 4.28Å; Q1053-F1074 HydrophobicContact CG-CD2 3.66Å; Q1053-F1074 HydrophobicContact CG-CE2 4.22Å; Q1053-F1074 HydrophobicContact CG-CG 3.97Å; Q1053-F1074 PolarHBondContact O-N 2.95Å; R1055-F1074 HydrophobicContact CB-CD1 4.12Å; R1055-F1074 HydrophobicContact CB-CE1 3.76Å; R1055-F1074 HydrophobicContact CG-CE1 3.81Å; R1055-F1074 HydrophobicContact CG-CZ 4.5Å; F1074-G1076 PolarHBondContact O-N 2.82Å; F1074-G1076 VanDerWaalsContact O-N 3.1Å; F1074-A1098 HydrophobicContact CB-CB 3.96Å; F1074-A1098 HydrophobicContact CD1-CB 3.95Å; F1074-A1098 HydrophobicContact CG-CB 3.94Å; F1074-A1098 VanDerWaalsContact O-CA 3.31Å; F1074-A1098 WeakPolarHBondContact O-CA 3.35Å; F1074-L1100 HydrophobicContact CE1-CD2 4.42Å
1075D89.8Confident85.7Confident34 Ų3433 Ų3318%0.18217%0.17CC..THydrogen-bonded Turntrans-71.23172.469.612.6000114.9H1050 R1051 E1052 S1073 T1077H1050-D1075 IonicContact CG-OD2 2.71Å; H1050-D1075 IonicContact ND1-OD1 3.09Å; H1050-D1075 IonicContact ND1-OD2 3.09Å; H1050-D1075 PolarHBondContact ND1-OD2 3.39Å; R1051-D1075 HydrophobicContact CB-CB 4.19Å; R1051-D1075 PolarHBondContact N-OD2 2.96Å; E1052-D1075 HydrophobicContact CB-CB 4.13Å; E1052-D1075 HydrophobicContact CG-CB 4.2Å; S1073-D1075 VanDerWaalsContact CB-OD1 3.32Å; S1073-D1075 WeakPolarHBondContact CB-OD1 3.41Å; S1073-D1075 PolarHBondContact O-N 3.03Å; S1073-D1075 PolarHBondContact OG-N 2.88Å; S1073-D1075 PolarHBondContact OG-OD1 3.35Å; D1075-T1077 VanDerWaalsContact C-N 3.29Å; D1075-T1077 VanDerWaalsContact CG-OG1 3.24Å; D1075-T1077 PolarHBondContact O-N 2.84Å; D1075-T1077 WeakPolarHBondContact OD1-CA 3.26Å; D1075-T1077 VanDerWaalsContact OD1-CB 3.26Å; D1075-T1077 WeakPolarHBondContact OD1-CB 3.34Å; D1075-T1077 PolarHBondContact OD1-N 2.92Å; D1075-T1077 PolarHBondContact OD1-OG1 3.26Å; D1075-T1077 PolarHBondContact OD2-OG1 3.12Å
1076G89.3Confident86.9Confident1 Ų126.4 Ų26.41%0.0114%0.139CC..SBendtrans78.86.7-179.800000114.6S1073 F1074 A1094 H1095 G1097S1073-G1076 PolarHBondContact O-N 2.95Å; F1074-G1076 PolarHBondContact O-N 2.82Å; F1074-G1076 VanDerWaalsContact O-N 3.1Å; G1076-A1094 PolarHBondContact O-N 2.91Å; G1076-A1094 VanDerWaalsContact O-N 3.16Å; G1076-H1095 PolarHBondContact O-N 3.26Å; G1076-G1097 WeakPolarHBondContact CA-O 3.42Å
1077T93.2Very high88Confident15 Ų1531.1 Ų31.19%0.09216%0.159CC..EExtended strand (participates in β ladder)trans-107145.1-177.673.40000113.5H1050 S1073 D1075 I1092 K1093H1050-T1077 PolarHBondContact CE1-O 2.82Å; H1050-T1077 PolarHBondContact CE1-OG1 2.82Å; H1050-T1077 PolarHBondContact ND1-OG1 2.87Å; H1050-T1077 VanDerWaalsContact ND1-OG1 3.12Å; S1073-T1077 PolarHBondContact N-O 3.13Å; D1075-T1077 VanDerWaalsContact C-N 3.29Å; D1075-T1077 VanDerWaalsContact CG-OG1 3.24Å; D1075-T1077 PolarHBondContact O-N 2.84Å; D1075-T1077 WeakPolarHBondContact OD1-CA 3.26Å; D1075-T1077 VanDerWaalsContact OD1-CB 3.26Å; D1075-T1077 WeakPolarHBondContact OD1-CB 3.34Å; D1075-T1077 PolarHBondContact OD1-N 2.92Å; D1075-T1077 PolarHBondContact OD1-OG1 3.26Å; D1075-T1077 PolarHBondContact OD2-OG1 3.12Å; T1077-I1092 CarbonylContact C-O 3.58Å; T1077-I1092 WeakPolarHBondContact CA-O 2.77Å; T1077-K1093 HydrophobicContact CG2-CG 4.28Å
1078V93.4Very high88.8Confident0 Ų034.4 Ų34.40%017%0.171CC..EExtended strand (participates in β ladder)trans-109.5131.9166179.80000108.2L1070 S1071 W1072 I1092 A1094 I1099 F1111 T1113L1070-V1078 HydrophobicContact CD1-CG1 3.76Å; L1070-V1078 HydrophobicContact CD2-CG1 3.84Å; L1070-V1078 HydrophobicContact CG-CG1 3.64Å; S1071-V1078 CarbonylContact O-C 3.59Å; S1071-V1078 VanDerWaalsContact O-CA 3.27Å; S1071-V1078 WeakPolarHBondContact O-CA 3.49Å; W1072-V1078 HydrophobicContact CB-CG2 4.19Å; V1078-I1092 HydrophobicContact CB-CB 4.29Å; V1078-I1092 PolarHBondContact N-O 2.86Å; V1078-I1092 WeakPolarHBondContact O-CA 3.39Å; V1078-I1092 WeakPolarHBondContact O-CB 3.44Å; V1078-I1092 PolarHBondContact O-N 2.88Å; V1078-A1094 HydrophobicContact CG2-CB 4.08Å; V1078-I1099 HydrophobicContact CG2-CD1 3.52Å; V1078-F1111 HydrophobicContact CG1-CE2 4.2Å; V1078-T1113 HydrophobicContact CG2-CG2 3.68Å
1079K92.8Very high88.9Confident7 Ų733.8 Ų33.83%0.0317%0.173CC..EExtended strand (participates in β ladder)trans-121.7145.3178-64.2179.3-162-65.30110.5G1049 H1050 L1070 S1071 W1081 K1088 Q1090 D1091G1049-K1079 VanDerWaalsContact C-CE 3.5Å; G1049-K1079 WeakPolarHBondContact O-CE 3.35Å; H1050-K1079 VanDerWaalsContact ND1-CE 3.3Å; H1050-K1079 WeakPolarHBondContact ND1-CE 3.47Å; L1070-K1079 WeakPolarHBondContact CA-O 3.45Å; S1071-K1079 PolarHBondContact N-O 3.26Å; S1071-K1079 PolarHBondContact O-N 3.23Å; K1079-W1081 HydrophobicContact CB-CZ2 3.93Å; K1079-W1081 HydrophobicContact CD-CH2 4.32Å; K1079-W1081 HydrophobicContact CD-CZ2 3.63Å; K1079-W1081 HydrophobicContact CG-CZ2 4.42Å; K1079-K1088 HydrophobicContact CD-CD 4.02Å; K1079-K1088 HydrophobicContact CG-CD 4.41Å; K1079-Q1090 WeakPolarHBondContact CA-O 3.49Å; K1079-D1091 IonicContact NZ-OD1 3.95Å; K1079-D1091 PolarHBondContact NZ-OD1 2.83Å; K1079-D1091 IonicContact NZ-OD2 3.68Å; K1079-D1091 PolarHBondContact NZ-OD2 3.34Å
1080V91.4Very high88.9Confident0 Ų037.9 Ų37.90%019%0.193CC..EExtended strand (participates in β ladder)trans-112.2127.9176.2-171.70000107.8L1060 L1069 L1070 L1089 Q1090 W1128L1060-V1080 HydrophobicContact CD1-CG1 4.03Å; L1069-V1080 CarbonylContact O-C 3.59Å; L1069-V1080 WeakPolarHBondContact O-CA 3.35Å; L1070-V1080 HydrophobicContact CD1-CG2 4.24Å; V1080-L1089 HydrophobicContact CB-CB 4.38Å; V1080-L1089 HydrophobicContact CG1-CB 4.32Å; V1080-L1089 HydrophobicContact CG1-CD1 4.26Å; V1080-L1089 PolarHBondContact O-N 2.87Å; V1080-Q1090 HydrophobicContact CB-CB 4Å; V1080-Q1090 HydrophobicContact CG2-CB 3.94Å; V1080-Q1090 PolarHBondContact N-O 3.03Å; V1080-Q1090 VanDerWaalsContact N-O 3.09Å; V1080-Q1090 PolarHBondContact O-N 2.81Å; V1080-W1128 HydrophobicContact CB-CH2 4.31Å; V1080-W1128 HydrophobicContact CB-CZ2 4.42Å; V1080-W1128 HydrophobicContact CG1-CH2 3.89Å; V1080-W1128 HydrophobicContact CG1-CZ2 3.94Å; V1080-W1128 HydrophobicContact CG2-CD2 4.21Å; V1080-W1128 HydrophobicContact CG2-CE3 3.8Å; V1080-W1128 HydrophobicContact CG2-CH2 3.45Å; V1080-W1128 VanDerWaalsContact CG2-CH2 3.45Å; V1080-W1128 HydrophobicContact CG2-CZ2 3.87Å; V1080-W1128 HydrophobicContact CG2-CZ3 3.41Å; V1080-W1128 VanDerWaalsContact CG2-CZ3 3.41Å
1081W90.3Very high88.9Confident6 Ų641.1 Ų41.12%0.02321%0.21CC..EExtended strand (participates in β ladder)trans-120.4151.3-176.5-52.590.2000110L1047 Q1048 R1068 L1069 S1071 K1079 E1087 K1088L1047-W1081 HydrophobicContact CB-CD2 4.04Å; L1047-W1081 HydrophobicContact CB-CE3 3.89Å; L1047-W1081 HydrophobicContact CB-CH2 4.41Å; L1047-W1081 HydrophobicContact CB-CZ3 4.08Å; L1047-W1081 HydrophobicContact CD1-CB 3.96Å; L1047-W1081 HydrophobicContact CD1-CD2 4.23Å; L1047-W1081 HydrophobicContact CD1-CG 3.94Å; L1047-W1081 HydrophobicContact CD2-CE3 4.09Å; L1047-W1081 HydrophobicContact CG-CD2 4.5Å; L1047-W1081 HydrophobicContact CG-CE3 4.41Å; Q1048-W1081 WeakPolarHBondContact O-CH2 3.36Å; R1068-W1081 CarbonylContact C-O 3.58Å; R1068-W1081 VanDerWaalsContact CA-O 3.29Å; R1068-W1081 WeakPolarHBondContact CA-O 3.36Å; L1069-W1081 HydrophobicContact CB-CB 4.29Å; L1069-W1081 PolarHBondContact N-O 2.96Å; L1069-W1081 PolarHBondContact O-N 2.96Å; S1071-W1081 PolarHBondContact OG-NE1 2.93Å; K1079-W1081 HydrophobicContact CB-CZ2 3.93Å; K1079-W1081 HydrophobicContact CD-CH2 4.32Å; K1079-W1081 HydrophobicContact CD-CZ2 3.63Å; K1079-W1081 HydrophobicContact CG-CZ2 4.42Å; W1081-E1087 WeakPolarHBondContact CA-O 3.45Å; W1081-K1088 HydrophobicContact CE3-CB 3.8Å; W1081-K1088 HydrophobicContact CE3-CG 4.27Å; W1081-K1088 HydrophobicContact CH2-CB 4.09Å; W1081-K1088 HydrophobicContact CH2-CD 4.21Å; W1081-K1088 HydrophobicContact CH2-CG 4.16Å; W1081-K1088 HydrophobicContact CZ3-CB 3.53Å; W1081-K1088 HydrophobicContact CZ3-CG 4.04Å
1082D87.9Confident89Confident26 Ų2641.7 Ų41.714%0.13921%0.213CC..EExtended strand (participates in β ladder)trans-94.6120.6160.6173.826.2000109S1067 E1084 S1085 G1086 E1087 L1089S1067-D1082 WeakPolarHBondContact CB-OD1 3.48Å; S1067-D1082 PolarHBondContact OG-OD1 3.5Å; D1082-E1084 VanDerWaalsContact C-N 3.25Å; D1082-E1084 PolarHBondContact O-N 2.91Å; D1082-E1084 PolarHBondContact OD1-N 2.84Å; D1082-E1084 VanDerWaalsContact OD1-N 3.1Å; D1082-S1085 VanDerWaalsContact CB-OG 3.31Å; D1082-S1085 WeakPolarHBondContact CB-OG 3.35Å; D1082-S1085 VanDerWaalsContact CG-OG 3.27Å; D1082-S1085 WeakPolarHBondContact OD2-CB 3.3Å; D1082-S1085 PolarHBondContact OD2-N 3.36Å; D1082-S1085 PolarHBondContact OD2-OG 3.09Å; D1082-G1086 WeakPolarHBondContact O-CA 3.21Å; D1082-G1086 PolarHBondContact O-N 3Å; D1082-E1087 PolarHBondContact N-O 2.81Å; D1082-L1089 HydrophobicContact CB-CD1 4.11Å; D1082-L1089 HydrophobicContact CB-CD2 4.32Å; D1082-L1089 HydrophobicContact CB-CG 4.19Å
1083T82.6Confident88.8Confident25 Ų2549.8 Ų49.815%0.15325%0.249CC..THydrogen-bonded Turntrans-70.5-22.8-179.855.70000112.4I1026 V1036 S1067 L1069I1026-T1083 HydrophobicContact CD1-CG2 4.18Å; V1036-T1083 HydrophobicContact CG2-CG2 4.37Å; S1067-T1083 WeakPolarHBondContact CA-OG1 3.39Å; S1067-T1083 WeakPolarHBondContact O-CB 3.24Å; S1067-T1083 VanDerWaalsContact O-CG2 3.31Å; S1067-T1083 WeakPolarHBondContact O-CG2 3.38Å; S1067-T1083 PolarHBondContact O-N 2.71Å; S1067-T1083 PolarHBondContact O-OG1 2.69Å; L1069-T1083 HydrophobicContact CB-CG2 3.75Å; L1069-T1083 HydrophobicContact CD2-CG2 4.42Å
1084E82.4Confident88.7Confident139 Ų13949.9 Ų49.965%0.6525%0.249SC*.THydrogen-bonded Turntrans-81.5-52.2177.2-71.6-168.4176.700112.1K1045 D1082K1045-E1084 PolarHBondContact NZ-O 3.4Å; D1082-E1084 VanDerWaalsContact C-N 3.25Å; D1082-E1084 PolarHBondContact O-N 2.91Å; D1082-E1084 PolarHBondContact OD1-N 2.84Å; D1082-E1084 VanDerWaalsContact OD1-N 3.1Å
1085S82.1Confident88.7Confident60 Ų6047.7 Ų47.742%0.4224%0.24SC..THydrogen-bonded Turntrans-78-28.3177.260.90000113.3D1082 E1087D1082-S1085 VanDerWaalsContact CB-OG 3.31Å; D1082-S1085 WeakPolarHBondContact CB-OG 3.35Å; D1082-S1085 VanDerWaalsContact CG-OG 3.27Å; D1082-S1085 WeakPolarHBondContact OD2-CB 3.3Å; D1082-S1085 PolarHBondContact OD2-N 3.36Å; D1082-S1085 PolarHBondContact OD2-OG 3.09Å; S1085-E1087 WeakPolarHBondContact OG-CB 3.3Å; S1085-E1087 PolarHBondContact OG-N 2.79Å
1086G80.8Confident88.6Confident19 Ų1955.2 Ų55.220%0.19627%0.274CS..  trans78.85.6-168.200000113.8L1047 D1082L1047-G1086 VanDerWaalsContact CD2-CA 3.43Å; L1047-G1086 WeakPolarHBondContact CD2-O 3.36Å; D1082-G1086 WeakPolarHBondContact O-CA 3.21Å; D1082-G1086 PolarHBondContact O-N 3Å
1087E86.1Confident88.5Confident133 Ų13356.1 Ų56.162%0.62128%0.283SS*.  trans-81.5148.6-177.8-66.3-172.3167.700112.5W1081 D1082 S1085 L1089W1081-E1087 WeakPolarHBondContact CA-O 3.45Å; D1082-E1087 PolarHBondContact N-O 2.81Å; S1085-E1087 WeakPolarHBondContact OG-CB 3.3Å; S1085-E1087 PolarHBondContact OG-N 2.79Å; E1087-L1089 PolarHBondContact O-N 2.82Å
1088K90Very high88.3Confident97 Ų9756.6 Ų56.642%0.42229%0.288SS..EExtended strand (participates in β ladder)trans-81109.3172.2-171.1-179.665.5176.80109.2K1079 W1081 D1091K1079-K1088 HydrophobicContact CD-CD 4.02Å; K1079-K1088 HydrophobicContact CG-CD 4.41Å; W1081-K1088 HydrophobicContact CE3-CB 3.8Å; W1081-K1088 HydrophobicContact CE3-CG 4.27Å; W1081-K1088 HydrophobicContact CH2-CB 4.09Å; W1081-K1088 HydrophobicContact CH2-CD 4.21Å; W1081-K1088 HydrophobicContact CH2-CG 4.16Å; W1081-K1088 HydrophobicContact CZ3-CB 3.53Å; W1081-K1088 HydrophobicContact CZ3-CG 4.04Å; K1088-D1091 HydrophobicContact CD-CB 4.24Å; K1088-D1091 IonicContact NZ-OD2 2.98Å; K1088-D1091 PolarHBondContact NZ-OD2 3.26Å
1089L88Confident88.3Confident79 Ų7956.6 Ų56.641%0.41429%0.288SS..EExtended strand (participates in β ladder)trans-75.7-41.3177.6-61.6178.3000112.1R1068 V1080 D1082 E1087R1068-L1089 HydrophobicContact CG-CD1 4.01Å; V1080-L1089 HydrophobicContact CB-CB 4.38Å; V1080-L1089 HydrophobicContact CG1-CB 4.32Å; V1080-L1089 HydrophobicContact CG1-CD1 4.26Å; V1080-L1089 PolarHBondContact O-N 2.87Å; D1082-L1089 HydrophobicContact CB-CD1 4.11Å; D1082-L1089 HydrophobicContact CB-CD2 4.32Å; D1082-L1089 HydrophobicContact CB-CG 4.19Å; E1087-L1089 PolarHBondContact O-N 2.82Å
1090Q88.6Confident88.3Confident86 Ų8657.9 Ų57.940%0.40230%0.295SS..EExtended strand (participates in β ladder)trans-146152.6-177.2-69.2-62.7-29.700113.1K1079 V1080 W1128K1079-Q1090 WeakPolarHBondContact CA-O 3.49Å; V1080-Q1090 HydrophobicContact CB-CB 4Å; V1080-Q1090 HydrophobicContact CG2-CB 3.94Å; V1080-Q1090 PolarHBondContact N-O 3.03Å; V1080-Q1090 VanDerWaalsContact N-O 3.09Å; V1080-Q1090 PolarHBondContact O-N 2.81Å; Q1090-W1128 HydrophobicContact CG-CD2 4.26Å; Q1090-W1128 HydrophobicContact CG-CG 3.93Å
1091D91.8Very high88.2Confident68 Ų6859.2 Ų59.236%0.36431%0.305SS..EExtended strand (participates in β ladder)trans-133.2100.2179-160-19.4000110.7K1079 K1088K1079-D1091 IonicContact NZ-OD1 3.95Å; K1079-D1091 PolarHBondContact NZ-OD1 2.83Å; K1079-D1091 IonicContact NZ-OD2 3.68Å; K1079-D1091 PolarHBondContact NZ-OD2 3.34Å; K1088-D1091 HydrophobicContact CD-CB 4.24Å; K1088-D1091 IonicContact NZ-OD2 2.98Å; K1088-D1091 PolarHBondContact NZ-OD2 3.26Å
1092I92.5Very high88.3Confident13 Ų1359.2 Ų59.27%0.06731%0.306CS..EExtended strand (participates in β ladder)trans-106.5109.9-170-52.7172.8000108.7T1077 V1078 A1094 F1111 W1123 W1128T1077-I1092 CarbonylContact C-O 3.58Å; T1077-I1092 WeakPolarHBondContact CA-O 2.77Å; V1078-I1092 HydrophobicContact CB-CB 4.29Å; V1078-I1092 PolarHBondContact N-O 2.86Å; V1078-I1092 WeakPolarHBondContact O-CA 3.39Å; V1078-I1092 WeakPolarHBondContact O-CB 3.44Å; V1078-I1092 PolarHBondContact O-N 2.88Å; I1092-A1094 VanDerWaalsContact C-N 3.31Å; I1092-A1094 HydrophobicContact CG2-CB 4.42Å; I1092-A1094 PolarHBondContact O-N 3.03Å; I1092-F1111 HydrophobicContact CD1-CZ 3.8Å; I1092-W1123 HydrophobicContact CG2-CD2 4.44Å; I1092-W1123 HydrophobicContact CG2-CE3 3.88Å; I1092-W1123 HydrophobicContact CG2-CH2 3.73Å; I1092-W1123 HydrophobicContact CG2-CZ2 4.28Å; I1092-W1123 HydrophobicContact CG2-CZ3 3.49Å; I1092-W1123 VanDerWaalsContact CG2-CZ3 3.49Å; I1092-W1128 HydrophobicContact CD1-CB 3.94Å; I1092-W1128 HydrophobicContact CD1-CD2 4.17Å; I1092-W1128 HydrophobicContact CD1-CE3 3.57Å; I1092-W1128 HydrophobicContact CD1-CG 4.36Å; I1092-W1128 HydrophobicContact CD1-CZ3 4.45Å
1093K89.9Confident88.6Confident181 Ų18160.3 Ų60.379%0.78731%0.31SS*.EExtended strand (participates in β ladder)trans-75.985169.3-68-175.8179.7-179.80109.5T1077T1077-K1093 HydrophobicContact CG2-CG 4.28Å
1094A88.9Confident89Confident1 Ų159.7 Ų59.71%0.00831%0.306CS..  trans-77.8-44.9-171.600000112.2G1076 V1078 I1092 I1099 K1121 W1123G1076-A1094 PolarHBondContact O-N 2.91Å; G1076-A1094 VanDerWaalsContact O-N 3.16Å; V1078-A1094 HydrophobicContact CG2-CB 4.08Å; I1092-A1094 VanDerWaalsContact C-N 3.31Å; I1092-A1094 HydrophobicContact CG2-CB 4.42Å; I1092-A1094 PolarHBondContact O-N 3.03Å; A1094-I1099 HydrophobicContact CB-CD1 4.12Å; A1094-K1121 WeakPolarHBondContact O-CD 3.45Å; A1094-K1121 WeakPolarHBondContact O-CE 3.31Å; A1094-K1121 PolarHBondContact O-NZ 3.45Å; A1094-W1123 HydrophobicContact CB-CH2 4.26Å; A1094-W1123 HydrophobicContact CB-CZ2 3.56Å
1095H91.7Very high89.4Confident12 Ų1253.3 Ų53.36%0.05628%0.277CS..  trans-136.9162.8-172.1-69.6-87.9000112.2G1076 I1099 T1113 S1115 D1117 T1119G1076-H1095 PolarHBondContact O-N 3.26Å; H1095-I1099 HydrophobicContact CB-CG1 4.43Å; H1095-T1113 PolarHBondContact NE2-OG1 2.91Å; H1095-S1115 VanDerWaalsContact CG-CB 3.43Å; H1095-S1115 VanDerWaalsContact ND1-CB 3.35Å; H1095-S1115 WeakPolarHBondContact ND1-CB 3.42Å; H1095-D1117 IonicContact CE1-OD1 2.74Å; H1095-D1117 IonicContact CE1-OD2 3.42Å; H1095-D1117 IonicContact CG-OD2 3.72Å; H1095-D1117 IonicContact ND1-OD1 2.89Å; H1095-D1117 PolarHBondContact ND1-OD1 3.49Å; H1095-D1117 IonicContact ND1-OD2 3.73Å; H1095-D1117 PolarHBondContact ND1-OD2 3.29Å; H1095-T1119 PolarHBondContact CE1-OG1 2.96Å; H1095-T1119 PolarHBondContact ND1-OG1 2.89Å
1096Q85.9Confident89.6Confident191 Ų19153.6 Ų53.689%0.89328%0.278SS*.SBendtrans-86.7-27173.2-66.4-65.5-20.600112
1097G87.3Confident89.8Confident21 Ų2156.7 Ų56.722%0.21629%0.289CS..SBendtrans-104.8176.7175.200000112.6G1076 I1099 S1115G1076-G1097 WeakPolarHBondContact CA-O 3.42Å; G1097-I1099 PolarHBondContact O-N 3.15Å; G1097-S1115 PolarHBondContact O-OG 2.82Å
1098A90.6Very high89.7Confident24 Ų2451.6 Ų51.620%0.19827%0.273CS..  trans-57.1136.6179.900000112.5F1074 L1100 S1115 A1116F1074-A1098 HydrophobicContact CB-CB 3.96Å; F1074-A1098 HydrophobicContact CD1-CB 3.95Å; F1074-A1098 HydrophobicContact CG-CB 3.94Å; F1074-A1098 VanDerWaalsContact O-CA 3.31Å; F1074-A1098 WeakPolarHBondContact O-CA 3.35Å; A1098-L1100 HydrophobicContact CB-CD2 4.49Å; A1098-S1115 VanDerWaalsContact O-CA 3.26Å; A1098-S1115 WeakPolarHBondContact O-CA 3.23Å; A1098-S1115 WeakPolarHBondContact O-CB 3.25Å; A1098-S1115 PolarHBondContact O-OG 2.91Å; A1098-A1116 PolarHBondContact O-N 3.26Å
1099I93.5Very high89.6Confident0 Ų049.2 Ų49.20%027%0.268CS..EExtended strand (participates in β ladder)trans-84.6118.9172.3-59173.8000108.1W1072 S1073 V1078 A1094 H1095 G1097 T1114W1072-I1099 HydrophobicContact CB-CB 4.24Å; W1072-I1099 HydrophobicContact CB-CD1 4.25Å; W1072-I1099 HydrophobicContact CB-CG2 3.86Å; W1072-I1099 HydrophobicContact CG-CG2 3.98Å; S1073-I1099 PolarHBondContact O-N 3.39Å; V1078-I1099 HydrophobicContact CG2-CD1 3.52Å; A1094-I1099 HydrophobicContact CB-CD1 4.12Å; H1095-I1099 HydrophobicContact CB-CG1 4.43Å; G1097-I1099 PolarHBondContact O-N 3.15Å; I1099-T1114 WeakPolarHBondContact CA-O 3.36Å; I1099-T1114 WeakPolarHBondContact CG2-O 3.41Å
1100L91Very high89.7Confident34 Ų3447.1 Ų47.118%0.17826%0.257CS..EExtended strand (participates in β ladder)trans-92.7-35.7-173.7-60.6179.3000111.8F1074 A1098 T1114 A1116 C1140 R1142F1074-L1100 HydrophobicContact CE1-CD2 4.42Å; A1098-L1100 HydrophobicContact CB-CD2 4.49Å; L1100-T1114 PolarHBondContact N-O 2.74Å; L1100-A1116 HydrophobicContact CD1-CB 4.37Å; L1100-C1140 HydrophobicContact CD1-CB 4.23Å; L1100-R1142 HydrophobicContact CD1-CG 3.9Å
1101S90.9Very high89.9Confident28 Ų2843 Ų4320%0.19624%0.238CC..EExtended strand (participates in β ladder)trans-149.4155.5175.7-171.30000111.8T1114 R1142S1101-T1114 WeakPolarHBondContact CB-OG1 3.3Å; S1101-T1114 PolarHBondContact N-OG1 2.91Å; S1101-T1114 PolarHBondContact O-N 2.83Å; S1101-T1114 PolarHBondContact O-OG1 3.05Å; S1101-R1142 WeakPolarHBondContact CB-O 3.21Å
1102C92.8Very high90Very high7 Ų739.8 Ų39.85%0.04722%0.22CC..EExtended strand (participates in β ladder)trans-145.9142.4172.5-175.40000109L1070 W1072 A1112L1070-C1102 HydrophobicContact CD2-CB 4.44Å; L1070-C1102 WeakPolarHBondContact CD2-SG 3.33Å; W1072-C1102 HydrophobicContact CD2-CB 3.47Å; W1072-C1102 VanDerWaalsContact CD2-CB 3.47Å; W1072-C1102 HydrophobicContact CE3-CB 3.5Å; W1072-C1102 HydrophobicContact CG-CB 4.02Å; W1072-C1102 HydrophobicContact CH2-CB 3.94Å; W1072-C1102 WeakPolarHBondContact CH2-O 3.48Å; W1072-C1102 HydrophobicContact CZ2-CB 3.9Å; W1072-C1102 HydrophobicContact CZ3-CB 3.74Å; C1102-A1112 WeakPolarHBondContact CA-O 3.36Å; C1102-A1112 PolarHBondContact SG-O 3.02Å
1103H92.8Very high90.1Very high48 Ų4839.2 Ų39.222%0.22222%0.217CC..EExtended strand (participates in β ladder)trans-140137.5177.8-163.2-87.2000110.1F1111 A1112 F1146H1103-F1111 WeakPolarHBondContact O-CA 3.48Å; H1103-A1112 PolarHBondContact N-O 2.81Å; H1103-A1112 VanDerWaalsContact N-O 3.07Å; H1103-A1112 PolarHBondContact O-N 3.03Å; H1103-F1146 HydrophobicContact CB-CD2 4.46Å; H1103-F1146 AromaticContact ND1-CD2 3.78Å; H1103-F1146 VanDerWaalsContact O-CE2 3.3Å; H1103-F1146 WeakPolarHBondContact O-CE2 3.08Å
1104V91.4Very high90.3Very high13 Ų1330.6 Ų30.68%0.07918%0.18CC..EExtended strand (participates in β ladder)trans-88.7144.4174.4-175.80000108.9L1060 F1111L1060-V1104 HydrophobicContact CD2-CG1 4.4Å; V1104-F1111 HydrophobicContact CG2-CB 4.28Å
1105S90.9Very high90.5Very high4 Ų430.5 Ų30.53%0.02818%0.179CC..  trans-71146.6175.658.60000110.8D1107 G1108 C1109 L1110S1105-D1107 VanDerWaalsContact CB-OD1 3.26Å; S1105-D1107 WeakPolarHBondContact CB-OD1 3.16Å; S1105-D1107 PolarHBondContact O-N 2.65Å; S1105-D1107 VanDerWaalsContact O-N 3.08Å; S1105-D1107 PolarHBondContact OG-OD1 3.02Å; S1105-G1108 WeakPolarHBondContact O-CA 3.42Å; S1105-G1108 PolarHBondContact O-N 3.31Å; S1105-C1109 PolarHBondContact OG-N 3.5Å; S1105-L1110 PolarHBondContact N-O 3.3Å; S1105-L1110 PolarHBondContact OG-N 3.14Å; S1105-L1110 PolarHBondContact OG-O 2.77Å
1106P87.2Confident90.4Very high67 Ų6731.7 Ų31.744%0.43519%0.191SC..THydrogen-bonded Turntrans-57.6-23.4179.6-28.334.5000115.4G1108 S1150P1106-G1108 VanDerWaalsContact C-N 3.28Å; P1106-S1150 WeakPolarHBondContact CD-OG 3.48Å
1107D84.4Confident90.6Very high83 Ų8325 Ų2544%0.44416%0.162SC..THydrogen-bonded Turntrans-83.40.2174.36210.2000113.7S1105 C1109 S1150S1105-D1107 VanDerWaalsContact CB-OD1 3.26Å; S1105-D1107 WeakPolarHBondContact CB-OD1 3.16Å; S1105-D1107 PolarHBondContact O-N 2.65Å; S1105-D1107 VanDerWaalsContact O-N 3.08Å; S1105-D1107 PolarHBondContact OG-OD1 3.02Å; D1107-C1109 PolarHBondContact O-N 3.17Å; D1107-C1109 VanDerWaalsContact O-N 3.1Å; D1107-C1109 PolarHBondContact O-SG 3.34Å; D1107-C1109 VanDerWaalsContact O-SG 3.34Å; D1107-C1109 WeakPolarHBondContact OD1-CB 3.34Å; D1107-C1109 PolarHBondContact OD1-N 3.23Å; D1107-S1150 VanDerWaalsContact CG-OG 3.22Å; D1107-S1150 PolarHBondContact N-OG 2.54Å; D1107-S1150 WeakPolarHBondContact OD2-CB 3.45Å; D1107-S1150 PolarHBondContact OD2-OG 2.88Å
1108G84Confident90.8Very high26 Ų2628.6 Ų28.627%0.26817%0.171SC..SBendtrans64.98-178.300000114.8S1105 P1106 C1125S1105-G1108 WeakPolarHBondContact O-CA 3.42Å; S1105-G1108 PolarHBondContact O-N 3.31Å; P1106-G1108 VanDerWaalsContact C-N 3.28Å; G1108-C1125 VanDerWaalsContact O-CB 3.26Å; G1108-C1125 WeakPolarHBondContact O-CB 3.28Å; G1108-C1125 PolarHBondContact O-SG 3.28Å; G1108-C1125 VanDerWaalsContact O-SG 3.39Å
1109C86.9Confident90.9Very high48 Ų4828.5 Ų28.532%0.32417%0.168SC..SBendtrans-90.4-28.5-171.5-70.60000113.6S1105 D1107 C1125S1105-C1109 PolarHBondContact OG-N 3.5Å; D1107-C1109 PolarHBondContact O-N 3.17Å; D1107-C1109 VanDerWaalsContact O-N 3.1Å; D1107-C1109 PolarHBondContact O-SG 3.34Å; D1107-C1109 VanDerWaalsContact O-SG 3.34Å; D1107-C1109 WeakPolarHBondContact OD1-CB 3.34Å; D1107-C1109 PolarHBondContact OD1-N 3.23Å; C1109-C1125 PolarHBondContact O-N 3.4Å
1110L91.3Very high90.9Very high35 Ų3528.6 Ų28.618%0.18317%0.169CC..EExtended strand (participates in β ladder)trans-131157.9-175.2-61.7173.7000111S1105 W1123 C1125 V1131 F1146 V1167S1105-L1110 PolarHBondContact N-O 3.3Å; S1105-L1110 PolarHBondContact OG-N 3.14Å; S1105-L1110 PolarHBondContact OG-O 2.77Å; L1110-W1123 CarbonylContact C-O 3.57Å; L1110-W1123 WeakPolarHBondContact CA-O 3.32Å; L1110-W1123 WeakPolarHBondContact CD2-O 3.33Å; L1110-C1125 VanDerWaalsContact C-SG 3.53Å; L1110-V1131 HydrophobicContact CD2-CG2 4.27Å; L1110-F1146 HydrophobicContact CB-CZ 4.17Å; L1110-V1167 HydrophobicContact CD1-CG1 3.26Å
1111F93.1Very high91.1Very high0 Ų029 Ų290%017%0.169CC..EExtended strand (participates in β ladder)trans-138.4151.2165.268.1-84.3000110.6L1070 V1078 I1092 H1103 V1104 T1113 W1123 W1128L1070-F1111 HydrophobicContact CD1-CD1 4.35Å; L1070-F1111 HydrophobicContact CD1-CD2 4.21Å; L1070-F1111 HydrophobicContact CD1-CE1 4.42Å; L1070-F1111 HydrophobicContact CD1-CE2 4.28Å; L1070-F1111 HydrophobicContact CD1-CG 4.23Å; L1070-F1111 HydrophobicContact CD1-CZ 4.38Å; L1070-F1111 HydrophobicContact CD2-CD2 4.44Å; V1078-F1111 HydrophobicContact CG1-CE2 4.2Å; I1092-F1111 HydrophobicContact CD1-CZ 3.8Å; H1103-F1111 WeakPolarHBondContact O-CA 3.48Å; V1104-F1111 HydrophobicContact CG2-CB 4.28Å; F1111-T1113 HydrophobicContact CD2-CG2 3.98Å; F1111-T1113 HydrophobicContact CE2-CG2 3.92Å; F1111-W1123 HydrophobicContact CD1-CB 3.66Å; F1111-W1123 HydrophobicContact CD2-CB 3.96Å; F1111-W1123 AromaticContact CD2-CD1 3.85Å; F1111-W1123 HydrophobicContact CD2-CG 4.12Å; F1111-W1123 HydrophobicContact CE1-CB 3.2Å; F1111-W1123 HydrophobicContact CE1-CG 4.04Å; F1111-W1123 HydrophobicContact CE2-CB 3.53Å; F1111-W1123 AromaticContact CE2-CD1 3.43Å; F1111-W1123 VanDerWaalsContact CE2-CD1 3.43Å; F1111-W1123 HydrophobicContact CE2-CD2 4.24Å; F1111-W1123 AromaticContact CE2-CG 3.47Å; F1111-W1123 HydrophobicContact CE2-CG 3.47Å; F1111-W1123 VanDerWaalsContact CE2-CG 3.47Å; F1111-W1123 HydrophobicContact CG-CB 4.03Å; F1111-W1123 HydrophobicContact CZ-CB 3.14Å; F1111-W1123 AromaticContact CZ-CD1 3.91Å; F1111-W1123 HydrophobicContact CZ-CD2 4.07Å; F1111-W1123 AromaticContact CZ-CG 3.43Å; F1111-W1123 HydrophobicContact CZ-CG 3.43Å; F1111-W1123 VanDerWaalsContact CZ-CG 3.43Å; F1111-W1123 PolarHBondContact N-O 2.7Å; F1111-W1123 PolarHBondContact O-N 2.95Å; F1111-W1128 HydrophobicContact CD1-CE3 4.49Å; F1111-W1128 HydrophobicContact CD1-CZ3 4.11Å; F1111-W1128 AromaticContact CE1-CE3 3.51Å; F1111-W1128 HydrophobicContact CE1-CE3 3.51Å; F1111-W1128 AromaticContact CE1-CZ3 3.52Å; F1111-W1128 HydrophobicContact CE1-CZ3 3.52Å; F1111-W1128 HydrophobicContact CZ-CE3 4.02Å; F1111-W1128 HydrophobicContact CZ-CZ3 4.19Å
1112A93.9Very high91.3Very high0 Ų027.8 Ų27.80%016%0.16CC..EExtended strand (participates in β ladder)trans-115138.1-179.500000109.8C1102 H1103 K1121 L1122 F1146 L1153C1102-A1112 WeakPolarHBondContact CA-O 3.36Å; C1102-A1112 PolarHBondContact SG-O 3.02Å; H1103-A1112 PolarHBondContact N-O 2.81Å; H1103-A1112 VanDerWaalsContact N-O 3.07Å; H1103-A1112 PolarHBondContact O-N 3.03Å; A1112-K1121 CarbonylContact C-O 3.57Å; A1112-K1121 WeakPolarHBondContact CA-O 3.34Å; A1112-L1122 HydrophobicContact CB-CD2 3.84Å; A1112-F1146 HydrophobicContact CB-CE2 3.66Å; A1112-F1146 HydrophobicContact CB-CZ 3.86Å; A1112-L1153 HydrophobicContact CB-CD1 3.69Å; A1112-L1153 HydrophobicContact CB-CD2 4.05Å
1113T94.1Very high91.3Very high0 Ų028.4 Ų28.40%016%0.162CC..EExtended strand (participates in β ladder)trans-120.8132.9175.757.50000109.8V1078 H1095 F1111 T1120 K1121 W1123V1078-T1113 HydrophobicContact CG2-CG2 3.68Å; H1095-T1113 PolarHBondContact NE2-OG1 2.91Å; F1111-T1113 HydrophobicContact CD2-CG2 3.98Å; F1111-T1113 HydrophobicContact CE2-CG2 3.92Å; T1113-T1120 CarbonylContact O-C 3.48Å; T1113-T1120 VanDerWaalsContact O-CA 3.28Å; T1113-T1120 WeakPolarHBondContact O-CA 3.44Å; T1113-T1120 WeakPolarHBondContact O-CG2 3.46Å; T1113-K1121 PolarHBondContact N-O 2.75Å; T1113-K1121 PolarHBondContact O-N 2.95Å; T1113-K1121 PolarHBondContact OG1-O 3.39Å; T1113-W1123 PolarHBondContact OG1-NE1 2.69Å
1114T92.8Very high91.2Very high0 Ų027.1 Ų27.10%016%0.158CC..EExtended strand (participates in β ladder)trans-115.9143.7174.267.20000111I1099 L1100 S1101 T1120 V1141 C1144I1099-T1114 WeakPolarHBondContact CA-O 3.36Å; I1099-T1114 WeakPolarHBondContact CG2-O 3.41Å; L1100-T1114 PolarHBondContact N-O 2.74Å; S1101-T1114 WeakPolarHBondContact CB-OG1 3.3Å; S1101-T1114 PolarHBondContact N-OG1 2.91Å; S1101-T1114 PolarHBondContact O-N 2.83Å; S1101-T1114 PolarHBondContact O-OG1 3.05Å; T1114-T1120 HydrophobicContact CG2-CG2 3.85Å; T1114-V1141 WeakPolarHBondContact CB-O 3.46Å; T1114-V1141 HydrophobicContact CG2-CB 4.3Å; T1114-V1141 HydrophobicContact CG2-CG1 3.57Å; T1114-V1141 PolarHBondContact OG1-O 3.4Å; T1114-C1144 HydrophobicContact CG2-CB 3.42Å; T1114-C1144 VanDerWaalsContact CG2-CB 3.42Å
1115S93.3Very high91Very high0 Ų026.9 Ų26.90%016%0.157CC..EExtended strand (participates in β ladder)trans-136.6159.3-173.1-179.60000113.4H1095 G1097 A1098 D1117 K1118 T1119 V1141H1095-S1115 VanDerWaalsContact CG-CB 3.43Å; H1095-S1115 VanDerWaalsContact ND1-CB 3.35Å; H1095-S1115 WeakPolarHBondContact ND1-CB 3.42Å; G1097-S1115 PolarHBondContact O-OG 2.82Å; A1098-S1115 VanDerWaalsContact O-CA 3.26Å; A1098-S1115 WeakPolarHBondContact O-CA 3.23Å; A1098-S1115 WeakPolarHBondContact O-CB 3.25Å; A1098-S1115 PolarHBondContact O-OG 2.91Å; S1115-D1117 WeakPolarHBondContact CB-OD1 2.86Å; S1115-D1117 PolarHBondContact O-N 3.39Å; S1115-D1117 PolarHBondContact OG-N 2.81Å; S1115-D1117 VanDerWaalsContact OG-N 3.15Å; S1115-K1118 PolarHBondContact O-N 3.11Å; S1115-T1119 PolarHBondContact N-O 3.02Å; S1115-V1141 PolarHBondContact O-N 2.77Å; S1115-V1141 VanDerWaalsContact O-N 3.13Å
1116A91Very high90.7Very high37 Ų3735 Ų3531%0.30619%0.192SC..THydrogen-bonded Turntrans-61.3-13.9165.100000113.1A1098 L1100 K1118 C1140A1098-A1116 PolarHBondContact O-N 3.26Å; L1100-A1116 HydrophobicContact CD1-CB 4.37Å; A1116-K1118 PolarHBondContact O-N 3.19Å; A1116-K1118 VanDerWaalsContact O-N 3.11Å; A1116-C1140 PolarHBondContact O-SG 2.86Å
1117D90.1Very high90.6Very high51 Ų5134.8 Ų34.827%0.27319%0.192SC..THydrogen-bonded Turntrans-73.59172.476.78.3000114.4H1095 S1115 T1119H1095-D1117 IonicContact CE1-OD1 2.74Å; H1095-D1117 IonicContact CE1-OD2 3.42Å; H1095-D1117 IonicContact CG-OD2 3.72Å; H1095-D1117 IonicContact ND1-OD1 2.89Å; H1095-D1117 PolarHBondContact ND1-OD1 3.49Å; H1095-D1117 IonicContact ND1-OD2 3.73Å; H1095-D1117 PolarHBondContact ND1-OD2 3.29Å; S1115-D1117 WeakPolarHBondContact CB-OD1 2.86Å; S1115-D1117 PolarHBondContact O-N 3.39Å; S1115-D1117 PolarHBondContact OG-N 2.81Å; S1115-D1117 VanDerWaalsContact OG-N 3.15Å; D1117-T1119 PolarHBondContact O-N 3.14Å; D1117-T1119 WeakPolarHBondContact OD1-CB 3.38Å; D1117-T1119 PolarHBondContact OD1-N 2.92Å; D1117-T1119 PolarHBondContact OD1-OG1 2.97Å; D1117-T1119 PolarHBondContact OD2-OG1 2.81Å
1118K90.9Very high90.8Very high96 Ų9632.8 Ų32.842%0.41718%0.178SC..SBendtrans68.710.9178.4-44.3-178.4172.3-163.10114.3S1115 A1116 L1138 D1139S1115-K1118 PolarHBondContact O-N 3.11Å; A1116-K1118 PolarHBondContact O-N 3.19Å; A1116-K1118 VanDerWaalsContact O-N 3.11Å; K1118-L1138 WeakPolarHBondContact CD-O 3.34Å; K1118-L1138 WeakPolarHBondContact CE-O 3.28Å; K1118-L1138 PolarHBondContact NZ-O 3.38Å; K1118-D1139 WeakPolarHBondContact CB-O 3.28Å
1119T92.4Very high91.1Very high22 Ų2238.1 Ų38.114%0.13520%0.196CC..EExtended strand (participates in β ladder)trans-116.1153.5179.374.20000112.4H1095 S1115 D1117 R1135H1095-T1119 PolarHBondContact CE1-OG1 2.96Å; H1095-T1119 PolarHBondContact ND1-OG1 2.89Å; S1115-T1119 PolarHBondContact N-O 3.02Å; D1117-T1119 PolarHBondContact O-N 3.14Å; D1117-T1119 WeakPolarHBondContact OD1-CB 3.38Å; D1117-T1119 PolarHBondContact OD1-N 2.92Å; D1117-T1119 PolarHBondContact OD1-OG1 2.97Å; D1117-T1119 PolarHBondContact OD2-OG1 2.81Å; T1119-R1135 HydrophobicContact CG2-CG 4.32Å
1120T94.6Very high91.4Very high1 Ų138.3 Ų38.31%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-116.8132.5168.7-57.20000108.6T1113 T1114 L1134 L1153 T1155T1113-T1120 CarbonylContact O-C 3.48Å; T1113-T1120 VanDerWaalsContact O-CA 3.28Å; T1113-T1120 WeakPolarHBondContact O-CA 3.44Å; T1113-T1120 WeakPolarHBondContact O-CG2 3.46Å; T1114-T1120 HydrophobicContact CG2-CG2 3.85Å; T1120-L1134 HydrophobicContact CG2-CD1 4.15Å; T1120-L1134 PolarHBondContact N-O 2.69Å; T1120-L1134 VanDerWaalsContact N-O 3.14Å; T1120-L1134 WeakPolarHBondContact O-CA 3.24Å; T1120-L1134 WeakPolarHBondContact O-CB 3.16Å; T1120-L1134 PolarHBondContact O-N 3.11Å; T1120-L1153 HydrophobicContact CG2-CD2 3.95Å; T1120-T1155 HydrophobicContact CG2-CG2 3.85Å
1121K94.8Very high91.4Very high44 Ų4439.9 Ų39.919%0.19121%0.208CC..EExtended strand (participates in β ladder)trans-116139.7177.1-69179-176.91800111.2A1094 A1112 T1113 W1123 F1132 T1133A1094-K1121 WeakPolarHBondContact O-CD 3.45Å; A1094-K1121 WeakPolarHBondContact O-CE 3.31Å; A1094-K1121 PolarHBondContact O-NZ 3.45Å; A1112-K1121 CarbonylContact C-O 3.57Å; A1112-K1121 WeakPolarHBondContact CA-O 3.34Å; T1113-K1121 PolarHBondContact N-O 2.75Å; T1113-K1121 PolarHBondContact O-N 2.95Å; T1113-K1121 PolarHBondContact OG1-O 3.39Å; K1121-W1123 HydrophobicContact CB-CZ2 4.09Å; K1121-W1123 HydrophobicContact CD-CZ2 3.77Å; K1121-F1132 WeakPolarHBondContact CA-O 3.49Å; K1121-T1133 HydrophobicContact CG-CG2 4.08Å
1122L94.2Very high91.4Very high1 Ų142.8 Ų42.81%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-104.1137.8172.9-77.6168.5000109.6A1112 C1130 V1131 F1132 L1134 F1146 L1153A1112-L1122 HydrophobicContact CB-CD2 3.84Å; L1122-C1130 CarbonylContact O-C 3.6Å; L1122-C1130 WeakPolarHBondContact O-CA 3.19Å; L1122-V1131 PolarHBondContact O-N 3.27Å; L1122-F1132 HydrophobicContact CB-CB 4.28Å; L1122-F1132 HydrophobicContact CD1-CB 4.35Å; L1122-F1132 HydrophobicContact CD1-CD2 4.12Å; L1122-F1132 PolarHBondContact N-O 3.41Å; L1122-F1132 PolarHBondContact O-N 3.34Å; L1122-L1134 HydrophobicContact CD1-CD1 4.07Å; L1122-L1134 HydrophobicContact CG-CD1 4.34Å; L1122-F1146 HydrophobicContact CD2-CE1 3.76Å; L1122-F1146 HydrophobicContact CD2-CE2 4.46Å; L1122-F1146 HydrophobicContact CD2-CZ 3.37Å; L1122-L1153 HydrophobicContact CD2-CD2 4.12Å; L1122-L1153 HydrophobicContact CG-CD2 4.38Å
1123W93.3Very high91.3Very high20 Ų2045.6 Ų45.68%0.07624%0.238CC..EExtended strand (participates in β ladder)trans-134.3151.5-173.1-57.186.8000110.9I1092 A1094 L1110 F1111 T1113 K1121 Q1129 C1130I1092-W1123 HydrophobicContact CG2-CD2 4.44Å; I1092-W1123 HydrophobicContact CG2-CE3 3.88Å; I1092-W1123 HydrophobicContact CG2-CH2 3.73Å; I1092-W1123 HydrophobicContact CG2-CZ2 4.28Å; I1092-W1123 HydrophobicContact CG2-CZ3 3.49Å; I1092-W1123 VanDerWaalsContact CG2-CZ3 3.49Å; A1094-W1123 HydrophobicContact CB-CH2 4.26Å; A1094-W1123 HydrophobicContact CB-CZ2 3.56Å; L1110-W1123 CarbonylContact C-O 3.57Å; L1110-W1123 WeakPolarHBondContact CA-O 3.32Å; L1110-W1123 WeakPolarHBondContact CD2-O 3.33Å; F1111-W1123 HydrophobicContact CD1-CB 3.66Å; F1111-W1123 HydrophobicContact CD2-CB 3.96Å; F1111-W1123 AromaticContact CD2-CD1 3.85Å; F1111-W1123 HydrophobicContact CD2-CG 4.12Å; F1111-W1123 HydrophobicContact CE1-CB 3.2Å; F1111-W1123 HydrophobicContact CE1-CG 4.04Å; F1111-W1123 HydrophobicContact CE2-CB 3.53Å; F1111-W1123 AromaticContact CE2-CD1 3.43Å; F1111-W1123 VanDerWaalsContact CE2-CD1 3.43Å; F1111-W1123 HydrophobicContact CE2-CD2 4.24Å; F1111-W1123 AromaticContact CE2-CG 3.47Å; F1111-W1123 HydrophobicContact CE2-CG 3.47Å; F1111-W1123 VanDerWaalsContact CE2-CG 3.47Å; F1111-W1123 HydrophobicContact CG-CB 4.03Å; F1111-W1123 HydrophobicContact CZ-CB 3.14Å; F1111-W1123 AromaticContact CZ-CD1 3.91Å; F1111-W1123 HydrophobicContact CZ-CD2 4.07Å; F1111-W1123 AromaticContact CZ-CG 3.43Å; F1111-W1123 HydrophobicContact CZ-CG 3.43Å; F1111-W1123 VanDerWaalsContact CZ-CG 3.43Å; F1111-W1123 PolarHBondContact N-O 2.7Å; F1111-W1123 PolarHBondContact O-N 2.95Å; T1113-W1123 PolarHBondContact OG1-NE1 2.69Å; K1121-W1123 HydrophobicContact CB-CZ2 4.09Å; K1121-W1123 HydrophobicContact CD-CZ2 3.77Å; W1123-Q1129 WeakPolarHBondContact CA-O 3.4Å; W1123-Q1129 VanDerWaalsContact CE3-C 3.5Å; W1123-C1130 HydrophobicContact CD2-CB 4.11Å; W1123-C1130 HydrophobicContact CE3-CB 3.74Å; W1123-C1130 VanDerWaalsContact CE3-N 3.25Å; W1123-C1130 HydrophobicContact CH2-CB 3.79Å; W1123-C1130 HydrophobicContact CZ2-CB 4.16Å; W1123-C1130 HydrophobicContact CZ3-CB 3.57Å
1124S90.9Very high91.2Very high22 Ų2245.9 Ų45.915%0.15424%0.239CC..EExtended strand (participates in β ladder)trans-88.9131.1172.7-178.30000111.7K1126 S1127 W1128 Q1129S1124-K1126 PolarHBondContact O-N 2.77Å; S1124-K1126 PolarHBondContact OG-N 2.78Å; S1124-S1127 WeakPolarHBondContact CB-OG 3.35Å; S1124-W1128 WeakPolarHBondContact O-CA 3.2Å; S1124-W1128 PolarHBondContact O-N 2.85Å; S1124-Q1129 PolarHBondContact N-O 2.72Å
1125C86.1Confident91.1Very high7 Ų755 Ų555%0.04727%0.274CS..THydrogen-bonded Turntrans-71.4-14.5173.3-61.50000113.2L1060 G1108 C1109 L1110 W1128L1060-C1125 HydrophobicContact CD2-CB 4.16Å; G1108-C1125 VanDerWaalsContact O-CB 3.26Å; G1108-C1125 WeakPolarHBondContact O-CB 3.28Å; G1108-C1125 PolarHBondContact O-SG 3.28Å; G1108-C1125 VanDerWaalsContact O-SG 3.39Å; C1109-C1125 PolarHBondContact O-N 3.4Å; L1110-C1125 VanDerWaalsContact C-SG 3.53Å; C1125-W1128 HydrophobicContact CB-CH2 4.48Å; C1125-W1128 VanDerWaalsContact O-CZ2 3.27Å; C1125-W1128 WeakPolarHBondContact O-CZ2 3.4Å
1126K84.9Confident90.6Very high176 Ų17656.5 Ų56.577%0.76529%0.29SS*.THydrogen-bonded Turntrans-89.1-47.3178.7-68.7-176.7-179.8177.60112S1124S1124-K1126 PolarHBondContact O-N 2.77Å; S1124-K1126 PolarHBondContact OG-N 2.78Å
1127S86.4Confident90.4Very high62 Ų6255.4 Ų55.443%0.43428%0.278SS..THydrogen-bonded Turntrans-100.1-14-176.665.20000114.2S1124 Q1129S1124-S1127 WeakPolarHBondContact CB-OG 3.35Å; S1127-Q1129 PolarHBondContact O-N 2.85Å; S1127-Q1129 VanDerWaalsContact O-N 3.14Å
1128W88.8Confident90.1Very high41 Ų4158.9 Ų58.916%0.15530%0.296CS..  trans58.818.6-174.2-53.1104.8000114.5L1060 L1070 V1080 Q1090 I1092 F1111 S1124 C1125L1060-W1128 HydrophobicContact CD1-CH2 3.88Å; L1060-W1128 HydrophobicContact CD2-CH2 4Å; L1070-W1128 HydrophobicContact CD1-CZ3 3.96Å; V1080-W1128 HydrophobicContact CB-CH2 4.31Å; V1080-W1128 HydrophobicContact CB-CZ2 4.42Å; V1080-W1128 HydrophobicContact CG1-CH2 3.89Å; V1080-W1128 HydrophobicContact CG1-CZ2 3.94Å; V1080-W1128 HydrophobicContact CG2-CD2 4.21Å; V1080-W1128 HydrophobicContact CG2-CE3 3.8Å; V1080-W1128 HydrophobicContact CG2-CH2 3.45Å; V1080-W1128 VanDerWaalsContact CG2-CH2 3.45Å; V1080-W1128 HydrophobicContact CG2-CZ2 3.87Å; V1080-W1128 HydrophobicContact CG2-CZ3 3.41Å; V1080-W1128 VanDerWaalsContact CG2-CZ3 3.41Å; Q1090-W1128 HydrophobicContact CG-CD2 4.26Å; Q1090-W1128 HydrophobicContact CG-CG 3.93Å; I1092-W1128 HydrophobicContact CD1-CB 3.94Å; I1092-W1128 HydrophobicContact CD1-CD2 4.17Å; I1092-W1128 HydrophobicContact CD1-CE3 3.57Å; I1092-W1128 HydrophobicContact CD1-CG 4.36Å; I1092-W1128 HydrophobicContact CD1-CZ3 4.45Å; F1111-W1128 HydrophobicContact CD1-CE3 4.49Å; F1111-W1128 HydrophobicContact CD1-CZ3 4.11Å; F1111-W1128 AromaticContact CE1-CE3 3.51Å; F1111-W1128 HydrophobicContact CE1-CE3 3.51Å; F1111-W1128 AromaticContact CE1-CZ3 3.52Å; F1111-W1128 HydrophobicContact CE1-CZ3 3.52Å; F1111-W1128 HydrophobicContact CZ-CE3 4.02Å; F1111-W1128 HydrophobicContact CZ-CZ3 4.19Å; S1124-W1128 WeakPolarHBondContact O-CA 3.2Å; S1124-W1128 PolarHBondContact O-N 2.85Å; C1125-W1128 HydrophobicContact CB-CH2 4.48Å; C1125-W1128 VanDerWaalsContact O-CZ2 3.27Å; C1125-W1128 WeakPolarHBondContact O-CZ2 3.4Å
1129Q89.9Confident89.9Confident138 Ų13856.5 Ų56.565%0.64529%0.288SS*.  trans-95.4150177.1-67.5-179.6-12.500111.4W1123 S1124 S1127 V1131W1123-Q1129 WeakPolarHBondContact CA-O 3.4Å; W1123-Q1129 VanDerWaalsContact CE3-C 3.5Å; S1124-Q1129 PolarHBondContact N-O 2.72Å; S1127-Q1129 PolarHBondContact O-N 2.85Å; S1127-Q1129 VanDerWaalsContact O-N 3.14Å; Q1129-V1131 PolarHBondContact O-N 2.54Å
1130C91.8Very high89.8Confident52 Ų5256.7 Ų56.735%0.35129%0.29SS..EExtended strand (participates in β ladder)trans-72.1120.5174.6-174.80000109.1L1122 W1123 F1132L1122-C1130 CarbonylContact O-C 3.6Å; L1122-C1130 WeakPolarHBondContact O-CA 3.19Å; W1123-C1130 HydrophobicContact CD2-CB 4.11Å; W1123-C1130 HydrophobicContact CE3-CB 3.74Å; W1123-C1130 VanDerWaalsContact CE3-N 3.25Å; W1123-C1130 HydrophobicContact CH2-CB 3.79Å; W1123-C1130 HydrophobicContact CZ2-CB 4.16Å; W1123-C1130 HydrophobicContact CZ3-CB 3.57Å; C1130-F1132 PolarHBondContact SG-O 2.71Å; C1130-F1132 VanDerWaalsContact SG-O 3.4Å
1131V92.5Very high89.8Confident68 Ų6856.6 Ų56.641%0.41229%0.289SS..EExtended strand (participates in β ladder)trans-84.4-49177.3-173.10000109.8L1110 L1122 Q1129L1110-V1131 HydrophobicContact CD2-CG2 4.27Å; L1122-V1131 PolarHBondContact O-N 3.27Å; Q1129-V1131 PolarHBondContact O-N 2.54Å
1132F91.9Very high89.5Confident60 Ų6058.1 Ų58.126%0.26329%0.294SS..EExtended strand (participates in β ladder)trans-139.7145.3-179-61.3-64.9000111.8K1121 L1122 C1130 L1134 K1168K1121-F1132 WeakPolarHBondContact CA-O 3.49Å; L1122-F1132 HydrophobicContact CB-CB 4.28Å; L1122-F1132 HydrophobicContact CD1-CB 4.35Å; L1122-F1132 HydrophobicContact CD1-CD2 4.12Å; L1122-F1132 PolarHBondContact N-O 3.41Å; L1122-F1132 PolarHBondContact O-N 3.34Å; C1130-F1132 PolarHBondContact SG-O 2.71Å; C1130-F1132 VanDerWaalsContact SG-O 3.4Å; F1132-L1134 HydrophobicContact CB-CD2 4.19Å; F1132-K1168 WeakPolarHBondContact CE2-O 3.29Å; F1132-K1168 WeakPolarHBondContact CZ-O 3.39Å
1133T92.8Very high89.4Confident59 Ų5958.2 Ų58.236%0.36230%0.295SS..EExtended strand (participates in β ladder)trans-111.3106.5166.2-600000108.6K1121 R1135K1121-T1133 HydrophobicContact CG-CG2 4.08Å; T1133-R1135 HydrophobicContact CG2-CG 4.12Å
1134L92.8Very high89.5Confident6 Ų657.7 Ų57.73%0.03129%0.294CS..EExtended strand (participates in β ladder)trans-84.1113.1-179.3-49.2175.8000108.8T1120 L1122 F1132 L1153 W1165 G1170T1120-L1134 HydrophobicContact CG2-CD1 4.15Å; T1120-L1134 PolarHBondContact N-O 2.69Å; T1120-L1134 VanDerWaalsContact N-O 3.14Å; T1120-L1134 WeakPolarHBondContact O-CA 3.24Å; T1120-L1134 WeakPolarHBondContact O-CB 3.16Å; T1120-L1134 PolarHBondContact O-N 3.11Å; L1122-L1134 HydrophobicContact CD1-CD1 4.07Å; L1122-L1134 HydrophobicContact CG-CD1 4.34Å; F1132-L1134 HydrophobicContact CB-CD2 4.19Å; L1134-L1153 HydrophobicContact CD1-CD2 3.67Å; L1134-W1165 HydrophobicContact CB-CD2 4.19Å; L1134-W1165 HydrophobicContact CB-CE3 4.17Å; L1134-W1165 HydrophobicContact CB-CH2 4.23Å; L1134-W1165 HydrophobicContact CB-CZ2 4.23Å; L1134-W1165 HydrophobicContact CB-CZ3 4.18Å; L1134-W1165 HydrophobicContact CD1-CB 4.06Å; L1134-W1165 HydrophobicContact CD1-CD2 3.9Å; L1134-W1165 HydrophobicContact CD1-CE3 4.36Å; L1134-W1165 HydrophobicContact CD1-CG 3.74Å; L1134-W1165 HydrophobicContact CD2-CD2 4.26Å; L1134-W1165 HydrophobicContact CD2-CE3 3.87Å; L1134-W1165 HydrophobicContact CD2-CZ3 4.38Å; L1134-W1165 HydrophobicContact CG-CD2 4.34Å; L1134-W1165 HydrophobicContact CG-CE3 4.35Å; L1134-G1170 WeakPolarHBondContact CD2-O 3.34Å
1135R89.3Confident89.7Confident192 Ų19259.3 Ų59.373%0.72530%0.297SS*.EExtended strand (participates in β ladder)trans-112.5142.2179.9-61.2-174.1-179-152.60.2110.1T1119 T1133 W1165T1119-R1135 HydrophobicContact CG2-CG 4.32Å; T1133-R1135 HydrophobicContact CG2-CG 4.12Å; R1135-W1165 WeakPolarHBondContact O-CH2 3.31Å
1136G82.4Confident90.1Very high32 Ų3259.2 Ų59.233%0.3330%0.296SS..  trans149.7-13.416400000115.6R1163G1136-R1163 PolarHBondContact O-NH1 3Å; G1136-R1163 PolarHBondContact O-NH2 3.34Å
1137H87.9Confident90.5Very high13 Ų1350.9 Ų50.96%0.0626%0.259CS..  trans-60.7139.3167.1-77.5-77000109.9D1139 V1141 T1155 D1157H1137-D1139 VanDerWaalsContact C-N 3.35Å; H1137-V1141 HydrophobicContact CB-CG2 3.76Å; H1137-T1155 PolarHBondContact NE2-OG1 3.19Å; H1137-D1157 HydrophobicContact CB-CB 4.43Å; H1137-D1157 IonicContact CE1-OD2 2.8Å; H1137-D1157 IonicContact CG-OD2 2.68Å; H1137-D1157 WeakPolarHBondContact ND1-CB 3.22Å; H1137-D1157 IonicContact ND1-OD2 2.65Å; H1137-D1157 PolarHBondContact ND1-OD2 3.3Å
1138L84.4Confident90.6Very high124 Ų12455.1 Ų55.165%0.64927%0.266SS*.SBendtrans-82.1-19.6179.9-63.8177000112.2K1118K1118-L1138 WeakPolarHBondContact CD-O 3.34Å; K1118-L1138 WeakPolarHBondContact CE-O 3.28Å; K1118-L1138 PolarHBondContact NZ-O 3.38Å
1139D86.3Confident90.7Very high47 Ų4756.4 Ų56.425%0.25128%0.276SS..SBendtrans-134.8-176.7-178.8-146.3-20.5000112.5K1118 H1137 D1158K1118-D1139 WeakPolarHBondContact CB-O 3.28Å; H1137-D1139 VanDerWaalsContact C-N 3.35Å; D1139-D1158 HydrophobicContact CB-CB 4.2Å
1140C90.5Very high90.7Very high25 Ų2550.4 Ų50.417%0.16925%0.249CC..  trans-56.5135-176.9-60.30000111.4L1100 A1116 D1157 D1158L1100-C1140 HydrophobicContact CD1-CB 4.23Å; A1116-C1140 PolarHBondContact O-SG 2.86Å; C1140-D1157 CarbonylContact O-C 3.45Å; C1140-D1157 WeakPolarHBondContact O-CA 3.48Å; C1140-D1157 VanDerWaalsContact O-CB 3.23Å; C1140-D1157 WeakPolarHBondContact O-CB 3.41Å; C1140-D1158 PolarHBondContact O-N 2.5Å
1141V93.2Very high90.7Very high0 Ų053.5 Ų53.50%026%0.256CS..EExtended strand (participates in β ladder)trans-95.6107.9179.9-171.30000109.5T1114 S1115 H1137 G1156T1114-V1141 WeakPolarHBondContact CB-O 3.46Å; T1114-V1141 HydrophobicContact CG2-CB 4.3Å; T1114-V1141 HydrophobicContact CG2-CG1 3.57Å; T1114-V1141 PolarHBondContact OG1-O 3.4Å; S1115-V1141 PolarHBondContact O-N 2.77Å; S1115-V1141 VanDerWaalsContact O-N 3.13Å; H1137-V1141 HydrophobicContact CB-CG2 3.76Å; V1141-G1156 WeakPolarHBondContact CG1-O 3.27Å
1142R90.1Very high90.8Very high75 Ų7553.9 Ų53.928%0.28325%0.25SS..EExtended strand (participates in β ladder)trans-86.4-32.8-173-86.6176.8-167.9-81.6-9.1114.7L1100 S1101 G1156 D1158L1100-R1142 HydrophobicContact CD1-CG 3.9Å; S1101-R1142 WeakPolarHBondContact CB-O 3.21Å; R1142-G1156 PolarHBondContact N-O 3.01Å; R1142-D1158 WeakPolarHBondContact CD-OD1 3.27Å; R1142-D1158 WeakPolarHBondContact CG-OD1 3.4Å; R1142-D1158 IonicContact CZ-OD1 3.16Å; R1142-D1158 IonicContact CZ-OD2 2.62Å; R1142-D1158 VanDerWaalsContact CZ-OD2 3.31Å; R1142-D1158 IonicContact NE-OD1 2.73Å; R1142-D1158 PolarHBondContact NE-OD1 2.82Å; R1142-D1158 IonicContact NE-OD2 2.84Å; R1142-D1158 PolarHBondContact NE-OD2 2.89Å; R1142-D1158 IonicContact NH2-OD1 3.96Å; R1142-D1158 IonicContact NH2-OD2 3.35Å; R1142-D1158 PolarHBondContact NH2-OD2 3.41Å
1143S91.4Very high90.9Very high4 Ų451 Ų513%0.02824%0.238CC..EExtended strand (participates in β ladder)trans-136.8146-171.957.40000112T1155 G1156 V1192S1143-T1155 WeakPolarHBondContact O-CA 3.34Å; S1143-G1156 PolarHBondContact N-O 2.85Å; S1143-G1156 PolarHBondContact O-N 3.11Å; S1143-V1192 PolarHBondContact OG-O 2.85Å
1144C94.8Very high91Very high8 Ų848.2 Ų48.25%0.05422%0.221CC..EExtended strand (participates in β ladder)trans-143149.2168.661.10000111.5T1114 L1153 A1154 T1155T1114-C1144 HydrophobicContact CG2-CB 3.42Å; T1114-C1144 VanDerWaalsContact CG2-CB 3.42Å; C1144-L1153 HydrophobicContact CB-CD1 4.33Å; C1144-A1154 CarbonylContact C-O 3.57Å; C1144-A1154 WeakPolarHBondContact CA-O 3.34Å; C1144-T1155 HydrophobicContact CB-CG2 4.2Å
1145R94.9Very high91.1Very high56 Ų5647.9 Ų47.921%0.21122%0.219CC..EExtended strand (participates in β ladder)trans-150.9141.9170.6-159.2160.5-169.5145.3-1.9113.3A1154 D1194 L1195 H1196 F1197R1145-A1154 PolarHBondContact N-O 3.4Å; R1145-A1154 PolarHBondContact O-N 2.97Å; R1145-D1194 IonicContact NH1-OD1 3.52Å; R1145-L1195 HydrophobicContact CB-CB 4.27Å; R1145-L1195 WeakPolarHBondContact CD-O 3.33Å; R1145-L1195 PolarHBondContact NH1-O 3.28Å; R1145-H1196 PolarHBondContact NH1-CD2 2.78Å; R1145-H1196 VanDerWaalsContact NH1-CD2 3.26Å; R1145-H1196 PolarHBondContact NH1-CE1 3.42Å; R1145-H1196 VanDerWaalsContact NH1-CG 3.35Å; R1145-H1196 PolarHBondContact NH1-ND1 2.93Å; R1145-H1196 VanDerWaalsContact NH1-ND1 3.12Å; R1145-H1196 PolarHBondContact NH1-NE2 3.16Å; R1145-H1196 PolarHBondContact NH2-CE1 3.18Å; R1145-H1196 VanDerWaalsContact NH2-CE1 3.3Å; R1145-H1196 PolarHBondContact NH2-ND1 2.8Å; R1145-F1197 WeakPolarHBondContact O-CE2 2.88Å
1146F94.5Very high91.3Very high6 Ų638.8 Ų38.83%0.02619%0.185CC..EExtended strand (participates in β ladder)trans-81.3145.9171.5-76.1-80.2000111.6H1103 L1110 A1112 L1122 L1153 V1167H1103-F1146 HydrophobicContact CB-CD2 4.46Å; H1103-F1146 AromaticContact ND1-CD2 3.78Å; H1103-F1146 VanDerWaalsContact O-CE2 3.3Å; H1103-F1146 WeakPolarHBondContact O-CE2 3.08Å; L1110-F1146 HydrophobicContact CB-CZ 4.17Å; A1112-F1146 HydrophobicContact CB-CE2 3.66Å; A1112-F1146 HydrophobicContact CB-CZ 3.86Å; L1122-F1146 HydrophobicContact CD2-CE1 3.76Å; L1122-F1146 HydrophobicContact CD2-CE2 4.46Å; L1122-F1146 HydrophobicContact CD2-CZ 3.37Å; F1146-L1153 HydrophobicContact CD1-CB 4.46Å; F1146-L1153 HydrophobicContact CD1-CD1 3.91Å; F1146-L1153 HydrophobicContact CD2-CD1 4.03Å; F1146-L1153 HydrophobicContact CE1-CB 4.49Å; F1146-L1153 HydrophobicContact CE1-CD1 3.94Å; F1146-L1153 HydrophobicContact CE2-CD1 4.05Å; F1146-L1153 HydrophobicContact CG-CD1 3.98Å; F1146-L1153 HydrophobicContact CZ-CD1 4.03Å; F1146-V1167 HydrophobicContact CD1-CG2 3.98Å; F1146-V1167 HydrophobicContact CE1-CG1 4.16Å; F1146-V1167 HydrophobicContact CE1-CG2 3.77Å
1147S93.4Very high91.6Very high0 Ų037.2 Ų37.20%017%0.169CC..  trans-64.4153.3164.6580000111.2N1149 S1150 K1151 R1152 N1201S1147-N1149 PolarHBondContact O-N 2.76Å; S1147-N1149 VanDerWaalsContact O-N 3.11Å; S1147-N1149 PolarHBondContact OG-OD1 3.22Å; S1147-S1150 WeakPolarHBondContact O-CA 3.16Å; S1147-S1150 PolarHBondContact O-N 3.47Å; S1147-K1151 PolarHBondContact OG-N 3.03Å; S1147-R1152 PolarHBondContact N-O 3.1Å; S1147-R1152 PolarHBondContact OG-N 3.08Å; S1147-R1152 PolarHBondContact OG-O 3.4Å; S1147-R1152 VanDerWaalsContact OG-O 3.08Å; S1147-N1201 WeakPolarHBondContact CB-OD1 3.27Å
1148W90.1Very high91.5Very high151 Ų15137.6 Ų37.657%0.57217%0.171SC*.THydrogen-bonded Turntrans-58.5-27.1179.3-70.9100000114.2S1150 F1197 S1198 N1201W1148-S1150 VanDerWaalsContact C-N 3.33Å; W1148-F1197 PolarHBondContact NE1-O 3.36Å; W1148-S1198 VanDerWaalsContact CD1-O 3.26Å; W1148-N1201 PolarHBondContact N-OD1 2.92Å
1149N90.1Very high91.4Very high68 Ų6835.1 Ų35.136%0.36416%0.159SC..THydrogen-bonded Turntrans-90.17.3175.868.213.5000114S1147 K1151S1147-N1149 PolarHBondContact O-N 2.76Å; S1147-N1149 VanDerWaalsContact O-N 3.11Å; S1147-N1149 PolarHBondContact OG-OD1 3.22Å; N1149-K1151 WeakPolarHBondContact O-CG 3.26Å; N1149-K1151 PolarHBondContact O-N 3.09Å; N1149-K1151 WeakPolarHBondContact OD1-CB 3.43Å; N1149-K1151 PolarHBondContact OD1-N 2.96Å
1150S90.3Very high91.1Very high12 Ų1232.9 Ų32.98%0.08415%0.147CC..SBendtrans57.510.4-176.7-53.60000116.2P1106 D1107 S1147 W1148P1106-S1150 WeakPolarHBondContact CD-OG 3.48Å; D1107-S1150 VanDerWaalsContact CG-OG 3.22Å; D1107-S1150 PolarHBondContact N-OG 2.54Å; D1107-S1150 WeakPolarHBondContact OD2-CB 3.45Å; D1107-S1150 PolarHBondContact OD2-OG 2.88Å; S1147-S1150 WeakPolarHBondContact O-CA 3.16Å; S1147-S1150 PolarHBondContact O-N 3.47Å; W1148-S1150 VanDerWaalsContact C-N 3.33Å
1151K91.3Very high90.9Very high117 Ų11733 Ų3351%0.50915%0.145SC..SBendtrans-89.3-22.4-175.7-66.2175.8-175.2175.50113.9S1147 N1149 V1167S1147-K1151 PolarHBondContact OG-N 3.03Å; N1149-K1151 WeakPolarHBondContact O-CG 3.26Å; N1149-K1151 PolarHBondContact O-N 3.09Å; N1149-K1151 WeakPolarHBondContact OD1-CB 3.43Å; N1149-K1151 PolarHBondContact OD1-N 2.96Å; K1151-V1167 WeakPolarHBondContact O-CB 3.44Å; K1151-V1167 WeakPolarHBondContact O-CG2 3.17Å; K1151-V1167 PolarHBondContact O-N 3.26Å
1152R93.6Very high90.9Very high76 Ų7633 Ų3329%0.28715%0.145SC..EExtended strand (participates in β ladder)trans-125.9149.4-176.6-62.1178.2177.9158-3.3111.1S1147 I1164 W1165 L1173 F1197 N1201S1147-R1152 PolarHBondContact N-O 3.1Å; S1147-R1152 PolarHBondContact OG-N 3.08Å; S1147-R1152 PolarHBondContact OG-O 3.4Å; S1147-R1152 VanDerWaalsContact OG-O 3.08Å; R1152-I1164 HydrophobicContact CB-CG2 4.36Å; R1152-W1165 VanDerWaalsContact CA-O 3.29Å; R1152-W1165 WeakPolarHBondContact CA-O 3.34Å; R1152-L1173 HydrophobicContact CG-CD1 4.08Å; R1152-F1197 HydrophobicContact CB-CZ 4.43Å; R1152-N1201 PolarHBondContact NH1-O 2.84Å
1153L94.9Very high91Very high0 Ų030.8 Ų30.80%014%0.136CC..EExtended strand (participates in β ladder)trans-123.5127.9171.9-178.578.5000108.6A1112 T1120 L1122 L1134 C1144 F1146 T1155 I1164 W1165 V1167A1112-L1153 HydrophobicContact CB-CD1 3.69Å; A1112-L1153 HydrophobicContact CB-CD2 4.05Å; T1120-L1153 HydrophobicContact CG2-CD2 3.95Å; L1122-L1153 HydrophobicContact CD2-CD2 4.12Å; L1122-L1153 HydrophobicContact CG-CD2 4.38Å; L1134-L1153 HydrophobicContact CD1-CD2 3.67Å; C1144-L1153 HydrophobicContact CB-CD1 4.33Å; F1146-L1153 HydrophobicContact CD1-CB 4.46Å; F1146-L1153 HydrophobicContact CD1-CD1 3.91Å; F1146-L1153 HydrophobicContact CD2-CD1 4.03Å; F1146-L1153 HydrophobicContact CE1-CB 4.49Å; F1146-L1153 HydrophobicContact CE1-CD1 3.94Å; F1146-L1153 HydrophobicContact CE2-CD1 4.05Å; F1146-L1153 HydrophobicContact CG-CD1 3.98Å; F1146-L1153 HydrophobicContact CZ-CD1 4.03Å; L1153-T1155 HydrophobicContact CD2-CG2 3.91Å; L1153-T1155 HydrophobicContact CG-CG2 4.19Å; L1153-I1164 CarbonylContact O-C 3.56Å; L1153-I1164 WeakPolarHBondContact O-CA 3.45Å; L1153-W1165 HydrophobicContact CB-CB 4.33Å; L1153-W1165 PolarHBondContact N-O 2.8Å; L1153-W1165 PolarHBondContact O-N 3.08Å; L1153-V1167 HydrophobicContact CB-CG2 4.12Å
1154A95.1Very high91.1Very high0 Ų030.6 Ų30.60%014%0.135CC..EExtended strand (participates in β ladder)trans-98.4138168.300000109.7C1144 R1145 R1163 L1195 F1197 L1204C1144-A1154 CarbonylContact C-O 3.57Å; C1144-A1154 WeakPolarHBondContact CA-O 3.34Å; R1145-A1154 PolarHBondContact N-O 3.4Å; R1145-A1154 PolarHBondContact O-N 2.97Å; A1154-R1163 CarbonylContact C-O 3.54Å; A1154-R1163 VanDerWaalsContact CA-O 3.31Å; A1154-R1163 WeakPolarHBondContact CA-O 3.47Å; A1154-L1195 HydrophobicContact CB-CD1 3.97Å; A1154-F1197 HydrophobicContact CB-CE2 3.63Å; A1154-F1197 HydrophobicContact CB-CZ 3.64Å; A1154-L1204 HydrophobicContact CB-CD1 3.96Å; A1154-L1204 HydrophobicContact CB-CD2 3.84Å
1155T94.7Very high91Very high0 Ų030.7 Ų30.70%013%0.134CC..EExtended strand (participates in β ladder)trans-129.4141.2175.757.30000110.1T1120 H1137 S1143 C1144 L1153 I1162 R1163 W1165T1120-T1155 HydrophobicContact CG2-CG2 3.85Å; H1137-T1155 PolarHBondContact NE2-OG1 3.19Å; S1143-T1155 WeakPolarHBondContact O-CA 3.34Å; C1144-T1155 HydrophobicContact CB-CG2 4.2Å; L1153-T1155 HydrophobicContact CD2-CG2 3.91Å; L1153-T1155 HydrophobicContact CG-CG2 4.19Å; T1155-I1162 CarbonylContact O-C 3.56Å; T1155-I1162 VanDerWaalsContact O-CA 3.29Å; T1155-I1162 WeakPolarHBondContact O-CA 3.5Å; T1155-R1163 PolarHBondContact N-O 2.84Å; T1155-R1163 PolarHBondContact O-N 2.9Å; T1155-W1165 PolarHBondContact OG1-NE1 2.85Å
1156G92.5Very high91Very high0 Ų028.8 Ų28.80%013%0.129CC..EExtended strand (participates in β ladder)trans-127.8140.1179.800000111.8V1141 R1142 S1143 E1161V1141-G1156 WeakPolarHBondContact CG1-O 3.27Å; R1142-G1156 PolarHBondContact N-O 3.01Å; S1143-G1156 PolarHBondContact N-O 2.85Å; S1143-G1156 PolarHBondContact O-N 3.11Å; G1156-E1161 WeakPolarHBondContact CA-O 3.1Å
1157D89.9Confident90.8Very high0 Ų029 Ų290%013%0.132CC..EExtended strand (participates in β ladder)trans-113.9-179.2-177.572.718.4000114.9H1137 C1140 N1159 G1160 E1161 V1192H1137-D1157 HydrophobicContact CB-CB 4.43Å; H1137-D1157 IonicContact CE1-OD2 2.8Å; H1137-D1157 IonicContact CG-OD2 2.68Å; H1137-D1157 WeakPolarHBondContact ND1-CB 3.22Å; H1137-D1157 IonicContact ND1-OD2 2.65Å; H1137-D1157 PolarHBondContact ND1-OD2 3.3Å; C1140-D1157 CarbonylContact O-C 3.45Å; C1140-D1157 WeakPolarHBondContact O-CA 3.48Å; C1140-D1157 VanDerWaalsContact O-CB 3.23Å; C1140-D1157 WeakPolarHBondContact O-CB 3.41Å; D1157-N1159 VanDerWaalsContact C-N 3.3Å; D1157-N1159 WeakPolarHBondContact OD1-CA 3.26Å; D1157-N1159 PolarHBondContact OD1-N 3.35Å; D1157-G1160 PolarHBondContact O-N 3.22Å; D1157-G1160 PolarHBondContact OD1-N 3.2Å; D1157-E1161 PolarHBondContact N-O 2.85Å; D1157-E1161 VanDerWaalsContact N-O 3.11Å; D1157-E1161 WeakPolarHBondContact OD1-CB 3.48Å; D1157-E1161 PolarHBondContact OD1-N 3.02Å; D1157-E1161 VanDerWaalsContact OD2-CB 3.31Å; D1157-E1161 WeakPolarHBondContact OD2-CB 3.21Å; D1157-V1192 PolarHBondContact O-N 2.76Å
1158D86.4Confident90.6Very high21 Ų2136.1 Ų36.111%0.11216%0.162CC..THydrogen-bonded Turntrans-68.8-24178.8-74.631.4000113.3D1139 C1140 R1142 G1160 W1191D1139-D1158 HydrophobicContact CB-CB 4.2Å; C1140-D1158 PolarHBondContact O-N 2.5Å; R1142-D1158 WeakPolarHBondContact CD-OD1 3.27Å; R1142-D1158 WeakPolarHBondContact CG-OD1 3.4Å; R1142-D1158 IonicContact CZ-OD1 3.16Å; R1142-D1158 IonicContact CZ-OD2 2.62Å; R1142-D1158 VanDerWaalsContact CZ-OD2 3.31Å; R1142-D1158 IonicContact NE-OD1 2.73Å; R1142-D1158 PolarHBondContact NE-OD1 2.82Å; R1142-D1158 IonicContact NE-OD2 2.84Å; R1142-D1158 PolarHBondContact NE-OD2 2.89Å; R1142-D1158 IonicContact NH2-OD1 3.96Å; R1142-D1158 IonicContact NH2-OD2 3.35Å; R1142-D1158 PolarHBondContact NH2-OD2 3.41Å; D1158-G1160 VanDerWaalsContact C-N 3.28Å; D1158-G1160 PolarHBondContact O-N 3.48Å; D1158-W1191 VanDerWaalsContact O-CD1 3.25Å
1159N81.4Confident90.5Very high71 Ų7134.4 Ų34.438%0.3816%0.164SC..THydrogen-bonded Turntrans-86.5-3.3179.1-73.4-25.9000113D1157 V1187D1157-N1159 VanDerWaalsContact C-N 3.3Å; D1157-N1159 WeakPolarHBondContact OD1-CA 3.26Å; D1157-N1159 PolarHBondContact OD1-N 3.35Å; N1159-V1187 PolarHBondContact O-N 3.02Å; N1159-V1187 VanDerWaalsContact O-N 3.16Å
1160G79.6Confident90.3Very high0 Ų031.9 Ų31.90%015%0.154CC..SBendtrans90.55.9-175.800000113.7D1157 D1158 H1188 G1190D1157-G1160 PolarHBondContact O-N 3.22Å; D1157-G1160 PolarHBondContact OD1-N 3.2Å; D1158-G1160 VanDerWaalsContact C-N 3.28Å; D1158-G1160 PolarHBondContact O-N 3.48Å; G1160-H1188 PolarHBondContact O-CD2 3.47Å; G1160-G1190 WeakPolarHBondContact CA-O 3.47Å; G1160-G1190 PolarHBondContact N-O 3.23Å
1161E87.8Confident90.3Very high27 Ų2733.8 Ų33.813%0.12617%0.168CC..  trans-79.3130.6-179.5-159.9-171.4158.300110.3G1156 D1157 R1163 V1175G1156-E1161 WeakPolarHBondContact CA-O 3.1Å; D1157-E1161 PolarHBondContact N-O 2.85Å; D1157-E1161 VanDerWaalsContact N-O 3.11Å; D1157-E1161 WeakPolarHBondContact OD1-CB 3.48Å; D1157-E1161 PolarHBondContact OD1-N 3.02Å; D1157-E1161 VanDerWaalsContact OD2-CB 3.31Å; D1157-E1161 WeakPolarHBondContact OD2-CB 3.21Å; E1161-R1163 IonicContact OE1-CZ 3.93Å; E1161-R1163 IonicContact OE1-NE 2.75Å; E1161-R1163 PolarHBondContact OE1-NE 2.8Å; E1161-R1163 IonicContact OE1-NH2 3.7Å; E1161-R1163 PolarHBondContact OE1-NH2 3.17Å; E1161-R1163 IonicContact OE2-CZ 2.86Å; E1161-R1163 IonicContact OE2-NE 3.46Å; E1161-R1163 IonicContact OE2-NH2 3.64Å; E1161-R1163 PolarHBondContact OE2-NH2 2.8Å; E1161-V1175 HydrophobicContact CG-CG1 3.86Å; E1161-V1175 WeakPolarHBondContact OE1-CG1 3.01Å
1162I91.4Very high90.2Very high0 Ų031.7 Ų31.70%016%0.162CC..EExtended strand (participates in β ladder)trans-113.6129.2175.4-61.5170.6000109.2T1155 C1176 H1188 V1192 L1195 L1204 S1206 W1214T1155-I1162 CarbonylContact O-C 3.56Å; T1155-I1162 VanDerWaalsContact O-CA 3.29Å; T1155-I1162 WeakPolarHBondContact O-CA 3.5Å; I1162-C1176 HydrophobicContact CB-CB 3.99Å; I1162-C1176 HydrophobicContact CG2-CB 4.24Å; I1162-C1176 PolarHBondContact O-N 2.49Å; I1162-H1188 VanDerWaalsContact CD1-NE2 3.3Å; I1162-H1188 WeakPolarHBondContact CD1-NE2 3.47Å; I1162-V1192 HydrophobicContact CD1-CG1 4.15Å; I1162-V1192 HydrophobicContact CD1-CG2 4.26Å; I1162-V1192 HydrophobicContact CG1-CG1 4.08Å; I1162-V1192 HydrophobicContact CG1-CG2 3.81Å; I1162-L1195 HydrophobicContact CD1-CD2 3.98Å; I1162-L1195 HydrophobicContact CG1-CD2 4.39Å; I1162-L1195 HydrophobicContact CG2-CD2 4.32Å; I1162-L1204 HydrophobicContact CG2-CD2 3.86Å; I1162-S1206 WeakPolarHBondContact CD1-OG 3.45Å; I1162-W1214 HydrophobicContact CD1-CZ2 4.21Å
1163R92.4Very high90Very high29 Ų2931.5 Ų31.511%0.10917%0.166CC..EExtended strand (participates in β ladder)trans-119.5139.9177.5-65.5-171.5176.7-164.69.4111.5G1136 A1154 T1155 E1161 W1165 L1172 V1175G1136-R1163 PolarHBondContact O-NH1 3Å; G1136-R1163 PolarHBondContact O-NH2 3.34Å; A1154-R1163 CarbonylContact C-O 3.54Å; A1154-R1163 VanDerWaalsContact CA-O 3.31Å; A1154-R1163 WeakPolarHBondContact CA-O 3.47Å; T1155-R1163 PolarHBondContact N-O 2.84Å; T1155-R1163 PolarHBondContact O-N 2.9Å; E1161-R1163 IonicContact OE1-CZ 3.93Å; E1161-R1163 IonicContact OE1-NE 2.75Å; E1161-R1163 PolarHBondContact OE1-NE 2.8Å; E1161-R1163 IonicContact OE1-NH2 3.7Å; E1161-R1163 PolarHBondContact OE1-NH2 3.17Å; E1161-R1163 IonicContact OE2-CZ 2.86Å; E1161-R1163 IonicContact OE2-NE 3.46Å; E1161-R1163 IonicContact OE2-NH2 3.64Å; E1161-R1163 PolarHBondContact OE2-NH2 2.8Å; R1163-W1165 HydrophobicContact CB-CZ2 4.04Å; R1163-W1165 HydrophobicContact CG-CZ2 4.49Å; R1163-L1172 HydrophobicContact CB-CD1 3.84Å; R1163-L1172 HydrophobicContact CG-CD1 4.13Å; R1163-V1175 HydrophobicContact CG-CG1 4.46Å; R1163-V1175 HydrophobicContact CG-CG2 4.24Å
1164I93.9Very high89.6Confident0 Ų036 Ų360%019%0.186CC..EExtended strand (participates in β ladder)trans-111.2124.4176.2-58.8165.2000108.3R1152 L1153 L1173 K1174 C1176 L1204 V1216R1152-I1164 HydrophobicContact CB-CG2 4.36Å; L1153-I1164 CarbonylContact O-C 3.56Å; L1153-I1164 WeakPolarHBondContact O-CA 3.45Å; I1164-L1173 HydrophobicContact CG2-CB 4.41Å; I1164-L1173 HydrophobicContact CG2-CD1 4.25Å; I1164-L1173 WeakPolarHBondContact O-CA 3.49Å; I1164-L1173 WeakPolarHBondContact O-CB 3.34Å; I1164-L1173 PolarHBondContact O-N 2.82Å; I1164-K1174 HydrophobicContact CD1-CB 4.49Å; I1164-K1174 PolarHBondContact N-O 3.07Å; I1164-K1174 PolarHBondContact O-N 3.01Å; I1164-C1176 WeakPolarHBondContact CD1-SG 3.48Å; I1164-L1204 HydrophobicContact CG1-CD2 4.45Å; I1164-V1216 HydrophobicContact CD1-CB 4.43Å; I1164-V1216 HydrophobicContact CD1-CG1 3.98Å; I1164-V1216 HydrophobicContact CG2-CG1 4.38Å
1165W93.9Very high89.2Confident10 Ų1038.3 Ų38.34%0.03820%0.2CC..EExtended strand (participates in β ladder)trans-114.6148.2-175.6-53.789.6000111.5L1134 R1135 R1152 L1153 T1155 R1163 S1171 L1172L1134-W1165 HydrophobicContact CB-CD2 4.19Å; L1134-W1165 HydrophobicContact CB-CE3 4.17Å; L1134-W1165 HydrophobicContact CB-CH2 4.23Å; L1134-W1165 HydrophobicContact CB-CZ2 4.23Å; L1134-W1165 HydrophobicContact CB-CZ3 4.18Å; L1134-W1165 HydrophobicContact CD1-CB 4.06Å; L1134-W1165 HydrophobicContact CD1-CD2 3.9Å; L1134-W1165 HydrophobicContact CD1-CE3 4.36Å; L1134-W1165 HydrophobicContact CD1-CG 3.74Å; L1134-W1165 HydrophobicContact CD2-CD2 4.26Å; L1134-W1165 HydrophobicContact CD2-CE3 3.87Å; L1134-W1165 HydrophobicContact CD2-CZ3 4.38Å; L1134-W1165 HydrophobicContact CG-CD2 4.34Å; L1134-W1165 HydrophobicContact CG-CE3 4.35Å; R1135-W1165 WeakPolarHBondContact O-CH2 3.31Å; R1152-W1165 VanDerWaalsContact CA-O 3.29Å; R1152-W1165 WeakPolarHBondContact CA-O 3.34Å; L1153-W1165 HydrophobicContact CB-CB 4.33Å; L1153-W1165 PolarHBondContact N-O 2.8Å; L1153-W1165 PolarHBondContact O-N 3.08Å; T1155-W1165 PolarHBondContact OG1-NE1 2.85Å; R1163-W1165 HydrophobicContact CB-CZ2 4.04Å; R1163-W1165 HydrophobicContact CG-CZ2 4.49Å; W1165-S1171 WeakPolarHBondContact CA-O 3.26Å; W1165-L1172 HydrophobicContact CD2-CD1 4.05Å; W1165-L1172 HydrophobicContact CE3-CB 3.88Å; W1165-L1172 HydrophobicContact CE3-CD1 4.05Å; W1165-L1172 HydrophobicContact CH2-CB 4.22Å; W1165-L1172 HydrophobicContact CH2-CD1 3.96Å; W1165-L1172 HydrophobicContact CZ2-CD1 3.97Å; W1165-L1172 HydrophobicContact CZ3-CB 3.61Å; W1165-L1172 HydrophobicContact CZ3-CD1 4.01Å; W1165-L1172 HydrophobicContact CZ3-CG 4.34Å
1166S92.9Very high88.5Confident16 Ų1638.3 Ų38.311%0.11220%0.2CC..EExtended strand (participates in β ladder)trans-79.9125.3167.3-177.10000109.3K1168 G1170 S1171S1166-K1168 VanDerWaalsContact C-N 3.3Å; S1166-G1170 VanDerWaalsContact O-CA 3.23Å; S1166-G1170 WeakPolarHBondContact O-CA 3.46Å; S1166-G1170 PolarHBondContact O-N 3.18Å; S1166-S1171 PolarHBondContact N-O 2.83Å
1167V91.8Very high87.3Confident12 Ų1241.1 Ų41.17%0.07322%0.219CC..THydrogen-bonded Turntrans-76-22.6178.1178.90000111.6L1110 F1146 K1151 L1153L1110-V1167 HydrophobicContact CD1-CG1 3.26Å; F1146-V1167 HydrophobicContact CD1-CG2 3.98Å; F1146-V1167 HydrophobicContact CE1-CG1 4.16Å; F1146-V1167 HydrophobicContact CE1-CG2 3.77Å; K1151-V1167 WeakPolarHBondContact O-CB 3.44Å; K1151-V1167 WeakPolarHBondContact O-CG2 3.17Å; K1151-V1167 PolarHBondContact O-N 3.26Å; L1153-V1167 HydrophobicContact CB-CG2 4.12Å
1168K88.4Confident85.8Confident148 Ų14843 Ų4364%0.64323%0.228SC*.THydrogen-bonded Turntrans-68.8-47.8-179.3-68.1-174.1173.8-171.60112.7F1132 S1166F1132-K1168 WeakPolarHBondContact CE2-O 3.29Å; F1132-K1168 WeakPolarHBondContact CZ-O 3.39Å; S1166-K1168 VanDerWaalsContact C-N 3.3Å
1169D87.8Confident83.8Confident115 Ų11551.3 Ų51.362%0.61527%0.266SS*.THydrogen-bonded Turntrans-119.4-3.3-168.4-44.6-41.6000112.3S1171D1169-S1171 PolarHBondContact O-N 2.86Å
1170G86.1Confident81.9Confident15 Ų1550.2 Ų50.216%0.15526%0.264CS..  trans69.410.2-176.300000114.4L1134 S1166L1134-G1170 WeakPolarHBondContact CD2-O 3.34Å; S1166-G1170 VanDerWaalsContact O-CA 3.23Å; S1166-G1170 WeakPolarHBondContact O-CA 3.46Å; S1166-G1170 PolarHBondContact O-N 3.18Å
1171S89.8Confident80.1Confident53 Ų5358.9 Ų58.937%0.37130%0.302SS..  trans-77.8146.2-177.669.20000112.4W1165 S1166 D1169 L1173W1165-S1171 WeakPolarHBondContact CA-O 3.26Å; S1166-S1171 PolarHBondContact N-O 2.83Å; D1169-S1171 PolarHBondContact O-N 2.86Å; S1171-L1173 PolarHBondContact O-N 3.44Å
1172L90.9Very high77.6Confident72 Ų7261.6 Ų61.638%0.37732%0.317SS..EExtended strand (participates in β ladder)trans-68.6120.6169.3-177.362.2000109R1163 W1165 V1175R1163-L1172 HydrophobicContact CB-CD1 3.84Å; R1163-L1172 HydrophobicContact CG-CD1 4.13Å; W1165-L1172 HydrophobicContact CD2-CD1 4.05Å; W1165-L1172 HydrophobicContact CE3-CB 3.88Å; W1165-L1172 HydrophobicContact CE3-CD1 4.05Å; W1165-L1172 HydrophobicContact CH2-CB 4.22Å; W1165-L1172 HydrophobicContact CH2-CD1 3.96Å; W1165-L1172 HydrophobicContact CZ2-CD1 3.97Å; W1165-L1172 HydrophobicContact CZ3-CB 3.61Å; W1165-L1172 HydrophobicContact CZ3-CD1 4.01Å; W1165-L1172 HydrophobicContact CZ3-CG 4.34Å; L1172-V1175 HydrophobicContact CD1-CG2 4.31Å; L1172-V1175 HydrophobicContact CD2-CG2 3.82Å; L1172-V1175 HydrophobicContact CG-CG2 4.42Å
1173L88.2Confident75.2Confident72 Ų7265.4 Ų65.438%0.37735%0.349SS..EExtended strand (participates in β ladder)trans-86.3-53176.1-67.1174000110.5R1152 I1164 S1171R1152-L1173 HydrophobicContact CG-CD1 4.08Å; I1164-L1173 HydrophobicContact CG2-CB 4.41Å; I1164-L1173 HydrophobicContact CG2-CD1 4.25Å; I1164-L1173 WeakPolarHBondContact O-CA 3.49Å; I1164-L1173 WeakPolarHBondContact O-CB 3.34Å; I1164-L1173 PolarHBondContact O-N 2.82Å; S1171-L1173 PolarHBondContact O-N 3.44Å
1174K87.3Confident72.5Confident96 Ų9670.9 Ų70.942%0.41739%0.386SS..EExtended strand (participates in β ladder)trans-149.6149.2-176.6-68.2-63.1171.2-178.30111.4I1164I1164-K1174 HydrophobicContact CD1-CB 4.49Å; I1164-K1174 PolarHBondContact N-O 3.07Å; I1164-K1174 PolarHBondContact O-N 3.01Å
1175V87.2Confident70Confident47 Ų4778 Ų7829%0.28542%0.423SS..EExtended strand (participates in β ladder)trans-104.7121.6163.1-177.20000106.4E1161 R1163 L1172 S1177E1161-V1175 HydrophobicContact CG-CG1 3.86Å; E1161-V1175 WeakPolarHBondContact OE1-CG1 3.01Å; R1163-V1175 HydrophobicContact CG-CG1 4.46Å; R1163-V1175 HydrophobicContact CG-CG2 4.24Å; L1172-V1175 HydrophobicContact CD1-CG2 4.31Å; L1172-V1175 HydrophobicContact CD2-CG2 3.82Å; L1172-V1175 HydrophobicContact CG-CG2 4.42Å; V1175-S1177 VanDerWaalsContact C-N 3.29Å; V1175-S1177 PolarHBondContact O-N 3.05Å
1176C78.8Confident67.9Low0 Ų080.1 Ų80.10%044%0.44CS..EExtended strand (participates in β ladder)trans-86.377.1172.8-650000107.7I1162 I1164 W1214I1162-C1176 HydrophobicContact CB-CB 3.99Å; I1162-C1176 HydrophobicContact CG2-CB 4.24Å; I1162-C1176 PolarHBondContact O-N 2.49Å; I1164-C1176 WeakPolarHBondContact CD1-SG 3.48Å; C1176-W1214 HydrophobicContact CB-CD2 3.93Å; C1176-W1214 HydrophobicContact CB-CE3 3.64Å; C1176-W1214 HydrophobicContact CB-CH2 4.18Å; C1176-W1214 HydrophobicContact CB-CZ2 4.48Å; C1176-W1214 HydrophobicContact CB-CZ3 3.77Å; C1176-W1214 WeakPolarHBondContact O-CH2 3.39Å
1177S66.7Low66.2Low59 Ų5981.7 Ų81.741%0.41345%0.449SS..  trans-118.8150.7176.157.10000110.2V1175V1175-S1177 VanDerWaalsContact C-N 3.29Å; V1175-S1177 PolarHBondContact O-N 3.05Å
1178Q58.4Low64.8Low41 Ų4181.1 Ų81.119%0.19245%0.446CS..  trans-72.7146.3165.1-77.1170.8-4.100110.1P564 S1180P564-Q1178 VanDerWaalsContact CD-OE1 3.29Å; Q1178-S1180 PolarHBondContact O-N 3.41Å; Q1178-S1180 VanDerWaalsContact O-N 3.1Å
1179E45Very low63.5Low195 Ų19576.1 Ų76.191%0.91144%0.436SS*.SBendtrans-73.922.5172.4-68.8-175.6148.300113.6
1180S41Very low62.8Low47 Ų4771.5 Ų71.533%0.32942%0.415SS..  trans-96.799173.456.70000110.1Q1178 D1182Q1178-S1180 PolarHBondContact O-N 3.41Å; Q1178-S1180 VanDerWaalsContact O-N 3.1Å; S1180-D1182 PolarHBondContact O-N 3.24Å
1181K41.7Very low62.6Low182 Ų18277.4 Ų77.479%0.79143%0.433SS*.  trans-80.524.5173.6-84-174.6175.3179.90113.4
1182D36.8Very low62.6Low84 Ų8474.9 Ų74.945%0.44942%0.415SS..  trans-82.6128.2171.8-77.7-32.8000109.4Q218 S1180Q218-D1182 PolarHBondContact N-OD2 3.05Å; S1180-D1182 PolarHBondContact O-N 3.24Å
1183A41.2Very low62.4Low81 Ų8173.3 Ų73.367%0.66941%0.409SS*.SBendtrans-64.6155.7-174.700000112
1184T34.6Very low62.6Low144 Ų14471.3 Ų71.388%0.88340%0.399SS*.SBendtrans87.5-20.1164.666.90000120.7
1185D41.1Very low62.9Low148 Ų14866.8 Ų66.879%0.79138%0.379SS*.SBendtrans-101.7130.9175.8-76.1-24.1000113V1187D1185-V1187 PolarHBondContact O-N 2.85Å
1186S50.3Low63.3Low56 Ų5665.6 Ų65.639%0.39237%0.37SS..  trans-56.7131.9178.659.40000112.2H1188 G1189 G1190S1186-H1188 PolarHBondContact O-N 3.16Å; S1186-G1189 PolarHBondContact O-N 2.87Å; S1186-G1189 VanDerWaalsContact OG-CA 3.28Å; S1186-G1189 WeakPolarHBondContact OG-CA 3.17Å; S1186-G1189 PolarHBondContact OG-N 2.77Å; S1186-G1190 PolarHBondContact OG-N 2.86Å
1187V57Low64Low49 Ų4965.8 Ų65.830%0.29737%0.371SS..THydrogen-bonded Turntrans-62.8-17.4-171-178.30000113.5N1159 D1185 Y1210N1159-V1187 PolarHBondContact O-N 3.02Å; N1159-V1187 VanDerWaalsContact O-N 3.16Å; D1185-V1187 PolarHBondContact O-N 2.85Å; V1187-Y1210 PolarHBondContact O-OH 3.46Å; V1187-Y1210 VanDerWaalsContact O-OH 3.14Å
1188H63.3Low65.3Low0 Ų063.1 Ų63.10%035%0.352CS..THydrogen-bonded Turntrans-131.920.6-175.3-125.8-48000113.3G1160 I1162 S1186 G1190 S1206 G1209 Y1210 K1212 W1214G1160-H1188 PolarHBondContact O-CD2 3.47Å; I1162-H1188 VanDerWaalsContact CD1-NE2 3.3Å; I1162-H1188 WeakPolarHBondContact CD1-NE2 3.47Å; S1186-H1188 PolarHBondContact O-N 3.16Å; H1188-G1190 PolarHBondContact O-N 2.76Å; H1188-S1206 PolarHBondContact CE1-OG 2.89Å; H1188-S1206 PolarHBondContact NE2-OG 3.46Å; H1188-G1209 PolarHBondContact O-N 2.94Å; H1188-G1209 VanDerWaalsContact O-N 3.12Å; H1188-Y1210 WeakPolarHBondContact CA-OH 3.48Å; H1188-Y1210 AromaticContact CE1-CE2 3.79Å; H1188-Y1210 AromaticContact ND1-CD2 3.67Å; H1188-Y1210 AromaticContact ND1-CE2 3.13Å; H1188-Y1210 WeakPolarHBondContact ND1-CE2 3.38Å; H1188-Y1210 AromaticContact ND1-CZ 3.86Å; H1188-K1212 VanDerWaalsContact CE1-CB 3.4Å; H1188-K1212 WeakPolarHBondContact CE1-CB 3.41Å; H1188-W1214 AromaticContact CD2-CZ2 3.85Å; H1188-W1214 AromaticContact NE2-CE2 3.76Å; H1188-W1214 AromaticContact NE2-CZ2 3.34Å; H1188-W1214 VanDerWaalsContact NE2-CZ2 3.34Å; H1188-W1214 WeakPolarHBondContact NE2-CZ2 3.17Å; H1188-W1214 AromaticContact NE2-NE1 3.58Å
1189G61Low66.7Low42 Ų4264.3 Ų64.343%0.43336%0.363SS..SBendtrans64.326.7-174.400000113.3S1186 G1209S1186-G1189 PolarHBondContact O-N 2.87Å; S1186-G1189 VanDerWaalsContact OG-CA 3.28Å; S1186-G1189 WeakPolarHBondContact OG-CA 3.17Å; S1186-G1189 PolarHBondContact OG-N 2.77Å; G1189-G1209 WeakPolarHBondContact O-CA 3.46Å
1190G72.2Confident68.8Low18 Ų1860.6 Ų60.619%0.18635%0.35CS..SBendtrans126.3-147.9179.300000112.9G1160 S1186 H1188G1160-G1190 WeakPolarHBondContact CA-O 3.47Å; G1160-G1190 PolarHBondContact N-O 3.23Å; S1186-G1190 PolarHBondContact OG-N 2.86Å; H1188-G1190 PolarHBondContact O-N 2.76Å
1191W82.8Confident71.1Confident139 Ų13959 Ų5953%0.52734%0.338SS..  trans-71.1139-171.3-53.9-21.6000113.5D1158 T1193 G1208D1158-W1191 VanDerWaalsContact O-CD1 3.25Å; W1191-T1193 HydrophobicContact CB-CG2 4.35Å; W1191-T1193 PolarHBondContact O-N 2.98Å; W1191-G1208 WeakPolarHBondContact O-CA 3.4Å
1192V88.4Confident73.4Confident0 Ų052.4 Ų52.40%032%0.317CS..  trans-81.7102.5167.7-171.80000110.3S1143 D1157 I1162 L1195 T1207S1143-V1192 PolarHBondContact OG-O 2.85Å; D1157-V1192 PolarHBondContact O-N 2.76Å; I1162-V1192 HydrophobicContact CD1-CG1 4.15Å; I1162-V1192 HydrophobicContact CD1-CG2 4.26Å; I1162-V1192 HydrophobicContact CG1-CG1 4.08Å; I1162-V1192 HydrophobicContact CG1-CG2 3.81Å; V1192-L1195 HydrophobicContact CG1-CD2 3.85Å; V1192-L1195 HydrophobicContact CG1-CG 4.08Å; V1192-T1207 CarbonylContact C-O 3.55Å; V1192-T1207 WeakPolarHBondContact CA-O 3.34Å
1193T88.3Confident76Confident40 Ų4049.7 Ų49.725%0.24530%0.303CS..  trans-87.3-36.2-172.354.30000114W1191 T1207 L1232W1191-T1193 HydrophobicContact CB-CG2 4.35Å; W1191-T1193 PolarHBondContact O-N 2.98Å; T1193-T1207 PolarHBondContact N-O 2.7Å; T1193-T1207 PolarHBondContact OG1-O 2.59Å; T1193-T1207 PolarHBondContact OG1-OG1 2.97Å; T1193-L1232 WeakPolarHBondContact CB-O 3.49Å; T1193-L1232 VanDerWaalsContact CG2-O 3.23Å; T1193-L1232 WeakPolarHBondContact CG2-O 3.37Å; T1193-L1232 PolarHBondContact OG1-O 3.33Å
1194D91.6Very high78.5Confident30 Ų3045.8 Ų45.816%0.1627%0.272CS..EExtended strand (participates in β ladder)trans-149.4154.8-178-161.811.4000111.6R1145 H1196 S1206 T1207 I1235R1145-D1194 IonicContact NH1-OD1 3.52Å; D1194-H1196 IonicContact OD1-CD2 3.16Å; D1194-H1196 IonicContact OD1-NE2 2.78Å; D1194-H1196 IonicContact OD2-CD2 3.79Å; D1194-H1196 IonicContact OD2-NE2 2.76Å; D1194-H1196 PolarHBondContact OD2-NE2 2.87Å; D1194-S1206 WeakPolarHBondContact O-CA 3.3Å; D1194-T1207 WeakPolarHBondContact CB-OG1 3.44Å; D1194-T1207 PolarHBondContact N-OG1 2.85Å; D1194-T1207 PolarHBondContact O-N 2.65Å; D1194-I1235 HydrophobicContact CB-CG2 4.43Å; D1194-I1235 PolarHBondContact OD2-N 3.08Å
1195L94.3Very high81.3Confident0 Ų039 Ų390%023%0.23CC..EExtended strand (participates in β ladder)trans-140.5142.4-174.7-69.1170.5000109.5R1145 A1154 I1162 V1192 L1204 V1205R1145-L1195 HydrophobicContact CB-CB 4.27Å; R1145-L1195 WeakPolarHBondContact CD-O 3.33Å; R1145-L1195 PolarHBondContact NH1-O 3.28Å; A1154-L1195 HydrophobicContact CB-CD1 3.97Å; I1162-L1195 HydrophobicContact CD1-CD2 3.98Å; I1162-L1195 HydrophobicContact CG1-CD2 4.39Å; I1162-L1195 HydrophobicContact CG2-CD2 4.32Å; V1192-L1195 HydrophobicContact CG1-CD2 3.85Å; V1192-L1195 HydrophobicContact CG1-CG 4.08Å; L1195-L1204 HydrophobicContact CB-CD1 4.36Å; L1195-L1204 HydrophobicContact CD2-CD1 4.36Å; L1195-L1204 HydrophobicContact CD2-CD2 4.43Å; L1195-V1205 CarbonylContact C-O 3.52Å; L1195-V1205 VanDerWaalsContact CA-O 3.29Å; L1195-V1205 WeakPolarHBondContact CA-O 3.35Å
1196H94.7Very high83.7Confident23 Ų2331.9 Ų31.911%0.10619%0.192CC..EExtended strand (participates in β ladder)trans-145.3127.6176.1-73.2-111.5000112.1R1145 D1194 V1205 I1235 V1237R1145-H1196 PolarHBondContact NH1-CD2 2.78Å; R1145-H1196 VanDerWaalsContact NH1-CD2 3.26Å; R1145-H1196 PolarHBondContact NH1-CE1 3.42Å; R1145-H1196 VanDerWaalsContact NH1-CG 3.35Å; R1145-H1196 PolarHBondContact NH1-ND1 2.93Å; R1145-H1196 VanDerWaalsContact NH1-ND1 3.12Å; R1145-H1196 PolarHBondContact NH1-NE2 3.16Å; R1145-H1196 PolarHBondContact NH2-CE1 3.18Å; R1145-H1196 VanDerWaalsContact NH2-CE1 3.3Å; R1145-H1196 PolarHBondContact NH2-ND1 2.8Å; D1194-H1196 IonicContact OD1-CD2 3.16Å; D1194-H1196 IonicContact OD1-NE2 2.78Å; D1194-H1196 IonicContact OD2-CD2 3.79Å; D1194-H1196 IonicContact OD2-NE2 2.76Å; D1194-H1196 PolarHBondContact OD2-NE2 2.87Å; H1196-V1205 PolarHBondContact N-O 3.31Å; H1196-V1205 PolarHBondContact O-N 3.24Å; H1196-I1235 VanDerWaalsContact CD2-CG2 3.44Å; H1196-I1235 WeakPolarHBondContact CD2-CG2 3.29Å; H1196-I1235 PolarHBondContact CE1-O 2.76Å; H1196-I1235 PolarHBondContact NE2-O 2.85Å; H1196-V1237 HydrophobicContact CB-CG2 3.85Å
1197F93.9Very high85.6Confident4 Ų429.2 Ų29.22%0.01817%0.173CC..EExtended strand (participates in β ladder)trans-83.9143.1172.1-78.3-82.5000111.3R1145 W1148 R1152 A1154 L1204 V1216 F1241R1145-F1197 WeakPolarHBondContact O-CE2 2.88Å; W1148-F1197 PolarHBondContact NE1-O 3.36Å; R1152-F1197 HydrophobicContact CB-CZ 4.43Å; A1154-F1197 HydrophobicContact CB-CE2 3.63Å; A1154-F1197 HydrophobicContact CB-CZ 3.64Å; F1197-L1204 HydrophobicContact CD1-CB 4.42Å; F1197-L1204 HydrophobicContact CD1-CD1 4.17Å; F1197-L1204 HydrophobicContact CD2-CD1 4.13Å; F1197-L1204 HydrophobicContact CE1-CB 4.37Å; F1197-L1204 HydrophobicContact CE1-CD1 4.13Å; F1197-L1204 HydrophobicContact CE2-CD1 4.09Å; F1197-L1204 HydrophobicContact CG-CD1 4.19Å; F1197-L1204 HydrophobicContact CZ-CD1 4.1Å; F1197-V1216 HydrophobicContact CD1-CG2 4.13Å; F1197-V1216 HydrophobicContact CE1-CG1 4Å; F1197-V1216 HydrophobicContact CE1-CG2 3.88Å; F1197-F1241 WeakPolarHBondContact O-CE2 3.07Å
1198S92.8Very high86.8Confident3 Ų327 Ų272%0.02116%0.16CC..  trans-64150.6166.863.50000111.1W1148 N1200 N1201 A1202 V1203 F1241W1148-S1198 VanDerWaalsContact CD1-O 3.26Å; S1198-N1200 WeakPolarHBondContact CB-OD1 3.23Å; S1198-N1200 PolarHBondContact O-N 2.92Å; S1198-N1200 VanDerWaalsContact O-N 3.13Å; S1198-N1200 PolarHBondContact OG-OD1 3.13Å; S1198-N1201 WeakPolarHBondContact O-CA 3.5Å; S1198-N1201 PolarHBondContact O-N 2.79Å; S1198-N1201 PolarHBondContact OG-N 3.33Å; S1198-A1202 PolarHBondContact OG-N 3.19Å; S1198-V1203 WeakPolarHBondContact CB-O 3.35Å; S1198-V1203 PolarHBondContact N-O 3.01Å; S1198-V1203 PolarHBondContact OG-N 2.61Å; S1198-V1203 PolarHBondContact OG-O 3.22Å; S1198-V1203 VanDerWaalsContact OG-O 3.13Å; S1198-F1241 VanDerWaalsContact CB-CE1 3.44Å
1199P89Confident87.4Confident65 Ų6527.4 Ų27.442%0.42216%0.164SC..THydrogen-bonded Turntrans-53.9-34.7178.4-28.635000113.6N1201 F1241P1199-N1201 VanDerWaalsContact C-N 3.3Å; P1199-N1201 PolarHBondContact O-N 2.94Å; P1199-N1201 PolarHBondContact O-ND2 3.47Å; P1199-F1241 HydrophobicContact CG-CB 4.23Å
1200N88.9Confident88.5Confident117 Ų11726.6 Ų26.663%0.62615%0.148SC*.THydrogen-bonded Turntrans-80.7-3.217567.63.4000114.3S1198 A1202S1198-N1200 WeakPolarHBondContact CB-OD1 3.23Å; S1198-N1200 PolarHBondContact O-N 2.92Å; S1198-N1200 VanDerWaalsContact O-N 3.13Å; S1198-N1200 PolarHBondContact OG-OD1 3.13Å; N1200-A1202 PolarHBondContact O-N 2.93Å; N1200-A1202 WeakPolarHBondContact OD1-CB 3.47Å; N1200-A1202 PolarHBondContact OD1-N 3.2Å; N1200-A1202 VanDerWaalsContact OD1-N 3.16Å
1201N89.3Confident89.4Confident14 Ų1425.7 Ų25.78%0.07514%0.139CC..SBendtrans59.518.6-179.2-52.6-70.4000115.4S1147 W1148 R1152 S1198 P1199S1147-N1201 WeakPolarHBondContact CB-OD1 3.27Å; W1148-N1201 PolarHBondContact N-OD1 2.92Å; R1152-N1201 PolarHBondContact NH1-O 2.84Å; S1198-N1201 WeakPolarHBondContact O-CA 3.5Å; S1198-N1201 PolarHBondContact O-N 2.79Å; S1198-N1201 PolarHBondContact OG-N 3.33Å; P1199-N1201 VanDerWaalsContact C-N 3.3Å; P1199-N1201 PolarHBondContact O-N 2.94Å; P1199-N1201 PolarHBondContact O-ND2 3.47Å
1202A89.3Confident89.7Confident44 Ų4419.1 Ų19.136%0.36411%0.114SC..SBendtrans-88.3-30.4178.200000112.9S1198 N1200 V1216S1198-A1202 PolarHBondContact OG-N 3.19Å; N1200-A1202 PolarHBondContact O-N 2.93Å; N1200-A1202 WeakPolarHBondContact OD1-CB 3.47Å; N1200-A1202 PolarHBondContact OD1-N 3.2Å; N1200-A1202 VanDerWaalsContact OD1-N 3.16Å; A1202-V1216 WeakPolarHBondContact O-CB 3.14Å; A1202-V1216 WeakPolarHBondContact O-CG2 3.34Å; A1202-V1216 PolarHBondContact O-N 3.22Å
1203V91.4Very high89.8Confident26 Ų2619.1 Ų19.116%0.15811%0.114CC..EExtended strand (participates in β ladder)trans-118.3139.6-176.5-177.40000109.7S1198 W1213 W1214 L1222 F1241S1198-V1203 WeakPolarHBondContact CB-O 3.35Å; S1198-V1203 PolarHBondContact N-O 3.01Å; S1198-V1203 PolarHBondContact OG-N 2.61Å; S1198-V1203 PolarHBondContact OG-O 3.22Å; S1198-V1203 VanDerWaalsContact OG-O 3.13Å; V1203-W1213 HydrophobicContact CG1-CB 4.17Å; V1203-W1213 HydrophobicContact CG1-CG 4.47Å; V1203-W1214 VanDerWaalsContact CA-O 3.3Å; V1203-W1214 WeakPolarHBondContact CA-O 3.44Å; V1203-L1222 HydrophobicContact CG1-CD1 4.32Å; V1203-L1222 HydrophobicContact CG2-CD1 4.03Å; V1203-F1241 HydrophobicContact CB-CE1 4.21Å; V1203-F1241 HydrophobicContact CG1-CE1 4.12Å
1204L93.6Very high89.9Confident0 Ų017.3 Ų17.30%010%0.103CC..EExtended strand (participates in β ladder)trans-118.3129.7172.4172.171.2000108.6A1154 I1162 I1164 L1195 F1197 W1213 W1214 V1216A1154-L1204 HydrophobicContact CB-CD1 3.96Å; A1154-L1204 HydrophobicContact CB-CD2 3.84Å; I1162-L1204 HydrophobicContact CG2-CD2 3.86Å; I1164-L1204 HydrophobicContact CG1-CD2 4.45Å; L1195-L1204 HydrophobicContact CB-CD1 4.36Å; L1195-L1204 HydrophobicContact CD2-CD1 4.36Å; L1195-L1204 HydrophobicContact CD2-CD2 4.43Å; F1197-L1204 HydrophobicContact CD1-CB 4.42Å; F1197-L1204 HydrophobicContact CD1-CD1 4.17Å; F1197-L1204 HydrophobicContact CD2-CD1 4.13Å; F1197-L1204 HydrophobicContact CE1-CB 4.37Å; F1197-L1204 HydrophobicContact CE1-CD1 4.13Å; F1197-L1204 HydrophobicContact CE2-CD1 4.09Å; F1197-L1204 HydrophobicContact CG-CD1 4.19Å; F1197-L1204 HydrophobicContact CZ-CD1 4.1Å; L1204-W1213 CarbonylContact O-C 3.55Å; L1204-W1213 WeakPolarHBondContact O-CA 3.28Å; L1204-W1214 HydrophobicContact CB-CB 4.25Å; L1204-W1214 PolarHBondContact N-O 2.99Å; L1204-W1214 PolarHBondContact O-N 2.86Å; L1204-V1216 HydrophobicContact CB-CG2 3.77Å
1205V93.9Very high89.9Confident0 Ų017.8 Ų17.80%011%0.106CC..EExtended strand (participates in β ladder)trans-101.2137.6172.7174.10000109.1L1195 H1196 I1211 K1212 W1213 I1235 F1241 Y1244L1195-V1205 CarbonylContact C-O 3.52Å; L1195-V1205 VanDerWaalsContact CA-O 3.29Å; L1195-V1205 WeakPolarHBondContact CA-O 3.35Å; H1196-V1205 PolarHBondContact N-O 3.31Å; H1196-V1205 PolarHBondContact O-N 3.24Å; V1205-I1211 HydrophobicContact CG1-CG2 4.03Å; V1205-K1212 WeakPolarHBondContact CA-O 2.98Å; V1205-W1213 HydrophobicContact CG2-CD2 4.35Å; V1205-W1213 HydrophobicContact CG2-CG 3.91Å; V1205-I1235 HydrophobicContact CG1-CD1 3.82Å; V1205-I1235 HydrophobicContact CG1-CG2 4.48Å; V1205-F1241 HydrophobicContact CB-CZ 4.42Å; V1205-F1241 HydrophobicContact CG2-CE1 4.09Å; V1205-F1241 HydrophobicContact CG2-CZ 3.62Å; V1205-Y1244 HydrophobicContact CG1-CE1 4.49Å; V1205-Y1244 HydrophobicContact CG2-CE1 3.84Å
1206S92.1Very high89.6Confident0 Ų018 Ų180%011%0.107CC..EExtended strand (participates in β ladder)trans-133146.3177.561.90000111.3I1162 H1188 D1194 K1212 W1214I1162-S1206 WeakPolarHBondContact CD1-OG 3.45Å; H1188-S1206 PolarHBondContact CE1-OG 2.89Å; H1188-S1206 PolarHBondContact NE2-OG 3.46Å; D1194-S1206 WeakPolarHBondContact O-CA 3.3Å; S1206-K1212 PolarHBondContact N-O 2.49Å; S1206-K1212 PolarHBondContact O-N 2.91Å; S1206-K1212 PolarHBondContact OG-O 2.97Å; S1206-W1214 PolarHBondContact OG-NE1 2.83Å
1207T89.3Confident89.3Confident0 Ų020 Ų200%013%0.127CC..EExtended strand (participates in β ladder)trans-119.3143.3171.754.40000112.8V1192 T1193 D1194 I1211 L1232 I1235V1192-T1207 CarbonylContact C-O 3.55Å; V1192-T1207 WeakPolarHBondContact CA-O 3.34Å; T1193-T1207 PolarHBondContact N-O 2.7Å; T1193-T1207 PolarHBondContact OG1-O 2.59Å; T1193-T1207 PolarHBondContact OG1-OG1 2.97Å; D1194-T1207 WeakPolarHBondContact CB-OG1 3.44Å; D1194-T1207 PolarHBondContact N-OG1 2.85Å; D1194-T1207 PolarHBondContact O-N 2.65Å; T1207-I1211 HydrophobicContact CG2-CG1 4.31Å; T1207-L1232 HydrophobicContact CG2-CD1 4.19Å; T1207-I1235 HydrophobicContact CG2-CB 3.57Å; T1207-I1235 HydrophobicContact CG2-CD1 3.96Å; T1207-I1235 HydrophobicContact CG2-CG1 4.38Å; T1207-I1235 HydrophobicContact CG2-CG2 3.7Å
1208G83.1Confident88.8Confident1 Ų127.8 Ų27.81%0.0116%0.157CC..SBendtrans-159.8-110.7169.900000110.7W1191 Y1210 L1232W1191-G1208 WeakPolarHBondContact O-CA 3.4Å; G1208-Y1210 VanDerWaalsContact C-N 3.29Å; G1208-Y1210 PolarHBondContact N-O 2.6Å; G1208-Y1210 VanDerWaalsContact N-O 3.08Å; G1208-L1232 PolarHBondContact O-N 3.1Å
1209G75.4Confident88.2Confident10 Ų1028 Ų2810%0.10316%0.159CC..SBendtrans-63-39.5166.800000111.8H1188 G1189H1188-G1209 PolarHBondContact O-N 2.94Å; H1188-G1209 VanDerWaalsContact O-N 3.12Å; G1189-G1209 WeakPolarHBondContact O-CA 3.46Å
1210Y84.8Confident87.9Confident24 Ų2430 Ų309%0.09416%0.163CC..SBendtrans-136.6179.1179.243.2-105.4000111.3V1187 H1188 G1208 K1212 T1224 F1225 Y1226V1187-Y1210 PolarHBondContact O-OH 3.46Å; V1187-Y1210 VanDerWaalsContact O-OH 3.14Å; H1188-Y1210 WeakPolarHBondContact CA-OH 3.48Å; H1188-Y1210 AromaticContact CE1-CE2 3.79Å; H1188-Y1210 AromaticContact ND1-CD2 3.67Å; H1188-Y1210 AromaticContact ND1-CE2 3.13Å; H1188-Y1210 WeakPolarHBondContact ND1-CE2 3.38Å; H1188-Y1210 AromaticContact ND1-CZ 3.86Å; G1208-Y1210 VanDerWaalsContact C-N 3.29Å; G1208-Y1210 PolarHBondContact N-O 2.6Å; G1208-Y1210 VanDerWaalsContact N-O 3.08Å; Y1210-K1212 HydrophobicContact CD2-CB 4.47Å; Y1210-K1212 HydrophobicContact CE2-CD 3.86Å; Y1210-T1224 HydrophobicContact CD2-CG2 3.47Å; Y1210-T1224 VanDerWaalsContact CD2-CG2 3.47Å; Y1210-T1224 HydrophobicContact CE2-CG2 3.85Å; Y1210-T1224 HydrophobicContact CG-CG2 3.93Å; Y1210-F1225 WeakPolarHBondContact CB-O 3.27Å; Y1210-Y1226 HydrophobicContact CD1-CD1 4.05Å; Y1210-Y1226 AromaticContact CD1-CE1 3.77Å; Y1210-Y1226 HydrophobicContact CD1-CE1 3.77Å; Y1210-Y1226 HydrophobicContact CE1-CE1 4.17Å; Y1210-Y1226 HydrophobicContact CG-CD1 4.26Å; Y1210-Y1226 HydrophobicContact CG-CE1 4.14Å
1211I90.2Very high87.7Confident0 Ų026.9 Ų26.90%015%0.151CC..EExtended strand (participates in β ladder)trans-100.4133175.6-48170.7000108.6V1205 T1207 W1213 T1224 F1225 L1232 I1235 T1246 L1256V1205-I1211 HydrophobicContact CG1-CG2 4.03Å; T1207-I1211 HydrophobicContact CG2-CG1 4.31Å; I1211-W1213 HydrophobicContact CB-CH2 4.04Å; I1211-W1213 HydrophobicContact CB-CZ3 4.07Å; I1211-W1213 HydrophobicContact CG2-CE3 4.33Å; I1211-W1213 HydrophobicContact CG2-CH2 3.45Å; I1211-W1213 VanDerWaalsContact CG2-CH2 3.45Å; I1211-W1213 HydrophobicContact CG2-CZ2 3.86Å; I1211-W1213 HydrophobicContact CG2-CZ3 3.71Å; I1211-T1224 WeakPolarHBondContact O-CA 3.34Å; I1211-F1225 HydrophobicContact CB-CB 4.32Å; I1211-F1225 HydrophobicContact CD1-CD1 3.88Å; I1211-F1225 HydrophobicContact CG1-CD1 4.41Å; I1211-F1225 PolarHBondContact N-O 2.71Å; I1211-F1225 PolarHBondContact O-N 2.8Å; I1211-L1232 HydrophobicContact CD1-CD1 4.26Å; I1211-L1232 HydrophobicContact CG1-CD1 3.45Å; I1211-L1232 VanDerWaalsContact CG1-CD1 3.45Å; I1211-I1235 HydrophobicContact CD1-CD1 4.22Å; I1211-I1235 HydrophobicContact CG2-CD1 3.81Å; I1211-T1246 HydrophobicContact CD1-CG2 3.8Å; I1211-L1256 HydrophobicContact CD1-CD1 3.67Å
1212K89.3Confident87.5Confident0 Ų029 Ų290%016%0.161CC..EExtended strand (participates in β ladder)trans-136.3140.6-179.2-162.3158.3170.7-176.90111.8H1188 V1205 S1206 Y1210 W1214 Q1223H1188-K1212 VanDerWaalsContact CE1-CB 3.4Å; H1188-K1212 WeakPolarHBondContact CE1-CB 3.41Å; V1205-K1212 WeakPolarHBondContact CA-O 2.98Å; S1206-K1212 PolarHBondContact N-O 2.49Å; S1206-K1212 PolarHBondContact O-N 2.91Å; S1206-K1212 PolarHBondContact OG-O 2.97Å; Y1210-K1212 HydrophobicContact CD2-CB 4.47Å; Y1210-K1212 HydrophobicContact CE2-CD 3.86Å; K1212-W1214 HydrophobicContact CB-CZ2 4.48Å; K1212-W1214 HydrophobicContact CD-CH2 3.96Å; K1212-W1214 HydrophobicContact CD-CZ2 3.43Å; K1212-W1214 VanDerWaalsContact CD-CZ2 3.43Å; K1212-W1214 HydrophobicContact CG-CD2 4.39Å; K1212-W1214 HydrophobicContact CG-CZ2 3.92Å; K1212-Q1223 WeakPolarHBondContact CA-O 3.39Å
1213W91.5Very high87.4Confident0 Ų027.5 Ų27.50%015%0.147CC..EExtended strand (participates in β ladder)trans-106.7132.2175-68.3-104.9000109.1L598 F600 V1203 L1204 V1205 I1211 S1221 L1222 Q1223 F1225 Y1244 L1256L598-W1213 HydrophobicContact CD1-CB 4.33Å; L598-W1213 HydrophobicContact CD1-CG 4.49Å; F600-W1213 HydrophobicContact CD1-CZ2 4.11Å; F600-W1213 HydrophobicContact CD2-CD2 4.48Å; F600-W1213 HydrophobicContact CD2-CE3 4.29Å; F600-W1213 AromaticContact CD2-CH2 3.67Å; F600-W1213 HydrophobicContact CD2-CH2 3.67Å; F600-W1213 AromaticContact CD2-CZ2 3.88Å; F600-W1213 HydrophobicContact CD2-CZ2 3.88Å; F600-W1213 AromaticContact CD2-CZ3 3.9Å; F600-W1213 HydrophobicContact CD2-CZ3 3.9Å; F600-W1213 AromaticContact CE1-CE2 3.86Å; F600-W1213 AromaticContact CE1-CZ2 3.76Å; F600-W1213 HydrophobicContact CE1-CZ2 3.76Å; F600-W1213 AromaticContact CE1-NE1 3.89Å; F600-W1213 AromaticContact CE2-CD2 3.51Å; F600-W1213 HydrophobicContact CE2-CD2 3.51Å; F600-W1213 AromaticContact CE2-CE2 3.4Å; F600-W1213 AromaticContact CE2-CE3 3.64Å; F600-W1213 HydrophobicContact CE2-CE3 3.64Å; F600-W1213 HydrophobicContact CE2-CG 4.21Å; F600-W1213 AromaticContact CE2-CH2 3.64Å; F600-W1213 HydrophobicContact CE2-CH2 3.64Å; F600-W1213 AromaticContact CE2-CZ2 3.49Å; F600-W1213 HydrophobicContact CE2-CZ2 3.49Å; F600-W1213 VanDerWaalsContact CE2-CZ2 3.49Å; F600-W1213 AromaticContact CE2-CZ3 3.71Å; F600-W1213 HydrophobicContact CE2-CZ3 3.71Å; F600-W1213 AromaticContact CE2-NE1 3.95Å; F600-W1213 HydrophobicContact CG-CH2 4.15Å; F600-W1213 HydrophobicContact CG-CZ2 4.17Å; F600-W1213 AromaticContact CZ-CD1 3.82Å; F600-W1213 AromaticContact CZ-CD2 3.66Å; F600-W1213 HydrophobicContact CZ-CD2 3.66Å; F600-W1213 AromaticContact CZ-CE2 3.17Å; F600-W1213 HydrophobicContact CZ-CE3 4.27Å; F600-W1213 HydrophobicContact CZ-CG 4.09Å; F600-W1213 HydrophobicContact CZ-CH2 4.09Å; F600-W1213 AromaticContact CZ-CZ2 3.44Å; F600-W1213 HydrophobicContact CZ-CZ2 3.44Å; F600-W1213 VanDerWaalsContact CZ-CZ2 3.44Å; F600-W1213 HydrophobicContact CZ-CZ3 4.46Å; F600-W1213 AromaticContact CZ-NE1 3.27Å; F600-W1213 VanDerWaalsContact CZ-NE1 3.27Å; V1203-W1213 HydrophobicContact CG1-CB 4.17Å; V1203-W1213 HydrophobicContact CG1-CG 4.47Å; L1204-W1213 CarbonylContact O-C 3.55Å; L1204-W1213 WeakPolarHBondContact O-CA 3.28Å; V1205-W1213 HydrophobicContact CG2-CD2 4.35Å; V1205-W1213 HydrophobicContact CG2-CG 3.91Å; I1211-W1213 HydrophobicContact CB-CH2 4.04Å; I1211-W1213 HydrophobicContact CB-CZ3 4.07Å; I1211-W1213 HydrophobicContact CG2-CE3 4.33Å; I1211-W1213 HydrophobicContact CG2-CH2 3.45Å; I1211-W1213 VanDerWaalsContact CG2-CH2 3.45Å; I1211-W1213 HydrophobicContact CG2-CZ2 3.86Å; I1211-W1213 HydrophobicContact CG2-CZ3 3.71Å; W1213-S1221 CarbonylContact O-C 3.57Å; W1213-S1221 WeakPolarHBondContact O-CA 3.21Å; W1213-L1222 HydrophobicContact CB-CB 4.32Å; W1213-L1222 PolarHBondContact O-N 2.57Å; W1213-Q1223 HydrophobicContact CE3-CB 4.16Å; W1213-Q1223 HydrophobicContact CE3-CG 4.43Å; W1213-Q1223 PolarHBondContact N-O 3.16Å; W1213-F1225 HydrophobicContact CH2-CB 4Å; W1213-F1225 HydrophobicContact CZ3-CB 3.7Å; W1213-Y1244 HydrophobicContact CZ2-CD1 4.48Å; W1213-Y1244 HydrophobicContact CZ2-CD2 4.24Å; W1213-Y1244 HydrophobicContact CZ2-CE2 4.33Å; W1213-Y1244 HydrophobicContact CZ2-CG 4.35Å; W1213-Y1244 AromaticContact NE1-CE1 3.84Å; W1213-Y1244 AromaticContact NE1-CZ 3.54Å; W1213-Y1244 PolarHBondContact NE1-OH 2.95Å; W1213-L1256 HydrophobicContact CH2-CD1 4.26Å
1214W90.4Very high87.2Confident2 Ų227.1 Ų27.11%0.00815%0.145CC..EExtended strand (participates in β ladder)trans-120.8141.6-175-57.590.7000110.9I1162 C1176 H1188 V1203 L1204 S1206 K1212 V1216 E1220I1162-W1214 HydrophobicContact CD1-CZ2 4.21Å; C1176-W1214 HydrophobicContact CB-CD2 3.93Å; C1176-W1214 HydrophobicContact CB-CE3 3.64Å; C1176-W1214 HydrophobicContact CB-CH2 4.18Å; C1176-W1214 HydrophobicContact CB-CZ2 4.48Å; C1176-W1214 HydrophobicContact CB-CZ3 3.77Å; C1176-W1214 WeakPolarHBondContact O-CH2 3.39Å; H1188-W1214 AromaticContact CD2-CZ2 3.85Å; H1188-W1214 AromaticContact NE2-CE2 3.76Å; H1188-W1214 AromaticContact NE2-CZ2 3.34Å; H1188-W1214 VanDerWaalsContact NE2-CZ2 3.34Å; H1188-W1214 WeakPolarHBondContact NE2-CZ2 3.17Å; H1188-W1214 AromaticContact NE2-NE1 3.58Å; V1203-W1214 VanDerWaalsContact CA-O 3.3Å; V1203-W1214 WeakPolarHBondContact CA-O 3.44Å; L1204-W1214 HydrophobicContact CB-CB 4.25Å; L1204-W1214 PolarHBondContact N-O 2.99Å; L1204-W1214 PolarHBondContact O-N 2.86Å; S1206-W1214 PolarHBondContact OG-NE1 2.83Å; K1212-W1214 HydrophobicContact CB-CZ2 4.48Å; K1212-W1214 HydrophobicContact CD-CH2 3.96Å; K1212-W1214 HydrophobicContact CD-CZ2 3.43Å; K1212-W1214 VanDerWaalsContact CD-CZ2 3.43Å; K1212-W1214 HydrophobicContact CG-CD2 4.39Å; K1212-W1214 HydrophobicContact CG-CZ2 3.92Å; W1214-V1216 PolarHBondContact O-N 2.84Å; W1214-E1220 WeakPolarHBondContact CA-O 3.47Å
1215N90.1Very high86.9Confident40 Ų4027.4 Ų27.421%0.21415%0.146CC..EExtended strand (participates in β ladder)trans-78.8115.6165.9-172.8-51.4000109.1A1217 R1218 G1219 E1220 L1222N1215-A1217 VanDerWaalsContact C-N 3.26Å; N1215-A1217 PolarHBondContact O-N 2.89Å; N1215-A1217 WeakPolarHBondContact OD1-CB 3.31Å; N1215-A1217 PolarHBondContact OD1-N 2.74Å; N1215-R1218 HydrophobicContact CB-CB 4.39Å; N1215-R1218 PolarHBondContact O-N 2.9Å; N1215-R1218 PolarHBondContact OD1-N 3.38Å; N1215-R1218 VanDerWaalsContact OD1-N 3.15Å; N1215-G1219 WeakPolarHBondContact O-CA 3.42Å; N1215-G1219 PolarHBondContact O-N 2.87Å; N1215-E1220 PolarHBondContact N-O 3.27Å; N1215-L1222 HydrophobicContact CB-CD1 4.29Å; N1215-L1222 HydrophobicContact CB-CD2 4.1Å; N1215-L1222 HydrophobicContact CB-CG 4.13Å
1216V89.1Confident86.3Confident4 Ų428.6 Ų28.62%0.02415%0.15CC..THydrogen-bonded Turntrans-67-27.2-174.8-178.90000112.4I1164 F1197 A1202 L1204 W1214I1164-V1216 HydrophobicContact CD1-CB 4.43Å; I1164-V1216 HydrophobicContact CD1-CG1 3.98Å; I1164-V1216 HydrophobicContact CG2-CG1 4.38Å; F1197-V1216 HydrophobicContact CD1-CG2 4.13Å; F1197-V1216 HydrophobicContact CE1-CG1 4Å; F1197-V1216 HydrophobicContact CE1-CG2 3.88Å; A1202-V1216 WeakPolarHBondContact O-CB 3.14Å; A1202-V1216 WeakPolarHBondContact O-CG2 3.34Å; A1202-V1216 PolarHBondContact O-N 3.22Å; L1204-V1216 HydrophobicContact CB-CG2 3.77Å; W1214-V1216 PolarHBondContact O-N 2.84Å
1217A87.1Confident85.6Confident65 Ų6528.9 Ų28.954%0.53715%0.153SC..THydrogen-bonded Turntrans-81.1-41.3-179.100000112.5N1215N1215-A1217 VanDerWaalsContact C-N 3.26Å; N1215-A1217 PolarHBondContact O-N 2.89Å; N1215-A1217 WeakPolarHBondContact OD1-CB 3.31Å; N1215-A1217 PolarHBondContact OD1-N 2.74Å
1218R83.6Confident84.7Confident168 Ų16833.2 Ų33.263%0.63418%0.179SC*.THydrogen-bonded Turntrans-89.5-32.5-177.7-63.3-172.5-178.2176.7-0.8113.3N1215 E1220N1215-R1218 HydrophobicContact CB-CB 4.39Å; N1215-R1218 PolarHBondContact O-N 2.9Å; N1215-R1218 PolarHBondContact OD1-N 3.38Å; N1215-R1218 VanDerWaalsContact OD1-N 3.15Å; R1218-E1220 VanDerWaalsContact C-N 3.29Å; R1218-E1220 HydrophobicContact CB-CB 4.29Å; R1218-E1220 HydrophobicContact CB-CG 4Å; R1218-E1220 VanDerWaalsContact CD-OE2 3.31Å; R1218-E1220 WeakPolarHBondContact CD-OE2 3.44Å; R1218-E1220 IonicContact NH1-OE2 3.65Å
1219G80.3Confident83.8Confident7 Ų733.6 Ų33.67%0.07218%0.183CC..  trans83.14.7-169.700000113.7N1215N1215-G1219 WeakPolarHBondContact O-CA 3.42Å; N1215-G1219 PolarHBondContact O-N 2.87Å
1220E83.9Confident83.5Confident107 Ų10735.9 Ų35.950%0.520%0.197SC..  trans-84147.9-179.3-67.9164.8-170.300111.6W1214 N1215 R1218W1214-E1220 WeakPolarHBondContact CA-O 3.47Å; N1215-E1220 PolarHBondContact N-O 3.27Å; R1218-E1220 VanDerWaalsContact C-N 3.29Å; R1218-E1220 HydrophobicContact CB-CB 4.29Å; R1218-E1220 HydrophobicContact CB-CG 4Å; R1218-E1220 VanDerWaalsContact CD-OE2 3.31Å; R1218-E1220 WeakPolarHBondContact CD-OE2 3.44Å; R1218-E1220 IonicContact NH1-OE2 3.65Å
1221S85Confident82.8Confident53 Ų5336.7 Ų36.737%0.37121%0.209SC..EExtended strand (participates in β ladder)trans-77.3127.5172.165.10000111.1W1213W1213-S1221 CarbonylContact O-C 3.57Å; W1213-S1221 WeakPolarHBondContact O-CA 3.21Å
1222L85Confident82.4Confident57 Ų5736.7 Ų36.730%0.29821%0.209SC..EExtended strand (participates in β ladder)trans-85.3-42.1176.7-65.5174000112.1L598 V1203 W1213 N1215L598-L1222 HydrophobicContact CD1-CB 4.19Å; L598-L1222 HydrophobicContact CD1-CD1 3.92Å; V1203-L1222 HydrophobicContact CG1-CD1 4.32Å; V1203-L1222 HydrophobicContact CG2-CD1 4.03Å; W1213-L1222 HydrophobicContact CB-CB 4.32Å; W1213-L1222 PolarHBondContact O-N 2.57Å; N1215-L1222 HydrophobicContact CB-CD1 4.29Å; N1215-L1222 HydrophobicContact CB-CD2 4.1Å; N1215-L1222 HydrophobicContact CB-CG 4.13Å
1223Q86.3Confident82.2Confident14 Ų1438.5 Ų38.57%0.06522%0.217CC..EExtended strand (participates in β ladder)trans-156.6151.9180-173.363.5-63.100110.7Q570 L598 F600 K1212 W1213Q570-Q1223 HydrophobicContact CG-CG 4.41Å; L598-Q1223 HydrophobicContact CB-CB 4.36Å; L598-Q1223 WeakPolarHBondContact O-CG 3.28Å; L598-Q1223 PolarHBondContact O-NE2 3.04Å; F600-Q1223 HydrophobicContact CD2-CG 4.31Å; F600-Q1223 HydrophobicContact CE2-CB 4.38Å; F600-Q1223 HydrophobicContact CE2-CG 4.19Å; K1212-Q1223 WeakPolarHBondContact CA-O 3.39Å; W1213-Q1223 HydrophobicContact CE3-CB 4.16Å; W1213-Q1223 HydrophobicContact CE3-CG 4.43Å; W1213-Q1223 PolarHBondContact N-O 3.16Å
1224T86.3Confident82Confident17 Ų1742.5 Ų42.510%0.10423%0.234CC..EExtended strand (participates in β ladder)trans-125.2134.9171.1-49.80000109.4Y1210 I1211 Y1226Y1210-T1224 HydrophobicContact CD2-CG2 3.47Å; Y1210-T1224 VanDerWaalsContact CD2-CG2 3.47Å; Y1210-T1224 HydrophobicContact CE2-CG2 3.85Å; Y1210-T1224 HydrophobicContact CG-CG2 3.93Å; I1211-T1224 WeakPolarHBondContact O-CA 3.34Å; T1224-Y1226 HydrophobicContact CG2-CD2 4.36Å; T1224-Y1226 HydrophobicContact CG2-CE1 3.98Å; T1224-Y1226 HydrophobicContact CG2-CE2 3.8Å
1225F87.6Confident82.1Confident6 Ų642.4 Ų42.43%0.02623%0.234CC..EExtended strand (participates in β ladder)trans-116.5123.1172.6176.3-89.1000109.2Q570 Y1210 I1211 W1213 P1227 Y1254 L1256Q570-F1225 HydrophobicContact CG-CD2 4.48Å; Y1210-F1225 WeakPolarHBondContact CB-O 3.27Å; I1211-F1225 HydrophobicContact CB-CB 4.32Å; I1211-F1225 HydrophobicContact CD1-CD1 3.88Å; I1211-F1225 HydrophobicContact CG1-CD1 4.41Å; I1211-F1225 PolarHBondContact N-O 2.71Å; I1211-F1225 PolarHBondContact O-N 2.8Å; W1213-F1225 HydrophobicContact CH2-CB 4Å; W1213-F1225 HydrophobicContact CZ3-CB 3.7Å; F1225-P1227 HydrophobicContact CE1-CB 4.45Å; F1225-P1227 WeakPolarHBondContact O-CD 3.4Å; F1225-Y1254 HydrophobicContact CE1-CD1 4.2Å; F1225-Y1254 HydrophobicContact CZ-CD1 4.22Å; F1225-L1256 HydrophobicContact CD1-CD1 3.79Å; F1225-L1256 HydrophobicContact CD2-CD1 4.24Å; F1225-L1256 HydrophobicContact CD2-CD2 4.12Å; F1225-L1256 HydrophobicContact CE1-CD1 4Å; F1225-L1256 HydrophobicContact CE1-CD2 4.06Å; F1225-L1256 HydrophobicContact CE2-CD1 4.43Å; F1225-L1256 HydrophobicContact CE2-CD2 3.61Å; F1225-L1256 HydrophobicContact CG-CD1 3.93Å; F1225-L1256 HydrophobicContact CZ-CD1 4.33Å; F1225-L1256 HydrophobicContact CZ-CD2 3.58Å
1226Y81.6Confident82.2Confident25 Ų2542 Ų4210%0.09823%0.23CC..  trans-96109.7-179.9-62.1-83.7000109.8H559 E562 P566 L571 Y1210 T1224H559-Y1226 AromaticContact CE1-CD1 3.97Å; H559-Y1226 AromaticContact ND1-CD1 3.94Å; E562-Y1226 WeakPolarHBondContact OE2-CE1 3.45Å; P566-Y1226 HydrophobicContact CB-CD2 4.38Å; P566-Y1226 HydrophobicContact CB-CE2 3.68Å; L571-Y1226 HydrophobicContact CD2-CD2 4.01Å; Y1210-Y1226 HydrophobicContact CD1-CD1 4.05Å; Y1210-Y1226 AromaticContact CD1-CE1 3.77Å; Y1210-Y1226 HydrophobicContact CD1-CE1 3.77Å; Y1210-Y1226 HydrophobicContact CE1-CE1 4.17Å; Y1210-Y1226 HydrophobicContact CG-CD1 4.26Å; Y1210-Y1226 HydrophobicContact CG-CE1 4.14Å; T1224-Y1226 HydrophobicContact CG2-CD2 4.36Å; T1224-Y1226 HydrophobicContact CG2-CE1 3.98Å; T1224-Y1226 HydrophobicContact CG2-CE2 3.8Å
1227P77Confident82.3Confident7 Ų742.9 Ų42.95%0.04524%0.236CC..  trans-68.6162.1166.228.8-30.6000110.4F1225 G1229 L1232 Y1254F1225-P1227 HydrophobicContact CE1-CB 4.45Å; F1225-P1227 WeakPolarHBondContact O-CD 3.4Å; P1227-G1229 CarbonylContact C-O 3.59Å; P1227-G1229 WeakPolarHBondContact CG-O 3.19Å; P1227-L1232 HydrophobicContact CG-CD1 4.2Å; P1227-L1232 HydrophobicContact CG-CD2 4.19Å; P1227-L1232 HydrophobicContact CG-CG 4.35Å; P1227-Y1254 HydrophobicContact CB-CD2 4.47Å; P1227-Y1254 HydrophobicContact CB-CE1 4.42Å; P1227-Y1254 HydrophobicContact CB-CE2 3.82Å
1228T71.3Confident82.5Confident91 Ų9140.2 Ų40.256%0.55821%0.213SC*.SBendtrans-73.3-33.7176.753.30000111.9I1252 Y1254T1228-I1252 WeakPolarHBondContact OG1-CD1 3.49Å; T1228-Y1254 PolarHBondContact N-OH 2.87Å; T1228-Y1254 PolarHBondContact OG1-OH 3.15Å
1229G64.8Low82.6Confident8 Ų837.4 Ų37.48%0.08222%0.217CC..SBendtrans-89-173.1167.500000112.8P1227 D1248 N1249P1227-G1229 CarbonylContact C-O 3.59Å; P1227-G1229 WeakPolarHBondContact CG-O 3.19Å; G1229-D1248 VanDerWaalsContact CA-OD2 3.23Å; G1229-D1248 WeakPolarHBondContact CA-OD2 3.48Å; G1229-D1248 PolarHBondContact N-OD2 3.05Å; G1229-N1249 VanDerWaalsContact CA-OD1 3.29Å; G1229-N1249 WeakPolarHBondContact CA-OD1 3.41Å
1230S68Low82.9Confident58 Ų5842.2 Ų42.241%0.40624%0.241SC..  trans-130.5-179.3179.167.40000112N1249S1230-N1249 PolarHBondContact N-OD1 2.84Å; S1230-N1249 VanDerWaalsContact O-CB 3.28Å; S1230-N1249 WeakPolarHBondContact O-CB 3.38Å; S1230-N1249 PolarHBondContact O-N 2.87Å; S1230-N1249 PolarHBondContact O-OD1 3.14Å; S1230-N1249 VanDerWaalsContact O-OD1 3.08Å; S1230-N1249 PolarHBondContact OG-ND2 2.76Å
1231A70.8Confident83.2Confident41 Ų4138.4 Ų38.434%0.33922%0.223SC..  trans54.558.4173.700000113.9R928R928-A1231 WeakPolarHBondContact CD-O 3.37Å; R928-A1231 PolarHBondContact NH1-O 2.97Å
1232L82.5Confident83.4Confident0 Ų037 Ų370%021%0.213CC..  trans-61.6139.1174.1-59174.7000110.5T1193 T1207 G1208 I1211 P1227 T1246 D1248T1193-L1232 WeakPolarHBondContact CB-O 3.49Å; T1193-L1232 VanDerWaalsContact CG2-O 3.23Å; T1193-L1232 WeakPolarHBondContact CG2-O 3.37Å; T1193-L1232 PolarHBondContact OG1-O 3.33Å; T1207-L1232 HydrophobicContact CG2-CD1 4.19Å; G1208-L1232 PolarHBondContact O-N 3.1Å; I1211-L1232 HydrophobicContact CD1-CD1 4.26Å; I1211-L1232 HydrophobicContact CG1-CD1 3.45Å; I1211-L1232 VanDerWaalsContact CG1-CD1 3.45Å; P1227-L1232 HydrophobicContact CG-CD1 4.2Å; P1227-L1232 HydrophobicContact CG-CD2 4.19Å; P1227-L1232 HydrophobicContact CG-CG 4.35Å; L1232-T1246 HydrophobicContact CD2-CG2 4.19Å; L1232-D1248 HydrophobicContact CD2-CB 3.94Å
1233K83.9Confident83.6Confident39 Ų3935 Ų3517%0.1720%0.203CC..  trans-96.3-45.8-175.6-171.3177.3-179.2177.40114.2R928 D929R928-K1233 HydrophobicContact CB-CB 4.02Å; R928-K1233 HydrophobicContact CB-CD 4.25Å; D929-K1233 WeakPolarHBondContact OD1-CE 3.44Å; D929-K1233 IonicContact OD1-NZ 3.48Å; D929-K1233 PolarHBondContact OD1-NZ 3.2Å; D929-K1233 IonicContact OD2-NZ 3.1Å; D929-K1233 PolarHBondContact OD2-NZ 2.72Å; D929-K1233 VanDerWaalsContact OD2-NZ 3.08Å
1234K87.8Confident83.9Confident83 Ų8334.5 Ų34.536%0.36120%0.201SC..  trans-147.7147.2-177.6-75-173.6176.6-174.20109.1T1246K1234-T1246 PolarHBondContact O-OG1 3.2Å; K1234-T1246 VanDerWaalsContact O-OG1 3.13Å
1235I92.2Very high84.1Confident1 Ų133.7 Ų33.71%0.00520%0.196CC..  trans-115.8132.2168.9-173.6156.3000109.4D1194 H1196 V1205 T1207 I1211 V1237 Y1244D1194-I1235 HydrophobicContact CB-CG2 4.43Å; D1194-I1235 PolarHBondContact OD2-N 3.08Å; H1196-I1235 VanDerWaalsContact CD2-CG2 3.44Å; H1196-I1235 WeakPolarHBondContact CD2-CG2 3.29Å; H1196-I1235 PolarHBondContact CE1-O 2.76Å; H1196-I1235 PolarHBondContact NE2-O 2.85Å; V1205-I1235 HydrophobicContact CG1-CD1 3.82Å; V1205-I1235 HydrophobicContact CG1-CG2 4.48Å; T1207-I1235 HydrophobicContact CG2-CB 3.57Å; T1207-I1235 HydrophobicContact CG2-CD1 3.96Å; T1207-I1235 HydrophobicContact CG2-CG1 4.38Å; T1207-I1235 HydrophobicContact CG2-CG2 3.7Å; I1211-I1235 HydrophobicContact CD1-CD1 4.22Å; I1211-I1235 HydrophobicContact CG2-CD1 3.81Å; I1235-V1237 HydrophobicContact CG1-CG2 4.28Å; I1235-V1237 HydrophobicContact CG2-CG2 4.47Å; I1235-Y1244 HydrophobicContact CD1-CD1 4.03Å; I1235-Y1244 HydrophobicContact CD1-CG 4.47Å; I1235-Y1244 HydrophobicContact CG1-CD1 4.44Å
1236H92Very high84.3Confident30 Ų3033.5 Ų33.514%0.13920%0.195CC..EExtended strand (participates in β ladder)trans-100.3126.5173.7-62.5-83.5000108.4S930 D931 V932 F934 Y1244 V1245S930-H1236 PolarHBondContact O-NE2 2.86Å; S930-H1236 VanDerWaalsContact O-NE2 3.15Å; D931-H1236 IonicContact OD1-CE1 2.76Å; V932-H1236 HydrophobicContact CB-CB 3.9Å; V932-H1236 HydrophobicContact CG1-CB 4.48Å; V932-H1236 HydrophobicContact CG2-CB 3.84Å; V932-H1236 VanDerWaalsContact CG2-CD2 3.41Å; V932-H1236 WeakPolarHBondContact CG2-CD2 3.33Å; F934-H1236 HydrophobicContact CE2-CB 4.18Å; F934-H1236 HydrophobicContact CZ-CB 4.22Å; H1236-Y1244 CarbonylContact O-C 3.58Å; H1236-Y1244 WeakPolarHBondContact O-CA 3.48Å; H1236-V1245 HydrophobicContact CB-CB 4.27Å; H1236-V1245 PolarHBondContact N-O 3.4Å; H1236-V1245 PolarHBondContact O-N 3.08Å
1237V92.2Very high84.5Confident24 Ų2432.5 Ų32.515%0.14519%0.191CC..EExtended strand (participates in β ladder)trans-116135.4-175.8-169.50000109.4F934 H1196 I1235 F1241 Y1244F934-V1237 WeakPolarHBondContact CE2-O 3.47Å; H1196-V1237 HydrophobicContact CB-CG2 3.85Å; I1235-V1237 HydrophobicContact CG1-CG2 4.28Å; I1235-V1237 HydrophobicContact CG2-CG2 4.47Å; V1237-F1241 HydrophobicContact CG1-CD2 3.42Å; V1237-F1241 VanDerWaalsContact CG1-CD2 3.42Å; V1237-F1241 HydrophobicContact CG1-CE2 3.71Å; V1237-F1241 HydrophobicContact CG1-CG 4.24Å; V1237-Y1244 HydrophobicContact CB-CD1 4.31Å; V1237-Y1244 HydrophobicContact CB-CE1 4.41Å; V1237-Y1244 HydrophobicContact CG1-CD1 3.83Å; V1237-Y1244 HydrophobicContact CG1-CE1 3.53Å; V1237-Y1244 HydrophobicContact CG2-CD1 3.83Å; V1237-Y1244 HydrophobicContact CG2-CE1 4.08Å
1238S91.2Very high84.5Confident8 Ų832.1 Ų32.16%0.05619%0.189CC..  trans-69.1153.9176.562.50000111.8D1240 F1241 S1242 T1243S1238-D1240 WeakPolarHBondContact CB-OD1 3.41Å; S1238-D1240 PolarHBondContact O-N 2.82Å; S1238-D1240 PolarHBondContact OG-OD1 3.2Å; S1238-F1241 PolarHBondContact O-N 3.33Å; S1238-S1242 PolarHBondContact OG-N 3.17Å; S1238-T1243 PolarHBondContact N-O 3.25Å; S1238-T1243 PolarHBondContact OG-N 3.07Å; S1238-T1243 PolarHBondContact OG-O 3.39Å
1239P85.8Confident84.5Confident110 Ų11031.2 Ų31.271%0.71418%0.18SC*.THydrogen-bonded Turntrans-59.5-30.1-178.8-26.235.2000114.8F1241P1239-F1241 VanDerWaalsContact C-N 3.29Å
1240D86.8Confident84.6Confident108 Ų10832.5 Ų32.558%0.57819%0.185SC*.THydrogen-bonded Turntrans-83.6-2.5176.468.1-17.8000113.4S1238 S1242S1238-D1240 WeakPolarHBondContact CB-OD1 3.41Å; S1238-D1240 PolarHBondContact O-N 2.82Å; S1238-D1240 PolarHBondContact OG-OD1 3.2Å; D1240-S1242 PolarHBondContact O-N 2.92Å; D1240-S1242 PolarHBondContact OD1-N 2.88Å; D1240-S1242 PolarHBondContact OD1-OG 3.44Å; D1240-S1242 VanDerWaalsContact OD2-CB 3.28Å; D1240-S1242 WeakPolarHBondContact OD2-CB 3.47Å; D1240-S1242 PolarHBondContact OD2-OG 3.01Å
1241F89.6Confident84.7Confident27 Ų2730 Ų3012%0.11817%0.168CC..SBendtrans60.524-179.2-147.3-105.3000114.3F1197 S1198 P1199 V1203 V1205 V1237 S1238 P1239 Y1244F1197-F1241 WeakPolarHBondContact O-CE2 3.07Å; S1198-F1241 VanDerWaalsContact CB-CE1 3.44Å; P1199-F1241 HydrophobicContact CG-CB 4.23Å; V1203-F1241 HydrophobicContact CB-CE1 4.21Å; V1203-F1241 HydrophobicContact CG1-CE1 4.12Å; V1205-F1241 HydrophobicContact CB-CZ 4.42Å; V1205-F1241 HydrophobicContact CG2-CE1 4.09Å; V1205-F1241 HydrophobicContact CG2-CZ 3.62Å; V1237-F1241 HydrophobicContact CG1-CD2 3.42Å; V1237-F1241 VanDerWaalsContact CG1-CD2 3.42Å; V1237-F1241 HydrophobicContact CG1-CE2 3.71Å; V1237-F1241 HydrophobicContact CG1-CG 4.24Å; S1238-F1241 PolarHBondContact O-N 3.33Å; P1239-F1241 VanDerWaalsContact C-N 3.29Å; F1241-Y1244 WeakPolarHBondContact CD1-OH 3.5Å; F1241-Y1244 HydrophobicContact CE1-CE1 4.43Å; F1241-Y1244 WeakPolarHBondContact CE1-OH 3.49Å; F1241-Y1244 HydrophobicContact CE2-CE1 4.43Å; F1241-Y1244 HydrophobicContact CZ-CE1 4.32Å; F1241-Y1244 PolarHBondContact O-OH 2.83Å
1242S88Confident85Confident24 Ų2430.5 Ų30.517%0.16817%0.165CC..  trans-96-28.317975.40000113S1238 D1240 K1257 K1258S1238-S1242 PolarHBondContact OG-N 3.17Å; D1240-S1242 PolarHBondContact O-N 2.92Å; D1240-S1242 PolarHBondContact OD1-N 2.88Å; D1240-S1242 PolarHBondContact OD1-OG 3.44Å; D1240-S1242 VanDerWaalsContact OD2-CB 3.28Å; D1240-S1242 WeakPolarHBondContact OD2-CB 3.47Å; D1240-S1242 PolarHBondContact OD2-OG 3.01Å; S1242-K1257 CarbonylContact O-C 3.58Å; S1242-K1257 WeakPolarHBondContact O-CA 3.2Å; S1242-K1258 WeakPolarHBondContact O-CB 3.41Å; S1242-K1258 PolarHBondContact O-N 2.84Å
1243T90.6Very high85.1Confident13 Ų1330.8 Ų30.88%0.0817%0.166CC..EExtended strand (participates in β ladder)trans-126137.7-169.9-51.50000111.5I939 S1238 I1255 L1256I939-T1243 HydrophobicContact CD1-CG2 3.67Å; S1238-T1243 PolarHBondContact N-O 3.25Å; S1238-T1243 PolarHBondContact OG-N 3.07Å; S1238-T1243 PolarHBondContact OG-O 3.39Å; T1243-I1255 HydrophobicContact CG2-CG2 4.21Å; T1243-L1256 CarbonylContact C-O 3.59Å; T1243-L1256 VanDerWaalsContact CA-O 3.26Å; T1243-L1256 WeakPolarHBondContact CA-O 3.5Å
1244Y92.2Very high85.2Confident5 Ų529.4 Ų29.42%0.0216%0.16CC..EExtended strand (participates in β ladder)trans-131.7135.6-175.1-52.1-96.7000109.6F600 V1205 W1213 I1235 H1236 V1237 F1241 I1255 L1256F600-Y1244 HydrophobicContact CD1-CD2 4.25Å; F600-Y1244 HydrophobicContact CD1-CE2 4.13Å; F600-Y1244 HydrophobicContact CE1-CD2 4.1Å; F600-Y1244 AromaticContact CE1-CE2 3.56Å; F600-Y1244 HydrophobicContact CE1-CE2 3.56Å; F600-Y1244 HydrophobicContact CZ-CE2 4.43Å; V1205-Y1244 HydrophobicContact CG1-CE1 4.49Å; V1205-Y1244 HydrophobicContact CG2-CE1 3.84Å; W1213-Y1244 HydrophobicContact CZ2-CD1 4.48Å; W1213-Y1244 HydrophobicContact CZ2-CD2 4.24Å; W1213-Y1244 HydrophobicContact CZ2-CE2 4.33Å; W1213-Y1244 HydrophobicContact CZ2-CG 4.35Å; W1213-Y1244 AromaticContact NE1-CE1 3.84Å; W1213-Y1244 AromaticContact NE1-CZ 3.54Å; W1213-Y1244 PolarHBondContact NE1-OH 2.95Å; I1235-Y1244 HydrophobicContact CD1-CD1 4.03Å; I1235-Y1244 HydrophobicContact CD1-CG 4.47Å; I1235-Y1244 HydrophobicContact CG1-CD1 4.44Å; H1236-Y1244 CarbonylContact O-C 3.58Å; H1236-Y1244 WeakPolarHBondContact O-CA 3.48Å; V1237-Y1244 HydrophobicContact CB-CD1 4.31Å; V1237-Y1244 HydrophobicContact CB-CE1 4.41Å; V1237-Y1244 HydrophobicContact CG1-CD1 3.83Å; V1237-Y1244 HydrophobicContact CG1-CE1 3.53Å; V1237-Y1244 HydrophobicContact CG2-CD1 3.83Å; V1237-Y1244 HydrophobicContact CG2-CE1 4.08Å; F1241-Y1244 WeakPolarHBondContact CD1-OH 3.5Å; F1241-Y1244 HydrophobicContact CE1-CE1 4.43Å; F1241-Y1244 WeakPolarHBondContact CE1-OH 3.49Å; F1241-Y1244 HydrophobicContact CE2-CE1 4.43Å; F1241-Y1244 HydrophobicContact CZ-CE1 4.32Å; F1241-Y1244 PolarHBondContact O-OH 2.83Å; Y1244-I1255 WeakPolarHBondContact O-CA 3.23Å; Y1244-L1256 PolarHBondContact N-O 2.83Å; Y1244-L1256 PolarHBondContact O-N 2.84Å
1245V91.3Very high85.2Confident0 Ų025.4 Ų25.40%014%0.143CC..EExtended strand (participates in β ladder)trans-126.8128.9180-1770000110V932 F934 I939 V941 H1236 L1253 Y1254 I1255V932-V1245 HydrophobicContact CG1-CB 4.38Å; V932-V1245 HydrophobicContact CG1-CG2 4.18Å; V932-V1245 HydrophobicContact CG2-CB 4.04Å; V932-V1245 HydrophobicContact CG2-CG1 3.73Å; F934-V1245 HydrophobicContact CE1-CG2 4.18Å; F934-V1245 HydrophobicContact CZ-CG2 4.18Å; I939-V1245 HydrophobicContact CG2-CG2 4.14Å; V941-V1245 HydrophobicContact CG2-CG1 3.9Å; H1236-V1245 HydrophobicContact CB-CB 4.27Å; H1236-V1245 PolarHBondContact N-O 3.4Å; H1236-V1245 PolarHBondContact O-N 3.08Å; V1245-L1253 HydrophobicContact CG1-CD1 3.76Å; V1245-Y1254 VanDerWaalsContact CA-O 3.3Å; V1245-Y1254 WeakPolarHBondContact CA-O 3.36Å; V1245-I1255 HydrophobicContact CG1-CG1 4.24Å; V1245-I1255 HydrophobicContact CG2-CG1 4.17Å; V1245-I1255 HydrophobicContact CG2-CG2 4.23Å
1246T90.6Very high85.1Confident2 Ų225.4 Ų25.41%0.01214%0.143CC..EExtended strand (participates in β ladder)trans-148.7164.6176.5-1710000111.5I1211 L1232 K1234 Y1254I1211-T1246 HydrophobicContact CD1-CG2 3.8Å; L1232-T1246 HydrophobicContact CD2-CG2 4.19Å; K1234-T1246 PolarHBondContact O-OG1 3.2Å; K1234-T1246 VanDerWaalsContact O-OG1 3.13Å; T1246-Y1254 HydrophobicContact CG2-CD2 4.15Å; T1246-Y1254 HydrophobicContact CG2-CG 4.44Å; T1246-Y1254 PolarHBondContact N-O 2.93Å; T1246-Y1254 PolarHBondContact O-N 3.34Å
1247I86.2Confident84.9Confident3 Ų328.5 Ų28.52%0.01516%0.156CC..EExtended strand (participates in β ladder)trans-131.1131.7174.8-54.8-179.9000108.1L926 A943 I1252 L1253L926-I1247 HydrophobicContact CB-CD1 3.95Å; L926-I1247 HydrophobicContact CB-CG2 4.11Å; L926-I1247 HydrophobicContact CD1-CD1 4.07Å; A943-I1247 HydrophobicContact CB-CD1 3.7Å; I1247-I1252 WeakPolarHBondContact CA-O 3.44Å; I1247-L1253 HydrophobicContact CD1-CD1 4.22Å; I1247-L1253 HydrophobicContact CG1-CD1 3.77Å
1248D77.7Confident84.7Confident0 Ų031.8 Ų31.80%017%0.168CC..  trans-83.4-179.7177.670.22.7000113.3R928 G1229 L1232 I1250 G1251 I1252 Y1254R928-D1248 WeakPolarHBondContact CG-O 3.41Å; G1229-D1248 VanDerWaalsContact CA-OD2 3.23Å; G1229-D1248 WeakPolarHBondContact CA-OD2 3.48Å; G1229-D1248 PolarHBondContact N-OD2 3.05Å; L1232-D1248 HydrophobicContact CD2-CB 3.94Å; D1248-I1250 VanDerWaalsContact C-N 3.3Å; D1248-I1250 PolarHBondContact OD1-N 2.76Å; D1248-G1251 PolarHBondContact O-N 3.08Å; D1248-G1251 PolarHBondContact OD1-N 3.37Å; D1248-I1252 PolarHBondContact N-O 2.89Å; D1248-I1252 PolarHBondContact OD1-N 2.67Å; D1248-Y1254 HydrophobicContact CB-CE2 3.87Å; D1248-Y1254 PolarHBondContact OD2-OH 3.29Å
1249N70.2Confident84.3Confident71 Ų7132.5 Ų32.538%0.3817%0.172SC..SBendtrans-68.9-24.9176.663.5-18.8000114G1229 S1230 G1251G1229-N1249 VanDerWaalsContact CA-OD1 3.29Å; G1229-N1249 WeakPolarHBondContact CA-OD1 3.41Å; S1230-N1249 PolarHBondContact N-OD1 2.84Å; S1230-N1249 VanDerWaalsContact O-CB 3.28Å; S1230-N1249 WeakPolarHBondContact O-CB 3.38Å; S1230-N1249 PolarHBondContact O-N 2.87Å; S1230-N1249 PolarHBondContact O-OD1 3.14Å; S1230-N1249 VanDerWaalsContact O-OD1 3.08Å; S1230-N1249 PolarHBondContact OG-ND2 2.76Å; N1249-G1251 VanDerWaalsContact C-N 3.27Å
1250I66.9Low83.2Confident36 Ų3634.3 Ų34.319%0.18520%0.196CC..SBendtrans-74.9-23.9174.6-56.5176.3000110.1Y866 C925 D1248 I1252Y866-I1250 HydrophobicContact CE2-CD1 4.23Å; C925-I1250 VanDerWaalsContact CB-O 3.3Å; C925-I1250 WeakPolarHBondContact CB-O 3.36Å; C925-I1250 PolarHBondContact SG-O 3.43Å; C925-I1250 VanDerWaalsContact SG-O 3.36Å; D1248-I1250 VanDerWaalsContact C-N 3.3Å; D1248-I1250 PolarHBondContact OD1-N 2.76Å; I1250-I1252 HydrophobicContact CG2-CD1 4.47Å; I1250-I1252 HydrophobicContact CG2-CG1 4.33Å
1251G70.8Confident83Confident4 Ų430.6 Ų30.64%0.04118%0.177CC..  trans96.522.417700000114.1L926 D1248 N1249L926-G1251 PolarHBondContact N-O 3.06Å; L926-G1251 WeakPolarHBondContact O-CA 3.12Å; D1248-G1251 PolarHBondContact O-N 3.08Å; D1248-G1251 PolarHBondContact OD1-N 3.37Å; N1249-G1251 VanDerWaalsContact C-N 3.27Å
1252I77.6Confident82.7Confident53 Ų5330.8 Ų30.827%0.27218%0.18SC..  trans-81.9127.2173.6-59.2-175.1000108.9T1228 I1247 D1248 I1250 Y1254T1228-I1252 WeakPolarHBondContact OG1-CD1 3.49Å; I1247-I1252 WeakPolarHBondContact CA-O 3.44Å; D1248-I1252 PolarHBondContact N-O 2.89Å; D1248-I1252 PolarHBondContact OD1-N 2.67Å; I1250-I1252 HydrophobicContact CG2-CD1 4.47Å; I1250-I1252 HydrophobicContact CG2-CG1 4.33Å; I1252-Y1254 HydrophobicContact CB-CE2 3.94Å; I1252-Y1254 HydrophobicContact CG2-CD2 4.47Å; I1252-Y1254 HydrophobicContact CG2-CE1 3.96Å; I1252-Y1254 HydrophobicContact CG2-CE2 3.92Å; I1252-Y1254 WeakPolarHBondContact O-CD2 3.47Å; I1252-Y1254 WeakPolarHBondContact O-CE2 3.48Å
1253L83.4Confident82.4Confident6 Ų631.2 Ų31.23%0.03118%0.181CC..EExtended strand (participates in β ladder)trans-78.7127.3172.3178.560.5000109.5N604 L926 V941 V1245 I1247 I1255N604-L1253 PolarHBondContact ND2-O 3.43Å; L926-L1253 HydrophobicContact CD1-CB 4.05Å; L926-L1253 HydrophobicContact CD1-CD2 4.49Å; V941-L1253 HydrophobicContact CB-CD2 4.36Å; V941-L1253 HydrophobicContact CG1-CD1 3.9Å; V941-L1253 HydrophobicContact CG1-CD2 4.31Å; V941-L1253 HydrophobicContact CG2-CD1 4.38Å; V941-L1253 HydrophobicContact CG2-CD2 4.33Å; V1245-L1253 HydrophobicContact CG1-CD1 3.76Å; I1247-L1253 HydrophobicContact CD1-CD1 4.22Å; I1247-L1253 HydrophobicContact CG1-CD1 3.77Å; L1253-I1255 HydrophobicContact CD1-CG1 4.39Å; L1253-I1255 HydrophobicContact CD2-CD1 4.11Å; L1253-I1255 HydrophobicContact CD2-CG1 4.46Å; L1253-I1255 HydrophobicContact CG-CD1 4.33Å; L1253-I1255 HydrophobicContact CG-CG1 4.13Å
1254Y85.9Confident81.9Confident9 Ų932.2 Ų32.24%0.03519%0.186CC..EExtended strand (participates in β ladder)trans-112.5125.8172.6-60.8-84.2000110.2L602 F1225 P1227 T1228 V1245 T1246 D1248 I1252L602-Y1254 HydrophobicContact CD1-CD1 3.93Å; L602-Y1254 HydrophobicContact CD2-CD1 4.2Å; F1225-Y1254 HydrophobicContact CE1-CD1 4.2Å; F1225-Y1254 HydrophobicContact CZ-CD1 4.22Å; P1227-Y1254 HydrophobicContact CB-CD2 4.47Å; P1227-Y1254 HydrophobicContact CB-CE1 4.42Å; P1227-Y1254 HydrophobicContact CB-CE2 3.82Å; T1228-Y1254 PolarHBondContact N-OH 2.87Å; T1228-Y1254 PolarHBondContact OG1-OH 3.15Å; V1245-Y1254 VanDerWaalsContact CA-O 3.3Å; V1245-Y1254 WeakPolarHBondContact CA-O 3.36Å; T1246-Y1254 HydrophobicContact CG2-CD2 4.15Å; T1246-Y1254 HydrophobicContact CG2-CG 4.44Å; T1246-Y1254 PolarHBondContact N-O 2.93Å; T1246-Y1254 PolarHBondContact O-N 3.34Å; D1248-Y1254 HydrophobicContact CB-CE2 3.87Å; D1248-Y1254 PolarHBondContact OD2-OH 3.29Å; I1252-Y1254 HydrophobicContact CB-CE2 3.94Å; I1252-Y1254 HydrophobicContact CG2-CD2 4.47Å; I1252-Y1254 HydrophobicContact CG2-CE1 3.96Å; I1252-Y1254 HydrophobicContact CG2-CE2 3.92Å; I1252-Y1254 WeakPolarHBondContact O-CD2 3.47Å; I1252-Y1254 WeakPolarHBondContact O-CE2 3.48Å
1255I88.3Confident81.3Confident0 Ų033.9 Ų33.90%020%0.197CC..EExtended strand (participates in β ladder)trans-121.699.9172.5-56.6-178.8000107.8I603 N604 I939 V941 G955 T1243 Y1244 V1245 L1253I603-I1255 HydrophobicContact CD1-CG2 4.07Å; I603-I1255 PolarHBondContact N-O 2.97Å; N604-I1255 HydrophobicContact CB-CD1 4.41Å; N604-I1255 PolarHBondContact OD1-N 3.24Å; N604-I1255 VanDerWaalsContact OD1-N 3.07Å; I939-I1255 HydrophobicContact CD1-CG2 4.1Å; V941-I1255 HydrophobicContact CG2-CD1 4.34Å; G955-I1255 VanDerWaalsContact O-CD1 3.23Å; G955-I1255 WeakPolarHBondContact O-CD1 3.33Å; T1243-I1255 HydrophobicContact CG2-CG2 4.21Å; Y1244-I1255 WeakPolarHBondContact O-CA 3.23Å; V1245-I1255 HydrophobicContact CG1-CG1 4.24Å; V1245-I1255 HydrophobicContact CG2-CG1 4.17Å; V1245-I1255 HydrophobicContact CG2-CG2 4.23Å; L1253-I1255 HydrophobicContact CD1-CG1 4.39Å; L1253-I1255 HydrophobicContact CD2-CD1 4.11Å; L1253-I1255 HydrophobicContact CD2-CG1 4.46Å; L1253-I1255 HydrophobicContact CG-CD1 4.33Å; L1253-I1255 HydrophobicContact CG-CG1 4.13Å
1256L89.6Confident80.6Confident1 Ų136.2 Ų36.21%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-97.3128.2-176.1-57.2176.1000109.8F600 E601 L602 I1211 W1213 F1225 T1243 Y1244F600-L1256 HydrophobicContact CB-CB 4.35Å; E601-L1256 CarbonylContact O-C 3.58Å; E601-L1256 WeakPolarHBondContact O-CA 3.45Å; L602-L1256 HydrophobicContact CB-CD2 4.25Å; L602-L1256 HydrophobicContact CD1-CD2 3.86Å; I1211-L1256 HydrophobicContact CD1-CD1 3.67Å; W1213-L1256 HydrophobicContact CH2-CD1 4.26Å; F1225-L1256 HydrophobicContact CD1-CD1 3.79Å; F1225-L1256 HydrophobicContact CD2-CD1 4.24Å; F1225-L1256 HydrophobicContact CD2-CD2 4.12Å; F1225-L1256 HydrophobicContact CE1-CD1 4Å; F1225-L1256 HydrophobicContact CE1-CD2 4.06Å; F1225-L1256 HydrophobicContact CE2-CD1 4.43Å; F1225-L1256 HydrophobicContact CE2-CD2 3.61Å; F1225-L1256 HydrophobicContact CG-CD1 3.93Å; F1225-L1256 HydrophobicContact CZ-CD1 4.33Å; F1225-L1256 HydrophobicContact CZ-CD2 3.58Å; T1243-L1256 CarbonylContact C-O 3.59Å; T1243-L1256 VanDerWaalsContact CA-O 3.26Å; T1243-L1256 WeakPolarHBondContact CA-O 3.5Å; Y1244-L1256 PolarHBondContact N-O 2.83Å; Y1244-L1256 PolarHBondContact O-N 2.84Å
1257K88.9Confident79.9Confident95 Ų9538.6 Ų38.641%0.41322%0.224SC..EExtended strand (participates in β ladder)trans-117.9134.7172.1-176.1176-179.1-176.70110F600 E601 I603 S1242 V1259F600-K1257 CarbonylContact C-O 3.5Å; F600-K1257 WeakPolarHBondContact CA-O 3.45Å; E601-K1257 PolarHBondContact N-O 2.91Å; E601-K1257 PolarHBondContact O-N 3.08Å; I603-K1257 HydrophobicContact CD1-CB 3.48Å; I603-K1257 VanDerWaalsContact CD1-CB 3.48Å; I603-K1257 HydrophobicContact CD1-CD 3.95Å; I603-K1257 HydrophobicContact CD1-CG 4.33Å; I603-K1257 HydrophobicContact CG1-CB 4.01Å; S1242-K1257 CarbonylContact O-C 3.58Å; S1242-K1257 WeakPolarHBondContact O-CA 3.2Å; K1257-V1259 PolarHBondContact O-N 3.11Å
1258K88Confident79.4Confident93 Ų9341.4 Ų41.440%0.40424%0.24SC..EExtended strand (participates in β ladder)trans-62.5129.2176.2-173.5-178.3170.4-176.40110L598 F600 S1242L598-K1258 HydrophobicContact CD2-CD 4.37Å; L598-K1258 VanDerWaalsContact CD2-CE 3.49Å; F600-K1258 HydrophobicContact CD1-CB 4.14Å; F600-K1258 HydrophobicContact CE1-CB 3.99Å; F600-K1258 HydrophobicContact CE1-CG 4.22Å; S1242-K1258 WeakPolarHBondContact O-CB 3.41Å; S1242-K1258 PolarHBondContact O-N 2.84Å
1259V82.1Confident79.5Confident22 Ų2244.8 Ų44.813%0.13326%0.26CS..  trans-70.7128.2171.7-176.80000107.9L573 L590 Y599 E601 K1257L573-V1259 HydrophobicContact CD1-CG2 4.44Å; L590-V1259 HydrophobicContact CD2-CG1 3.82Å; L590-V1259 HydrophobicContact CG-CG1 4.42Å; Y599-V1259 PolarHBondContact O-N 3.18Å; E601-V1259 HydrophobicContact CB-CG2 4.03Å; K1257-V1259 PolarHBondContact O-N 3.11Å
1260A62.8Low80.4Confident148 Ų14842.5 Ų42.5100%1.22325%0.249SC*.  trans-80.90-172.600000112.6L590L590-A1260 WeakPolarHBondContact CD2-O 3.38Å

Retrieved 1,260 of 1,260 residues in 514.1 ms (Link to these results)

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