A0A3Q0KRT8_SCHMA Loading...

O-phosphoseryl-tRNA(Sec) selenium transferase

Converts O-phosphoseryl-tRNA(Sec) to selenocysteinyl-tRNA(Sec) required for selenoprotein biosynthesis.

AlphaFold DB , UniProt , Accession A0A3Q0KRT8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 586 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
1M65.1Low86.3Confident179 Ų179100.5 Ų100.588%0.88248%0.475SS*.  0-65.20-160.1-174.9-71.800111.8D4 I5M1-D4 WeakPolarHBondContact CA-OD2 3.27Å; M1-D4 PolarHBondContact N-OD2 3.13Å; M1-D4 WeakPolarHBondContact O-CB 3.18Å; M1-D4 PolarHBondContact O-N 3.24Å; M1-I5 HydrophobicContact CG-CD1 4.02Å; M1-I5 VanDerWaalsContact O-CG1 3.27Å; M1-I5 WeakPolarHBondContact O-CG1 3.44Å; M1-I5 PolarHBondContact O-N 2.61Å
2E75.6Confident87.1Confident66 Ų66106.7 Ų106.731%0.30849%0.493SS..Hα-helixtrans-69.3-42.3-176.3-165.4-177.8128.600113.9D4 I5 L6 S25 K29E2-D4 PolarHBondContact O-N 3.19Å; E2-I5 PolarHBondContact O-N 2.82Å; E2-I5 VanDerWaalsContact O-N 3.09Å; E2-L6 HydrophobicContact CG-CD1 4.4Å; E2-L6 WeakPolarHBondContact O-CG 3.36Å; E2-L6 PolarHBondContact O-N 3.01Å; E2-S25 WeakPolarHBondContact OE1-CB 3.21Å; E2-S25 PolarHBondContact OE1-OG 2.98Å; E2-K29 IonicContact OE1-NZ 3.64Å; E2-K29 PolarHBondContact OE1-NZ 2.74Å; E2-K29 VanDerWaalsContact OE1-NZ 3.09Å; E2-K29 WeakPolarHBondContact OE2-CE 3.12Å; E2-K29 IonicContact OE2-NZ 3.86Å; E2-K29 PolarHBondContact OE2-NZ 3.48Å
3D80.6Confident87.6Confident111 Ų111104.2 Ų104.259%0.59448%0.484SS*.Hα-helixtrans-61.9-33174.6-63.3-35.8000111.2R7D3-R7 VanDerWaalsContact O-CB 3.24Å; D3-R7 WeakPolarHBondContact O-CB 3.45Å; D3-R7 PolarHBondContact O-N 3.48Å
4D87.1Confident88.1Confident68 Ų6899.1 Ų99.136%0.36447%0.473SS..Hα-helixtrans-66.7-44.6172.2-58.4-62000111.9M1 E2 R7 L8M1-D4 WeakPolarHBondContact CA-OD2 3.27Å; M1-D4 PolarHBondContact N-OD2 3.13Å; M1-D4 WeakPolarHBondContact O-CB 3.18Å; M1-D4 PolarHBondContact O-N 3.24Å; E2-D4 PolarHBondContact O-N 3.19Å; D4-R7 PolarHBondContact O-N 2.93Å; D4-R7 IonicContact OD1-CZ 3.48Å; D4-R7 IonicContact OD1-NH2 3.17Å; D4-R7 PolarHBondContact OD1-NH2 3.12Å; D4-L8 WeakPolarHBondContact O-CB 3.39Å; D4-L8 WeakPolarHBondContact O-CG 3.47Å; D4-L8 PolarHBondContact O-N 3.39Å
5I88.2Confident88.4Confident100 Ų10098.9 Ų98.951%0.51348%0.476SS..Hα-helixtrans-61.1-46.9177.3-69.6164.2000110.2M1 E2 R7 L8 A9M1-I5 HydrophobicContact CG-CD1 4.02Å; M1-I5 VanDerWaalsContact O-CG1 3.27Å; M1-I5 WeakPolarHBondContact O-CG1 3.44Å; M1-I5 PolarHBondContact O-N 2.61Å; E2-I5 PolarHBondContact O-N 2.82Å; E2-I5 VanDerWaalsContact O-N 3.09Å; I5-R7 VanDerWaalsContact C-N 3.35Å; I5-R7 PolarHBondContact O-N 3.09Å; I5-L8 PolarHBondContact O-N 3.21Å; I5-A9 VanDerWaalsContact O-CB 3.25Å; I5-A9 WeakPolarHBondContact O-CB 3.22Å; I5-A9 PolarHBondContact O-N 3.24Å
6L88.4Confident88.7Confident21 Ų2197.3 Ų97.311%0.1148%0.478CS..Hα-helixtrans-64.4-39.7178.7-70.9172.4000111.7E2 A9 R10 V18 C21 Q22E2-L6 HydrophobicContact CG-CD1 4.4Å; E2-L6 WeakPolarHBondContact O-CG 3.36Å; E2-L6 PolarHBondContact O-N 3.01Å; L6-A9 PolarHBondContact O-N 2.95Å; L6-R10 PolarHBondContact O-N 3Å; L6-V18 HydrophobicContact CB-CG1 4.13Å; L6-V18 HydrophobicContact CD2-CG1 4.38Å; L6-V18 WeakPolarHBondContact O-CG1 3.32Å; L6-C21 HydrophobicContact CD2-CB 3.85Å; L6-Q22 HydrophobicContact CD1-CB 3.89Å; L6-Q22 HydrophobicContact CD1-CG 3.89Å
7R91.1Very high89Confident163 Ų16397.2 Ų97.262%0.61548%0.476SS*.Hα-helixtrans-61.2-45.4173.2178.8178.361.1162.6-6.7111.7D3 D4 I5 R10D3-R7 VanDerWaalsContact O-CB 3.24Å; D3-R7 WeakPolarHBondContact O-CB 3.45Å; D3-R7 PolarHBondContact O-N 3.48Å; D4-R7 PolarHBondContact O-N 2.93Å; D4-R7 IonicContact OD1-CZ 3.48Å; D4-R7 IonicContact OD1-NH2 3.17Å; D4-R7 PolarHBondContact OD1-NH2 3.12Å; I5-R7 VanDerWaalsContact C-N 3.35Å; I5-R7 PolarHBondContact O-N 3.09Å; R7-R10 VanDerWaalsContact O-CB 3.25Å; R7-R10 WeakPolarHBondContact O-CB 3.39Å; R7-R10 PolarHBondContact O-N 2.94Å
8L92.9Very high89.2Confident98 Ų9892 Ų9251%0.51345%0.451SS..Hα-helixtrans-71.7-33.3179.6-69.2171.4000112.5D4 I5 R10 K11D4-L8 WeakPolarHBondContact O-CB 3.39Å; D4-L8 WeakPolarHBondContact O-CG 3.47Å; D4-L8 PolarHBondContact O-N 3.39Å; I5-L8 PolarHBondContact O-N 3.21Å; L8-R10 PolarHBondContact O-N 3.4Å; L8-K11 WeakPolarHBondContact O-CG 3.47Å
9A91.7Very high89.3Confident26 Ų2693.8 Ų93.822%0.21546%0.456CS..Hα-helixtrans-65.2-25.9177.700000112.6I5 L6 K11 Y12 I13 V18I5-A9 VanDerWaalsContact O-CB 3.25Å; I5-A9 WeakPolarHBondContact O-CB 3.22Å; I5-A9 PolarHBondContact O-N 3.24Å; L6-A9 PolarHBondContact O-N 2.95Å; A9-K11 PolarHBondContact O-N 3.36Å; A9-K11 VanDerWaalsContact O-N 3.15Å; A9-Y12 PolarHBondContact O-N 3.04Å; A9-I13 HydrophobicContact CB-CD1 4.43Å; A9-I13 PolarHBondContact O-N 3.27Å; A9-I13 VanDerWaalsContact O-N 3.09Å; A9-V18 HydrophobicContact CB-CG2 4.19Å
10R94.4Very high89.3Confident129 Ų12997 Ų9749%0.48746%0.463SS..Hα-helixtrans-52.8-36.9-179.8-169.1179.8-74.6-131.77.7113.3L6 R7 L8 Y12 G14 D15 V18L6-R10 PolarHBondContact O-N 3Å; R7-R10 VanDerWaalsContact O-CB 3.25Å; R7-R10 WeakPolarHBondContact O-CB 3.39Å; R7-R10 PolarHBondContact O-N 2.94Å; L8-R10 PolarHBondContact O-N 3.4Å; R10-Y12 PolarHBondContact O-N 3.11Å; R10-G14 WeakPolarHBondContact O-CA 3.46Å; R10-G14 PolarHBondContact O-N 2.87Å; R10-D15 WeakPolarHBondContact CD-OD1 3.42Å; R10-D15 WeakPolarHBondContact CG-OD1 3.45Å; R10-D15 IonicContact CZ-OD1 3.28Å; R10-D15 IonicContact NE-OD1 3.49Å; R10-D15 PolarHBondContact NE-OD1 3.36Å; R10-D15 IonicContact NH1-OD1 3.76Å; R10-D15 PolarHBondContact NH1-OD1 3.41Å; R10-V18 HydrophobicContact CB-CG2 4.05Å
11K94.8Very high89.3Confident145 Ų14595.1 Ų95.163%0.6346%0.459SS*.Hα-helixtrans-69.1-16.417880.1-167.4179.3170.30114L8 A9L8-K11 WeakPolarHBondContact O-CG 3.47Å; A9-K11 PolarHBondContact O-N 3.36Å; A9-K11 VanDerWaalsContact O-N 3.15Å
12Y95.3Very high90.5Very high174 Ų17490.1 Ų90.168%0.68243%0.434SS*.Hα-helixtrans-104.8-40.3-176.5-63-71.8000113.3A9 R10A9-Y12 PolarHBondContact O-N 3.04Å; R10-Y12 PolarHBondContact O-N 3.11Å
13I94.3Very high91.1Very high75 Ų7592 Ų9239%0.38544%0.443SS..Hα-helixtrans-115.6-2-173.567.4178.4000113.4A9 H17 V18A9-I13 HydrophobicContact CB-CD1 4.43Å; A9-I13 PolarHBondContact O-N 3.27Å; A9-I13 VanDerWaalsContact O-N 3.09Å; I13-H17 HydrophobicContact CB-CB 3.99Å; I13-H17 HydrophobicContact CD1-CB 3.92Å; I13-H17 HydrophobicContact CG1-CB 3.89Å; I13-H17 WeakPolarHBondContact O-CB 3.48Å; I13-H17 PolarHBondContact O-CD2 2.72Å; I13-V18 HydrophobicContact CD1-CG2 3.86Å; I13-V18 HydrophobicContact CG1-CG2 3.68Å
14G93.6Very high91.3Very high32 Ų3296.3 Ų96.333%0.3345%0.451SS..Hα-helixtrans74.3168.9-178.900000114.5R10 S16 V18R10-G14 WeakPolarHBondContact O-CA 3.46Å; R10-G14 PolarHBondContact O-N 2.87Å; G14-S16 PolarHBondContact O-N 2.92Å; G14-V18 WeakPolarHBondContact O-CG2 3.34Å; G14-V18 PolarHBondContact O-N 3.48Å; G14-V18 VanDerWaalsContact O-N 3.17Å
15D93.5Very high91.2Very high96 Ų9694.4 Ų94.451%0.51344%0.442SS..Hα-helixtrans-63.9-41.9-171.8-71.8-40.1000113.8R10 H17 V18 K19R10-D15 WeakPolarHBondContact CD-OD1 3.42Å; R10-D15 WeakPolarHBondContact CG-OD1 3.45Å; R10-D15 IonicContact CZ-OD1 3.28Å; R10-D15 IonicContact NE-OD1 3.49Å; R10-D15 PolarHBondContact NE-OD1 3.36Å; R10-D15 IonicContact NH1-OD1 3.76Å; R10-D15 PolarHBondContact NH1-OD1 3.41Å; D15-H17 PolarHBondContact O-N 2.96Å; D15-V18 PolarHBondContact O-N 2.96Å; D15-K19 WeakPolarHBondContact O-CB 3.23Å; D15-K19 PolarHBondContact O-N 2.96Å
16S93.3Very high91Very high73 Ų7392.9 Ų92.951%0.5144%0.435SS..Hα-helixtrans-64.4-42-17660.20000112G14 R20G14-S16 PolarHBondContact O-N 2.92Å; S16-R20 WeakPolarHBondContact O-CG 3.38Å; S16-R20 PolarHBondContact O-N 3.45Å; S16-R20 VanDerWaalsContact O-N 3.16Å
17H93.4Very high90.8Very high97 Ų9799.8 Ų99.845%0.44946%0.464SS..Hα-helixtrans-72.4-41.7177.8-67.2-87.7000111.6I13 D15 K19 R20 C21I13-H17 HydrophobicContact CB-CB 3.99Å; I13-H17 HydrophobicContact CD1-CB 3.92Å; I13-H17 HydrophobicContact CG1-CB 3.89Å; I13-H17 WeakPolarHBondContact O-CB 3.48Å; I13-H17 PolarHBondContact O-CD2 2.72Å; D15-H17 PolarHBondContact O-N 2.96Å; H17-K19 VanDerWaalsContact C-N 3.31Å; H17-K19 PolarHBondContact O-N 3.07Å; H17-R20 PolarHBondContact O-N 3.4Å; H17-C21 PolarHBondContact O-N 3.22Å; H17-C21 PolarHBondContact O-SG 3.48Å
18V92.2Very high90.2Very high3 Ų397.6 Ų97.62%0.01846%0.459CS..Hα-helixtrans-58.8-43.5173.61700000111.3L6 A9 R10 I13 G14 D15 R20 C21 Q22L6-V18 HydrophobicContact CB-CG1 4.13Å; L6-V18 HydrophobicContact CD2-CG1 4.38Å; L6-V18 WeakPolarHBondContact O-CG1 3.32Å; A9-V18 HydrophobicContact CB-CG2 4.19Å; R10-V18 HydrophobicContact CB-CG2 4.05Å; I13-V18 HydrophobicContact CD1-CG2 3.86Å; I13-V18 HydrophobicContact CG1-CG2 3.68Å; G14-V18 WeakPolarHBondContact O-CG2 3.34Å; G14-V18 PolarHBondContact O-N 3.48Å; G14-V18 VanDerWaalsContact O-N 3.17Å; D15-V18 PolarHBondContact O-N 2.96Å; V18-R20 VanDerWaalsContact C-N 3.34Å; V18-R20 PolarHBondContact O-N 3.27Å; V18-C21 WeakPolarHBondContact O-CB 3.48Å; V18-C21 PolarHBondContact O-N 3.22Å; V18-Q22 WeakPolarHBondContact O-CB 3.34Å; V18-Q22 PolarHBondContact O-N 3.47Å
19K91.3Very high89.8Confident127 Ų12797.5 Ų97.555%0.55245%0.454SS*.Hα-helixtrans-59.8-44.3177.2-170.5-179.7177.7-177.30111.6D15 H17 C21 Q22 E23D15-K19 WeakPolarHBondContact O-CB 3.23Å; D15-K19 PolarHBondContact O-N 2.96Å; H17-K19 VanDerWaalsContact C-N 3.31Å; H17-K19 PolarHBondContact O-N 3.07Å; K19-C21 PolarHBondContact O-N 2.92Å; K19-Q22 PolarHBondContact O-N 3Å; K19-E23 WeakPolarHBondContact CE-OE1 3.29Å; K19-E23 WeakPolarHBondContact O-CB 3.35Å; K19-E23 VanDerWaalsContact O-CG 3.31Å; K19-E23 WeakPolarHBondContact O-CG 3.41Å; K19-E23 PolarHBondContact O-N 3.3Å
20R90.1Very high89.5Confident157 Ų157102.9 Ų102.959%0.59247%0.473SS*.Hα-helixtrans-61.6-41.4174.4-71.7175.6179.4-177.31.4112.4S16 H17 V18 R24S16-R20 WeakPolarHBondContact O-CG 3.38Å; S16-R20 PolarHBondContact O-N 3.45Å; S16-R20 VanDerWaalsContact O-N 3.16Å; H17-R20 PolarHBondContact O-N 3.4Å; V18-R20 VanDerWaalsContact C-N 3.34Å; V18-R20 PolarHBondContact O-N 3.27Å; R20-R24 WeakPolarHBondContact O-CG 3.3Å; R20-R24 PolarHBondContact O-N 3.37Å; R20-R24 VanDerWaalsContact O-N 3.09Å
21C89.2Confident89.1Confident57 Ų5799.2 Ų99.239%0.38546%0.461SS..Hα-helixtrans-61.6-45.7174.8-69.90000111.3L6 H17 V18 K19 R24 S25L6-C21 HydrophobicContact CD2-CB 3.85Å; H17-C21 PolarHBondContact O-N 3.22Å; H17-C21 PolarHBondContact O-SG 3.48Å; V18-C21 WeakPolarHBondContact O-CB 3.48Å; V18-C21 PolarHBondContact O-N 3.22Å; K19-C21 PolarHBondContact O-N 2.92Å; C21-R24 PolarHBondContact O-N 3.43Å; C21-S25 PolarHBondContact O-N 3.45Å
22Q89.3Confident88.6Confident75 Ų7593.9 Ų93.935%0.3544%0.438SS..Hα-helixtrans-62-47177.8-169.7177.59.600111.5L6 V18 K19 R24 S25 I26L6-Q22 HydrophobicContact CD1-CB 3.89Å; L6-Q22 HydrophobicContact CD1-CG 3.89Å; V18-Q22 WeakPolarHBondContact O-CB 3.34Å; V18-Q22 PolarHBondContact O-N 3.47Å; K19-Q22 PolarHBondContact O-N 3Å; Q22-R24 VanDerWaalsContact C-N 3.33Å; Q22-R24 PolarHBondContact O-N 2.91Å; Q22-S25 PolarHBondContact O-N 2.98Å; Q22-I26 HydrophobicContact CG-CD1 3.72Å; Q22-I26 HydrophobicContact CG-CG1 4.28Å; Q22-I26 WeakPolarHBondContact O-CB 3.43Å; Q22-I26 VanDerWaalsContact O-CG1 3.23Å; Q22-I26 WeakPolarHBondContact O-CG1 3.44Å; Q22-I26 PolarHBondContact O-N 3.43Å
23E88.3Confident88.3Confident104 Ų10488.1 Ų88.149%0.48643%0.427SS..Hα-helixtrans-57.3-44.4176.7-74.9168.8-175.900112K19 K27K19-E23 WeakPolarHBondContact CE-OE1 3.29Å; K19-E23 WeakPolarHBondContact O-CB 3.35Å; K19-E23 VanDerWaalsContact O-CG 3.31Å; K19-E23 WeakPolarHBondContact O-CG 3.41Å; K19-E23 PolarHBondContact O-N 3.3Å; E23-K27 PolarHBondContact O-N 3.26Å; E23-K27 VanDerWaalsContact O-N 3.08Å
24R85.1Confident88.1Confident203 Ų20387.7 Ų87.777%0.76643%0.428SS*.Hα-helixtrans-64.9-43.3176.6-76.2-171.6174.7-159.4-0.5112.5R20 C21 Q22 K27 K28R20-R24 WeakPolarHBondContact O-CG 3.3Å; R20-R24 PolarHBondContact O-N 3.37Å; R20-R24 VanDerWaalsContact O-N 3.09Å; C21-R24 PolarHBondContact O-N 3.43Å; Q22-R24 VanDerWaalsContact C-N 3.33Å; Q22-R24 PolarHBondContact O-N 2.91Å; R24-K27 PolarHBondContact O-N 3.05Å; R24-K28 PolarHBondContact O-N 3.33Å
25S84.2Confident88.1Confident27 Ų2786.3 Ų86.319%0.18941%0.413CS..Hα-helixtrans-67.1-44.6179-173.10000112.1E2 C21 Q22 K27 K28 K29E2-S25 WeakPolarHBondContact OE1-CB 3.21Å; E2-S25 PolarHBondContact OE1-OG 2.98Å; C21-S25 PolarHBondContact O-N 3.45Å; Q22-S25 PolarHBondContact O-N 2.98Å; S25-K27 PolarHBondContact O-N 3.2Å; S25-K28 PolarHBondContact O-N 3.14Å; S25-K28 VanDerWaalsContact O-N 3.13Å; S25-K29 PolarHBondContact O-N 3.43Å
26I85Confident88Confident68 Ų6885.6 Ų85.635%0.34941%0.409SS..Hα-helixtrans-56.1-41.9175.4-72.4171.2000110.4Q22 K28 K29 K30Q22-I26 HydrophobicContact CG-CD1 3.72Å; Q22-I26 HydrophobicContact CG-CG1 4.28Å; Q22-I26 WeakPolarHBondContact O-CB 3.43Å; Q22-I26 VanDerWaalsContact O-CG1 3.23Å; Q22-I26 WeakPolarHBondContact O-CG1 3.44Å; Q22-I26 PolarHBondContact O-N 3.43Å; I26-K28 PolarHBondContact O-N 3.08Å; I26-K29 PolarHBondContact O-N 3.01Å; I26-K30 HydrophobicContact CG2-CD 3.78Å; I26-K30 VanDerWaalsContact CG2-CE 3.45Å; I26-K30 HydrophobicContact CG2-CG 4.06Å; I26-K30 VanDerWaalsContact O-CB 3.3Å; I26-K30 WeakPolarHBondContact O-CB 3.31Å; I26-K30 VanDerWaalsContact O-CG 3.24Å; I26-K30 WeakPolarHBondContact O-CG 3.47Å; I26-K30 PolarHBondContact O-N 3.44Å
27K83.4Confident87.9Confident166 Ų16688.8 Ų88.872%0.72242%0.42SS*.Hα-helixtrans-59.7-46.1178.2-171.7178.3179.2-179.40112.2E23 R24 S25 K31E23-K27 PolarHBondContact O-N 3.26Å; E23-K27 VanDerWaalsContact O-N 3.08Å; R24-K27 PolarHBondContact O-N 3.05Å; S25-K27 PolarHBondContact O-N 3.2Å; K27-K31 PolarHBondContact O-N 3.35Å
28K79.3Confident87.9Confident118 Ų11889.2 Ų89.251%0.51342%0.422SS..Hα-helixtrans-63.3-47.9176.9-70.5-174173.6-171.10111.7R24 S25 I26 K30 K31 L32R24-K28 PolarHBondContact O-N 3.33Å; S25-K28 PolarHBondContact O-N 3.14Å; S25-K28 VanDerWaalsContact O-N 3.13Å; I26-K28 PolarHBondContact O-N 3.08Å; K28-K30 PolarHBondContact O-N 3.37Å; K28-K31 WeakPolarHBondContact O-CB 3.36Å; K28-K31 PolarHBondContact O-N 3.25Å; K28-L32 PolarHBondContact O-N 2.89Å
29K83.7Confident87.9Confident95 Ų9589.5 Ų89.541%0.41343%0.426SS..Hα-helixtrans-61.3-41.2178.3-73.3-179.9176.5175.20112.8E2 S25 I26 K31 L32 A33E2-K29 IonicContact OE1-NZ 3.64Å; E2-K29 PolarHBondContact OE1-NZ 2.74Å; E2-K29 VanDerWaalsContact OE1-NZ 3.09Å; E2-K29 WeakPolarHBondContact OE2-CE 3.12Å; E2-K29 IonicContact OE2-NZ 3.86Å; E2-K29 PolarHBondContact OE2-NZ 3.48Å; S25-K29 PolarHBondContact O-N 3.43Å; I26-K29 PolarHBondContact O-N 3.01Å; K29-K31 VanDerWaalsContact C-N 3.29Å; K29-K31 PolarHBondContact O-N 3.13Å; K29-L32 PolarHBondContact O-N 2.99Å; K29-A33 WeakPolarHBondContact O-CB 3.34Å; K29-A33 PolarHBondContact O-N 3.16Å
30K86.3Confident88.2Confident139 Ų13987.4 Ų87.460%0.60442%0.418SS*.Hα-helixtrans-58.2-43.2177.1-81.7179.6174.9-175.90111.2I26 K28 A33 V34I26-K30 HydrophobicContact CG2-CD 3.78Å; I26-K30 VanDerWaalsContact CG2-CE 3.45Å; I26-K30 HydrophobicContact CG2-CG 4.06Å; I26-K30 VanDerWaalsContact O-CB 3.3Å; I26-K30 WeakPolarHBondContact O-CB 3.31Å; I26-K30 VanDerWaalsContact O-CG 3.24Å; I26-K30 WeakPolarHBondContact O-CG 3.47Å; I26-K30 PolarHBondContact O-N 3.44Å; K28-K30 PolarHBondContact O-N 3.37Å; K30-A33 PolarHBondContact O-N 3.35Å; K30-V34 WeakPolarHBondContact O-CB 3.3Å; K30-V34 WeakPolarHBondContact O-CG2 3.42Å; K30-V34 PolarHBondContact O-N 3.37Å
31K85.5Confident88.5Confident53 Ų5380.2 Ų80.223%0.2339%0.392CS..Hα-helixtrans-62.2-46.6179.2-160.8-176.3-179.7175.80111.9K27 K28 K29 V35 V44 G45 F46 E50K27-K31 PolarHBondContact O-N 3.35Å; K28-K31 WeakPolarHBondContact O-CB 3.36Å; K28-K31 PolarHBondContact O-N 3.25Å; K29-K31 VanDerWaalsContact C-N 3.29Å; K29-K31 PolarHBondContact O-N 3.13Å; K31-V35 WeakPolarHBondContact O-CG2 3.34Å; K31-V35 PolarHBondContact O-N 3.5Å; K31-V44 WeakPolarHBondContact CE-O 3.5Å; K31-V44 PolarHBondContact NZ-O 3.27Å; K31-G45 VanDerWaalsContact NZ-C 3.28Å; K31-G45 PolarHBondContact NZ-O 3.41Å; K31-F46 HydrophobicContact CB-CE1 4.31Å; K31-F46 HydrophobicContact CB-CZ 4Å; K31-F46 HydrophobicContact CD-CD1 4.13Å; K31-F46 HydrophobicContact CD-CD2 4Å; K31-F46 HydrophobicContact CD-CE1 3.88Å; K31-F46 HydrophobicContact CD-CE2 3.73Å; K31-F46 HydrophobicContact CD-CG 4.19Å; K31-F46 HydrophobicContact CD-CZ 3.68Å; K31-F46 VanDerWaalsContact CE-CD2 3.43Å; K31-F46 HydrophobicContact CG-CD2 4.46Å; K31-F46 HydrophobicContact CG-CE1 4.07Å; K31-F46 HydrophobicContact CG-CE2 3.7Å; K31-F46 HydrophobicContact CG-CZ 3.48Å; K31-F46 VanDerWaalsContact CG-CZ 3.48Å; K31-F46 VanDerWaalsContact NZ-CA 3.32Å; K31-E50 IonicContact NZ-OE2 3.09Å; K31-E50 PolarHBondContact NZ-OE2 3.45Å
32L85.3Confident88.8Confident32 Ų3278.1 Ų78.117%0.16838%0.377CS..Hα-helixtrans-66.5-42176178.363.2000112.4K28 K29 V34 V35 L36 L54K28-L32 PolarHBondContact O-N 2.89Å; K29-L32 PolarHBondContact O-N 2.99Å; L32-V34 VanDerWaalsContact C-N 3.29Å; L32-V34 PolarHBondContact O-N 2.87Å; L32-V35 PolarHBondContact O-N 3.24Å; L32-V35 VanDerWaalsContact O-N 3.16Å; L32-L36 HydrophobicContact CD1-CD1 4.21Å; L32-L36 HydrophobicContact CD1-CG 4.22Å; L32-L36 HydrophobicContact CD2-CD1 4.42Å; L32-L36 HydrophobicContact CG-CD1 3.9Å; L32-L36 HydrophobicContact CG-CG 4.35Å; L32-L36 WeakPolarHBondContact O-CG 3.47Å; L32-L36 PolarHBondContact O-N 3.07Å; L32-L54 HydrophobicContact CD1-CD1 3.6Å; L32-L54 HydrophobicContact CD1-CD2 3.89Å; L32-L54 HydrophobicContact CD1-CG 4.41Å; L32-L54 HydrophobicContact CD2-CD1 3.46Å; L32-L54 VanDerWaalsContact CD2-CD1 3.46Å; L32-L54 HydrophobicContact CG-CD1 4.17Å
33A88.8Confident89Confident53 Ų5380.2 Ų80.244%0.43839%0.391SS..Hα-helixtrans-60.1-41.5178.500000111.1K29 K30 L36 D37K29-A33 WeakPolarHBondContact O-CB 3.34Å; K29-A33 PolarHBondContact O-N 3.16Å; K30-A33 PolarHBondContact O-N 3.35Å; A33-L36 PolarHBondContact O-N 3.17Å; A33-D37 WeakPolarHBondContact O-CB 3.38Å; A33-D37 PolarHBondContact O-N 2.89Å
34V90.1Very high89.3Confident67 Ų6779.7 Ų79.741%0.40640%0.395SS..Hα-helixtrans-60.8-45.2174.2169.30000111.2K30 L32 L36 D37 Q38K30-V34 WeakPolarHBondContact O-CB 3.3Å; K30-V34 WeakPolarHBondContact O-CG2 3.42Å; K30-V34 PolarHBondContact O-N 3.37Å; L32-V34 VanDerWaalsContact C-N 3.29Å; L32-V34 PolarHBondContact O-N 2.87Å; V34-L36 PolarHBondContact O-N 3.35Å; V34-D37 PolarHBondContact O-N 3.23Å; V34-Q38 HydrophobicContact CG1-CG 4.39Å; V34-Q38 VanDerWaalsContact O-CB 3.31Å; V34-Q38 WeakPolarHBondContact O-CB 3.36Å; V34-Q38 WeakPolarHBondContact O-CG 3.23Å; V34-Q38 PolarHBondContact O-N 3.21Å
35V92.5Very high89.7Confident2 Ų270.9 Ų70.91%0.01237%0.367CS..Hα-helixtrans-62.6-42.5177.3171.70000111.7K31 L32 G39 P42 F46 L117 L121 L369K31-V35 WeakPolarHBondContact O-CG2 3.34Å; K31-V35 PolarHBondContact O-N 3.5Å; L32-V35 PolarHBondContact O-N 3.24Å; L32-V35 VanDerWaalsContact O-N 3.16Å; V35-G39 VanDerWaalsContact O-CA 3.32Å; V35-G39 WeakPolarHBondContact O-CA 3.32Å; V35-G39 PolarHBondContact O-N 3.46Å; V35-P42 HydrophobicContact CG2-CB 4.16Å; V35-P42 HydrophobicContact CG2-CG 4.47Å; V35-F46 HydrophobicContact CG2-CE2 3.91Å; V35-F46 HydrophobicContact CG2-CZ 4.07Å; V35-L117 HydrophobicContact CG1-CD1 4.22Å; V35-L117 HydrophobicContact CG1-CD2 4.18Å; V35-L121 HydrophobicContact CG1-CD2 4.15Å; V35-L369 HydrophobicContact CG1-CD2 4.15Å; V35-L369 HydrophobicContact CG2-CD2 4.48Å
36L90.9Very high90.3Very high82 Ų8270.2 Ų70.243%0.42936%0.36SS..Hα-helixtrans-68.9-38.4179-73.2170.5000112.8L32 A33 V34 L113 L117L32-L36 HydrophobicContact CD1-CD1 4.21Å; L32-L36 HydrophobicContact CD1-CG 4.22Å; L32-L36 HydrophobicContact CD2-CD1 4.42Å; L32-L36 HydrophobicContact CG-CD1 3.9Å; L32-L36 HydrophobicContact CG-CG 4.35Å; L32-L36 WeakPolarHBondContact O-CG 3.47Å; L32-L36 PolarHBondContact O-N 3.07Å; A33-L36 PolarHBondContact O-N 3.17Å; V34-L36 PolarHBondContact O-N 3.35Å; L36-L113 HydrophobicContact CD2-CD1 4.26Å; L36-L117 HydrophobicContact CD2-CD2 3.85Å
37D92.2Very high90.7Very high140 Ų14069.7 Ų69.775%0.74936%0.363SS*.Hα-helixtrans-72.2-45.6-179.5-17658000111.5A33 V34A33-D37 WeakPolarHBondContact O-CB 3.38Å; A33-D37 PolarHBondContact O-N 2.89Å; V34-D37 PolarHBondContact O-N 3.23Å
38Q93Very high91.3Very high105 Ų10568.1 Ų68.149%0.49136%0.358SS..Hα-helixtrans-89-26.4-174.3-61.7179.9-8.100113.3V34 Q40V34-Q38 HydrophobicContact CG1-CG 4.39Å; V34-Q38 VanDerWaalsContact O-CB 3.31Å; V34-Q38 WeakPolarHBondContact O-CB 3.36Å; V34-Q38 WeakPolarHBondContact O-CG 3.23Å; V34-Q38 PolarHBondContact O-N 3.21Å; Q38-Q40 HydrophobicContact CB-CB 4.19Å; Q38-Q40 HydrophobicContact CB-CG 4.19Å; Q38-Q40 PolarHBondContact O-N 2.81Å
39G93.3Very high92Very high10 Ų1065.4 Ų65.410%0.10336%0.358CS..  trans6524-171.400000113.5V35 Q120V35-G39 VanDerWaalsContact O-CA 3.32Å; V35-G39 WeakPolarHBondContact O-CA 3.32Å; V35-G39 PolarHBondContact O-N 3.46Å; G39-Q120 CarbonylContact O-C 3.45Å
40Q96Very high92.5Very high82 Ų8262.8 Ų62.838%0.38335%0.347SS..SBendtrans-115.5158.9-174.7-67.2-177.210.900112.2Q38 L121 D124Q38-Q40 HydrophobicContact CB-CB 4.19Å; Q38-Q40 HydrophobicContact CB-CG 4.19Å; Q38-Q40 PolarHBondContact O-N 2.81Å; Q40-L121 WeakPolarHBondContact O-CD2 3.4Å; Q40-D124 HydrophobicContact CB-CB 4.45Å; Q40-D124 HydrophobicContact CG-CB 4.33Å
41L96.4Very high92.9Very high7 Ų756.8 Ų56.84%0.03732%0.321CS..  trans-58.2136.3171.6-65178.4000110.1L121 D124 W125 L368L41-L121 HydrophobicContact CD2-CB 4.12Å; L41-L121 HydrophobicContact CD2-CD2 4.35Å; L41-D124 WeakPolarHBondContact CB-OD2 3.33Å; L41-D124 PolarHBondContact N-OD2 3.06Å; L41-W125 HydrophobicContact CD1-CB 3.99Å; L41-L368 HydrophobicContact CD2-CB 3.8Å; L41-L368 HydrophobicContact CD2-CD2 4.03Å; L41-L368 HydrophobicContact CD2-CG 4.36Å
42P95.6Very high93.4Very high12 Ų1258.8 Ų58.88%0.07833%0.331CS..  trans-63.3144.1171.330.1-36000109.8V35 V44 F46 G372 N373V35-P42 HydrophobicContact CG2-CB 4.16Å; V35-P42 HydrophobicContact CG2-CG 4.47Å; P42-V44 VanDerWaalsContact C-N 3.28Å; P42-V44 PolarHBondContact O-N 2.89Å; P42-F46 HydrophobicContact CB-CD2 4.27Å; P42-F46 HydrophobicContact CB-CE2 3.85Å; P42-F46 HydrophobicContact CG-CD2 3.85Å; P42-F46 HydrophobicContact CG-CE2 3.77Å; P42-G372 CarbonylContact O-C 3.52Å; P42-G372 WeakPolarHBondContact O-CA 3.32Å; P42-N373 PolarHBondContact O-N 3.24Å
43D93.7Very high93.8Very high120 Ų12059.9 Ų59.964%0.64235%0.345SS*.SBendtrans-58-44.8177.6-71.4-33.7000111.8K374D43-K374 VanDerWaalsContact O-CB 3.24Å; D43-K374 WeakPolarHBondContact O-CB 3.37Å; D43-K374 PolarHBondContact O-N 2.85Å
44V94.1Very high94.1Very high93 Ų9357.8 Ų57.856%0.56433%0.327SS*.SBendtrans-116.8125.8174.1-178.70000108.8K31 P42K31-V44 WeakPolarHBondContact CE-O 3.5Å; K31-V44 PolarHBondContact NZ-O 3.27Å; P42-V44 VanDerWaalsContact C-N 3.28Å; P42-V44 PolarHBondContact O-N 2.89Å
45G94.9Very high94.4Very high18 Ų1854.9 Ų54.919%0.18631%0.308CS..PPolyproline II helixtrans-60.3159.4-176.300000115.2K31 L369 Y370K31-G45 VanDerWaalsContact NZ-C 3.28Å; K31-G45 PolarHBondContact NZ-O 3.41Å; G45-L369 CarbonylContact C-O 3.55Å; G45-L369 WeakPolarHBondContact CA-O 3.38Å; G45-Y370 WeakPolarHBondContact CA-O 3.31Å
46F95.4Very high94.5Very high12 Ų1259.7 Ų59.75%0.05333%0.333CS..PPolyproline II helixtrans-75.2147.7177.5-73.9-118.9000110.5K31 V35 P42 E50 I51 L369 Y370K31-F46 HydrophobicContact CB-CE1 4.31Å; K31-F46 HydrophobicContact CB-CZ 4Å; K31-F46 HydrophobicContact CD-CD1 4.13Å; K31-F46 HydrophobicContact CD-CD2 4Å; K31-F46 HydrophobicContact CD-CE1 3.88Å; K31-F46 HydrophobicContact CD-CE2 3.73Å; K31-F46 HydrophobicContact CD-CG 4.19Å; K31-F46 HydrophobicContact CD-CZ 3.68Å; K31-F46 VanDerWaalsContact CE-CD2 3.43Å; K31-F46 HydrophobicContact CG-CD2 4.46Å; K31-F46 HydrophobicContact CG-CE1 4.07Å; K31-F46 HydrophobicContact CG-CE2 3.7Å; K31-F46 HydrophobicContact CG-CZ 3.48Å; K31-F46 VanDerWaalsContact CG-CZ 3.48Å; K31-F46 VanDerWaalsContact NZ-CA 3.32Å; V35-F46 HydrophobicContact CG2-CE2 3.91Å; V35-F46 HydrophobicContact CG2-CZ 4.07Å; P42-F46 HydrophobicContact CB-CD2 4.27Å; P42-F46 HydrophobicContact CB-CE2 3.85Å; P42-F46 HydrophobicContact CG-CD2 3.85Å; P42-F46 HydrophobicContact CG-CE2 3.77Å; F46-E50 WeakPolarHBondContact CA-OE2 3.34Å; F46-E50 HydrophobicContact CB-CB 4.21Å; F46-E50 HydrophobicContact CD1-CB 3.85Å; F46-I51 HydrophobicContact CB-CD1 4.09Å; F46-I51 HydrophobicContact CB-CG1 3.71Å; F46-L369 HydrophobicContact CB-CB 4.42Å; F46-L369 HydrophobicContact CD2-CB 4.19Å; F46-L369 HydrophobicContact CD2-CD2 4.22Å; F46-L369 HydrophobicContact CE2-CD2 4.09Å; F46-L369 HydrophobicContact CG-CB 4.43Å; F46-L369 PolarHBondContact N-O 2.93Å; F46-Y370 WeakPolarHBondContact O-CD2 3.27Å
47S94.8Very high94.6Very high57 Ų5761 Ų6140%0.39934%0.338SS..PPolyproline II helixtrans-73.3158.2167.771.70000110.4A49 E50 I51S47-A49 VanDerWaalsContact C-N 3.28Å; S47-A49 PolarHBondContact O-N 2.8Å; S47-E50 PolarHBondContact N-OE2 3.34Å; S47-E50 WeakPolarHBondContact O-CB 3.3Å; S47-E50 PolarHBondContact O-N 3.47Å; S47-E50 WeakPolarHBondContact OG-CG 3.31Å; S47-E50 PolarHBondContact OG-N 3.47Å; S47-I51 PolarHBondContact O-N 3.47Å; S47-I51 VanDerWaalsContact O-N 3.08Å
48E96.2Very high94.8Very high133 Ų13354.8 Ų54.862%0.62130%0.304SS*.Hα-helixtrans-54.2-46178.2-64.3176.8169.100111.5E50 I51 E52 Y370E48-E50 VanDerWaalsContact C-N 3.26Å; E48-E50 PolarHBondContact O-N 3.22Å; E48-I51 WeakPolarHBondContact O-CB 3.11Å; E48-I51 PolarHBondContact O-N 3.15Å; E48-E52 WeakPolarHBondContact O-CG 3.42Å; E48-E52 PolarHBondContact O-N 3.08Å; E48-Y370 HydrophobicContact CG-CD2 4.35Å; E48-Y370 HydrophobicContact CG-CE2 4.19Å
49A94Very high95Very high61 Ų6150.3 Ų50.350%0.50428%0.284SS..Hα-helixtrans-61.4-30176.700000113.9S47 A53S47-A49 VanDerWaalsContact C-N 3.28Å; S47-A49 PolarHBondContact O-N 2.8Å; A49-A53 WeakPolarHBondContact O-CB 3.34Å; A49-A53 PolarHBondContact O-N 3.01Å
50E93.3Very high95.1Very high41 Ų4152.7 Ų52.719%0.19230%0.3CS..Hα-helixtrans-72.3-38.5173.3-67.2174.6147.800111.3K31 F46 S47 E48 L54K31-E50 IonicContact NZ-OE2 3.09Å; K31-E50 PolarHBondContact NZ-OE2 3.45Å; F46-E50 WeakPolarHBondContact CA-OE2 3.34Å; F46-E50 HydrophobicContact CB-CB 4.21Å; F46-E50 HydrophobicContact CD1-CB 3.85Å; S47-E50 PolarHBondContact N-OE2 3.34Å; S47-E50 WeakPolarHBondContact O-CB 3.3Å; S47-E50 PolarHBondContact O-N 3.47Å; S47-E50 WeakPolarHBondContact OG-CG 3.31Å; S47-E50 PolarHBondContact OG-N 3.47Å; E48-E50 VanDerWaalsContact C-N 3.26Å; E48-E50 PolarHBondContact O-N 3.22Å; E50-L54 WeakPolarHBondContact O-CB 3.26Å; E50-L54 PolarHBondContact O-N 3.47Å
51I95.8Very high95.1Very high12 Ų1252.9 Ų52.96%0.06230%0.299CS..Hα-helixtrans-68.7-45.3178.2-63.8166.7000110.7F46 S47 E48 A53 L54 F55 A366 L369 Y370F46-I51 HydrophobicContact CB-CD1 4.09Å; F46-I51 HydrophobicContact CB-CG1 3.71Å; S47-I51 PolarHBondContact O-N 3.47Å; S47-I51 VanDerWaalsContact O-N 3.08Å; E48-I51 WeakPolarHBondContact O-CB 3.11Å; E48-I51 PolarHBondContact O-N 3.15Å; I51-A53 PolarHBondContact O-N 2.77Å; I51-L54 WeakPolarHBondContact O-CB 3.39Å; I51-L54 PolarHBondContact O-N 3.19Å; I51-F55 HydrophobicContact CG2-CD1 4.3Å; I51-F55 HydrophobicContact CG2-CD2 4.34Å; I51-F55 HydrophobicContact CG2-CE1 3.82Å; I51-F55 HydrophobicContact CG2-CE2 3.92Å; I51-F55 HydrophobicContact CG2-CZ 3.67Å; I51-F55 WeakPolarHBondContact O-CD1 3.38Å; I51-F55 WeakPolarHBondContact O-CG 3.44Å; I51-F55 PolarHBondContact O-N 2.87Å; I51-A366 HydrophobicContact CG2-CB 4.02Å; I51-L369 HydrophobicContact CD1-CB 4.22Å; I51-L369 HydrophobicContact CG1-CB 4.23Å; I51-Y370 HydrophobicContact CD1-CD2 4.44Å
52E96.1Very high95.2Very high95 Ų9552.5 Ų52.544%0.44430%0.297SS..Hα-helixtrans-60.6-46.3177.1-69.4-170.4151.600111.8E48 L54 F55 L56 Y89E48-E52 WeakPolarHBondContact O-CG 3.42Å; E48-E52 PolarHBondContact O-N 3.08Å; E52-L54 VanDerWaalsContact C-N 3.28Å; E52-L54 PolarHBondContact O-N 3.5Å; E52-F55 PolarHBondContact O-N 3.35Å; E52-L56 WeakPolarHBondContact O-CG 3.31Å; E52-L56 PolarHBondContact O-N 2.95Å; E52-Y89 HydrophobicContact CB-CE1 4.23Å; E52-Y89 HydrophobicContact CG-CE1 4.1Å
53A93.1Very high95.2Very high55 Ų5552.9 Ų52.946%0.45530%0.3SS..Hα-helixtrans-60.4-40176.700000111.6A49 I51 Q57A49-A53 WeakPolarHBondContact O-CB 3.34Å; A49-A53 PolarHBondContact O-N 3.01Å; I51-A53 PolarHBondContact O-N 2.77Å; A53-Q57 WeakPolarHBondContact O-CB 3.48Å; A53-Q57 PolarHBondContact O-N 3.18Å
54L93.8Very high95.3Very high10 Ų1047.9 Ų47.95%0.05227%0.274CS..Hα-helixtrans-62.9-44.5175.2-179.863.5000111.7L32 E50 I51 E52 Q57 I58 F365 L369L32-L54 HydrophobicContact CD1-CD1 3.6Å; L32-L54 HydrophobicContact CD1-CD2 3.89Å; L32-L54 HydrophobicContact CD1-CG 4.41Å; L32-L54 HydrophobicContact CD2-CD1 3.46Å; L32-L54 VanDerWaalsContact CD2-CD1 3.46Å; L32-L54 HydrophobicContact CG-CD1 4.17Å; E50-L54 WeakPolarHBondContact O-CB 3.26Å; E50-L54 PolarHBondContact O-N 3.47Å; I51-L54 WeakPolarHBondContact O-CB 3.39Å; I51-L54 PolarHBondContact O-N 3.19Å; E52-L54 VanDerWaalsContact C-N 3.28Å; E52-L54 PolarHBondContact O-N 3.5Å; L54-Q57 PolarHBondContact O-N 3.5Å; L54-I58 HydrophobicContact CD1-CD1 3.61Å; L54-I58 HydrophobicContact CD1-CG1 3.98Å; L54-I58 HydrophobicContact CD2-CD1 4.39Å; L54-I58 HydrophobicContact CG-CD1 3.75Å; L54-I58 HydrophobicContact CG-CG1 4.38Å; L54-I58 WeakPolarHBondContact O-CG1 3.31Å; L54-I58 PolarHBondContact O-N 3.47Å; L54-F365 HydrophobicContact CD2-CE1 4.01Å; L54-F365 HydrophobicContact CD2-CZ 4.1Å; L54-L369 HydrophobicContact CD2-CD1 3.66Å
55F96.6Very high95.4Very high5 Ų545.1 Ų45.12%0.02226%0.255CS..Hα-helixtrans-63.5-46.3179.7-74.63.5000111.6I51 E52 Q57 I58 S59 Y89 F91 L362 F365 A366I51-F55 HydrophobicContact CG2-CD1 4.3Å; I51-F55 HydrophobicContact CG2-CD2 4.34Å; I51-F55 HydrophobicContact CG2-CE1 3.82Å; I51-F55 HydrophobicContact CG2-CE2 3.92Å; I51-F55 HydrophobicContact CG2-CZ 3.67Å; I51-F55 WeakPolarHBondContact O-CD1 3.38Å; I51-F55 WeakPolarHBondContact O-CG 3.44Å; I51-F55 PolarHBondContact O-N 2.87Å; E52-F55 PolarHBondContact O-N 3.35Å; F55-Q57 VanDerWaalsContact C-N 3.32Å; F55-Q57 PolarHBondContact O-N 3.33Å; F55-I58 PolarHBondContact O-N 3Å; F55-S59 WeakPolarHBondContact O-CB 3.46Å; F55-S59 PolarHBondContact O-N 2.9Å; F55-S59 PolarHBondContact O-OG 3.44Å; F55-Y89 HydrophobicContact CB-CD1 3.58Å; F55-Y89 HydrophobicContact CB-CE1 4.17Å; F55-Y89 HydrophobicContact CB-CG 3.79Å; F55-Y89 HydrophobicContact CD2-CD1 4.07Å; F55-Y89 AromaticContact CD2-CD2 3.77Å; F55-Y89 HydrophobicContact CD2-CD2 3.77Å; F55-Y89 HydrophobicContact CD2-CE1 4.14Å; F55-Y89 AromaticContact CD2-CE2 3.85Å; F55-Y89 HydrophobicContact CD2-CE2 3.85Å; F55-Y89 AromaticContact CD2-CG 3.88Å; F55-Y89 HydrophobicContact CD2-CG 3.88Å; F55-Y89 HydrophobicContact CE2-CE2 4.44Å; F55-Y89 HydrophobicContact CG-CD1 4.36Å; F55-Y89 HydrophobicContact CG-CG 4.33Å; F55-F91 HydrophobicContact CB-CE2 4.23Å; F55-F91 HydrophobicContact CG-CE2 4.5Å; F55-F91 WeakPolarHBondContact O-CZ 3.43Å; F55-L362 HydrophobicContact CD1-CD1 4.18Å; F55-L362 HydrophobicContact CD2-CD1 3.66Å; F55-L362 HydrophobicContact CD2-CG 4.24Å; F55-L362 HydrophobicContact CE1-CD1 3.93Å; F55-L362 HydrophobicContact CE2-CD1 3.32Å; F55-L362 HydrophobicContact CE2-CD2 4.33Å; F55-L362 HydrophobicContact CE2-CG 3.66Å; F55-L362 HydrophobicContact CG-CD1 4.05Å; F55-L362 HydrophobicContact CZ-CD1 3.45Å; F55-L362 VanDerWaalsContact CZ-CD1 3.45Å; F55-L362 HydrophobicContact CZ-CG 4.04Å; F55-F365 HydrophobicContact CD1-CD1 4.42Å; F55-F365 HydrophobicContact CD1-CE1 4.41Å; F55-F365 AromaticContact CE1-CD1 3.41Å; F55-F365 HydrophobicContact CE1-CD1 3.41Å; F55-F365 VanDerWaalsContact CE1-CD1 3.41Å; F55-F365 AromaticContact CE1-CE1 3.69Å; F55-F365 HydrophobicContact CE1-CE1 3.69Å; F55-F365 AromaticContact CZ-CD1 3.98Å; F55-F365 HydrophobicContact CZ-CD1 3.98Å; F55-A366 HydrophobicContact CE2-CB 4.05Å; F55-A366 HydrophobicContact CZ-CB 3.71Å
56L95.3Very high95.4Very high103 Ų10350.8 Ų50.854%0.53927%0.271SS..Hα-helixtrans-59.2-44.7175.7-68.1173.4000111.3E52 S59 S60 Y89E52-L56 WeakPolarHBondContact O-CG 3.31Å; E52-L56 PolarHBondContact O-N 2.95Å; L56-S59 PolarHBondContact O-N 3.45Å; L56-S59 PolarHBondContact O-OG 2.97Å; L56-S60 PolarHBondContact O-N 3.19Å; L56-Y89 HydrophobicContact CD2-CD1 4.28Å; L56-Y89 HydrophobicContact CG-CD1 4.39Å
57Q93.9Very high95.1Very high111 Ų11159.3 Ų59.352%0.51931%0.311SS..Hα-helixtrans-64.2-45.6178-175.6179.7-4.900112.8A53 L54 F55 S60 F61A53-Q57 WeakPolarHBondContact O-CB 3.48Å; A53-Q57 PolarHBondContact O-N 3.18Å; L54-Q57 PolarHBondContact O-N 3.5Å; F55-Q57 VanDerWaalsContact C-N 3.32Å; F55-Q57 PolarHBondContact O-N 3.33Å; Q57-S60 PolarHBondContact O-OG 3.48Å; Q57-F61 HydrophobicContact CG-CZ 4.37Å; Q57-F61 WeakPolarHBondContact O-CE1 3.34Å
58I95.6Very high94.8Very high9 Ų963.8 Ų63.85%0.04633%0.331CS..Hα-helixtrans-71-36.2-179.4-64.4173.2000110.7L54 F55 S60 F61 F91 G110 L113 I114L54-I58 HydrophobicContact CD1-CD1 3.61Å; L54-I58 HydrophobicContact CD1-CG1 3.98Å; L54-I58 HydrophobicContact CD2-CD1 4.39Å; L54-I58 HydrophobicContact CG-CD1 3.75Å; L54-I58 HydrophobicContact CG-CG1 4.38Å; L54-I58 WeakPolarHBondContact O-CG1 3.31Å; L54-I58 PolarHBondContact O-N 3.47Å; F55-I58 PolarHBondContact O-N 3Å; I58-S60 PolarHBondContact O-N 3Å; I58-F61 HydrophobicContact CG1-CE2 4.41Å; I58-F61 HydrophobicContact CG2-CD2 4.21Å; I58-F61 VanDerWaalsContact O-CB 3.29Å; I58-F61 WeakPolarHBondContact O-CB 3.45Å; I58-F61 WeakPolarHBondContact O-CG 3.46Å; I58-F61 PolarHBondContact O-N 3.36Å; I58-F61 VanDerWaalsContact O-N 3.08Å; I58-F91 HydrophobicContact CB-CZ 4.17Å; I58-F91 HydrophobicContact CG2-CE1 4.08Å; I58-F91 HydrophobicContact CG2-CZ 4.14Å; I58-G110 VanDerWaalsContact CG2-CA 3.41Å; I58-G110 VanDerWaalsContact CG2-O 3.3Å; I58-G110 WeakPolarHBondContact CG2-O 3.44Å; I58-G110 WeakPolarHBondContact O-CA 3.36Å; I58-L113 HydrophobicContact CD1-CD2 4.36Å; I58-L113 HydrophobicContact CG1-CD2 4.4Å; I58-L113 HydrophobicContact CG2-CD2 4.32Å; I58-I114 HydrophobicContact CB-CD1 4.32Å; I58-I114 HydrophobicContact CD1-CD1 4.4Å; I58-I114 HydrophobicContact CD1-CG1 4.02Å; I58-I114 HydrophobicContact CG2-CD1 3.94Å; I58-I114 HydrophobicContact CG2-CG1 3.93Å
59S96.9Very high94.4Very high10 Ų1060.1 Ų60.17%0.0732%0.32CS..Hα-helixtrans-61.2-34.2179.176.20000112.5F55 L56 F61 D62 N65 Y89F55-S59 WeakPolarHBondContact O-CB 3.46Å; F55-S59 PolarHBondContact O-N 2.9Å; F55-S59 PolarHBondContact O-OG 3.44Å; L56-S59 PolarHBondContact O-N 3.45Å; L56-S59 PolarHBondContact O-OG 2.97Å; S59-F61 PolarHBondContact O-N 3.25Å; S59-D62 PolarHBondContact O-N 3.45Å; S59-N65 PolarHBondContact O-ND2 3.04Å; S59-Y89 WeakPolarHBondContact CB-O 3.35Å; S59-Y89 PolarHBondContact OG-O 3.26Å; S59-Y89 VanDerWaalsContact OG-O 3.11Å
60S96Very high94.3Very high61 Ų6163.2 Ų63.243%0.42733%0.332SS..THydrogen-bonded Turntrans-65-12.1178.875.90000113.1L56 Q57 I58 W66L56-S60 PolarHBondContact O-N 3.19Å; Q57-S60 PolarHBondContact O-OG 3.48Å; I58-S60 PolarHBondContact O-N 3Å; S60-W66 PolarHBondContact O-NE1 2.93Å
61F96.1Very high94.2Very high85 Ų8562.4 Ų62.437%0.37334%0.335SS..THydrogen-bonded Turntrans-77.2-25.2173.8-53.6-21.8000112.3Q57 I58 S59 W66 P109 L113Q57-F61 HydrophobicContact CG-CZ 4.37Å; Q57-F61 WeakPolarHBondContact O-CE1 3.34Å; I58-F61 HydrophobicContact CG1-CE2 4.41Å; I58-F61 HydrophobicContact CG2-CD2 4.21Å; I58-F61 VanDerWaalsContact O-CB 3.29Å; I58-F61 WeakPolarHBondContact O-CB 3.45Å; I58-F61 WeakPolarHBondContact O-CG 3.46Å; I58-F61 PolarHBondContact O-N 3.36Å; I58-F61 VanDerWaalsContact O-N 3.08Å; S59-F61 PolarHBondContact O-N 3.25Å; F61-W66 PolarHBondContact O-NE1 3.09Å; F61-P109 HydrophobicContact CB-CG 4.11Å; F61-P109 WeakPolarHBondContact O-CD 3.22Å; F61-P109 WeakPolarHBondContact O-CG 3.34Å; F61-L113 HydrophobicContact CE2-CD2 4.44Å
62D97.3Very high94.1Very high0 Ų068.4 Ų68.40%037%0.372CS..SBendtrans-72.9137.3178.5-71.5-3000111.3S59 N64 N65 W66 A108 G110 S111S59-D62 PolarHBondContact O-N 3.45Å; D62-N64 VanDerWaalsContact CB-OD1 3.29Å; D62-N64 WeakPolarHBondContact CB-OD1 3.46Å; D62-N64 PolarHBondContact O-N 3.03Å; D62-N64 VanDerWaalsContact O-N 3.14Å; D62-N65 WeakPolarHBondContact O-CB 3.3Å; D62-N65 PolarHBondContact O-N 3.1Å; D62-W66 PolarHBondContact O-NE1 3.19Å; D62-A108 HydrophobicContact CB-CB 4.43Å; D62-A108 WeakPolarHBondContact OD1-CA 3.27Å; D62-G110 WeakPolarHBondContact OD1-CA 3.38Å; D62-G110 PolarHBondContact OD1-N 2.89Å; D62-S111 PolarHBondContact OD1-N 2.69Å; D62-S111 WeakPolarHBondContact OD2-CB 3.38Å; D62-S111 PolarHBondContact OD2-N 3.05Å; D62-S111 PolarHBondContact OD2-OG 2.86Å
63S96.7Very high94Very high19 Ų1965 Ų6513%0.13336%0.363CS..G310 helixtrans-60.6-29.6-170.460.70000114.3N65 W66 S69 H93 K107S63-N65 PolarHBondContact O-N 2.64Å; S63-W66 PolarHBondContact O-N 2.69Å; S63-S69 VanDerWaalsContact O-CB 3.23Å; S63-S69 WeakPolarHBondContact O-CB 3.44Å; S63-S69 PolarHBondContact O-OG 3.16Å; S63-H93 PolarHBondContact OG-NE2 3.34Å; S63-K107 WeakPolarHBondContact CB-O 3.49Å; S63-K107 PolarHBondContact N-O 3.5Å; S63-K107 PolarHBondContact OG-O 3.48Å
64N95.8Very high94.2Very high16 Ų1670.6 Ų70.69%0.08638%0.379CS..G310 helixtrans-68.6-8.7175.968.6-76.2000114.1D62 R85 G90 T92 H93D62-N64 VanDerWaalsContact CB-OD1 3.29Å; D62-N64 WeakPolarHBondContact CB-OD1 3.46Å; D62-N64 PolarHBondContact O-N 3.03Å; D62-N64 VanDerWaalsContact O-N 3.14Å; N64-R85 PolarHBondContact O-NH2 3.37Å; N64-R85 VanDerWaalsContact O-NH2 3.1Å; N64-G90 PolarHBondContact ND2-O 2.86Å; N64-T92 PolarHBondContact ND2-OG1 3.44Å; N64-T92 PolarHBondContact OD1-OG1 3.49Å; N64-H93 PolarHBondContact OD1-CD2 3.01Å
65N96.1Very high94.2Very high34 Ų3476.5 Ų76.518%0.18240%0.401CS..G310 helixtrans-106.11.3178.4-63.8-46.5000113S59 D62 S63 R85 G90S59-N65 PolarHBondContact O-ND2 3.04Å; D62-N65 WeakPolarHBondContact O-CB 3.3Å; D62-N65 PolarHBondContact O-N 3.1Å; S63-N65 PolarHBondContact O-N 2.64Å; N65-R85 PolarHBondContact OD1-NH2 2.67Å; N65-G90 PolarHBondContact ND2-O 2.81Å
66W95Very high94.1Very high137 Ų13777.7 Ų77.752%0.51941%0.407SS..  trans-80.6135176-53-17.1000111.1S60 F61 D62 S63 N68 S69S60-W66 PolarHBondContact O-NE1 2.93Å; F61-W66 PolarHBondContact O-NE1 3.09Å; D62-W66 PolarHBondContact O-NE1 3.19Å; S63-W66 PolarHBondContact O-N 2.69Å; W66-N68 VanDerWaalsContact C-N 3.28Å; W66-N68 PolarHBondContact O-N 3.42Å; W66-S69 WeakPolarHBondContact O-CB 3.02Å; W66-S69 PolarHBondContact O-N 3.26Å; W66-S69 VanDerWaalsContact O-N 3.16Å; W66-S69 PolarHBondContact O-OG 3.03Å
67E89.3Confident94.1Very high192 Ų19273.5 Ų73.590%0.89739%0.388SS*.THydrogen-bonded Turntrans-57.2-38.9-176-66.2-179.1168.300113.1
68N87.8Confident94.2Very high151 Ų15176.5 Ų76.581%0.80740%0.395SS*.THydrogen-bonded Turntrans-105.325.5-177.9-61.2-40.4000112.7W66 V70W66-N68 VanDerWaalsContact C-N 3.28Å; W66-N68 PolarHBondContact O-N 3.42Å; N68-V70 PolarHBondContact O-N 3.08Å
69S87.9Confident94.2Very high55 Ų5578.4 Ų78.439%0.38541%0.407SS..  trans-69.9126.2176.6550000111.1S63 W66S63-S69 VanDerWaalsContact O-CB 3.23Å; S63-S69 WeakPolarHBondContact O-CB 3.44Å; S63-S69 PolarHBondContact O-OG 3.16Å; W66-S69 WeakPolarHBondContact O-CB 3.02Å; W66-S69 PolarHBondContact O-N 3.26Å; W66-S69 VanDerWaalsContact O-N 3.16Å; W66-S69 PolarHBondContact O-OG 3.03Å
70V91.4Very high94.2Very high126 Ų12686.3 Ų86.376%0.76445%0.447SS*.  trans-113.2100172.1-177.20000108.2N68 V72N68-V70 PolarHBondContact O-N 3.08Å; V70-V72 HydrophobicContact CG1-CG1 4.24Å
71G91.4Very high94.3Very high25 Ų2586.4 Ų86.426%0.25845%0.445SS..  trans-87.5114.9177.500000111.4E76 R78G71-E76 WeakPolarHBondContact CA-OE2 3.37Å; G71-R78 PolarHBondContact O-NH2 2.9Å
72V94.4Very high94.3Very high138 Ų13887.3 Ų87.384%0.83645%0.454SS*.  trans-107.57.7176.1-63.10000113.2V70V70-V72 HydrophobicContact CG1-CG1 4.24Å
73G94.7Very high94.2Very high24 Ų2492.8 Ų92.825%0.24748%0.478CS..SBendtrans-95.1178.317500000114.1E76G73-E76 WeakPolarHBondContact CA-OE1 3.43Å; G73-E76 PolarHBondContact N-OE1 2.85Å; G73-E76 VanDerWaalsContact O-CG 3.27Å; G73-E76 WeakPolarHBondContact O-CG 3.36Å
74E95.5Very high94.3Very high171 Ų17194.8 Ų94.880%0.79949%0.486SS*.SBendtrans-81.3-26.3178.283.2-62164.400112.6
75R93.8Very high94.3Very high134 Ų13498.1 Ų98.151%0.50650%0.498SS..  trans-12471.9-177-168.7178.3-72.4177.7-2111.9
76E95.7Very high94.3Very high31 Ų31104.5 Ų104.515%0.14552%0.519CS..SBendtrans-99.412.3-175.3-56.7-56.2116.700114.2G71 G73 R78 K107G71-E76 WeakPolarHBondContact CA-OE2 3.37Å; G73-E76 WeakPolarHBondContact CA-OE1 3.43Å; G73-E76 PolarHBondContact N-OE1 2.85Å; G73-E76 VanDerWaalsContact O-CG 3.27Å; G73-E76 WeakPolarHBondContact O-CG 3.36Å; E76-R78 VanDerWaalsContact C-N 3.25Å; E76-R78 HydrophobicContact CB-CG 4.25Å; E76-R78 PolarHBondContact O-N 3.5Å; E76-K107 IonicContact OE1-NZ 2.71Å; E76-K107 PolarHBondContact OE1-NZ 3.2Å; E76-K107 IonicContact OE2-NZ 3.17Å
77G95.2Very high94.4Very high15 Ų15104.7 Ų104.716%0.15552%0.52CS..  trans68.322177.800000114.4T92G77-T92 VanDerWaalsContact CA-OG1 3.26Å; G77-T92 WeakPolarHBondContact CA-OG1 3.47Å; G77-T92 PolarHBondContact O-OG1 2.97Å; G77-T92 VanDerWaalsContact O-OG1 3.14Å
78R95.7Very high94.8Very high174 Ų17497.3 Ų97.366%0.65749%0.485SS*.  trans-67.4134.3177.5-57.3-174.9-169.9107.6-0.3110.3G71 E76G71-R78 PolarHBondContact O-NH2 2.9Å; E76-R78 VanDerWaalsContact C-N 3.25Å; E76-R78 HydrophobicContact CB-CG 4.25Å; E76-R78 PolarHBondContact O-N 3.5Å
79V96.5Very high95.3Very high49 Ų4993.1 Ų93.130%0.29746%0.459SS..  trans-126120.3176.8178.80000108.9V81 I84 R85 T92V79-V81 WeakPolarHBondContact CG1-O 3.32Å; V79-I84 HydrophobicContact CG1-CB 3.98Å; V79-I84 HydrophobicContact CG1-CG2 4.11Å; V79-R85 HydrophobicContact CB-CB 4.31Å; V79-R85 HydrophobicContact CG1-CB 4.09Å; V79-T92 HydrophobicContact CG2-CG2 3.46Å; V79-T92 VanDerWaalsContact CG2-CG2 3.46Å
80L97Very high95.7Very high175 Ų17590.7 Ų90.792%0.91644%0.442SS*.SBendtrans-70-46.2-177179.663.6000112.3
81V96.7Very high96Very high64 Ų6486 Ų8639%0.38841%0.411SS..SBendtrans-100.2116.3-173-171.40000110.2V79 F83 I84V79-V81 WeakPolarHBondContact CG1-O 3.32Å; V81-F83 VanDerWaalsContact C-N 3.3Å; V81-F83 HydrophobicContact CB-CD1 4.42Å; V81-F83 HydrophobicContact CB-CE1 4.43Å; V81-F83 HydrophobicContact CG1-CD1 3.28Å; V81-F83 HydrophobicContact CG1-CE1 3.5Å; V81-F83 HydrophobicContact CG1-CG 4.32Å; V81-F83 PolarHBondContact O-N 2.97Å; V81-I84 HydrophobicContact CB-CD1 4.04Å; V81-I84 HydrophobicContact CB-CG1 4.23Å; V81-I84 HydrophobicContact CG2-CD1 4.5Å; V81-I84 WeakPolarHBondContact O-CB 3.46Å; V81-I84 PolarHBondContact O-N 3.45Å
82N95.6Very high96.2Very high103 Ų10386.6 Ų86.655%0.55141%0.41SS*.Hα-helixtrans-62.3-31.4-170.3-168.635.2000114.2I84 R85 R86N82-I84 PolarHBondContact O-N 3.05Å; N82-R85 WeakPolarHBondContact O-CB 3.47Å; N82-R85 PolarHBondContact O-N 3.2Å; N82-R85 VanDerWaalsContact O-N 3.14Å; N82-R86 WeakPolarHBondContact O-CG 3.46Å; N82-R86 PolarHBondContact O-N 2.73Å
83F96.9Very high96.3Very high115 Ų11580.4 Ų80.450%0.50437%0.372SS..Hα-helixtrans-62.8-32.6176.691-102.6000112.1V81 R86 R87V81-F83 VanDerWaalsContact C-N 3.3Å; V81-F83 HydrophobicContact CB-CD1 4.42Å; V81-F83 HydrophobicContact CB-CE1 4.43Å; V81-F83 HydrophobicContact CG1-CD1 3.28Å; V81-F83 HydrophobicContact CG1-CE1 3.5Å; V81-F83 HydrophobicContact CG1-CG 4.32Å; V81-F83 PolarHBondContact O-N 2.97Å; F83-R86 PolarHBondContact O-N 3.41Å; F83-R87 PolarHBondContact O-N 2.97Å
84I97.3Very high96.3Very high61 Ų6180 Ų8031%0.31337%0.368SS..Hα-helixtrans-67.3-39.7176.2-60.3177.8000109.9V79 V81 N82 R87 H88V79-I84 HydrophobicContact CG1-CB 3.98Å; V79-I84 HydrophobicContact CG1-CG2 4.11Å; V81-I84 HydrophobicContact CB-CD1 4.04Å; V81-I84 HydrophobicContact CB-CG1 4.23Å; V81-I84 HydrophobicContact CG2-CD1 4.5Å; V81-I84 WeakPolarHBondContact O-CB 3.46Å; V81-I84 PolarHBondContact O-N 3.45Å; N82-I84 PolarHBondContact O-N 3.05Å; I84-R87 WeakPolarHBondContact O-CG 3.17Å; I84-H88 PolarHBondContact O-CD2 3.27Å; I84-H88 VanDerWaalsContact O-CD2 3.23Å; I84-H88 PolarHBondContact O-N 2.86Å
85R96.3Very high96.3Very high87 Ų8772.1 Ų72.133%0.32833%0.331SS..Hα-helixtrans-62.5-46.6174.4-174.4180-175.7145.12.4110.9N64 N65 V79 N82 H88 Y89 G90N64-R85 PolarHBondContact O-NH2 3.37Å; N64-R85 VanDerWaalsContact O-NH2 3.1Å; N65-R85 PolarHBondContact OD1-NH2 2.67Å; V79-R85 HydrophobicContact CB-CB 4.31Å; V79-R85 HydrophobicContact CG1-CB 4.09Å; N82-R85 WeakPolarHBondContact O-CB 3.47Å; N82-R85 PolarHBondContact O-N 3.2Å; N82-R85 VanDerWaalsContact O-N 3.14Å; R85-H88 CarbonylContact O-C 3.56Å; R85-H88 PolarHBondContact O-N 3.43Å; R85-Y89 PolarHBondContact O-N 2.88Å; R85-G90 PolarHBondContact O-N 2.94Å
86R96.9Very high96.2Very high167 Ų16765.9 Ų65.963%0.6331%0.309SS*.Hα-helixtrans-64.4-45.2-179.2-69.5-171.2-62.2119.2-2.8112.8N82 F83 H88 Y89N82-R86 WeakPolarHBondContact O-CG 3.46Å; N82-R86 PolarHBondContact O-N 2.73Å; F83-R86 PolarHBondContact O-N 3.41Å; R86-H88 PolarHBondContact O-N 2.83Å; R86-H88 VanDerWaalsContact O-N 3.14Å; R86-Y89 PolarHBondContact O-N 3.44Å
87R96.8Very high95.9Very high141 Ų14170.5 Ų70.553%0.53233%0.325SS..Hα-helixtrans-62.7-22.9179.584.1176.3-170.381.8-10113.5F83 I84F83-R87 PolarHBondContact O-N 2.97Å; I84-R87 WeakPolarHBondContact O-CG 3.17Å
88H97.4Very high95.2Very high38 Ų3874.5 Ų74.518%0.17635%0.351CS..THydrogen-bonded Turntrans-102.411.2177.9-73.4-61.5000112.8I84 R85 R86 G90 F91I84-H88 PolarHBondContact O-CD2 3.27Å; I84-H88 VanDerWaalsContact O-CD2 3.23Å; I84-H88 PolarHBondContact O-N 2.86Å; R85-H88 CarbonylContact O-C 3.56Å; R85-H88 PolarHBondContact O-N 3.43Å; R86-H88 PolarHBondContact O-N 2.83Å; R86-H88 VanDerWaalsContact O-N 3.14Å; H88-G90 PolarHBondContact O-N 3.38Å; H88-F91 VanDerWaalsContact O-CD2 3.29Å; H88-F91 WeakPolarHBondContact O-CD2 3.2Å; H88-F91 PolarHBondContact O-N 3.39Å
89Y97.7Very high94.6Very high63 Ų6368.8 Ų68.825%0.24735%0.346CS..THydrogen-bonded Turntrans5227.6-178.6-63.7-98.3000113.9E52 F55 L56 S59 R85 R86 F91 L362E52-Y89 HydrophobicContact CB-CE1 4.23Å; E52-Y89 HydrophobicContact CG-CE1 4.1Å; F55-Y89 HydrophobicContact CB-CD1 3.58Å; F55-Y89 HydrophobicContact CB-CE1 4.17Å; F55-Y89 HydrophobicContact CB-CG 3.79Å; F55-Y89 HydrophobicContact CD2-CD1 4.07Å; F55-Y89 AromaticContact CD2-CD2 3.77Å; F55-Y89 HydrophobicContact CD2-CD2 3.77Å; F55-Y89 HydrophobicContact CD2-CE1 4.14Å; F55-Y89 AromaticContact CD2-CE2 3.85Å; F55-Y89 HydrophobicContact CD2-CE2 3.85Å; F55-Y89 AromaticContact CD2-CG 3.88Å; F55-Y89 HydrophobicContact CD2-CG 3.88Å; F55-Y89 HydrophobicContact CE2-CE2 4.44Å; F55-Y89 HydrophobicContact CG-CD1 4.36Å; F55-Y89 HydrophobicContact CG-CG 4.33Å; L56-Y89 HydrophobicContact CD2-CD1 4.28Å; L56-Y89 HydrophobicContact CG-CD1 4.39Å; S59-Y89 WeakPolarHBondContact CB-O 3.35Å; S59-Y89 PolarHBondContact OG-O 3.26Å; S59-Y89 VanDerWaalsContact OG-O 3.11Å; R85-Y89 PolarHBondContact O-N 2.88Å; R86-Y89 PolarHBondContact O-N 3.44Å; Y89-F91 VanDerWaalsContact C-N 3.33Å; Y89-F91 PolarHBondContact O-N 2.76Å; Y89-L362 HydrophobicContact CD2-CD2 4Å
90G96.6Very high94.2Very high4 Ų468.2 Ų68.24%0.04134%0.341CS..THydrogen-bonded Turntrans79.12.8-177.900000116.2N64 N65 R85 H88 T92N64-G90 PolarHBondContact ND2-O 2.86Å; N65-G90 PolarHBondContact ND2-O 2.81Å; R85-G90 PolarHBondContact O-N 2.94Å; H88-G90 PolarHBondContact O-N 3.38Å; G90-T92 PolarHBondContact O-N 3.07Å
91F97.5Very high94Very high26 Ų2660 Ų6011%0.11430%0.298CS..  trans-77.9106.3172.3-61.7-69000110.6F55 I58 H88 Y89 S111 I114 L362F55-F91 HydrophobicContact CB-CE2 4.23Å; F55-F91 HydrophobicContact CG-CE2 4.5Å; F55-F91 WeakPolarHBondContact O-CZ 3.43Å; I58-F91 HydrophobicContact CB-CZ 4.17Å; I58-F91 HydrophobicContact CG2-CE1 4.08Å; I58-F91 HydrophobicContact CG2-CZ 4.14Å; H88-F91 VanDerWaalsContact O-CD2 3.29Å; H88-F91 WeakPolarHBondContact O-CD2 3.2Å; H88-F91 PolarHBondContact O-N 3.39Å; Y89-F91 VanDerWaalsContact C-N 3.33Å; Y89-F91 PolarHBondContact O-N 2.76Å; F91-S111 WeakPolarHBondContact CD1-OG 3.28Å; F91-I114 HydrophobicContact CD1-CD1 4.43Å; F91-I114 HydrophobicContact CD2-CD1 4.41Å; F91-I114 HydrophobicContact CE1-CD1 3.61Å; F91-I114 HydrophobicContact CE2-CD1 3.62Å; F91-I114 HydrophobicContact CZ-CD1 3.16Å; F91-L362 HydrophobicContact CD2-CD1 3.95Å; F91-L362 HydrophobicContact CD2-CD2 4.42Å; F91-L362 HydrophobicContact CE2-CD1 3.92Å
92T96.8Very high93.6Very high38 Ų3859 Ų5923%0.23330%0.297CS..  trans-123.1-16.6-170.963.50000114.3N64 G77 V79 G90 G94N64-T92 PolarHBondContact ND2-OG1 3.44Å; N64-T92 PolarHBondContact OD1-OG1 3.49Å; G77-T92 VanDerWaalsContact CA-OG1 3.26Å; G77-T92 WeakPolarHBondContact CA-OG1 3.47Å; G77-T92 PolarHBondContact O-OG1 2.97Å; G77-T92 VanDerWaalsContact O-OG1 3.14Å; V79-T92 HydrophobicContact CG2-CG2 3.46Å; V79-T92 VanDerWaalsContact CG2-CG2 3.46Å; G90-T92 PolarHBondContact O-N 3.07Å; T92-G94 VanDerWaalsContact C-N 3.33Å; T92-G94 PolarHBondContact O-N 2.85Å
93H95.8Very high93.3Very high9 Ų955.4 Ų55.44%0.04228%0.281CS..SBendtrans-82.7-8.7-173.7-80.7-63.1000114.9S63 N64 A108 R355S63-H93 PolarHBondContact OG-NE2 3.34Å; N64-H93 PolarHBondContact OD1-CD2 3.01Å; H93-A108 HydrophobicContact CB-CB 3.48Å; H93-A108 VanDerWaalsContact CB-CB 3.48Å; H93-R355 PolarHBondContact O-NH1 2.96Å
94G95Very high93.2Very high15 Ų1554.4 Ų54.416%0.15528%0.28CS..  trans72.6-163.5-172.100000112.7T92 A356T92-G94 VanDerWaalsContact C-N 3.33Å; T92-G94 PolarHBondContact O-N 2.85Å; G94-A356 CarbonylContact C-O 3.54Å; G94-A356 VanDerWaalsContact CA-O 3.27Å; G94-A356 WeakPolarHBondContact CA-O 3.41Å
95I94.6Very high93Very high6 Ų651.8 Ų51.83%0.03127%0.266CS..BIsolated β-bridgetrans-111.2152.6176.161.8171.8000111.5I101 C115 P141 R355 A356I95-I101 HydrophobicContact CD1-CD1 4.23Å; I95-I101 HydrophobicContact CD1-CG1 4.1Å; I95-I101 HydrophobicContact CG1-CG1 4.24Å; I95-C115 HydrophobicContact CB-CB 4.41Å; I95-C115 HydrophobicContact CG2-CB 3.87Å; I95-P141 HydrophobicContact CD1-CG 4.29Å; I95-R355 WeakPolarHBondContact O-CA 3.43Å; I95-R355 WeakPolarHBondContact O-CB 3.42Å; I95-A356 HydrophobicContact CD1-CB 4.34Å; I95-A356 HydrophobicContact CG1-CB 3.93Å; I95-A356 PolarHBondContact N-O 3.15Å; I95-A356 PolarHBondContact O-N 3.03Å; I95-A356 VanDerWaalsContact O-N 3.13Å
96G91.5Very high92.8Very high3 Ų352 Ų523%0.03128%0.279CS..SBendtrans78.5-173173.800000116I101 A103 Q105G96-I101 WeakPolarHBondContact CA-O 3.34Å; G96-I101 PolarHBondContact N-O 3.12Å; G96-A103 WeakPolarHBondContact CA-O 3.1Å; G96-Q105 PolarHBondContact O-NE2 3.44Å
97R90.6Very high92.6Very high127 Ų12747.3 Ų47.348%0.47926%0.263SS..BIsolated β-bridgetrans-120172.8171.2-64-176.670.3168.7-1.4109.7G99 D100 A103 I104 G354R97-G99 PolarHBondContact O-N 3.31Å; R97-G99 VanDerWaalsContact O-N 3.14Å; R97-D100 PolarHBondContact N-O 3.12Å; R97-D100 PolarHBondContact O-N 2.95Å; R97-A103 HydrophobicContact CB-CB 4.08Å; R97-A103 HydrophobicContact CG-CB 3.86Å; R97-I104 VanDerWaalsContact CD-O 3.29Å; R97-I104 WeakPolarHBondContact CD-O 3.22Å; R97-G354 CarbonylContact O-C 3.48Å
98S81.1Confident92.6Very high100 Ų10040.6 Ų40.670%0.69924%0.238SC*.THydrogen-bonded Turntrans-57.1-29.3-176.945.30000114.8G354S98-G354 WeakPolarHBondContact O-CA 3.27Å; S98-G354 PolarHBondContact O-N 2.93Å
99G82.5Confident92.6Very high54 Ų5441.3 Ų41.356%0.55725%0.246SC*.THydrogen-bonded Turntrans-110.3-1.4-178.600000115.6R97R97-G99 PolarHBondContact O-N 3.31Å; R97-G99 VanDerWaalsContact O-N 3.14Å
100D88.2Confident92.5Very high36 Ų3638.3 Ų38.319%0.19323%0.234CC..BIsolated β-bridgetrans-160.5117.4-179-175.6-10.2000109.6R97 A102 A103 K350R97-D100 PolarHBondContact N-O 3.12Å; R97-D100 PolarHBondContact O-N 2.95Å; D100-A102 PolarHBondContact O-N 3.48Å; D100-A102 WeakPolarHBondContact OD1-CB 3.3Å; D100-A102 PolarHBondContact OD1-N 2.88Å; D100-A103 HydrophobicContact CB-CB 3.83Å; D100-A103 PolarHBondContact O-N 2.96Å; D100-K350 HydrophobicContact CB-CG 4.4Å
101I91.9Very high92.6Very high4 Ų438.6 Ų38.62%0.02124%0.235CC..THydrogen-bonded Turntrans-66.4-22.9-179.9-162.8173000112.7I95 G96 F138 A349 Y352 A356I95-I101 HydrophobicContact CD1-CD1 4.23Å; I95-I101 HydrophobicContact CD1-CG1 4.1Å; I95-I101 HydrophobicContact CG1-CG1 4.24Å; G96-I101 WeakPolarHBondContact CA-O 3.34Å; G96-I101 PolarHBondContact N-O 3.12Å; I101-F138 HydrophobicContact CG2-CD2 4.36Å; I101-F138 HydrophobicContact CG2-CE2 4.17Å; I101-A349 HydrophobicContact CG2-CB 3.99Å; I101-A349 WeakPolarHBondContact CG2-O 3.24Å; I101-Y352 HydrophobicContact CB-CD1 4.25Å; I101-Y352 HydrophobicContact CB-CG 4.34Å; I101-Y352 HydrophobicContact CD1-CD1 3.87Å; I101-Y352 HydrophobicContact CD1-CD2 4.05Å; I101-Y352 HydrophobicContact CD1-CE1 4.12Å; I101-Y352 HydrophobicContact CD1-CE2 4.27Å; I101-Y352 HydrophobicContact CD1-CG 3.85Å; I101-Y352 HydrophobicContact CG1-CD1 4.32Å; I101-A356 HydrophobicContact CD1-CB 3.6Å; I101-A356 HydrophobicContact CG1-CB 4.08Å
102A87.8Confident92.5Very high43 Ų4337.8 Ų37.836%0.35523%0.233SC..THydrogen-bonded Turntrans-92-7.9179.300000113.4D100D100-A102 PolarHBondContact O-N 3.48Å; D100-A102 WeakPolarHBondContact OD1-CB 3.3Å; D100-A102 PolarHBondContact OD1-N 2.88Å
103A90.6Very high92.5Very high27 Ų2739 Ų3922%0.22324%0.238CC..SBendtrans-72.5143.8-177.500000113.3G96 R97 D100 Q105G96-A103 WeakPolarHBondContact CA-O 3.1Å; R97-A103 HydrophobicContact CB-CB 4.08Å; R97-A103 HydrophobicContact CG-CB 3.86Å; D100-A103 HydrophobicContact CB-CB 3.83Å; D100-A103 PolarHBondContact O-N 2.96Å; A103-Q105 PolarHBondContact O-N 2.92Å
104I93.9Very high92.5Very high93 Ų9338.9 Ų38.948%0.47724%0.237SC..  trans-64.7128.9177.4-62.7173.5000110.2R97 P106R97-I104 VanDerWaalsContact CD-O 3.29Å; R97-I104 WeakPolarHBondContact CD-O 3.22Å; I104-P106 WeakPolarHBondContact O-CD 3.38Å
105Q93.5Very high92.5Very high7 Ų738.6 Ų38.63%0.03323%0.233CC..  trans-89.2111.2176.4178.648.4-119.400110.6G96 A103 K107 A108 S112 R355G96-Q105 PolarHBondContact O-NE2 3.44Å; A103-Q105 PolarHBondContact O-N 2.92Å; Q105-K107 VanDerWaalsContact C-N 3.25Å; Q105-K107 HydrophobicContact CG-CB 4.44Å; Q105-K107 PolarHBondContact O-N 3.22Å; Q105-A108 HydrophobicContact CB-CB 4.06Å; Q105-A108 HydrophobicContact CG-CB 3.62Å; Q105-A108 CarbonylContact O-C 3.53Å; Q105-A108 PolarHBondContact O-N 3.11Å; Q105-S112 PolarHBondContact N-OG 3.38Å; Q105-R355 VanDerWaalsContact CD-CZ 3.46Å
106P91.8Very high92.6Very high91 Ų9145.4 Ų45.459%0.59126%0.258SS*.THydrogen-bonded Turntrans-61-30.9-178.222.8-34.8000113.7I104 A108I104-P106 WeakPolarHBondContact O-CD 3.38Å; P106-A108 VanDerWaalsContact C-N 3.27Å; P106-A108 PolarHBondContact O-N 2.99Å
107K93.9Very high92.8Very high69 Ų6945.9 Ų45.930%0.326%0.26SS..THydrogen-bonded Turntrans-76.6-12.7175.1-64.5-170.9178.3-174.40113.7S63 E76 Q105S63-K107 WeakPolarHBondContact CB-O 3.49Å; S63-K107 PolarHBondContact N-O 3.5Å; S63-K107 PolarHBondContact OG-O 3.48Å; E76-K107 IonicContact OE1-NZ 2.71Å; E76-K107 PolarHBondContact OE1-NZ 3.2Å; E76-K107 IonicContact OE2-NZ 3.17Å; Q105-K107 VanDerWaalsContact C-N 3.25Å; Q105-K107 HydrophobicContact CG-CB 4.44Å; Q105-K107 PolarHBondContact O-N 3.22Å
108A96.1Very high93.1Very high0 Ų039.9 Ų39.90%024%0.237CC..  trans-142.861.9-171.300000111.8D62 H93 Q105 P106 G110 S111 S112D62-A108 HydrophobicContact CB-CB 4.43Å; D62-A108 WeakPolarHBondContact OD1-CA 3.27Å; H93-A108 HydrophobicContact CB-CB 3.48Å; H93-A108 VanDerWaalsContact CB-CB 3.48Å; Q105-A108 HydrophobicContact CB-CB 4.06Å; Q105-A108 HydrophobicContact CG-CB 3.62Å; Q105-A108 CarbonylContact O-C 3.53Å; Q105-A108 PolarHBondContact O-N 3.11Å; P106-A108 VanDerWaalsContact C-N 3.27Å; P106-A108 PolarHBondContact O-N 2.99Å; A108-G110 PolarHBondContact O-N 2.8Å; A108-S111 PolarHBondContact O-N 2.81Å; A108-S112 WeakPolarHBondContact O-CB 2.98Å; A108-S112 PolarHBondContact O-N 2.81Å; A108-S112 PolarHBondContact O-OG 3.34Å
109P96.4Very high93.9Very high53 Ų5336 Ų3634%0.34421%0.209SC..Hα-helixtrans-62.4-30.8178.726.4-35.6000112.7F61 S112 L113F61-P109 HydrophobicContact CB-CG 4.11Å; F61-P109 WeakPolarHBondContact O-CD 3.22Å; F61-P109 WeakPolarHBondContact O-CG 3.34Å; P109-S112 PolarHBondContact O-N 2.93Å; P109-L113 WeakPolarHBondContact O-CB 3.39Å; P109-L113 PolarHBondContact O-N 3.44Å
110G96.8Very high94.6Very high0 Ų038.2 Ų38.20%021%0.205CC..Hα-helixtrans-69-49.4175.400000112.5I58 D62 A108 S112 L113 I114I58-G110 VanDerWaalsContact CG2-CA 3.41Å; I58-G110 VanDerWaalsContact CG2-O 3.3Å; I58-G110 WeakPolarHBondContact CG2-O 3.44Å; I58-G110 WeakPolarHBondContact O-CA 3.36Å; D62-G110 WeakPolarHBondContact OD1-CA 3.38Å; D62-G110 PolarHBondContact OD1-N 2.89Å; A108-G110 PolarHBondContact O-N 2.8Å; G110-S112 PolarHBondContact O-N 2.78Å; G110-L113 WeakPolarHBondContact O-CB 3.5Å; G110-L113 PolarHBondContact O-N 2.64Å; G110-I114 PolarHBondContact O-N 3.48Å
111S97.3Very high95.1Very high9 Ų936.5 Ų36.56%0.06320%0.195CC..Hα-helixtrans-57-39.8171.9-68.70000111.7D62 F91 A108 C115D62-S111 PolarHBondContact OD1-N 2.69Å; D62-S111 WeakPolarHBondContact OD2-CB 3.38Å; D62-S111 PolarHBondContact OD2-N 3.05Å; D62-S111 PolarHBondContact OD2-OG 2.86Å; F91-S111 WeakPolarHBondContact CD1-OG 3.28Å; A108-S111 PolarHBondContact O-N 2.81Å; S111-C115 WeakPolarHBondContact O-CB 3.38Å; S111-C115 PolarHBondContact O-N 3.36Å
112S96.9Very high95.4Very high10 Ų1036.3 Ų36.37%0.0719%0.194CC..Hα-helixtrans-66.4-41177.7-56.50000112.3Q105 A108 P109 G110 C115 R116Q105-S112 PolarHBondContact N-OG 3.38Å; A108-S112 WeakPolarHBondContact O-CB 2.98Å; A108-S112 PolarHBondContact O-N 2.81Å; A108-S112 PolarHBondContact O-OG 3.34Å; P109-S112 PolarHBondContact O-N 2.93Å; G110-S112 PolarHBondContact O-N 2.78Å; S112-C115 PolarHBondContact O-N 3.06Å; S112-R116 WeakPolarHBondContact O-CG 3.37Å; S112-R116 PolarHBondContact O-N 3.45Å
113L95.6Very high95.9Very high63 Ų6334.8 Ų34.833%0.3318%0.181SC..Hα-helixtrans-61.4-48.9176.5175.960.1000110.9L36 I58 F61 P109 G110 C115 R116 L117L36-L113 HydrophobicContact CD2-CD1 4.26Å; I58-L113 HydrophobicContact CD1-CD2 4.36Å; I58-L113 HydrophobicContact CG1-CD2 4.4Å; I58-L113 HydrophobicContact CG2-CD2 4.32Å; F61-L113 HydrophobicContact CE2-CD2 4.44Å; P109-L113 WeakPolarHBondContact O-CB 3.39Å; P109-L113 PolarHBondContact O-N 3.44Å; G110-L113 WeakPolarHBondContact O-CB 3.5Å; G110-L113 PolarHBondContact O-N 2.64Å; L113-C115 PolarHBondContact O-N 3.35Å; L113-R116 PolarHBondContact O-N 3.27Å; L113-L117 WeakPolarHBondContact O-CB 3.42Å; L113-L117 PolarHBondContact O-N 3.23Å
114I95.8Very high96.3Very high6 Ų634.3 Ų34.33%0.03117%0.174CC..Hα-helixtrans-58.9-47.3176.9-74.7174.4000110.6I58 F91 G110 R116 L117 T118 T361 L362 F365I58-I114 HydrophobicContact CB-CD1 4.32Å; I58-I114 HydrophobicContact CD1-CD1 4.4Å; I58-I114 HydrophobicContact CD1-CG1 4.02Å; I58-I114 HydrophobicContact CG2-CD1 3.94Å; I58-I114 HydrophobicContact CG2-CG1 3.93Å; F91-I114 HydrophobicContact CD1-CD1 4.43Å; F91-I114 HydrophobicContact CD2-CD1 4.41Å; F91-I114 HydrophobicContact CE1-CD1 3.61Å; F91-I114 HydrophobicContact CE2-CD1 3.62Å; F91-I114 HydrophobicContact CZ-CD1 3.16Å; G110-I114 PolarHBondContact O-N 3.48Å; I114-R116 PolarHBondContact O-N 3.3Å; I114-L117 PolarHBondContact O-N 2.88Å; I114-T118 VanDerWaalsContact O-CB 3.28Å; I114-T118 WeakPolarHBondContact O-CB 3.23Å; I114-T118 PolarHBondContact O-N 2.96Å; I114-T118 PolarHBondContact O-OG1 3.34Å; I114-T361 HydrophobicContact CG2-CG2 3.88Å; I114-L362 HydrophobicContact CD1-CD1 4.27Å; I114-F365 HydrophobicContact CG1-CD1 4.18Å; I114-F365 HydrophobicContact CG1-CE1 4.1Å; I114-F365 HydrophobicContact CG2-CB 4.24Å; I114-F365 HydrophobicContact CG2-CD1 3.89Å; I114-F365 HydrophobicContact CG2-CG 4.11Å
115C96.4Very high96.5Very high10 Ų1030 Ų307%0.06815%0.152CC..Hα-helixtrans-57.9-50.2179.2-176.20000112.4I95 S111 S112 L113 L117 T118 N119 T361I95-C115 HydrophobicContact CB-CB 4.41Å; I95-C115 HydrophobicContact CG2-CB 3.87Å; S111-C115 WeakPolarHBondContact O-CB 3.38Å; S111-C115 PolarHBondContact O-N 3.36Å; S112-C115 PolarHBondContact O-N 3.06Å; L113-C115 PolarHBondContact O-N 3.35Å; C115-L117 PolarHBondContact O-N 3.46Å; C115-T118 PolarHBondContact O-N 3.35Å; C115-N119 PolarHBondContact O-N 3.24Å; C115-N119 VanDerWaalsContact O-N 3.08Å; C115-N119 PolarHBondContact O-ND2 2.71Å; C115-T361 HydrophobicContact CB-CG2 4.29Å
116R95.6Very high96.7Very high149 Ų14929.6 Ų29.656%0.56215%0.15SC*.Hα-helixtrans-63.9-43.6-179.8-70.8-169.573-173.12.3112.3S112 L113 I114 N119 Q120S112-R116 WeakPolarHBondContact O-CG 3.37Å; S112-R116 PolarHBondContact O-N 3.45Å; L113-R116 PolarHBondContact O-N 3.27Å; I114-R116 PolarHBondContact O-N 3.3Å; R116-N119 PolarHBondContact O-N 2.88Å; R116-Q120 PolarHBondContact O-N 3.2Å
117L95.6Very high97Very high13 Ų1330 Ų307%0.06814%0.14CC..Hα-helixtrans-66.8-40.9179.4-171.959.9000111.2V35 L36 L113 I114 C115 N119 Q120 L121 F365V35-L117 HydrophobicContact CG1-CD1 4.22Å; V35-L117 HydrophobicContact CG1-CD2 4.18Å; L36-L117 HydrophobicContact CD2-CD2 3.85Å; L113-L117 WeakPolarHBondContact O-CB 3.42Å; L113-L117 PolarHBondContact O-N 3.23Å; I114-L117 PolarHBondContact O-N 2.88Å; C115-L117 PolarHBondContact O-N 3.46Å; L117-N119 VanDerWaalsContact C-N 3.3Å; L117-N119 PolarHBondContact O-N 3.31Å; L117-Q120 PolarHBondContact O-N 2.68Å; L117-Q120 VanDerWaalsContact O-N 3.1Å; L117-L121 HydrophobicContact CG-CG 4.43Å; L117-L121 WeakPolarHBondContact O-CG 3.46Å; L117-L121 PolarHBondContact O-N 2.54Å; L117-F365 HydrophobicContact CB-CE2 4.23Å; L117-F365 HydrophobicContact CD2-CE2 3.54Å; L117-F365 HydrophobicContact CD2-CZ 3.6Å; L117-F365 HydrophobicContact CG-CE2 3.77Å; L117-F365 HydrophobicContact CG-CZ 4.33Å
118T97.5Very high97.2Very high0 Ų030.3 Ų30.30%014%0.141CC..Hα-helixtrans-56.1-45.4174.3-55.80000111.4I114 C115 Q120 L121 L122 L139 T361 T364 F365I114-T118 VanDerWaalsContact O-CB 3.28Å; I114-T118 WeakPolarHBondContact O-CB 3.23Å; I114-T118 PolarHBondContact O-N 2.96Å; I114-T118 PolarHBondContact O-OG1 3.34Å; C115-T118 PolarHBondContact O-N 3.35Å; T118-Q120 VanDerWaalsContact C-N 3.32Å; T118-Q120 PolarHBondContact O-N 2.72Å; T118-L121 PolarHBondContact O-N 2.98Å; T118-L122 HydrophobicContact CG2-CD1 3.99Å; T118-L122 HydrophobicContact CG2-CG 4.38Å; T118-L122 WeakPolarHBondContact O-CB 3.23Å; T118-L122 VanDerWaalsContact O-CG 3.26Å; T118-L122 WeakPolarHBondContact O-CG 3.28Å; T118-L122 PolarHBondContact O-N 3.47Å; T118-L139 HydrophobicContact CG2-CD1 4.35Å; T118-T361 HydrophobicContact CG2-CG2 4.1Å; T118-T361 WeakPolarHBondContact OG1-CG2 3.32Å; T118-T364 HydrophobicContact CG2-CG2 3.91Å; T118-F365 HydrophobicContact CG2-CB 4.4Å; T118-F365 WeakPolarHBondContact OG1-CB 3.4Å
119N97.5Very high97.3Very high19 Ų1930.6 Ų30.610%0.10214%0.143CC..Hα-helixtrans-64.1-35.3178-68.5-21.1000112.6C115 R116 L117 L123 F138 L139C115-N119 PolarHBondContact O-N 3.24Å; C115-N119 VanDerWaalsContact O-N 3.08Å; C115-N119 PolarHBondContact O-ND2 2.71Å; R116-N119 PolarHBondContact O-N 2.88Å; L117-N119 VanDerWaalsContact C-N 3.3Å; L117-N119 PolarHBondContact O-N 3.31Å; N119-L123 WeakPolarHBondContact O-CB 3.37Å; N119-L123 PolarHBondContact O-N 3.43Å; N119-F138 WeakPolarHBondContact OD1-CA 3.46Å; N119-L139 PolarHBondContact OD1-N 2.81Å
120Q97.4Very high97.4Very high100 Ų10028.9 Ų28.947%0.46714%0.135SC..Hα-helixtrans-69.2-45.2174.1-67.8-61.1-37.500112G39 R116 L117 T118 L122 L123 D124G39-Q120 CarbonylContact O-C 3.45Å; R116-Q120 PolarHBondContact O-N 3.2Å; L117-Q120 PolarHBondContact O-N 2.68Å; L117-Q120 VanDerWaalsContact O-N 3.1Å; T118-Q120 VanDerWaalsContact C-N 3.32Å; T118-Q120 PolarHBondContact O-N 2.72Å; Q120-L122 VanDerWaalsContact C-N 3.3Å; Q120-L122 PolarHBondContact O-N 3.33Å; Q120-L123 WeakPolarHBondContact O-CB 3.3Å; Q120-L123 PolarHBondContact O-N 2.95Å; Q120-L123 VanDerWaalsContact O-N 3.12Å; Q120-D124 PolarHBondContact O-N 3.41Å
121L98.2Very high97.4Very high0 Ų028.9 Ų28.90%014%0.135CC..Hα-helixtrans-62.2-38.3176-65.2-173.3000112.2V35 Q40 L41 L117 T118 D124 W125 F365 L368 L369V35-L121 HydrophobicContact CG1-CD2 4.15Å; Q40-L121 WeakPolarHBondContact O-CD2 3.4Å; L41-L121 HydrophobicContact CD2-CB 4.12Å; L41-L121 HydrophobicContact CD2-CD2 4.35Å; L117-L121 HydrophobicContact CG-CG 4.43Å; L117-L121 WeakPolarHBondContact O-CG 3.46Å; L117-L121 PolarHBondContact O-N 2.54Å; T118-L121 PolarHBondContact O-N 2.98Å; L121-D124 PolarHBondContact O-N 2.77Å; L121-W125 VanDerWaalsContact O-CB 3.23Å; L121-W125 WeakPolarHBondContact O-CB 3.16Å; L121-W125 PolarHBondContact O-N 2.66Å; L121-F365 HydrophobicContact CD1-CD2 3.83Å; L121-F365 HydrophobicContact CD1-CE2 3.67Å; L121-L368 HydrophobicContact CB-CD1 3.82Å; L121-L368 HydrophobicContact CD1-CB 4.37Å; L121-L369 HydrophobicContact CD1-CD2 3.89Å; L121-L369 HydrophobicContact CD1-CG 4.39Å
122L98.5Very high97.5Very high0 Ų032.1 Ų32.10%016%0.156CC..Hα-helixtrans-64.2-40.8173.5-78.2171.3000111.9T118 Q120 W125 L126 L139 L328 V336 T364 L368T118-L122 HydrophobicContact CG2-CD1 3.99Å; T118-L122 HydrophobicContact CG2-CG 4.38Å; T118-L122 WeakPolarHBondContact O-CB 3.23Å; T118-L122 VanDerWaalsContact O-CG 3.26Å; T118-L122 WeakPolarHBondContact O-CG 3.28Å; T118-L122 PolarHBondContact O-N 3.47Å; Q120-L122 VanDerWaalsContact C-N 3.3Å; Q120-L122 PolarHBondContact O-N 3.33Å; L122-W125 HydrophobicContact CD2-CE3 3.65Å; L122-W125 HydrophobicContact CD2-CZ3 3.92Å; L122-W125 WeakPolarHBondContact O-CB 3.47Å; L122-W125 PolarHBondContact O-N 2.77Å; L122-L126 VanDerWaalsContact O-CG 3.26Å; L122-L126 WeakPolarHBondContact O-CG 3.33Å; L122-L126 PolarHBondContact O-N 3.27Å; L122-L139 HydrophobicContact CD1-CB 3.79Å; L122-L139 HydrophobicContact CD1-CD1 4.16Å; L122-L328 HydrophobicContact CD2-CD1 4.12Å; L122-V336 HydrophobicContact CD1-CG1 4.25Å; L122-V336 HydrophobicContact CD1-CG2 3.75Å; L122-V336 HydrophobicContact CD2-CG2 3.88Å; L122-V336 HydrophobicContact CG-CG2 4.4Å; L122-T364 HydrophobicContact CD1-CG2 4.18Å; L122-T364 HydrophobicContact CD2-CG2 3.84Å; L122-T364 HydrophobicContact CG-CG2 4.17Å; L122-L368 HydrophobicContact CD2-CD1 3.78Å; L122-L368 HydrophobicContact CG-CD1 3.85Å
123L98.6Very high97.6Very high12 Ų1233.5 Ų33.56%0.06317%0.166CC..Hα-helixtrans-63-46.7176.9-179.859.9000111N119 Q120 W125 L126 R127 T134 C137N119-L123 WeakPolarHBondContact O-CB 3.37Å; N119-L123 PolarHBondContact O-N 3.43Å; Q120-L123 WeakPolarHBondContact O-CB 3.3Å; Q120-L123 PolarHBondContact O-N 2.95Å; Q120-L123 VanDerWaalsContact O-N 3.12Å; L123-W125 VanDerWaalsContact C-N 3.35Å; L123-L126 PolarHBondContact O-N 3.41Å; L123-R127 WeakPolarHBondContact O-CB 3.45Å; L123-R127 VanDerWaalsContact O-CG 3.29Å; L123-R127 WeakPolarHBondContact O-CG 3.29Å; L123-R127 PolarHBondContact O-N 2.88Å; L123-T134 HydrophobicContact CD1-CG2 3.7Å; L123-C137 VanDerWaalsContact CA-SG 3.58Å; L123-C137 PolarHBondContact N-SG 2.77Å; L123-C137 VanDerWaalsContact N-SG 3.38Å
124D98.3Very high97.7Very high16 Ų1630.5 Ų30.59%0.08615%0.15CC..Hα-helixtrans-60.5-43.9174.5-176.655000111.7Q40 L41 Q120 L121 L126 R127 K128Q40-D124 HydrophobicContact CB-CB 4.45Å; Q40-D124 HydrophobicContact CG-CB 4.33Å; L41-D124 WeakPolarHBondContact CB-OD2 3.33Å; L41-D124 PolarHBondContact N-OD2 3.06Å; Q120-D124 PolarHBondContact O-N 3.41Å; L121-D124 PolarHBondContact O-N 2.77Å; D124-L126 PolarHBondContact O-N 2.74Å; D124-R127 PolarHBondContact O-N 2.87Å; D124-K128 WeakPolarHBondContact O-CB 3.2Å; D124-K128 WeakPolarHBondContact O-CG 3.42Å; D124-K128 PolarHBondContact O-N 2.72Å; D124-K128 WeakPolarHBondContact OD1-CE 3.29Å; D124-K128 IonicContact OD1-NZ 3.47Å; D124-K128 PolarHBondContact OD1-NZ 3.26Å; D124-K128 WeakPolarHBondContact OD2-CD 3.21Å; D124-K128 VanDerWaalsContact OD2-CE 3.3Å; D124-K128 WeakPolarHBondContact OD2-CE 3.33Å; D124-K128 IonicContact OD2-NZ 3.42Å; D124-K128 PolarHBondContact OD2-NZ 2.95Å
125W98.5Very high97.8Very high2 Ų231.8 Ų31.81%0.00816%0.16CC..Hα-helixtrans-58.5-46.9175.3170.665000112.8L41 L121 L122 L123 K128 S129 V285 N327 L328 L368 W376L41-W125 HydrophobicContact CD1-CB 3.99Å; L121-W125 VanDerWaalsContact O-CB 3.23Å; L121-W125 WeakPolarHBondContact O-CB 3.16Å; L121-W125 PolarHBondContact O-N 2.66Å; L122-W125 HydrophobicContact CD2-CE3 3.65Å; L122-W125 HydrophobicContact CD2-CZ3 3.92Å; L122-W125 WeakPolarHBondContact O-CB 3.47Å; L122-W125 PolarHBondContact O-N 2.77Å; L123-W125 VanDerWaalsContact C-N 3.35Å; W125-K128 PolarHBondContact O-N 2.79Å; W125-S129 VanDerWaalsContact O-CB 3.23Å; W125-S129 WeakPolarHBondContact O-CB 3.49Å; W125-S129 PolarHBondContact O-N 3.38Å; W125-S129 PolarHBondContact O-OG 2.76Å; W125-V285 HydrophobicContact CD2-CG1 4.15Å; W125-V285 HydrophobicContact CE3-CG1 4.33Å; W125-V285 HydrophobicContact CH2-CB 3.58Å; W125-V285 HydrophobicContact CH2-CG1 3.46Å; W125-V285 VanDerWaalsContact CH2-CG1 3.46Å; W125-V285 HydrophobicContact CH2-CG2 3.63Å; W125-V285 HydrophobicContact CZ2-CB 3.62Å; W125-V285 HydrophobicContact CZ2-CG1 3.19Å; W125-V285 HydrophobicContact CZ2-CG2 4.2Å; W125-V285 HydrophobicContact CZ3-CB 4.39Å; W125-V285 HydrophobicContact CZ3-CG1 4.01Å; W125-V285 HydrophobicContact CZ3-CG2 4.1Å; W125-N327 HydrophobicContact CH2-CB 3.79Å; W125-N327 HydrophobicContact CZ2-CB 3.85Å; W125-L328 HydrophobicContact CD2-CD2 4.41Å; W125-L328 HydrophobicContact CH2-CD1 4.35Å; W125-L328 HydrophobicContact CH2-CD2 4.26Å; W125-L328 HydrophobicContact CH2-CG 4.12Å; W125-L328 HydrophobicContact CZ2-CD2 3.63Å; W125-L328 HydrophobicContact CZ2-CG 3.96Å; W125-L368 HydrophobicContact CB-CD2 4.23Å; W125-L368 HydrophobicContact CD2-CD2 4.48Å; W125-L368 HydrophobicContact CG-CD2 4.1Å; W125-W376 AromaticContact CD1-CD2 3.97Å; W125-W376 AromaticContact CD1-CE2 3.92Å; W125-W376 AromaticContact CE2-CH2 3.95Å; W125-W376 AromaticContact CZ2-CH2 3.81Å; W125-W376 HydrophobicContact CZ2-CH2 3.81Å; W125-W376 HydrophobicContact CZ2-CZ2 4.22Å; W125-W376 HydrophobicContact CZ2-CZ3 4.24Å; W125-W376 AromaticContact NE1-CD2 3.48Å; W125-W376 AromaticContact NE1-CE2 3.31Å; W125-W376 VanDerWaalsContact NE1-CE2 3.31Å; W125-W376 AromaticContact NE1-CE3 3.61Å; W125-W376 AromaticContact NE1-CH2 3.47Å; W125-W376 AromaticContact NE1-CZ2 3.32Å; W125-W376 VanDerWaalsContact NE1-CZ2 3.32Å; W125-W376 AromaticContact NE1-CZ3 3.6Å; W125-W376 AromaticContact NE1-NE1 3.93Å
126L98.7Very high97.9Very high0 Ų032.7 Ų32.70%017%0.165CC..Hα-helixtrans-64-41.2178-69.8171.9000111.7L122 L123 D124 S129 G130 S131 C137 V285 M291 Y320 Q322 V336 A338L122-L126 VanDerWaalsContact O-CG 3.26Å; L122-L126 WeakPolarHBondContact O-CG 3.33Å; L122-L126 PolarHBondContact O-N 3.27Å; L123-L126 PolarHBondContact O-N 3.41Å; D124-L126 PolarHBondContact O-N 2.74Å; L126-S129 PolarHBondContact O-N 3.15Å; L126-G130 PolarHBondContact O-N 2.85Å; L126-S131 PolarHBondContact O-N 3.23Å; L126-C137 HydrophobicContact CD1-CB 3.93Å; L126-V285 HydrophobicContact CD2-CG1 4.07Å; L126-V285 HydrophobicContact CD2-CG2 3.79Å; L126-M291 HydrophobicContact CB-CE 4.32Å; L126-M291 HydrophobicContact CD2-CE 3.88Å; L126-Y320 HydrophobicContact CD1-CE2 4.39Å; L126-Y320 HydrophobicContact CD2-CE2 4.27Å; L126-Q322 HydrophobicContact CD2-CG 4.4Å; L126-V336 HydrophobicContact CD1-CG1 4.17Å; L126-A338 HydrophobicContact CD1-CB 3.78Å
127R98.5Very high98Very high98 Ų9825.9 Ų25.937%0.3714%0.14SC..Hα-helixtrans-62.9-50.7176.7-73.1177.3174.6165.91.1111.4L123 D124 S129 G130 S131 T134 S135L123-R127 WeakPolarHBondContact O-CB 3.45Å; L123-R127 VanDerWaalsContact O-CG 3.29Å; L123-R127 WeakPolarHBondContact O-CG 3.29Å; L123-R127 PolarHBondContact O-N 2.88Å; D124-R127 PolarHBondContact O-N 2.87Å; R127-S129 VanDerWaalsContact C-N 3.26Å; R127-S129 PolarHBondContact O-N 2.85Å; R127-G130 PolarHBondContact O-N 3.41Å; R127-G130 VanDerWaalsContact O-N 3.16Å; R127-S131 WeakPolarHBondContact CA-O 3.1Å; R127-S131 PolarHBondContact O-N 3.2Å; R127-T134 VanDerWaalsContact CZ-O 3.3Å; R127-T134 PolarHBondContact NE-O 2.89Å; R127-T134 PolarHBondContact NH2-O 3.44Å; R127-S135 PolarHBondContact NH2-O 2.88Å
128K97.7Very high98.1Very high76 Ų7625.7 Ų25.733%0.3314%0.139SC..Hα-helixtrans-64.6-28.4177.3-72.7175.1175.4164.50112.8D124 W125 G130D124-K128 WeakPolarHBondContact O-CB 3.2Å; D124-K128 WeakPolarHBondContact O-CG 3.42Å; D124-K128 PolarHBondContact O-N 2.72Å; D124-K128 WeakPolarHBondContact OD1-CE 3.29Å; D124-K128 IonicContact OD1-NZ 3.47Å; D124-K128 PolarHBondContact OD1-NZ 3.26Å; D124-K128 WeakPolarHBondContact OD2-CD 3.21Å; D124-K128 VanDerWaalsContact OD2-CE 3.3Å; D124-K128 WeakPolarHBondContact OD2-CE 3.33Å; D124-K128 IonicContact OD2-NZ 3.42Å; D124-K128 PolarHBondContact OD2-NZ 2.95Å; W125-K128 PolarHBondContact O-N 2.79Å; K128-G130 VanDerWaalsContact C-N 3.29Å; K128-G130 PolarHBondContact O-N 2.77Å
129S97.9Very high98.2Very high6 Ų625.9 Ų25.94%0.04214%0.139CC..Hα-helixtrans-76.6-11.4176.5-60.70000114.2W125 L126 R127 M291 W376W125-S129 VanDerWaalsContact O-CB 3.23Å; W125-S129 WeakPolarHBondContact O-CB 3.49Å; W125-S129 PolarHBondContact O-N 3.38Å; W125-S129 PolarHBondContact O-OG 2.76Å; L126-S129 PolarHBondContact O-N 3.15Å; R127-S129 VanDerWaalsContact C-N 3.26Å; R127-S129 PolarHBondContact O-N 2.85Å; S129-M291 VanDerWaalsContact O-CB 3.27Å; S129-M291 WeakPolarHBondContact O-CB 3.33Å; S129-W376 PolarHBondContact OG-NE1 3.03Å
130G97.9Very high98.2Very high17 Ų1725 Ų2518%0.17513%0.134CC..THydrogen-bonded Turntrans133.87.2170.200000116.5L126 R127 K128 P132 M291 E295L126-G130 PolarHBondContact O-N 2.85Å; R127-G130 PolarHBondContact O-N 3.41Å; R127-G130 VanDerWaalsContact O-N 3.16Å; K128-G130 VanDerWaalsContact C-N 3.29Å; K128-G130 PolarHBondContact O-N 2.77Å; G130-P132 WeakPolarHBondContact O-CD 3.39Å; G130-M291 CarbonylContact O-C 3.58Å; G130-E295 WeakPolarHBondContact O-CB 3.5Å
131S98.3Very high98.2Very high0 Ų021 Ų210%012%0.118CC..  trans-119.269.2171-170.80000113.3L126 R127 S133 T134 E295L126-S131 PolarHBondContact O-N 3.23Å; R127-S131 WeakPolarHBondContact CA-O 3.1Å; R127-S131 PolarHBondContact O-N 3.2Å; S131-S133 PolarHBondContact O-N 3.4Å; S131-T134 WeakPolarHBondContact CB-OG1 3.4Å; S131-T134 WeakPolarHBondContact O-CB 3.46Å; S131-T134 PolarHBondContact O-N 3.19Å; S131-T134 VanDerWaalsContact O-N 3.1Å; S131-T134 PolarHBondContact O-OG1 3.39Å; S131-T134 PolarHBondContact OG-OG1 2.87Å; S131-E295 VanDerWaalsContact CA-OE2 3.26Å; S131-E295 WeakPolarHBondContact CA-OE2 3.37Å; S131-E295 PolarHBondContact OG-OE2 2.75Å
132P98.3Very high98.1Very high77 Ų7722.8 Ų22.850%0.513%0.126SC..THydrogen-bonded Turntrans-59.2-26.5-177.825-35.6000114G130 T134 E295G130-P132 WeakPolarHBondContact O-CD 3.39Å; P132-T134 VanDerWaalsContact C-N 3.32Å; P132-T134 PolarHBondContact O-N 3.25Å; P132-E295 WeakPolarHBondContact CD-OE2 3.46Å; P132-E295 HydrophobicContact CG-CG 4.42Å
133S98.4Very high98.1Very high40 Ų4024.8 Ų24.828%0.2814%0.143SC..THydrogen-bonded Turntrans-82-3.3178.7-71.70000114.5S131 S135 E295 F340S131-S133 PolarHBondContact O-N 3.4Å; S133-S135 PolarHBondContact O-N 2.96Å; S133-E295 WeakPolarHBondContact CB-OE1 3.39Å; S133-E295 WeakPolarHBondContact CB-OE2 3.3Å; S133-E295 PolarHBondContact N-OE2 3.13Å; S133-E295 PolarHBondContact OG-OE1 2.83Å; S133-F340 VanDerWaalsContact O-CD1 3.31Å; S133-F340 WeakPolarHBondContact O-CD1 3.23Å
134T98.6Very high98.1Very high0 Ų025 Ų250%015%0.145CC..  trans-56.2125.9173.7-65.70000109.9L123 R127 S131 P132 Y320 A338L123-T134 HydrophobicContact CD1-CG2 3.7Å; R127-T134 VanDerWaalsContact CZ-O 3.3Å; R127-T134 PolarHBondContact NE-O 2.89Å; R127-T134 PolarHBondContact NH2-O 3.44Å; S131-T134 WeakPolarHBondContact CB-OG1 3.4Å; S131-T134 WeakPolarHBondContact O-CB 3.46Å; S131-T134 PolarHBondContact O-N 3.19Å; S131-T134 VanDerWaalsContact O-N 3.1Å; S131-T134 PolarHBondContact O-OG1 3.39Å; S131-T134 PolarHBondContact OG-OG1 2.87Å; P132-T134 VanDerWaalsContact C-N 3.32Å; P132-T134 PolarHBondContact O-N 3.25Å; T134-Y320 WeakPolarHBondContact CB-OH 3.4Å; T134-Y320 HydrophobicContact CG2-CE1 4.26Å; T134-Y320 VanDerWaalsContact CG2-OH 3.22Å; T134-Y320 WeakPolarHBondContact CG2-OH 3.17Å; T134-Y320 PolarHBondContact OG1-OH 3.32Å; T134-A338 HydrophobicContact CG2-CB 4.17Å
135S97.8Very high98Very high33 Ų3324.6 Ų24.623%0.23114%0.144CC..  trans-87.3-43.1-17274.40000111.9R127 S133 G339 C341 N342R127-S135 PolarHBondContact NH2-O 2.88Å; S133-S135 PolarHBondContact O-N 2.96Å; S135-G339 PolarHBondContact N-O 3.13Å; S135-G339 PolarHBondContact OG-O 2.89Å; S135-C341 PolarHBondContact OG-N 3.36Å; S135-N342 VanDerWaalsContact CB-OD1 3.27Å; S135-N342 WeakPolarHBondContact CB-OD1 3.27Å; S135-N342 PolarHBondContact OG-OD1 2.95Å
136V98.1Very high98Very high29 Ų2929.2 Ų29.218%0.17617%0.167CC..EExtended strand (participates in β ladder)trans-154.6154.1-177.164.20000110.8A338 G339 N342 V345V136-A338 WeakPolarHBondContact O-CA 3.39Å; V136-G339 PolarHBondContact O-N 3.37Å; V136-G339 VanDerWaalsContact O-N 3.1Å; V136-N342 WeakPolarHBondContact CB-OD1 3.18Å; V136-N342 HydrophobicContact CG1-CB 4.3Å; V136-N342 WeakPolarHBondContact CG1-OD1 3.42Å; V136-V345 HydrophobicContact CG1-CB 3.44Å; V136-V345 VanDerWaalsContact CG1-CB 3.44Å; V136-V345 HydrophobicContact CG1-CG1 3.75Å; V136-V345 HydrophobicContact CG1-CG2 3.65Å; V136-V345 HydrophobicContact CG2-CG1 4.38Å
137C98.5Very high98Very high6 Ų629.2 Ų29.24%0.04117%0.167CC..EExtended strand (participates in β ladder)trans-147.9162.6168.668.50000111.2L123 L126 V336 I337 A338L123-C137 VanDerWaalsContact CA-SG 3.58Å; L123-C137 PolarHBondContact N-SG 2.77Å; L123-C137 VanDerWaalsContact N-SG 3.38Å; L126-C137 HydrophobicContact CD1-CB 3.93Å; C137-V336 HydrophobicContact CB-CG1 3.85Å; C137-I337 CarbonylContact C-O 3.4Å; C137-I337 WeakPolarHBondContact CA-O 3.38Å; C137-I337 WeakPolarHBondContact CB-O 3.35Å; C137-A338 HydrophobicContact CB-CB 3.6Å
138F98.1Very high98Very high9 Ų924.7 Ų24.74%0.03915%0.15CC..EExtended strand (participates in β ladder)trans-143.3149.4167.371.9-79.2000111.6I101 N119 V140 V336 I337 V345 V348 A349I101-F138 HydrophobicContact CG2-CD2 4.36Å; I101-F138 HydrophobicContact CG2-CE2 4.17Å; N119-F138 WeakPolarHBondContact OD1-CA 3.46Å; F138-V140 HydrophobicContact CD2-CB 4.4Å; F138-V140 HydrophobicContact CE2-CB 3.94Å; F138-V336 WeakPolarHBondContact O-CA 3.46Å; F138-I337 HydrophobicContact CD1-CB 4.27Å; F138-I337 HydrophobicContact CE1-CB 3.79Å; F138-I337 HydrophobicContact CE1-CD1 4.25Å; F138-I337 HydrophobicContact CE1-CG2 3.95Å; F138-I337 HydrophobicContact CE2-CD1 4.37Å; F138-I337 HydrophobicContact CZ-CB 4.12Å; F138-I337 HydrophobicContact CZ-CD1 3.73Å; F138-I337 HydrophobicContact CZ-CG1 4.44Å; F138-I337 PolarHBondContact N-O 3.26Å; F138-I337 PolarHBondContact O-N 3.41Å; F138-V345 HydrophobicContact CD1-CG1 3.54Å; F138-V345 HydrophobicContact CE1-CG1 3.82Å; F138-V348 HydrophobicContact CE1-CB 4.34Å; F138-V348 HydrophobicContact CE1-CG1 4.32Å; F138-V348 HydrophobicContact CZ-CB 4.42Å; F138-V348 HydrophobicContact CZ-CG1 4.05Å; F138-A349 HydrophobicContact CD1-CB 4.2Å; F138-A349 HydrophobicContact CD2-CB 4.39Å; F138-A349 HydrophobicContact CE1-CB 3.91Å; F138-A349 HydrophobicContact CE2-CB 4.1Å; F138-A349 HydrophobicContact CG-CB 4.43Å; F138-A349 HydrophobicContact CZ-CB 3.85Å
139L98.2Very high98.1Very high3 Ų321.4 Ų21.42%0.01614%0.137CC..EExtended strand (participates in β ladder)trans-79.8129.8170-176152.8000109.8T118 N119 L122 T324 A335 P360 T364T118-L139 HydrophobicContact CG2-CD1 4.35Å; N119-L139 PolarHBondContact OD1-N 2.81Å; L122-L139 HydrophobicContact CD1-CB 3.79Å; L122-L139 HydrophobicContact CD1-CD1 4.16Å; L139-T324 HydrophobicContact CD1-CG2 4.06Å; L139-A335 WeakPolarHBondContact CA-O 3.49Å; L139-P360 HydrophobicContact CD2-CB 4.24Å; L139-T364 HydrophobicContact CD1-CG2 3.87Å; L139-T364 WeakPolarHBondContact CD1-OG1 3.35Å
140V97.6Very high98.1Very high0 Ų021.7 Ų21.70%014%0.138CC..EExtended strand (participates in β ladder)trans-113.7127.7170.857.40000108.8F138 M142 S147 A335 I337 Y352F138-V140 HydrophobicContact CD2-CB 4.4Å; F138-V140 HydrophobicContact CE2-CB 3.94Å; V140-M142 HydrophobicContact CG2-CB 4.35Å; V140-M142 HydrophobicContact CG2-CE 3.5Å; V140-M142 VanDerWaalsContact CG2-CE 3.5Å; V140-M142 HydrophobicContact CG2-CG 4.15Å; V140-M142 PolarHBondContact O-N 3.49Å; V140-S147 WeakPolarHBondContact CG1-OG 3.29Å; V140-A335 HydrophobicContact CG1-CB 4.15Å; V140-A335 WeakPolarHBondContact CG1-O 3.44Å; V140-A335 PolarHBondContact N-O 2.88Å; V140-A335 PolarHBondContact O-N 3.27Å; V140-I337 HydrophobicContact CG1-CD1 3.83Å; V140-I337 HydrophobicContact CG1-CG1 4.04Å; V140-Y352 HydrophobicContact CG2-CD2 4.15Å; V140-Y352 HydrophobicContact CG2-CE2 4.21Å
141P97.5Very high98.1Very high18 Ų1820.9 Ų20.912%0.11713%0.129CC..SBendtrans-81.558.3-177.434.8-37000110.7I95 G333 A356 S357 P360I95-P141 HydrophobicContact CD1-CG 4.29Å; P141-G333 CarbonylContact C-O 3.56Å; P141-G333 WeakPolarHBondContact CA-O 3.28Å; P141-A356 HydrophobicContact CG-CB 3.3Å; P141-S357 WeakPolarHBondContact CB-O 3.48Å; P141-S357 WeakPolarHBondContact CG-O 3.5Å; P141-P360 HydrophobicContact CB-CB 4.22Å; P141-P360 HydrophobicContact CB-CG 3.65Å
142M97.3Very high98.1Very high36 Ų3620.9 Ų20.918%0.17713%0.129CC..SBendtrans-139.1151.8171-59.7-170.8-67.700108.9V140 M146 S147 L150 G333 G334 A335 Y352V140-M142 HydrophobicContact CG2-CB 4.35Å; V140-M142 HydrophobicContact CG2-CE 3.5Å; V140-M142 VanDerWaalsContact CG2-CE 3.5Å; V140-M142 HydrophobicContact CG2-CG 4.15Å; V140-M142 PolarHBondContact O-N 3.49Å; M142-M146 HydrophobicContact CB-CB 3.88Å; M142-M146 HydrophobicContact CE-CB 4.33Å; M142-M146 HydrophobicContact CG-CB 4.47Å; M142-M146 HydrophobicContact SD-CB 3.91Å; M142-M146 HydrophobicContact SD-CE 4.47Å; M142-S147 PolarHBondContact O-OG 2.9Å; M142-L150 HydrophobicContact CE-CB 4.41Å; M142-L150 HydrophobicContact CE-CD2 4.2Å; M142-G333 CarbonylContact C-O 3.52Å; M142-G333 WeakPolarHBondContact CA-O 3.26Å; M142-G333 PolarHBondContact N-O 3.07Å; M142-G334 CarbonylContact O-C 3.52Å; M142-G334 VanDerWaalsContact O-C 3.31Å; M142-A335 WeakPolarHBondContact O-CB 2.99Å; M142-A335 PolarHBondContact O-N 2.82Å; M142-Y352 HydrophobicContact CE-CD2 3.91Å; M142-Y352 HydrophobicContact CE-CE2 3.75Å; M142-Y352 HydrophobicContact CG-CE2 4.2Å; M142-Y352 HydrophobicContact SD-CD2 4.48Å; M142-Y352 HydrophobicContact SD-CE2 3.77Å
143A97.3Very high98.1Very high43 Ų4320.3 Ų20.336%0.35512%0.122SC..  trans-60.2155172.300000111.5G145 M146 S147A143-G145 PolarHBondContact O-N 2.87Å; A143-M146 PolarHBondContact O-N 3.03Å; A143-S147 PolarHBondContact O-N 3.43Å; A143-S147 VanDerWaalsContact O-N 3.15Å; A143-S147 PolarHBondContact O-OG 3.39Å
144T97.9Very high98.1Very high17 Ų1718.4 Ų18.410%0.10411%0.108CC..Hα-helixtrans-47.8-40.1-176-51.50000113.8S147 L148 A282 V321 S323T144-S147 PolarHBondContact O-N 3.3Å; T144-L148 HydrophobicContact CG2-CD1 3.93Å; T144-L148 HydrophobicContact CG2-CG 4.33Å; T144-L148 WeakPolarHBondContact O-CB 3.37Å; T144-L148 WeakPolarHBondContact O-CD1 3.44Å; T144-L148 VanDerWaalsContact O-CG 3.24Å; T144-L148 WeakPolarHBondContact O-CG 3.29Å; T144-L148 PolarHBondContact O-N 3.14Å; T144-A282 HydrophobicContact CG2-CB 4.24Å; T144-V321 HydrophobicContact CG2-CG1 3.99Å; T144-S323 WeakPolarHBondContact OG1-CA 3.33Å; T144-S323 WeakPolarHBondContact OG1-CB 3.41Å; T144-S323 PolarHBondContact OG1-N 2.63Å
145G97.8Very high98Very high7 Ų718.4 Ų18.47%0.07211%0.108CC..Hα-helixtrans-59.2-46.9177.900000114A143 S147 L148 T149 S175 C179A143-G145 PolarHBondContact O-N 2.87Å; G145-S147 VanDerWaalsContact C-N 3.33Å; G145-L148 WeakPolarHBondContact O-CB 3.33Å; G145-L148 PolarHBondContact O-N 2.75Å; G145-T149 PolarHBondContact O-N 3.25Å; G145-T149 PolarHBondContact O-OG1 3.26Å; G145-S175 WeakPolarHBondContact CA-OG 3.43Å; G145-C179 WeakPolarHBondContact O-CB 3.46Å
146M98.2Very high98Very high99 Ų9919.7 Ų19.749%0.48811%0.11SC..Hα-helixtrans-71-32.5177.9-77-57.3-58.200112M142 A143 L148 T149 L150M142-M146 HydrophobicContact CB-CB 3.88Å; M142-M146 HydrophobicContact CE-CB 4.33Å; M142-M146 HydrophobicContact CG-CB 4.47Å; M142-M146 HydrophobicContact SD-CB 3.91Å; M142-M146 HydrophobicContact SD-CE 4.47Å; A143-M146 PolarHBondContact O-N 3.03Å; M146-L148 VanDerWaalsContact C-N 3.34Å; M146-T149 WeakPolarHBondContact O-CB 3.28Å; M146-T149 PolarHBondContact O-N 2.93Å; M146-L150 PolarHBondContact O-N 3.5Å
147S98.4Very high97.9Very high0 Ų026.5 Ų26.50%013%0.132CC..Hα-helixtrans-66.6-38174.3-52.10000111.5V140 M142 A143 T144 G145 L150 C151 A335V140-S147 WeakPolarHBondContact CG1-OG 3.29Å; M142-S147 PolarHBondContact O-OG 2.9Å; A143-S147 PolarHBondContact O-N 3.43Å; A143-S147 VanDerWaalsContact O-N 3.15Å; A143-S147 PolarHBondContact O-OG 3.39Å; T144-S147 PolarHBondContact O-N 3.3Å; G145-S147 VanDerWaalsContact C-N 3.33Å; S147-L150 WeakPolarHBondContact O-CB 3.48Å; S147-L150 PolarHBondContact O-N 2.88Å; S147-C151 PolarHBondContact O-N 3.47Å; S147-C151 PolarHBondContact O-SG 2.8Å; S147-C151 VanDerWaalsContact O-SG 3.33Å; S147-A335 WeakPolarHBondContact OG-CB 3.43Å
148L98.6Very high97.7Very high2 Ų228.8 Ų28.81%0.0114%0.14CC..Hα-helixtrans-64.6-40.8169.9-72160.7000111.8T144 G145 M146 L150 C151 L152 C179 F249 L278 N280 V321T144-L148 HydrophobicContact CG2-CD1 3.93Å; T144-L148 HydrophobicContact CG2-CG 4.33Å; T144-L148 WeakPolarHBondContact O-CB 3.37Å; T144-L148 WeakPolarHBondContact O-CD1 3.44Å; T144-L148 VanDerWaalsContact O-CG 3.24Å; T144-L148 WeakPolarHBondContact O-CG 3.29Å; T144-L148 PolarHBondContact O-N 3.14Å; G145-L148 WeakPolarHBondContact O-CB 3.33Å; G145-L148 PolarHBondContact O-N 2.75Å; M146-L148 VanDerWaalsContact C-N 3.34Å; L148-L150 VanDerWaalsContact C-N 3.31Å; L148-L150 PolarHBondContact O-N 3.04Å; L148-C151 WeakPolarHBondContact O-CB 3.34Å; L148-C151 PolarHBondContact O-N 3.18Å; L148-L152 WeakPolarHBondContact O-CB 3.42Å; L148-L152 VanDerWaalsContact O-CG 3.3Å; L148-L152 WeakPolarHBondContact O-CG 3.44Å; L148-L152 PolarHBondContact O-N 3.05Å; L148-C179 HydrophobicContact CB-CB 4.09Å; L148-F249 HydrophobicContact CD1-CE2 4.4Å; L148-F249 HydrophobicContact CD1-CZ 3.79Å; L148-F249 HydrophobicContact CD2-CE2 3.67Å; L148-F249 HydrophobicContact CD2-CZ 3.8Å; L148-F249 HydrophobicContact CG-CZ 4.28Å; L148-L278 HydrophobicContact CD2-CD1 4.14Å; L148-L278 HydrophobicContact CD2-CD2 3.89Å; L148-L278 HydrophobicContact CD2-CG 4Å; L148-N280 HydrophobicContact CD1-CB 4.42Å; L148-V321 HydrophobicContact CD2-CB 3.94Å; L148-V321 HydrophobicContact CD2-CG2 3.73Å; L148-V321 HydrophobicContact CG-CB 4.25Å; L148-V321 HydrophobicContact CG-CG1 4.49Å; L148-V321 HydrophobicContact CG-CG2 4.28Å
149T98.6Very high97.5Very high8 Ų829.9 Ų29.95%0.04914%0.144CC..Hα-helixtrans-57.1-44.6171.9-65.20000111.4G145 M146 C151 L152 L153 C179 A182 A183G145-T149 PolarHBondContact O-N 3.25Å; G145-T149 PolarHBondContact O-OG1 3.26Å; M146-T149 WeakPolarHBondContact O-CB 3.28Å; M146-T149 PolarHBondContact O-N 2.93Å; T149-C151 PolarHBondContact O-N 2.92Å; T149-L152 PolarHBondContact O-N 2.89Å; T149-L153 HydrophobicContact CG2-CD1 4.13Å; T149-L153 HydrophobicContact CG2-CG 4.42Å; T149-L153 VanDerWaalsContact O-CG 3.32Å; T149-L153 WeakPolarHBondContact O-CG 3.47Å; T149-L153 PolarHBondContact O-N 3.39Å; T149-C179 WeakPolarHBondContact OG1-CA 3.42Å; T149-C179 VanDerWaalsContact OG1-CB 3.27Å; T149-C179 WeakPolarHBondContact OG1-CB 3.41Å; T149-C179 PolarHBondContact OG1-O 3.13Å; T149-A182 HydrophobicContact CG2-CB 4.22Å; T149-A183 HydrophobicContact CG2-CB 4.11Å
150L98.1Very high97.3Very high12 Ų1232 Ų326%0.06316%0.158CC..Hα-helixtrans-60.9-43.7176.7-172.965.6000111.8M142 M146 S147 L148 L153 A154 I337 V348 L351 Y352M142-L150 HydrophobicContact CE-CB 4.41Å; M142-L150 HydrophobicContact CE-CD2 4.2Å; M146-L150 PolarHBondContact O-N 3.5Å; S147-L150 WeakPolarHBondContact O-CB 3.48Å; S147-L150 PolarHBondContact O-N 2.88Å; L148-L150 VanDerWaalsContact C-N 3.31Å; L148-L150 PolarHBondContact O-N 3.04Å; L150-L153 PolarHBondContact O-N 2.83Å; L150-A154 PolarHBondContact O-N 3.2Å; L150-I337 HydrophobicContact CD2-CD1 4.23Å; L150-V348 HydrophobicContact CD2-CG1 3.97Å; L150-V348 HydrophobicContact CG-CG1 3.83Å; L150-L351 HydrophobicContact CD1-CB 4.01Å; L150-L351 HydrophobicContact CD1-CD2 4.03Å; L150-L351 HydrophobicContact CD1-CG 3.89Å; L150-Y352 HydrophobicContact CD2-CD2 4.32Å
151C98.6Very high97.1Very high0 Ų040.4 Ų40.40%020%0.202CC..Hα-helixtrans-60.3-44.6173.8-66.90000112.4S147 L148 T149 A154 M155 L278 L319S147-C151 PolarHBondContact O-N 3.47Å; S147-C151 PolarHBondContact O-SG 2.8Å; S147-C151 VanDerWaalsContact O-SG 3.33Å; L148-C151 WeakPolarHBondContact O-CB 3.34Å; L148-C151 PolarHBondContact O-N 3.18Å; T149-C151 PolarHBondContact O-N 2.92Å; C151-A154 PolarHBondContact O-N 3.12Å; C151-M155 WeakPolarHBondContact O-CB 3.35Å; C151-M155 WeakPolarHBondContact O-CG 3.5Å; C151-M155 PolarHBondContact O-N 3.07Å; C151-L278 HydrophobicContact CB-CD1 3.73Å; C151-L278 HydrophobicContact CB-CD2 4.25Å; C151-L319 HydrophobicContact CB-CD1 3.98Å
152L98.7Very high96.9Very high0 Ų044.3 Ų44.30%021%0.214CC..Hα-helixtrans-63.4-42178.9-73.5168.7000112L148 T149 A154 M155 K156 V166 M180 A183 L185 C247 L278L148-L152 WeakPolarHBondContact O-CB 3.42Å; L148-L152 VanDerWaalsContact O-CG 3.3Å; L148-L152 WeakPolarHBondContact O-CG 3.44Å; L148-L152 PolarHBondContact O-N 3.05Å; T149-L152 PolarHBondContact O-N 2.89Å; L152-A154 VanDerWaalsContact C-N 3.32Å; L152-A154 PolarHBondContact O-N 3.36Å; L152-M155 PolarHBondContact O-N 3.33Å; L152-K156 WeakPolarHBondContact O-CB 3.48Å; L152-K156 PolarHBondContact O-N 2.93Å; L152-V166 HydrophobicContact CD2-CG1 4.42Å; L152-V166 HydrophobicContact CD2-CG2 4.03Å; L152-M180 HydrophobicContact CD1-CB 4.32Å; L152-M180 HydrophobicContact CD1-CG 3.79Å; L152-A183 HydrophobicContact CB-CB 3.93Å; L152-A183 HydrophobicContact CD1-CB 4.41Å; L152-L185 HydrophobicContact CB-CD1 3.89Å; L152-L185 HydrophobicContact CD2-CD1 4.06Å; L152-L185 HydrophobicContact CG-CD1 4.39Å; L152-C247 VanDerWaalsContact CD2-SG 3.57Å; L152-L278 HydrophobicContact CD1-CD2 4.47Å; L152-L278 HydrophobicContact CD2-CD2 3.64Å; L152-L278 HydrophobicContact CG-CD2 3.69Å
153L98Very high96.9Very high64 Ų6442.6 Ų42.634%0.33521%0.206SC..Hα-helixtrans-62.3-39.7174.8-69.6171.1000111.7T149 L150 R157 A183 L351T149-L153 HydrophobicContact CG2-CD1 4.13Å; T149-L153 HydrophobicContact CG2-CG 4.42Å; T149-L153 VanDerWaalsContact O-CG 3.32Å; T149-L153 WeakPolarHBondContact O-CG 3.47Å; T149-L153 PolarHBondContact O-N 3.39Å; L150-L153 PolarHBondContact O-N 2.83Å; L153-R157 WeakPolarHBondContact O-CG 3.44Å; L153-R157 PolarHBondContact O-N 2.93Å; L153-A183 HydrophobicContact CD2-CB 4.14Å; L153-A183 HydrophobicContact CG-CB 4.25Å; L153-L351 HydrophobicContact CB-CD2 3.75Å
154A97.4Very high96.9Very high0 Ų043 Ų430%020%0.202CC..Hα-helixtrans-67.7-47.7176.500000111.9L150 C151 L152 K156 R157 R158 F347 V348 L351L150-A154 PolarHBondContact O-N 3.2Å; C151-A154 PolarHBondContact O-N 3.12Å; L152-A154 VanDerWaalsContact C-N 3.32Å; L152-A154 PolarHBondContact O-N 3.36Å; A154-K156 VanDerWaalsContact C-N 3.34Å; A154-K156 PolarHBondContact O-N 3.02Å; A154-R157 PolarHBondContact O-N 2.8Å; A154-R158 PolarHBondContact O-N 3.29Å; A154-F347 HydrophobicContact CB-CD1 3.94Å; A154-F347 HydrophobicContact CB-CE1 4.05Å; A154-V348 HydrophobicContact CB-CB 4.3Å; A154-V348 HydrophobicContact CB-CG2 3.55Å; A154-L351 HydrophobicContact CB-CD2 3.9Å
155M97.4Very high96.9Very high0 Ų042.2 Ų42.20%020%0.197CC..Hα-helixtrans-62.2-39.8177.1-73.5-179165.700111.8C151 L152 R157 R158 R159 V246 C247 H277 L278 D317 L319C151-M155 WeakPolarHBondContact O-CB 3.35Å; C151-M155 WeakPolarHBondContact O-CG 3.5Å; C151-M155 PolarHBondContact O-N 3.07Å; L152-M155 PolarHBondContact O-N 3.33Å; M155-R157 VanDerWaalsContact C-N 3.3Å; M155-R157 PolarHBondContact O-N 3.38Å; M155-R158 CarbonylContact O-C 3.31Å; M155-R158 WeakPolarHBondContact O-CA 3.43Å; M155-R158 PolarHBondContact O-N 2.9Å; M155-R159 WeakPolarHBondContact O-CG 3.09Å; M155-R159 PolarHBondContact O-N 3.24Å; M155-V246 HydrophobicContact CB-CG1 3.9Å; M155-C247 HydrophobicContact SD-CB 4.02Å; M155-H277 WeakPolarHBondContact CE-O 3.39Å; M155-L278 HydrophobicContact CE-CB 4.23Å; M155-L278 HydrophobicContact CE-CD1 4.34Å; M155-L278 HydrophobicContact SD-CB 4.02Å; M155-D317 HydrophobicContact CE-CB 4.34Å; M155-L319 HydrophobicContact CE-CB 3.78Å; M155-L319 HydrophobicContact CE-CD1 3.9Å; M155-L319 HydrophobicContact CE-CG 3.78Å
156K97.1Very high96.9Very high60 Ų6041.9 Ų41.926%0.26119%0.194SC..Hα-helixtrans-56.2-43.7175.4-172.8-175.1-165.3162.10111.8L152 A154 R158 R159 A163 N164 L185 V246L152-K156 WeakPolarHBondContact O-CB 3.48Å; L152-K156 PolarHBondContact O-N 2.93Å; A154-K156 VanDerWaalsContact C-N 3.34Å; A154-K156 PolarHBondContact O-N 3.02Å; K156-R158 PolarHBondContact O-N 3.03Å; K156-R159 PolarHBondContact O-N 3.35Å; K156-R159 VanDerWaalsContact O-N 3.16Å; K156-A163 WeakPolarHBondContact CE-O 3.39Å; K156-N164 WeakPolarHBondContact CE-OD1 3.43Å; K156-N164 PolarHBondContact NZ-OD1 3.23Å; K156-L185 HydrophobicContact CD-CD2 3.71Å; K156-L185 HydrophobicContact CG-CD2 4.19Å; K156-V246 HydrophobicContact CB-CG1 4.25Å; K156-V246 HydrophobicContact CB-CG2 4.3Å; K156-V246 HydrophobicContact CG-CG2 4.22Å
157R95.9Very high97Very high173 Ų17337.1 Ų37.165%0.65317%0.171SC*.Hα-helixtrans-67.8-14.3178.4-70.1-179.3-178.8-163.82113.9L153 A154 M155 F347L153-R157 WeakPolarHBondContact O-CG 3.44Å; L153-R157 PolarHBondContact O-N 2.93Å; A154-R157 PolarHBondContact O-N 2.8Å; M155-R157 VanDerWaalsContact C-N 3.3Å; M155-R157 PolarHBondContact O-N 3.38Å; R157-F347 HydrophobicContact CB-CE1 4.1Å; R157-F347 HydrophobicContact CB-CZ 4Å
158R94.3Very high97Very high53 Ų5337.2 Ų37.220%0.217%0.171CC..THydrogen-bonded Turntrans-10610.8178.4-67.6178.961.685.7-3.5111.7A154 M155 K156 Q314 D317 F347A154-R158 PolarHBondContact O-N 3.29Å; M155-R158 CarbonylContact O-C 3.31Å; M155-R158 WeakPolarHBondContact O-CA 3.43Å; M155-R158 PolarHBondContact O-N 2.9Å; K156-R158 PolarHBondContact O-N 3.03Å; R158-Q314 VanDerWaalsContact O-CD 3.24Å; R158-Q314 PolarHBondContact O-NE2 2.85Å; R158-Q314 PolarHBondContact O-OE1 2.97Å; R158-Q314 VanDerWaalsContact O-OE1 3.1Å; R158-D317 WeakPolarHBondContact CD-OD2 3.44Å; R158-D317 IonicContact CZ-OD1 3.87Å; R158-D317 IonicContact CZ-OD2 3.75Å; R158-D317 IonicContact NE-OD1 3.14Å; R158-D317 PolarHBondContact NE-OD1 3.44Å; R158-D317 VanDerWaalsContact NE-OD1 3.17Å; R158-D317 IonicContact NE-OD2 2.87Å; R158-D317 PolarHBondContact NE-OD2 2.99Å; R158-D317 IonicContact NH2-OD1 2.93Å; R158-D317 PolarHBondContact NH2-OD1 3.31Å; R158-D317 IonicContact NH2-OD2 3.77Å; R158-F347 HydrophobicContact CG-CD1 4.39Å; R158-F347 HydrophobicContact CG-CE1 4.1Å
159R94.9Very high97Very high32 Ų3237.2 Ų37.212%0.12117%0.171CC..SBendtrans-116.7164.8174.7-69.5-74.1-62138.61.5108.6M155 K156 A163 S242 D243 I245 G274M155-R159 WeakPolarHBondContact O-CG 3.09Å; M155-R159 PolarHBondContact O-N 3.24Å; K156-R159 PolarHBondContact O-N 3.35Å; K156-R159 VanDerWaalsContact O-N 3.16Å; R159-A163 HydrophobicContact CB-CB 3.62Å; R159-S242 PolarHBondContact NH2-O 2.94Å; R159-D243 VanDerWaalsContact NH2-CA 3.28Å; R159-D243 PolarHBondContact NH2-O 3.02Å; R159-I245 VanDerWaalsContact CZ-O 3.22Å; R159-I245 PolarHBondContact NE-O 2.85Å; R159-I245 PolarHBondContact NH2-O 3.18Å; R159-G274 PolarHBondContact NH1-O 2.99Å
160P94Very high96.9Very high48 Ų4836.9 Ų36.931%0.31217%0.169SC..  trans-49.3145.6172.8-28.336.5000111R162 A163 D243P160-R162 HydrophobicContact CB-CG 4.12Å; P160-R162 PolarHBondContact O-N 2.92Å; P160-A163 WeakPolarHBondContact O-CB 3.38Å; P160-A163 PolarHBondContact O-N 3.26Å; P160-D243 HydrophobicContact CG-CB 4.25Å
161L92.4Very high96.9Very high177 Ų17736.5 Ų36.593%0.92717%0.167SC*.THydrogen-bonded Turntrans-55.8-26.6-174.3-171.966.2000113.4A163L161-A163 VanDerWaalsContact C-N 3.31Å
162R93.4Very high96.8Very high99 Ų9936.7 Ų36.737%0.37417%0.168SC..THydrogen-bonded Turntrans-73.1-15.9176.366.2-177.7-176.8133.1-17.8114.7P160 N164 T241 D243 D244P160-R162 HydrophobicContact CB-CG 4.12Å; P160-R162 PolarHBondContact O-N 2.92Å; R162-N164 PolarHBondContact O-N 3.07Å; R162-N164 PolarHBondContact O-ND2 3.01Å; R162-T241 PolarHBondContact NH2-OG1 3.41Å; R162-D243 IonicContact CZ-OD2 3.93Å; R162-D243 IonicContact NH2-OD2 3.69Å; R162-D243 PolarHBondContact NH2-OD2 2.98Å; R162-D244 WeakPolarHBondContact CD-OD1 3.46Å; R162-D244 WeakPolarHBondContact CG-OD1 3.24Å; R162-D244 IonicContact CZ-OD1 3.84Å; R162-D244 IonicContact NE-OD1 3.14Å; R162-D244 PolarHBondContact NE-OD1 3.09Å; R162-D244 VanDerWaalsContact NH1-CG 3.32Å; R162-D244 IonicContact NH1-OD1 2.79Å; R162-D244 PolarHBondContact NH1-OD1 3.05Å; R162-D244 IonicContact NH1-OD2 2.9Å; R162-D244 PolarHBondContact NH1-OD2 3.03Å
163A97Very high96.7Very high0 Ų039.9 Ų39.90%018%0.183CC..  trans-64.8115.4-176.200000111.7K156 R159 P160 L161 D243 D244 V246K156-A163 WeakPolarHBondContact CE-O 3.39Å; R159-A163 HydrophobicContact CB-CB 3.62Å; P160-A163 WeakPolarHBondContact O-CB 3.38Å; P160-A163 PolarHBondContact O-N 3.26Å; L161-A163 VanDerWaalsContact C-N 3.31Å; A163-D243 WeakPolarHBondContact CB-O 3.45Å; A163-D244 CarbonylContact C-O 3.37Å; A163-D244 WeakPolarHBondContact CA-O 3.45Å; A163-V246 HydrophobicContact CB-CG2 3.9Å
164N97.4Very high96.6Very high51 Ų5140.9 Ų40.927%0.27318%0.184SC..  trans-137.5-15-177.7-73.8-50.3000113.6K156 R162 I186 D244K156-N164 WeakPolarHBondContact CE-OD1 3.43Å; K156-N164 PolarHBondContact NZ-OD1 3.23Å; R162-N164 PolarHBondContact O-N 3.07Å; R162-N164 PolarHBondContact O-ND2 3.01Å; N164-I186 HydrophobicContact CB-CD1 4.46Å; N164-I186 PolarHBondContact O-N 3.21Å; N164-D244 PolarHBondContact N-O 2.95Å
165F98.6Very high96.5Very high1 Ų143.2 Ų43.20%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-86.5147.8179.9-60.1-63.6000112.8I186 I188 P215 L219 I232 F236 D244 I245 V246F165-I186 CarbonylContact C-O 3.13Å; F165-I186 WeakPolarHBondContact CA-O 3.01Å; F165-I186 HydrophobicContact CD1-CB 3.73Å; F165-I186 HydrophobicContact CD1-CD1 4.33Å; F165-I186 HydrophobicContact CD1-CG2 3.71Å; F165-I186 HydrophobicContact CE1-CB 4.06Å; F165-I186 HydrophobicContact CE1-CD1 3.9Å; F165-I186 HydrophobicContact CE1-CG2 3.81Å; F165-I188 HydrophobicContact CB-CD1 3.82Å; F165-I188 HydrophobicContact CB-CG1 4.27Å; F165-I188 HydrophobicContact CD1-CD1 3.6Å; F165-I188 HydrophobicContact CD1-CG1 3.93Å; F165-I188 HydrophobicContact CD2-CD1 4.47Å; F165-I188 HydrophobicContact CE1-CD1 4.3Å; F165-I188 HydrophobicContact CG-CD1 3.71Å; F165-I188 HydrophobicContact CG-CG1 4.35Å; F165-P215 HydrophobicContact CB-CB 4.47Å; F165-P215 HydrophobicContact CD2-CB 3.79Å; F165-P215 HydrophobicContact CD2-CG 3.74Å; F165-P215 HydrophobicContact CE2-CB 4.26Å; F165-P215 HydrophobicContact CE2-CG 4.07Å; F165-P215 HydrophobicContact CG-CB 4.18Å; F165-L219 HydrophobicContact CE1-CD2 4.03Å; F165-I232 HydrophobicContact CE1-CD1 4.23Å; F165-I232 HydrophobicContact CZ-CD1 3.89Å; F165-F236 AromaticContact CE2-CE1 3.52Å; F165-F236 HydrophobicContact CE2-CE1 3.52Å; F165-F236 AromaticContact CE2-CZ 3.67Å; F165-F236 HydrophobicContact CE2-CZ 3.67Å; F165-F236 AromaticContact CZ-CE1 3.56Å; F165-F236 HydrophobicContact CZ-CE1 3.56Å; F165-F236 AromaticContact CZ-CZ 3.74Å; F165-F236 HydrophobicContact CZ-CZ 3.74Å; F165-D244 HydrophobicContact CD2-CB 3.65Å; F165-D244 WeakPolarHBondContact CD2-O 3.23Å; F165-D244 HydrophobicContact CE2-CB 3.84Å; F165-D244 PolarHBondContact N-O 3.15Å; F165-I245 HydrophobicContact CB-CG1 4.39Å; F165-I245 CarbonylContact O-C 3.34Å; F165-V246 PolarHBondContact O-N 3.29Å
166V98.8Very high96.1Very high0 Ų043.3 Ų43.30%020%0.201CC..EExtended strand (participates in β ladder)trans-125.7113.5168.1179.60000108.3L152 W168 M180 L185 I186 I188 V246 F249L152-V166 HydrophobicContact CD2-CG1 4.42Å; L152-V166 HydrophobicContact CD2-CG2 4.03Å; V166-W168 PolarHBondContact O-N 3.28Å; V166-M180 HydrophobicContact CB-CG 4.25Å; V166-M180 HydrophobicContact CB-SD 3.65Å; V166-M180 HydrophobicContact CG1-CG 4.08Å; V166-M180 HydrophobicContact CG1-SD 3.4Å; V166-M180 WeakPolarHBondContact CG1-SD 3.06Å; V166-M180 HydrophobicContact CG2-CG 4.39Å; V166-M180 HydrophobicContact CG2-SD 4.41Å; V166-L185 HydrophobicContact CG2-CB 3.97Å; V166-L185 HydrophobicContact CG2-CD1 3.57Å; V166-L185 HydrophobicContact CG2-CG 4.34Å; V166-I186 PolarHBondContact N-O 3.09Å; V166-I188 PolarHBondContact O-N 2.79Å; V166-V246 HydrophobicContact CG2-CB 4.34Å; V166-F249 HydrophobicContact CG1-CB 3.56Å; V166-F249 HydrophobicContact CG1-CD1 4.33Å; V166-F249 HydrophobicContact CG1-CG 4.39Å
167L98.8Very high96.1Very high0 Ų040.5 Ų40.50%019%0.189CC..EExtended strand (participates in β ladder)trans-75.6112.8175-57.4-168.9000108.6I188 L208 A211 L212 P215 I245 C247 I248 F249L167-I188 HydrophobicContact CD2-CB 3.78Å; L167-I188 HydrophobicContact CD2-CD1 3.76Å; L167-I188 HydrophobicContact CD2-CG1 4.21Å; L167-I188 HydrophobicContact CD2-CG2 4.02Å; L167-L208 HydrophobicContact CB-CD2 4.16Å; L167-L208 HydrophobicContact CD1-CD2 4.33Å; L167-A211 HydrophobicContact CD1-CB 3.93Å; L167-A211 HydrophobicContact CD2-CB 3.88Å; L167-L212 HydrophobicContact CD1-CD2 3.77Å; L167-L212 HydrophobicContact CD1-CG 3.68Å; L167-P215 HydrophobicContact CD2-CB 4.48Å; L167-I245 HydrophobicContact CD1-CD1 3.87Å; L167-I245 HydrophobicContact CD2-CD1 4.32Å; L167-I245 HydrophobicContact CG-CD1 4.07Å; L167-I245 HydrophobicContact CG-CG2 3.99Å; L167-C247 PolarHBondContact N-O 3.1Å; L167-C247 VanDerWaalsContact N-O 3.13Å; L167-I248 HydrophobicContact CB-CG1 4.46Å; L167-I248 HydrophobicContact CD1-CG1 4.46Å; L167-I248 CarbonylContact O-C 3.05Å; L167-I248 WeakPolarHBondContact O-CA 3.2Å; L167-F249 PolarHBondContact O-N 2.89Å
168W98.7Very high96.2Very high2 Ų238.5 Ų38.51%0.00819%0.185CC..EExtended strand (participates in β ladder)trans-116.3114.2-170175.562.5000111.1V166 R170 I171 F177 M180 I188 P189 I190 F249 F484V166-W168 PolarHBondContact O-N 3.28Å; W168-R170 HydrophobicContact CH2-CG 4.48Å; W168-R170 HydrophobicContact CZ3-CB 4.41Å; W168-R170 HydrophobicContact CZ3-CG 4.26Å; W168-R170 PolarHBondContact O-N 3.45Å; W168-R170 VanDerWaalsContact O-N 3.09Å; W168-I171 WeakPolarHBondContact CH2-O 3.25Å; W168-I171 HydrophobicContact CZ2-CB 4.4Å; W168-I171 HydrophobicContact CZ2-CG2 3.55Å; W168-I171 WeakPolarHBondContact CZ2-O 3.3Å; W168-F177 HydrophobicContact CD2-CD2 4.33Å; W168-F177 AromaticContact CE3-CD2 3.78Å; W168-F177 HydrophobicContact CE3-CD2 3.78Å; W168-F177 HydrophobicContact CE3-CE2 4.13Å; W168-F177 HydrophobicContact CH2-CB 4.31Å; W168-F177 AromaticContact CH2-CD2 3.86Å; W168-F177 HydrophobicContact CH2-CD2 3.86Å; W168-F177 HydrophobicContact CZ2-CB 4.44Å; W168-F177 HydrophobicContact CZ2-CD2 4.39Å; W168-F177 AromaticContact CZ3-CD2 3.54Å; W168-F177 HydrophobicContact CZ3-CD2 3.54Å; W168-F177 HydrophobicContact CZ3-CE2 4.06Å; W168-M180 HydrophobicContact CB-CE 3.86Å; W168-M180 HydrophobicContact CB-SD 3.93Å; W168-M180 HydrophobicContact CD2-CE 3.81Å; W168-M180 HydrophobicContact CE3-CE 4.35Å; W168-M180 HydrophobicContact CG-CE 3.58Å; W168-M180 HydrophobicContact CG-SD 4.18Å; W168-I188 PolarHBondContact N-O 3.42Å; W168-P189 HydrophobicContact CE3-CB 3.92Å; W168-P189 HydrophobicContact CE3-CG 4.24Å; W168-P189 HydrophobicContact CZ3-CB 4.21Å; W168-I190 PolarHBondContact O-N 3.42Å; W168-F249 AromaticContact CD1-CD1 3.38Å; W168-F249 AromaticContact CD1-CE1 3.93Å; W168-F249 AromaticContact CD1-CG 3.87Å; W168-F249 HydrophobicContact CG-CD1 4.28Å; W168-F484 HydrophobicContact CZ3-CE1 4.14Å; W168-F484 HydrophobicContact CZ3-CZ 4.19Å
169S98.3Very high96.4Very high2 Ų236.1 Ų36.11%0.01418%0.177CC..EExtended strand (participates in β ladder)trans-65.7109.7174.1179.30000109I171 F249 R258 D261S169-I171 PolarHBondContact O-N 3.33Å; S169-F249 PolarHBondContact N-O 3.43Å; S169-F249 VanDerWaalsContact N-O 3.11Å; S169-R258 PolarHBondContact O-NH2 2.94Å; S169-R258 PolarHBondContact OG-NH2 3.5Å; S169-D261 WeakPolarHBondContact CB-OD1 3.26Å; S169-D261 WeakPolarHBondContact CB-OD2 3.39Å; S169-D261 PolarHBondContact OG-OD1 3.23Å; S169-D261 PolarHBondContact OG-OD2 3.1Å
170R97.8Very high96.6Very high1 Ų134.6 Ų34.60%0.00417%0.171CC..  trans-50.3131.1-166.8178.4176.3172.7178.1-7.4111.7W168 D172 I190 E191 R258 D485W168-R170 HydrophobicContact CH2-CG 4.48Å; W168-R170 HydrophobicContact CZ3-CB 4.41Å; W168-R170 HydrophobicContact CZ3-CG 4.26Å; W168-R170 PolarHBondContact O-N 3.45Å; W168-R170 VanDerWaalsContact O-N 3.09Å; R170-D172 IonicContact CZ-OD1 2.66Å; R170-D172 IonicContact NE-OD1 3.3Å; R170-D172 PolarHBondContact NE-OD1 2.96Å; R170-D172 IonicContact NE-OD2 2.69Å; R170-D172 IonicContact NH2-OD1 2.72Å; R170-D172 PolarHBondContact NH2-OD1 2.97Å; R170-D172 IonicContact NH2-OD2 3.82Å; R170-D172 PolarHBondContact NH2-OD2 3.37Å; R170-I190 VanDerWaalsContact CB-O 3.3Å; R170-I190 WeakPolarHBondContact CB-O 2.93Å; R170-I190 PolarHBondContact N-O 3.38Å; R170-E191 VanDerWaalsContact CD-OE1 3.25Å; R170-E191 WeakPolarHBondContact CD-OE1 2.98Å; R170-E191 WeakPolarHBondContact CD-OE2 3.48Å; R170-E191 IonicContact CZ-OE1 2.68Å; R170-E191 IonicContact CZ-OE2 3.09Å; R170-E191 IonicContact NE-OE1 2.72Å; R170-E191 VanDerWaalsContact NH1-CD 3.33Å; R170-E191 IonicContact NH1-OE1 3.28Å; R170-E191 PolarHBondContact NH1-OE1 3.21Å; R170-E191 IonicContact NH1-OE2 3.79Å; R170-E191 PolarHBondContact NH1-OE2 3.03Å; R170-E191 VanDerWaalsContact NH1-OE2 3.14Å; R170-R258 PolarHBondContact O-NE 3.49Å; R170-D485 PolarHBondContact NH2-O 2.85Å
171I97.6Very high96.8Very high4 Ų434.4 Ų34.42%0.02117%0.167CC..  trans-146.8127.9166.7179.3176.7000108.7W168 S169 Q173 T251 C254W168-I171 WeakPolarHBondContact CH2-O 3.25Å; W168-I171 HydrophobicContact CZ2-CB 4.4Å; W168-I171 HydrophobicContact CZ2-CG2 3.55Å; W168-I171 WeakPolarHBondContact CZ2-O 3.3Å; S169-I171 PolarHBondContact O-N 3.33Å; I171-Q173 HydrophobicContact CG1-CB 4.46Å; I171-Q173 PolarHBondContact O-N 3.44Å; I171-T251 HydrophobicContact CD1-CG2 3.68Å; I171-C254 HydrophobicContact CD1-CB 3.5Å; I171-C254 HydrophobicContact CG1-CB 4.39Å
172D96.8Very high97.1Very high3 Ų329.1 Ų29.12%0.01615%0.149CC..  trans-83.170.7-172-61.9-8.3000111R170 F487 N488 S489 H490R170-D172 IonicContact CZ-OD1 2.66Å; R170-D172 IonicContact NE-OD1 3.3Å; R170-D172 PolarHBondContact NE-OD1 2.96Å; R170-D172 IonicContact NE-OD2 2.69Å; R170-D172 IonicContact NH2-OD1 2.72Å; R170-D172 PolarHBondContact NH2-OD1 2.97Å; R170-D172 IonicContact NH2-OD2 3.82Å; R170-D172 PolarHBondContact NH2-OD2 3.37Å; D172-F487 HydrophobicContact CB-CD1 4.31Å; D172-F487 HydrophobicContact CB-CD2 3.96Å; D172-F487 HydrophobicContact CB-CE1 4.18Å; D172-F487 HydrophobicContact CB-CE2 3.84Å; D172-F487 HydrophobicContact CB-CG 4.2Å; D172-F487 HydrophobicContact CB-CZ 3.95Å; D172-F487 VanDerWaalsContact OD2-CA 3.29Å; D172-F487 WeakPolarHBondContact OD2-CA 3.33Å; D172-N488 VanDerWaalsContact CB-N 3.3Å; D172-N488 PolarHBondContact OD2-N 3.08Å; D172-S489 PolarHBondContact OD2-N 3.14Å; D172-H490 WeakPolarHBondContact CB-ND1 3.42Å; D172-H490 PolarHBondContact N-ND1 3.33Å; D172-H490 WeakPolarHBondContact OD2-CA 3.41Å; D172-H490 PolarHBondContact OD2-N 3.31Å; D172-H490 IonicContact OD2-ND1 3.76Å
173Q95.5Very high97.3Very high67 Ų6724.9 Ų24.931%0.31314%0.135SC..  trans-133.2116.3175.9-160.2-76.9-7.400108.3I171 S175 C176 F177I171-Q173 HydrophobicContact CG1-CB 4.46Å; I171-Q173 PolarHBondContact O-N 3.44Å; Q173-S175 VanDerWaalsContact C-N 3.29Å; Q173-S175 PolarHBondContact O-N 3.14Å; Q173-S175 VanDerWaalsContact OE1-CA 3.23Å; Q173-C176 PolarHBondContact O-N 2.91Å; Q173-C176 PolarHBondContact O-SG 3.35Å; Q173-F177 PolarHBondContact O-N 3.23Å
174K96Very high97.3Very high85 Ų8527.4 Ų27.437%0.3716%0.161SC..Hα-helixtrans-61.6-34.5-168.9-63.2-176.1179.8179.80113.3F177 K178 L479 F487K174-F177 PolarHBondContact O-N 3.45Å; K174-K178 VanDerWaalsContact O-CB 3.26Å; K174-K178 WeakPolarHBondContact O-CB 3.46Å; K174-K178 WeakPolarHBondContact O-CG 3.48Å; K174-K178 PolarHBondContact O-N 2.56Å; K174-L479 HydrophobicContact CD-CD2 4.38Å; K174-L479 HydrophobicContact CG-CD2 4.21Å; K174-F487 HydrophobicContact CG-CE1 4.31Å; K174-F487 HydrophobicContact CG-CZ 3.9Å
175S95.1Very high97.3Very high50 Ų5025.2 Ų25.235%0.3515%0.149SC..Hα-helixtrans-68.6-39.8-175.8-169.90000113.2G145 Q173 C179G145-S175 WeakPolarHBondContact CA-OG 3.43Å; Q173-S175 VanDerWaalsContact C-N 3.29Å; Q173-S175 PolarHBondContact O-N 3.14Å; Q173-S175 VanDerWaalsContact OE1-CA 3.23Å; S175-C179 PolarHBondContact O-N 3.01Å
176C90.8Very high97.3Very high2 Ų226.2 Ų26.21%0.01415%0.154CC..Hα-helixtrans-75.8-25.6177.661.60000112Q173 C179 F249Q173-C176 PolarHBondContact O-N 2.91Å; Q173-C176 PolarHBondContact O-SG 3.35Å; C176-C179 PolarHBondContact O-SG 3.43Å; C176-F249 HydrophobicContact CB-CE1 4.21Å; C176-F249 HydrophobicContact CB-CZ 4.11Å; C176-F249 WeakPolarHBondContact O-CE1 3.43Å
177F97Very high97.3Very high0 Ų026.2 Ų26.20%015%0.154CC..Hα-helixtrans-71.6-49.5168.5-167.3-101.8000111.5W168 Q173 K174 C179 M180 L181 P187 P189 L479 Y482 F484W168-F177 HydrophobicContact CD2-CD2 4.33Å; W168-F177 AromaticContact CE3-CD2 3.78Å; W168-F177 HydrophobicContact CE3-CD2 3.78Å; W168-F177 HydrophobicContact CE3-CE2 4.13Å; W168-F177 HydrophobicContact CH2-CB 4.31Å; W168-F177 AromaticContact CH2-CD2 3.86Å; W168-F177 HydrophobicContact CH2-CD2 3.86Å; W168-F177 HydrophobicContact CZ2-CB 4.44Å; W168-F177 HydrophobicContact CZ2-CD2 4.39Å; W168-F177 AromaticContact CZ3-CD2 3.54Å; W168-F177 HydrophobicContact CZ3-CD2 3.54Å; W168-F177 HydrophobicContact CZ3-CE2 4.06Å; Q173-F177 PolarHBondContact O-N 3.23Å; K174-F177 PolarHBondContact O-N 3.45Å; F177-C179 PolarHBondContact O-N 3.38Å; F177-M180 HydrophobicContact CD2-CE 3.69Å; F177-M180 HydrophobicContact CE2-CE 4.16Å; F177-M180 HydrophobicContact CG-CE 4.36Å; F177-M180 PolarHBondContact O-N 3.24Å; F177-L181 HydrophobicContact CD1-CD1 3.97Å; F177-L181 HydrophobicContact CE1-CD1 3.78Å; F177-L181 HydrophobicContact CE1-CG 4.27Å; F177-P187 HydrophobicContact CD2-CB 4.34Å; F177-P187 HydrophobicContact CE1-CG 4.41Å; F177-P187 HydrophobicContact CE2-CB 3.47Å; F177-P187 VanDerWaalsContact CE2-CB 3.47Å; F177-P187 HydrophobicContact CE2-CG 3.85Å; F177-P187 HydrophobicContact CZ-CB 3.77Å; F177-P187 HydrophobicContact CZ-CG 3.76Å; F177-P189 HydrophobicContact CE2-CG 4.13Å; F177-L479 HydrophobicContact CB-CD1 4.17Å; F177-L479 HydrophobicContact CD1-CB 3.75Å; F177-L479 HydrophobicContact CD1-CD1 3.74Å; F177-L479 HydrophobicContact CD1-CG 4.38Å; F177-L479 HydrophobicContact CE1-CB 3.76Å; F177-L479 HydrophobicContact CE1-CD1 4.41Å; F177-L479 HydrophobicContact CG-CD1 4.05Å; F177-Y482 AromaticContact CE1-CD2 3.91Å; F177-Y482 HydrophobicContact CE1-CD2 3.91Å; F177-Y482 HydrophobicContact CE1-CE2 4.41Å; F177-Y482 HydrophobicContact CE1-CG 4.34Å; F177-Y482 HydrophobicContact CZ-CD1 4.16Å; F177-Y482 AromaticContact CZ-CD2 3.52Å; F177-Y482 HydrophobicContact CZ-CD2 3.52Å; F177-Y482 HydrophobicContact CZ-CE1 4.41Å; F177-Y482 AromaticContact CZ-CE2 3.83Å; F177-Y482 HydrophobicContact CZ-CE2 3.83Å; F177-Y482 AromaticContact CZ-CG 3.72Å; F177-Y482 HydrophobicContact CZ-CG 3.72Å; F177-F484 HydrophobicContact CD2-CZ 4.09Å; F177-F484 HydrophobicContact CE1-CE2 4.18Å; F177-F484 HydrophobicContact CE1-CZ 4.49Å; F177-F484 HydrophobicContact CE2-CE2 4.14Å; F177-F484 AromaticContact CE2-CZ 3.65Å; F177-F484 HydrophobicContact CE2-CZ 3.65Å; F177-F484 AromaticContact CZ-CE2 3.96Å; F177-F484 HydrophobicContact CZ-CE2 3.96Å; F177-F484 AromaticContact CZ-CZ 3.87Å; F177-F484 HydrophobicContact CZ-CZ 3.87Å
178K98Very high97.3Very high131 Ų13126.2 Ų26.257%0.5715%0.154SC*.Hα-helixtrans-61.8-26-179.3-75.1179.167.5176.70113.7K174 M180 L181 A182K174-K178 VanDerWaalsContact O-CB 3.26Å; K174-K178 WeakPolarHBondContact O-CB 3.46Å; K174-K178 WeakPolarHBondContact O-CG 3.48Å; K174-K178 PolarHBondContact O-N 2.56Å; K178-M180 VanDerWaalsContact C-N 3.28Å; K178-M180 PolarHBondContact O-N 3.34Å; K178-L181 PolarHBondContact O-N 3.38Å; K178-A182 VanDerWaalsContact O-CB 3.27Å; K178-A182 WeakPolarHBondContact O-CB 3.33Å; K178-A182 PolarHBondContact O-N 3.4Å
179C98.1Very high97.3Very high3 Ų326.1 Ų26.12%0.0215%0.154CC..Hα-helixtrans-66.1-31.9-179.773.60000112.9G145 L148 T149 S175 C176 F177 A183G145-C179 WeakPolarHBondContact O-CB 3.46Å; L148-C179 HydrophobicContact CB-CB 4.09Å; T149-C179 WeakPolarHBondContact OG1-CA 3.42Å; T149-C179 VanDerWaalsContact OG1-CB 3.27Å; T149-C179 WeakPolarHBondContact OG1-CB 3.41Å; T149-C179 PolarHBondContact OG1-O 3.13Å; S175-C179 PolarHBondContact O-N 3.01Å; C176-C179 PolarHBondContact O-SG 3.43Å; F177-C179 PolarHBondContact O-N 3.38Å; C179-A183 PolarHBondContact O-N 3.32Å; C179-A183 VanDerWaalsContact O-N 3.16Å
180M98.6Very high97.3Very high0 Ų026.1 Ų26.10%015%0.154CC..Hα-helixtrans-69.2-47.4174.1-64.6178.9-78.700111.3L152 V166 W168 F177 K178 A182 A183 G184 L185 P187 F249L152-M180 HydrophobicContact CD1-CB 4.32Å; L152-M180 HydrophobicContact CD1-CG 3.79Å; V166-M180 HydrophobicContact CB-CG 4.25Å; V166-M180 HydrophobicContact CB-SD 3.65Å; V166-M180 HydrophobicContact CG1-CG 4.08Å; V166-M180 HydrophobicContact CG1-SD 3.4Å; V166-M180 WeakPolarHBondContact CG1-SD 3.06Å; V166-M180 HydrophobicContact CG2-CG 4.39Å; V166-M180 HydrophobicContact CG2-SD 4.41Å; W168-M180 HydrophobicContact CB-CE 3.86Å; W168-M180 HydrophobicContact CB-SD 3.93Å; W168-M180 HydrophobicContact CD2-CE 3.81Å; W168-M180 HydrophobicContact CE3-CE 4.35Å; W168-M180 HydrophobicContact CG-CE 3.58Å; W168-M180 HydrophobicContact CG-SD 4.18Å; F177-M180 HydrophobicContact CD2-CE 3.69Å; F177-M180 HydrophobicContact CE2-CE 4.16Å; F177-M180 HydrophobicContact CG-CE 4.36Å; F177-M180 PolarHBondContact O-N 3.24Å; K178-M180 VanDerWaalsContact C-N 3.28Å; K178-M180 PolarHBondContact O-N 3.34Å; M180-A182 VanDerWaalsContact C-N 3.34Å; M180-A182 PolarHBondContact O-N 3.13Å; M180-A183 WeakPolarHBondContact O-CB 3.4Å; M180-A183 PolarHBondContact O-N 2.83Å; M180-A183 VanDerWaalsContact O-N 3.09Å; M180-G184 PolarHBondContact O-N 2.95Å; M180-L185 PolarHBondContact O-N 2.99Å; M180-L185 VanDerWaalsContact O-N 3.14Å; M180-P187 HydrophobicContact CB-CG 3.89Å; M180-P187 HydrophobicContact CE-CB 3.82Å; M180-P187 HydrophobicContact CE-CG 4.07Å; M180-P187 HydrophobicContact SD-CB 3.98Å; M180-P187 HydrophobicContact SD-CG 4.2Å; M180-F249 HydrophobicContact CE-CD1 4.29Å; M180-F249 HydrophobicContact CG-CD1 4.08Å; M180-F249 HydrophobicContact CG-CE1 4.36Å; M180-F249 HydrophobicContact SD-CD1 3.84Å
181L98Very high97.3Very high44 Ų4427.8 Ų27.823%0.2316%0.162CC..Hα-helixtrans-60.4-43.8175.9-61.4175.9000111.6F177 K178 A183 G184 P187 D480F177-L181 HydrophobicContact CD1-CD1 3.97Å; F177-L181 HydrophobicContact CE1-CD1 3.78Å; F177-L181 HydrophobicContact CE1-CG 4.27Å; K178-L181 PolarHBondContact O-N 3.38Å; L181-A183 PolarHBondContact O-N 3.4Å; L181-G184 PolarHBondContact O-N 3.14Å; L181-P187 HydrophobicContact CD2-CG 3.8Å; L181-P187 HydrophobicContact CG-CG 4.25Å; L181-D480 HydrophobicContact CD1-CB 3.67Å; L181-D480 HydrophobicContact CD2-CB 4.36Å
182A98Very high97.2Very high67 Ų6728.3 Ų28.355%0.55417%0.165SC*.Hα-helixtrans-63.9-25.6176.600000113.1T149 K178 M180 G184T149-A182 HydrophobicContact CG2-CB 4.22Å; K178-A182 VanDerWaalsContact O-CB 3.27Å; K178-A182 WeakPolarHBondContact O-CB 3.33Å; K178-A182 PolarHBondContact O-N 3.4Å; M180-A182 VanDerWaalsContact C-N 3.34Å; M180-A182 PolarHBondContact O-N 3.13Å; A182-G184 PolarHBondContact O-N 3.38Å
183A98Very high97.2Very high9 Ų930.8 Ų30.87%0.07418%0.179CC..THydrogen-bonded Turntrans-80.4-1.9172.500000113.2T149 L152 L153 C179 M180 L181 L185T149-A183 HydrophobicContact CG2-CB 4.11Å; L152-A183 HydrophobicContact CB-CB 3.93Å; L152-A183 HydrophobicContact CD1-CB 4.41Å; L153-A183 HydrophobicContact CD2-CB 4.14Å; L153-A183 HydrophobicContact CG-CB 4.25Å; C179-A183 PolarHBondContact O-N 3.32Å; C179-A183 VanDerWaalsContact O-N 3.16Å; M180-A183 WeakPolarHBondContact O-CB 3.4Å; M180-A183 PolarHBondContact O-N 2.83Å; M180-A183 VanDerWaalsContact O-N 3.09Å; L181-A183 PolarHBondContact O-N 3.4Å; A183-L185 VanDerWaalsContact C-N 3.34Å; A183-L185 HydrophobicContact CB-CD1 3.98Å; A183-L185 HydrophobicContact CB-CG 4.04Å
184G97.5Very high97.1Very high53 Ų5331.7 Ų31.755%0.54619%0.194SC..THydrogen-bonded Turntrans66.136.9-174.500000112.5M180 L181 A182M180-G184 PolarHBondContact O-N 2.95Å; L181-G184 PolarHBondContact O-N 3.14Å; A182-G184 PolarHBondContact O-N 3.38Å
185L98.3Very high96.8Very high5 Ų530.1 Ų30.13%0.02619%0.189CC..  trans-110.8161177.5-62.8175.8000110.3L152 K156 V166 M180 A183 P187 V246L152-L185 HydrophobicContact CB-CD1 3.89Å; L152-L185 HydrophobicContact CD2-CD1 4.06Å; L152-L185 HydrophobicContact CG-CD1 4.39Å; K156-L185 HydrophobicContact CD-CD2 3.71Å; K156-L185 HydrophobicContact CG-CD2 4.19Å; V166-L185 HydrophobicContact CG2-CB 3.97Å; V166-L185 HydrophobicContact CG2-CD1 3.57Å; V166-L185 HydrophobicContact CG2-CG 4.34Å; M180-L185 PolarHBondContact O-N 2.99Å; M180-L185 VanDerWaalsContact O-N 3.14Å; A183-L185 VanDerWaalsContact C-N 3.34Å; A183-L185 HydrophobicContact CB-CD1 3.98Å; A183-L185 HydrophobicContact CB-CG 4.04Å; L185-P187 WeakPolarHBondContact O-CD 3.37Å; L185-V246 HydrophobicContact CD1-CB 4.49Å; L185-V246 HydrophobicContact CD1-CG1 4.37Å; L185-V246 HydrophobicContact CD1-CG2 4.3Å; L185-V246 HydrophobicContact CD2-CG2 3.74Å
186I98.2Very high96.2Very high22 Ų2233.1 Ų33.111%0.11322%0.217CC..EExtended strand (participates in β ladder)trans-99.8108.1179.3-58.8169.5000108.7N164 F165 V166 L219 Y230N164-I186 HydrophobicContact CB-CD1 4.46Å; N164-I186 PolarHBondContact O-N 3.21Å; F165-I186 CarbonylContact C-O 3.13Å; F165-I186 WeakPolarHBondContact CA-O 3.01Å; F165-I186 HydrophobicContact CD1-CB 3.73Å; F165-I186 HydrophobicContact CD1-CD1 4.33Å; F165-I186 HydrophobicContact CD1-CG2 3.71Å; F165-I186 HydrophobicContact CE1-CB 4.06Å; F165-I186 HydrophobicContact CE1-CD1 3.9Å; F165-I186 HydrophobicContact CE1-CG2 3.81Å; V166-I186 PolarHBondContact N-O 3.09Å; I186-L219 HydrophobicContact CG2-CD2 3.87Å; I186-Y230 HydrophobicContact CB-CD2 4.44Å; I186-Y230 HydrophobicContact CD1-CD1 4.07Å; I186-Y230 HydrophobicContact CD1-CD2 4.4Å; I186-Y230 HydrophobicContact CD1-CG 3.85Å; I186-Y230 HydrophobicContact CG1-CD1 3.83Å; I186-Y230 HydrophobicContact CG1-CD2 4.14Å; I186-Y230 HydrophobicContact CG1-CE1 4.1Å; I186-Y230 HydrophobicContact CG1-CE2 4.39Å; I186-Y230 HydrophobicContact CG1-CG 3.86Å; I186-Y230 HydrophobicContact CG2-CD2 3.57Å; I186-Y230 HydrophobicContact CG2-CE2 3.74Å; I186-Y230 HydrophobicContact CG2-CG 4.12Å
187P98.5Very high96Very high0 Ų037.4 Ų37.40%025%0.247CC..EExtended strand (participates in β ladder)trans-65.1137.4173.8-2133.2000111.8F177 M180 L181 L185 Y482F177-P187 HydrophobicContact CD2-CB 4.34Å; F177-P187 HydrophobicContact CE1-CG 4.41Å; F177-P187 HydrophobicContact CE2-CB 3.47Å; F177-P187 VanDerWaalsContact CE2-CB 3.47Å; F177-P187 HydrophobicContact CE2-CG 3.85Å; F177-P187 HydrophobicContact CZ-CB 3.77Å; F177-P187 HydrophobicContact CZ-CG 3.76Å; M180-P187 HydrophobicContact CB-CG 3.89Å; M180-P187 HydrophobicContact CE-CB 3.82Å; M180-P187 HydrophobicContact CE-CG 4.07Å; M180-P187 HydrophobicContact SD-CB 3.98Å; M180-P187 HydrophobicContact SD-CG 4.2Å; L181-P187 HydrophobicContact CD2-CG 3.8Å; L181-P187 HydrophobicContact CG-CG 4.25Å; L185-P187 WeakPolarHBondContact O-CD 3.37Å; P187-Y482 WeakPolarHBondContact CD-OH 3.31Å; P187-Y482 HydrophobicContact CG-CE2 4.42Å; P187-Y482 WeakPolarHBondContact O-CE1 3.4Å; P187-Y482 PolarHBondContact O-OH 2.79Å
188I98.5Very high95.6Very high0 Ų038.9 Ų38.90%026%0.255CS..EExtended strand (participates in β ladder)trans-116.194.8164.4-57.4-174.7000106.9F165 V166 L167 W168 I190 P215 Y218 L219F165-I188 HydrophobicContact CB-CD1 3.82Å; F165-I188 HydrophobicContact CB-CG1 4.27Å; F165-I188 HydrophobicContact CD1-CD1 3.6Å; F165-I188 HydrophobicContact CD1-CG1 3.93Å; F165-I188 HydrophobicContact CD2-CD1 4.47Å; F165-I188 HydrophobicContact CE1-CD1 4.3Å; F165-I188 HydrophobicContact CG-CD1 3.71Å; F165-I188 HydrophobicContact CG-CG1 4.35Å; V166-I188 PolarHBondContact O-N 2.79Å; L167-I188 HydrophobicContact CD2-CB 3.78Å; L167-I188 HydrophobicContact CD2-CD1 3.76Å; L167-I188 HydrophobicContact CD2-CG1 4.21Å; L167-I188 HydrophobicContact CD2-CG2 4.02Å; W168-I188 PolarHBondContact N-O 3.42Å; I188-I190 HydrophobicContact CG2-CD1 4.01Å; I188-I190 PolarHBondContact O-N 3.38Å; I188-P215 HydrophobicContact CD1-CB 3.56Å; I188-P215 WeakPolarHBondContact CD1-O 3.4Å; I188-Y218 HydrophobicContact CG2-CD1 3.49Å; I188-Y218 VanDerWaalsContact CG2-CD1 3.49Å; I188-Y218 HydrophobicContact CG2-CE1 3.9Å; I188-L219 HydrophobicContact CD1-CB 4.26Å; I188-L219 HydrophobicContact CG1-CB 4.38Å; I188-L219 HydrophobicContact CG1-CD1 4.17Å
189P98.4Very high95.4Very high0 Ų034.8 Ų34.80%024%0.239CC..EExtended strand (participates in β ladder)trans-64.1127.8174.9-17.428.9000111W168 F177 W223 Y482 F484W168-P189 HydrophobicContact CE3-CB 3.92Å; W168-P189 HydrophobicContact CE3-CG 4.24Å; W168-P189 HydrophobicContact CZ3-CB 4.21Å; F177-P189 HydrophobicContact CE2-CG 4.13Å; P189-W223 HydrophobicContact CB-CH2 4.4Å; P189-W223 HydrophobicContact CB-CZ2 3.52Å; P189-W223 HydrophobicContact CG-CD2 4.27Å; P189-W223 HydrophobicContact CG-CH2 4.35Å; P189-W223 HydrophobicContact CG-CZ2 3.73Å; P189-W223 PolarHBondContact O-NE1 2.88Å; P189-W223 VanDerWaalsContact O-NE1 3.09Å; P189-Y482 HydrophobicContact CG-CD1 4.07Å; P189-Y482 HydrophobicContact CG-CE1 4.12Å; P189-F484 HydrophobicContact CB-CE1 4.07Å; P189-F484 HydrophobicContact CB-CZ 4.44Å; P189-F484 HydrophobicContact CG-CE1 3.95Å; P189-F484 HydrophobicContact CG-CZ 3.86Å
190I98.5Very high95.3Very high2 Ų234.9 Ų34.91%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-103.7116.4172.9-50.3-59.4000108.1W168 R170 I188 N204 A207 L208 A211 Y218W168-I190 PolarHBondContact O-N 3.42Å; R170-I190 VanDerWaalsContact CB-O 3.3Å; R170-I190 WeakPolarHBondContact CB-O 2.93Å; R170-I190 PolarHBondContact N-O 3.38Å; I188-I190 HydrophobicContact CG2-CD1 4.01Å; I188-I190 PolarHBondContact O-N 3.38Å; I190-N204 HydrophobicContact CG2-CB 4.25Å; I190-A207 HydrophobicContact CG2-CB 3.77Å; I190-L208 HydrophobicContact CG1-CD2 3.84Å; I190-L208 HydrophobicContact CG1-CG 4.39Å; I190-L208 HydrophobicContact CG2-CG 4.22Å; I190-A211 HydrophobicContact CD1-CB 3.84Å; I190-Y218 HydrophobicContact CD1-CD1 4.12Å; I190-Y218 HydrophobicContact CD1-CE1 3.46Å; I190-Y218 VanDerWaalsContact CD1-CE1 3.46Å
191E97.2Very high95.2Very high37 Ų3735.4 Ų35.417%0.17324%0.242CC..PPolyproline II helixtrans-62.9144.7176.1-71.7-60.9142.400111.4R170 N204R170-E191 VanDerWaalsContact CD-OE1 3.25Å; R170-E191 WeakPolarHBondContact CD-OE1 2.98Å; R170-E191 WeakPolarHBondContact CD-OE2 3.48Å; R170-E191 IonicContact CZ-OE1 2.68Å; R170-E191 IonicContact CZ-OE2 3.09Å; R170-E191 IonicContact NE-OE1 2.72Å; R170-E191 VanDerWaalsContact NH1-CD 3.33Å; R170-E191 IonicContact NH1-OE1 3.28Å; R170-E191 PolarHBondContact NH1-OE1 3.21Å; R170-E191 IonicContact NH1-OE2 3.79Å; R170-E191 PolarHBondContact NH1-OE2 3.03Å; R170-E191 VanDerWaalsContact NH1-OE2 3.14Å; E191-N204 WeakPolarHBondContact O-CB 3.47Å
192L97.3Very high95.1Very high15 Ų1533.7 Ų33.78%0.07923%0.233CC..PPolyproline II helixtrans-79159.2178.6-57.3177.3000111L201 C202 R258 H490L192-L201 HydrophobicContact CB-CB 4.03Å; L192-L201 HydrophobicContact CD1-CB 3.7Å; L192-L201 HydrophobicContact CD1-CD1 4.35Å; L192-C202 WeakPolarHBondContact CA-O 3.44Å; L192-C202 WeakPolarHBondContact CB-O 3.38Å; L192-R258 HydrophobicContact CD1-CB 4.18Å; L192-R258 HydrophobicContact CD1-CG 3.64Å; L192-H490 HydrophobicContact CD1-CB 3.85Å
193V96Very high95.1Very high54 Ų5430.6 Ų30.633%0.32721%0.208SC..EExtended strand (participates in β ladder)trans-108.1134.6172.7-70.90000110.3C202 N204V193-C202 HydrophobicContact CG2-CB 4.29Å; V193-C202 PolarHBondContact N-O 2.86Å; V193-C202 PolarHBondContact O-N 3.01Å; V193-N204 HydrophobicContact CG1-CB 3.79Å; V193-N204 VanDerWaalsContact CG1-CG 3.43Å; V193-N204 VanDerWaalsContact CG1-ND2 3.31Å; V193-N204 WeakPolarHBondContact CG1-ND2 3.47Å; V193-N204 HydrophobicContact CG2-CB 4.35Å
194S93.7Very high95.1Very high87 Ų8731.7 Ų31.761%0.60821%0.212SC*.EExtended strand (participates in β ladder)trans-68.9132.6168.3-56.20000109.7Q200 L201S194-Q200 WeakPolarHBondContact CA-O 3.33Å; S194-L201 WeakPolarHBondContact OG-CD2 3.27Å
195D89.5Confident95.1Very high51 Ų5131.5 Ų31.527%0.27320%0.199SC..  trans-73133.4171.2-171.5-27.7000109.3S197 N198 Q200D195-S197 PolarHBondContact O-N 3.25Å; D195-S197 PolarHBondContact OD1-N 3.22Å; D195-S197 PolarHBondContact OD1-OG 3.1Å; D195-N198 WeakPolarHBondContact CB-OD1 3.19Å; D195-N198 PolarHBondContact OD2-ND2 2.84Å; D195-N198 PolarHBondContact OD2-OD1 3.41Å; D195-Q200 HydrophobicContact CB-CB 4.4Å; D195-Q200 PolarHBondContact N-O 3.12Å
196A81.6Confident95.1Very high113 Ų11337.2 Ų37.293%0.93423%0.229SC*.THydrogen-bonded Turntrans-71.5-19.1-178.900000113.2
197S86.8Confident95.1Very high93 Ų9336.7 Ų36.765%0.6523%0.228SC*.THydrogen-bonded Turntrans-95-14.4-173.564.90000114.5D195D195-S197 PolarHBondContact O-N 3.25Å; D195-S197 PolarHBondContact OD1-N 3.22Å; D195-S197 PolarHBondContact OD1-OG 3.1Å
198N89.8Confident95.1Very high31 Ų3136.7 Ų36.717%0.16623%0.228CC..SBendtrans-155.6-175.3-173.85563.6000109.9D195 Q200 D407D195-N198 WeakPolarHBondContact CB-OD1 3.19Å; D195-N198 PolarHBondContact OD2-ND2 2.84Å; D195-N198 PolarHBondContact OD2-OD1 3.41Å; N198-Q200 VanDerWaalsContact C-N 3.33Å; N198-Q200 HydrophobicContact CB-CG 4.5Å; N198-Q200 PolarHBondContact ND2-NE2 3.2Å; N198-Q200 PolarHBondContact O-N 2.69Å; N198-Q200 WeakPolarHBondContact OD1-CB 3.45Å; N198-Q200 WeakPolarHBondContact OD1-CG 3.4Å; N198-Q200 PolarHBondContact OD1-N 2.94Å; N198-Q200 VanDerWaalsContact OD1-N 3.07Å; N198-Q200 PolarHBondContact OD1-NE2 3.05Å; N198-D407 HydrophobicContact CB-CB 4.06Å
199D93.3Very high95.1Very high45 Ų4538.9 Ų38.924%0.24124%0.239CC..SBendtrans-93.418.8-176.3-63.1-74.6000113.5P257 R404 L406 D407D199-P257 VanDerWaalsContact O-CB 3.28Å; D199-P257 WeakPolarHBondContact O-CB 3.15Å; D199-R404 IonicContact OD1-CZ 2.86Å; D199-R404 VanDerWaalsContact OD1-CZ 3.28Å; D199-R404 IonicContact OD1-NH1 3.2Å; D199-R404 PolarHBondContact OD1-NH1 2.96Å; D199-R404 IonicContact OD1-NH2 3.28Å; D199-R404 PolarHBondContact OD1-NH2 2.85Å; D199-R404 IonicContact OD2-CZ 2.69Å; D199-R404 IonicContact OD2-NH1 2.71Å; D199-R404 PolarHBondContact OD2-NH1 2.66Å; D199-L406 HydrophobicContact CB-CB 3.78Å; D199-L406 HydrophobicContact CB-CD2 4.18Å; D199-L406 HydrophobicContact CB-CG 4.38Å; D199-L406 WeakPolarHBondContact OD2-CA 3.44Å; D199-D407 PolarHBondContact N-O 3.44Å; D199-D407 PolarHBondContact OD2-N 2.84Å
200Q95.3Very high95.1Very high5 Ų542.9 Ų42.92%0.02326%0.263CS..  trans-85143.2-171-59.8170140.100113.1S194 D195 N198 P257 V259 D407 S410S194-Q200 WeakPolarHBondContact CA-O 3.33Å; D195-Q200 HydrophobicContact CB-CB 4.4Å; D195-Q200 PolarHBondContact N-O 3.12Å; N198-Q200 VanDerWaalsContact C-N 3.33Å; N198-Q200 HydrophobicContact CB-CG 4.5Å; N198-Q200 PolarHBondContact ND2-NE2 3.2Å; N198-Q200 PolarHBondContact O-N 2.69Å; N198-Q200 WeakPolarHBondContact OD1-CB 3.45Å; N198-Q200 WeakPolarHBondContact OD1-CG 3.4Å; N198-Q200 PolarHBondContact OD1-N 2.94Å; N198-Q200 VanDerWaalsContact OD1-N 3.07Å; N198-Q200 PolarHBondContact OD1-NE2 3.05Å; Q200-P257 WeakPolarHBondContact CA-O 3.26Å; Q200-V259 HydrophobicContact CB-CG1 3.77Å; Q200-V259 HydrophobicContact CB-CG2 4.33Å; Q200-V259 HydrophobicContact CG-CG1 3.59Å; Q200-D407 WeakPolarHBondContact CG-O 3.5Å; Q200-S410 PolarHBondContact OE1-OG 3.2Å
201L96.7Very high95.1Very high11 Ų1142.8 Ų42.86%0.05826%0.262CS..EExtended strand (participates in β ladder)trans-95.9113.5164.1-61.6176.6000110L192 S194 P257 R258 V259 S489 H490L192-L201 HydrophobicContact CB-CB 4.03Å; L192-L201 HydrophobicContact CD1-CB 3.7Å; L192-L201 HydrophobicContact CD1-CD1 4.35Å; S194-L201 WeakPolarHBondContact OG-CD2 3.27Å; L201-P257 HydrophobicContact CD1-CG 3.9Å; L201-P257 HydrophobicContact CG-CB 4.49Å; L201-P257 HydrophobicContact CG-CG 4.08Å; L201-P257 PolarHBondContact N-O 3.32Å; L201-R258 HydrophobicContact CB-CB 4.45Å; L201-R258 WeakPolarHBondContact O-CA 3.03Å; L201-V259 PolarHBondContact O-N 3.44Å; L201-V259 VanDerWaalsContact O-N 3.14Å; L201-S489 WeakPolarHBondContact CD1-O 3.18Å; L201-H490 HydrophobicContact CD1-CB 4.13Å
202C96.9Very high95.2Very high7 Ų741 Ų415%0.04725%0.254CS..EExtended strand (participates in β ladder)trans-108.2162.1-174.3-67.90000112.6L192 V193 N204L192-C202 WeakPolarHBondContact CA-O 3.44Å; L192-C202 WeakPolarHBondContact CB-O 3.38Å; V193-C202 HydrophobicContact CG2-CB 4.29Å; V193-C202 PolarHBondContact N-O 2.86Å; V193-C202 PolarHBondContact O-N 3.01Å; C202-N204 PolarHBondContact O-N 3.31Å
203S97.4Very high95.2Very high3 Ų346 Ų462%0.02128%0.275CS..  trans-57.3132.4171.4-35.50000111.6L205 D261 K262S203-L205 PolarHBondContact O-N 3.01Å; S203-D261 WeakPolarHBondContact CB-OD1 3.37Å; S203-D261 WeakPolarHBondContact OG-CA 3.3Å; S203-D261 WeakPolarHBondContact OG-CB 3.24Å; S203-D261 PolarHBondContact OG-OD1 2.77Å; S203-K262 PolarHBondContact OG-N 3.06Å
204N97.9Very high95.3Very high31 Ų3145.4 Ų45.417%0.16627%0.27CS..  trans-88.692.6174.9-169.7-17.4000110.7I190 E191 V193 C202 D206 A207 L208I190-N204 HydrophobicContact CG2-CB 4.25Å; E191-N204 WeakPolarHBondContact O-CB 3.47Å; V193-N204 HydrophobicContact CG1-CB 3.79Å; V193-N204 VanDerWaalsContact CG1-CG 3.43Å; V193-N204 VanDerWaalsContact CG1-ND2 3.31Å; V193-N204 WeakPolarHBondContact CG1-ND2 3.47Å; V193-N204 HydrophobicContact CG2-CB 4.35Å; C202-N204 PolarHBondContact O-N 3.31Å; N204-D206 VanDerWaalsContact C-N 3.32Å; N204-D206 PolarHBondContact OD1-N 2.86Å; N204-A207 HydrophobicContact CB-CB 4.01Å; N204-A207 VanDerWaalsContact ND2-CB 3.3Å; N204-A207 WeakPolarHBondContact ND2-CB 2.98Å; N204-A207 WeakPolarHBondContact OD1-CB 3.07Å; N204-A207 PolarHBondContact OD1-N 3.04Å; N204-L208 WeakPolarHBondContact O-CB 3.19Å; N204-L208 WeakPolarHBondContact O-CG 3.28Å; N204-L208 PolarHBondContact O-N 3.33Å
205L98.1Very high95.5Very high49 Ų4941.3 Ų41.326%0.25724%0.241SC..Hα-helixtrans-66.3-35.4-178.6-62.3177.3000112.2S203 L208 E209 K262 A265 I266 L269S203-L205 PolarHBondContact O-N 3.01Å; L205-L208 HydrophobicContact CD2-CD1 4.42Å; L205-L208 WeakPolarHBondContact O-CB 3.45Å; L205-L208 PolarHBondContact O-N 3.47Å; L205-E209 WeakPolarHBondContact O-CB 3.03Å; L205-E209 PolarHBondContact O-N 3.43Å; L205-K262 HydrophobicContact CD1-CD 4.44Å; L205-A265 HydrophobicContact CD1-CB 3.75Å; L205-A265 HydrophobicContact CD2-CB 4.11Å; L205-I266 HydrophobicContact CD2-CD1 4.49Å; L205-I266 HydrophobicContact CD2-CG1 3.56Å; L205-L269 HydrophobicContact CD2-CD1 4.23Å
206D98.1Very high95.9Very high125 Ų12538.9 Ų38.967%0.66823%0.228SC*.Hα-helixtrans-68-47.1-179.8-62.4-29.6000110.6N204 L208 E209 V210N204-D206 VanDerWaalsContact C-N 3.32Å; N204-D206 PolarHBondContact OD1-N 2.86Å; D206-L208 VanDerWaalsContact C-N 3.33Å; D206-L208 PolarHBondContact O-N 3.04Å; D206-E209 PolarHBondContact O-N 2.91Å; D206-E209 VanDerWaalsContact O-N 3.15Å; D206-V210 WeakPolarHBondContact O-CG2 3.3Å; D206-V210 PolarHBondContact O-N 3.23Å
207A98.2Very high96.7Very high11 Ų1137.5 Ų37.59%0.09120%0.201CC..Hα-helixtrans-64.3-37.9175.700000112.4I190 N204 E209 V210 A211 Y218I190-A207 HydrophobicContact CG2-CB 3.77Å; N204-A207 HydrophobicContact CB-CB 4.01Å; N204-A207 VanDerWaalsContact ND2-CB 3.3Å; N204-A207 WeakPolarHBondContact ND2-CB 2.98Å; N204-A207 WeakPolarHBondContact OD1-CB 3.07Å; N204-A207 PolarHBondContact OD1-N 3.04Å; A207-E209 VanDerWaalsContact C-N 3.34Å; A207-V210 PolarHBondContact O-N 3.27Å; A207-A211 WeakPolarHBondContact O-CB 3.32Å; A207-A211 PolarHBondContact O-N 3.42Å; A207-Y218 HydrophobicContact CB-CE2 4.14Å
208L98.4Very high97.2Very high1 Ų133.5 Ų33.51%0.00517%0.172CC..Hα-helixtrans-58.5-46171.1-82.7167000111.2L167 I190 N204 L205 D206 A211 L212 I248 I266 L269L167-L208 HydrophobicContact CB-CD2 4.16Å; L167-L208 HydrophobicContact CD1-CD2 4.33Å; I190-L208 HydrophobicContact CG1-CD2 3.84Å; I190-L208 HydrophobicContact CG1-CG 4.39Å; I190-L208 HydrophobicContact CG2-CG 4.22Å; N204-L208 WeakPolarHBondContact O-CB 3.19Å; N204-L208 WeakPolarHBondContact O-CG 3.28Å; N204-L208 PolarHBondContact O-N 3.33Å; L205-L208 HydrophobicContact CD2-CD1 4.42Å; L205-L208 WeakPolarHBondContact O-CB 3.45Å; L205-L208 PolarHBondContact O-N 3.47Å; D206-L208 VanDerWaalsContact C-N 3.33Å; D206-L208 PolarHBondContact O-N 3.04Å; L208-A211 PolarHBondContact O-N 3.49Å; L208-L212 WeakPolarHBondContact O-CB 3.41Å; L208-L212 WeakPolarHBondContact O-CD1 3.49Å; L208-L212 WeakPolarHBondContact O-CG 3.09Å; L208-L212 PolarHBondContact O-N 3.1Å; L208-I248 HydrophobicContact CD2-CG2 3.87Å; L208-I266 HydrophobicContact CD1-CD1 4.03Å; L208-I266 HydrophobicContact CD1-CG1 3.98Å; L208-L269 HydrophobicContact CB-CD1 4.21Å
209E98.3Very high97.6Very high46 Ų4632 Ų3222%0.21516%0.164CC..Hα-helixtrans-66.9-36179.4-173.616618000112.7L205 D206 A207 L212 K213 L269 K272 Y273L205-E209 WeakPolarHBondContact O-CB 3.03Å; L205-E209 PolarHBondContact O-N 3.43Å; D206-E209 PolarHBondContact O-N 2.91Å; D206-E209 VanDerWaalsContact O-N 3.15Å; A207-E209 VanDerWaalsContact C-N 3.34Å; E209-L212 PolarHBondContact O-N 2.94Å; E209-K213 WeakPolarHBondContact O-CG 3.42Å; E209-K213 PolarHBondContact O-N 3.43Å; E209-K213 IonicContact OE1-NZ 3.91Å; E209-L269 HydrophobicContact CB-CD2 4.35Å; E209-L269 HydrophobicContact CG-CD2 4.44Å; E209-K272 IonicContact OE1-NZ 2.77Å; E209-K272 PolarHBondContact OE1-NZ 2.9Å; E209-Y273 HydrophobicContact CG-CE2 4.07Å; E209-Y273 WeakPolarHBondContact CG-OH 3.42Å; E209-Y273 PolarHBondContact OE1-OH 3.29Å; E209-Y273 VanDerWaalsContact OE1-OH 3.12Å
210V98.4Very high97.8Very high83 Ų8332.8 Ų32.850%0.50317%0.168SC..Hα-helixtrans-63.3-47.9171.7176.50000110.6D206 A207 L212 K213 N214 Y218D206-V210 WeakPolarHBondContact O-CG2 3.3Å; D206-V210 PolarHBondContact O-N 3.23Å; A207-V210 PolarHBondContact O-N 3.27Å; V210-L212 VanDerWaalsContact C-N 3.32Å; V210-L212 PolarHBondContact O-N 3.18Å; V210-K213 PolarHBondContact O-N 3.35Å; V210-N214 PolarHBondContact O-N 2.94Å; V210-Y218 HydrophobicContact CB-CD2 4.37Å; V210-Y218 HydrophobicContact CG1-CD2 4Å
211A98.5Very high97.9Very high0 Ų036.8 Ų36.80%019%0.189CC..Hα-helixtrans-64.8-33.6178.400000112.9L167 I190 A207 L208 K213 N214 P215 Y218L167-A211 HydrophobicContact CD1-CB 3.93Å; L167-A211 HydrophobicContact CD2-CB 3.88Å; I190-A211 HydrophobicContact CD1-CB 3.84Å; A207-A211 WeakPolarHBondContact O-CB 3.32Å; A207-A211 PolarHBondContact O-N 3.42Å; L208-A211 PolarHBondContact O-N 3.49Å; A211-K213 VanDerWaalsContact C-N 3.31Å; A211-K213 PolarHBondContact O-N 2.94Å; A211-N214 CarbonylContact O-C 3.52Å; A211-P215 WeakPolarHBondContact O-CA 3.46Å; A211-P215 WeakPolarHBondContact O-CB 3.49Å; A211-P215 WeakPolarHBondContact O-CD 3.11Å; A211-Y218 HydrophobicContact CB-CD1 4Å; A211-Y218 HydrophobicContact CB-CD2 3.77Å; A211-Y218 HydrophobicContact CB-CE1 4.47Å; A211-Y218 HydrophobicContact CB-CE2 4.26Å; A211-Y218 HydrophobicContact CB-CG 3.63Å
212L98.2Very high97.9Very high0 Ų040.8 Ų40.80%021%0.208CC..Hα-helixtrans-65.3-33.5175.2-78.1162.8000112.6L167 L208 E209 V210 S242 I245 I248 L269 Y273 V275L167-L212 HydrophobicContact CD1-CD2 3.77Å; L167-L212 HydrophobicContact CD1-CG 3.68Å; L208-L212 WeakPolarHBondContact O-CB 3.41Å; L208-L212 WeakPolarHBondContact O-CD1 3.49Å; L208-L212 WeakPolarHBondContact O-CG 3.09Å; L208-L212 PolarHBondContact O-N 3.1Å; E209-L212 PolarHBondContact O-N 2.94Å; V210-L212 VanDerWaalsContact C-N 3.32Å; V210-L212 PolarHBondContact O-N 3.18Å; L212-S242 WeakPolarHBondContact O-CB 3.36Å; L212-S242 PolarHBondContact O-N 2.98Å; L212-I245 HydrophobicContact CD2-CD1 3.86Å; L212-I248 HydrophobicContact CD1-CD1 3.92Å; L212-I248 HydrophobicContact CD2-CD1 4.03Å; L212-I248 HydrophobicContact CD2-CG1 4.3Å; L212-I248 HydrophobicContact CG-CD1 4.35Å; L212-L269 HydrophobicContact CD1-CB 3.86Å; L212-L269 HydrophobicContact CD1-CD1 4.36Å; L212-Y273 HydrophobicContact CB-CD1 4.16Å; L212-Y273 HydrophobicContact CB-CD2 4.1Å; L212-Y273 HydrophobicContact CB-CE1 4.38Å; L212-Y273 HydrophobicContact CB-CE2 4.3Å; L212-Y273 HydrophobicContact CB-CG 4.03Å; L212-Y273 HydrophobicContact CD1-CD2 3.73Å; L212-Y273 HydrophobicContact CD1-CE2 4.15Å; L212-Y273 HydrophobicContact CD1-CG 4.28Å; L212-Y273 HydrophobicContact CD2-CG 4.41Å; L212-Y273 HydrophobicContact CG-CD2 4.37Å; L212-Y273 HydrophobicContact CG-CG 4.48Å; L212-V275 HydrophobicContact CD2-CB 4.38Å; L212-V275 HydrophobicContact CD2-CG2 3.93Å
213K97.6Very high97.9Very high119 Ų11941.9 Ų41.952%0.51721%0.211SC..Hα-helixtrans-73.2-42.8179.2-71.6168.5-1751690112E209 V210 A211 Y273E209-K213 WeakPolarHBondContact O-CG 3.42Å; E209-K213 PolarHBondContact O-N 3.43Å; E209-K213 IonicContact OE1-NZ 3.91Å; V210-K213 PolarHBondContact O-N 3.35Å; A211-K213 VanDerWaalsContact C-N 3.31Å; A211-K213 PolarHBondContact O-N 2.94Å; K213-Y273 WeakPolarHBondContact CE-OH 3.35Å; K213-Y273 HydrophobicContact CG-CE1 4.03Å
214N97.8Very high97.9Very high43 Ų4345.1 Ų45.123%0.2323%0.232CC..  trans-148.790.2177.2-168.8-36.7000110.2V210 A211 A216 K217 Y218 I237V210-N214 PolarHBondContact O-N 2.94Å; A211-N214 CarbonylContact O-C 3.52Å; N214-A216 VanDerWaalsContact C-N 3.33Å; N214-A216 PolarHBondContact O-N 3.28Å; N214-A216 PolarHBondContact OD1-N 3Å; N214-K217 HydrophobicContact CB-CB 4.05Å; N214-K217 VanDerWaalsContact CG-CB 3.49Å; N214-K217 PolarHBondContact O-N 2.8Å; N214-K217 WeakPolarHBondContact OD1-CB 3.5Å; N214-K217 PolarHBondContact OD1-N 2.97Å; N214-Y218 PolarHBondContact O-N 3.27Å; N214-Y218 VanDerWaalsContact O-N 3.12Å; N214-I237 PolarHBondContact ND2-O 3.41Å
215P98.2Very high97.7Very high0 Ų048.5 Ų48.50%025%0.25CC..Hα-helixtrans-67.1-34.4-175.324.1-32.3000112.2F165 L167 I188 A211 Y218 L219 S240 D244 I245F165-P215 HydrophobicContact CB-CB 4.47Å; F165-P215 HydrophobicContact CD2-CB 3.79Å; F165-P215 HydrophobicContact CD2-CG 3.74Å; F165-P215 HydrophobicContact CE2-CB 4.26Å; F165-P215 HydrophobicContact CE2-CG 4.07Å; F165-P215 HydrophobicContact CG-CB 4.18Å; L167-P215 HydrophobicContact CD2-CB 4.48Å; I188-P215 HydrophobicContact CD1-CB 3.56Å; I188-P215 WeakPolarHBondContact CD1-O 3.4Å; A211-P215 WeakPolarHBondContact O-CA 3.46Å; A211-P215 WeakPolarHBondContact O-CB 3.49Å; A211-P215 WeakPolarHBondContact O-CD 3.11Å; P215-Y218 PolarHBondContact O-N 2.92Å; P215-L219 WeakPolarHBondContact O-CB 3.36Å; P215-L219 PolarHBondContact O-N 3.08Å; P215-S240 WeakPolarHBondContact CD-OG 3.4Å; P215-S240 VanDerWaalsContact CG-OG 3.31Å; P215-S240 WeakPolarHBondContact CG-OG 3.38Å; P215-D244 HydrophobicContact CG-CB 4.32Å; P215-I245 HydrophobicContact CB-CD1 4.1Å; P215-I245 HydrophobicContact CB-CG1 4Å; P215-I245 HydrophobicContact CG-CD1 4.04Å; P215-I245 HydrophobicContact CG-CG1 3.81Å
216A98Very high97.7Very high0 Ų046.2 Ų46.20%024%0.238CC..Hα-helixtrans-63.7-48.2177.500000112.5N214 Y218 L219 L220 I232 F236 I237N214-A216 VanDerWaalsContact C-N 3.33Å; N214-A216 PolarHBondContact O-N 3.28Å; N214-A216 PolarHBondContact OD1-N 3Å; A216-Y218 VanDerWaalsContact C-N 3.32Å; A216-Y218 PolarHBondContact O-N 2.6Å; A216-L219 PolarHBondContact O-N 2.6Å; A216-L220 PolarHBondContact O-N 2.97Å; A216-I232 HydrophobicContact CB-CG2 3.83Å; A216-F236 HydrophobicContact CB-CD1 3.47Å; A216-F236 VanDerWaalsContact CB-CD1 3.47Å; A216-F236 HydrophobicContact CB-CE1 3.71Å; A216-I237 HydrophobicContact CB-CG1 3.9Å
217K98Very high97.6Very high84 Ų8440.3 Ų40.337%0.36521%0.207SC..Hα-helixtrans-61.6-43.7177-17459167.377.30111N214 L219 L220 D221 I237N214-K217 HydrophobicContact CB-CB 4.05Å; N214-K217 VanDerWaalsContact CG-CB 3.49Å; N214-K217 PolarHBondContact O-N 2.8Å; N214-K217 WeakPolarHBondContact OD1-CB 3.5Å; N214-K217 PolarHBondContact OD1-N 2.97Å; K217-L219 VanDerWaalsContact C-N 3.34Å; K217-L219 PolarHBondContact O-N 3.34Å; K217-L220 PolarHBondContact O-N 2.87Å; K217-D221 IonicContact NZ-OD1 2.6Å; K217-D221 PolarHBondContact NZ-OD1 3.36Å; K217-D221 IonicContact NZ-OD2 3.19Å; K217-D221 PolarHBondContact NZ-OD2 3.41Å; K217-D221 WeakPolarHBondContact O-CB 3.38Å; K217-D221 PolarHBondContact O-N 2.85Å; K217-I237 HydrophobicContact CB-CG2 4.04Å; K217-I237 HydrophobicContact CD-CG2 4.06Å
218Y98.4Very high97.5Very high10 Ų1047.8 Ų47.84%0.03924%0.237CC..Hα-helixtrans-60-45.1177.3-171-81.5000111.5I188 I190 A207 V210 A211 N214 P215 A216 D221 H222I188-Y218 HydrophobicContact CG2-CD1 3.49Å; I188-Y218 VanDerWaalsContact CG2-CD1 3.49Å; I188-Y218 HydrophobicContact CG2-CE1 3.9Å; I190-Y218 HydrophobicContact CD1-CD1 4.12Å; I190-Y218 HydrophobicContact CD1-CE1 3.46Å; I190-Y218 VanDerWaalsContact CD1-CE1 3.46Å; A207-Y218 HydrophobicContact CB-CE2 4.14Å; V210-Y218 HydrophobicContact CB-CD2 4.37Å; V210-Y218 HydrophobicContact CG1-CD2 4Å; A211-Y218 HydrophobicContact CB-CD1 4Å; A211-Y218 HydrophobicContact CB-CD2 3.77Å; A211-Y218 HydrophobicContact CB-CE1 4.47Å; A211-Y218 HydrophobicContact CB-CE2 4.26Å; A211-Y218 HydrophobicContact CB-CG 3.63Å; N214-Y218 PolarHBondContact O-N 3.27Å; N214-Y218 VanDerWaalsContact O-N 3.12Å; P215-Y218 PolarHBondContact O-N 2.92Å; A216-Y218 VanDerWaalsContact C-N 3.32Å; A216-Y218 PolarHBondContact O-N 2.6Å; Y218-D221 PolarHBondContact O-N 3.44Å; Y218-H222 AromaticContact CD1-ND1 3.75Å; Y218-H222 AromaticContact CD2-CE1 3.54Å; Y218-H222 AromaticContact CD2-ND1 3.74Å; Y218-H222 HydrophobicContact CE1-CB 4.2Å; Y218-H222 AromaticContact CE1-CG 3.82Å; Y218-H222 AromaticContact CE1-ND1 3.7Å; Y218-H222 AromaticContact CE2-CE1 3.31Å; Y218-H222 WeakPolarHBondContact CE2-CE1 3.48Å; Y218-H222 AromaticContact CE2-ND1 3.7Å; Y218-H222 AromaticContact CE2-NE2 3.69Å; Y218-H222 AromaticContact CG-ND1 3.77Å; Y218-H222 AromaticContact CZ-CD2 3.9Å; Y218-H222 AromaticContact CZ-CE1 3.63Å; Y218-H222 AromaticContact CZ-CG 3.85Å; Y218-H222 AromaticContact CZ-ND1 3.67Å; Y218-H222 AromaticContact CZ-NE2 3.76Å; Y218-H222 PolarHBondContact O-N 3.24Å; Y218-H222 VanDerWaalsContact O-N 3.08Å; Y218-H222 PolarHBondContact O-ND1 3.5Å
219L98.1Very high97.4Very high0 Ų050 Ų500%026%0.256CS..Hα-helixtrans-61.9-42.5177.1-176.269.8000111.7F165 I186 I188 P215 A216 K217 W223 A226 A227 I232 Y482F165-L219 HydrophobicContact CE1-CD2 4.03Å; I186-L219 HydrophobicContact CG2-CD2 3.87Å; I188-L219 HydrophobicContact CD1-CB 4.26Å; I188-L219 HydrophobicContact CG1-CB 4.38Å; I188-L219 HydrophobicContact CG1-CD1 4.17Å; P215-L219 WeakPolarHBondContact O-CB 3.36Å; P215-L219 PolarHBondContact O-N 3.08Å; A216-L219 PolarHBondContact O-N 2.6Å; K217-L219 VanDerWaalsContact C-N 3.34Å; K217-L219 PolarHBondContact O-N 3.34Å; L219-W223 HydrophobicContact CD1-CB 3.75Å; L219-W223 HydrophobicContact CD1-CG 4.26Å; L219-W223 CarbonylContact O-C 3.59Å; L219-W223 VanDerWaalsContact O-CA 3.23Å; L219-W223 WeakPolarHBondContact O-CA 3.45Å; L219-W223 WeakPolarHBondContact O-CB 3.45Å; L219-W223 PolarHBondContact O-N 3.05Å; L219-A226 HydrophobicContact CD1-CB 4.18Å; L219-A227 HydrophobicContact CD2-CB 4.43Å; L219-A227 HydrophobicContact CG-CB 4.21Å; L219-I232 HydrophobicContact CD2-CG1 4.16Å; L219-Y482 HydrophobicContact CD1-CE1 4.41Å
220L97.4Very high97.3Very high61 Ų6150.7 Ų50.732%0.31926%0.257SS..Hα-helixtrans-60.8-45.9175.8178.864.9000112A216 K217 H222 P224 A227 I237A216-L220 PolarHBondContact O-N 2.97Å; K217-L220 PolarHBondContact O-N 2.87Å; L220-H222 PolarHBondContact O-N 3.19Å; L220-P224 WeakPolarHBondContact O-CA 3.48Å; L220-A227 HydrophobicContact CB-CB 4.16Å; L220-A227 HydrophobicContact CD1-CB 3.98Å; L220-I237 HydrophobicContact CB-CD1 4.43Å; L220-I237 HydrophobicContact CD2-CD1 3.57Å
221D97.2Very high97.2Very high88 Ų8853.2 Ų53.247%0.47127%0.267SS..Hα-helixtrans-69.4-34.5-174.5-69.7-14.5000113.1K217 Y218K217-D221 IonicContact NZ-OD1 2.6Å; K217-D221 PolarHBondContact NZ-OD1 3.36Å; K217-D221 IonicContact NZ-OD2 3.19Å; K217-D221 PolarHBondContact NZ-OD2 3.41Å; K217-D221 WeakPolarHBondContact O-CB 3.38Å; K217-D221 PolarHBondContact O-N 2.85Å; Y218-D221 PolarHBondContact O-N 3.44Å
222H96.8Very high97Very high96 Ų9654.1 Ų54.144%0.44427%0.272SS..Hα-helixtrans-106-24.7-173-59.678.2000113.2Y218 L220Y218-H222 AromaticContact CD1-ND1 3.75Å; Y218-H222 AromaticContact CD2-CE1 3.54Å; Y218-H222 AromaticContact CD2-ND1 3.74Å; Y218-H222 HydrophobicContact CE1-CB 4.2Å; Y218-H222 AromaticContact CE1-CG 3.82Å; Y218-H222 AromaticContact CE1-ND1 3.7Å; Y218-H222 AromaticContact CE2-CE1 3.31Å; Y218-H222 WeakPolarHBondContact CE2-CE1 3.48Å; Y218-H222 AromaticContact CE2-ND1 3.7Å; Y218-H222 AromaticContact CE2-NE2 3.69Å; Y218-H222 AromaticContact CG-ND1 3.77Å; Y218-H222 AromaticContact CZ-CD2 3.9Å; Y218-H222 AromaticContact CZ-CE1 3.63Å; Y218-H222 AromaticContact CZ-CG 3.85Å; Y218-H222 AromaticContact CZ-ND1 3.67Å; Y218-H222 AromaticContact CZ-NE2 3.76Å; Y218-H222 PolarHBondContact O-N 3.24Å; Y218-H222 VanDerWaalsContact O-N 3.08Å; Y218-H222 PolarHBondContact O-ND1 3.5Å; L220-H222 PolarHBondContact O-N 3.19Å
223W96.9Very high96.8Very high29 Ų2958.4 Ų58.411%0.1130%0.295CS..  trans-139.359.7-175-58.695.5000111.4P189 L219 N225 A226 A227 Y482 F484P189-W223 HydrophobicContact CB-CH2 4.4Å; P189-W223 HydrophobicContact CB-CZ2 3.52Å; P189-W223 HydrophobicContact CG-CD2 4.27Å; P189-W223 HydrophobicContact CG-CH2 4.35Å; P189-W223 HydrophobicContact CG-CZ2 3.73Å; P189-W223 PolarHBondContact O-NE1 2.88Å; P189-W223 VanDerWaalsContact O-NE1 3.09Å; L219-W223 HydrophobicContact CD1-CB 3.75Å; L219-W223 HydrophobicContact CD1-CG 4.26Å; L219-W223 CarbonylContact O-C 3.59Å; L219-W223 VanDerWaalsContact O-CA 3.23Å; L219-W223 WeakPolarHBondContact O-CA 3.45Å; L219-W223 WeakPolarHBondContact O-CB 3.45Å; L219-W223 PolarHBondContact O-N 3.05Å; W223-N225 VanDerWaalsContact C-N 3.26Å; W223-N225 PolarHBondContact O-N 3.37Å; W223-N225 VanDerWaalsContact O-N 3.15Å; W223-A226 HydrophobicContact CB-CB 4.06Å; W223-A226 WeakPolarHBondContact O-CB 3.31Å; W223-A226 PolarHBondContact O-N 3.09Å; W223-A227 PolarHBondContact O-N 3.33Å; W223-Y482 HydrophobicContact CD2-CD1 4.03Å; W223-Y482 HydrophobicContact CD2-CE1 4.47Å; W223-Y482 AromaticContact CE3-CD1 3.73Å; W223-Y482 HydrophobicContact CE3-CD1 3.73Å; W223-Y482 HydrophobicContact CG-CD1 4.43Å; W223-Y482 HydrophobicContact CG-CE1 4.44Å; W223-Y482 HydrophobicContact CZ3-CD1 4.25Å; W223-F484 AromaticContact CH2-CD1 3.66Å; W223-F484 HydrophobicContact CH2-CD1 3.66Å; W223-F484 AromaticContact CH2-CE1 3.53Å; W223-F484 HydrophobicContact CH2-CE1 3.53Å; W223-F484 HydrophobicContact CH2-CG 4.45Å; W223-F484 HydrophobicContact CH2-CZ 4.24Å; W223-F484 HydrophobicContact CZ2-CE1 4.07Å; W223-F484 HydrophobicContact CZ3-CD1 4.33Å; W223-F484 HydrophobicContact CZ3-CE1 4.21Å
224P96.3Very high96.5Very high72 Ų7258.5 Ų58.547%0.46830%0.301SS..Hα-helixtrans-59.2-33.9-171.122.7-34.5000113.6L220 A227 K228L220-P224 WeakPolarHBondContact O-CA 3.48Å; P224-A227 PolarHBondContact O-N 3.01Å; P224-K228 WeakPolarHBondContact O-CB 3.47Å; P224-K228 PolarHBondContact O-N 3.01Å
225N95.2Very high96.3Very high101 Ų10163.5 Ų63.554%0.5432%0.321SS..Hα-helixtrans-64.1-40175.6-70.6-20.1000112.1W223 A229W223-N225 VanDerWaalsContact C-N 3.26Å; W223-N225 PolarHBondContact O-N 3.37Å; W223-N225 VanDerWaalsContact O-N 3.15Å; N225-A229 WeakPolarHBondContact O-CB 3.27Å; N225-A229 PolarHBondContact O-N 2.81Å
226A96.6Very high96Very high2 Ų266.9 Ų66.92%0.01734%0.336CS..Hα-helixtrans-71-44176.200000111L219 W223 K228 A229 Y230 V481 Y482L219-A226 HydrophobicContact CD1-CB 4.18Å; W223-A226 HydrophobicContact CB-CB 4.06Å; W223-A226 WeakPolarHBondContact O-CB 3.31Å; W223-A226 PolarHBondContact O-N 3.09Å; A226-K228 VanDerWaalsContact C-N 3.29Å; A226-K228 PolarHBondContact O-N 2.99Å; A226-A229 PolarHBondContact O-N 3.01Å; A226-A229 VanDerWaalsContact O-N 3.1Å; A226-Y230 HydrophobicContact CB-CD2 4.37Å; A226-Y230 HydrophobicContact CB-CE2 4.28Å; A226-Y230 WeakPolarHBondContact O-CD2 3.06Å; A226-Y230 PolarHBondContact O-N 3.32Å; A226-V481 HydrophobicContact CB-CG2 3.82Å; A226-Y482 HydrophobicContact CB-CD1 4.07Å; A226-Y482 HydrophobicContact CB-CE1 3.58Å; A226-Y482 HydrophobicContact CB-CE2 4.22Å
227A96.9Very high95.9Very high1 Ų167.8 Ų67.81%0.00834%0.34CS..Hα-helixtrans-55.6-45.2175.200000111.7L219 L220 W223 P224 Y230 N231 I232L219-A227 HydrophobicContact CD2-CB 4.43Å; L219-A227 HydrophobicContact CG-CB 4.21Å; L220-A227 HydrophobicContact CB-CB 4.16Å; L220-A227 HydrophobicContact CD1-CB 3.98Å; W223-A227 PolarHBondContact O-N 3.33Å; P224-A227 PolarHBondContact O-N 3.01Å; A227-Y230 PolarHBondContact O-N 3.01Å; A227-N231 PolarHBondContact O-N 2.84Å; A227-I232 HydrophobicContact CB-CB 4.22Å; A227-I232 HydrophobicContact CB-CG1 4.41Å; A227-I232 PolarHBondContact O-N 3.36Å
228K96.3Very high95.8Very high167 Ų16771.3 Ų71.373%0.72636%0.358SS*.Hα-helixtrans-62.1-45.4174.1-175.6178.4179.6178.90112.3P224 A226 Y230 N231P224-K228 WeakPolarHBondContact O-CB 3.47Å; P224-K228 PolarHBondContact O-N 3.01Å; A226-K228 VanDerWaalsContact C-N 3.29Å; A226-K228 PolarHBondContact O-N 2.99Å; K228-Y230 VanDerWaalsContact C-N 3.32Å; K228-Y230 PolarHBondContact O-N 3.09Å; K228-N231 PolarHBondContact O-N 2.84Å
229A96.7Very high95.6Very high48 Ų4875.5 Ų75.540%0.39738%0.381SS..Hα-helixtrans-66.1-32.4-177.900000113.5N225 A226 N231 V481N225-A229 WeakPolarHBondContact O-CB 3.27Å; N225-A229 PolarHBondContact O-N 2.81Å; A226-A229 PolarHBondContact O-N 3.01Å; A226-A229 VanDerWaalsContact O-N 3.1Å; A229-N231 VanDerWaalsContact C-N 3.32Å; A229-V481 HydrophobicContact CB-CB 4Å; A229-V481 HydrophobicContact CB-CG1 3.65Å; A229-V481 HydrophobicContact CB-CG2 4.15Å
230Y95.7Very high95.5Very high60 Ų6075.8 Ų75.824%0.23538%0.383CS..THydrogen-bonded Turntrans-91.612.4175.8-62-63.1000113.6I186 A226 A227 K228 I232 D480 V481 Y482I186-Y230 HydrophobicContact CB-CD2 4.44Å; I186-Y230 HydrophobicContact CD1-CD1 4.07Å; I186-Y230 HydrophobicContact CD1-CD2 4.4Å; I186-Y230 HydrophobicContact CD1-CG 3.85Å; I186-Y230 HydrophobicContact CG1-CD1 3.83Å; I186-Y230 HydrophobicContact CG1-CD2 4.14Å; I186-Y230 HydrophobicContact CG1-CE1 4.1Å; I186-Y230 HydrophobicContact CG1-CE2 4.39Å; I186-Y230 HydrophobicContact CG1-CG 3.86Å; I186-Y230 HydrophobicContact CG2-CD2 3.57Å; I186-Y230 HydrophobicContact CG2-CE2 3.74Å; I186-Y230 HydrophobicContact CG2-CG 4.12Å; A226-Y230 HydrophobicContact CB-CD2 4.37Å; A226-Y230 HydrophobicContact CB-CE2 4.28Å; A226-Y230 WeakPolarHBondContact O-CD2 3.06Å; A226-Y230 PolarHBondContact O-N 3.32Å; A227-Y230 PolarHBondContact O-N 3.01Å; K228-Y230 VanDerWaalsContact C-N 3.32Å; K228-Y230 PolarHBondContact O-N 3.09Å; Y230-I232 VanDerWaalsContact C-N 3.31Å; Y230-I232 PolarHBondContact O-N 3.02Å; Y230-D480 PolarHBondContact OH-OD2 3.45Å; Y230-V481 HydrophobicContact CE2-CG2 3.77Å; Y230-Y482 HydrophobicContact CE2-CE2 4.03Å; Y230-Y482 WeakPolarHBondContact CE2-OH 3.27Å
231N95.4Very high95.5Very high136 Ų13675.4 Ų75.473%0.72738%0.383SS*.THydrogen-bonded Turntrans5442.9178.4-53.5-59.4000113.5A227 K228 A229 D233A227-N231 PolarHBondContact O-N 2.84Å; K228-N231 PolarHBondContact O-N 2.84Å; A229-N231 VanDerWaalsContact C-N 3.32Å; N231-D233 PolarHBondContact O-N 3.19Å
232I95.4Very high95.4Very high19 Ų1972.2 Ų72.210%0.09737%0.368CS..  trans-76.3105.5172.5-54.6-54.7000108.3F165 A216 L219 A227 Y230 F236 I237F165-I232 HydrophobicContact CE1-CD1 4.23Å; F165-I232 HydrophobicContact CZ-CD1 3.89Å; A216-I232 HydrophobicContact CB-CG2 3.83Å; L219-I232 HydrophobicContact CD2-CG1 4.16Å; A227-I232 HydrophobicContact CB-CB 4.22Å; A227-I232 HydrophobicContact CB-CG1 4.41Å; A227-I232 PolarHBondContact O-N 3.36Å; Y230-I232 VanDerWaalsContact C-N 3.31Å; Y230-I232 PolarHBondContact O-N 3.02Å; I232-F236 HydrophobicContact CD1-CD1 4.15Å; I232-F236 HydrophobicContact CD1-CE1 4.2Å; I232-F236 HydrophobicContact CD1-CG 4.35Å; I232-F236 HydrophobicContact CD1-CZ 4.38Å; I232-F236 HydrophobicContact CG2-CD1 4.2Å; I232-I237 HydrophobicContact CG2-CD1 4.25Å; I232-I237 HydrophobicContact CG2-CG1 3.87Å
233D93.1Very high95.4Very high90 Ų9070.6 Ų70.648%0.48136%0.362SS..  trans-102172.8178.966.911.5000112.3N231 K235 F236 I237N231-D233 PolarHBondContact O-N 3.19Å; D233-K235 PolarHBondContact O-N 2.84Å; D233-K235 PolarHBondContact OD1-N 3.27Å; D233-F236 WeakPolarHBondContact O-CB 3.47Å; D233-F236 PolarHBondContact O-N 3.17Å; D233-F236 VanDerWaalsContact O-N 3.11Å; D233-F236 VanDerWaalsContact OD1-CB 3.29Å; D233-F236 WeakPolarHBondContact OD1-CB 3.43Å; D233-F236 PolarHBondContact OD1-N 3.21Å; D233-I237 WeakPolarHBondContact O-CG1 3.19Å; D233-I237 PolarHBondContact O-N 2.65Å
234D93.1Very high95.4Very high121 Ų12169.5 Ų69.565%0.64736%0.359SS*.Hα-helixtrans-58.1-37.5-179-65.5-30.6000111.9F236 I237 E238D234-F236 PolarHBondContact O-N 3.31Å; D234-I237 WeakPolarHBondContact O-CB 3.49Å; D234-I237 PolarHBondContact O-N 3.11Å; D234-E238 WeakPolarHBondContact O-CG 3.4Å; D234-E238 PolarHBondContact O-N 3.1Å
235K92.6Very high95.5Very high148 Ų14866 Ų6664%0.64334%0.337SS*.Hα-helixtrans-65.3-40177.8-175-179.3178.8-178.20111.7D233 I237 N239D233-K235 PolarHBondContact O-N 2.84Å; D233-K235 PolarHBondContact OD1-N 3.27Å; K235-I237 VanDerWaalsContact C-N 3.34Å; K235-N239 PolarHBondContact O-N 3.48Å; K235-N239 PolarHBondContact O-ND2 2.95Å
236F93Very high95.7Very high71 Ų7161.2 Ų61.231%0.31131%0.311SS..Hα-helixtrans-63.2-44.6174.2-167.1-71.5000109.9F165 A216 I232 D233 D234 E238 N239 S240F165-F236 AromaticContact CE2-CE1 3.52Å; F165-F236 HydrophobicContact CE2-CE1 3.52Å; F165-F236 AromaticContact CE2-CZ 3.67Å; F165-F236 HydrophobicContact CE2-CZ 3.67Å; F165-F236 AromaticContact CZ-CE1 3.56Å; F165-F236 HydrophobicContact CZ-CE1 3.56Å; F165-F236 AromaticContact CZ-CZ 3.74Å; F165-F236 HydrophobicContact CZ-CZ 3.74Å; A216-F236 HydrophobicContact CB-CD1 3.47Å; A216-F236 VanDerWaalsContact CB-CD1 3.47Å; A216-F236 HydrophobicContact CB-CE1 3.71Å; I232-F236 HydrophobicContact CD1-CD1 4.15Å; I232-F236 HydrophobicContact CD1-CE1 4.2Å; I232-F236 HydrophobicContact CD1-CG 4.35Å; I232-F236 HydrophobicContact CD1-CZ 4.38Å; I232-F236 HydrophobicContact CG2-CD1 4.2Å; D233-F236 WeakPolarHBondContact O-CB 3.47Å; D233-F236 PolarHBondContact O-N 3.17Å; D233-F236 VanDerWaalsContact O-N 3.11Å; D233-F236 VanDerWaalsContact OD1-CB 3.29Å; D233-F236 WeakPolarHBondContact OD1-CB 3.43Å; D233-F236 PolarHBondContact OD1-N 3.21Å; D234-F236 PolarHBondContact O-N 3.31Å; F236-E238 PolarHBondContact O-N 2.73Å; F236-N239 PolarHBondContact O-N 3.39Å; F236-S240 WeakPolarHBondContact O-CB 3.3Å; F236-S240 PolarHBondContact O-N 3.37Å
237I95.1Very high95.8Very high19 Ų1961.1 Ų61.110%0.09731%0.31CS..Hα-helixtrans-61.7-44.7-179.4-69.4166.5000112.1N214 A216 K217 L220 I232 D233 D234 K235 N239 S240N214-I237 PolarHBondContact ND2-O 3.41Å; A216-I237 HydrophobicContact CB-CG1 3.9Å; K217-I237 HydrophobicContact CB-CG2 4.04Å; K217-I237 HydrophobicContact CD-CG2 4.06Å; L220-I237 HydrophobicContact CB-CD1 4.43Å; L220-I237 HydrophobicContact CD2-CD1 3.57Å; I232-I237 HydrophobicContact CG2-CD1 4.25Å; I232-I237 HydrophobicContact CG2-CG1 3.87Å; D233-I237 WeakPolarHBondContact O-CG1 3.19Å; D233-I237 PolarHBondContact O-N 2.65Å; D234-I237 WeakPolarHBondContact O-CB 3.49Å; D234-I237 PolarHBondContact O-N 3.11Å; K235-I237 VanDerWaalsContact C-N 3.34Å; I237-N239 PolarHBondContact O-N 3.38Å; I237-S240 PolarHBondContact O-N 2.68Å
238E95.1Very high95.9Very high158 Ų15861.1 Ų61.174%0.73831%0.31SS*.Hα-helixtrans-60.5-30.6179.2-75.7175.1178.100113D234 F236D234-E238 WeakPolarHBondContact O-CG 3.4Å; D234-E238 PolarHBondContact O-N 3.1Å; F236-E238 PolarHBondContact O-N 2.73Å
239N94.1Very high96Very high99 Ų9953.1 Ų53.153%0.52928%0.275SS..Hα-helixtrans-103.4-2.2-176.3-65.4-65.8000113.9K235 F236 I237 T241K235-N239 PolarHBondContact O-N 3.48Å; K235-N239 PolarHBondContact O-ND2 2.95Å; F236-N239 PolarHBondContact O-N 3.39Å; I237-N239 PolarHBondContact O-N 3.38Å; N239-T241 PolarHBondContact O-N 2.99Å
240S96.6Very high96.1Very high5 Ų550.9 Ų50.94%0.03526%0.256CS..  trans-77.8128.6-171.8-166.90000112P215 F236 I237 D244P215-S240 WeakPolarHBondContact CD-OG 3.4Å; P215-S240 VanDerWaalsContact CG-OG 3.31Å; P215-S240 WeakPolarHBondContact CG-OG 3.38Å; F236-S240 WeakPolarHBondContact O-CB 3.3Å; F236-S240 PolarHBondContact O-N 3.37Å; I237-S240 PolarHBondContact O-N 2.68Å; S240-D244 WeakPolarHBondContact CA-OD2 3.46Å; S240-D244 PolarHBondContact OG-OD2 3.45Å
241T96.6Very high96.2Very high53 Ų5348 Ų4833%0.32525%0.245SC..  trans-136.9-178.7-178.571.70000111.1R162 N239 D243 D244R162-T241 PolarHBondContact NH2-OG1 3.41Å; N239-T241 PolarHBondContact O-N 2.99Å; T241-D243 PolarHBondContact O-N 3.24Å; T241-D243 VanDerWaalsContact O-N 3.09Å; T241-D243 PolarHBondContact OG1-N 3.25Å; T241-D244 PolarHBondContact N-OD2 2.82Å; T241-D244 PolarHBondContact O-N 3.08Å; T241-D244 VanDerWaalsContact O-N 3.08Å
242S96.5Very high96.3Very high21 Ų2141.5 Ų41.515%0.14721%0.21CC..G310 helixtrans-59.3-20.3176.559.30000113.8R159 L212 D244 I245 Y273R159-S242 PolarHBondContact NH2-O 2.94Å; L212-S242 WeakPolarHBondContact O-CB 3.36Å; L212-S242 PolarHBondContact O-N 2.98Å; S242-D244 PolarHBondContact O-N 2.97Å; S242-I245 WeakPolarHBondContact O-CB 3.41Å; S242-I245 PolarHBondContact O-N 3.49Å; S242-I245 VanDerWaalsContact O-N 3.14Å; S242-Y273 PolarHBondContact OG-O 3.24Å
243D95.9Very high96.1Very high62 Ų6240.7 Ų40.733%0.33221%0.206SC..G310 helixtrans-63.7-23.6174.6-73.7-20.3000113.9R159 P160 R162 A163 T241 I245R159-D243 VanDerWaalsContact NH2-CA 3.28Å; R159-D243 PolarHBondContact NH2-O 3.02Å; P160-D243 HydrophobicContact CG-CB 4.25Å; R162-D243 IonicContact CZ-OD2 3.93Å; R162-D243 IonicContact NH2-OD2 3.69Å; R162-D243 PolarHBondContact NH2-OD2 2.98Å; A163-D243 WeakPolarHBondContact CB-O 3.45Å; T241-D243 PolarHBondContact O-N 3.24Å; T241-D243 VanDerWaalsContact O-N 3.09Å; T241-D243 PolarHBondContact OG1-N 3.25Å; D243-I245 PolarHBondContact O-N 2.83Å
244D97.5Very high96.2Very high6 Ų636.4 Ų36.43%0.03218%0.183CC..G310 helixtrans-79.1-5.4177.5-55.7-47.2000112.3R162 A163 N164 F165 P215 S240 T241 S242R162-D244 WeakPolarHBondContact CD-OD1 3.46Å; R162-D244 WeakPolarHBondContact CG-OD1 3.24Å; R162-D244 IonicContact CZ-OD1 3.84Å; R162-D244 IonicContact NE-OD1 3.14Å; R162-D244 PolarHBondContact NE-OD1 3.09Å; R162-D244 VanDerWaalsContact NH1-CG 3.32Å; R162-D244 IonicContact NH1-OD1 2.79Å; R162-D244 PolarHBondContact NH1-OD1 3.05Å; R162-D244 IonicContact NH1-OD2 2.9Å; R162-D244 PolarHBondContact NH1-OD2 3.03Å; A163-D244 CarbonylContact C-O 3.37Å; A163-D244 WeakPolarHBondContact CA-O 3.45Å; N164-D244 PolarHBondContact N-O 2.95Å; F165-D244 HydrophobicContact CD2-CB 3.65Å; F165-D244 WeakPolarHBondContact CD2-O 3.23Å; F165-D244 HydrophobicContact CE2-CB 3.84Å; F165-D244 PolarHBondContact N-O 3.15Å; P215-D244 HydrophobicContact CG-CB 4.32Å; S240-D244 WeakPolarHBondContact CA-OD2 3.46Å; S240-D244 PolarHBondContact OG-OD2 3.45Å; T241-D244 PolarHBondContact N-OD2 2.82Å; T241-D244 PolarHBondContact O-N 3.08Å; T241-D244 VanDerWaalsContact O-N 3.08Å; S242-D244 PolarHBondContact O-N 2.97Å
245I98.4Very high96.4Very high0 Ų032.9 Ų32.90%016%0.162CC..EExtended strand (participates in β ladder)trans-97.9124.9-176.1-53.9172.4000109.5R159 F165 L167 L212 P215 S242 D243 V275R159-I245 VanDerWaalsContact CZ-O 3.22Å; R159-I245 PolarHBondContact NE-O 2.85Å; R159-I245 PolarHBondContact NH2-O 3.18Å; F165-I245 HydrophobicContact CB-CG1 4.39Å; F165-I245 CarbonylContact O-C 3.34Å; L167-I245 HydrophobicContact CD1-CD1 3.87Å; L167-I245 HydrophobicContact CD2-CD1 4.32Å; L167-I245 HydrophobicContact CG-CD1 4.07Å; L167-I245 HydrophobicContact CG-CG2 3.99Å; L212-I245 HydrophobicContact CD2-CD1 3.86Å; P215-I245 HydrophobicContact CB-CD1 4.1Å; P215-I245 HydrophobicContact CB-CG1 4Å; P215-I245 HydrophobicContact CG-CD1 4.04Å; P215-I245 HydrophobicContact CG-CG1 3.81Å; S242-I245 WeakPolarHBondContact O-CB 3.41Å; S242-I245 PolarHBondContact O-N 3.49Å; S242-I245 VanDerWaalsContact O-N 3.14Å; D243-I245 PolarHBondContact O-N 2.83Å; I245-V275 HydrophobicContact CB-CG1 4.17Å; I245-V275 HydrophobicContact CB-CG2 4.32Å; I245-V275 HydrophobicContact CG2-CG1 3.62Å
246V98.4Very high96.6Very high0 Ų025.9 Ų25.90%013%0.132CC..EExtended strand (participates in β ladder)trans-71.5-53.2174175.70000110.5M155 K156 A163 F165 V166 L185 S276M155-V246 HydrophobicContact CB-CG1 3.9Å; K156-V246 HydrophobicContact CB-CG1 4.25Å; K156-V246 HydrophobicContact CB-CG2 4.3Å; K156-V246 HydrophobicContact CG-CG2 4.22Å; A163-V246 HydrophobicContact CB-CG2 3.9Å; F165-V246 PolarHBondContact O-N 3.29Å; V166-V246 HydrophobicContact CG2-CB 4.34Å; L185-V246 HydrophobicContact CD1-CB 4.49Å; L185-V246 HydrophobicContact CD1-CG1 4.37Å; L185-V246 HydrophobicContact CD1-CG2 4.3Å; L185-V246 HydrophobicContact CD2-CG2 3.74Å; V246-S276 WeakPolarHBondContact O-CB 3.46Å
247C98.7Very high96.8Very high0 Ų022.9 Ų22.90%012%0.12CC..EExtended strand (participates in β ladder)trans-158.1162.8177.664.90000112.5L152 M155 L167 S276L152-C247 VanDerWaalsContact CD2-SG 3.57Å; M155-C247 HydrophobicContact SD-CB 4.02Å; L167-C247 PolarHBondContact N-O 3.1Å; L167-C247 VanDerWaalsContact N-O 3.13Å; C247-S276 CarbonylContact C-O 3.57Å; C247-S276 WeakPolarHBondContact CA-O 3.45Å; C247-S276 WeakPolarHBondContact CB-O 3.42Å
248I98.8Very high96.9Very high0 Ų022 Ų220%012%0.115CC..EExtended strand (participates in β ladder)trans-83.6128.7154.7-50.4-174.7000107.9L167 L208 L212 T250 I266 C270 V275 S276 H277 L278L167-I248 HydrophobicContact CB-CG1 4.46Å; L167-I248 HydrophobicContact CD1-CG1 4.46Å; L167-I248 CarbonylContact O-C 3.05Å; L167-I248 WeakPolarHBondContact O-CA 3.2Å; L208-I248 HydrophobicContact CD2-CG2 3.87Å; L212-I248 HydrophobicContact CD1-CD1 3.92Å; L212-I248 HydrophobicContact CD2-CD1 4.03Å; L212-I248 HydrophobicContact CD2-CG1 4.3Å; L212-I248 HydrophobicContact CG-CD1 4.35Å; I248-T250 HydrophobicContact CG2-CG2 4.07Å; I248-I266 HydrophobicContact CB-CG2 4.27Å; I248-I266 HydrophobicContact CD1-CG2 3.98Å; I248-I266 HydrophobicContact CG2-CG2 3.71Å; I248-C270 WeakPolarHBondContact CD1-SG 3.3Å; I248-V275 HydrophobicContact CG1-CG1 4.24Å; I248-S276 PolarHBondContact N-O 2.8Å; I248-H277 PolarHBondContact O-CD2 3.19Å; I248-L278 PolarHBondContact O-N 3Å
249F98.8Very high97Very high0 Ų014.8 Ų14.80%08%0.082CC..EExtended strand (participates in β ladder)trans-111.8106.8-178-174.9-158.6000110.8L148 V166 L167 W168 S169 C176 M180 L278 N280L148-F249 HydrophobicContact CD1-CE2 4.4Å; L148-F249 HydrophobicContact CD1-CZ 3.79Å; L148-F249 HydrophobicContact CD2-CE2 3.67Å; L148-F249 HydrophobicContact CD2-CZ 3.8Å; L148-F249 HydrophobicContact CG-CZ 4.28Å; V166-F249 HydrophobicContact CG1-CB 3.56Å; V166-F249 HydrophobicContact CG1-CD1 4.33Å; V166-F249 HydrophobicContact CG1-CG 4.39Å; L167-F249 PolarHBondContact O-N 2.89Å; W168-F249 AromaticContact CD1-CD1 3.38Å; W168-F249 AromaticContact CD1-CE1 3.93Å; W168-F249 AromaticContact CD1-CG 3.87Å; W168-F249 HydrophobicContact CG-CD1 4.28Å; S169-F249 PolarHBondContact N-O 3.43Å; S169-F249 VanDerWaalsContact N-O 3.11Å; C176-F249 HydrophobicContact CB-CE1 4.21Å; C176-F249 HydrophobicContact CB-CZ 4.11Å; C176-F249 WeakPolarHBondContact O-CE1 3.43Å; M180-F249 HydrophobicContact CE-CD1 4.29Å; M180-F249 HydrophobicContact CG-CD1 4.08Å; M180-F249 HydrophobicContact CG-CE1 4.36Å; M180-F249 HydrophobicContact SD-CD1 3.84Å; F249-L278 WeakPolarHBondContact CA-O 3.34Å; F249-L278 HydrophobicContact CD2-CB 4.04Å; F249-L278 HydrophobicContact CD2-CD2 4.01Å; F249-L278 HydrophobicContact CD2-CG 3.87Å; F249-L278 WeakPolarHBondContact CD2-O 3.25Å; F249-L278 HydrophobicContact CE2-CD2 4.07Å; F249-L278 HydrophobicContact CE2-CG 4.03Å; F249-L278 HydrophobicContact CG-CD2 4.49Å; F249-N280 HydrophobicContact CE2-CB 3.62Å; F249-N280 HydrophobicContact CZ-CB 3.99Å
250T98.8Very high97.2Very high0 Ų011 Ų110%06%0.062CC..EExtended strand (participates in β ladder)trans-109.3167.1-175.159.60000111.8I248 D261 L263 I266 H277 L278 N280I248-T250 HydrophobicContact CG2-CG2 4.07Å; T250-D261 WeakPolarHBondContact CA-OD2 3.15Å; T250-D261 WeakPolarHBondContact CB-OD2 3.36Å; T250-D261 HydrophobicContact CG2-CB 4.25Å; T250-L263 HydrophobicContact CG2-CD2 4.31Å; T250-L263 VanDerWaalsContact OG1-CD2 3.22Å; T250-L263 WeakPolarHBondContact OG1-CD2 3.29Å; T250-I266 HydrophobicContact CG2-CB 4.46Å; T250-I266 HydrophobicContact CG2-CD1 3.56Å; T250-I266 HydrophobicContact CG2-CG2 3.85Å; T250-H277 VanDerWaalsContact CG2-NE2 3.27Å; T250-H277 WeakPolarHBondContact CG2-NE2 3.31Å; T250-H277 PolarHBondContact OG1-NE2 3.07Å; T250-L278 PolarHBondContact N-O 2.74Å; T250-L278 PolarHBondContact OG1-O 2.96Å; T250-N280 WeakPolarHBondContact O-CB 3.46Å; T250-N280 PolarHBondContact O-N 3.23Å
251T98.7Very high97.3Very high0 Ų011 Ų110%06%0.062CC..EExtended strand (participates in β ladder)trans-136130.6177.6-57.50000110.7I171 R258 D261 N280I171-T251 HydrophobicContact CD1-CG2 3.68Å; T251-R258 PolarHBondContact O-NH1 3.03Å; T251-R258 VanDerWaalsContact O-NH1 3.13Å; T251-D261 PolarHBondContact N-OD2 3.46Å; T251-D261 PolarHBondContact O-N 3.02Å; T251-N280 WeakPolarHBondContact CA-O 3.32Å; T251-N280 HydrophobicContact CG2-CB 4.22Å; T251-N280 PolarHBondContact OG1-ND2 2.95Å
252T98Very high97.3Very high0 Ų013.2 Ų13.20%07%0.067CC..SBendtrans-77.8-96.4170.954.70000109.8C254 P260 L263 I279 N280 N281 C290 I294T252-C254 PolarHBondContact O-N 2.72Å; T252-C254 PolarHBondContact O-SG 3.04Å; T252-C254 VanDerWaalsContact O-SG 3.32Å; T252-P260 WeakPolarHBondContact O-CA 3.49Å; T252-L263 HydrophobicContact CG2-CD1 3.68Å; T252-L263 HydrophobicContact CG2-CG 4.46Å; T252-I279 HydrophobicContact CG2-CG2 3.92Å; T252-N280 PolarHBondContact N-O 3.44Å; T252-N280 PolarHBondContact OG1-O 3.18Å; T252-N281 WeakPolarHBondContact OG1-CA 3.37Å; T252-N281 PolarHBondContact OG1-OD1 3.11Å; T252-C290 HydrophobicContact CG2-CB 4.37Å; T252-I294 HydrophobicContact CG2-CD1 4.19Å; T252-I294 HydrophobicContact CG2-CG1 4.22Å
253N90.1Very high97.4Very high2 Ų212.3 Ų12.31%0.0116%0.061CC..SBendtrans-71129.5-173.8-62.962.5000110.6Y283 G284 C290 I413N253-Y283 VanDerWaalsContact C-CZ 3.48Å; N253-Y283 HydrophobicContact CB-CD1 4.47Å; N253-Y283 HydrophobicContact CB-CD2 3.53Å; N253-Y283 HydrophobicContact CB-CE1 4.32Å; N253-Y283 HydrophobicContact CB-CE2 3.38Å; N253-Y283 HydrophobicContact CB-CG 4.1Å; N253-Y283 WeakPolarHBondContact O-CE1 3.43Å; N253-Y283 PolarHBondContact O-OH 3.14Å; N253-G284 VanDerWaalsContact CG-CA 3.44Å; N253-G284 WeakPolarHBondContact OD1-CA 3.35Å; N253-C290 VanDerWaalsContact OD1-CB 3.25Å; N253-C290 WeakPolarHBondContact OD1-CB 3.32Å; N253-C290 PolarHBondContact OD1-SG 2.85Å; N253-I413 WeakPolarHBondContact ND2-CD1 3.35Å
254C95.8Very high97.5Very high0 Ų012.6 Ų12.60%06%0.06CC..  trans-146.4171.3-173.647.50000109.2I171 T252 R258 V259 Y283 N411I171-C254 HydrophobicContact CD1-CB 3.5Å; I171-C254 HydrophobicContact CG1-CB 4.39Å; T252-C254 PolarHBondContact O-N 2.72Å; T252-C254 PolarHBondContact O-SG 3.04Å; T252-C254 VanDerWaalsContact O-SG 3.32Å; C254-R258 HydrophobicContact CB-CB 4.34Å; C254-R258 HydrophobicContact CB-CG 4.15Å; C254-R258 VanDerWaalsContact SG-C 3.52Å; C254-R258 VanDerWaalsContact SG-CG 3.54Å; C254-R258 PolarHBondContact SG-NH1 3.13Å; C254-R258 VanDerWaalsContact SG-NH1 3.4Å; C254-R258 PolarHBondContact SG-O 3.11Å; C254-R258 VanDerWaalsContact SG-O 3.38Å; C254-V259 PolarHBondContact SG-O 3.24Å; C254-V259 VanDerWaalsContact SG-O 3.38Å; C254-Y283 WeakPolarHBondContact CA-OH 3.35Å; C254-Y283 PolarHBondContact N-OH 3.41Å; C254-Y283 VanDerWaalsContact N-OH 3.13Å; C254-Y283 PolarHBondContact O-OH 2.82Å; C254-N411 PolarHBondContact O-ND2 2.54Å
255F96.9Very high97.6Very high47 Ų4713.8 Ų13.821%0.2067%0.07CC..  trans-79.3136.5176.3-53-79.2000109.5R258 H490F255-R258 WeakPolarHBondContact O-CB 3.29Å; F255-R258 PolarHBondContact O-N 2.85Å; F255-H490 PolarHBondContact O-CD2 3.03Å; F255-H490 PolarHBondContact O-NE2 3.14Å
256A97Very high97.6Very high0 Ų013.8 Ų13.80%07%0.07CC..THydrogen-bonded Turntrans-58.5148.4173.200000110.3T408 S414 A416 Y498 N500A256-T408 HydrophobicContact CB-CG2 4.15Å; A256-S414 PolarHBondContact N-OG 3.49Å; A256-A416 HydrophobicContact CB-CB 3.82Å; A256-Y498 WeakPolarHBondContact O-CE2 3.47Å; A256-N500 PolarHBondContact O-ND2 3.22Å; A256-N500 PolarHBondContact O-OD1 3.27Å
257P96.3Very high97.6Very high9 Ų913.8 Ų13.86%0.0587%0.07CC..THydrogen-bonded Turncis-83.90.28.632.3-34.1000115D199 Q200 L201 L406 T408 Y498D199-P257 VanDerWaalsContact O-CB 3.28Å; D199-P257 WeakPolarHBondContact O-CB 3.15Å; Q200-P257 WeakPolarHBondContact CA-O 3.26Å; L201-P257 HydrophobicContact CD1-CG 3.9Å; L201-P257 HydrophobicContact CG-CB 4.49Å; L201-P257 HydrophobicContact CG-CG 4.08Å; L201-P257 PolarHBondContact N-O 3.32Å; P257-L406 HydrophobicContact CB-CD1 4.35Å; P257-T408 HydrophobicContact CB-CG2 4.08Å; P257-Y498 VanDerWaalsContact CD-CZ 3.41Å; P257-Y498 WeakPolarHBondContact CD-OH 3.32Å
258R97.5Very high97.6Very high0 Ų019.1 Ų19.10%09%0.094CC..BIsolated β-bridgetrans-63.6142.9172-172.5-176.1-170.2-74.56.7110.2S169 R170 L192 L201 T251 C254 F255 D261 N411 H490S169-R258 PolarHBondContact O-NH2 2.94Å; S169-R258 PolarHBondContact OG-NH2 3.5Å; R170-R258 PolarHBondContact O-NE 3.49Å; L192-R258 HydrophobicContact CD1-CB 4.18Å; L192-R258 HydrophobicContact CD1-CG 3.64Å; L201-R258 HydrophobicContact CB-CB 4.45Å; L201-R258 WeakPolarHBondContact O-CA 3.03Å; T251-R258 PolarHBondContact O-NH1 3.03Å; T251-R258 VanDerWaalsContact O-NH1 3.13Å; C254-R258 HydrophobicContact CB-CB 4.34Å; C254-R258 HydrophobicContact CB-CG 4.15Å; C254-R258 VanDerWaalsContact SG-C 3.52Å; C254-R258 VanDerWaalsContact SG-CG 3.54Å; C254-R258 PolarHBondContact SG-NH1 3.13Å; C254-R258 VanDerWaalsContact SG-NH1 3.4Å; C254-R258 PolarHBondContact SG-O 3.11Å; C254-R258 VanDerWaalsContact SG-O 3.38Å; F255-R258 WeakPolarHBondContact O-CB 3.29Å; F255-R258 PolarHBondContact O-N 2.85Å; R258-D261 IonicContact CZ-OD2 2.87Å; R258-D261 IonicContact NH1-OD2 2.72Å; R258-D261 VanDerWaalsContact NH2-CG 3.34Å; R258-D261 IonicContact NH2-OD1 3.26Å; R258-D261 PolarHBondContact NH2-OD1 2.75Å; R258-D261 IonicContact NH2-OD2 2.77Å; R258-D261 PolarHBondContact NH2-OD2 3.1Å; R258-N411 PolarHBondContact O-ND2 3.03Å; R258-H490 HydrophobicContact CB-CB 4.31Å; R258-H490 VanDerWaalsContact CB-CD2 3.43Å; R258-H490 WeakPolarHBondContact CB-CD2 3.18Å
259V97.3Very high97.5Very high6 Ų620 Ų204%0.03610%0.098CC..  trans-115.7163.6175.5-61.20000110.6Q200 L201 C254 D261 N411Q200-V259 HydrophobicContact CB-CG1 3.77Å; Q200-V259 HydrophobicContact CB-CG2 4.33Å; Q200-V259 HydrophobicContact CG-CG1 3.59Å; L201-V259 PolarHBondContact O-N 3.44Å; L201-V259 VanDerWaalsContact O-N 3.14Å; C254-V259 PolarHBondContact SG-O 3.24Å; C254-V259 VanDerWaalsContact SG-O 3.38Å; V259-D261 PolarHBondContact O-N 3.14Å; V259-N411 HydrophobicContact CG1-CB 4.23Å
260P98.1Very high97.5Very high20 Ų2020 Ų2013%0.1310%0.098CC..  trans-50135.8172.4-28.536.5000112.8T252 S410T252-P260 WeakPolarHBondContact O-CA 3.49Å; P260-S410 VanDerWaalsContact CD-O 3.3Å; P260-S410 WeakPolarHBondContact CD-O 3.4Å
261D98.5Very high97.4Very high4 Ų422 Ų222%0.02111%0.108CC..  trans-57.9150.8178.9-82.1-53.9000111.4S169 S203 T250 T251 R258 V259 L263 I266S169-D261 WeakPolarHBondContact CB-OD1 3.26Å; S169-D261 WeakPolarHBondContact CB-OD2 3.39Å; S169-D261 PolarHBondContact OG-OD1 3.23Å; S169-D261 PolarHBondContact OG-OD2 3.1Å; S203-D261 WeakPolarHBondContact CB-OD1 3.37Å; S203-D261 WeakPolarHBondContact OG-CA 3.3Å; S203-D261 WeakPolarHBondContact OG-CB 3.24Å; S203-D261 PolarHBondContact OG-OD1 2.77Å; T250-D261 WeakPolarHBondContact CA-OD2 3.15Å; T250-D261 WeakPolarHBondContact CB-OD2 3.36Å; T250-D261 HydrophobicContact CG2-CB 4.25Å; T251-D261 PolarHBondContact N-OD2 3.46Å; T251-D261 PolarHBondContact O-N 3.02Å; R258-D261 IonicContact CZ-OD2 2.87Å; R258-D261 IonicContact NH1-OD2 2.72Å; R258-D261 VanDerWaalsContact NH2-CG 3.34Å; R258-D261 IonicContact NH2-OD1 3.26Å; R258-D261 PolarHBondContact NH2-OD1 2.75Å; R258-D261 IonicContact NH2-OD2 2.77Å; R258-D261 PolarHBondContact NH2-OD2 3.1Å; V259-D261 PolarHBondContact O-N 3.14Å; D261-L263 HydrophobicContact CB-CD2 4.1Å; D261-L263 PolarHBondContact O-N 2.96Å; D261-I266 HydrophobicContact CB-CD1 3.95Å
262K97.5Very high97.3Very high101 Ų10128 Ų2844%0.43914%0.135SC..  trans-73.565.4177.9-64.9178.2179.8173.10111S203 L205 H264 A265 I266S203-K262 PolarHBondContact OG-N 3.06Å; L205-K262 HydrophobicContact CD1-CD 4.44Å; K262-H264 VanDerWaalsContact C-N 3.31Å; K262-H264 PolarHBondContact O-N 2.91Å; K262-H264 VanDerWaalsContact O-N 3.15Å; K262-A265 HydrophobicContact CB-CB 4.21Å; K262-A265 PolarHBondContact O-N 2.89Å; K262-I266 PolarHBondContact O-N 2.67Å
263L98.5Very high97.2Very high2 Ų230 Ų301%0.0114%0.142CC..Hα-helixtrans-51.9-43.3-168.1-64.9-173.3000113.8T250 T252 D261 A265 I266 T267 I279 I294 A297T250-L263 HydrophobicContact CG2-CD2 4.31Å; T250-L263 VanDerWaalsContact OG1-CD2 3.22Å; T250-L263 WeakPolarHBondContact OG1-CD2 3.29Å; T252-L263 HydrophobicContact CG2-CD1 3.68Å; T252-L263 HydrophobicContact CG2-CG 4.46Å; D261-L263 HydrophobicContact CB-CD2 4.1Å; D261-L263 PolarHBondContact O-N 2.96Å; L263-A265 PolarHBondContact O-N 3.41Å; L263-I266 PolarHBondContact O-N 2.98Å; L263-T267 VanDerWaalsContact O-CB 3.25Å; L263-T267 WeakPolarHBondContact O-CB 3.16Å; L263-T267 PolarHBondContact O-N 3.3Å; L263-T267 PolarHBondContact O-OG1 3.4Å; L263-I279 HydrophobicContact CD1-CD1 3.88Å; L263-I279 HydrophobicContact CD1-CG1 4.5Å; L263-I279 HydrophobicContact CD1-CG2 4.18Å; L263-I279 HydrophobicContact CD2-CD1 4.22Å; L263-I279 HydrophobicContact CD2-CG1 4.1Å; L263-I279 HydrophobicContact CD2-CG2 4.27Å; L263-I294 HydrophobicContact CD1-CG1 3.7Å; L263-A297 HydrophobicContact CB-CB 4.27Å
264H98.3Very high97.5Very high67 Ų6731.4 Ų31.431%0.3116%0.157SC..Hα-helixtrans-61.1-44.5178.2-176.795.1000112K262 T267 K268 S296 L300K262-H264 VanDerWaalsContact C-N 3.31Å; K262-H264 PolarHBondContact O-N 2.91Å; K262-H264 VanDerWaalsContact O-N 3.15Å; H264-T267 PolarHBondContact O-N 3.48Å; H264-K268 WeakPolarHBondContact NE2-CE 3.35Å; H264-K268 PolarHBondContact NE2-NZ 3.38Å; H264-K268 PolarHBondContact O-N 3.44Å; H264-S296 PolarHBondContact ND1-OG 3.18Å; H264-L300 VanDerWaalsContact CE1-CD1 3.5Å; H264-L300 WeakPolarHBondContact CE1-CD1 3.26Å; H264-L300 WeakPolarHBondContact ND1-CD1 3.45Å; H264-L300 WeakPolarHBondContact O-CD1 3.15Å
265A98.4Very high97.5Very high31 Ų3131.4 Ų31.426%0.25616%0.157SC..Hα-helixtrans-70.1-42.5179.400000111.9L205 K262 L263 T267 K268 L269L205-A265 HydrophobicContact CD1-CB 3.75Å; L205-A265 HydrophobicContact CD2-CB 4.11Å; K262-A265 HydrophobicContact CB-CB 4.21Å; K262-A265 PolarHBondContact O-N 2.89Å; L263-A265 PolarHBondContact O-N 3.41Å; A265-T267 VanDerWaalsContact C-N 3.31Å; A265-T267 PolarHBondContact O-N 2.95Å; A265-K268 WeakPolarHBondContact O-CB 3.38Å; A265-K268 PolarHBondContact O-N 2.9Å; A265-L269 PolarHBondContact O-N 3.21Å
266I98.8Very high97.6Very high0 Ų029.4 Ų29.40%015%0.149CC..Hα-helixtrans-63.8-38.9176.4-63.5173.4000110.7L205 L208 I248 T250 D261 K262 L263 K268 L269 C270L205-I266 HydrophobicContact CD2-CD1 4.49Å; L205-I266 HydrophobicContact CD2-CG1 3.56Å; L208-I266 HydrophobicContact CD1-CD1 4.03Å; L208-I266 HydrophobicContact CD1-CG1 3.98Å; I248-I266 HydrophobicContact CB-CG2 4.27Å; I248-I266 HydrophobicContact CD1-CG2 3.98Å; I248-I266 HydrophobicContact CG2-CG2 3.71Å; T250-I266 HydrophobicContact CG2-CB 4.46Å; T250-I266 HydrophobicContact CG2-CD1 3.56Å; T250-I266 HydrophobicContact CG2-CG2 3.85Å; D261-I266 HydrophobicContact CB-CD1 3.95Å; K262-I266 PolarHBondContact O-N 2.67Å; L263-I266 PolarHBondContact O-N 2.98Å; I266-K268 VanDerWaalsContact C-N 3.29Å; I266-K268 PolarHBondContact O-N 3.48Å; I266-L269 WeakPolarHBondContact O-CA 3.48Å; I266-L269 WeakPolarHBondContact O-CB 3.22Å; I266-L269 PolarHBondContact O-N 2.85Å; I266-C270 PolarHBondContact O-N 3.08Å; I266-C270 PolarHBondContact O-SG 2.99Å; I266-C270 VanDerWaalsContact O-SG 3.32Å
267T98.6Very high97.7Very high0 Ų029.4 Ų29.40%015%0.149CC..Hα-helixtrans-64-33.9176.7-57.30000112.1L263 H264 A265 L269 C270 I271 H277 A297 L300 I301L263-T267 VanDerWaalsContact O-CB 3.25Å; L263-T267 WeakPolarHBondContact O-CB 3.16Å; L263-T267 PolarHBondContact O-N 3.3Å; L263-T267 PolarHBondContact O-OG1 3.4Å; H264-T267 PolarHBondContact O-N 3.48Å; A265-T267 VanDerWaalsContact C-N 3.31Å; A265-T267 PolarHBondContact O-N 2.95Å; T267-L269 VanDerWaalsContact C-N 3.33Å; T267-L269 PolarHBondContact O-N 3.42Å; T267-C270 WeakPolarHBondContact O-CB 3.49Å; T267-C270 PolarHBondContact O-N 2.94Å; T267-I271 HydrophobicContact CG2-CD1 4.28Å; T267-I271 WeakPolarHBondContact O-CG1 2.94Å; T267-I271 PolarHBondContact O-N 3.02Å; T267-H277 PolarHBondContact OG1-CE1 3.38Å; T267-H277 VanDerWaalsContact OG1-CE1 3.27Å; T267-H277 PolarHBondContact OG1-ND1 3.43Å; T267-A297 HydrophobicContact CG2-CB 4.37Å; T267-A297 VanDerWaalsContact OG1-CB 3.29Å; T267-A297 WeakPolarHBondContact OG1-CB 2.91Å; T267-L300 HydrophobicContact CG2-CB 4.08Å; T267-L300 HydrophobicContact CG2-CD1 4.13Å; T267-I301 HydrophobicContact CG2-CD1 3.74Å; T267-I301 HydrophobicContact CG2-CG1 3.67Å
268K98.3Very high97.8Very high113 Ų11329 Ų2949%0.49115%0.147SC..Hα-helixtrans-63.2-37.6171-73.5175.2168.4170.20112.2H264 A265 I266 I271 K272 L300H264-K268 WeakPolarHBondContact NE2-CE 3.35Å; H264-K268 PolarHBondContact NE2-NZ 3.38Å; H264-K268 PolarHBondContact O-N 3.44Å; A265-K268 WeakPolarHBondContact O-CB 3.38Å; A265-K268 PolarHBondContact O-N 2.9Å; I266-K268 VanDerWaalsContact C-N 3.29Å; I266-K268 PolarHBondContact O-N 3.48Å; K268-I271 PolarHBondContact O-N 3.46Å; K268-K272 WeakPolarHBondContact O-CB 3.41Å; K268-K272 PolarHBondContact O-N 3.08Å; K268-L300 HydrophobicContact CG-CD1 3.94Å
269L98.3Very high97.8Very high18 Ų1829 Ų299%0.09415%0.147CC..Hα-helixtrans-65.6-44.2172.3-66.5174.7000111.3L205 L208 E209 L212 A265 I266 T267 I271 K272 Y273L205-L269 HydrophobicContact CD2-CD1 4.23Å; L208-L269 HydrophobicContact CB-CD1 4.21Å; E209-L269 HydrophobicContact CB-CD2 4.35Å; E209-L269 HydrophobicContact CG-CD2 4.44Å; L212-L269 HydrophobicContact CD1-CB 3.86Å; L212-L269 HydrophobicContact CD1-CD1 4.36Å; A265-L269 PolarHBondContact O-N 3.21Å; I266-L269 WeakPolarHBondContact O-CA 3.48Å; I266-L269 WeakPolarHBondContact O-CB 3.22Å; I266-L269 PolarHBondContact O-N 2.85Å; T267-L269 VanDerWaalsContact C-N 3.33Å; T267-L269 PolarHBondContact O-N 3.42Å; L269-I271 VanDerWaalsContact C-N 3.3Å; L269-I271 PolarHBondContact O-N 3.25Å; L269-K272 PolarHBondContact O-N 3.07Å; L269-K272 VanDerWaalsContact O-N 3.15Å; L269-Y273 HydrophobicContact CD2-CE2 4.29Å; L269-Y273 WeakPolarHBondContact O-CD2 3.25Å; L269-Y273 PolarHBondContact O-N 2.97Å
270C98.2Very high97.9Very high0 Ų029.1 Ų29.10%015%0.147CC..Hα-helixtrans-53.9-46.8174.5-66.30000111.8I248 I266 T267 Y273 G274 V275 H277I248-C270 WeakPolarHBondContact CD1-SG 3.3Å; I266-C270 PolarHBondContact O-N 3.08Å; I266-C270 PolarHBondContact O-SG 2.99Å; I266-C270 VanDerWaalsContact O-SG 3.32Å; T267-C270 WeakPolarHBondContact O-CB 3.49Å; T267-C270 PolarHBondContact O-N 2.94Å; C270-Y273 PolarHBondContact O-N 3.04Å; C270-G274 PolarHBondContact O-N 2.78Å; C270-V275 WeakPolarHBondContact CB-O 3.44Å; C270-V275 PolarHBondContact O-N 2.89Å; C270-H277 HydrophobicContact CB-CB 4.44Å
271I97.1Very high97.9Very high41 Ų4128.2 Ų28.221%0.2114%0.141CC..Hα-helixtrans-62.9-47.2175.8-70.4165.1000111.4T267 K268 L269 Y273 L300 I301 H304T267-I271 HydrophobicContact CG2-CD1 4.28Å; T267-I271 WeakPolarHBondContact O-CG1 2.94Å; T267-I271 PolarHBondContact O-N 3.02Å; K268-I271 PolarHBondContact O-N 3.46Å; L269-I271 VanDerWaalsContact C-N 3.3Å; L269-I271 PolarHBondContact O-N 3.25Å; I271-Y273 VanDerWaalsContact C-N 3.28Å; I271-Y273 PolarHBondContact O-N 3.46Å; I271-L300 HydrophobicContact CD1-CB 4.06Å; I271-I301 HydrophobicContact CD1-CD1 4.27Å; I271-I301 HydrophobicContact CG1-CD1 4.02Å; I271-H304 HydrophobicContact CD1-CB 4.04Å; I271-H304 HydrophobicContact CG1-CB 4.31Å; I271-H304 WeakPolarHBondContact CG2-ND1 3.47Å
272K95.9Very high97.9Very high128 Ų12828.6 Ų28.656%0.55715%0.145SC*.Hα-helixtrans-59.2-36.8-179.3178.4-179.9174-174.70112.8E209 K268 L269E209-K272 IonicContact OE1-NZ 2.77Å; E209-K272 PolarHBondContact OE1-NZ 2.9Å; K268-K272 WeakPolarHBondContact O-CB 3.41Å; K268-K272 PolarHBondContact O-N 3.08Å; L269-K272 PolarHBondContact O-N 3.07Å; L269-K272 VanDerWaalsContact O-N 3.15Å
273Y96.5Very high97.9Very high40 Ų4025.1 Ų25.116%0.15713%0.129CC..Hα-helixtrans-106.4-0.7-172.8-73.6-82.3000114.8E209 L212 K213 S242 L269 C270 I271E209-Y273 HydrophobicContact CG-CE2 4.07Å; E209-Y273 WeakPolarHBondContact CG-OH 3.42Å; E209-Y273 PolarHBondContact OE1-OH 3.29Å; E209-Y273 VanDerWaalsContact OE1-OH 3.12Å; L212-Y273 HydrophobicContact CB-CD1 4.16Å; L212-Y273 HydrophobicContact CB-CD2 4.1Å; L212-Y273 HydrophobicContact CB-CE1 4.38Å; L212-Y273 HydrophobicContact CB-CE2 4.3Å; L212-Y273 HydrophobicContact CB-CG 4.03Å; L212-Y273 HydrophobicContact CD1-CD2 3.73Å; L212-Y273 HydrophobicContact CD1-CE2 4.15Å; L212-Y273 HydrophobicContact CD1-CG 4.28Å; L212-Y273 HydrophobicContact CD2-CG 4.41Å; L212-Y273 HydrophobicContact CG-CD2 4.37Å; L212-Y273 HydrophobicContact CG-CG 4.48Å; K213-Y273 WeakPolarHBondContact CE-OH 3.35Å; K213-Y273 HydrophobicContact CG-CE1 4.03Å; S242-Y273 PolarHBondContact OG-O 3.24Å; L269-Y273 HydrophobicContact CD2-CE2 4.29Å; L269-Y273 WeakPolarHBondContact O-CD2 3.25Å; L269-Y273 PolarHBondContact O-N 2.97Å; C270-Y273 PolarHBondContact O-N 3.04Å; I271-Y273 VanDerWaalsContact C-N 3.28Å; I271-Y273 PolarHBondContact O-N 3.46Å
274G95.3Very high97.9Very high32 Ų3225 Ų2533%0.3313%0.129SC..THydrogen-bonded Turntrans71.233.2179.100000114.4R159 C270R159-G274 PolarHBondContact NH1-O 2.99Å; C270-G274 PolarHBondContact O-N 2.78Å
275V96.7Very high97.9Very high0 Ų021.9 Ų21.90%011%0.114CC..  trans-114.2140.1-173178.60000110.8L212 I245 I248 C270 I316L212-V275 HydrophobicContact CD2-CB 4.38Å; L212-V275 HydrophobicContact CD2-CG2 3.93Å; I245-V275 HydrophobicContact CB-CG1 4.17Å; I245-V275 HydrophobicContact CB-CG2 4.32Å; I245-V275 HydrophobicContact CG2-CG1 3.62Å; I248-V275 HydrophobicContact CG1-CG1 4.24Å; C270-V275 WeakPolarHBondContact CB-O 3.44Å; C270-V275 PolarHBondContact O-N 2.89Å; V275-I316 WeakPolarHBondContact O-CG2 3.38Å
276S97.9Very high97.8Very high5 Ų520.5 Ų20.54%0.03510%0.102CC..EExtended strand (participates in β ladder)trans-67.8160.4177.6-520000112.4V246 C247 I248 D317V246-S276 WeakPolarHBondContact O-CB 3.46Å; C247-S276 CarbonylContact C-O 3.57Å; C247-S276 WeakPolarHBondContact CA-O 3.45Å; C247-S276 WeakPolarHBondContact CB-O 3.42Å; I248-S276 PolarHBondContact N-O 2.8Å; S276-D317 CarbonylContact C-O 3.17Å; S276-D317 WeakPolarHBondContact CA-O 3.49Å
277H98.7Very high97.7Very high0 Ų020.7 Ų20.70%010%0.104CC..EExtended strand (participates in β ladder)trans-127.5118.6-179.6-170.7-176.7000111M155 I248 T250 T267 C270 D317 L318 L319M155-H277 WeakPolarHBondContact CE-O 3.39Å; I248-H277 PolarHBondContact O-CD2 3.19Å; T250-H277 VanDerWaalsContact CG2-NE2 3.27Å; T250-H277 WeakPolarHBondContact CG2-NE2 3.31Å; T250-H277 PolarHBondContact OG1-NE2 3.07Å; T267-H277 PolarHBondContact OG1-CE1 3.38Å; T267-H277 VanDerWaalsContact OG1-CE1 3.27Å; T267-H277 PolarHBondContact OG1-ND1 3.43Å; C270-H277 HydrophobicContact CB-CB 4.44Å; H277-D317 PolarHBondContact N-O 3.46Å; H277-L318 HydrophobicContact CB-CD1 3.53Å; H277-L318 WeakPolarHBondContact ND1-CD1 3.48Å; H277-L318 VanDerWaalsContact O-CA 3.31Å; H277-L318 WeakPolarHBondContact O-CA 3.37Å; H277-L319 PolarHBondContact O-N 3.24Å; H277-L319 VanDerWaalsContact O-N 3.11Å
278L98.8Very high97.6Very high0 Ų023.2 Ų23.20%012%0.12CC..EExtended strand (participates in β ladder)trans-107.8131.3173.6-176.760.9000109.7L148 C151 L152 M155 I248 F249 T250 L319 V321L148-L278 HydrophobicContact CD2-CD1 4.14Å; L148-L278 HydrophobicContact CD2-CD2 3.89Å; L148-L278 HydrophobicContact CD2-CG 4Å; C151-L278 HydrophobicContact CB-CD1 3.73Å; C151-L278 HydrophobicContact CB-CD2 4.25Å; L152-L278 HydrophobicContact CD1-CD2 4.47Å; L152-L278 HydrophobicContact CD2-CD2 3.64Å; L152-L278 HydrophobicContact CG-CD2 3.69Å; M155-L278 HydrophobicContact CE-CB 4.23Å; M155-L278 HydrophobicContact CE-CD1 4.34Å; M155-L278 HydrophobicContact SD-CB 4.02Å; I248-L278 PolarHBondContact O-N 3Å; F249-L278 WeakPolarHBondContact CA-O 3.34Å; F249-L278 HydrophobicContact CD2-CB 4.04Å; F249-L278 HydrophobicContact CD2-CD2 4.01Å; F249-L278 HydrophobicContact CD2-CG 3.87Å; F249-L278 WeakPolarHBondContact CD2-O 3.25Å; F249-L278 HydrophobicContact CE2-CD2 4.07Å; F249-L278 HydrophobicContact CE2-CG 4.03Å; F249-L278 HydrophobicContact CG-CD2 4.49Å; T250-L278 PolarHBondContact N-O 2.74Å; T250-L278 PolarHBondContact OG1-O 2.96Å; L278-L319 HydrophobicContact CD1-CB 3.88Å; L278-V321 HydrophobicContact CD1-CG2 4.36Å
279I98.9Very high97.5Very high0 Ų022.9 Ų22.90%012%0.116CC..EExtended strand (participates in β ladder)trans-115.1118-179.8-56166.5000109.7T252 L263 N281 I294 L318 L319 Y320 V321T252-I279 HydrophobicContact CG2-CG2 3.92Å; L263-I279 HydrophobicContact CD1-CD1 3.88Å; L263-I279 HydrophobicContact CD1-CG1 4.5Å; L263-I279 HydrophobicContact CD1-CG2 4.18Å; L263-I279 HydrophobicContact CD2-CD1 4.22Å; L263-I279 HydrophobicContact CD2-CG1 4.1Å; L263-I279 HydrophobicContact CD2-CG2 4.27Å; I279-N281 HydrophobicContact CG2-CB 4.47Å; I279-N281 PolarHBondContact O-N 3.01Å; I279-I294 HydrophobicContact CD1-CG1 4.3Å; I279-I294 HydrophobicContact CG2-CD1 4.47Å; I279-I294 HydrophobicContact CG2-CG1 4.42Å; I279-L318 HydrophobicContact CD1-CD1 3.76Å; I279-L318 HydrophobicContact CG1-CD1 4.29Å; I279-L319 PolarHBondContact N-O 3.36Å; I279-Y320 VanDerWaalsContact O-CA 3.28Å; I279-Y320 WeakPolarHBondContact O-CA 3.48Å; I279-V321 PolarHBondContact O-N 2.79Å
280N98.7Very high97.5Very high10 Ų1022 Ų225%0.05311%0.112CC..EExtended strand (participates in β ladder)trans-76.2100163.9176.418.9000109.3L148 F249 T250 T251 T252 A282L148-N280 HydrophobicContact CD1-CB 4.42Å; F249-N280 HydrophobicContact CE2-CB 3.62Å; F249-N280 HydrophobicContact CZ-CB 3.99Å; T250-N280 WeakPolarHBondContact O-CB 3.46Å; T250-N280 PolarHBondContact O-N 3.23Å; T251-N280 WeakPolarHBondContact CA-O 3.32Å; T251-N280 HydrophobicContact CG2-CB 4.22Å; T251-N280 PolarHBondContact OG1-ND2 2.95Å; T252-N280 PolarHBondContact N-O 3.44Å; T252-N280 PolarHBondContact OG1-O 3.18Å; N280-A282 VanDerWaalsContact OD1-CB 3.3Å; N280-A282 WeakPolarHBondContact OD1-CB 3.26Å; N280-A282 PolarHBondContact OD1-N 3.24Å
281N98.6Very high97.5Very high0 Ų022 Ų220%011%0.112CC..  trans-101.925.3175.9-165.846.5000112.5T252 I279 Y283 G284 M291 I294 Y320 V321 Q322T252-N281 WeakPolarHBondContact OG1-CA 3.37Å; T252-N281 PolarHBondContact OG1-OD1 3.11Å; I279-N281 HydrophobicContact CG2-CB 4.47Å; I279-N281 PolarHBondContact O-N 3.01Å; N281-Y283 VanDerWaalsContact C-N 3.26Å; N281-Y283 PolarHBondContact O-N 3.49Å; N281-G284 PolarHBondContact O-N 3.27Å; N281-G284 VanDerWaalsContact OD1-CA 3.3Å; N281-G284 WeakPolarHBondContact OD1-CA 3.06Å; N281-M291 PolarHBondContact ND2-SD 3.3Å; N281-I294 HydrophobicContact CB-CD1 3.86Å; N281-I294 WeakPolarHBondContact ND2-CD1 3.37Å; N281-I294 WeakPolarHBondContact OD1-CD1 3.07Å; N281-Y320 HydrophobicContact CB-CD2 4.41Å; N281-V321 CarbonylContact C-O 3.6Å; N281-V321 VanDerWaalsContact CA-O 3.24Å; N281-V321 WeakPolarHBondContact CA-O 3.42Å; N281-V321 WeakPolarHBondContact CB-O 3.29Å; N281-V321 PolarHBondContact N-O 3.08Å; N281-Q322 PolarHBondContact ND2-OE1 3.48Å; N281-Q322 WeakPolarHBondContact O-CB 3.46Å
282A97.9Very high97.6Very high12 Ų1227.5 Ų27.510%0.09913%0.13CC..THydrogen-bonded Turntrans-29.9-55.7-168.900000114.8T144 N280 V321 S323 N327T144-A282 HydrophobicContact CG2-CB 4.24Å; N280-A282 VanDerWaalsContact OD1-CB 3.3Å; N280-A282 WeakPolarHBondContact OD1-CB 3.26Å; N280-A282 PolarHBondContact OD1-N 3.24Å; A282-V321 PolarHBondContact N-O 3.26Å; A282-S323 PolarHBondContact O-N 2.88Å; A282-N327 PolarHBondContact O-ND2 3.36Å
283Y97.4Very high97.7Very high29 Ų2923.5 Ų23.511%0.11412%0.116CC..THydrogen-bonded Turntrans-127.934.3-179.459.4-84.5000112.4N253 C254 N281 Q286 K326 N327 I413N253-Y283 VanDerWaalsContact C-CZ 3.48Å; N253-Y283 HydrophobicContact CB-CD1 4.47Å; N253-Y283 HydrophobicContact CB-CD2 3.53Å; N253-Y283 HydrophobicContact CB-CE1 4.32Å; N253-Y283 HydrophobicContact CB-CE2 3.38Å; N253-Y283 HydrophobicContact CB-CG 4.1Å; N253-Y283 WeakPolarHBondContact O-CE1 3.43Å; N253-Y283 PolarHBondContact O-OH 3.14Å; C254-Y283 WeakPolarHBondContact CA-OH 3.35Å; C254-Y283 PolarHBondContact N-OH 3.41Å; C254-Y283 VanDerWaalsContact N-OH 3.13Å; C254-Y283 PolarHBondContact O-OH 2.82Å; N281-Y283 VanDerWaalsContact C-N 3.26Å; N281-Y283 PolarHBondContact O-N 3.49Å; Y283-Q286 VanDerWaalsContact O-CG 3.27Å; Y283-Q286 WeakPolarHBondContact O-CG 3.48Å; Y283-Q286 PolarHBondContact O-NE2 3.47Å; Y283-K326 HydrophobicContact CD1-CD 4.12Å; Y283-K326 HydrophobicContact CG-CD 4.41Å; Y283-N327 VanDerWaalsContact C-OD1 3.28Å; Y283-N327 WeakPolarHBondContact CA-OD1 3.4Å; Y283-I413 HydrophobicContact CD2-CD1 4.02Å; Y283-I413 HydrophobicContact CE2-CD1 4.43Å; Y283-I413 HydrophobicContact CE2-CG2 4.37Å
284G97.8Very high97.8Very high0 Ų021.6 Ų21.60%011%0.108CC..THydrogen-bonded Turntrans-98.9-7.4-175.600000116.3N253 N281 Q286 S287N253-G284 VanDerWaalsContact CG-CA 3.44Å; N253-G284 WeakPolarHBondContact OD1-CA 3.35Å; N281-G284 PolarHBondContact O-N 3.27Å; N281-G284 VanDerWaalsContact OD1-CA 3.3Å; N281-G284 WeakPolarHBondContact OD1-CA 3.06Å; G284-Q286 VanDerWaalsContact C-N 3.29Å; G284-Q286 PolarHBondContact O-N 2.94Å; G284-S287 PolarHBondContact O-N 3.44Å
285V98.4Very high97.9Very high0 Ų020.7 Ų20.70%010%0.096CC..THydrogen-bonded Turntrans-67.7-34.7176.3-1700000111.3W125 L126 S287 M291 Q322 N327 W376W125-V285 HydrophobicContact CD2-CG1 4.15Å; W125-V285 HydrophobicContact CE3-CG1 4.33Å; W125-V285 HydrophobicContact CH2-CB 3.58Å; W125-V285 HydrophobicContact CH2-CG1 3.46Å; W125-V285 VanDerWaalsContact CH2-CG1 3.46Å; W125-V285 HydrophobicContact CH2-CG2 3.63Å; W125-V285 HydrophobicContact CZ2-CB 3.62Å; W125-V285 HydrophobicContact CZ2-CG1 3.19Å; W125-V285 HydrophobicContact CZ2-CG2 4.2Å; W125-V285 HydrophobicContact CZ3-CB 4.39Å; W125-V285 HydrophobicContact CZ3-CG1 4.01Å; W125-V285 HydrophobicContact CZ3-CG2 4.1Å; L126-V285 HydrophobicContact CD2-CG1 4.07Å; L126-V285 HydrophobicContact CD2-CG2 3.79Å; V285-S287 PolarHBondContact O-N 3.12Å; V285-M291 HydrophobicContact CB-SD 4.19Å; V285-M291 HydrophobicContact CG1-CE 4.44Å; V285-M291 HydrophobicContact CG1-CG 4.41Å; V285-M291 HydrophobicContact CG1-SD 4.18Å; V285-M291 HydrophobicContact CG2-SD 3.97Å; V285-Q322 HydrophobicContact CG2-CB 3.74Å; V285-Q322 HydrophobicContact CG2-CG 3.64Å; V285-N327 HydrophobicContact CB-CB 4.24Å; V285-N327 PolarHBondContact N-OD1 2.86Å; V285-N327 VanDerWaalsContact N-OD1 3.14Å; V285-W376 HydrophobicContact CG1-CH2 4.48Å; V285-W376 HydrophobicContact CG1-CZ2 4.15Å
286Q97.7Very high98Very high2 Ų222.8 Ų22.81%0.00911%0.11CC..THydrogen-bonded Turntrans-66.12.9170.969.9-176.1-72.800114.2Y283 G284 K326 N327 W376 I380 Q383 I413 I505Y283-Q286 VanDerWaalsContact O-CG 3.27Å; Y283-Q286 WeakPolarHBondContact O-CG 3.48Å; Y283-Q286 PolarHBondContact O-NE2 3.47Å; G284-Q286 VanDerWaalsContact C-N 3.29Å; G284-Q286 PolarHBondContact O-N 2.94Å; Q286-K326 PolarHBondContact NE2-O 2.76Å; Q286-N327 PolarHBondContact N-OD1 3.42Å; Q286-W376 HydrophobicContact CB-CH2 4.38Å; Q286-I380 HydrophobicContact CB-CD1 4.25Å; Q286-I380 WeakPolarHBondContact O-CD1 3.21Å; Q286-Q383 PolarHBondContact O-NE2 3.5Å; Q286-Q383 VanDerWaalsContact O-NE2 3.12Å; Q286-Q383 PolarHBondContact O-OE1 3.45Å; Q286-I413 HydrophobicContact CG-CD1 3.6Å; Q286-I505 HydrophobicContact CB-CB 4.05Å; Q286-I505 HydrophobicContact CB-CD1 4.15Å; Q286-I505 HydrophobicContact CB-CG2 4.27Å
287S97.1Very high98.1Very high4 Ų422.6 Ų22.63%0.02811%0.109CC..  trans-122.2104.3174.8-177.80000110.5G284 V285 R289 C290 M291 P412G284-S287 PolarHBondContact O-N 3.44Å; V285-S287 PolarHBondContact O-N 3.12Å; S287-R289 PolarHBondContact O-N 2.89Å; S287-C290 PolarHBondContact O-N 3.48Å; S287-C290 PolarHBondContact OG-SG 2.96Å; S287-C290 VanDerWaalsContact OG-SG 3.41Å; S287-M291 PolarHBondContact O-N 2.67Å; S287-M291 VanDerWaalsContact O-N 3.08Å; S287-P412 WeakPolarHBondContact OG-CG 3.5Å
288P96.3Very high98Very high53 Ų5322.6 Ų22.634%0.34411%0.109SC..Hα-helixtrans-57.5-24.4175.4-2735.1000113.6R292 I380P288-R292 WeakPolarHBondContact O-CB 3.45Å; P288-R292 VanDerWaalsContact O-CG 3.25Å; P288-R292 WeakPolarHBondContact O-CG 3.33Å; P288-R292 PolarHBondContact O-N 2.73Å; P288-R292 VanDerWaalsContact O-N 3.13Å; P288-R292 PolarHBondContact O-NE 3.13Å; P288-R292 VanDerWaalsContact O-NE 3.08Å; P288-I380 HydrophobicContact CG-CG2 4.04Å
289R96.3Very high98Very high106 Ų10627 Ų2740%0.413%0.128SC..Hα-helixtrans-66.8-45.8173.2-176.5176176.8169.1-5111.2S287 R292 T293 T409 S410S287-R289 PolarHBondContact O-N 2.89Å; R289-R292 PolarHBondContact O-N 3.29Å; R289-T293 PolarHBondContact O-N 3.43Å; R289-T293 VanDerWaalsContact O-N 3.12Å; R289-T409 PolarHBondContact NH1-O 3.26Å; R289-S410 VanDerWaalsContact NH2-CB 3.33Å; R289-S410 PolarHBondContact NH2-OG 3.08Å
290C97.6Very high98Very high1 Ų128.2 Ų28.21%0.00713%0.134CC..Hα-helixtrans-70.9-40.3-178-60.30000111.2T252 N253 S287 R292 T293 I294T252-C290 HydrophobicContact CG2-CB 4.37Å; N253-C290 VanDerWaalsContact OD1-CB 3.25Å; N253-C290 WeakPolarHBondContact OD1-CB 3.32Å; N253-C290 PolarHBondContact OD1-SG 2.85Å; S287-C290 PolarHBondContact O-N 3.48Å; S287-C290 PolarHBondContact OG-SG 2.96Å; S287-C290 VanDerWaalsContact OG-SG 3.41Å; C290-R292 VanDerWaalsContact C-N 3.34Å; C290-R292 PolarHBondContact O-N 3.09Å; C290-T293 WeakPolarHBondContact CA-OG1 3.44Å; C290-T293 PolarHBondContact O-N 3.16Å; C290-T293 VanDerWaalsContact O-N 3.1Å; C290-T293 PolarHBondContact O-OG1 3.47Å; C290-I294 PolarHBondContact O-N 3.24Å
291M98.6Very high97.9Very high0 Ų028 Ų280%013%0.133CC..Hα-helixtrans-60.6-40.6172.8-66.2-55.8-67.600112.6L126 S129 G130 N281 V285 S287 T293 I294 E295 Y320L126-M291 HydrophobicContact CB-CE 4.32Å; L126-M291 HydrophobicContact CD2-CE 3.88Å; S129-M291 VanDerWaalsContact O-CB 3.27Å; S129-M291 WeakPolarHBondContact O-CB 3.33Å; G130-M291 CarbonylContact O-C 3.58Å; N281-M291 PolarHBondContact ND2-SD 3.3Å; V285-M291 HydrophobicContact CB-SD 4.19Å; V285-M291 HydrophobicContact CG1-CE 4.44Å; V285-M291 HydrophobicContact CG1-CG 4.41Å; V285-M291 HydrophobicContact CG1-SD 4.18Å; V285-M291 HydrophobicContact CG2-SD 3.97Å; S287-M291 PolarHBondContact O-N 2.67Å; S287-M291 VanDerWaalsContact O-N 3.08Å; M291-T293 VanDerWaalsContact C-N 3.32Å; M291-T293 PolarHBondContact O-N 2.95Å; M291-I294 WeakPolarHBondContact O-CB 3.34Å; M291-I294 PolarHBondContact O-N 3.24Å; M291-I294 HydrophobicContact SD-CD1 4.2Å; M291-E295 PolarHBondContact O-N 3.29Å; M291-Y320 HydrophobicContact CE-CE2 4.37Å
292R98.2Very high97.8Very high156 Ų15630.5 Ų30.559%0.58915%0.146SC*.Hα-helixtrans-64.7-32173.5-77.4-178.9-67.9147.4-7.2113.5P288 R289 C290 E295 S296P288-R292 WeakPolarHBondContact O-CB 3.45Å; P288-R292 VanDerWaalsContact O-CG 3.25Å; P288-R292 WeakPolarHBondContact O-CG 3.33Å; P288-R292 PolarHBondContact O-N 2.73Å; P288-R292 VanDerWaalsContact O-N 3.13Å; P288-R292 PolarHBondContact O-NE 3.13Å; P288-R292 VanDerWaalsContact O-NE 3.08Å; R289-R292 PolarHBondContact O-N 3.29Å; C290-R292 VanDerWaalsContact C-N 3.34Å; C290-R292 PolarHBondContact O-N 3.09Å; R292-E295 WeakPolarHBondContact O-CB 3.48Å; R292-S296 WeakPolarHBondContact O-CB 3.37Å; R292-S296 PolarHBondContact O-N 2.91Å
293T97.9Very high97.7Very high44 Ų4435.2 Ų35.227%0.2717%0.166SC..Hα-helixtrans-70.3-35.1173.655.60000112.4R289 C290 M291 S296 A297R289-T293 PolarHBondContact O-N 3.43Å; R289-T293 VanDerWaalsContact O-N 3.12Å; C290-T293 WeakPolarHBondContact CA-OG1 3.44Å; C290-T293 PolarHBondContact O-N 3.16Å; C290-T293 VanDerWaalsContact O-N 3.1Å; C290-T293 PolarHBondContact O-OG1 3.47Å; M291-T293 VanDerWaalsContact C-N 3.32Å; M291-T293 PolarHBondContact O-N 2.95Å; T293-S296 PolarHBondContact O-N 3.31Å; T293-A297 PolarHBondContact O-N 3.32Å; T293-A297 VanDerWaalsContact O-N 3.15Å
294I98.7Very high97.5Very high0 Ų035.8 Ų35.80%017%0.17CC..Hα-helixtrans-65.8-45.4172.5-69.7169.9000110.3T252 L263 I279 N281 C290 M291 S296 A297 G298 Y320 F340T252-I294 HydrophobicContact CG2-CD1 4.19Å; T252-I294 HydrophobicContact CG2-CG1 4.22Å; L263-I294 HydrophobicContact CD1-CG1 3.7Å; I279-I294 HydrophobicContact CD1-CG1 4.3Å; I279-I294 HydrophobicContact CG2-CD1 4.47Å; I279-I294 HydrophobicContact CG2-CG1 4.42Å; N281-I294 HydrophobicContact CB-CD1 3.86Å; N281-I294 WeakPolarHBondContact ND2-CD1 3.37Å; N281-I294 WeakPolarHBondContact OD1-CD1 3.07Å; C290-I294 PolarHBondContact O-N 3.24Å; M291-I294 WeakPolarHBondContact O-CB 3.34Å; M291-I294 PolarHBondContact O-N 3.24Å; M291-I294 HydrophobicContact SD-CD1 4.2Å; I294-S296 VanDerWaalsContact C-N 3.3Å; I294-S296 PolarHBondContact O-N 3.23Å; I294-A297 PolarHBondContact O-N 2.88Å; I294-G298 PolarHBondContact O-N 3.3Å; I294-Y320 HydrophobicContact CD1-CD2 4.06Å; I294-Y320 HydrophobicContact CD1-CG 4.33Å; I294-Y320 HydrophobicContact CG2-CD1 3.71Å; I294-Y320 HydrophobicContact CG2-CD2 4.28Å; I294-Y320 HydrophobicContact CG2-CE1 3.82Å; I294-Y320 HydrophobicContact CG2-CE2 4.38Å; I294-Y320 HydrophobicContact CG2-CG 3.94Å; I294-F340 HydrophobicContact CG2-CE2 4.15Å; I294-F340 HydrophobicContact CG2-CZ 3.91Å
295E98.7Very high97.3Very high13 Ų1337.5 Ų37.56%0.06118%0.178CC..Hα-helixtrans-54.7-45.817417659.8-167.900112.4G130 S131 P132 S133 M291 R292 A297 G298 K299G130-E295 WeakPolarHBondContact O-CB 3.5Å; S131-E295 VanDerWaalsContact CA-OE2 3.26Å; S131-E295 WeakPolarHBondContact CA-OE2 3.37Å; S131-E295 PolarHBondContact OG-OE2 2.75Å; P132-E295 WeakPolarHBondContact CD-OE2 3.46Å; P132-E295 HydrophobicContact CG-CG 4.42Å; S133-E295 WeakPolarHBondContact CB-OE1 3.39Å; S133-E295 WeakPolarHBondContact CB-OE2 3.3Å; S133-E295 PolarHBondContact N-OE2 3.13Å; S133-E295 PolarHBondContact OG-OE1 2.83Å; M291-E295 PolarHBondContact O-N 3.29Å; R292-E295 WeakPolarHBondContact O-CB 3.48Å; E295-A297 VanDerWaalsContact C-N 3.34Å; E295-A297 PolarHBondContact O-N 3.15Å; E295-G298 PolarHBondContact O-N 3.43Å; E295-K299 PolarHBondContact O-N 2.91Å; E295-K299 WeakPolarHBondContact OE1-CE 3.36Å; E295-K299 IonicContact OE1-NZ 2.81Å; E295-K299 PolarHBondContact OE1-NZ 3.15Å; E295-K299 VanDerWaalsContact OE1-NZ 3.14Å
296S98.4Very high97Very high44 Ų4443.1 Ų43.131%0.30821%0.208SC..Hα-helixtrans-62.9-39.4178.5-170.10000112.5H264 R292 T293 I294 L300H264-S296 PolarHBondContact ND1-OG 3.18Å; R292-S296 WeakPolarHBondContact O-CB 3.37Å; R292-S296 PolarHBondContact O-N 2.91Å; T293-S296 PolarHBondContact O-N 3.31Å; I294-S296 VanDerWaalsContact C-N 3.3Å; I294-S296 PolarHBondContact O-N 3.23Å; S296-L300 PolarHBondContact O-N 3.42Å
297A98.6Very high96.6Very high0 Ų049.1 Ų49.10%024%0.24CC..Hα-helixtrans-67.5-42.217300000112.1L263 T267 T293 I294 E295 K299 L300 I301 L318L263-A297 HydrophobicContact CB-CB 4.27Å; T267-A297 HydrophobicContact CG2-CB 4.37Å; T267-A297 VanDerWaalsContact OG1-CB 3.29Å; T267-A297 WeakPolarHBondContact OG1-CB 2.91Å; T293-A297 PolarHBondContact O-N 3.32Å; T293-A297 VanDerWaalsContact O-N 3.15Å; I294-A297 PolarHBondContact O-N 2.88Å; E295-A297 VanDerWaalsContact C-N 3.34Å; E295-A297 PolarHBondContact O-N 3.15Å; A297-K299 PolarHBondContact O-N 3.14Å; A297-L300 PolarHBondContact O-N 2.91Å; A297-I301 PolarHBondContact O-N 3.45Å; A297-L318 HydrophobicContact CB-CD2 4.28Å
298G98.4Very high95.9Very high0 Ų051.9 Ų51.90%025%0.253CS..Hα-helixtrans-58.5-46.2177.300000113.4I294 E295 L300 I301 I302 F340I294-G298 PolarHBondContact O-N 3.3Å; E295-G298 PolarHBondContact O-N 3.43Å; G298-L300 PolarHBondContact O-N 3.04Å; G298-I301 PolarHBondContact O-N 3.37Å; G298-I302 WeakPolarHBondContact O-CG1 3.5Å; G298-I302 PolarHBondContact O-N 2.97Å; G298-F340 VanDerWaalsContact CA-CZ 3.47Å
299K98.2Very high94.6Very high93 Ų9353.6 Ų53.640%0.40427%0.266SS..Hα-helixtrans-59.8-43.7176.7-79.8179.4164.9159.10112.9E295 A297 I301 I302 E303E295-K299 PolarHBondContact O-N 2.91Å; E295-K299 WeakPolarHBondContact OE1-CE 3.36Å; E295-K299 IonicContact OE1-NZ 2.81Å; E295-K299 PolarHBondContact OE1-NZ 3.15Å; E295-K299 VanDerWaalsContact OE1-NZ 3.14Å; A297-K299 PolarHBondContact O-N 3.14Å; K299-I301 VanDerWaalsContact C-N 3.28Å; K299-I301 PolarHBondContact O-N 2.96Å; K299-I302 PolarHBondContact O-N 3.22Å; K299-E303 WeakPolarHBondContact O-CB 3.14Å; K299-E303 VanDerWaalsContact O-CG 3.28Å; K299-E303 WeakPolarHBondContact O-CG 3.45Å; K299-E303 PolarHBondContact O-N 3.33Å
300L97.9Very high93Very high26 Ų2656 Ų5614%0.13629%0.287CS..Hα-helixtrans-57.5-42.2175.5-73.9177.7000112.2H264 T267 K268 I271 S296 A297 G298 H304H264-L300 VanDerWaalsContact CE1-CD1 3.5Å; H264-L300 WeakPolarHBondContact CE1-CD1 3.26Å; H264-L300 WeakPolarHBondContact ND1-CD1 3.45Å; H264-L300 WeakPolarHBondContact O-CD1 3.15Å; T267-L300 HydrophobicContact CG2-CB 4.08Å; T267-L300 HydrophobicContact CG2-CD1 4.13Å; K268-L300 HydrophobicContact CG-CD1 3.94Å; I271-L300 HydrophobicContact CD1-CB 4.06Å; S296-L300 PolarHBondContact O-N 3.42Å; A297-L300 PolarHBondContact O-N 2.91Å; G298-L300 PolarHBondContact O-N 3.04Å; L300-H304 VanDerWaalsContact O-CB 3.22Å; L300-H304 WeakPolarHBondContact O-CB 3.36Å; L300-H304 PolarHBondContact O-N 2.86Å
301I96.8Very high91.5Very high5 Ų558 Ų583%0.02630%0.3CS..Hα-helixtrans-70.5-42.2179.9-66.9-67.9000111.4T267 I271 A297 G298 K299 H304 N305 I316 L318T267-I301 HydrophobicContact CG2-CD1 3.74Å; T267-I301 HydrophobicContact CG2-CG1 3.67Å; I271-I301 HydrophobicContact CD1-CD1 4.27Å; I271-I301 HydrophobicContact CG1-CD1 4.02Å; A297-I301 PolarHBondContact O-N 3.45Å; G298-I301 PolarHBondContact O-N 3.37Å; K299-I301 VanDerWaalsContact C-N 3.28Å; K299-I301 PolarHBondContact O-N 2.96Å; I301-H304 PolarHBondContact O-N 3.46Å; I301-N305 WeakPolarHBondContact CG2-ND2 3.27Å; I301-N305 VanDerWaalsContact O-CB 3.27Å; I301-N305 WeakPolarHBondContact O-CB 3.45Å; I301-N305 VanDerWaalsContact O-CG 3.26Å; I301-N305 PolarHBondContact O-N 2.79Å; I301-N305 PolarHBondContact O-ND2 3.18Å; I301-I316 HydrophobicContact CD1-CB 3.83Å; I301-I316 HydrophobicContact CD1-CG2 3.51Å; I301-I316 WeakPolarHBondContact CG2-O 3.27Å; I301-L318 HydrophobicContact CB-CB 4.48Å; I301-L318 HydrophobicContact CB-CD2 4.38Å; I301-L318 HydrophobicContact CG1-CB 3.98Å; I301-L318 HydrophobicContact CG1-CD2 3.93Å; I301-L318 HydrophobicContact CG1-CG 4.45Å; I301-L318 HydrophobicContact CG2-CB 4.27Å
302I96.4Very high90.1Very high52 Ų5266.4 Ų66.427%0.26735%0.345SS..Hα-helixtrans-59.5-52.3175.2-68.7164.3000109.9G298 K299 H304 N305 L306 F340G298-I302 WeakPolarHBondContact O-CG1 3.5Å; G298-I302 PolarHBondContact O-N 2.97Å; K299-I302 PolarHBondContact O-N 3.22Å; I302-H304 VanDerWaalsContact C-N 3.34Å; I302-H304 PolarHBondContact O-N 2.94Å; I302-N305 PolarHBondContact O-N 3.35Å; I302-L306 HydrophobicContact CG2-CD1 3.73Å; I302-L306 HydrophobicContact CG2-CG 4.34Å; I302-L306 WeakPolarHBondContact O-CB 3.46Å; I302-L306 VanDerWaalsContact O-CG 3.25Å; I302-L306 WeakPolarHBondContact O-CG 3.39Å; I302-L306 PolarHBondContact O-N 2.99Å; I302-F340 HydrophobicContact CD1-CB 4.18Å; I302-F340 HydrophobicContact CD1-CD1 3.9Å; I302-F340 HydrophobicContact CD1-CG 4.45Å; I302-F340 HydrophobicContact CG1-CB 4.1Å
303E95.7Very high88.8Confident111 Ų11164.4 Ų64.452%0.51935%0.347SS..Hα-helixtrans-58.7-44.9179-72.6169.2-166.400111.6K299 N307K299-E303 WeakPolarHBondContact O-CB 3.14Å; K299-E303 VanDerWaalsContact O-CG 3.28Å; K299-E303 WeakPolarHBondContact O-CG 3.45Å; K299-E303 PolarHBondContact O-N 3.33Å; E303-N307 VanDerWaalsContact O-CG 3.24Å; E303-N307 PolarHBondContact O-N 2.92Å; E303-N307 PolarHBondContact O-ND2 3.07Å
304H94.7Very high87.9Confident42 Ų4267 Ų6719%0.19436%0.356CS..Hα-helixtrans-63.4-50.5177.7178.474.2000112.4I271 L300 I301 I302 L306 N307 Q308I271-H304 HydrophobicContact CD1-CB 4.04Å; I271-H304 HydrophobicContact CG1-CB 4.31Å; I271-H304 WeakPolarHBondContact CG2-ND1 3.47Å; L300-H304 VanDerWaalsContact O-CB 3.22Å; L300-H304 WeakPolarHBondContact O-CB 3.36Å; L300-H304 PolarHBondContact O-N 2.86Å; I301-H304 PolarHBondContact O-N 3.46Å; I302-H304 VanDerWaalsContact C-N 3.34Å; I302-H304 PolarHBondContact O-N 2.94Å; H304-L306 VanDerWaalsContact C-N 3.34Å; H304-L306 PolarHBondContact O-N 2.93Å; H304-N307 PolarHBondContact O-N 3.4Å; H304-Q308 WeakPolarHBondContact O-CG 3.39Å; H304-Q308 PolarHBondContact O-N 3.33Å
305N93.8Very high87.5Confident35 Ų3569.7 Ų69.719%0.18737%0.373CS..Hα-helixtrans-68.1-32.7-176.3-71.4-17.2000112.1I301 I302 Q308 S309 P315 I316I301-N305 WeakPolarHBondContact CG2-ND2 3.27Å; I301-N305 VanDerWaalsContact O-CB 3.27Å; I301-N305 WeakPolarHBondContact O-CB 3.45Å; I301-N305 VanDerWaalsContact O-CG 3.26Å; I301-N305 PolarHBondContact O-N 2.79Å; I301-N305 PolarHBondContact O-ND2 3.18Å; I302-N305 PolarHBondContact O-N 3.35Å; N305-Q308 PolarHBondContact O-N 2.75Å; N305-S309 PolarHBondContact O-N 2.94Å; N305-P315 HydrophobicContact CB-CB 4.42Å; N305-P315 WeakPolarHBondContact OD1-CA 3.4Å; N305-I316 PolarHBondContact ND2-O 3.15Å; N305-I316 VanDerWaalsContact ND2-O 3.11Å; N305-I316 PolarHBondContact OD1-N 2.96Å
306L91.4Very high87.4Confident118 Ų11869.7 Ų69.762%0.61837%0.373SS*.Hα-helixtrans-65.1-40.9171.8-74.4172.3000111.9I302 H304 Q308 S309I302-L306 HydrophobicContact CG2-CD1 3.73Å; I302-L306 HydrophobicContact CG2-CG 4.34Å; I302-L306 WeakPolarHBondContact O-CB 3.46Å; I302-L306 VanDerWaalsContact O-CG 3.25Å; I302-L306 WeakPolarHBondContact O-CG 3.39Å; I302-L306 PolarHBondContact O-N 2.99Å; H304-L306 VanDerWaalsContact C-N 3.34Å; H304-L306 PolarHBondContact O-N 2.93Å; L306-Q308 VanDerWaalsContact C-N 3.31Å; L306-Q308 PolarHBondContact O-N 2.58Å; L306-S309 PolarHBondContact O-OG 3.1Å; L306-S309 VanDerWaalsContact O-OG 3.1Å
307N88.8Confident87.3Confident129 Ų12967.7 Ų67.769%0.6936%0.359SS*.Hα-helixtrans-72.6-25.2178.9-69.9-29.9000113E303 H304E303-N307 VanDerWaalsContact O-CG 3.24Å; E303-N307 PolarHBondContact O-N 2.92Å; E303-N307 PolarHBondContact O-ND2 3.07Å; H304-N307 PolarHBondContact O-N 3.4Å
308Q83.3Confident87.3Confident62 Ų6267.9 Ų67.929%0.2936%0.36SS..THydrogen-bonded Turntrans-91.2-1.6179.1-68.2-64.9-30.500113.8H304 N305 L306 N310 S311H304-Q308 WeakPolarHBondContact O-CG 3.39Å; H304-Q308 PolarHBondContact O-N 3.33Å; N305-Q308 PolarHBondContact O-N 2.75Å; L306-Q308 VanDerWaalsContact C-N 3.31Å; L306-Q308 PolarHBondContact O-N 2.58Å; Q308-N310 PolarHBondContact O-N 2.84Å; Q308-S311 PolarHBondContact O-N 3.36Å; Q308-S311 PolarHBondContact O-OG 2.98Å; Q308-S311 VanDerWaalsContact O-OG 3.05Å; Q308-S311 PolarHBondContact OE1-OG 2.99Å
309S67.7Low87.3Confident88 Ų8867.9 Ų67.962%0.61536%0.36SS*.THydrogen-bonded Turntrans-58.5-16-177.765.10000114.2N305 L306N305-S309 PolarHBondContact O-N 2.94Å; L306-S309 PolarHBondContact O-OG 3.1Å; L306-S309 VanDerWaalsContact O-OG 3.1Å
310N62.3Low87.3Confident157 Ų15763.5 Ų63.584%0.8434%0.341SS*.THydrogen-bonded Turntrans-96.8-1.8176.8-64.1-22.4000114Q308Q308-N310 PolarHBondContact O-N 2.84Å
311S67.3Low87.4Confident42 Ų4262.2 Ų62.229%0.29434%0.335SS..SBendtrans-106.1151.5176.478.20000110.3Q308 N313Q308-S311 PolarHBondContact O-N 3.36Å; Q308-S311 PolarHBondContact O-OG 2.98Å; Q308-S311 VanDerWaalsContact O-OG 3.05Å; Q308-S311 PolarHBondContact OE1-OG 2.99Å; S311-N313 PolarHBondContact O-N 2.98Å
312N68Low87.5Confident177 Ų17762 Ų6295%0.94733%0.333SS*.SBendtrans-72.411.9175.9-71.9-20.1000113.1
313N72.2Confident87.6Confident115 Ų11559.6 Ų59.662%0.61532%0.321SS*.SBendtrans-81.5139-179.1-71.9-11.5000110.3S311S311-N313 PolarHBondContact O-N 2.98Å
314Q78.6Confident87.7Confident98 Ų9854.4 Ų54.446%0.45830%0.297SS..PPolyproline II helixtrans-66.6137.8176.4-167.8178.3-22.100110.5R158R158-Q314 VanDerWaalsContact O-CD 3.24Å; R158-Q314 PolarHBondContact O-NE2 2.85Å; R158-Q314 PolarHBondContact O-OE1 2.97Å; R158-Q314 VanDerWaalsContact O-OE1 3.1Å
315P90.9Very high87.9Confident57 Ų5753.8 Ų53.837%0.3730%0.295SS..PPolyproline II helixtrans-58.8146.217624.4-35.8000111.3N305 D317N305-P315 HydrophobicContact CB-CB 4.42Å; N305-P315 WeakPolarHBondContact OD1-CA 3.4Å; P315-D317 PolarHBondContact O-N 3.28Å
316I95.1Very high88.1Confident12 Ų1254.7 Ų54.76%0.06230%0.297CS..PPolyproline II helixtrans-76.1121.5174.4-53.6-59.9000108.6V275 I301 N305V275-I316 WeakPolarHBondContact O-CG2 3.38Å; I301-I316 HydrophobicContact CD1-CB 3.83Å; I301-I316 HydrophobicContact CD1-CG2 3.51Å; I301-I316 WeakPolarHBondContact CG2-O 3.27Å; N305-I316 PolarHBondContact ND2-O 3.15Å; N305-I316 VanDerWaalsContact ND2-O 3.11Å; N305-I316 PolarHBondContact OD1-N 2.96Å
317D97.2Very high88.4Confident3 Ų349.1 Ų49.12%0.01627%0.268CS..PPolyproline II helixtrans-81.8134.4179.9-69.8-30.2000110.9M155 R158 S276 H277 P315 L344M155-D317 HydrophobicContact CE-CB 4.34Å; R158-D317 WeakPolarHBondContact CD-OD2 3.44Å; R158-D317 IonicContact CZ-OD1 3.87Å; R158-D317 IonicContact CZ-OD2 3.75Å; R158-D317 IonicContact NE-OD1 3.14Å; R158-D317 PolarHBondContact NE-OD1 3.44Å; R158-D317 VanDerWaalsContact NE-OD1 3.17Å; R158-D317 IonicContact NE-OD2 2.87Å; R158-D317 PolarHBondContact NE-OD2 2.99Å; R158-D317 IonicContact NH2-OD1 2.93Å; R158-D317 PolarHBondContact NH2-OD1 3.31Å; R158-D317 IonicContact NH2-OD2 3.77Å; S276-D317 CarbonylContact C-O 3.17Å; S276-D317 WeakPolarHBondContact CA-O 3.49Å; H277-D317 PolarHBondContact N-O 3.46Å; P315-D317 PolarHBondContact O-N 3.28Å; D317-L344 HydrophobicContact CB-CD1 4.21Å; D317-L344 HydrophobicContact CB-CD2 3.57Å
318L98.5Very high88.9Confident4 Ų443 Ų432%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-134.3120.4173.6177.678.4000110H277 I279 A297 I301 F340H277-L318 HydrophobicContact CB-CD1 3.53Å; H277-L318 WeakPolarHBondContact ND1-CD1 3.48Å; H277-L318 VanDerWaalsContact O-CA 3.31Å; H277-L318 WeakPolarHBondContact O-CA 3.37Å; I279-L318 HydrophobicContact CD1-CD1 3.76Å; I279-L318 HydrophobicContact CG1-CD1 4.29Å; A297-L318 HydrophobicContact CB-CD2 4.28Å; I301-L318 HydrophobicContact CB-CB 4.48Å; I301-L318 HydrophobicContact CB-CD2 4.38Å; I301-L318 HydrophobicContact CG1-CB 3.98Å; I301-L318 HydrophobicContact CG1-CD2 3.93Å; I301-L318 HydrophobicContact CG1-CG 4.45Å; I301-L318 HydrophobicContact CG2-CB 4.27Å; L318-F340 HydrophobicContact CD2-CD2 3.44Å; L318-F340 VanDerWaalsContact CD2-CD2 3.44Å; L318-F340 HydrophobicContact CD2-CE2 3.5Å; L318-F340 VanDerWaalsContact CD2-CE2 3.5Å; L318-F340 HydrophobicContact CD2-CG 4.46Å; L318-F340 HydrophobicContact CG-CD2 4.12Å; L318-F340 HydrophobicContact CG-CE2 4.29Å
319L98.8Very high89.6Confident0 Ų045.3 Ų45.30%025%0.248CC..EExtended strand (participates in β ladder)trans-126.3150.3173.9-68.3175.7000110.6C151 M155 H277 L278 I279 I337 A338 L344 V345 V348C151-L319 HydrophobicContact CB-CD1 3.98Å; M155-L319 HydrophobicContact CE-CB 3.78Å; M155-L319 HydrophobicContact CE-CD1 3.9Å; M155-L319 HydrophobicContact CE-CG 3.78Å; H277-L319 PolarHBondContact O-N 3.24Å; H277-L319 VanDerWaalsContact O-N 3.11Å; L278-L319 HydrophobicContact CD1-CB 3.88Å; I279-L319 PolarHBondContact N-O 3.36Å; L319-I337 HydrophobicContact CD2-CG2 4.39Å; L319-A338 WeakPolarHBondContact CA-O 3.47Å; L319-L344 HydrophobicContact CD1-CD1 4.44Å; L319-L344 HydrophobicContact CD1-CD2 4.29Å; L319-L344 HydrophobicContact CD1-CG 4.22Å; L319-L344 HydrophobicContact CD2-CD2 3.78Å; L319-L344 HydrophobicContact CD2-CG 3.95Å; L319-L344 HydrophobicContact CG-CD2 3.73Å; L319-L344 HydrophobicContact CG-CG 4.11Å; L319-V345 HydrophobicContact CD2-CG2 3.67Å; L319-V348 HydrophobicContact CD1-CG2 3.66Å
320Y98.8Very high91Very high0 Ų041.8 Ų41.80%022%0.222CC..EExtended strand (participates in β ladder)trans-134.4144.7169.568.3-86.1000111.1L126 T134 I279 N281 M291 I294 Q322 A338 F340L126-Y320 HydrophobicContact CD1-CE2 4.39Å; L126-Y320 HydrophobicContact CD2-CE2 4.27Å; T134-Y320 WeakPolarHBondContact CB-OH 3.4Å; T134-Y320 HydrophobicContact CG2-CE1 4.26Å; T134-Y320 VanDerWaalsContact CG2-OH 3.22Å; T134-Y320 WeakPolarHBondContact CG2-OH 3.17Å; T134-Y320 PolarHBondContact OG1-OH 3.32Å; I279-Y320 VanDerWaalsContact O-CA 3.28Å; I279-Y320 WeakPolarHBondContact O-CA 3.48Å; N281-Y320 HydrophobicContact CB-CD2 4.41Å; M291-Y320 HydrophobicContact CE-CE2 4.37Å; I294-Y320 HydrophobicContact CD1-CD2 4.06Å; I294-Y320 HydrophobicContact CD1-CG 4.33Å; I294-Y320 HydrophobicContact CG2-CD1 3.71Å; I294-Y320 HydrophobicContact CG2-CD2 4.28Å; I294-Y320 HydrophobicContact CG2-CE1 3.82Å; I294-Y320 HydrophobicContact CG2-CE2 4.38Å; I294-Y320 HydrophobicContact CG2-CG 3.94Å; Y320-Q322 VanDerWaalsContact CE2-NE2 3.33Å; Y320-A338 HydrophobicContact CD1-CB 4.09Å; Y320-A338 WeakPolarHBondContact CD1-O 3.23Å; Y320-A338 HydrophobicContact CD2-CB 4.14Å; Y320-A338 HydrophobicContact CE1-CB 3.55Å; Y320-A338 HydrophobicContact CE2-CB 3.6Å; Y320-A338 HydrophobicContact CG-CB 4.37Å; Y320-A338 PolarHBondContact N-O 3.12Å; Y320-A338 PolarHBondContact O-N 3.04Å; Y320-F340 HydrophobicContact CD1-CE2 4.01Å; Y320-F340 AromaticContact CE1-CE2 3.9Å; Y320-F340 HydrophobicContact CE1-CE2 3.9Å; Y320-F340 HydrophobicContact CE1-CZ 4.12Å
321V98.8Very high92.7Very high0 Ų038.5 Ų38.50%021%0.21CC..EExtended strand (participates in β ladder)trans-128.2129.3-173.2-169.50000110.5T144 L148 L278 I279 N281 A282 A335 V336 I337T144-V321 HydrophobicContact CG2-CG1 3.99Å; L148-V321 HydrophobicContact CD2-CB 3.94Å; L148-V321 HydrophobicContact CD2-CG2 3.73Å; L148-V321 HydrophobicContact CG-CB 4.25Å; L148-V321 HydrophobicContact CG-CG1 4.49Å; L148-V321 HydrophobicContact CG-CG2 4.28Å; L278-V321 HydrophobicContact CD1-CG2 4.36Å; I279-V321 PolarHBondContact O-N 2.79Å; N281-V321 CarbonylContact C-O 3.6Å; N281-V321 VanDerWaalsContact CA-O 3.24Å; N281-V321 WeakPolarHBondContact CA-O 3.42Å; N281-V321 WeakPolarHBondContact CB-O 3.29Å; N281-V321 PolarHBondContact N-O 3.08Å; A282-V321 PolarHBondContact N-O 3.26Å; V321-A335 HydrophobicContact CG1-CB 4.22Å; V321-V336 WeakPolarHBondContact CA-O 3.45Å; V321-I337 HydrophobicContact CG1-CG1 4.22Å; V321-I337 HydrophobicContact CG2-CG1 4.19Å
322Q98.7Very high94.2Very high0 Ų040.7 Ų40.70%022%0.221CC..EExtended strand (participates in β ladder)trans-123.5152.2175.543.2-96.4-25.700111.6L126 N281 V285 Y320 A335 V336L126-Q322 HydrophobicContact CD2-CG 4.4Å; N281-Q322 PolarHBondContact ND2-OE1 3.48Å; N281-Q322 WeakPolarHBondContact O-CB 3.46Å; V285-Q322 HydrophobicContact CG2-CB 3.74Å; V285-Q322 HydrophobicContact CG2-CG 3.64Å; Y320-Q322 VanDerWaalsContact CE2-NE2 3.33Å; Q322-A335 CarbonylContact O-C 3.56Å; Q322-A335 WeakPolarHBondContact O-CA 3.26Å; Q322-A335 VanDerWaalsContact O-CB 3.29Å; Q322-A335 WeakPolarHBondContact O-CB 3.48Å; Q322-V336 HydrophobicContact CG-CB 3.96Å; Q322-V336 PolarHBondContact N-O 3.48Å; Q322-V336 VanDerWaalsContact N-O 3.1Å; Q322-V336 PolarHBondContact NE2-O 2.88Å; Q322-V336 PolarHBondContact O-N 2.84Å
323S98.5Very high95.4Very high1 Ų133.3 Ų33.31%0.00719%0.186CC..EExtended strand (participates in β ladder)trans-83.8146.4173124.70000110.8T144 A282 D325 K326 N327T144-S323 WeakPolarHBondContact OG1-CA 3.33Å; T144-S323 WeakPolarHBondContact OG1-CB 3.41Å; T144-S323 PolarHBondContact OG1-N 2.63Å; A282-S323 PolarHBondContact O-N 2.88Å; S323-D325 WeakPolarHBondContact CB-OD1 3.22Å; S323-D325 PolarHBondContact OG-N 3.46Å; S323-D325 PolarHBondContact OG-OD1 3.1Å; S323-K326 WeakPolarHBondContact OG-CB 3.44Å; S323-K326 WeakPolarHBondContact OG-CG 3.45Å; S323-K326 PolarHBondContact OG-N 3.05Å; S323-N327 PolarHBondContact O-ND2 3.36Å
324T98.5Very high96.6Very high2 Ų227.8 Ų27.81%0.01216%0.157CC..SBendtrans-77.5-41.8174.855.60000111.2L139 K326 N327 L328 G334 V336L139-T324 HydrophobicContact CD1-CG2 4.06Å; T324-K326 PolarHBondContact O-N 3.41Å; T324-N327 PolarHBondContact O-N 3.2Å; T324-L328 WeakPolarHBondContact O-CA 3.41Å; T324-L328 WeakPolarHBondContact O-CB 3.46Å; T324-L328 PolarHBondContact O-N 3.33Å; T324-G334 PolarHBondContact N-O 3.39Å; T324-G334 VanDerWaalsContact OG1-C 3.29Å; T324-G334 VanDerWaalsContact OG1-CA 3.26Å; T324-G334 WeakPolarHBondContact OG1-CA 3.34Å; T324-G334 PolarHBondContact OG1-O 3.49Å; T324-G334 VanDerWaalsContact OG1-O 3.09Å; T324-V336 HydrophobicContact CG2-CG2 4.01Å
325D98.3Very high97.6Very high29 Ų2923.1 Ų23.116%0.15514%0.135CC..Hα-helixtrans-60.5-45-178.458.1-67.5000112.8S323 N327 M329 V330 V332S323-D325 WeakPolarHBondContact CB-OD1 3.22Å; S323-D325 PolarHBondContact OG-N 3.46Å; S323-D325 PolarHBondContact OG-OD1 3.1Å; D325-N327 VanDerWaalsContact C-N 3.33Å; D325-N327 PolarHBondContact O-N 2.64Å; D325-M329 WeakPolarHBondContact O-CA 3.48Å; D325-M329 PolarHBondContact O-N 3.02Å; D325-M329 VanDerWaalsContact O-N 3.09Å; D325-V330 WeakPolarHBondContact CA-O 3.2Å; D325-V330 WeakPolarHBondContact CB-O 3.28Å; D325-V332 HydrophobicContact CB-CG2 4.18Å
326K97.7Very high98Very high54 Ų5420.5 Ų20.524%0.23512%0.118CC..Hα-helixtrans-74.9-19.8-175.7-60.5-175.7177.9-151.10114.2Y283 Q286 S323 T324 M586Y283-K326 HydrophobicContact CD1-CD 4.12Å; Y283-K326 HydrophobicContact CG-CD 4.41Å; Q286-K326 PolarHBondContact NE2-O 2.76Å; S323-K326 WeakPolarHBondContact OG-CB 3.44Å; S323-K326 WeakPolarHBondContact OG-CG 3.45Å; S323-K326 PolarHBondContact OG-N 3.05Å; T324-K326 PolarHBondContact O-N 3.41Å; K326-M586 PolarHBondContact NZ-OXT 3.1Å
327N98.5Very high98.1Very high1 Ų119.9 Ų19.91%0.00512%0.115CC..Hα-helixtrans-112.5-26.4-177.5-61.5-76.5000113.3W125 A282 Y283 V285 Q286 S323 T324 D325 W376W125-N327 HydrophobicContact CH2-CB 3.79Å; W125-N327 HydrophobicContact CZ2-CB 3.85Å; A282-N327 PolarHBondContact O-ND2 3.36Å; Y283-N327 VanDerWaalsContact C-OD1 3.28Å; Y283-N327 WeakPolarHBondContact CA-OD1 3.4Å; V285-N327 HydrophobicContact CB-CB 4.24Å; V285-N327 PolarHBondContact N-OD1 2.86Å; V285-N327 VanDerWaalsContact N-OD1 3.14Å; Q286-N327 PolarHBondContact N-OD1 3.42Å; S323-N327 PolarHBondContact O-ND2 3.36Å; T324-N327 PolarHBondContact O-N 3.2Å; D325-N327 VanDerWaalsContact C-N 3.33Å; D325-N327 PolarHBondContact O-N 2.64Å; N327-W376 VanDerWaalsContact O-CZ3 3.32Å; N327-W376 WeakPolarHBondContact O-CZ3 3.2Å
328L98.3Very high98.2Very high2 Ų219.8 Ų19.81%0.0111%0.114CC..Hα-helixtrans-120.27.5-175.5-62.4176000113.1L122 W125 T324 V330 T364 T367 L368 W376L122-L328 HydrophobicContact CD2-CD1 4.12Å; W125-L328 HydrophobicContact CD2-CD2 4.41Å; W125-L328 HydrophobicContact CH2-CD1 4.35Å; W125-L328 HydrophobicContact CH2-CD2 4.26Å; W125-L328 HydrophobicContact CH2-CG 4.12Å; W125-L328 HydrophobicContact CZ2-CD2 3.63Å; W125-L328 HydrophobicContact CZ2-CG 3.96Å; T324-L328 WeakPolarHBondContact O-CA 3.41Å; T324-L328 WeakPolarHBondContact O-CB 3.46Å; T324-L328 PolarHBondContact O-N 3.33Å; L328-V330 HydrophobicContact CB-CG1 4.4Å; L328-V330 PolarHBondContact O-N 3.07Å; L328-T364 HydrophobicContact CD1-CG2 3.7Å; L328-T367 HydrophobicContact CB-CG2 4.43Å; L328-T367 VanDerWaalsContact O-CG2 3.28Å; L328-T367 WeakPolarHBondContact O-CG2 3.44Å; L328-L368 HydrophobicContact CD1-CD2 4.11Å; L328-L368 HydrophobicContact CD1-CG 4.37Å; L328-L368 HydrophobicContact CD2-CD2 3.84Å; L328-W376 HydrophobicContact CD2-CZ3 4.32Å
329M98.1Very high98.2Very high109 Ų10919.6 Ų19.654%0.53711%0.113SC..  trans56.737.4174.9-54.3168.255.600113.2D325 L379 I505D325-M329 WeakPolarHBondContact O-CA 3.48Å; D325-M329 PolarHBondContact O-N 3.02Å; D325-M329 VanDerWaalsContact O-N 3.09Å; M329-L379 HydrophobicContact SD-CD1 4.36Å; M329-L379 HydrophobicContact SD-CD2 4.44Å; M329-I505 HydrophobicContact CG-CG2 4.45Å
330V98.3Very high98.2Very high14 Ų1420.5 Ų20.59%0.08512%0.118CC..  trans-104.9166.6175.4-63.50000110.6D325 L328 D363 T367D325-V330 WeakPolarHBondContact CA-O 3.2Å; D325-V330 WeakPolarHBondContact CB-O 3.28Å; L328-V330 HydrophobicContact CB-CG1 4.4Å; L328-V330 PolarHBondContact O-N 3.07Å; V330-D363 HydrophobicContact CB-CB 4.06Å; V330-D363 HydrophobicContact CG1-CB 4.01Å; V330-T367 WeakPolarHBondContact CG1-OG1 3.34Å
331P98.4Very high98Very high88 Ų8822.4 Ų22.457%0.57113%0.13SC*.  trans-56.2149.6174.7-26.836.4000113.5G333P331-G333 PolarHBondContact O-N 2.7Å
332V97.6Very high97.9Very high89 Ų8926.2 Ų26.254%0.53915%0.151SC..SBendtrans-60.2133.5176-179.30000110D325 M586D325-V332 HydrophobicContact CB-CG2 4.18Å; V332-M586 HydrophobicContact CG1-SD 4.24Å
333G93.9Very high97.7Very high21 Ų2131.9 Ų31.922%0.21618%0.181CC..SBendtrans141.8-1.1172.900000115.8P141 M142 P331P141-G333 CarbonylContact C-O 3.56Å; P141-G333 WeakPolarHBondContact CA-O 3.28Å; M142-G333 CarbonylContact C-O 3.52Å; M142-G333 WeakPolarHBondContact CA-O 3.26Å; M142-G333 PolarHBondContact N-O 3.07Å; P331-G333 PolarHBondContact O-N 2.7Å
334G97.8Very high97.6Very high0 Ų031.9 Ų31.90%018%0.181CC..  trans-117.7152.5174.200000113.1M142 T324M142-G334 CarbonylContact O-C 3.52Å; M142-G334 VanDerWaalsContact O-C 3.31Å; T324-G334 PolarHBondContact N-O 3.39Å; T324-G334 VanDerWaalsContact OG1-C 3.29Å; T324-G334 VanDerWaalsContact OG1-CA 3.26Å; T324-G334 WeakPolarHBondContact OG1-CA 3.34Å; T324-G334 PolarHBondContact OG1-O 3.49Å; T324-G334 VanDerWaalsContact OG1-O 3.09Å
335A98.6Very high97.6Very high0 Ų031.8 Ų31.80%018%0.18CC..EExtended strand (participates in β ladder)trans-143.3159.6168.400000110.1L139 V140 M142 S147 V321 Q322L139-A335 WeakPolarHBondContact CA-O 3.49Å; V140-A335 HydrophobicContact CG1-CB 4.15Å; V140-A335 WeakPolarHBondContact CG1-O 3.44Å; V140-A335 PolarHBondContact N-O 2.88Å; V140-A335 PolarHBondContact O-N 3.27Å; M142-A335 WeakPolarHBondContact O-CB 2.99Å; M142-A335 PolarHBondContact O-N 2.82Å; S147-A335 WeakPolarHBondContact OG-CB 3.43Å; V321-A335 HydrophobicContact CG1-CB 4.22Å; Q322-A335 CarbonylContact O-C 3.56Å; Q322-A335 WeakPolarHBondContact O-CA 3.26Å; Q322-A335 VanDerWaalsContact O-CB 3.29Å; Q322-A335 WeakPolarHBondContact O-CB 3.48Å
336V98.7Very high97.5Very high1 Ų133.7 Ų33.71%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-116.1120.9176.1-173.60000108.1L122 L126 C137 F138 V321 Q322 T324L122-V336 HydrophobicContact CD1-CG1 4.25Å; L122-V336 HydrophobicContact CD1-CG2 3.75Å; L122-V336 HydrophobicContact CD2-CG2 3.88Å; L122-V336 HydrophobicContact CG-CG2 4.4Å; L126-V336 HydrophobicContact CD1-CG1 4.17Å; C137-V336 HydrophobicContact CB-CG1 3.85Å; F138-V336 WeakPolarHBondContact O-CA 3.46Å; V321-V336 WeakPolarHBondContact CA-O 3.45Å; Q322-V336 HydrophobicContact CG-CB 3.96Å; Q322-V336 PolarHBondContact N-O 3.48Å; Q322-V336 VanDerWaalsContact N-O 3.1Å; Q322-V336 PolarHBondContact NE2-O 2.88Å; Q322-V336 PolarHBondContact O-N 2.84Å; T324-V336 HydrophobicContact CG2-CG2 4.01Å
337I98.8Very high97.4Very high0 Ų034.3 Ų34.30%019%0.193CC..EExtended strand (participates in β ladder)trans-95.2125.9172-63.5170.6000107C137 F138 V140 L150 L319 V321 V348C137-I337 CarbonylContact C-O 3.4Å; C137-I337 WeakPolarHBondContact CA-O 3.38Å; C137-I337 WeakPolarHBondContact CB-O 3.35Å; F138-I337 HydrophobicContact CD1-CB 4.27Å; F138-I337 HydrophobicContact CE1-CB 3.79Å; F138-I337 HydrophobicContact CE1-CD1 4.25Å; F138-I337 HydrophobicContact CE1-CG2 3.95Å; F138-I337 HydrophobicContact CE2-CD1 4.37Å; F138-I337 HydrophobicContact CZ-CB 4.12Å; F138-I337 HydrophobicContact CZ-CD1 3.73Å; F138-I337 HydrophobicContact CZ-CG1 4.44Å; F138-I337 PolarHBondContact N-O 3.26Å; F138-I337 PolarHBondContact O-N 3.41Å; V140-I337 HydrophobicContact CG1-CD1 3.83Å; V140-I337 HydrophobicContact CG1-CG1 4.04Å; L150-I337 HydrophobicContact CD2-CD1 4.23Å; L319-I337 HydrophobicContact CD2-CG2 4.39Å; V321-I337 HydrophobicContact CG1-CG1 4.22Å; V321-I337 HydrophobicContact CG2-CG1 4.19Å; I337-V348 HydrophobicContact CD1-CG1 3.89Å; I337-V348 HydrophobicContact CG2-CG1 4.35Å
338A98.8Very high97.3Very high0 Ų034.3 Ų34.30%019%0.193CC..EExtended strand (participates in β ladder)trans-134.9155.5-177.300000111.2L126 T134 V136 C137 L319 Y320L126-A338 HydrophobicContact CD1-CB 3.78Å; T134-A338 HydrophobicContact CG2-CB 4.17Å; V136-A338 WeakPolarHBondContact O-CA 3.39Å; C137-A338 HydrophobicContact CB-CB 3.6Å; L319-A338 WeakPolarHBondContact CA-O 3.47Å; Y320-A338 HydrophobicContact CD1-CB 4.09Å; Y320-A338 WeakPolarHBondContact CD1-O 3.23Å; Y320-A338 HydrophobicContact CD2-CB 4.14Å; Y320-A338 HydrophobicContact CE1-CB 3.55Å; Y320-A338 HydrophobicContact CE2-CB 3.6Å; Y320-A338 HydrophobicContact CG-CB 4.37Å; Y320-A338 PolarHBondContact N-O 3.12Å; Y320-A338 PolarHBondContact O-N 3.04Å
339G98.4Very high97.3Very high0 Ų034.3 Ų34.30%019%0.193CC..EExtended strand (participates in β ladder)trans-159.8-179.6-178.100000113.2S135 V136S135-G339 PolarHBondContact N-O 3.13Å; S135-G339 PolarHBondContact OG-O 2.89Å; V136-G339 PolarHBondContact O-N 3.37Å; V136-G339 VanDerWaalsContact O-N 3.1Å
340F97.9Very high97.2Very high20 Ų2034.8 Ų34.89%0.08819%0.193CC..SBendtrans-110.75.3-178.5-59.1-90.1000112.4S133 I294 G298 I302 L318 Y320S133-F340 VanDerWaalsContact O-CD1 3.31Å; S133-F340 WeakPolarHBondContact O-CD1 3.23Å; I294-F340 HydrophobicContact CG2-CE2 4.15Å; I294-F340 HydrophobicContact CG2-CZ 3.91Å; G298-F340 VanDerWaalsContact CA-CZ 3.47Å; I302-F340 HydrophobicContact CD1-CB 4.18Å; I302-F340 HydrophobicContact CD1-CD1 3.9Å; I302-F340 HydrophobicContact CD1-CG 4.45Å; I302-F340 HydrophobicContact CG1-CB 4.1Å; L318-F340 HydrophobicContact CD2-CD2 3.44Å; L318-F340 VanDerWaalsContact CD2-CD2 3.44Å; L318-F340 HydrophobicContact CD2-CE2 3.5Å; L318-F340 VanDerWaalsContact CD2-CE2 3.5Å; L318-F340 HydrophobicContact CD2-CG 4.46Å; L318-F340 HydrophobicContact CG-CD2 4.12Å; L318-F340 HydrophobicContact CG-CE2 4.29Å; Y320-F340 HydrophobicContact CD1-CE2 4.01Å; Y320-F340 AromaticContact CE1-CE2 3.9Å; Y320-F340 HydrophobicContact CE1-CE2 3.9Å; Y320-F340 HydrophobicContact CE1-CZ 4.12Å
341C95.6Very high97Very high40 Ų4035.4 Ų35.427%0.2720%0.195SC..  trans-134.5123.6176.5174.80000108.8S135 L344 V345S135-C341 PolarHBondContact OG-N 3.36Å; C341-L344 HydrophobicContact CB-CB 4.09Å; C341-L344 PolarHBondContact O-N 3.44Å; C341-V345 PolarHBondContact O-N 3.08Å
342N96.4Very high97Very high79 Ų7933 Ų3342%0.42218%0.175SC..Hα-helixtrans-65.7-45.6-177.3-65.8-6.5000111.8S135 V136 L344 V345 D346S135-N342 VanDerWaalsContact CB-OD1 3.27Å; S135-N342 WeakPolarHBondContact CB-OD1 3.27Å; S135-N342 PolarHBondContact OG-OD1 2.95Å; V136-N342 WeakPolarHBondContact CB-OD1 3.18Å; V136-N342 HydrophobicContact CG1-CB 4.3Å; V136-N342 WeakPolarHBondContact CG1-OD1 3.42Å; N342-L344 VanDerWaalsContact C-N 3.25Å; N342-L344 PolarHBondContact O-N 3.16Å; N342-V345 PolarHBondContact O-N 3.26Å; N342-V345 VanDerWaalsContact O-N 3.16Å; N342-D346 WeakPolarHBondContact O-CB 3.48Å; N342-D346 PolarHBondContact O-N 3.24Å
343D95Very high96.8Very high120 Ų12034.1 Ų34.164%0.64218%0.184SC*.Hα-helixtrans-57.2-39.2-179.3-62.1-17000112.3F347D343-F347 WeakPolarHBondContact O-CB 3.38Å; D343-F347 PolarHBondContact O-N 3.44Å
344L96.4Very high96.8Very high0 Ų034.1 Ų34.10%018%0.184CC..Hα-helixtrans-66.6-48.1178.2176.261.5000111.7D317 L319 C341 N342 F347 V348D317-L344 HydrophobicContact CB-CD1 4.21Å; D317-L344 HydrophobicContact CB-CD2 3.57Å; L319-L344 HydrophobicContact CD1-CD1 4.44Å; L319-L344 HydrophobicContact CD1-CD2 4.29Å; L319-L344 HydrophobicContact CD1-CG 4.22Å; L319-L344 HydrophobicContact CD2-CD2 3.78Å; L319-L344 HydrophobicContact CD2-CG 3.95Å; L319-L344 HydrophobicContact CG-CD2 3.73Å; L319-L344 HydrophobicContact CG-CG 4.11Å; C341-L344 HydrophobicContact CB-CB 4.09Å; C341-L344 PolarHBondContact O-N 3.44Å; N342-L344 VanDerWaalsContact C-N 3.25Å; N342-L344 PolarHBondContact O-N 3.16Å; L344-F347 WeakPolarHBondContact O-CB 3.25Å; L344-F347 PolarHBondContact O-N 3.31Å; L344-V348 VanDerWaalsContact O-CG2 3.24Å; L344-V348 WeakPolarHBondContact O-CG2 3.09Å; L344-V348 PolarHBondContact O-N 2.83Å
345V97.6Very high96.6Very high1 Ų137 Ų371%0.00620%0.195CC..Hα-helixtrans-68.8-40.2-178.2175.90000110.9V136 F138 L319 C341 N342 F347 V348 A349V136-V345 HydrophobicContact CG1-CB 3.44Å; V136-V345 VanDerWaalsContact CG1-CB 3.44Å; V136-V345 HydrophobicContact CG1-CG1 3.75Å; V136-V345 HydrophobicContact CG1-CG2 3.65Å; V136-V345 HydrophobicContact CG2-CG1 4.38Å; F138-V345 HydrophobicContact CD1-CG1 3.54Å; F138-V345 HydrophobicContact CE1-CG1 3.82Å; L319-V345 HydrophobicContact CD2-CG2 3.67Å; C341-V345 PolarHBondContact O-N 3.08Å; N342-V345 PolarHBondContact O-N 3.26Å; N342-V345 VanDerWaalsContact O-N 3.16Å; V345-F347 VanDerWaalsContact C-N 3.3Å; V345-F347 PolarHBondContact O-N 3.36Å; V345-V348 WeakPolarHBondContact O-CB 3.41Å; V345-V348 PolarHBondContact O-N 3.36Å; V345-A349 PolarHBondContact O-N 3.23Å
346D95.8Very high96.5Very high68 Ų6837.4 Ų37.436%0.36420%0.199SC..Hα-helixtrans-63.1-37.3173.9-75.7-7000111.6N342 A349 K350N342-D346 WeakPolarHBondContact O-CB 3.48Å; N342-D346 PolarHBondContact O-N 3.24Å; D346-A349 PolarHBondContact O-N 3.4Å; D346-K350 WeakPolarHBondContact O-CB 3.25Å; D346-K350 VanDerWaalsContact O-CG 3.31Å; D346-K350 WeakPolarHBondContact O-CG 3.17Å; D346-K350 PolarHBondContact O-N 3.47Å
347F96.3Very high96.4Very high68 Ų6840.6 Ų40.630%0.29822%0.221SC..Hα-helixtrans-63.4-41.2174.1-177.9-109.4000111.9A154 R157 R158 D343 L344 V345 K350 L351A154-F347 HydrophobicContact CB-CD1 3.94Å; A154-F347 HydrophobicContact CB-CE1 4.05Å; R157-F347 HydrophobicContact CB-CE1 4.1Å; R157-F347 HydrophobicContact CB-CZ 4Å; R158-F347 HydrophobicContact CG-CD1 4.39Å; R158-F347 HydrophobicContact CG-CE1 4.1Å; D343-F347 WeakPolarHBondContact O-CB 3.38Å; D343-F347 PolarHBondContact O-N 3.44Å; L344-F347 WeakPolarHBondContact O-CB 3.25Å; L344-F347 PolarHBondContact O-N 3.31Å; V345-F347 VanDerWaalsContact C-N 3.3Å; V345-F347 PolarHBondContact O-N 3.36Å; F347-K350 PolarHBondContact O-N 3.13Å; F347-L351 PolarHBondContact O-N 3.29Å; F347-L351 VanDerWaalsContact O-N 3.16Å
348V97.5Very high96.3Very high0 Ų041.7 Ų41.70%023%0.232CC..Hα-helixtrans-64-42.2174.6-177.10000110.8F138 L150 A154 L319 I337 L344 V345 L351F138-V348 HydrophobicContact CE1-CB 4.34Å; F138-V348 HydrophobicContact CE1-CG1 4.32Å; F138-V348 HydrophobicContact CZ-CB 4.42Å; F138-V348 HydrophobicContact CZ-CG1 4.05Å; L150-V348 HydrophobicContact CD2-CG1 3.97Å; L150-V348 HydrophobicContact CG-CG1 3.83Å; A154-V348 HydrophobicContact CB-CB 4.3Å; A154-V348 HydrophobicContact CB-CG2 3.55Å; L319-V348 HydrophobicContact CD1-CG2 3.66Å; I337-V348 HydrophobicContact CD1-CG1 3.89Å; I337-V348 HydrophobicContact CG2-CG1 4.35Å; L344-V348 VanDerWaalsContact O-CG2 3.24Å; L344-V348 WeakPolarHBondContact O-CG2 3.09Å; L344-V348 PolarHBondContact O-N 2.83Å; V345-V348 WeakPolarHBondContact O-CB 3.41Å; V345-V348 PolarHBondContact O-N 3.36Å; V348-L351 WeakPolarHBondContact O-CB 3.5Å; V348-L351 PolarHBondContact O-N 2.96Å
349A96.7Very high96.2Very high2 Ų242.9 Ų42.92%0.01724%0.241CC..Hα-helixtrans-62.6-44.4178.100000112.3I101 F138 V345 D346 L351 Y352I101-A349 HydrophobicContact CG2-CB 3.99Å; I101-A349 WeakPolarHBondContact CG2-O 3.24Å; F138-A349 HydrophobicContact CD1-CB 4.2Å; F138-A349 HydrophobicContact CD2-CB 4.39Å; F138-A349 HydrophobicContact CE1-CB 3.91Å; F138-A349 HydrophobicContact CE2-CB 4.1Å; F138-A349 HydrophobicContact CG-CB 4.43Å; F138-A349 HydrophobicContact CZ-CB 3.85Å; V345-A349 PolarHBondContact O-N 3.23Å; D346-A349 PolarHBondContact O-N 3.4Å; A349-L351 PolarHBondContact O-N 3.33Å; A349-Y352 WeakPolarHBondContact O-CB 3.33Å; A349-Y352 PolarHBondContact O-N 2.87Å
350K96.1Very high96.2Very high120 Ų12043.7 Ų43.752%0.52225%0.246SC..Hα-helixtrans-67.7-19177-71167.9-174.1167.20113.7D100 D346 F347 Y352D100-K350 HydrophobicContact CB-CG 4.4Å; D346-K350 WeakPolarHBondContact O-CB 3.25Å; D346-K350 VanDerWaalsContact O-CG 3.31Å; D346-K350 WeakPolarHBondContact O-CG 3.17Å; D346-K350 PolarHBondContact O-N 3.47Å; F347-K350 PolarHBondContact O-N 3.13Å; K350-Y352 VanDerWaalsContact C-N 3.29Å
351L95.9Very high96.2Very high27 Ų2742.9 Ų42.914%0.14124%0.242CC..Hα-helixtrans-75.2-20.1177.1-17259.4000112.6L150 L153 A154 F347 V348 A349 P353L150-L351 HydrophobicContact CD1-CB 4.01Å; L150-L351 HydrophobicContact CD1-CD2 4.03Å; L150-L351 HydrophobicContact CD1-CG 3.89Å; L153-L351 HydrophobicContact CB-CD2 3.75Å; A154-L351 HydrophobicContact CB-CD2 3.9Å; F347-L351 PolarHBondContact O-N 3.29Å; F347-L351 VanDerWaalsContact O-N 3.16Å; V348-L351 WeakPolarHBondContact O-CB 3.5Å; V348-L351 PolarHBondContact O-N 2.96Å; A349-L351 PolarHBondContact O-N 3.33Å; L351-P353 WeakPolarHBondContact O-CD 3.43Å
352Y96.5Very high96.3Very high38 Ų3841.5 Ų41.515%0.14923%0.232CC..SBendtrans-69.2119.3177.2-171.2-79.5000110.7I101 V140 M142 L150 A349 K350 G354 A356I101-Y352 HydrophobicContact CB-CD1 4.25Å; I101-Y352 HydrophobicContact CB-CG 4.34Å; I101-Y352 HydrophobicContact CD1-CD1 3.87Å; I101-Y352 HydrophobicContact CD1-CD2 4.05Å; I101-Y352 HydrophobicContact CD1-CE1 4.12Å; I101-Y352 HydrophobicContact CD1-CE2 4.27Å; I101-Y352 HydrophobicContact CD1-CG 3.85Å; I101-Y352 HydrophobicContact CG1-CD1 4.32Å; V140-Y352 HydrophobicContact CG2-CD2 4.15Å; V140-Y352 HydrophobicContact CG2-CE2 4.21Å; M142-Y352 HydrophobicContact CE-CD2 3.91Å; M142-Y352 HydrophobicContact CE-CE2 3.75Å; M142-Y352 HydrophobicContact CG-CE2 4.2Å; M142-Y352 HydrophobicContact SD-CD2 4.48Å; M142-Y352 HydrophobicContact SD-CE2 3.77Å; L150-Y352 HydrophobicContact CD2-CD2 4.32Å; A349-Y352 WeakPolarHBondContact O-CB 3.33Å; A349-Y352 PolarHBondContact O-N 2.87Å; K350-Y352 VanDerWaalsContact C-N 3.29Å; Y352-G354 PolarHBondContact O-N 3.09Å; Y352-A356 HydrophobicContact CE1-CB 3.71Å
353P94.4Very high96.4Very high111 Ų11139.9 Ų39.972%0.72122%0.224SC*.  trans-83.1120.7-17832.1-32.5000111.4L351L351-P353 WeakPolarHBondContact O-CD 3.43Å
354G93.5Very high96.5Very high22 Ų2234.2 Ų34.223%0.22719%0.193CC..SBendtrans92.9-175.5172.700000115.1R97 S98 Y352R97-G354 CarbonylContact O-C 3.48Å; S98-G354 WeakPolarHBondContact O-CA 3.27Å; S98-G354 PolarHBondContact O-N 2.93Å; Y352-G354 PolarHBondContact O-N 3.09Å
355R94Very high96.6Very high60 Ų6034.2 Ų34.223%0.22619%0.193CC..  trans-79.6156.3170.1-60.1-169-166-171.6-0109.9H93 I95 Q105H93-R355 PolarHBondContact O-NH1 2.96Å; I95-R355 WeakPolarHBondContact O-CA 3.43Å; I95-R355 WeakPolarHBondContact O-CB 3.42Å; Q105-R355 VanDerWaalsContact CD-CZ 3.46Å
356A96.2Very high96.6Very high9 Ų935.2 Ų35.27%0.07420%0.202CC..BIsolated β-bridgetrans-124.6166.6-179.200000112.3G94 I95 I101 P141 Y352G94-A356 CarbonylContact C-O 3.54Å; G94-A356 VanDerWaalsContact CA-O 3.27Å; G94-A356 WeakPolarHBondContact CA-O 3.41Å; I95-A356 HydrophobicContact CD1-CB 4.34Å; I95-A356 HydrophobicContact CG1-CB 3.93Å; I95-A356 PolarHBondContact N-O 3.15Å; I95-A356 PolarHBondContact O-N 3.03Å; I95-A356 VanDerWaalsContact O-N 3.13Å; I101-A356 HydrophobicContact CD1-CB 3.6Å; I101-A356 HydrophobicContact CG1-CB 4.08Å; P141-A356 HydrophobicContact CG-CB 3.3Å; Y352-A356 HydrophobicContact CE1-CB 3.71Å
357S97Very high96.8Very high68 Ų6833.5 Ų33.548%0.47619%0.194SC..  trans-62.7135.2177.7-178.80000111.3P141 S359P141-S357 WeakPolarHBondContact CB-O 3.48Å; P141-S357 WeakPolarHBondContact CG-O 3.5Å; S357-S359 PolarHBondContact OG-N 3.31Å
358G96Very high96.9Very high23 Ų2330.3 Ų30.324%0.23718%0.18CC..SBendtrans-85.2-8.2173.800000114.4T361 L362G358-T361 WeakPolarHBondContact O-CB 3.36Å; G358-T361 PolarHBondContact O-N 3.43Å; G358-L362 PolarHBondContact O-N 3.44Å
359S97.7Very high96.9Very high25 Ų2530.3 Ų30.318%0.17518%0.18CC..Hα-helixtrans-60.9-49.8-175-158.30000112.4S357 T361 L362 D363S357-S359 PolarHBondContact OG-N 3.31Å; S359-T361 PolarHBondContact O-N 3.17Å; S359-L362 WeakPolarHBondContact O-CB 3.41Å; S359-L362 PolarHBondContact O-N 2.84Å; S359-L362 VanDerWaalsContact O-N 3.08Å; S359-D363 VanDerWaalsContact O-CG 3.29Å; S359-D363 PolarHBondContact O-N 3.18Å
360P97.9Very high96.9Very high17 Ų1736.2 Ų36.211%0.1120%0.203CC..Hα-helixtrans-64.9-29179.9-23.337.4000113L139 P141 T364L139-P360 HydrophobicContact CD2-CB 4.24Å; P141-P360 HydrophobicContact CB-CB 4.22Å; P141-P360 HydrophobicContact CB-CG 3.65Å; P360-T364 VanDerWaalsContact O-CB 3.22Å; P360-T364 WeakPolarHBondContact O-CB 3.38Å; P360-T364 PolarHBondContact O-N 3.09Å; P360-T364 VanDerWaalsContact O-N 3.1Å; P360-T364 PolarHBondContact O-OG1 3.47Å
361T97.7Very high97Very high2 Ų231.7 Ų31.71%0.01218%0.184CC..Hα-helixtrans-65.1-47.6172-52.50000110.9I114 C115 T118 G358 S359 T364 F365I114-T361 HydrophobicContact CG2-CG2 3.88Å; C115-T361 HydrophobicContact CB-CG2 4.29Å; T118-T361 HydrophobicContact CG2-CG2 4.1Å; T118-T361 WeakPolarHBondContact OG1-CG2 3.32Å; G358-T361 WeakPolarHBondContact O-CB 3.36Å; G358-T361 PolarHBondContact O-N 3.43Å; S359-T361 PolarHBondContact O-N 3.17Å; T361-T364 PolarHBondContact O-N 3.39Å; T361-F365 WeakPolarHBondContact O-CB 3.29Å; T361-F365 PolarHBondContact O-N 3.48Å
362L97.6Very high97Very high12 Ų1230.4 Ų30.46%0.06318%0.177CC..Hα-helixtrans-61.5-47.7-179.3-170.268.7000111.6F55 Y89 F91 I114 G358 S359 T364 F365 A366F55-L362 HydrophobicContact CD1-CD1 4.18Å; F55-L362 HydrophobicContact CD2-CD1 3.66Å; F55-L362 HydrophobicContact CD2-CG 4.24Å; F55-L362 HydrophobicContact CE1-CD1 3.93Å; F55-L362 HydrophobicContact CE2-CD1 3.32Å; F55-L362 HydrophobicContact CE2-CD2 4.33Å; F55-L362 HydrophobicContact CE2-CG 3.66Å; F55-L362 HydrophobicContact CG-CD1 4.05Å; F55-L362 HydrophobicContact CZ-CD1 3.45Å; F55-L362 VanDerWaalsContact CZ-CD1 3.45Å; F55-L362 HydrophobicContact CZ-CG 4.04Å; Y89-L362 HydrophobicContact CD2-CD2 4Å; F91-L362 HydrophobicContact CD2-CD1 3.95Å; F91-L362 HydrophobicContact CD2-CD2 4.42Å; F91-L362 HydrophobicContact CE2-CD1 3.92Å; I114-L362 HydrophobicContact CD1-CD1 4.27Å; G358-L362 PolarHBondContact O-N 3.44Å; S359-L362 WeakPolarHBondContact O-CB 3.41Å; S359-L362 PolarHBondContact O-N 2.84Å; S359-L362 VanDerWaalsContact O-N 3.08Å; L362-T364 PolarHBondContact O-N 3.41Å; L362-F365 PolarHBondContact O-N 3.16Å; L362-A366 WeakPolarHBondContact O-CB 3.44Å; L362-A366 PolarHBondContact O-N 3.21Å
363D98.2Very high97Very high45 Ų4530.5 Ų30.524%0.24118%0.18CC..Hα-helixtrans-62.1-46.4179.8-58.9-23.5000110.6V330 S359 F365 A366 T367V330-D363 HydrophobicContact CB-CB 4.06Å; V330-D363 HydrophobicContact CG1-CB 4.01Å; S359-D363 VanDerWaalsContact O-CG 3.29Å; S359-D363 PolarHBondContact O-N 3.18Å; D363-F365 PolarHBondContact O-N 2.77Å; D363-A366 PolarHBondContact O-N 2.91Å; D363-T367 PolarHBondContact O-N 3.27Å; D363-T367 PolarHBondContact O-OG1 3.48Å; D363-T367 VanDerWaalsContact O-OG1 3.13Å
364T98.4Very high97.2Very high0 Ų031.1 Ų31.10%017%0.171CC..Hα-helixtrans-63.5-42.8178-61.30000111.6T118 L122 L139 L328 P360 T361 L362 T367 L368T118-T364 HydrophobicContact CG2-CG2 3.91Å; L122-T364 HydrophobicContact CD1-CG2 4.18Å; L122-T364 HydrophobicContact CD2-CG2 3.84Å; L122-T364 HydrophobicContact CG-CG2 4.17Å; L139-T364 HydrophobicContact CD1-CG2 3.87Å; L139-T364 WeakPolarHBondContact CD1-OG1 3.35Å; L328-T364 HydrophobicContact CD1-CG2 3.7Å; P360-T364 VanDerWaalsContact O-CB 3.22Å; P360-T364 WeakPolarHBondContact O-CB 3.38Å; P360-T364 PolarHBondContact O-N 3.09Å; P360-T364 VanDerWaalsContact O-N 3.1Å; P360-T364 PolarHBondContact O-OG1 3.47Å; T361-T364 PolarHBondContact O-N 3.39Å; L362-T364 PolarHBondContact O-N 3.41Å; T364-T367 PolarHBondContact O-N 3Å; T364-L368 HydrophobicContact CG2-CD1 3.84Å; T364-L368 HydrophobicContact CG2-CG 4.29Å; T364-L368 WeakPolarHBondContact O-CB 3.49Å; T364-L368 VanDerWaalsContact O-CG 3.25Å; T364-L368 WeakPolarHBondContact O-CG 3.37Å; T364-L368 PolarHBondContact O-N 3.49Å
365F97.9Very high97.4Very high1 Ų130.9 Ų30.90%0.00417%0.17CC..Hα-helixtrans-62.8-48.5179.1-174.4-125.5000111.7L54 F55 I114 L117 T118 L121 T361 L362 D363 T367 L368 L369L54-F365 HydrophobicContact CD2-CE1 4.01Å; L54-F365 HydrophobicContact CD2-CZ 4.1Å; F55-F365 HydrophobicContact CD1-CD1 4.42Å; F55-F365 HydrophobicContact CD1-CE1 4.41Å; F55-F365 AromaticContact CE1-CD1 3.41Å; F55-F365 HydrophobicContact CE1-CD1 3.41Å; F55-F365 VanDerWaalsContact CE1-CD1 3.41Å; F55-F365 AromaticContact CE1-CE1 3.69Å; F55-F365 HydrophobicContact CE1-CE1 3.69Å; F55-F365 AromaticContact CZ-CD1 3.98Å; F55-F365 HydrophobicContact CZ-CD1 3.98Å; I114-F365 HydrophobicContact CG1-CD1 4.18Å; I114-F365 HydrophobicContact CG1-CE1 4.1Å; I114-F365 HydrophobicContact CG2-CB 4.24Å; I114-F365 HydrophobicContact CG2-CD1 3.89Å; I114-F365 HydrophobicContact CG2-CG 4.11Å; L117-F365 HydrophobicContact CB-CE2 4.23Å; L117-F365 HydrophobicContact CD2-CE2 3.54Å; L117-F365 HydrophobicContact CD2-CZ 3.6Å; L117-F365 HydrophobicContact CG-CE2 3.77Å; L117-F365 HydrophobicContact CG-CZ 4.33Å; T118-F365 HydrophobicContact CG2-CB 4.4Å; T118-F365 WeakPolarHBondContact OG1-CB 3.4Å; L121-F365 HydrophobicContact CD1-CD2 3.83Å; L121-F365 HydrophobicContact CD1-CE2 3.67Å; T361-F365 WeakPolarHBondContact O-CB 3.29Å; T361-F365 PolarHBondContact O-N 3.48Å; L362-F365 PolarHBondContact O-N 3.16Å; D363-F365 PolarHBondContact O-N 2.77Å; F365-T367 VanDerWaalsContact C-N 3.34Å; F365-T367 PolarHBondContact O-N 3.26Å; F365-L368 PolarHBondContact O-N 3.11Å; F365-L369 HydrophobicContact CD1-CD1 4.33Å; F365-L369 HydrophobicContact CD2-CD1 4.47Å; F365-L369 HydrophobicContact CD2-CG 4.42Å; F365-L369 HydrophobicContact CE1-CD1 3.76Å; F365-L369 HydrophobicContact CE2-CD1 3.92Å; F365-L369 HydrophobicContact CE2-CD2 4.31Å; F365-L369 HydrophobicContact CE2-CG 4.07Å; F365-L369 HydrophobicContact CZ-CD1 3.52Å; F365-L369 HydrophobicContact CZ-CG 4.18Å; F365-L369 WeakPolarHBondContact O-CG 3.2Å; F365-L369 PolarHBondContact O-N 3.35Å
366A98.1Very high97.6Very high22 Ų2228.4 Ų28.418%0.18216%0.16CC..Hα-helixtrans-55.1-50.5175.300000110.8I51 F55 L362 D363 L368 L369 Y370I51-A366 HydrophobicContact CG2-CB 4.02Å; F55-A366 HydrophobicContact CE2-CB 4.05Å; F55-A366 HydrophobicContact CZ-CB 3.71Å; L362-A366 WeakPolarHBondContact O-CB 3.44Å; L362-A366 PolarHBondContact O-N 3.21Å; D363-A366 PolarHBondContact O-N 2.91Å; A366-L368 PolarHBondContact O-N 3.27Å; A366-L369 PolarHBondContact O-N 3.01Å; A366-Y370 WeakPolarHBondContact O-CB 3.47Å; A366-Y370 PolarHBondContact O-N 3.21Å
367T98.5Very high97.6Very high31 Ų3131.4 Ų31.419%0.1918%0.175CC..Hα-helixtrans-66.1-40.9-176.2-610000112.6L328 V330 D363 T364 F365 L369 Y370 L371L328-T367 HydrophobicContact CB-CG2 4.43Å; L328-T367 VanDerWaalsContact O-CG2 3.28Å; L328-T367 WeakPolarHBondContact O-CG2 3.44Å; V330-T367 WeakPolarHBondContact CG1-OG1 3.34Å; D363-T367 PolarHBondContact O-N 3.27Å; D363-T367 PolarHBondContact O-OG1 3.48Å; D363-T367 VanDerWaalsContact O-OG1 3.13Å; T364-T367 PolarHBondContact O-N 3Å; F365-T367 VanDerWaalsContact C-N 3.34Å; F365-T367 PolarHBondContact O-N 3.26Å; T367-L369 VanDerWaalsContact C-N 3.34Å; T367-L369 PolarHBondContact O-N 3.48Å; T367-Y370 PolarHBondContact O-N 3.27Å; T367-L371 HydrophobicContact CG2-CD1 3.68Å; T367-L371 HydrophobicContact CG2-CG 4.04Å; T367-L371 WeakPolarHBondContact O-CB 3.21Å; T367-L371 VanDerWaalsContact O-CG 3.26Å; T367-L371 WeakPolarHBondContact O-CG 3.32Å; T367-L371 PolarHBondContact O-N 2.9Å
368L98.3Very high97.7Very high2 Ų231.3 Ų31.31%0.0117%0.169CC..Hα-helixtrans-63.6-40.2176.5-70.3173.7000112L41 L121 L122 W125 L328 T364 F365 A366 G372L41-L368 HydrophobicContact CD2-CB 3.8Å; L41-L368 HydrophobicContact CD2-CD2 4.03Å; L41-L368 HydrophobicContact CD2-CG 4.36Å; L121-L368 HydrophobicContact CB-CD1 3.82Å; L121-L368 HydrophobicContact CD1-CB 4.37Å; L122-L368 HydrophobicContact CD2-CD1 3.78Å; L122-L368 HydrophobicContact CG-CD1 3.85Å; W125-L368 HydrophobicContact CB-CD2 4.23Å; W125-L368 HydrophobicContact CD2-CD2 4.48Å; W125-L368 HydrophobicContact CG-CD2 4.1Å; L328-L368 HydrophobicContact CD1-CD2 4.11Å; L328-L368 HydrophobicContact CD1-CG 4.37Å; L328-L368 HydrophobicContact CD2-CD2 3.84Å; T364-L368 HydrophobicContact CG2-CD1 3.84Å; T364-L368 HydrophobicContact CG2-CG 4.29Å; T364-L368 WeakPolarHBondContact O-CB 3.49Å; T364-L368 VanDerWaalsContact O-CG 3.25Å; T364-L368 WeakPolarHBondContact O-CG 3.37Å; T364-L368 PolarHBondContact O-N 3.49Å; F365-L368 PolarHBondContact O-N 3.11Å; A366-L368 PolarHBondContact O-N 3.27Å; L368-G372 PolarHBondContact O-N 2.84Å
369L97.3Very high97.8Very high0 Ų031 Ų310%016%0.162CC..Hα-helixtrans-66.6-42174.2-69.9-176.1000112.1V35 G45 F46 I51 L54 L121 F365 A366 T367V35-L369 HydrophobicContact CG1-CD2 4.15Å; V35-L369 HydrophobicContact CG2-CD2 4.48Å; G45-L369 CarbonylContact C-O 3.55Å; G45-L369 WeakPolarHBondContact CA-O 3.38Å; F46-L369 HydrophobicContact CB-CB 4.42Å; F46-L369 HydrophobicContact CD2-CB 4.19Å; F46-L369 HydrophobicContact CD2-CD2 4.22Å; F46-L369 HydrophobicContact CE2-CD2 4.09Å; F46-L369 HydrophobicContact CG-CB 4.43Å; F46-L369 PolarHBondContact N-O 2.93Å; I51-L369 HydrophobicContact CD1-CB 4.22Å; I51-L369 HydrophobicContact CG1-CB 4.23Å; L54-L369 HydrophobicContact CD2-CD1 3.66Å; L121-L369 HydrophobicContact CD1-CD2 3.89Å; L121-L369 HydrophobicContact CD1-CG 4.39Å; F365-L369 HydrophobicContact CD1-CD1 4.33Å; F365-L369 HydrophobicContact CD2-CD1 4.47Å; F365-L369 HydrophobicContact CD2-CG 4.42Å; F365-L369 HydrophobicContact CE1-CD1 3.76Å; F365-L369 HydrophobicContact CE2-CD1 3.92Å; F365-L369 HydrophobicContact CE2-CD2 4.31Å; F365-L369 HydrophobicContact CE2-CG 4.07Å; F365-L369 HydrophobicContact CZ-CD1 3.52Å; F365-L369 HydrophobicContact CZ-CG 4.18Å; F365-L369 WeakPolarHBondContact O-CG 3.2Å; F365-L369 PolarHBondContact O-N 3.35Å; A366-L369 PolarHBondContact O-N 3.01Å; T367-L369 VanDerWaalsContact C-N 3.34Å; T367-L369 PolarHBondContact O-N 3.48Å
370Y97.8Very high97.8Very high126 Ų12631 Ų3149%0.49416%0.16SC..Hα-helixtrans-66.6-41.2-179.5177.8-102.2000112.5G45 F46 E48 I51 A366 T367G45-Y370 WeakPolarHBondContact CA-O 3.31Å; F46-Y370 WeakPolarHBondContact O-CD2 3.27Å; E48-Y370 HydrophobicContact CG-CD2 4.35Å; E48-Y370 HydrophobicContact CG-CE2 4.19Å; I51-Y370 HydrophobicContact CD1-CD2 4.44Å; A366-Y370 WeakPolarHBondContact O-CB 3.47Å; A366-Y370 PolarHBondContact O-N 3.21Å; T367-Y370 PolarHBondContact O-N 3.27Å
371L97.8Very high97.7Very high25 Ų2536.1 Ų36.113%0.13118%0.182CC..Hα-helixtrans-72.6-50.5177.9-67.4175.8000111T367 G375 L379T367-L371 HydrophobicContact CG2-CD1 3.68Å; T367-L371 HydrophobicContact CG2-CG 4.04Å; T367-L371 WeakPolarHBondContact O-CB 3.21Å; T367-L371 VanDerWaalsContact O-CG 3.26Å; T367-L371 WeakPolarHBondContact O-CG 3.32Å; T367-L371 PolarHBondContact O-N 2.9Å; L371-G375 WeakPolarHBondContact O-CA 3.34Å; L371-G375 PolarHBondContact O-N 3.34Å; L371-L379 HydrophobicContact CD1-CD1 3.97Å; L371-L379 HydrophobicContact CD2-CD1 3.54Å; L371-L379 HydrophobicContact CD2-CG 4.4Å; L371-L379 HydrophobicContact CG-CD1 4.42Å
372G96.7Very high97.7Very high0 Ų041.2 Ų41.20%020%0.201CC..Hα-helixtrans55.7-169.9-162.700000112.4P42 L368 W376P42-G372 CarbonylContact O-C 3.52Å; P42-G372 WeakPolarHBondContact O-CA 3.32Å; L368-G372 PolarHBondContact O-N 2.84Å; G372-W376 WeakPolarHBondContact O-CB 3.37Å; G372-W376 PolarHBondContact O-N 3.17Å
373N96.2Very high97.7Very high39 Ų3941.3 Ų41.321%0.20920%0.201CC..Hα-helixtrans-66.9-44.1179.2-172.742.7000111.8P42 W376 N377P42-N373 PolarHBondContact O-N 3.24Å; N373-W376 PolarHBondContact O-N 3.4Å; N373-N377 PolarHBondContact O-N 3.18Å; N373-N377 VanDerWaalsContact O-N 3.08Å; N373-N377 PolarHBondContact O-ND2 2.87Å; N373-N377 PolarHBondContact OD1-ND2 3.47Å
374K97.5Very high97.6Very high124 Ų12442.7 Ų42.754%0.53921%0.214SC..Hα-helixtrans-61.2-50.5179.7-175.4-178.6176.7-1760112D43 W376 N377 D378D43-K374 VanDerWaalsContact O-CB 3.24Å; D43-K374 WeakPolarHBondContact O-CB 3.37Å; D43-K374 PolarHBondContact O-N 2.85Å; K374-W376 VanDerWaalsContact C-N 3.29Å; K374-W376 PolarHBondContact O-N 3.43Å; K374-N377 PolarHBondContact O-N 3.44Å; K374-D378 VanDerWaalsContact O-CG 3.23Å; K374-D378 PolarHBondContact O-N 2.76Å
375G98.1Very high97.6Very high18 Ų1846.2 Ų46.219%0.18623%0.232CC..Hα-helixtrans-63.2-36-178.600000112.6L371 L379L371-G375 WeakPolarHBondContact O-CA 3.34Å; L371-G375 PolarHBondContact O-N 3.34Å; G375-L379 WeakPolarHBondContact O-CG 3.16Å; G375-L379 PolarHBondContact O-N 3.44Å
376W97.9Very high97.6Very high7 Ų746.1 Ų46.13%0.02723%0.232CC..Hα-helixtrans-61.4-49.6172.2177.2-114.2000112.3W125 S129 V285 Q286 N327 L328 G372 N373 K374 D378 L379 I380 I505W125-W376 AromaticContact CD1-CD2 3.97Å; W125-W376 AromaticContact CD1-CE2 3.92Å; W125-W376 AromaticContact CE2-CH2 3.95Å; W125-W376 AromaticContact CZ2-CH2 3.81Å; W125-W376 HydrophobicContact CZ2-CH2 3.81Å; W125-W376 HydrophobicContact CZ2-CZ2 4.22Å; W125-W376 HydrophobicContact CZ2-CZ3 4.24Å; W125-W376 AromaticContact NE1-CD2 3.48Å; W125-W376 AromaticContact NE1-CE2 3.31Å; W125-W376 VanDerWaalsContact NE1-CE2 3.31Å; W125-W376 AromaticContact NE1-CE3 3.61Å; W125-W376 AromaticContact NE1-CH2 3.47Å; W125-W376 AromaticContact NE1-CZ2 3.32Å; W125-W376 VanDerWaalsContact NE1-CZ2 3.32Å; W125-W376 AromaticContact NE1-CZ3 3.6Å; W125-W376 AromaticContact NE1-NE1 3.93Å; S129-W376 PolarHBondContact OG-NE1 3.03Å; V285-W376 HydrophobicContact CG1-CH2 4.48Å; V285-W376 HydrophobicContact CG1-CZ2 4.15Å; Q286-W376 HydrophobicContact CB-CH2 4.38Å; N327-W376 VanDerWaalsContact O-CZ3 3.32Å; N327-W376 WeakPolarHBondContact O-CZ3 3.2Å; L328-W376 HydrophobicContact CD2-CZ3 4.32Å; G372-W376 WeakPolarHBondContact O-CB 3.37Å; G372-W376 PolarHBondContact O-N 3.17Å; N373-W376 PolarHBondContact O-N 3.4Å; K374-W376 VanDerWaalsContact C-N 3.29Å; K374-W376 PolarHBondContact O-N 3.43Å; W376-D378 VanDerWaalsContact C-N 3.33Å; W376-D378 PolarHBondContact O-N 2.93Å; W376-L379 WeakPolarHBondContact O-CB 3.44Å; W376-L379 PolarHBondContact O-N 2.87Å; W376-I380 HydrophobicContact CD2-CG1 4.31Å; W376-I380 HydrophobicContact CH2-CD1 4.05Å; W376-I380 HydrophobicContact CZ2-CD1 3.69Å; W376-I380 HydrophobicContact CZ2-CG1 4.08Å; W376-I380 WeakPolarHBondContact O-CG1 3.47Å; W376-I380 PolarHBondContact O-N 3.47Å; W376-I505 HydrophobicContact CE3-CD1 4Å; W376-I505 HydrophobicContact CH2-CD1 3.69Å; W376-I505 HydrophobicContact CZ3-CD1 3.27Å
377N97.8Very high97.5Very high73 Ų7347.2 Ų47.239%0.3923%0.233SC..Hα-helixtrans-63.1-39.8179.1-69.2-40.5000112.2N373 K374 L379 I380 Q381N373-N377 PolarHBondContact O-N 3.18Å; N373-N377 VanDerWaalsContact O-N 3.08Å; N373-N377 PolarHBondContact O-ND2 2.87Å; N373-N377 PolarHBondContact OD1-ND2 3.47Å; K374-N377 PolarHBondContact O-N 3.44Å; N377-L379 VanDerWaalsContact C-N 3.31Å; N377-L379 PolarHBondContact O-N 2.93Å; N377-I380 PolarHBondContact O-N 3.3Å; N377-Q381 WeakPolarHBondContact O-CB 3.35Å; N377-Q381 PolarHBondContact O-N 3.44Å
378D97.8Very high97.5Very high65 Ų6552.3 Ų52.335%0.34825%0.252SS..Hα-helixtrans-61.4-39.5175.6-68.2-14.2000111.3K374 W376 R382K374-D378 VanDerWaalsContact O-CG 3.23Å; K374-D378 PolarHBondContact O-N 2.76Å; W376-D378 VanDerWaalsContact C-N 3.33Å; W376-D378 PolarHBondContact O-N 2.93Å; D378-R382 WeakPolarHBondContact O-CB 3.49Å; D378-R382 PolarHBondContact O-N 3.27Å
379L97.9Very high97.4Very high16 Ų1656.8 Ų56.88%0.08427%0.269CS..Hα-helixtrans-65.5-43.6174.9-75.6176.4000112.5M329 L371 G375 W376 N377 R382 Q383 I505M329-L379 HydrophobicContact SD-CD1 4.36Å; M329-L379 HydrophobicContact SD-CD2 4.44Å; L371-L379 HydrophobicContact CD1-CD1 3.97Å; L371-L379 HydrophobicContact CD2-CD1 3.54Å; L371-L379 HydrophobicContact CD2-CG 4.4Å; L371-L379 HydrophobicContact CG-CD1 4.42Å; G375-L379 WeakPolarHBondContact O-CG 3.16Å; G375-L379 PolarHBondContact O-N 3.44Å; W376-L379 WeakPolarHBondContact O-CB 3.44Å; W376-L379 PolarHBondContact O-N 2.87Å; N377-L379 VanDerWaalsContact C-N 3.31Å; N377-L379 PolarHBondContact O-N 2.93Å; L379-R382 PolarHBondContact O-N 3.48Å; L379-Q383 WeakPolarHBondContact O-CB 3.44Å; L379-Q383 PolarHBondContact O-N 3.42Å; L379-I505 HydrophobicContact CB-CD1 3.85Å; L379-I505 HydrophobicContact CB-CG1 3.88Å; L379-I505 HydrophobicContact CD1-CD1 4.19Å; L379-I505 HydrophobicContact CD1-CG1 4.34Å
380I97.6Very high97.4Very high26 Ų2656.9 Ų56.913%0.13327%0.27CS..Hα-helixtrans-63.1-43.6176.7-65.2-64.8000110.9Q286 P288 W376 N377 R382 Q383 S384 I505Q286-I380 HydrophobicContact CB-CD1 4.25Å; Q286-I380 WeakPolarHBondContact O-CD1 3.21Å; P288-I380 HydrophobicContact CG-CG2 4.04Å; W376-I380 HydrophobicContact CD2-CG1 4.31Å; W376-I380 HydrophobicContact CH2-CD1 4.05Å; W376-I380 HydrophobicContact CZ2-CD1 3.69Å; W376-I380 HydrophobicContact CZ2-CG1 4.08Å; W376-I380 WeakPolarHBondContact O-CG1 3.47Å; W376-I380 PolarHBondContact O-N 3.47Å; N377-I380 PolarHBondContact O-N 3.3Å; I380-R382 VanDerWaalsContact C-N 3.35Å; I380-R382 PolarHBondContact O-N 3.21Å; I380-Q383 PolarHBondContact O-N 2.69Å; I380-S384 PolarHBondContact O-N 3.24Å; I380-I505 HydrophobicContact CD1-CD1 4.23Å
381Q96.9Very high97.4Very high125 Ų12554 Ų5458%0.58426%0.261SS*.Hα-helixtrans-61.9-43.9176.3-173.4179.76.700111.3N377 S384 I385N377-Q381 WeakPolarHBondContact O-CB 3.35Å; N377-Q381 PolarHBondContact O-N 3.44Å; Q381-S384 WeakPolarHBondContact O-CB 3.16Å; Q381-S384 PolarHBondContact O-N 3.23Å; Q381-I385 HydrophobicContact CG-CD1 4.37Å; Q381-I385 WeakPolarHBondContact O-CG1 3.41Å; Q381-I385 PolarHBondContact O-N 3.25Å; Q381-I385 VanDerWaalsContact O-N 3.07Å
382R97.4Very high97.4Very high109 Ų10956 Ų5641%0.41127%0.271SS..Hα-helixtrans-62.5-43177-171.6-178.8-5613310.3112.2D378 L379 I380 S384 I385 C386D378-R382 WeakPolarHBondContact O-CB 3.49Å; D378-R382 PolarHBondContact O-N 3.27Å; L379-R382 PolarHBondContact O-N 3.48Å; I380-R382 VanDerWaalsContact C-N 3.35Å; I380-R382 PolarHBondContact O-N 3.21Å; R382-S384 VanDerWaalsContact C-N 3.3Å; R382-S384 PolarHBondContact O-N 3.07Å; R382-I385 PolarHBondContact O-N 3.04Å; R382-C386 WeakPolarHBondContact O-CB 3.49Å; R382-C386 PolarHBondContact O-N 2.9Å; R382-C386 PolarHBondContact O-SG 3.38Å
383Q97.8Very high97.5Very high13 Ų1356.3 Ų56.36%0.06127%0.274CS..Hα-helixtrans-59.3-41.6175.3-177.7-140.749.800111Q286 L379 I380 C386 F387 S503Q286-Q383 PolarHBondContact O-NE2 3.5Å; Q286-Q383 VanDerWaalsContact O-NE2 3.12Å; Q286-Q383 PolarHBondContact O-OE1 3.45Å; L379-Q383 WeakPolarHBondContact O-CB 3.44Å; L379-Q383 PolarHBondContact O-N 3.42Å; I380-Q383 PolarHBondContact O-N 2.69Å; Q383-C386 PolarHBondContact O-N 2.84Å; Q383-F387 WeakPolarHBondContact O-CB 3.48Å; Q383-F387 PolarHBondContact O-N 2.76Å; Q383-S503 WeakPolarHBondContact CG-O 3.46Å; Q383-S503 PolarHBondContact O-OG 3.33Å
384S96.4Very high97.5Very high74 Ų7454.5 Ų54.552%0.51727%0.265SS..Hα-helixtrans-62-43.3175.7-177.40000112.7I380 Q381 R382 F387 K388I380-S384 PolarHBondContact O-N 3.24Å; Q381-S384 WeakPolarHBondContact O-CB 3.16Å; Q381-S384 PolarHBondContact O-N 3.23Å; R382-S384 VanDerWaalsContact C-N 3.3Å; R382-S384 PolarHBondContact O-N 3.07Å; S384-F387 PolarHBondContact O-N 3.5Å; S384-K388 PolarHBondContact O-N 3.19Å
385I97.3Very high97.5Very high74 Ų7453.4 Ų53.438%0.37926%0.26SS..Hα-helixtrans-61.6-45.3174.7-65.9165.4000110.6Q381 R382 K388 R389 Q509Q381-I385 HydrophobicContact CG-CD1 4.37Å; Q381-I385 WeakPolarHBondContact O-CG1 3.41Å; Q381-I385 PolarHBondContact O-N 3.25Å; Q381-I385 VanDerWaalsContact O-N 3.07Å; R382-I385 PolarHBondContact O-N 3.04Å; I385-K388 PolarHBondContact O-N 3.24Å; I385-R389 WeakPolarHBondContact O-CB 3.39Å; I385-R389 PolarHBondContact O-N 2.86Å; I385-Q509 HydrophobicContact CG2-CG 4.23Å
386C97.8Very high97.5Very high0 Ų058.8 Ų58.80%028%0.281CS..Hα-helixtrans-61.8-45.4177.4-70.90000111.5R382 Q383 K388 R389 L390 S503 Q507 I512R382-C386 WeakPolarHBondContact O-CB 3.49Å; R382-C386 PolarHBondContact O-N 2.9Å; R382-C386 PolarHBondContact O-SG 3.38Å; Q383-C386 PolarHBondContact O-N 2.84Å; C386-K388 VanDerWaalsContact C-N 3.34Å; C386-K388 PolarHBondContact O-N 3.49Å; C386-R389 PolarHBondContact O-N 3.42Å; C386-L390 WeakPolarHBondContact O-CB 3.09Å; C386-L390 PolarHBondContact O-N 2.82Å; C386-S503 WeakPolarHBondContact CB-OG 3.21Å; C386-Q507 PolarHBondContact SG-O 3.05Å; C386-Q507 VanDerWaalsContact SG-O 3.41Å; C386-I512 VanDerWaalsContact CA-CD1 3.43Å; C386-I512 HydrophobicContact CB-CD1 3.39Å; C386-I512 WeakPolarHBondContact O-CD1 3.36Å
387F97.2Very high97.4Very high44 Ų4459.1 Ų59.119%0.19328%0.283CS..Hα-helixtrans-59.3-46177.9-179.8-90.7000111.2Q383 S384 L390 H391 P412 L415 S503Q383-F387 WeakPolarHBondContact O-CB 3.48Å; Q383-F387 PolarHBondContact O-N 2.76Å; S384-F387 PolarHBondContact O-N 3.5Å; F387-L390 PolarHBondContact O-N 3.41Å; F387-H391 WeakPolarHBondContact O-CB 3.47Å; F387-H391 PolarHBondContact O-N 2.66Å; F387-P412 WeakPolarHBondContact CD2-O 3.21Å; F387-L415 HydrophobicContact CE2-CD1 4.31Å; F387-L415 HydrophobicContact CE2-CD2 4.05Å; F387-L415 HydrophobicContact CE2-CG 3.97Å; F387-L415 HydrophobicContact CZ-CD1 4.47Å; F387-L415 HydrophobicContact CZ-CD2 3.76Å; F387-L415 HydrophobicContact CZ-CG 4.17Å; F387-S503 VanDerWaalsContact CA-CB 3.48Å; F387-S503 WeakPolarHBondContact CA-OG 3.48Å; F387-S503 PolarHBondContact N-OG 2.96Å
388K97Very high97.3Very high138 Ų13856.1 Ų56.160%0.627%0.267SS*.Hα-helixtrans-60.7-46.8175.3-175.7177179.6-178.10111.8S384 I385 C386 L390 H391 D392S384-K388 PolarHBondContact O-N 3.19Å; I385-K388 PolarHBondContact O-N 3.24Å; C386-K388 VanDerWaalsContact C-N 3.34Å; C386-K388 PolarHBondContact O-N 3.49Å; K388-L390 VanDerWaalsContact C-N 3.34Å; K388-L390 PolarHBondContact O-N 3.11Å; K388-H391 WeakPolarHBondContact O-CB 3.4Å; K388-H391 PolarHBondContact O-N 3.26Å; K388-D392 WeakPolarHBondContact O-CB 3.37Å; K388-D392 VanDerWaalsContact O-CG 3.26Å; K388-D392 PolarHBondContact O-N 3.47Å
389R97.6Very high97.2Very high97 Ų9759.1 Ų59.137%0.36628%0.279SS..Hα-helixtrans-61-42.3178.6-171.1177.1-17385.15.9112.2I385 C386 G393 I512 D513I385-R389 WeakPolarHBondContact O-CB 3.39Å; I385-R389 PolarHBondContact O-N 2.86Å; C386-R389 PolarHBondContact O-N 3.42Å; R389-G393 PolarHBondContact O-N 2.91Å; R389-I512 HydrophobicContact CB-CD1 4.42Å; R389-I512 HydrophobicContact CG-CG2 4.24Å; R389-D513 IonicContact CZ-OD1 3.39Å; R389-D513 IonicContact CZ-OD2 3.78Å; R389-D513 VanDerWaalsContact CZ-OD2 3.28Å; R389-D513 VanDerWaalsContact NE-CG 3.31Å; R389-D513 IonicContact NE-OD1 2.67Å; R389-D513 PolarHBondContact NE-OD1 3.35Å; R389-D513 IonicContact NE-OD2 2.73Å; R389-D513 PolarHBondContact NE-OD2 2.99Å; R389-D513 IonicContact NH2-OD1 3.38Å; R389-D513 PolarHBondContact NH2-OD1 3.5Å; R389-D513 IonicContact NH2-OD2 2.6Å; R389-D513 PolarHBondContact NH2-OD2 3.32Å
390L97.9Very high97Very high2 Ų262.6 Ų62.61%0.0129%0.294CS..Hα-helixtrans-63.4-46.6175.3177.464.4000111C386 F387 K388 G393 L394 L415 A501 I512 F515C386-L390 WeakPolarHBondContact O-CB 3.09Å; C386-L390 PolarHBondContact O-N 2.82Å; F387-L390 PolarHBondContact O-N 3.41Å; K388-L390 VanDerWaalsContact C-N 3.34Å; K388-L390 PolarHBondContact O-N 3.11Å; L390-G393 PolarHBondContact O-N 2.83Å; L390-L394 HydrophobicContact CD1-CD1 4.03Å; L390-L394 HydrophobicContact CD1-CG 4.09Å; L390-L394 HydrophobicContact CG-CD1 4.07Å; L390-L394 HydrophobicContact CG-CG 4.47Å; L390-L394 WeakPolarHBondContact O-CB 3.14Å; L390-L394 VanDerWaalsContact O-CG 3.28Å; L390-L394 WeakPolarHBondContact O-CG 3.43Å; L390-L394 PolarHBondContact O-N 3.32Å; L390-L415 HydrophobicContact CD2-CD1 4.23Å; L390-L415 HydrophobicContact CG-CD1 4.1Å; L390-A501 HydrophobicContact CD1-CB 4.19Å; L390-A501 HydrophobicContact CD2-CB 4.14Å; L390-I512 HydrophobicContact CB-CD1 4.4Å; L390-I512 HydrophobicContact CB-CG2 3.95Å; L390-I512 HydrophobicContact CD1-CG2 4.11Å; L390-F515 HydrophobicContact CD1-CD1 3.88Å; L390-F515 HydrophobicContact CD1-CE1 3.74Å
391H97.7Very high96.8Very high66 Ų6661.8 Ų61.831%0.30629%0.289SS..Hα-helixtrans-58.1-52.7176.7178.2-80.4000111.8F387 K388 G393 L394 K395 L415F387-H391 WeakPolarHBondContact O-CB 3.47Å; F387-H391 PolarHBondContact O-N 2.66Å; K388-H391 WeakPolarHBondContact O-CB 3.4Å; K388-H391 PolarHBondContact O-N 3.26Å; H391-G393 VanDerWaalsContact C-N 3.33Å; H391-G393 PolarHBondContact O-N 3.16Å; H391-L394 PolarHBondContact O-N 3.26Å; H391-K395 WeakPolarHBondContact O-CB 3.16Å; H391-K395 PolarHBondContact O-N 3.27Å; H391-L415 HydrophobicContact CB-CD1 3.81Å
392D97.6Very high96.5Very high65 Ų6559.1 Ų59.135%0.34828%0.279SS..Hα-helixtrans-63.1-40.6-178.6-66.2-15.7000111.3K388 K395 Q396K388-D392 WeakPolarHBondContact O-CB 3.37Å; K388-D392 VanDerWaalsContact O-CG 3.26Å; K388-D392 PolarHBondContact O-N 3.47Å; D392-K395 WeakPolarHBondContact O-CB 3.44Å; D392-K395 PolarHBondContact O-N 3.35Å; D392-Q396 WeakPolarHBondContact O-CG 3.23Å; D392-Q396 PolarHBondContact O-N 2.94Å
393G97.7Very high96.3Very high7 Ų754.5 Ų54.57%0.07226%0.263CS..Hα-helixtrans-66.1-42.8175.300000113.9R389 L390 H391 K395 Q396 L397R389-G393 PolarHBondContact O-N 2.91Å; L390-G393 PolarHBondContact O-N 2.83Å; H391-G393 VanDerWaalsContact C-N 3.33Å; H391-G393 PolarHBondContact O-N 3.16Å; G393-K395 VanDerWaalsContact C-N 3.29Å; G393-K395 PolarHBondContact O-N 3.14Å; G393-Q396 PolarHBondContact O-N 3.48Å; G393-L397 WeakPolarHBondContact O-CG 3.31Å; G393-L397 PolarHBondContact O-N 2.75Å
394L97.6Very high96.1Very high2 Ų258.2 Ų58.21%0.0128%0.276CS..Hα-helixtrans-65.5-34.6174-71.9176.8000111.6L390 H391 L397 S398 L405 L415 L417 A501 F515 L516 L519L390-L394 HydrophobicContact CD1-CD1 4.03Å; L390-L394 HydrophobicContact CD1-CG 4.09Å; L390-L394 HydrophobicContact CG-CD1 4.07Å; L390-L394 HydrophobicContact CG-CG 4.47Å; L390-L394 WeakPolarHBondContact O-CB 3.14Å; L390-L394 VanDerWaalsContact O-CG 3.28Å; L390-L394 WeakPolarHBondContact O-CG 3.43Å; L390-L394 PolarHBondContact O-N 3.32Å; H391-L394 PolarHBondContact O-N 3.26Å; L394-L397 PolarHBondContact O-N 3.42Å; L394-S398 WeakPolarHBondContact O-CB 3.41Å; L394-S398 PolarHBondContact O-N 3.46Å; L394-L405 HydrophobicContact CB-CD1 4.05Å; L394-L405 HydrophobicContact CD1-CD1 4.29Å; L394-L415 HydrophobicContact CD1-CB 4.06Å; L394-L415 HydrophobicContact CD1-CD1 4.04Å; L394-L417 HydrophobicContact CD2-CD2 4.29Å; L394-A501 HydrophobicContact CD1-CB 4.36Å; L394-F515 HydrophobicContact CD2-CE1 4.25Å; L394-L516 HydrophobicContact CD2-CD2 4.04Å; L394-L516 HydrophobicContact CG-CD2 4.22Å; L394-L519 HydrophobicContact CD2-CD2 3.73Å
395K97.3Very high96.2Very high100 Ų10056 Ų5644%0.43526%0.258SS..Hα-helixtrans-63-47.3173.7-173.8179.2177.4-176.90111.2H391 D392 G393 L397 S398 E399 L405H391-K395 WeakPolarHBondContact O-CB 3.16Å; H391-K395 PolarHBondContact O-N 3.27Å; D392-K395 WeakPolarHBondContact O-CB 3.44Å; D392-K395 PolarHBondContact O-N 3.35Å; G393-K395 VanDerWaalsContact C-N 3.29Å; G393-K395 PolarHBondContact O-N 3.14Å; K395-L397 PolarHBondContact O-N 2.96Å; K395-S398 WeakPolarHBondContact CA-OG 3.05Å; K395-S398 WeakPolarHBondContact O-CA 3.49Å; K395-S398 WeakPolarHBondContact O-CB 3.34Å; K395-S398 PolarHBondContact O-N 3.32Å; K395-S398 PolarHBondContact O-OG 3.44Å; K395-E399 VanDerWaalsContact CE-OE1 3.23Å; K395-E399 WeakPolarHBondContact CE-OE1 3.19Å; K395-E399 WeakPolarHBondContact O-CG 3.44Å; K395-E399 PolarHBondContact O-N 2.76Å; K395-L405 HydrophobicContact CB-CD2 4.16Å
396Q97.1Very high96.1Very high132 Ų13253 Ų5362%0.61724%0.243SC*.Hα-helixtrans-59.5-43.7175.1-71.2172.713.900112.5D392 G393 S398 E399 K400D392-Q396 WeakPolarHBondContact O-CG 3.23Å; D392-Q396 PolarHBondContact O-N 2.94Å; G393-Q396 PolarHBondContact O-N 3.48Å; Q396-S398 VanDerWaalsContact C-N 3.28Å; Q396-S398 PolarHBondContact O-N 3.03Å; Q396-E399 PolarHBondContact O-N 2.92Å; Q396-K400 WeakPolarHBondContact O-CB 3.44Å; Q396-K400 PolarHBondContact O-N 3.4Å
397L96.3Very high96Very high13 Ų1356.2 Ų56.27%0.06826%0.26CS..Hα-helixtrans-63.1-37.1174.1-69.4176.2000111.7G393 L394 K395 K400 F401 L516 L519 D520G393-L397 WeakPolarHBondContact O-CG 3.31Å; G393-L397 PolarHBondContact O-N 2.75Å; L394-L397 PolarHBondContact O-N 3.42Å; K395-L397 PolarHBondContact O-N 2.96Å; L397-K400 PolarHBondContact O-N 2.95Å; L397-F401 HydrophobicContact CD2-CD2 4.48Å; L397-F401 HydrophobicContact CD2-CE2 4.03Å; L397-F401 WeakPolarHBondContact O-CD2 3.4Å; L397-F401 PolarHBondContact O-N 3.38Å; L397-L516 HydrophobicContact CD1-CB 4.43Å; L397-L516 HydrophobicContact CD1-CD2 3.71Å; L397-L519 HydrophobicContact CD1-CB 4.26Å; L397-L519 HydrophobicContact CD1-CD2 3.78Å; L397-L519 HydrophobicContact CD1-CG 4.08Å; L397-D520 HydrophobicContact CD2-CB 3.68Å; L397-D520 VanDerWaalsContact CD2-OD1 3.26Å; L397-D520 WeakPolarHBondContact CD2-OD1 3.33Å
398S95.5Very high95.8Very high10 Ų1054.3 Ų54.37%0.0725%0.252CS..Hα-helixtrans-63.6-42176.780.70000112L394 K395 Q396 N402 L403L394-S398 WeakPolarHBondContact O-CB 3.41Å; L394-S398 PolarHBondContact O-N 3.46Å; K395-S398 WeakPolarHBondContact CA-OG 3.05Å; K395-S398 WeakPolarHBondContact O-CA 3.49Å; K395-S398 WeakPolarHBondContact O-CB 3.34Å; K395-S398 PolarHBondContact O-N 3.32Å; K395-S398 PolarHBondContact O-OG 3.44Å; Q396-S398 VanDerWaalsContact C-N 3.28Å; Q396-S398 PolarHBondContact O-N 3.03Å; S398-N402 CarbonylContact O-C 3.54Å; S398-N402 WeakPolarHBondContact O-CA 3.37Å; S398-N402 PolarHBondContact O-N 2.95Å; S398-L403 PolarHBondContact O-N 2.95Å
399E95.5Very high95.7Very high129 Ų12952.4 Ų52.460%0.60325%0.252SS*.Hα-helixtrans-66.6-43.7175.7-68.5165.4-177.900111.2K395 Q396 F401 N402K395-E399 VanDerWaalsContact CE-OE1 3.23Å; K395-E399 WeakPolarHBondContact CE-OE1 3.19Å; K395-E399 WeakPolarHBondContact O-CG 3.44Å; K395-E399 PolarHBondContact O-N 2.76Å; Q396-E399 PolarHBondContact O-N 2.92Å; E399-F401 PolarHBondContact O-N 3.49Å; E399-N402 PolarHBondContact O-N 3.1Å
400K94.9Very high95.5Very high88 Ų8849.2 Ų49.238%0.38324%0.244SC..Hα-helixtrans-61-44.2179.6178.9177.2175-179.30113.3Q396 L397 D520Q396-K400 WeakPolarHBondContact O-CB 3.44Å; Q396-K400 PolarHBondContact O-N 3.4Å; L397-K400 PolarHBondContact O-N 2.95Å; K400-D520 WeakPolarHBondContact CD-OD1 3.5Å; K400-D520 VanDerWaalsContact CE-OD1 3.31Å; K400-D520 WeakPolarHBondContact CE-OD1 3.38Å; K400-D520 IonicContact NZ-OD1 2.75Å; K400-D520 PolarHBondContact NZ-OD1 3.32Å; K400-D520 IonicContact NZ-OD2 3.67Å; K400-D520 PolarHBondContact NZ-OD2 3.34Å
401F91.6Very high95.4Very high9 Ų949.1 Ų49.14%0.03924%0.244CC..THydrogen-bonded Turntrans-101.210.1-175-66.1-67.7000113.6L397 E399 L403 D520 I523 Q524 Q527L397-F401 HydrophobicContact CD2-CD2 4.48Å; L397-F401 HydrophobicContact CD2-CE2 4.03Å; L397-F401 WeakPolarHBondContact O-CD2 3.4Å; L397-F401 PolarHBondContact O-N 3.38Å; E399-F401 PolarHBondContact O-N 3.49Å; F401-L403 HydrophobicContact CB-CD1 4.03Å; F401-L403 HydrophobicContact CB-CG 3.82Å; F401-L403 PolarHBondContact O-N 2.91Å; F401-D520 WeakPolarHBondContact CE2-OD1 2.98Å; F401-D520 WeakPolarHBondContact CZ-O 3.31Å; F401-D520 VanDerWaalsContact CZ-OD1 3.3Å; F401-D520 WeakPolarHBondContact CZ-OD1 3.49Å; F401-I523 HydrophobicContact CB-CG2 4.03Å; F401-I523 HydrophobicContact CD1-CG2 3.68Å; F401-I523 HydrophobicContact CD2-CB 4.18Å; F401-I523 HydrophobicContact CD2-CD1 4.32Å; F401-I523 HydrophobicContact CD2-CG2 3.65Å; F401-I523 HydrophobicContact CE1-CG2 3.96Å; F401-I523 HydrophobicContact CE2-CB 4.03Å; F401-I523 HydrophobicContact CE2-CG2 3.94Å; F401-I523 HydrophobicContact CG-CB 4.48Å; F401-I523 HydrophobicContact CG-CG2 3.51Å; F401-I523 HydrophobicContact CZ-CB 4.2Å; F401-I523 HydrophobicContact CZ-CG2 4.09Å; F401-Q524 HydrophobicContact CE1-CB 3.95Å; F401-Q524 HydrophobicContact CZ-CB 3.98Å; F401-Q527 VanDerWaalsContact CD1-OE1 3.26Å
402N91.8Very high95.2Very high69 Ų6947.3 Ų47.337%0.36924%0.238SC..THydrogen-bonded Turntrans52.642.1-174.1-173.242.4000112.3S398 E399 N421S398-N402 CarbonylContact O-C 3.54Å; S398-N402 WeakPolarHBondContact O-CA 3.37Å; S398-N402 PolarHBondContact O-N 2.95Å; E399-N402 PolarHBondContact O-N 3.1Å; N402-N421 WeakPolarHBondContact O-CB 3.46Å; N402-N421 VanDerWaalsContact O-CG 3.31Å; N402-N421 PolarHBondContact O-ND2 3.38Å
403L93.4Very high95.1Very high13 Ų1344.3 Ų44.37%0.06822%0.222CC..  trans-95.8-179.5172.4-51.6179.2000110.2S398 F401 L417 S418 L419 N421 L422 I523S398-L403 PolarHBondContact O-N 2.95Å; F401-L403 HydrophobicContact CB-CD1 4.03Å; F401-L403 HydrophobicContact CB-CG 3.82Å; F401-L403 PolarHBondContact O-N 2.91Å; L403-L417 HydrophobicContact CB-CD1 3.94Å; L403-L417 HydrophobicContact CB-CG 4.46Å; L403-L417 HydrophobicContact CD1-CD1 4.44Å; L403-L417 HydrophobicContact CD1-CD2 3.96Å; L403-L417 HydrophobicContact CD1-CG 4.22Å; L403-S418 WeakPolarHBondContact CB-O 3.25Å; L403-L419 HydrophobicContact CD1-CD2 4.36Å; L403-N421 HydrophobicContact CD2-CB 4.15Å; L403-L422 HydrophobicContact CD2-CD1 4.44Å; L403-L422 HydrophobicContact CD2-CD2 3.69Å; L403-L422 HydrophobicContact CD2-CG 3.61Å; L403-I523 HydrophobicContact CD1-CD1 4.02Å; L403-I523 HydrophobicContact CD1-CG2 4.49Å
404R93.9Very high95.1Very high91 Ų9144 Ų4434%0.34322%0.219SC..EExtended strand (participates in β ladder)trans-129.7115.4179.5-169.516972.588-3.1110.4D199 L406 S418D199-R404 IonicContact OD1-CZ 2.86Å; D199-R404 VanDerWaalsContact OD1-CZ 3.28Å; D199-R404 IonicContact OD1-NH1 3.2Å; D199-R404 PolarHBondContact OD1-NH1 2.96Å; D199-R404 IonicContact OD1-NH2 3.28Å; D199-R404 PolarHBondContact OD1-NH2 2.85Å; D199-R404 IonicContact OD2-CZ 2.69Å; D199-R404 IonicContact OD2-NH1 2.71Å; D199-R404 PolarHBondContact OD2-NH1 2.66Å; R404-L406 PolarHBondContact O-N 3.27Å; R404-S418 WeakPolarHBondContact O-CB 3.29Å; R404-S418 PolarHBondContact O-N 3.4Å
405L96.6Very high95.1Very high28 Ų2844.2 Ų44.215%0.14722%0.22CC..EExtended strand (participates in β ladder)trans-69.5120.3166.3-176.863.2000107.9L394 K395 L417L394-L405 HydrophobicContact CB-CD1 4.05Å; L394-L405 HydrophobicContact CD1-CD1 4.29Å; K395-L405 HydrophobicContact CB-CD2 4.16Å; L405-L417 HydrophobicContact CB-CD1 4.43Å
406L95.8Very high95.1Very high9 Ų939.4 Ų39.45%0.04720%0.199CC..  trans-67.9136-178.2-61.1-171.4000110D199 P257 R404 T408 A416D199-L406 HydrophobicContact CB-CB 3.78Å; D199-L406 HydrophobicContact CB-CD2 4.18Å; D199-L406 HydrophobicContact CB-CG 4.38Å; D199-L406 WeakPolarHBondContact OD2-CA 3.44Å; P257-L406 HydrophobicContact CB-CD1 4.35Å; R404-L406 PolarHBondContact O-N 3.27Å; L406-T408 HydrophobicContact CB-CG2 4.19Å; L406-T408 PolarHBondContact O-N 3.5Å; L406-A416 HydrophobicContact CB-CB 4.25Å; L406-A416 WeakPolarHBondContact CB-O 3.16Å; L406-A416 HydrophobicContact CD1-CB 3.77Å; L406-A416 HydrophobicContact CG-CB 4.18Å; L406-A416 WeakPolarHBondContact CG-O 3.47Å; L406-A416 PolarHBondContact N-O 3.48Å
407D95.3Very high95.1Very high68 Ų6833.2 Ų33.236%0.36417%0.17SC..  trans-74.596.9174.4-176.6-9.2000109.8N198 D199 Q200 T409N198-D407 HydrophobicContact CB-CB 4.06Å; D199-D407 PolarHBondContact N-O 3.44Å; D199-D407 PolarHBondContact OD2-N 2.84Å; Q200-D407 WeakPolarHBondContact CG-O 3.5Å; D407-T409 WeakPolarHBondContact OD1-CG2 3.48Å; D407-T409 PolarHBondContact OD1-N 3.37Å; D407-T409 PolarHBondContact OD1-OG1 3.49Å; D407-T409 VanDerWaalsContact OD1-OG1 3.12Å
408T94.8Very high95Very high5 Ų532.6 Ų32.63%0.03117%0.167CC..  trans-119.944176.265.20000111.7A256 P257 L406 S410 N411A256-T408 HydrophobicContact CB-CG2 4.15Å; P257-T408 HydrophobicContact CB-CG2 4.08Å; L406-T408 HydrophobicContact CB-CG2 4.19Å; L406-T408 PolarHBondContact O-N 3.5Å; T408-S410 PolarHBondContact O-N 3.47Å; T408-N411 PolarHBondContact O-N 3.03Å
409T93.1Very high94.9Very high98 Ų9832.1 Ų32.160%0.60116%0.164SC*.THydrogen-bonded Turntrans-51.9-20.2-175.8430000115.8R289 D407R289-T409 PolarHBondContact NH1-O 3.26Å; D407-T409 WeakPolarHBondContact OD1-CG2 3.48Å; D407-T409 PolarHBondContact OD1-N 3.37Å; D407-T409 PolarHBondContact OD1-OG1 3.49Å; D407-T409 VanDerWaalsContact OD1-OG1 3.12Å
410S93.9Very high94.5Very high29 Ų2928 Ų2820%0.20314%0.144CC..THydrogen-bonded Turntrans-87-9.7175-56.90000115Q200 P260 R289 T408 P412Q200-S410 PolarHBondContact OE1-OG 3.2Å; P260-S410 VanDerWaalsContact CD-O 3.3Å; P260-S410 WeakPolarHBondContact CD-O 3.4Å; R289-S410 VanDerWaalsContact NH2-CB 3.33Å; R289-S410 PolarHBondContact NH2-OG 3.08Å; T408-S410 PolarHBondContact O-N 3.47Å; S410-P412 WeakPolarHBondContact O-CD 3.32Å
411N95.8Very high94.1Very high1 Ų127 Ų271%0.00514%0.143CC..  trans-93.3108.7171.9-163.4-39.2000110.3C254 R258 V259 T408 I413 S414C254-N411 PolarHBondContact O-ND2 2.54Å; R258-N411 PolarHBondContact O-ND2 3.03Å; V259-N411 HydrophobicContact CG1-CB 4.23Å; T408-N411 PolarHBondContact O-N 3.03Å; N411-I413 VanDerWaalsContact C-N 3.3Å; N411-I413 PolarHBondContact O-N 2.88Å; N411-I413 PolarHBondContact OD1-N 3.18Å; N411-S414 PolarHBondContact OD1-N 3.38Å; N411-S414 PolarHBondContact OD1-O 2.83Å
412P93.5Very high93.8Very high27 Ų2726.7 Ų26.718%0.17514%0.142CC..SBendtrans-85.62.6-172.833.7-33.5000114S287 F387 S410S287-P412 WeakPolarHBondContact OG-CG 3.5Å; F387-P412 WeakPolarHBondContact CD2-O 3.21Å; S410-P412 WeakPolarHBondContact O-CD 3.32Å
413I95.6Very high93.4Very high2 Ų224.1 Ų24.11%0.0113%0.128CC..SBendtrans-130.9-45-173.5-63.8-173.3000111.8N253 Y283 Q286 N411 A502 S503N253-I413 WeakPolarHBondContact ND2-CD1 3.35Å; Y283-I413 HydrophobicContact CD2-CD1 4.02Å; Y283-I413 HydrophobicContact CE2-CD1 4.43Å; Y283-I413 HydrophobicContact CE2-CG2 4.37Å; Q286-I413 HydrophobicContact CG-CD1 3.6Å; N411-I413 VanDerWaalsContact C-N 3.3Å; N411-I413 PolarHBondContact O-N 2.88Å; N411-I413 PolarHBondContact OD1-N 3.18Å; I413-A502 HydrophobicContact CG2-CB 4.11Å; I413-A502 CarbonylContact O-C 3.4Å; I413-A502 WeakPolarHBondContact O-CA 3.29Å; I413-S503 PolarHBondContact O-N 2.84Å
414S97.4Very high92.4Very high1 Ų123.8 Ų23.81%0.00713%0.127CC..EExtended strand (participates in β ladder)trans-106.2140.1-173.9-175.50000111.4A256 N411 A501A256-S414 PolarHBondContact N-OG 3.49Å; N411-S414 PolarHBondContact OD1-N 3.38Å; N411-S414 PolarHBondContact OD1-O 2.83Å; S414-A501 WeakPolarHBondContact CA-O 3.37Å
415L97.6Very high91.2Very high6 Ų625.5 Ų25.53%0.03114%0.137CC..EExtended strand (participates in β ladder)trans-120.5159.6175.8-63.5170.7000109.8F387 L390 H391 L394 N500 A501F387-L415 HydrophobicContact CE2-CD1 4.31Å; F387-L415 HydrophobicContact CE2-CD2 4.05Å; F387-L415 HydrophobicContact CE2-CG 3.97Å; F387-L415 HydrophobicContact CZ-CD1 4.47Å; F387-L415 HydrophobicContact CZ-CD2 3.76Å; F387-L415 HydrophobicContact CZ-CG 4.17Å; L390-L415 HydrophobicContact CD2-CD1 4.23Å; L390-L415 HydrophobicContact CG-CD1 4.1Å; H391-L415 HydrophobicContact CB-CD1 3.81Å; L394-L415 HydrophobicContact CD1-CB 4.06Å; L394-L415 HydrophobicContact CD1-CD1 4.04Å; L415-N500 WeakPolarHBondContact O-CA 3.37Å; L415-N500 PolarHBondContact O-ND2 3.41Å; L415-N500 VanDerWaalsContact O-ND2 3.15Å; L415-A501 PolarHBondContact N-O 3.32Å; L415-A501 PolarHBondContact O-N 2.86Å
416A97.3Very high89.5Confident0 Ų027.3 Ų27.30%015%0.149CC..EExtended strand (participates in β ladder)trans-134.6125.3176.700000110.7A256 L406 Y498 I499A256-A416 HydrophobicContact CB-CB 3.82Å; L406-A416 HydrophobicContact CB-CB 4.25Å; L406-A416 WeakPolarHBondContact CB-O 3.16Å; L406-A416 HydrophobicContact CD1-CB 3.77Å; L406-A416 HydrophobicContact CG-CB 4.18Å; L406-A416 WeakPolarHBondContact CG-O 3.47Å; L406-A416 PolarHBondContact N-O 3.48Å; A416-Y498 HydrophobicContact CB-CD2 3.79Å; A416-Y498 HydrophobicContact CB-CE2 4.32Å; A416-Y498 HydrophobicContact CB-CG 4.37Å; A416-I499 WeakPolarHBondContact CA-O 3.42Å
417L96.8Very high87.9Confident1 Ų127.4 Ų27.41%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-105.5117.2175.2173.571.9000108.7L394 L403 L405 Y498 I499 L519 I523L394-L417 HydrophobicContact CD2-CD2 4.29Å; L403-L417 HydrophobicContact CB-CD1 3.94Å; L403-L417 HydrophobicContact CB-CG 4.46Å; L403-L417 HydrophobicContact CD1-CD1 4.44Å; L403-L417 HydrophobicContact CD1-CD2 3.96Å; L403-L417 HydrophobicContact CD1-CG 4.22Å; L405-L417 HydrophobicContact CB-CD1 4.43Å; L417-Y498 CarbonylContact O-C 3.21Å; L417-Y498 WeakPolarHBondContact O-CA 3.48Å; L417-Y498 WeakPolarHBondContact O-CB 3.4Å; L417-I499 HydrophobicContact CB-CG2 3.69Å; L417-I499 HydrophobicContact CD2-CG2 4.11Å; L417-I499 HydrophobicContact CG-CG2 4.25Å; L417-I499 PolarHBondContact N-O 3.06Å; L417-I499 PolarHBondContact O-N 2.99Å; L417-L519 HydrophobicContact CD2-CD2 4.49Å; L417-I523 HydrophobicContact CD2-CD1 4.45Å
418S95.1Very high86.1Confident1 Ų127.4 Ų27.41%0.00715%0.152CC..EExtended strand (participates in β ladder)trans-61.6136.1176.7177.30000110.7L403 R404 E420 I496L403-S418 WeakPolarHBondContact CB-O 3.25Å; R404-S418 WeakPolarHBondContact O-CB 3.29Å; R404-S418 PolarHBondContact O-N 3.4Å; S418-E420 WeakPolarHBondContact OG-CB 3.42Å; S418-E420 PolarHBondContact OG-N 3.46Å; S418-I496 WeakPolarHBondContact OG-CG2 3.35Å
419L92.8Very high84.1Confident0 Ų029.1 Ų29.10%016%0.161CC..  trans-106.68.4174.2-55.8178.6000111.7L403 N421 L422 L450 I453 V467 P497 I499L403-L419 HydrophobicContact CD1-CD2 4.36Å; L419-N421 VanDerWaalsContact C-N 3.26Å; L419-N421 PolarHBondContact O-N 2.94Å; L419-L422 HydrophobicContact CB-CD1 4.28Å; L419-L422 HydrophobicContact CD2-CD1 3.87Å; L419-L422 WeakPolarHBondContact O-CB 3.4Å; L419-L422 PolarHBondContact O-N 3.01Å; L419-L450 HydrophobicContact CB-CD1 4.15Å; L419-L450 HydrophobicContact CB-CD2 4.31Å; L419-L450 HydrophobicContact CD1-CD1 4Å; L419-L450 HydrophobicContact CD1-CD2 4.29Å; L419-L450 HydrophobicContact CD1-CG 4.05Å; L419-I453 HydrophobicContact CD1-CD1 4.47Å; L419-V467 HydrophobicContact CD1-CG1 4.05Å; L419-P497 HydrophobicContact CB-CB 4.27Å; L419-P497 HydrophobicContact CB-CG 4.3Å; L419-P497 PolarHBondContact N-O 2.79Å; L419-I499 HydrophobicContact CD1-CB 4.32Å; L419-I499 HydrophobicContact CD2-CG2 4.18Å
420E88Confident82Confident41 Ų4132.9 Ų32.919%0.19217%0.171CC..G310 helixtrans-53.5-44.5-177.7-176.7-170.7-179.400111.8S418 L422 L423 I429S418-E420 WeakPolarHBondContact OG-CB 3.42Å; S418-E420 PolarHBondContact OG-N 3.46Å; E420-L422 PolarHBondContact O-N 3.08Å; E420-L423 VanDerWaalsContact O-CB 3.23Å; E420-L423 WeakPolarHBondContact O-CB 3.29Å; E420-L423 WeakPolarHBondContact O-CG 3.3Å; E420-L423 PolarHBondContact O-N 3.45Å; E420-I429 HydrophobicContact CG-CD1 4.03Å; E420-I429 HydrophobicContact CG-CG1 4.09Å; E420-I429 WeakPolarHBondContact OE1-CD1 3.22Å; E420-I429 WeakPolarHBondContact OE1-CG1 3.43Å; E420-I429 VanDerWaalsContact OE2-CD1 3.27Å; E420-I429 WeakPolarHBondContact OE2-CD1 3.42Å
421N86.3Confident80Confident67 Ų6734.1 Ų34.136%0.35818%0.176SC..G310 helixtrans-76.2-0.7-177.4-69.2-14.1000113.9N402 L403 L419N402-N421 WeakPolarHBondContact O-CB 3.46Å; N402-N421 VanDerWaalsContact O-CG 3.31Å; N402-N421 PolarHBondContact O-ND2 3.38Å; L403-N421 HydrophobicContact CD2-CB 4.15Å; L419-N421 VanDerWaalsContact C-N 3.26Å; L419-N421 PolarHBondContact O-N 2.94Å
422L85.9Confident77.9Confident3 Ų334.6 Ų34.62%0.01618%0.178CC..G310 helixtrans-84.8-14.8165-60.1-176.1000112.4L403 L419 E420 L450 I453 I523 F526 Q527L403-L422 HydrophobicContact CD2-CD1 4.44Å; L403-L422 HydrophobicContact CD2-CD2 3.69Å; L403-L422 HydrophobicContact CD2-CG 3.61Å; L419-L422 HydrophobicContact CB-CD1 4.28Å; L419-L422 HydrophobicContact CD2-CD1 3.87Å; L419-L422 WeakPolarHBondContact O-CB 3.4Å; L419-L422 PolarHBondContact O-N 3.01Å; E420-L422 PolarHBondContact O-N 3.08Å; L422-L450 HydrophobicContact CB-CD1 4.48Å; L422-L450 HydrophobicContact CD1-CD1 4.31Å; L422-I453 HydrophobicContact CD1-CD1 4.12Å; L422-I523 HydrophobicContact CD1-CG2 4.22Å; L422-I523 HydrophobicContact CD2-CG2 4.01Å; L422-F526 HydrophobicContact CB-CD1 4.11Å; L422-F526 HydrophobicContact CB-CE1 3.75Å; L422-F526 HydrophobicContact CD1-CD1 4Å; L422-F526 HydrophobicContact CD1-CE1 4.31Å; L422-F526 HydrophobicContact CG-CD1 4.5Å; L422-Q527 HydrophobicContact CD2-CG 3.67Å
423L82.9Confident75.9Confident16 Ų1641.1 Ų41.18%0.08421%0.206CC..SBendtrans-77.8152176.7-57.6178.9000110.6E420 K425 M427 I446 F447 L450 P497E420-L423 VanDerWaalsContact O-CB 3.23Å; E420-L423 WeakPolarHBondContact O-CB 3.29Å; E420-L423 WeakPolarHBondContact O-CG 3.3Å; E420-L423 PolarHBondContact O-N 3.45Å; L423-K425 PolarHBondContact O-N 3.42Å; L423-M427 HydrophobicContact CB-CB 4.49Å; L423-I446 HydrophobicContact CD2-CG2 3.75Å; L423-F447 HydrophobicContact CD1-CE1 4.05Å; L423-F447 HydrophobicContact CD1-CZ 3.88Å; L423-F447 HydrophobicContact CD2-CE1 4.04Å; L423-F447 HydrophobicContact CD2-CZ 4.26Å; L423-L450 HydrophobicContact CD2-CD2 4.34Å; L423-P497 HydrophobicContact CD1-CG 4.02Å
424P73Confident73.6Confident6 Ų651 Ų514%0.03924%0.244CC..  trans-46.3139.1166.1-36.343.4000113.8T426 M427 I446 I536P424-T426 WeakPolarHBondContact CB-OG1 3.49Å; P424-T426 PolarHBondContact O-N 3.42Å; P424-M427 HydrophobicContact CB-CB 4.33Å; P424-M427 HydrophobicContact CB-CG 4.15Å; P424-M427 HydrophobicContact CB-SD 4.39Å; P424-M427 HydrophobicContact CG-SD 4.12Å; P424-M427 WeakPolarHBondContact O-CA 3.35Å; P424-M427 WeakPolarHBondContact O-CB 3.32Å; P424-M427 PolarHBondContact O-N 3.17Å; P424-I446 HydrophobicContact CG-CD1 3.7Å; P424-I536 HydrophobicContact CB-CD1 3.53Å; P424-I536 HydrophobicContact CG-CD1 3.35Å
425K67.7Low71.1Confident126 Ų12653 Ų5355%0.54825%0.254SS..G310 helixtrans-52.2-33.3172.5-68.5-174.3-176.6-1680113L423 M427 T428 I539L423-K425 PolarHBondContact O-N 3.42Å; K425-M427 PolarHBondContact O-N 3.36Å; K425-T428 PolarHBondContact O-N 3.1Å; K425-T428 PolarHBondContact O-OG1 3.35Å; K425-I539 HydrophobicContact CD-CD1 4.49Å; K425-I539 HydrophobicContact CD-CG1 4.39Å; K425-I539 VanDerWaalsContact CE-CD1 3.44Å
426T60.4Low68.8Low67 Ų6762.8 Ų62.841%0.41130%0.296SS..G310 helixtrans-66-13.417751.40000113.5P424 N435P424-T426 WeakPolarHBondContact CB-OG1 3.49Å; P424-T426 PolarHBondContact O-N 3.42Å; T426-N435 PolarHBondContact O-ND2 3.18Å
427M63.4Low66.6Low11 Ų1168.9 Ų68.95%0.05433%0.327CS..G310 helixtrans-111.327.3-179.8-66.5-176.164.300113.3L423 P424 K425 V438 R443 I446 F447L423-M427 HydrophobicContact CB-CB 4.49Å; P424-M427 HydrophobicContact CB-CB 4.33Å; P424-M427 HydrophobicContact CB-CG 4.15Å; P424-M427 HydrophobicContact CB-SD 4.39Å; P424-M427 HydrophobicContact CG-SD 4.12Å; P424-M427 WeakPolarHBondContact O-CA 3.35Å; P424-M427 WeakPolarHBondContact O-CB 3.32Å; P424-M427 PolarHBondContact O-N 3.17Å; K425-M427 PolarHBondContact O-N 3.36Å; M427-V438 HydrophobicContact CG-CG2 4.13Å; M427-R443 HydrophobicContact CE-CB 4.04Å; M427-R443 HydrophobicContact CE-CG 3.57Å; M427-I446 HydrophobicContact SD-CD1 3.52Å; M427-I446 VanDerWaalsContact SD-CD1 3.52Å; M427-F447 HydrophobicContact CE-CD2 4.08Å; M427-F447 HydrophobicContact CE-CE2 3.39Å; M427-F447 HydrophobicContact CE-CZ 4.11Å
428T56.6Low64.6Low68 Ų6869.7 Ų69.742%0.41733%0.332SS..  trans-55148175.417.80000112.1K425 Q430 N431K425-T428 PolarHBondContact O-N 3.1Å; K425-T428 PolarHBondContact O-OG1 3.35Å; T428-Q430 PolarHBondContact O-N 3.33Å; T428-N431 WeakPolarHBondContact O-CB 3.5Å; T428-N431 PolarHBondContact O-N 2.85Å
429I53.3Low63Low41 Ų4177.1 Ų77.121%0.2137%0.365CS..G310 helixtrans-45.2-38.8-172.9-78.2172.6000114.1E420 N431 N495 I496E420-I429 HydrophobicContact CG-CD1 4.03Å; E420-I429 HydrophobicContact CG-CG1 4.09Å; E420-I429 WeakPolarHBondContact OE1-CD1 3.22Å; E420-I429 WeakPolarHBondContact OE1-CG1 3.43Å; E420-I429 VanDerWaalsContact OE2-CD1 3.27Å; E420-I429 WeakPolarHBondContact OE2-CD1 3.42Å; I429-N431 PolarHBondContact O-N 3.38Å; I429-N495 HydrophobicContact CG2-CB 4.18Å; I429-N495 VanDerWaalsContact CG2-ND2 3.27Å; I429-N495 WeakPolarHBondContact CG2-ND2 3.48Å; I429-I496 HydrophobicContact CD1-CD1 4.28Å; I429-I496 HydrophobicContact CD1-CG1 3.45Å; I429-I496 VanDerWaalsContact CD1-CG1 3.45Å
430Q49.7Very low61.9Low176 Ų17682.3 Ų82.382%0.82239%0.392SS*.G310 helixtrans-70.5-12.2-177.2-65.8-178.1-7.600114T428T428-Q430 PolarHBondContact O-N 3.33Å
431N50.2Low61.3Low55 Ų5586 Ų8629%0.29441%0.414SS..G310 helixtrans-114-4-173-80.3-24.8000114.3T428 I429 E433 R434 N435T428-N431 WeakPolarHBondContact O-CB 3.5Å; T428-N431 PolarHBondContact O-N 2.85Å; I429-N431 PolarHBondContact O-N 3.38Å; N431-E433 PolarHBondContact O-N 3.05Å; N431-E433 VanDerWaalsContact O-N 3.09Å; N431-R434 PolarHBondContact O-N 2.65Å; N431-R434 VanDerWaalsContact O-N 3.1Å; N431-N435 HydrophobicContact CB-CB 4.01Å; N431-N435 VanDerWaalsContact CB-CG 3.48Å; N431-N435 WeakPolarHBondContact CB-ND2 3.19Å; N431-N435 VanDerWaalsContact CG-ND2 3.29Å; N431-N435 PolarHBondContact ND2-ND2 2.83Å; N431-N435 WeakPolarHBondContact O-CB 3.44Å; N431-N435 PolarHBondContact O-N 2.91Å
432I53.1Low60.9Low12 Ų1287 Ų876%0.06242%0.416CS..THydrogen-bonded Turntrans-58.8-21.9177.9-76.7178.5000111.7R443 T472I432-R443 PolarHBondContact O-NH1 3.48Å; I432-R443 PolarHBondContact O-NH2 2.96Å; I432-T472 HydrophobicContact CG2-CG2 4.47Å; I432-T472 WeakPolarHBondContact CG2-OG1 3.2Å
433E50.3Low60.4Low163 Ų16388.2 Ų88.276%0.76242%0.42SS*.THydrogen-bonded Turntrans-106.7-10.5176.1-67.3-177.8168.800114.5N431 T472N431-E433 PolarHBondContact O-N 3.05Å; N431-E433 VanDerWaalsContact O-N 3.09Å; E433-T472 HydrophobicContact CG-CG2 4.36Å
434R48Very low60.4Low211 Ų21194.1 Ų94.180%0.79645%0.445SS*.THydrogen-bonded Turntrans-124.9-15-171-71.3-176.1179139.80.7115.9N431 K436N431-R434 PolarHBondContact O-N 2.65Å; N431-R434 VanDerWaalsContact O-N 3.1Å; R434-K436 PolarHBondContact O-N 3.37Å; R434-K436 VanDerWaalsContact O-N 3.14Å
435N45.1Very low61Low42 Ų4296.7 Ų96.723%0.22546%0.457CS..  trans-82.399.6-175.6-95.4-4.7000113.1T426 N431 I437T426-N435 PolarHBondContact O-ND2 3.18Å; N431-N435 HydrophobicContact CB-CB 4.01Å; N431-N435 VanDerWaalsContact CB-CG 3.48Å; N431-N435 WeakPolarHBondContact CB-ND2 3.19Å; N431-N435 VanDerWaalsContact CG-ND2 3.29Å; N431-N435 PolarHBondContact ND2-ND2 2.83Å; N431-N435 WeakPolarHBondContact O-CB 3.44Å; N431-N435 PolarHBondContact O-N 2.91Å; N435-I437 PolarHBondContact O-N 3.17Å
436K49.3Very low61.8Low211 Ų21190.8 Ų90.892%0.91743%0.431SS*.THydrogen-bonded Turntrans-68.24.9159.2-70.8-175.6175.9-179.80113.9R434R434-K436 PolarHBondContact O-N 3.37Å; R434-K436 VanDerWaalsContact O-N 3.14Å
437I50.2Low63.1Low128 Ų12887.9 Ų87.966%0.65641%0.413SS*.THydrogen-bonded Turntrans-82.5-34.6-172.2-58.7176.2000111.7N435N435-I437 PolarHBondContact O-N 3.17Å
438V55Low64.3Low18 Ų1892.4 Ų92.411%0.10943%0.434CS..SBendtrans-100.4123.9174.7-178.70000107.4M427 D440 Q442 R443M427-V438 HydrophobicContact CG-CG2 4.13Å; V438-D440 PolarHBondContact O-N 3.46Å; V438-Q442 HydrophobicContact CG1-CB 3.68Å; V438-R443 HydrophobicContact CG1-CB 4.22Å
439K61.3Low65.8Low157 Ų15790.3 Ų90.368%0.68342%0.419SS*.  trans-57.8138175-67.4-176.5179.3-179.10108.8D441 Q442 R443K439-D441 PolarHBondContact O-N 2.82Å; K439-Q442 PolarHBondContact O-N 2.86Å; K439-R443 PolarHBondContact O-N 3.15Å
440D70.3Confident67.6Low109 Ų10988.4 Ų88.458%0.58341%0.409SS*.Hα-helixtrans-51-32.2-178.3-79.4-27.3000112.9V438 R443 K444V438-D440 PolarHBondContact O-N 3.46Å; D440-R443 PolarHBondContact O-N 3.45Å; D440-K444 WeakPolarHBondContact O-CG 3.35Å; D440-K444 PolarHBondContact O-N 3.07Å
441D75.9Confident69.6Low120 Ų12082.6 Ų82.664%0.64239%0.386SS*.Hα-helixtrans-64.3-44.5176.5-61.7-29.4000113K439 R443 K444 E445K439-D441 PolarHBondContact O-N 2.82Å; D441-R443 VanDerWaalsContact C-N 3.31Å; D441-R443 PolarHBondContact O-N 2.9Å; D441-K444 PolarHBondContact O-N 2.88Å; D441-E445 WeakPolarHBondContact O-CB 3.45Å; D441-E445 PolarHBondContact O-N 3.33Å
442Q76.5Confident71.6Confident86 Ų8683 Ų8340%0.40239%0.386SS..Hα-helixtrans-64.9-38.7177.7-73.3-178.2-24.800111.2V438 K439 E445 I446 F534V438-Q442 HydrophobicContact CG1-CB 3.68Å; K439-Q442 PolarHBondContact O-N 2.86Å; Q442-E445 WeakPolarHBondContact O-CB 3.42Å; Q442-E445 PolarHBondContact O-N 3.12Å; Q442-I446 WeakPolarHBondContact O-CG1 3.48Å; Q442-I446 PolarHBondContact O-N 3.33Å; Q442-F534 HydrophobicContact CB-CE1 4.37Å; Q442-F534 HydrophobicContact CG-CE1 4.44Å
443R77.2Confident73.5Confident30 Ų3082.5 Ų82.511%0.11338%0.384CS..Hα-helixtrans-64.1-48.8177170.2165.8-175.1-168-2.5111.7M427 I432 V438 K439 D440 D441 E445 I446 F447 M473M427-R443 HydrophobicContact CE-CB 4.04Å; M427-R443 HydrophobicContact CE-CG 3.57Å; I432-R443 PolarHBondContact O-NH1 3.48Å; I432-R443 PolarHBondContact O-NH2 2.96Å; V438-R443 HydrophobicContact CG1-CB 4.22Å; K439-R443 PolarHBondContact O-N 3.15Å; D440-R443 PolarHBondContact O-N 3.45Å; D441-R443 VanDerWaalsContact C-N 3.31Å; D441-R443 PolarHBondContact O-N 2.9Å; R443-E445 PolarHBondContact O-N 3.39Å; R443-I446 PolarHBondContact O-N 3.19Å; R443-F447 HydrophobicContact CG-CD2 3.96Å; R443-F447 HydrophobicContact CG-CE2 4Å; R443-F447 VanDerWaalsContact O-CD2 3.3Å; R443-F447 WeakPolarHBondContact O-CD2 3.44Å; R443-F447 PolarHBondContact O-N 3.03Å; R443-F447 VanDerWaalsContact O-N 3.13Å; R443-M473 HydrophobicContact CG-SD 3.75Å; R443-M473 PolarHBondContact NE-SD 2.95Å
444K81.5Confident75.5Confident139 Ų13975.6 Ų75.660%0.60436%0.356SS*.Hα-helixtrans-58.1-40175.1-75174.5-177173.50111.2D440 D441 H448D440-K444 WeakPolarHBondContact O-CG 3.35Å; D440-K444 PolarHBondContact O-N 3.07Å; D441-K444 PolarHBondContact O-N 2.88Å; K444-H448 VanDerWaalsContact O-CB 3.29Å; K444-H448 WeakPolarHBondContact O-CB 3.29Å; K444-H448 PolarHBondContact O-N 2.94Å
445E85.1Confident77.6Confident61 Ų6168 Ų6829%0.28534%0.338SS..Hα-helixtrans-62.6-46.8177-175.2176-162.800112.5D441 Q442 R443 F447 H448 H449 K533 F534D441-E445 WeakPolarHBondContact O-CB 3.45Å; D441-E445 PolarHBondContact O-N 3.33Å; Q442-E445 WeakPolarHBondContact O-CB 3.42Å; Q442-E445 PolarHBondContact O-N 3.12Å; R443-E445 PolarHBondContact O-N 3.39Å; E445-F447 PolarHBondContact O-N 3.03Å; E445-H448 WeakPolarHBondContact O-CB 3.47Å; E445-H448 PolarHBondContact O-N 3.1Å; E445-H449 PolarHBondContact O-N 3.31Å; E445-H449 PolarHBondContact O-ND1 3.37Å; E445-H449 IonicContact OE1-CE1 3.74Å; E445-K533 WeakPolarHBondContact OE1-CE 3.28Å; E445-K533 IonicContact OE1-NZ 2.61Å; E445-K533 PolarHBondContact OE1-NZ 2.87Å; E445-F534 HydrophobicContact CG-CZ 4.41Å
446I85.7Confident79.9Confident2 Ų268.5 Ų68.51%0.0134%0.341CS..Hα-helixtrans-60.9-47.8178.9-69.1159.5000110.9L423 P424 M427 Q442 R443 H448 H449 L450 I530 F534L423-I446 HydrophobicContact CD2-CG2 3.75Å; P424-I446 HydrophobicContact CG-CD1 3.7Å; M427-I446 HydrophobicContact SD-CD1 3.52Å; M427-I446 VanDerWaalsContact SD-CD1 3.52Å; Q442-I446 WeakPolarHBondContact O-CG1 3.48Å; Q442-I446 PolarHBondContact O-N 3.33Å; R443-I446 PolarHBondContact O-N 3.19Å; I446-H448 VanDerWaalsContact C-N 3.31Å; I446-H448 PolarHBondContact O-N 3.18Å; I446-H449 PolarHBondContact O-N 2.9Å; I446-L450 PolarHBondContact O-N 3.37Å; I446-I530 HydrophobicContact CG1-CD1 4.39Å; I446-I530 HydrophobicContact CG2-CD1 4.43Å; I446-F534 HydrophobicContact CD1-CD1 4.48Å; I446-F534 HydrophobicContact CD1-CE1 4.18Å; I446-F534 HydrophobicContact CD1-CE2 4.31Å; I446-F534 HydrophobicContact CD1-CZ 4.1Å; I446-F534 HydrophobicContact CG1-CD2 4.28Å; I446-F534 HydrophobicContact CG1-CE1 4.08Å; I446-F534 HydrophobicContact CG1-CE2 3.61Å; I446-F534 HydrophobicContact CG1-CZ 3.5Å; I446-F534 VanDerWaalsContact CG1-CZ 3.5Å
447F87.8Confident82.1Confident6 Ų658.5 Ų58.53%0.02630%0.297CS..Hα-helixtrans-66.2-33.2178.4-77.8-67.1000112.5L423 M427 R443 E445 L450 T451 L469 P470 M473L423-F447 HydrophobicContact CD1-CE1 4.05Å; L423-F447 HydrophobicContact CD1-CZ 3.88Å; L423-F447 HydrophobicContact CD2-CE1 4.04Å; L423-F447 HydrophobicContact CD2-CZ 4.26Å; M427-F447 HydrophobicContact CE-CD2 4.08Å; M427-F447 HydrophobicContact CE-CE2 3.39Å; M427-F447 HydrophobicContact CE-CZ 4.11Å; R443-F447 HydrophobicContact CG-CD2 3.96Å; R443-F447 HydrophobicContact CG-CE2 4Å; R443-F447 VanDerWaalsContact O-CD2 3.3Å; R443-F447 WeakPolarHBondContact O-CD2 3.44Å; R443-F447 PolarHBondContact O-N 3.03Å; R443-F447 VanDerWaalsContact O-N 3.13Å; E445-F447 PolarHBondContact O-N 3.03Å; F447-L450 HydrophobicContact CD1-CD2 4.16Å; F447-L450 HydrophobicContact CE1-CD2 4.41Å; F447-L450 WeakPolarHBondContact O-CB 3.26Å; F447-L450 PolarHBondContact O-N 2.72Å; F447-T451 PolarHBondContact O-N 2.87Å; F447-L469 HydrophobicContact CB-CD1 4.16Å; F447-L469 HydrophobicContact CD1-CD2 3.88Å; F447-P470 HydrophobicContact CE1-CG 3.93Å; F447-P470 HydrophobicContact CZ-CG 4.12Å; F447-M473 HydrophobicContact CD1-CG 4.32Å; F447-M473 HydrophobicContact CD2-CB 4.28Å; F447-M473 HydrophobicContact CD2-CG 3.59Å; F447-M473 HydrophobicContact CD2-SD 3.31Å; F447-M473 WeakPolarHBondContact CD2-SD 3.34Å; F447-M473 HydrophobicContact CE1-CG 4.18Å; F447-M473 HydrophobicContact CE2-CG 3.44Å; F447-M473 VanDerWaalsContact CE2-CG 3.44Å; F447-M473 HydrophobicContact CE2-SD 3.34Å; F447-M473 WeakPolarHBondContact CE2-SD 3.38Å; F447-M473 HydrophobicContact CG-CB 4.3Å; F447-M473 HydrophobicContact CG-CG 4.04Å; F447-M473 HydrophobicContact CG-SD 4.22Å; F447-M473 HydrophobicContact CZ-CG 3.75Å; F447-M473 HydrophobicContact CZ-SD 4.25Å
448H88Confident84.2Confident106 Ų10657.9 Ų57.949%0.49129%0.29SS..Hα-helixtrans-59.4-48.8170.5179.974.7000111.4K444 E445 I446 L450 T451 Q452K444-H448 VanDerWaalsContact O-CB 3.29Å; K444-H448 WeakPolarHBondContact O-CB 3.29Å; K444-H448 PolarHBondContact O-N 2.94Å; E445-H448 WeakPolarHBondContact O-CB 3.47Å; E445-H448 PolarHBondContact O-N 3.1Å; I446-H448 VanDerWaalsContact C-N 3.31Å; I446-H448 PolarHBondContact O-N 3.18Å; H448-L450 VanDerWaalsContact C-N 3.26Å; H448-L450 PolarHBondContact O-N 3.47Å; H448-T451 PolarHBondContact O-N 3.02Å; H448-T451 VanDerWaalsContact O-N 3.17Å; H448-T451 PolarHBondContact O-OG1 3.27Å; H448-Q452 PolarHBondContact CD2-NE2 3.36Å; H448-Q452 PolarHBondContact NE2-NE2 2.78Å; H448-Q452 PolarHBondContact O-N 2.6Å; H448-Q452 VanDerWaalsContact O-N 3.16Å
449H89.3Confident86Confident24 Ų2462.3 Ų62.311%0.11132%0.317CS..Hα-helixtrans-64.6-32.4175.8-68.386.1000112.3E445 I446 T451 Q452 I453 F526 Y529E445-H449 PolarHBondContact O-N 3.31Å; E445-H449 PolarHBondContact O-ND1 3.37Å; E445-H449 IonicContact OE1-CE1 3.74Å; I446-H449 PolarHBondContact O-N 2.9Å; H449-T451 VanDerWaalsContact C-N 3.31Å; H449-T451 PolarHBondContact O-N 3.42Å; H449-Q452 PolarHBondContact CD2-OE1 3.32Å; H449-Q452 VanDerWaalsContact O-CB 3.31Å; H449-Q452 WeakPolarHBondContact O-CB 3.41Å; H449-Q452 PolarHBondContact O-N 3.09Å; H449-Q452 VanDerWaalsContact O-N 3.07Å; H449-I453 PolarHBondContact O-N 3.16Å; H449-F526 VanDerWaalsContact C-CE2 3.45Å; H449-F526 HydrophobicContact CB-CD2 4.34Å; H449-F526 HydrophobicContact CB-CE2 3.69Å; H449-Y529 HydrophobicContact CB-CE1 4.21Å; H449-Y529 AromaticContact CD2-CD1 3.99Å; H449-Y529 AromaticContact CD2-CE1 3.22Å; H449-Y529 WeakPolarHBondContact CD2-CE1 3.4Å; H449-Y529 AromaticContact CD2-CZ 3.5Å; H449-Y529 VanDerWaalsContact CD2-CZ 3.5Å; H449-Y529 PolarHBondContact CD2-OH 2.93Å; H449-Y529 AromaticContact CE1-CE1 3.82Å; H449-Y529 AromaticContact CE1-CZ 3.81Å; H449-Y529 PolarHBondContact CE1-OH 2.9Å; H449-Y529 AromaticContact CG-CE1 3.47Å; H449-Y529 VanDerWaalsContact CG-CE1 3.47Å; H449-Y529 AromaticContact ND1-CE1 3.81Å; H449-Y529 AromaticContact NE2-CE1 3.47Å; H449-Y529 WeakPolarHBondContact NE2-CE1 3.48Å; H449-Y529 AromaticContact NE2-CZ 3.27Å; H449-Y529 VanDerWaalsContact NE2-CZ 3.27Å; H449-Y529 PolarHBondContact NE2-OH 2.82Å
450L91Very high87.4Confident0 Ų058.6 Ų58.60%030%0.302CS..Hα-helixtrans-63-41.4175.6-161.370.7000110.6L419 L422 L423 I446 F447 H448 Q452 I453 L469 P497 F526L419-L450 HydrophobicContact CB-CD1 4.15Å; L419-L450 HydrophobicContact CB-CD2 4.31Å; L419-L450 HydrophobicContact CD1-CD1 4Å; L419-L450 HydrophobicContact CD1-CD2 4.29Å; L419-L450 HydrophobicContact CD1-CG 4.05Å; L422-L450 HydrophobicContact CB-CD1 4.48Å; L422-L450 HydrophobicContact CD1-CD1 4.31Å; L423-L450 HydrophobicContact CD2-CD2 4.34Å; I446-L450 PolarHBondContact O-N 3.37Å; F447-L450 HydrophobicContact CD1-CD2 4.16Å; F447-L450 HydrophobicContact CE1-CD2 4.41Å; F447-L450 WeakPolarHBondContact O-CB 3.26Å; F447-L450 PolarHBondContact O-N 2.72Å; H448-L450 VanDerWaalsContact C-N 3.26Å; H448-L450 PolarHBondContact O-N 3.47Å; L450-Q452 PolarHBondContact O-N 3.39Å; L450-I453 HydrophobicContact CD1-CD1 3.84Å; L450-I453 VanDerWaalsContact O-CB 3.31Å; L450-I453 WeakPolarHBondContact O-CB 3.38Å; L450-I453 WeakPolarHBondContact O-CG1 3.37Å; L450-I453 PolarHBondContact O-N 3.3Å; L450-I453 VanDerWaalsContact O-N 3.16Å; L450-L469 HydrophobicContact CB-CD2 4.46Å; L450-L469 HydrophobicContact CD2-CD2 3.99Å; L450-P497 HydrophobicContact CD2-CB 3.56Å; L450-P497 HydrophobicContact CD2-CG 4.07Å; L450-F526 HydrophobicContact CB-CE2 4.33Å; L450-F526 HydrophobicContact CB-CZ 4.32Å; L450-F526 HydrophobicContact CD1-CE1 3.94Å; L450-F526 HydrophobicContact CD1-CE2 4.11Å; L450-F526 HydrophobicContact CD1-CZ 3.65Å
451T91.3Very high88.5Confident54 Ų5456.4 Ų56.433%0.33131%0.305SS..Hα-helixtrans-64.7-27.7173.163.20000113.2F447 H448 H449 I453 G454 A455 L469F447-T451 PolarHBondContact O-N 2.87Å; H448-T451 PolarHBondContact O-N 3.02Å; H448-T451 VanDerWaalsContact O-N 3.17Å; H448-T451 PolarHBondContact O-OG1 3.27Å; H449-T451 VanDerWaalsContact C-N 3.31Å; H449-T451 PolarHBondContact O-N 3.42Å; T451-I453 PolarHBondContact O-N 3.09Å; T451-G454 PolarHBondContact O-N 2.89Å; T451-G454 VanDerWaalsContact O-N 3.08Å; T451-A455 PolarHBondContact O-N 3.4Å; T451-L469 HydrophobicContact CG2-CD1 3.64Å; T451-L469 HydrophobicContact CG2-CD2 3.86Å; T451-L469 HydrophobicContact CG2-CG 3.83Å
452Q92Very high89.2Confident65 Ų6551.4 Ų51.430%0.30428%0.28SS..Hα-helixtrans-65.8-19.6175.2-66.1176.5-6.400112.9H448 H449 L450 G454 A455 N456H448-Q452 PolarHBondContact CD2-NE2 3.36Å; H448-Q452 PolarHBondContact NE2-NE2 2.78Å; H448-Q452 PolarHBondContact O-N 2.6Å; H448-Q452 VanDerWaalsContact O-N 3.16Å; H449-Q452 PolarHBondContact CD2-OE1 3.32Å; H449-Q452 VanDerWaalsContact O-CB 3.31Å; H449-Q452 WeakPolarHBondContact O-CB 3.41Å; H449-Q452 PolarHBondContact O-N 3.09Å; H449-Q452 VanDerWaalsContact O-N 3.07Å; L450-Q452 PolarHBondContact O-N 3.39Å; Q452-G454 PolarHBondContact O-N 2.94Å; Q452-A455 PolarHBondContact O-N 3.31Å; Q452-N456 VanDerWaalsContact O-CB 3.3Å; Q452-N456 WeakPolarHBondContact O-CB 3.48Å; Q452-N456 PolarHBondContact O-N 3.33Å; Q452-N456 PolarHBondContact O-ND2 2.87Å; Q452-N456 PolarHBondContact O-OD1 3.48Å
453I92.9Very high90Very high1 Ų151.6 Ų51.61%0.00529%0.291CS..Hα-helixtrans-54.8-45.8169.2-66.8177.1000110L419 L422 H449 L450 T451 N456 L457 V467 I499 V522 F526L419-I453 HydrophobicContact CD1-CD1 4.47Å; L422-I453 HydrophobicContact CD1-CD1 4.12Å; H449-I453 PolarHBondContact O-N 3.16Å; L450-I453 HydrophobicContact CD1-CD1 3.84Å; L450-I453 VanDerWaalsContact O-CB 3.31Å; L450-I453 WeakPolarHBondContact O-CB 3.38Å; L450-I453 WeakPolarHBondContact O-CG1 3.37Å; L450-I453 PolarHBondContact O-N 3.3Å; L450-I453 VanDerWaalsContact O-N 3.16Å; T451-I453 PolarHBondContact O-N 3.09Å; I453-N456 PolarHBondContact O-N 2.78Å; I453-L457 HydrophobicContact CG2-CD1 4.15Å; I453-L457 WeakPolarHBondContact O-CG 3.45Å; I453-L457 PolarHBondContact O-N 3.34Å; I453-V467 HydrophobicContact CB-CG2 4.3Å; I453-V467 HydrophobicContact CG2-CG2 4.31Å; I453-I499 HydrophobicContact CG2-CD1 4.19Å; I453-V522 HydrophobicContact CB-CG1 4.08Å; I453-V522 HydrophobicContact CG1-CG1 4.13Å; I453-V522 HydrophobicContact CG2-CG1 3.77Å; I453-F526 HydrophobicContact CD1-CB 4.23Å; I453-F526 HydrophobicContact CD1-CD1 4.42Å; I453-F526 HydrophobicContact CD1-CD2 4.09Å; I453-F526 HydrophobicContact CD1-CG 3.97Å; I453-F526 HydrophobicContact CG1-CB 4.31Å; I453-F526 HydrophobicContact CG1-CD2 4.08Å; I453-F526 HydrophobicContact CG1-CG 4.28Å
454G92.4Very high90.7Very high17 Ų1752.9 Ų52.918%0.17531%0.313CS..Hα-helixtrans-65.4-43177.200000112.3T451 Q452 L457 F458T451-G454 PolarHBondContact O-N 2.89Å; T451-G454 VanDerWaalsContact O-N 3.08Å; Q452-G454 PolarHBondContact O-N 2.94Å; G454-L457 PolarHBondContact O-N 2.95Å; G454-F458 WeakPolarHBondContact O-CB 3.12Å; G454-F458 PolarHBondContact O-N 2.87Å
455A92.8Very high91.2Very high51 Ų5147.7 Ų47.742%0.42129%0.293SS..Hα-helixtrans-63.2-43176.900000112.1T451 Q452 F458 T459T451-A455 PolarHBondContact O-N 3.4Å; Q452-A455 PolarHBondContact O-N 3.31Å; A455-F458 WeakPolarHBondContact O-CB 3.46Å; A455-F458 PolarHBondContact O-N 2.94Å; A455-T459 WeakPolarHBondContact O-CG2 3.48Å; A455-T459 PolarHBondContact O-N 3.23Å; A455-T459 PolarHBondContact O-OG1 2.82Å
456N93.2Very high91.6Very high54 Ų5446.5 Ų46.529%0.28929%0.286SS..Hα-helixtrans-63.2-45178.6-72.1-9.8000111.1Q452 I453 F458 T459 Q460 V522Q452-N456 VanDerWaalsContact O-CB 3.3Å; Q452-N456 WeakPolarHBondContact O-CB 3.48Å; Q452-N456 PolarHBondContact O-N 3.33Å; Q452-N456 PolarHBondContact O-ND2 2.87Å; Q452-N456 PolarHBondContact O-OD1 3.48Å; I453-N456 PolarHBondContact O-N 2.78Å; N456-F458 VanDerWaalsContact C-N 3.31Å; N456-F458 PolarHBondContact O-N 3.45Å; N456-T459 PolarHBondContact O-N 3.26Å; N456-T459 PolarHBondContact O-OG1 2.84Å; N456-Q460 WeakPolarHBondContact O-CG 3.43Å; N456-Q460 PolarHBondContact O-N 3.19Å; N456-Q460 VanDerWaalsContact O-N 3.08Å; N456-V522 HydrophobicContact CB-CG1 4.06Å; N456-V522 HydrophobicContact CB-CG2 4.14Å
457L93.9Very high92Very high0 Ų047.7 Ų47.70%029%0.294CS..Hα-helixtrans-59.5-44.4173.6-73.8169.2000111.3I453 G454 T459 Q460 G461 C462 V465 I499 K518 L519 V522I453-L457 HydrophobicContact CG2-CD1 4.15Å; I453-L457 WeakPolarHBondContact O-CG 3.45Å; I453-L457 PolarHBondContact O-N 3.34Å; G454-L457 PolarHBondContact O-N 2.95Å; L457-T459 PolarHBondContact O-N 3.28Å; L457-Q460 CarbonylContact O-C 3.56Å; L457-Q460 PolarHBondContact O-N 3.48Å; L457-Q460 VanDerWaalsContact O-N 3.15Å; L457-G461 PolarHBondContact O-N 2.71Å; L457-C462 HydrophobicContact CB-CB 4.01Å; L457-C462 HydrophobicContact CD2-CB 4.37Å; L457-C462 WeakPolarHBondContact O-CA 3.13Å; L457-C462 VanDerWaalsContact O-CB 3.3Å; L457-C462 WeakPolarHBondContact O-CB 3.49Å; L457-C462 PolarHBondContact O-N 2.91Å; L457-V465 HydrophobicContact CD1-CB 4.44Å; L457-V465 HydrophobicContact CD1-CG1 3.85Å; L457-V465 HydrophobicContact CD1-CG2 4.43Å; L457-I499 HydrophobicContact CD1-CD1 3.87Å; L457-K518 HydrophobicContact CD2-CB 4.08Å; L457-L519 HydrophobicContact CD1-CD1 3.91Å; L457-V522 HydrophobicContact CD2-CG2 4.13Å; L457-V522 HydrophobicContact CG-CG2 4.34Å
458F94.2Very high92.3Very high116 Ų11647.7 Ų47.751%0.50929%0.294SS..Hα-helixtrans-59.9-47.2176.8-178.2-102.9000112.4G454 A455 N456 Q460 G461 C462 L585G454-F458 WeakPolarHBondContact O-CB 3.12Å; G454-F458 PolarHBondContact O-N 2.87Å; A455-F458 WeakPolarHBondContact O-CB 3.46Å; A455-F458 PolarHBondContact O-N 2.94Å; N456-F458 VanDerWaalsContact C-N 3.31Å; N456-F458 PolarHBondContact O-N 3.45Å; F458-Q460 PolarHBondContact O-N 3.34Å; F458-G461 PolarHBondContact O-N 2.48Å; F458-C462 WeakPolarHBondContact CA-O 3.32Å; F458-L585 HydrophobicContact CD2-CD1 4.18Å; F458-L585 HydrophobicContact CE2-CD1 3.51Å; F458-L585 HydrophobicContact CZ-CD1 4.33Å
459T93.4Very high92.6Very high111 Ų11143.8 Ų43.868%0.68128%0.276SS*.Hα-helixtrans-63.1-24.9177.161.10000113.5A455 N456 L457 G461A455-T459 WeakPolarHBondContact O-CG2 3.48Å; A455-T459 PolarHBondContact O-N 3.23Å; A455-T459 PolarHBondContact O-OG1 2.82Å; N456-T459 PolarHBondContact O-N 3.26Å; N456-T459 PolarHBondContact O-OG1 2.84Å; L457-T459 PolarHBondContact O-N 3.28Å; T459-G461 PolarHBondContact O-N 3.08Å
460Q91.8Very high92.7Very high78 Ų7842.6 Ų42.636%0.36427%0.271SS..THydrogen-bonded Turntrans-86.59.4173.9-67.2176.448.600112.5N456 L457 F458 K518N456-Q460 WeakPolarHBondContact O-CG 3.43Å; N456-Q460 PolarHBondContact O-N 3.19Å; N456-Q460 VanDerWaalsContact O-N 3.08Å; L457-Q460 CarbonylContact O-C 3.56Å; L457-Q460 PolarHBondContact O-N 3.48Å; L457-Q460 VanDerWaalsContact O-N 3.15Å; F458-Q460 PolarHBondContact O-N 3.34Å; Q460-K518 HydrophobicContact CB-CD 4.13Å; Q460-K518 WeakPolarHBondContact O-CE 3.3Å; Q460-K518 PolarHBondContact O-NZ 2.87Å
461G92.1Very high92.6Very high63 Ų6343 Ų4365%0.64927%0.274SS*.THydrogen-bonded Turntrans79.218.8179.500000114.7L457 F458 T459L457-G461 PolarHBondContact O-N 2.71Å; F458-G461 PolarHBondContact O-N 2.48Å; T459-G461 PolarHBondContact O-N 3.08Å
462C91.7Very high92.4Very high15 Ų1543.6 Ų43.610%0.10128%0.278CS..  trans-93.5103.4169.1-69.30000110.4L457 F458 K518L457-C462 HydrophobicContact CB-CB 4.01Å; L457-C462 HydrophobicContact CD2-CB 4.37Å; L457-C462 WeakPolarHBondContact O-CA 3.13Å; L457-C462 VanDerWaalsContact O-CB 3.3Å; L457-C462 WeakPolarHBondContact O-CB 3.49Å; L457-C462 PolarHBondContact O-N 2.91Å; F458-C462 WeakPolarHBondContact CA-O 3.32Å; C462-K518 WeakPolarHBondContact SG-CD 3.39Å
463S92.5Very high92.1Very high91 Ų9143 Ų4364%0.63628%0.276SS*.  trans-91.7162.6173.557.50000112.7V465S463-V465 VanDerWaalsContact C-N 3.27Å; S463-V465 PolarHBondContact O-N 2.82Å
464G91.4Very high91.7Very high57 Ų5744.7 Ų44.759%0.58829%0.286SS*.SBendtrans83.3-7.1173.300000115.4
465V92.9Very high91.6Very high29 Ų2951.2 Ų51.218%0.17632%0.317CS..  trans-78.1135.1175.6-175.20000110.1L457 S463 I499 F515L457-V465 HydrophobicContact CD1-CB 4.44Å; L457-V465 HydrophobicContact CD1-CG1 3.85Å; L457-V465 HydrophobicContact CD1-CG2 4.43Å; S463-V465 VanDerWaalsContact C-N 3.27Å; S463-V465 PolarHBondContact O-N 2.82Å; V465-I499 HydrophobicContact CG1-CD1 3.33Å; V465-I499 HydrophobicContact CG1-CG1 3.38Å; V465-F515 HydrophobicContact CG2-CD2 4.14Å; V465-F515 HydrophobicContact CG2-CE2 3.52Å; V465-F515 HydrophobicContact CG2-CZ 4.27Å
466R92.7Very high91.5Very high36 Ų3651.4 Ų51.414%0.13632%0.315CS..EExtended strand (participates in β ladder)trans-124.4124.6177.9-54.6172.466.6-1562.9110I468 N488 I499 N500R466-I468 HydrophobicContact CB-CD1 3.66Å; R466-N488 PolarHBondContact NH2-OD1 3.44Å; R466-I499 CarbonylContact O-C 3.54Å; R466-I499 VanDerWaalsContact O-CA 3.3Å; R466-I499 WeakPolarHBondContact O-CA 3.27Å; R466-N500 HydrophobicContact CB-CB 4.25Å; R466-N500 PolarHBondContact N-O 3.48Å; R466-N500 PolarHBondContact O-N 3.12Å
467V95Very high91.6Very high28 Ų2850.5 Ų50.517%0.1731%0.312CS..EExtended strand (participates in β ladder)trans-96.2119169.7179.20000108.2L419 I453 L469 I499L419-V467 HydrophobicContact CD1-CG1 4.05Å; I453-V467 HydrophobicContact CB-CG2 4.3Å; I453-V467 HydrophobicContact CG2-CG2 4.31Å; V467-L469 HydrophobicContact CG1-CD2 4.5Å; V467-I499 HydrophobicContact CG2-CD1 4.25Å; V467-I499 HydrophobicContact CG2-CG1 4.16Å
468I95Very high91.7Very high6 Ų657.1 Ų57.13%0.03134%0.341CS..EExtended strand (participates in β ladder)trans-107.4132.3-177.3-49.1-34.1000108.4R466 N488 P497 Y498R466-I468 HydrophobicContact CB-CD1 3.66Å; I468-N488 HydrophobicContact CD1-CB 3.85Å; I468-N488 HydrophobicContact CG2-CB 4.32Å; I468-P497 CarbonylContact O-C 3.48Å; I468-P497 WeakPolarHBondContact O-CA 3.39Å; I468-Y498 HydrophobicContact CB-CD1 4.12Å; I468-Y498 HydrophobicContact CB-CD2 4.16Å; I468-Y498 HydrophobicContact CB-CE1 3.72Å; I468-Y498 HydrophobicContact CB-CE2 3.79Å; I468-Y498 HydrophobicContact CB-CG 4.32Å; I468-Y498 HydrophobicContact CG1-CD2 4.02Å; I468-Y498 HydrophobicContact CG1-CE1 4.24Å; I468-Y498 HydrophobicContact CG1-CE2 3.41Å; I468-Y498 VanDerWaalsContact CG1-CE2 3.41Å; I468-Y498 HydrophobicContact CG2-CD1 4.47Å; I468-Y498 HydrophobicContact CG2-CE1 3.7Å; I468-Y498 HydrophobicContact CG2-CE2 4.4Å; I468-Y498 PolarHBondContact N-O 2.82Å; I468-Y498 PolarHBondContact O-N 2.96Å
469L92.9Very high91.6Very high23 Ų2352.4 Ų52.412%0.1232%0.321CS..  trans-98.7160.1177.5-60.7-169.9000110.8F447 L450 T451 V467 M473 T474F447-L469 HydrophobicContact CB-CD1 4.16Å; F447-L469 HydrophobicContact CD1-CD2 3.88Å; L450-L469 HydrophobicContact CB-CD2 4.46Å; L450-L469 HydrophobicContact CD2-CD2 3.99Å; T451-L469 HydrophobicContact CG2-CD1 3.64Å; T451-L469 HydrophobicContact CG2-CD2 3.86Å; T451-L469 HydrophobicContact CG2-CG 3.83Å; V467-L469 HydrophobicContact CG1-CD2 4.5Å; L469-M473 HydrophobicContact CB-CB 4.44Å; L469-T474 HydrophobicContact CB-CG2 3.82Å
470P91Very high91.7Very high0 Ų051.3 Ų51.30%031%0.311CS..  trans-55.8147.1168.8-25.536.9000111.5F447 T472 M473 T474 S494 N495 P497F447-P470 HydrophobicContact CE1-CG 3.93Å; F447-P470 HydrophobicContact CZ-CG 4.12Å; P470-T472 VanDerWaalsContact C-N 3.26Å; P470-T472 PolarHBondContact O-N 2.96Å; P470-M473 HydrophobicContact CB-CG 4.31Å; P470-M473 HydrophobicContact CG-CG 4.49Å; P470-M473 WeakPolarHBondContact O-CB 3.22Å; P470-M473 PolarHBondContact O-N 3.5Å; P470-T474 PolarHBondContact O-N 3.35Å; P470-S494 CarbonylContact C-O 3.47Å; P470-S494 WeakPolarHBondContact CA-O 2.87Å; P470-N495 WeakPolarHBondContact CG-O 3.22Å; P470-P497 HydrophobicContact CG-CB 4.45Å
471A89.6Confident91.8Very high9 Ų949.6 Ų49.67%0.07431%0.305CS..G310 helixtrans-55-41.8-177.400000112.7M473 T474 G486 S492 S494A471-M473 PolarHBondContact O-N 3.47Å; A471-M473 VanDerWaalsContact O-N 3.12Å; A471-T474 PolarHBondContact O-N 3.16Å; A471-T474 VanDerWaalsContact O-N 3.12Å; A471-T474 PolarHBondContact O-OG1 3.28Å; A471-G486 VanDerWaalsContact CB-CA 3.45Å; A471-S492 WeakPolarHBondContact CB-O 3.14Å; A471-S494 WeakPolarHBondContact CB-O 3.49Å; A471-S494 PolarHBondContact N-O 2.77Å
472T86.4Confident92.1Very high66 Ų6646.7 Ų46.741%0.40527%0.274SS..G310 helixtrans-63.1-17.8178.157.50000114.1I432 E433 P470I432-T472 HydrophobicContact CG2-CG2 4.47Å; I432-T472 WeakPolarHBondContact CG2-OG1 3.2Å; E433-T472 HydrophobicContact CG-CG2 4.36Å; P470-T472 VanDerWaalsContact C-N 3.26Å; P470-T472 PolarHBondContact O-N 2.96Å
473M86.2Confident92.2Very high52 Ų5250.5 Ų50.526%0.25629%0.291SS..G310 helixtrans-101.2-2.5-179.3-61.8-6987.500113.4R443 F447 L469 P470 A471R443-M473 HydrophobicContact CG-SD 3.75Å; R443-M473 PolarHBondContact NE-SD 2.95Å; F447-M473 HydrophobicContact CD1-CG 4.32Å; F447-M473 HydrophobicContact CD2-CB 4.28Å; F447-M473 HydrophobicContact CD2-CG 3.59Å; F447-M473 HydrophobicContact CD2-SD 3.31Å; F447-M473 WeakPolarHBondContact CD2-SD 3.34Å; F447-M473 HydrophobicContact CE1-CG 4.18Å; F447-M473 HydrophobicContact CE2-CG 3.44Å; F447-M473 VanDerWaalsContact CE2-CG 3.44Å; F447-M473 HydrophobicContact CE2-SD 3.34Å; F447-M473 WeakPolarHBondContact CE2-SD 3.38Å; F447-M473 HydrophobicContact CG-CB 4.3Å; F447-M473 HydrophobicContact CG-CG 4.04Å; F447-M473 HydrophobicContact CG-SD 4.22Å; F447-M473 HydrophobicContact CZ-CG 3.75Å; F447-M473 HydrophobicContact CZ-SD 4.25Å; L469-M473 HydrophobicContact CB-CB 4.44Å; P470-M473 HydrophobicContact CB-CG 4.31Å; P470-M473 HydrophobicContact CG-CG 4.49Å; P470-M473 WeakPolarHBondContact O-CB 3.22Å; P470-M473 PolarHBondContact O-N 3.5Å; A471-M473 PolarHBondContact O-N 3.47Å; A471-M473 VanDerWaalsContact O-N 3.12Å
474T85.5Confident92.4Very high37 Ų3746.2 Ų46.223%0.22726%0.261CS..SBendtrans-107.8142.4178.258.70000110.1L469 P470 A471L469-T474 HydrophobicContact CB-CG2 3.82Å; P470-T474 PolarHBondContact O-N 3.35Å; A471-T474 PolarHBondContact O-N 3.16Å; A471-T474 VanDerWaalsContact O-N 3.12Å; A471-T474 PolarHBondContact O-OG1 3.28Å
475N89.2Confident92.5Very high153 Ų15347.2 Ų47.282%0.81825%0.253SS*.  trans-69.8140.6165-65.3-26.9000109T477N475-T477 PolarHBondContact O-N 3.21Å
476S91.3Very high92.5Very high55 Ų5545.9 Ų45.939%0.38525%0.245SC..  trans-55.5130.4175.7-40.70000109.9F484 D485S476-F484 WeakPolarHBondContact CA-O 3.49Å; S476-D485 VanDerWaalsContact CB-OD1 3.28Å; S476-D485 WeakPolarHBondContact CB-OD1 3.23Å; S476-D485 PolarHBondContact OG-OD1 3.26Å
477T94.8Very high92.5Very high36 Ų3644.8 Ų44.822%0.22124%0.241CC..EExtended strand (participates in β ladder)trans-87.7114.9176.7-65.20000109.1N475 L479 F484 F487N475-T477 PolarHBondContact O-N 3.21Å; T477-L479 HydrophobicContact CG2-CD2 4.44Å; T477-L479 HydrophobicContact CG2-CG 4.42Å; T477-F484 PolarHBondContact N-O 3Å; T477-F484 PolarHBondContact O-N 3.42Å; T477-F487 HydrophobicContact CG2-CB 4.43Å; T477-F487 HydrophobicContact CG2-CD1 4.06Å; T477-F487 HydrophobicContact CG2-CD2 4.16Å; T477-F487 HydrophobicContact CG2-CE1 4.39Å; T477-F487 HydrophobicContact CG2-CE2 4.46Å; T477-F487 HydrophobicContact CG2-CG 3.95Å; T477-F487 VanDerWaalsContact OG1-CB 3.3Å; T477-F487 WeakPolarHBondContact OG1-CB 3.24Å
478K95.3Very high92.5Very high139 Ų13945.9 Ų45.960%0.60425%0.246SC*.EExtended strand (participates in β ladder)trans-79.3125176.1-170.1169.3-177.5166.60111.4D480 Y482 E483K478-D480 WeakPolarHBondContact CE-O 2.93Å; K478-D480 WeakPolarHBondContact CG-O 3.36Å; K478-Y482 CarbonylContact C-O 3.42Å; K478-Y482 VanDerWaalsContact CA-O 3.29Å; K478-Y482 WeakPolarHBondContact CA-O 3.3Å; K478-E483 HydrophobicContact CG-CG 4.45Å
479L94Very high92.4Very high17 Ų1745.6 Ų45.69%0.08924%0.244CC..EExtended strand (participates in β ladder)trans-126.5104.8169.9-62.7178.6000108.1K174 F177 T477 V481 Y482 F484 F487K174-L479 HydrophobicContact CD-CD2 4.38Å; K174-L479 HydrophobicContact CG-CD2 4.21Å; F177-L479 HydrophobicContact CB-CD1 4.17Å; F177-L479 HydrophobicContact CD1-CB 3.75Å; F177-L479 HydrophobicContact CD1-CD1 3.74Å; F177-L479 HydrophobicContact CD1-CG 4.38Å; F177-L479 HydrophobicContact CE1-CB 3.76Å; F177-L479 HydrophobicContact CE1-CD1 4.41Å; F177-L479 HydrophobicContact CG-CD1 4.05Å; T477-L479 HydrophobicContact CG2-CD2 4.44Å; T477-L479 HydrophobicContact CG2-CG 4.42Å; L479-V481 PolarHBondContact O-N 2.8Å; L479-Y482 PolarHBondContact N-O 3.34Å; L479-Y482 WeakPolarHBondContact O-CB 3.11Å; L479-Y482 WeakPolarHBondContact O-CD2 3.25Å; L479-Y482 PolarHBondContact O-N 3.24Å; L479-Y482 VanDerWaalsContact O-N 3.1Å; L479-F484 HydrophobicContact CB-CD2 4.36Å; L479-F484 HydrophobicContact CB-CE2 4.11Å; L479-F484 HydrophobicContact CD1-CD2 4.06Å; L479-F484 HydrophobicContact CD1-CE2 3.95Å; L479-F484 HydrophobicContact CG-CD2 4.27Å; L479-F484 HydrophobicContact CG-CE2 4.35Å; L479-F487 HydrophobicContact CD1-CE2 3.84Å; L479-F487 HydrophobicContact CD1-CZ 4.29Å
480D93.8Very high92.6Very high88 Ų8844.5 Ų44.547%0.47124%0.239SC..THydrogen-bonded Turntrans56.7-119.3-169.4-168.733.2000111.3L181 Y230 K478L181-D480 HydrophobicContact CD1-CB 3.67Å; L181-D480 HydrophobicContact CD2-CB 4.36Å; Y230-D480 PolarHBondContact OH-OD2 3.45Å; K478-D480 WeakPolarHBondContact CE-O 2.93Å; K478-D480 WeakPolarHBondContact CG-O 3.36Å
481V95.4Very high92.7Very high41 Ų4144.8 Ų44.825%0.24824%0.241CC..THydrogen-bonded Turntrans-91-0.3179.3-60.80000113.6A226 A229 Y230 L479A226-V481 HydrophobicContact CB-CG2 3.82Å; A229-V481 HydrophobicContact CB-CB 4Å; A229-V481 HydrophobicContact CB-CG1 3.65Å; A229-V481 HydrophobicContact CB-CG2 4.15Å; Y230-V481 HydrophobicContact CE2-CG2 3.77Å; L479-V481 PolarHBondContact O-N 2.8Å
482Y96.6Very high92.9Very high2 Ų246.5 Ų46.51%0.00825%0.252CS..EExtended strand (participates in β ladder)trans-97.9136.6-176.3-58.6-101.4000110.8F177 P187 P189 L219 W223 A226 Y230 K478 L479 F484F177-Y482 AromaticContact CE1-CD2 3.91Å; F177-Y482 HydrophobicContact CE1-CD2 3.91Å; F177-Y482 HydrophobicContact CE1-CE2 4.41Å; F177-Y482 HydrophobicContact CE1-CG 4.34Å; F177-Y482 HydrophobicContact CZ-CD1 4.16Å; F177-Y482 AromaticContact CZ-CD2 3.52Å; F177-Y482 HydrophobicContact CZ-CD2 3.52Å; F177-Y482 HydrophobicContact CZ-CE1 4.41Å; F177-Y482 AromaticContact CZ-CE2 3.83Å; F177-Y482 HydrophobicContact CZ-CE2 3.83Å; F177-Y482 AromaticContact CZ-CG 3.72Å; F177-Y482 HydrophobicContact CZ-CG 3.72Å; P187-Y482 WeakPolarHBondContact CD-OH 3.31Å; P187-Y482 HydrophobicContact CG-CE2 4.42Å; P187-Y482 WeakPolarHBondContact O-CE1 3.4Å; P187-Y482 PolarHBondContact O-OH 2.79Å; P189-Y482 HydrophobicContact CG-CD1 4.07Å; P189-Y482 HydrophobicContact CG-CE1 4.12Å; L219-Y482 HydrophobicContact CD1-CE1 4.41Å; W223-Y482 HydrophobicContact CD2-CD1 4.03Å; W223-Y482 HydrophobicContact CD2-CE1 4.47Å; W223-Y482 AromaticContact CE3-CD1 3.73Å; W223-Y482 HydrophobicContact CE3-CD1 3.73Å; W223-Y482 HydrophobicContact CG-CD1 4.43Å; W223-Y482 HydrophobicContact CG-CE1 4.44Å; W223-Y482 HydrophobicContact CZ3-CD1 4.25Å; A226-Y482 HydrophobicContact CB-CD1 4.07Å; A226-Y482 HydrophobicContact CB-CE1 3.58Å; A226-Y482 HydrophobicContact CB-CE2 4.22Å; Y230-Y482 HydrophobicContact CE2-CE2 4.03Å; Y230-Y482 WeakPolarHBondContact CE2-OH 3.27Å; K478-Y482 CarbonylContact C-O 3.42Å; K478-Y482 VanDerWaalsContact CA-O 3.29Å; K478-Y482 WeakPolarHBondContact CA-O 3.3Å; L479-Y482 PolarHBondContact N-O 3.34Å; L479-Y482 WeakPolarHBondContact O-CB 3.11Å; L479-Y482 WeakPolarHBondContact O-CD2 3.25Å; L479-Y482 PolarHBondContact O-N 3.24Å; L479-Y482 VanDerWaalsContact O-N 3.1Å; Y482-F484 VanDerWaalsContact CB-CE2 3.5Å; Y482-F484 HydrophobicContact CG-CE2 4.32Å; Y482-F484 HydrophobicContact CG-CZ 4.47Å
483E95.4Very high93.1Very high96 Ų9649.7 Ų49.745%0.44927%0.265SS..EExtended strand (participates in β ladder)trans-114.6109174.9-68.5-179.9173.700108.6K478K478-E483 HydrophobicContact CG-CG 4.45Å
484F95.5Very high93.4Very high1 Ų148 Ų480%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-95.7106.7-177.8-69.6-85.6000110.7W168 F177 P189 W223 S476 T477 L479 Y482 F487W168-F484 HydrophobicContact CZ3-CE1 4.14Å; W168-F484 HydrophobicContact CZ3-CZ 4.19Å; F177-F484 HydrophobicContact CD2-CZ 4.09Å; F177-F484 HydrophobicContact CE1-CE2 4.18Å; F177-F484 HydrophobicContact CE1-CZ 4.49Å; F177-F484 HydrophobicContact CE2-CE2 4.14Å; F177-F484 AromaticContact CE2-CZ 3.65Å; F177-F484 HydrophobicContact CE2-CZ 3.65Å; F177-F484 AromaticContact CZ-CE2 3.96Å; F177-F484 HydrophobicContact CZ-CE2 3.96Å; F177-F484 AromaticContact CZ-CZ 3.87Å; F177-F484 HydrophobicContact CZ-CZ 3.87Å; P189-F484 HydrophobicContact CB-CE1 4.07Å; P189-F484 HydrophobicContact CB-CZ 4.44Å; P189-F484 HydrophobicContact CG-CE1 3.95Å; P189-F484 HydrophobicContact CG-CZ 3.86Å; W223-F484 AromaticContact CH2-CD1 3.66Å; W223-F484 HydrophobicContact CH2-CD1 3.66Å; W223-F484 AromaticContact CH2-CE1 3.53Å; W223-F484 HydrophobicContact CH2-CE1 3.53Å; W223-F484 HydrophobicContact CH2-CG 4.45Å; W223-F484 HydrophobicContact CH2-CZ 4.24Å; W223-F484 HydrophobicContact CZ2-CE1 4.07Å; W223-F484 HydrophobicContact CZ3-CD1 4.33Å; W223-F484 HydrophobicContact CZ3-CE1 4.21Å; S476-F484 WeakPolarHBondContact CA-O 3.49Å; T477-F484 PolarHBondContact N-O 3Å; T477-F484 PolarHBondContact O-N 3.42Å; L479-F484 HydrophobicContact CB-CD2 4.36Å; L479-F484 HydrophobicContact CB-CE2 4.11Å; L479-F484 HydrophobicContact CD1-CD2 4.06Å; L479-F484 HydrophobicContact CD1-CE2 3.95Å; L479-F484 HydrophobicContact CG-CD2 4.27Å; L479-F484 HydrophobicContact CG-CE2 4.35Å; Y482-F484 VanDerWaalsContact CB-CE2 3.5Å; Y482-F484 HydrophobicContact CG-CE2 4.32Å; Y482-F484 HydrophobicContact CG-CZ 4.47Å; F484-F487 HydrophobicContact CB-CB 4.29Å; F484-F487 HydrophobicContact CB-CD2 3.72Å; F484-F487 HydrophobicContact CB-CG 4.49Å; F484-F487 HydrophobicContact CG-CD2 4.16Å
485D93.7Very high93.5Very high77 Ų7749.6 Ų49.641%0.41227%0.266SS..THydrogen-bonded Turntrans-69.7142.4168.1-62.4-32.1000110.6R170 S476 F487 S492R170-D485 PolarHBondContact NH2-O 2.85Å; S476-D485 VanDerWaalsContact CB-OD1 3.28Å; S476-D485 WeakPolarHBondContact CB-OD1 3.23Å; S476-D485 PolarHBondContact OG-OD1 3.26Å; D485-F487 PolarHBondContact O-N 3.31Å; D485-S492 WeakPolarHBondContact O-CA 3.35Å
486G92.3Very high93.5Very high1 Ų143.7 Ų43.71%0.0123%0.234CC..THydrogen-bonded Turntrans60.729.4-178.100000114.5A471 N488 S489A471-G486 VanDerWaalsContact CB-CA 3.45Å; G486-N488 PolarHBondContact O-N 3.37Å; G486-S489 WeakPolarHBondContact O-CB 3.38Å; G486-S489 PolarHBondContact O-N 3.39Å; G486-S489 PolarHBondContact O-OG 3.14Å
487F93.9Very high93.6Very high13 Ų1341 Ų416%0.05722%0.216CC..THydrogen-bonded Turntrans-54.3138.2177.5-165.4-91.5000110.9D172 K174 T477 L479 F484 D485D172-F487 HydrophobicContact CB-CD1 4.31Å; D172-F487 HydrophobicContact CB-CD2 3.96Å; D172-F487 HydrophobicContact CB-CE1 4.18Å; D172-F487 HydrophobicContact CB-CE2 3.84Å; D172-F487 HydrophobicContact CB-CG 4.2Å; D172-F487 HydrophobicContact CB-CZ 3.95Å; D172-F487 VanDerWaalsContact OD2-CA 3.29Å; D172-F487 WeakPolarHBondContact OD2-CA 3.33Å; K174-F487 HydrophobicContact CG-CE1 4.31Å; K174-F487 HydrophobicContact CG-CZ 3.9Å; T477-F487 HydrophobicContact CG2-CB 4.43Å; T477-F487 HydrophobicContact CG2-CD1 4.06Å; T477-F487 HydrophobicContact CG2-CD2 4.16Å; T477-F487 HydrophobicContact CG2-CE1 4.39Å; T477-F487 HydrophobicContact CG2-CE2 4.46Å; T477-F487 HydrophobicContact CG2-CG 3.95Å; T477-F487 VanDerWaalsContact OG1-CB 3.3Å; T477-F487 WeakPolarHBondContact OG1-CB 3.24Å; L479-F487 HydrophobicContact CD1-CE2 3.84Å; L479-F487 HydrophobicContact CD1-CZ 4.29Å; F484-F487 HydrophobicContact CB-CB 4.29Å; F484-F487 HydrophobicContact CB-CD2 3.72Å; F484-F487 HydrophobicContact CB-CG 4.49Å; F484-F487 HydrophobicContact CG-CD2 4.16Å; D485-F487 PolarHBondContact O-N 3.31Å
488N93.8Very high93.7Very high51 Ų5139.4 Ų39.427%0.27321%0.205SC..THydrogen-bonded Turntrans90.1-21.6-166.6-55.8-68.4000115D172 R466 I468 G486D172-N488 VanDerWaalsContact CB-N 3.3Å; D172-N488 PolarHBondContact OD2-N 3.08Å; R466-N488 PolarHBondContact NH2-OD1 3.44Å; I468-N488 HydrophobicContact CD1-CB 3.85Å; I468-N488 HydrophobicContact CG2-CB 4.32Å; G486-N488 PolarHBondContact O-N 3.37Å
489S94.7Very high93.7Very high0 Ų033 Ų330%018%0.178CC..THydrogen-bonded Turntrans-90.8-9.9179.577.80000114.6D172 L201 G486 S491 S494 Y498D172-S489 PolarHBondContact OD2-N 3.14Å; L201-S489 WeakPolarHBondContact CD1-O 3.18Å; G486-S489 WeakPolarHBondContact O-CB 3.38Å; G486-S489 PolarHBondContact O-N 3.39Å; G486-S489 PolarHBondContact O-OG 3.14Å; S489-S491 PolarHBondContact O-N 3.09Å; S489-S491 PolarHBondContact OG-N 2.8Å; S489-S491 PolarHBondContact OG-O 3.3Å; S489-S494 VanDerWaalsContact CB-CB 3.45Å; S489-S494 WeakPolarHBondContact OG-CB 3.44Å; S489-Y498 WeakPolarHBondContact CA-OH 3.33Å
490H95.8Very high93.8Very high0 Ų032.3 Ų32.30%017%0.174CC..THydrogen-bonded Turntrans6810.7-175.8-42-40.8000114D172 L192 L201 F255 R258D172-H490 WeakPolarHBondContact CB-ND1 3.42Å; D172-H490 PolarHBondContact N-ND1 3.33Å; D172-H490 WeakPolarHBondContact OD2-CA 3.41Å; D172-H490 PolarHBondContact OD2-N 3.31Å; D172-H490 IonicContact OD2-ND1 3.76Å; L192-H490 HydrophobicContact CD1-CB 3.85Å; L201-H490 HydrophobicContact CD1-CB 4.13Å; F255-H490 PolarHBondContact O-CD2 3.03Å; F255-H490 PolarHBondContact O-NE2 3.14Å; R258-H490 HydrophobicContact CB-CB 4.31Å; R258-H490 VanDerWaalsContact CB-CD2 3.43Å; R258-H490 WeakPolarHBondContact CB-CD2 3.18Å
491S94.4Very high93.9Very high6 Ų628.7 Ų28.74%0.04216%0.156CC..  trans-148.3137.7-179.21790000111.3S489 I493S489-S491 PolarHBondContact O-N 3.09Å; S489-S491 PolarHBondContact OG-N 2.8Å; S489-S491 PolarHBondContact OG-O 3.3Å; S491-I493 PolarHBondContact O-N 3.16Å; S491-I493 VanDerWaalsContact OG-CG1 3.29Å; S491-I493 WeakPolarHBondContact OG-CG1 3.36Å; S491-I493 PolarHBondContact OG-N 3.49Å
492S92.9Very high94Very high45 Ų4528.6 Ų28.632%0.31516%0.16SC..THydrogen-bonded Turntrans-69.7-18173.350.50000113.4A471 D485A471-S492 WeakPolarHBondContact CB-O 3.14Å; D485-S492 WeakPolarHBondContact O-CA 3.35Å
493I91.6Very high94Very high133 Ų13328.5 Ų28.568%0.68216%0.16SC*.THydrogen-bonded Turntrans-113.515.6-175.161.6168.3000113S491 N495S491-I493 PolarHBondContact O-N 3.16Å; S491-I493 VanDerWaalsContact OG-CG1 3.29Å; S491-I493 WeakPolarHBondContact OG-CG1 3.36Å; S491-I493 PolarHBondContact OG-N 3.49Å; I493-N495 PolarHBondContact O-N 2.97Å
494S90.9Very high94Very high18 Ų1826.6 Ų26.613%0.12616%0.157CC..  trans-60.3126.1177.2-174.50000110.8P470 A471 S489P470-S494 CarbonylContact C-O 3.47Å; P470-S494 WeakPolarHBondContact CA-O 2.87Å; A471-S494 WeakPolarHBondContact CB-O 3.49Å; A471-S494 PolarHBondContact N-O 2.77Å; S489-S494 VanDerWaalsContact CB-CB 3.45Å; S489-S494 WeakPolarHBondContact OG-CB 3.44Å
495N88.7Confident94.1Very high70 Ų7027.1 Ų27.137%0.37416%0.159SC..  trans-117.5-10.1-174.159.9-1.9000113.6I429 P470 I493I429-N495 HydrophobicContact CG2-CB 4.18Å; I429-N495 VanDerWaalsContact CG2-ND2 3.27Å; I429-N495 WeakPolarHBondContact CG2-ND2 3.48Å; P470-N495 WeakPolarHBondContact CG-O 3.22Å; I493-N495 PolarHBondContact O-N 2.97Å
496I88.9Confident94.2Very high28 Ų2824.5 Ų24.514%0.14415%0.151CC..  trans-102.2124.8-177.5-67.6156.3000108.9S418 I429 Y498S418-I496 WeakPolarHBondContact OG-CG2 3.35Å; I429-I496 HydrophobicContact CD1-CD1 4.28Å; I429-I496 HydrophobicContact CD1-CG1 3.45Å; I429-I496 VanDerWaalsContact CD1-CG1 3.45Å; I496-Y498 WeakPolarHBondContact O-CD1 3.4Å
497P93.6Very high94.4Very high0 Ų026.5 Ų26.50%016%0.16CC..  trans-72.5142.1163.828.4-29.4000110.3L419 L423 L450 I468 P470L419-P497 HydrophobicContact CB-CB 4.27Å; L419-P497 HydrophobicContact CB-CG 4.3Å; L419-P497 PolarHBondContact N-O 2.79Å; L423-P497 HydrophobicContact CD1-CG 4.02Å; L450-P497 HydrophobicContact CD2-CB 3.56Å; L450-P497 HydrophobicContact CD2-CG 4.07Å; I468-P497 CarbonylContact O-C 3.48Å; I468-P497 WeakPolarHBondContact O-CA 3.39Å; P470-P497 HydrophobicContact CG-CB 4.45Å
498Y95.8Very high94.5Very high2 Ų231 Ų311%0.00818%0.179CC..EExtended strand (participates in β ladder)trans-151.2164.117860.7-89.1000112.2A256 P257 A416 L417 I468 S489 I496 N500A256-Y498 WeakPolarHBondContact O-CE2 3.47Å; P257-Y498 VanDerWaalsContact CD-CZ 3.41Å; P257-Y498 WeakPolarHBondContact CD-OH 3.32Å; A416-Y498 HydrophobicContact CB-CD2 3.79Å; A416-Y498 HydrophobicContact CB-CE2 4.32Å; A416-Y498 HydrophobicContact CB-CG 4.37Å; L417-Y498 CarbonylContact O-C 3.21Å; L417-Y498 WeakPolarHBondContact O-CA 3.48Å; L417-Y498 WeakPolarHBondContact O-CB 3.4Å; I468-Y498 HydrophobicContact CB-CD1 4.12Å; I468-Y498 HydrophobicContact CB-CD2 4.16Å; I468-Y498 HydrophobicContact CB-CE1 3.72Å; I468-Y498 HydrophobicContact CB-CE2 3.79Å; I468-Y498 HydrophobicContact CB-CG 4.32Å; I468-Y498 HydrophobicContact CG1-CD2 4.02Å; I468-Y498 HydrophobicContact CG1-CE1 4.24Å; I468-Y498 HydrophobicContact CG1-CE2 3.41Å; I468-Y498 VanDerWaalsContact CG1-CE2 3.41Å; I468-Y498 HydrophobicContact CG2-CD1 4.47Å; I468-Y498 HydrophobicContact CG2-CE1 3.7Å; I468-Y498 HydrophobicContact CG2-CE2 4.4Å; I468-Y498 PolarHBondContact N-O 2.82Å; I468-Y498 PolarHBondContact O-N 2.96Å; S489-Y498 WeakPolarHBondContact CA-OH 3.33Å; I496-Y498 WeakPolarHBondContact O-CD1 3.4Å; Y498-N500 VanDerWaalsContact CE2-OD1 3.29Å; Y498-N500 WeakPolarHBondContact CE2-OD1 3.48Å
499I96.1Very high94.6Very high4 Ų432.5 Ų32.52%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-111.1131.5171.2-166.9172.1000110A416 L417 L419 I453 L457 V465 R466 V467 L519A416-I499 WeakPolarHBondContact CA-O 3.42Å; L417-I499 HydrophobicContact CB-CG2 3.69Å; L417-I499 HydrophobicContact CD2-CG2 4.11Å; L417-I499 HydrophobicContact CG-CG2 4.25Å; L417-I499 PolarHBondContact N-O 3.06Å; L417-I499 PolarHBondContact O-N 2.99Å; L419-I499 HydrophobicContact CD1-CB 4.32Å; L419-I499 HydrophobicContact CD2-CG2 4.18Å; I453-I499 HydrophobicContact CG2-CD1 4.19Å; L457-I499 HydrophobicContact CD1-CD1 3.87Å; V465-I499 HydrophobicContact CG1-CD1 3.33Å; V465-I499 HydrophobicContact CG1-CG1 3.38Å; R466-I499 CarbonylContact O-C 3.54Å; R466-I499 VanDerWaalsContact O-CA 3.3Å; R466-I499 WeakPolarHBondContact O-CA 3.27Å; V467-I499 HydrophobicContact CG2-CD1 4.25Å; V467-I499 HydrophobicContact CG2-CG1 4.16Å; I499-L519 HydrophobicContact CD1-CD1 3.73Å
500N95.8Very high94.7Very high3 Ų338.1 Ų38.12%0.01621%0.207CC..EExtended strand (participates in β ladder)trans-92.7137.2171.1-73.7124.5000111.7A256 L415 R466 Y498A256-N500 PolarHBondContact O-ND2 3.22Å; A256-N500 PolarHBondContact O-OD1 3.27Å; L415-N500 WeakPolarHBondContact O-CA 3.37Å; L415-N500 PolarHBondContact O-ND2 3.41Å; L415-N500 VanDerWaalsContact O-ND2 3.15Å; R466-N500 HydrophobicContact CB-CB 4.25Å; R466-N500 PolarHBondContact N-O 3.48Å; R466-N500 PolarHBondContact O-N 3.12Å; Y498-N500 VanDerWaalsContact CE2-OD1 3.29Å; Y498-N500 WeakPolarHBondContact CE2-OD1 3.48Å
501A96.3Very high94.7Very high11 Ų1141.7 Ų41.79%0.09122%0.224CC..EExtended strand (participates in β ladder)trans-132158.9161.200000108.9L390 L394 S414 L415 F515L390-A501 HydrophobicContact CD1-CB 4.19Å; L390-A501 HydrophobicContact CD2-CB 4.14Å; L394-A501 HydrophobicContact CD1-CB 4.36Å; S414-A501 WeakPolarHBondContact CA-O 3.37Å; L415-A501 PolarHBondContact N-O 3.32Å; L415-A501 PolarHBondContact O-N 2.86Å; A501-F515 HydrophobicContact CB-CE1 3.86Å; A501-F515 HydrophobicContact CB-CZ 3.88Å
502A96.7Very high94.8Very high40 Ų4041.4 Ų41.433%0.33122%0.222SC..EExtended strand (participates in β ladder)trans-141.3151.9179.100000110.7I413I413-A502 HydrophobicContact CG2-CB 4.11Å; I413-A502 CarbonylContact O-C 3.4Å; I413-A502 WeakPolarHBondContact O-CA 3.29Å
503S96.4Very high95Very high0 Ų042.2 Ų42.20%022%0.222CC..  trans-111.389170171.70000109.5Q383 C386 F387 I413 Q507Q383-S503 WeakPolarHBondContact CG-O 3.46Å; Q383-S503 PolarHBondContact O-OG 3.33Å; C386-S503 WeakPolarHBondContact CB-OG 3.21Å; F387-S503 VanDerWaalsContact CA-CB 3.48Å; F387-S503 WeakPolarHBondContact CA-OG 3.48Å; F387-S503 PolarHBondContact N-OG 2.96Å; I413-S503 PolarHBondContact O-N 2.84Å; S503-Q507 VanDerWaalsContact CA-OE1 3.3Å
504S96.4Very high95.3Very high56 Ų5639.6 Ų39.639%0.39221%0.209SC..  trans-85.9164.2176.359.40000112.2Q507S504-Q507 WeakPolarHBondContact O-CB 3.24Å; S504-Q507 PolarHBondContact O-N 3.19Å
505I97.1Very high95.6Very high11 Ų1139.7 Ų39.76%0.05621%0.207CC..THydrogen-bonded Turntrans-57.6140.3176-161.8165.8000110.7Q286 M329 W376 L379 I380Q286-I505 HydrophobicContact CB-CB 4.05Å; Q286-I505 HydrophobicContact CB-CD1 4.15Å; Q286-I505 HydrophobicContact CB-CG2 4.27Å; M329-I505 HydrophobicContact CG-CG2 4.45Å; W376-I505 HydrophobicContact CE3-CD1 4Å; W376-I505 HydrophobicContact CH2-CD1 3.69Å; W376-I505 HydrophobicContact CZ3-CD1 3.27Å; L379-I505 HydrophobicContact CB-CD1 3.85Å; L379-I505 HydrophobicContact CB-CG1 3.88Å; L379-I505 HydrophobicContact CD1-CD1 4.19Å; L379-I505 HydrophobicContact CD1-CG1 4.34Å; I380-I505 HydrophobicContact CD1-CD1 4.23Å
506G96.5Very high96Very high23 Ų2337.3 Ų37.324%0.23719%0.194CC..THydrogen-bonded Turntrans91-16.8-177.600000115.3
507Q96Very high96.4Very high43 Ų4342.7 Ų42.720%0.20122%0.217CC..  trans-63.6141.7176.5-164.8175.242.800111.5C386 S503 S504 E511 I512C386-Q507 PolarHBondContact SG-O 3.05Å; C386-Q507 VanDerWaalsContact SG-O 3.41Å; S503-Q507 VanDerWaalsContact CA-OE1 3.3Å; S504-Q507 WeakPolarHBondContact O-CB 3.24Å; S504-Q507 PolarHBondContact O-N 3.19Å; Q507-E511 HydrophobicContact CG-CB 4.39Å; Q507-I512 HydrophobicContact CG-CG1 4.3Å
508K95.7Very high96.5Very high106 Ų10645.3 Ų45.346%0.46123%0.228SC..  trans-102.4149177.6-55.8178.4-170.41700110.3Y510 E511K508-Y510 VanDerWaalsContact C-N 3.31Å; K508-Y510 HydrophobicContact CB-CD1 3.86Å; K508-Y510 HydrophobicContact CB-CE1 3.68Å; K508-Y510 HydrophobicContact CD-CD1 4.24Å; K508-Y510 HydrophobicContact CD-CE1 3.29Å; K508-Y510 HydrophobicContact CG-CE1 4.14Å; K508-Y510 PolarHBondContact NZ-OH 2.88Å; K508-Y510 PolarHBondContact O-N 3.44Å; K508-E511 HydrophobicContact CB-CG 4.15Å; K508-E511 PolarHBondContact N-OE2 3.41Å; K508-E511 WeakPolarHBondContact O-CB 3.39Å; K508-E511 PolarHBondContact O-N 3.16Å
509Q96Very high96.5Very high84 Ų8445.2 Ų45.239%0.39323%0.228SC..Hα-helixtrans-59.5-38.2-176.3-67-177.959.600113.2I385 E511 I512 D513I385-Q509 HydrophobicContact CG2-CG 4.23Å; Q509-E511 VanDerWaalsContact C-N 3.26Å; Q509-E511 PolarHBondContact O-N 3.34Å; Q509-I512 WeakPolarHBondContact O-CB 3.22Å; Q509-I512 PolarHBondContact O-N 2.97Å; Q509-D513 PolarHBondContact O-N 3.48Å
510Y96.3Very high96.5Very high118 Ų11846.5 Ų46.546%0.46324%0.235SC..Hα-helixtrans-66.5-27.5178.875.7-101.8000112.6K508 I512 D513 I514K508-Y510 VanDerWaalsContact C-N 3.31Å; K508-Y510 HydrophobicContact CB-CD1 3.86Å; K508-Y510 HydrophobicContact CB-CE1 3.68Å; K508-Y510 HydrophobicContact CD-CD1 4.24Å; K508-Y510 HydrophobicContact CD-CE1 3.29Å; K508-Y510 HydrophobicContact CG-CE1 4.14Å; K508-Y510 PolarHBondContact NZ-OH 2.88Å; K508-Y510 PolarHBondContact O-N 3.44Å; Y510-I512 VanDerWaalsContact C-N 3.27Å; Y510-I512 PolarHBondContact O-N 2.94Å; Y510-D513 PolarHBondContact O-N 3.3Å; Y510-I514 HydrophobicContact CD2-CD1 3.77Å; Y510-I514 HydrophobicContact CE2-CD1 4.24Å; Y510-I514 WeakPolarHBondContact O-CG1 3.46Å; Y510-I514 PolarHBondContact O-N 3.15Å
511E96.7Very high96.5Very high75 Ų7552.2 Ų52.235%0.3526%0.259SS..Hα-helixtrans-66.8-35.3178.1-62.8176.4129.400110.5Q507 K508 Q509 F515Q507-E511 HydrophobicContact CG-CB 4.39Å; K508-E511 HydrophobicContact CB-CG 4.15Å; K508-E511 PolarHBondContact N-OE2 3.41Å; K508-E511 WeakPolarHBondContact O-CB 3.39Å; K508-E511 PolarHBondContact O-N 3.16Å; Q509-E511 VanDerWaalsContact C-N 3.26Å; Q509-E511 PolarHBondContact O-N 3.34Å; E511-F515 WeakPolarHBondContact O-CB 3.42Å; E511-F515 PolarHBondContact O-N 2.93Å
512I97Very high96.4Very high0 Ų051.9 Ų51.90%026%0.256CS..Hα-helixtrans-65.5-43.8173.9-59.7170000110C386 R389 L390 Q507 Q509 Y510 I514 F515 L516C386-I512 VanDerWaalsContact CA-CD1 3.43Å; C386-I512 HydrophobicContact CB-CD1 3.39Å; C386-I512 WeakPolarHBondContact O-CD1 3.36Å; R389-I512 HydrophobicContact CB-CD1 4.42Å; R389-I512 HydrophobicContact CG-CG2 4.24Å; L390-I512 HydrophobicContact CB-CD1 4.4Å; L390-I512 HydrophobicContact CB-CG2 3.95Å; L390-I512 HydrophobicContact CD1-CG2 4.11Å; Q507-I512 HydrophobicContact CG-CG1 4.3Å; Q509-I512 WeakPolarHBondContact O-CB 3.22Å; Q509-I512 PolarHBondContact O-N 2.97Å; Y510-I512 VanDerWaalsContact C-N 3.27Å; Y510-I512 PolarHBondContact O-N 2.94Å; I512-I514 PolarHBondContact O-N 2.94Å; I512-F515 PolarHBondContact O-N 3.28Å; I512-L516 HydrophobicContact CG2-CD1 3.79Å; I512-L516 HydrophobicContact CG2-CG 4.25Å; I512-L516 WeakPolarHBondContact O-CB 3.16Å; I512-L516 VanDerWaalsContact O-CG 3.23Å; I512-L516 WeakPolarHBondContact O-CG 3.37Å; I512-L516 PolarHBondContact O-N 3.25Å
513D96.9Very high96.2Very high61 Ų6150 Ų5033%0.32624%0.241SC..Hα-helixtrans-62.6-44178.2-64.4-32.1000112.3R389 Q509 Y510 L516 K517R389-D513 IonicContact CZ-OD1 3.39Å; R389-D513 IonicContact CZ-OD2 3.78Å; R389-D513 VanDerWaalsContact CZ-OD2 3.28Å; R389-D513 VanDerWaalsContact NE-CG 3.31Å; R389-D513 IonicContact NE-OD1 2.67Å; R389-D513 PolarHBondContact NE-OD1 3.35Å; R389-D513 IonicContact NE-OD2 2.73Å; R389-D513 PolarHBondContact NE-OD2 2.99Å; R389-D513 IonicContact NH2-OD1 3.38Å; R389-D513 PolarHBondContact NH2-OD1 3.5Å; R389-D513 IonicContact NH2-OD2 2.6Å; R389-D513 PolarHBondContact NH2-OD2 3.32Å; Q509-D513 PolarHBondContact O-N 3.48Å; Y510-D513 PolarHBondContact O-N 3.3Å; D513-L516 PolarHBondContact O-N 3.49Å; D513-K517 WeakPolarHBondContact O-CB 3.33Å; D513-K517 PolarHBondContact O-N 3.2Å
514I96.8Very high96.1Very high78 Ų7852.5 Ų52.540%0.425%0.253SS..Hα-helixtrans-61.9-45.2175.2-67.8172000110.3Y510 I512 K517 K518Y510-I514 HydrophobicContact CD2-CD1 3.77Å; Y510-I514 HydrophobicContact CE2-CD1 4.24Å; Y510-I514 WeakPolarHBondContact O-CG1 3.46Å; Y510-I514 PolarHBondContact O-N 3.15Å; I512-I514 PolarHBondContact O-N 2.94Å; I514-K517 PolarHBondContact O-N 3.29Å; I514-K518 HydrophobicContact CG2-CD 4Å; I514-K518 WeakPolarHBondContact O-CG 3.38Å; I514-K518 PolarHBondContact O-N 3.43Å
515F97.3Very high95.8Very high20 Ų2055.6 Ų55.69%0.08826%0.261CS..Hα-helixtrans-59.3-50.3177164-111.5000111.6L390 L394 V465 A501 E511 I512 K517 K518 L519L390-F515 HydrophobicContact CD1-CD1 3.88Å; L390-F515 HydrophobicContact CD1-CE1 3.74Å; L394-F515 HydrophobicContact CD2-CE1 4.25Å; V465-F515 HydrophobicContact CG2-CD2 4.14Å; V465-F515 HydrophobicContact CG2-CE2 3.52Å; V465-F515 HydrophobicContact CG2-CZ 4.27Å; A501-F515 HydrophobicContact CB-CE1 3.86Å; A501-F515 HydrophobicContact CB-CZ 3.88Å; E511-F515 WeakPolarHBondContact O-CB 3.42Å; E511-F515 PolarHBondContact O-N 2.93Å; I512-F515 PolarHBondContact O-N 3.28Å; F515-K517 VanDerWaalsContact C-N 3.34Å; F515-K517 PolarHBondContact O-N 2.96Å; F515-K518 PolarHBondContact O-N 3.23Å; F515-L519 HydrophobicContact CE1-CD2 4.21Å; F515-L519 HydrophobicContact CE2-CB 4.3Å; F515-L519 HydrophobicContact CE2-CD2 4.37Å; F515-L519 HydrophobicContact CZ-CB 4.44Å; F515-L519 HydrophobicContact CZ-CD2 3.76Å; F515-L519 WeakPolarHBondContact O-CB 3.5Å; F515-L519 PolarHBondContact O-N 2.87Å
516L97.3Very high95.5Very high20 Ų2055.6 Ų55.611%0.10526%0.26CS..Hα-helixtrans-60.4-42.5179.8-69.4167.4000111.5L394 L397 I512 D513 K518 L519 D520L394-L516 HydrophobicContact CD2-CD2 4.04Å; L394-L516 HydrophobicContact CG-CD2 4.22Å; L397-L516 HydrophobicContact CD1-CB 4.43Å; L397-L516 HydrophobicContact CD1-CD2 3.71Å; I512-L516 HydrophobicContact CG2-CD1 3.79Å; I512-L516 HydrophobicContact CG2-CG 4.25Å; I512-L516 WeakPolarHBondContact O-CB 3.16Å; I512-L516 VanDerWaalsContact O-CG 3.23Å; I512-L516 WeakPolarHBondContact O-CG 3.37Å; I512-L516 PolarHBondContact O-N 3.25Å; D513-L516 PolarHBondContact O-N 3.49Å; L516-K518 PolarHBondContact O-N 3.48Å; L516-L519 PolarHBondContact O-N 3.46Å; L516-D520 WeakPolarHBondContact O-CB 3.48Å; L516-D520 PolarHBondContact O-N 3.22Å
517K96.9Very high95Very high141 Ų14155.7 Ų55.761%0.61325%0.254SS*.Hα-helixtrans-62.7-39.9175.8-176.3177.3-178.9176.80112.6D513 I514 F515 K521D513-K517 WeakPolarHBondContact O-CB 3.33Å; D513-K517 PolarHBondContact O-N 3.2Å; I514-K517 PolarHBondContact O-N 3.29Å; F515-K517 VanDerWaalsContact C-N 3.34Å; F515-K517 PolarHBondContact O-N 2.96Å; K517-K521 WeakPolarHBondContact O-CG 3.15Å; K517-K521 PolarHBondContact O-N 2.83Å
518K96.8Very high94.5Very high55 Ų5556 Ų5624%0.23926%0.261CS..Hα-helixtrans-70.6-42.9176.8-73.3173.7176.6174.80111.3L457 Q460 C462 I514 F515 L516 D520 K521 V522L457-K518 HydrophobicContact CD2-CB 4.08Å; Q460-K518 HydrophobicContact CB-CD 4.13Å; Q460-K518 WeakPolarHBondContact O-CE 3.3Å; Q460-K518 PolarHBondContact O-NZ 2.87Å; C462-K518 WeakPolarHBondContact SG-CD 3.39Å; I514-K518 HydrophobicContact CG2-CD 4Å; I514-K518 WeakPolarHBondContact O-CG 3.38Å; I514-K518 PolarHBondContact O-N 3.43Å; F515-K518 PolarHBondContact O-N 3.23Å; L516-K518 PolarHBondContact O-N 3.48Å; K518-D520 VanDerWaalsContact C-N 3.34Å; K518-D520 PolarHBondContact O-N 2.94Å; K518-K521 PolarHBondContact O-N 2.92Å; K518-V522 VanDerWaalsContact O-CG2 3.32Å; K518-V522 WeakPolarHBondContact O-CG2 3.38Å; K518-V522 PolarHBondContact O-N 3.19Å
519L96.4Very high94Very high1 Ų153.9 Ų53.91%0.00525%0.25CS..Hα-helixtrans-60.1-44.2176.2-178.261.9000111.5L394 L397 L417 L457 I499 F515 L516 K521 V522 I523L394-L519 HydrophobicContact CD2-CD2 3.73Å; L397-L519 HydrophobicContact CD1-CB 4.26Å; L397-L519 HydrophobicContact CD1-CD2 3.78Å; L397-L519 HydrophobicContact CD1-CG 4.08Å; L417-L519 HydrophobicContact CD2-CD2 4.49Å; L457-L519 HydrophobicContact CD1-CD1 3.91Å; I499-L519 HydrophobicContact CD1-CD1 3.73Å; F515-L519 HydrophobicContact CE1-CD2 4.21Å; F515-L519 HydrophobicContact CE2-CB 4.3Å; F515-L519 HydrophobicContact CE2-CD2 4.37Å; F515-L519 HydrophobicContact CZ-CB 4.44Å; F515-L519 HydrophobicContact CZ-CD2 3.76Å; F515-L519 WeakPolarHBondContact O-CB 3.5Å; F515-L519 PolarHBondContact O-N 2.87Å; L516-L519 PolarHBondContact O-N 3.46Å; L519-K521 PolarHBondContact O-N 3.24Å; L519-V522 PolarHBondContact O-N 2.81Å; L519-I523 HydrophobicContact CD1-CD1 3.78Å; L519-I523 HydrophobicContact CD1-CG1 3.99Å; L519-I523 HydrophobicContact CD2-CD1 4.4Å; L519-I523 HydrophobicContact CG-CD1 3.74Å; L519-I523 HydrophobicContact CG-CG1 4.33Å; L519-I523 WeakPolarHBondContact O-CG1 3.38Å; L519-I523 PolarHBondContact O-N 3.49Å
520D96.2Very high93.2Very high31 Ų3150 Ų5017%0.16623%0.232CC..Hα-helixtrans-51.8-53.7174.5-17363.8000112.1L397 K400 F401 L516 K518 V522 I523 Q524L397-D520 HydrophobicContact CD2-CB 3.68Å; L397-D520 VanDerWaalsContact CD2-OD1 3.26Å; L397-D520 WeakPolarHBondContact CD2-OD1 3.33Å; K400-D520 WeakPolarHBondContact CD-OD1 3.5Å; K400-D520 VanDerWaalsContact CE-OD1 3.31Å; K400-D520 WeakPolarHBondContact CE-OD1 3.38Å; K400-D520 IonicContact NZ-OD1 2.75Å; K400-D520 PolarHBondContact NZ-OD1 3.32Å; K400-D520 IonicContact NZ-OD2 3.67Å; K400-D520 PolarHBondContact NZ-OD2 3.34Å; F401-D520 WeakPolarHBondContact CE2-OD1 2.98Å; F401-D520 WeakPolarHBondContact CZ-O 3.31Å; F401-D520 VanDerWaalsContact CZ-OD1 3.3Å; F401-D520 WeakPolarHBondContact CZ-OD1 3.49Å; L516-D520 WeakPolarHBondContact O-CB 3.48Å; L516-D520 PolarHBondContact O-N 3.22Å; K518-D520 VanDerWaalsContact C-N 3.34Å; K518-D520 PolarHBondContact O-N 2.94Å; D520-V522 PolarHBondContact O-N 2.92Å; D520-I523 PolarHBondContact O-N 3.04Å; D520-Q524 WeakPolarHBondContact O-CB 3.31Å; D520-Q524 PolarHBondContact O-N 3.14Å
521K95.4Very high92.3Very high122 Ų12246.2 Ų46.253%0.5322%0.22SC..Hα-helixtrans-62.9-40.9179.4-68.8-175-179.9-167.60112.6K517 K518 L519 Q524 H525K517-K521 WeakPolarHBondContact O-CG 3.15Å; K517-K521 PolarHBondContact O-N 2.83Å; K518-K521 PolarHBondContact O-N 2.92Å; L519-K521 PolarHBondContact O-N 3.24Å; K521-Q524 PolarHBondContact O-N 3.43Å; K521-H525 WeakPolarHBondContact O-CB 3.24Å; K521-H525 PolarHBondContact O-N 3.42Å
522V94.3Very high91.6Very high5 Ų549.1 Ų49.13%0.0324%0.237CC..Hα-helixtrans-68.9-41.7-178.9173.90000111.2I453 N456 L457 K518 L519 D520 H525 F526I453-V522 HydrophobicContact CB-CG1 4.08Å; I453-V522 HydrophobicContact CG1-CG1 4.13Å; I453-V522 HydrophobicContact CG2-CG1 3.77Å; N456-V522 HydrophobicContact CB-CG1 4.06Å; N456-V522 HydrophobicContact CB-CG2 4.14Å; L457-V522 HydrophobicContact CD2-CG2 4.13Å; L457-V522 HydrophobicContact CG-CG2 4.34Å; K518-V522 VanDerWaalsContact O-CG2 3.32Å; K518-V522 WeakPolarHBondContact O-CG2 3.38Å; K518-V522 PolarHBondContact O-N 3.19Å; L519-V522 PolarHBondContact O-N 2.81Å; D520-V522 PolarHBondContact O-N 2.92Å; V522-H525 PolarHBondContact O-N 2.85Å; V522-F526 WeakPolarHBondContact O-CB 3.31Å; V522-F526 PolarHBondContact O-N 2.92Å
523I93Very high90.7Very high0 Ų053.9 Ų53.90%026%0.258CS..Hα-helixtrans-64-45175.2-67.3171.4000110.2F401 L403 L417 L422 L519 D520 H525 F526 Q527F401-I523 HydrophobicContact CB-CG2 4.03Å; F401-I523 HydrophobicContact CD1-CG2 3.68Å; F401-I523 HydrophobicContact CD2-CB 4.18Å; F401-I523 HydrophobicContact CD2-CD1 4.32Å; F401-I523 HydrophobicContact CD2-CG2 3.65Å; F401-I523 HydrophobicContact CE1-CG2 3.96Å; F401-I523 HydrophobicContact CE2-CB 4.03Å; F401-I523 HydrophobicContact CE2-CG2 3.94Å; F401-I523 HydrophobicContact CG-CB 4.48Å; F401-I523 HydrophobicContact CG-CG2 3.51Å; F401-I523 HydrophobicContact CZ-CB 4.2Å; F401-I523 HydrophobicContact CZ-CG2 4.09Å; L403-I523 HydrophobicContact CD1-CD1 4.02Å; L403-I523 HydrophobicContact CD1-CG2 4.49Å; L417-I523 HydrophobicContact CD2-CD1 4.45Å; L422-I523 HydrophobicContact CD1-CG2 4.22Å; L422-I523 HydrophobicContact CD2-CG2 4.01Å; L519-I523 HydrophobicContact CD1-CD1 3.78Å; L519-I523 HydrophobicContact CD1-CG1 3.99Å; L519-I523 HydrophobicContact CD2-CD1 4.4Å; L519-I523 HydrophobicContact CG-CD1 3.74Å; L519-I523 HydrophobicContact CG-CG1 4.33Å; L519-I523 WeakPolarHBondContact O-CG1 3.38Å; L519-I523 PolarHBondContact O-N 3.49Å; D520-I523 PolarHBondContact O-N 3.04Å; I523-H525 PolarHBondContact O-N 3.48Å; I523-F526 WeakPolarHBondContact O-CB 3.18Å; I523-F526 PolarHBondContact O-N 2.89Å; I523-Q527 PolarHBondContact O-N 3.3Å
524Q92.9Very high89.4Confident53 Ų5352.6 Ų52.625%0.24825%0.25CC..Hα-helixtrans-58.5-46.5176.7-174.7172.442.600111.9F401 D520 K521 F526 Q527 C528 M544F401-Q524 HydrophobicContact CE1-CB 3.95Å; F401-Q524 HydrophobicContact CZ-CB 3.98Å; D520-Q524 WeakPolarHBondContact O-CB 3.31Å; D520-Q524 PolarHBondContact O-N 3.14Å; K521-Q524 PolarHBondContact O-N 3.43Å; Q524-F526 VanDerWaalsContact C-N 3.35Å; Q524-F526 PolarHBondContact O-N 2.87Å; Q524-Q527 PolarHBondContact O-N 3.05Å; Q524-C528 PolarHBondContact O-N 2.81Å; Q524-C528 PolarHBondContact O-SG 3.17Å; Q524-C528 VanDerWaalsContact O-SG 3.36Å; Q524-M544 HydrophobicContact CG-CE 4.12Å
525H91Very high87.6Confident121 Ų12156.1 Ų56.156%0.5627%0.27SS*.Hα-helixtrans-61.1-43176.4-177.177.7000112.1K521 V522 I523 C528 Y529K521-H525 WeakPolarHBondContact O-CB 3.24Å; K521-H525 PolarHBondContact O-N 3.42Å; V522-H525 PolarHBondContact O-N 2.85Å; I523-H525 PolarHBondContact O-N 3.48Å; H525-C528 PolarHBondContact O-N 3.33Å; H525-Y529 WeakPolarHBondContact O-CB 3.47Å; H525-Y529 PolarHBondContact O-N 3.1Å
526F90.3Very high85.8Confident11 Ų1157 Ų575%0.04828%0.275CS..Hα-helixtrans-60.4-45.9175.7-179.1-89.4000111.8L422 H449 L450 I453 V522 I523 Q524 Y529 I530L422-F526 HydrophobicContact CB-CD1 4.11Å; L422-F526 HydrophobicContact CB-CE1 3.75Å; L422-F526 HydrophobicContact CD1-CD1 4Å; L422-F526 HydrophobicContact CD1-CE1 4.31Å; L422-F526 HydrophobicContact CG-CD1 4.5Å; H449-F526 VanDerWaalsContact C-CE2 3.45Å; H449-F526 HydrophobicContact CB-CD2 4.34Å; H449-F526 HydrophobicContact CB-CE2 3.69Å; L450-F526 HydrophobicContact CB-CE2 4.33Å; L450-F526 HydrophobicContact CB-CZ 4.32Å; L450-F526 HydrophobicContact CD1-CE1 3.94Å; L450-F526 HydrophobicContact CD1-CE2 4.11Å; L450-F526 HydrophobicContact CD1-CZ 3.65Å; I453-F526 HydrophobicContact CD1-CB 4.23Å; I453-F526 HydrophobicContact CD1-CD1 4.42Å; I453-F526 HydrophobicContact CD1-CD2 4.09Å; I453-F526 HydrophobicContact CD1-CG 3.97Å; I453-F526 HydrophobicContact CG1-CB 4.31Å; I453-F526 HydrophobicContact CG1-CD2 4.08Å; I453-F526 HydrophobicContact CG1-CG 4.28Å; V522-F526 WeakPolarHBondContact O-CB 3.31Å; V522-F526 PolarHBondContact O-N 2.92Å; I523-F526 WeakPolarHBondContact O-CB 3.18Å; I523-F526 PolarHBondContact O-N 2.89Å; Q524-F526 VanDerWaalsContact C-N 3.35Å; Q524-F526 PolarHBondContact O-N 2.87Å; F526-Y529 WeakPolarHBondContact O-CB 3.27Å; F526-Y529 PolarHBondContact O-N 2.96Å; F526-I530 HydrophobicContact CD1-CG1 3.98Å; F526-I530 HydrophobicContact CE1-CD1 4.19Å; F526-I530 HydrophobicContact CE1-CG1 3.45Å; F526-I530 VanDerWaalsContact CE1-CG1 3.45Å; F526-I530 HydrophobicContact CE2-CD1 4.2Å; F526-I530 HydrophobicContact CE2-CG1 4.14Å; F526-I530 HydrophobicContact CZ-CD1 3.77Å; F526-I530 HydrophobicContact CZ-CG1 3.56Å; F526-I530 WeakPolarHBondContact O-CG1 3.45Å; F526-I530 PolarHBondContact O-N 3.11Å
527Q85.7Confident83.7Confident24 Ų2462.8 Ų62.811%0.11231%0.306CS..Hα-helixtrans-59.7-47.8176.3-75.3-172.5-24.700111.8F401 L422 I523 Q524 Y529 I530 I531F401-Q527 VanDerWaalsContact CD1-OE1 3.26Å; L422-Q527 HydrophobicContact CD2-CG 3.67Å; I523-Q527 PolarHBondContact O-N 3.3Å; Q524-Q527 PolarHBondContact O-N 3.05Å; Q527-Y529 VanDerWaalsContact C-N 3.28Å; Q527-Y529 PolarHBondContact O-N 3.23Å; Q527-I530 PolarHBondContact O-N 2.97Å; Q527-I531 WeakPolarHBondContact O-CB 3.22Å; Q527-I531 WeakPolarHBondContact O-CD1 3.34Å; Q527-I531 VanDerWaalsContact O-CG1 3.23Å; Q527-I531 WeakPolarHBondContact O-CG1 3.39Å; Q527-I531 PolarHBondContact O-N 3.45Å
528C86.1Confident81.5Confident51 Ų5157.1 Ų57.135%0.34528%0.283SS..Hα-helixtrans-57.4-42.5176.2-69.20000111.8Q524 H525 N532Q524-C528 PolarHBondContact O-N 2.81Å; Q524-C528 PolarHBondContact O-SG 3.17Å; Q524-C528 VanDerWaalsContact O-SG 3.36Å; H525-C528 PolarHBondContact O-N 3.33Å; C528-N532 VanDerWaalsContact O-CB 3.32Å; C528-N532 WeakPolarHBondContact O-CB 3.25Å; C528-N532 PolarHBondContact O-N 2.69Å; C528-N532 PolarHBondContact O-ND2 2.87Å
529Y84.9Confident79.3Confident61 Ų6158.3 Ų58.324%0.23929%0.291CS..Hα-helixtrans-61.8-48.9177.1176.9-100.6000112.4H449 H525 F526 Q527 N532 K533H449-Y529 HydrophobicContact CB-CE1 4.21Å; H449-Y529 AromaticContact CD2-CD1 3.99Å; H449-Y529 AromaticContact CD2-CE1 3.22Å; H449-Y529 WeakPolarHBondContact CD2-CE1 3.4Å; H449-Y529 AromaticContact CD2-CZ 3.5Å; H449-Y529 VanDerWaalsContact CD2-CZ 3.5Å; H449-Y529 PolarHBondContact CD2-OH 2.93Å; H449-Y529 AromaticContact CE1-CE1 3.82Å; H449-Y529 AromaticContact CE1-CZ 3.81Å; H449-Y529 PolarHBondContact CE1-OH 2.9Å; H449-Y529 AromaticContact CG-CE1 3.47Å; H449-Y529 VanDerWaalsContact CG-CE1 3.47Å; H449-Y529 AromaticContact ND1-CE1 3.81Å; H449-Y529 AromaticContact NE2-CE1 3.47Å; H449-Y529 WeakPolarHBondContact NE2-CE1 3.48Å; H449-Y529 AromaticContact NE2-CZ 3.27Å; H449-Y529 VanDerWaalsContact NE2-CZ 3.27Å; H449-Y529 PolarHBondContact NE2-OH 2.82Å; H525-Y529 WeakPolarHBondContact O-CB 3.47Å; H525-Y529 PolarHBondContact O-N 3.1Å; F526-Y529 WeakPolarHBondContact O-CB 3.27Å; F526-Y529 PolarHBondContact O-N 2.96Å; Q527-Y529 VanDerWaalsContact C-N 3.28Å; Q527-Y529 PolarHBondContact O-N 3.23Å; Y529-N532 PolarHBondContact O-N 3.49Å; Y529-K533 HydrophobicContact CE1-CD 3.97Å; Y529-K533 HydrophobicContact CE2-CD 3.96Å; Y529-K533 VanDerWaalsContact CZ-CD 3.41Å; Y529-K533 VanDerWaalsContact O-CB 3.27Å; Y529-K533 WeakPolarHBondContact O-CB 3.37Å; Y529-K533 PolarHBondContact O-N 3.38Å; Y529-K533 WeakPolarHBondContact OH-CD 3.37Å; Y529-K533 PolarHBondContact OH-NZ 2.94Å
530I79.9Confident76.9Confident1 Ų164.6 Ų64.61%0.00533%0.325CS..Hα-helixtrans-64.4-42.7-179.7-65.9-60.2000111.4I446 F526 Q527 F534I446-I530 HydrophobicContact CG1-CD1 4.39Å; I446-I530 HydrophobicContact CG2-CD1 4.43Å; F526-I530 HydrophobicContact CD1-CG1 3.98Å; F526-I530 HydrophobicContact CE1-CD1 4.19Å; F526-I530 HydrophobicContact CE1-CG1 3.45Å; F526-I530 VanDerWaalsContact CE1-CG1 3.45Å; F526-I530 HydrophobicContact CE2-CD1 4.2Å; F526-I530 HydrophobicContact CE2-CG1 4.14Å; F526-I530 HydrophobicContact CZ-CD1 3.77Å; F526-I530 HydrophobicContact CZ-CG1 3.56Å; F526-I530 WeakPolarHBondContact O-CG1 3.45Å; F526-I530 PolarHBondContact O-N 3.11Å; Q527-I530 PolarHBondContact O-N 2.97Å; I530-F534 HydrophobicContact CD1-CD2 3.87Å; I530-F534 HydrophobicContact CD1-CE2 3.68Å; I530-F534 HydrophobicContact CG2-CD2 4.19Å; I530-F534 PolarHBondContact O-N 3.42Å
531I77.4Confident74.6Confident40 Ų4067.3 Ų67.321%0.20534%0.343CS..Hα-helixtrans-58.3-52.1176.4-69.7165.2000109.9Q527 K533 N535 V538 T541Q527-I531 WeakPolarHBondContact O-CB 3.22Å; Q527-I531 WeakPolarHBondContact O-CD1 3.34Å; Q527-I531 VanDerWaalsContact O-CG1 3.23Å; Q527-I531 WeakPolarHBondContact O-CG1 3.39Å; Q527-I531 PolarHBondContact O-N 3.45Å; I531-K533 PolarHBondContact O-N 3.44Å; I531-N535 WeakPolarHBondContact O-CA 3.27Å; I531-N535 PolarHBondContact O-N 2.94Å; I531-N535 VanDerWaalsContact O-N 3.09Å; I531-V538 HydrophobicContact CD1-CB 4.27Å; I531-V538 HydrophobicContact CD1-CG2 4.04Å; I531-V538 HydrophobicContact CG1-CB 4.18Å; I531-V538 HydrophobicContact CG1-CG2 3.49Å; I531-V538 VanDerWaalsContact CG1-CG2 3.49Å; I531-T541 HydrophobicContact CD1-CG2 4.15Å
532N81Confident72.1Confident135 Ų13565.5 Ų65.572%0.72234%0.341SS*.Hα-helixtrans-67.4-37.3-175.8-70.1-19.1000112.9C528 Y529C528-N532 VanDerWaalsContact O-CB 3.32Å; C528-N532 WeakPolarHBondContact O-CB 3.25Å; C528-N532 PolarHBondContact O-N 2.69Å; C528-N532 PolarHBondContact O-ND2 2.87Å; Y529-N532 PolarHBondContact O-N 3.49Å
533K78.3Confident69.4Low101 Ų10171.1 Ų71.144%0.43938%0.376SS..Hα-helixtrans-84.5-41-173.5-171164.9-165.3168.10113.9E445 Y529 I531E445-K533 WeakPolarHBondContact OE1-CE 3.28Å; E445-K533 IonicContact OE1-NZ 2.61Å; E445-K533 PolarHBondContact OE1-NZ 2.87Å; Y529-K533 HydrophobicContact CE1-CD 3.97Å; Y529-K533 HydrophobicContact CE2-CD 3.96Å; Y529-K533 VanDerWaalsContact CZ-CD 3.41Å; Y529-K533 VanDerWaalsContact O-CB 3.27Å; Y529-K533 WeakPolarHBondContact O-CB 3.37Å; Y529-K533 PolarHBondContact O-N 3.38Å; Y529-K533 WeakPolarHBondContact OH-CD 3.37Å; Y529-K533 PolarHBondContact OH-NZ 2.94Å; I531-K533 PolarHBondContact O-N 3.44Å
534F69.1Low66.7Low34 Ų3477 Ų7715%0.14941%0.405CS..Hα-helixtrans-101.6-5-173.8-63.2-78.5000113.1Q442 E445 I446 I530 I536Q442-F534 HydrophobicContact CB-CE1 4.37Å; Q442-F534 HydrophobicContact CG-CE1 4.44Å; E445-F534 HydrophobicContact CG-CZ 4.41Å; I446-F534 HydrophobicContact CD1-CD1 4.48Å; I446-F534 HydrophobicContact CD1-CE1 4.18Å; I446-F534 HydrophobicContact CD1-CE2 4.31Å; I446-F534 HydrophobicContact CD1-CZ 4.1Å; I446-F534 HydrophobicContact CG1-CD2 4.28Å; I446-F534 HydrophobicContact CG1-CE1 4.08Å; I446-F534 HydrophobicContact CG1-CE2 3.61Å; I446-F534 HydrophobicContact CG1-CZ 3.5Å; I446-F534 VanDerWaalsContact CG1-CZ 3.5Å; I530-F534 HydrophobicContact CD1-CD2 3.87Å; I530-F534 HydrophobicContact CD1-CE2 3.68Å; I530-F534 HydrophobicContact CG2-CD2 4.19Å; I530-F534 PolarHBondContact O-N 3.42Å; F534-I536 VanDerWaalsContact C-N 3.26Å; F534-I536 HydrophobicContact CB-CD1 3.38Å; F534-I536 HydrophobicContact CB-CG1 3.79Å; F534-I536 HydrophobicContact CG-CD1 4.28Å; F534-I536 WeakPolarHBondContact O-CG1 3.37Å; F534-I536 PolarHBondContact O-N 3.28Å
535N60.6Low63.7Low152 Ų15280.5 Ų80.581%0.81343%0.43SS*.  trans5542.5-177.5-157.423.4000112.2I531I531-N535 WeakPolarHBondContact O-CA 3.27Å; I531-N535 PolarHBondContact O-N 2.94Å; I531-N535 VanDerWaalsContact O-N 3.09Å
536I58.7Low60.8Low38 Ų3880.6 Ų80.620%0.19544%0.439CS..  trans-106.7119.4-176.3-64166.3000108.2P424 F534 V538P424-I536 HydrophobicContact CB-CD1 3.53Å; P424-I536 HydrophobicContact CG-CD1 3.35Å; F534-I536 VanDerWaalsContact C-N 3.26Å; F534-I536 HydrophobicContact CB-CD1 3.38Å; F534-I536 HydrophobicContact CB-CG1 3.79Å; F534-I536 HydrophobicContact CG-CD1 4.28Å; F534-I536 WeakPolarHBondContact O-CG1 3.37Å; F534-I536 PolarHBondContact O-N 3.28Å; I536-V538 VanDerWaalsContact C-N 3.32Å; I536-V538 PolarHBondContact O-N 2.61Å
537N52.2Low57.9Low141 Ų14186.3 Ų86.375%0.75448%0.475SS*.  trans-6294.4166-79.8-28.6000109.1
538V52.6Low55.2Low22 Ų2292.9 Ų92.913%0.13351%0.511CS..  trans-64.8131.5165.3-173.20000106.6I531 I536 N540I531-V538 HydrophobicContact CD1-CB 4.27Å; I531-V538 HydrophobicContact CD1-CG2 4.04Å; I531-V538 HydrophobicContact CG1-CB 4.18Å; I531-V538 HydrophobicContact CG1-CG2 3.49Å; I531-V538 VanDerWaalsContact CG1-CG2 3.49Å; I536-V538 VanDerWaalsContact C-N 3.32Å; I536-V538 PolarHBondContact O-N 2.61Å; V538-N540 PolarHBondContact O-N 3.26Å
539I49.2Very low52.5Low80 Ų8093.3 Ų93.341%0.4152%0.524SS..SBendtrans-57.5116.6-179-58.5174.6000107.9K425K425-I539 HydrophobicContact CD-CD1 4.49Å; K425-I539 HydrophobicContact CD-CG1 4.39Å; K425-I539 VanDerWaalsContact CE-CD1 3.44Å
540N47.2Very low49.8Very low134 Ų13496.7 Ų96.772%0.71755%0.551SS**  trans65.478.3175.5-56.3-18.8000114.7V538 V542V538-N540 PolarHBondContact O-N 3.26Å; N540-V542 PolarHBondContact O-N 3.02Å
541T46Very low47.5Very low88 Ų88102.8 Ų102.854%0.5459%0.588SS.*  trans-66.1119.9162-36.20000108.7I531 T543I531-T541 HydrophobicContact CD1-CG2 4.15Å; T541-T543 PolarHBondContact O-N 3.46Å; T541-T543 VanDerWaalsContact O-N 3.11Å
542V44.2Very low45.1Very low83 Ų83106.5 Ų106.550%0.50362%0.618SS.*  trans-58.4116.2162.6177.30000106.6N540 M544N540-V542 PolarHBondContact O-N 3.02Å; V542-M544 PolarHBondContact O-N 3.48Å
543T36.2Very low42.8Very low123 Ų123104.8 Ų104.876%0.75562%0.622SS**  trans-56.4110.7175.524.10000109.2T541 T545T541-T543 PolarHBondContact O-N 3.46Å; T541-T543 VanDerWaalsContact O-N 3.11Å; T543-T545 PolarHBondContact O-N 3.19Å; T543-T545 VanDerWaalsContact O-N 3.13Å
544M38Very low40.5Very low124 Ų124105.9 Ų105.961%0.61164%0.637SS**  trans-69.7100.9163.3-75.5-75.8-159.400107.4Q524 V542 T546Q524-M544 HydrophobicContact CG-CE 4.12Å; V542-M544 PolarHBondContact O-N 3.48Å; M544-T546 PolarHBondContact O-N 3.44Å; M544-T546 VanDerWaalsContact O-N 3.12Å
545T29.5Very low38.8Very low127 Ų127110.9 Ų110.978%0.77967%0.666SS**  trans-68.8103162.819.10000108.3T543 V547T543-T545 PolarHBondContact O-N 3.19Å; T543-T545 VanDerWaalsContact O-N 3.13Å; T545-V547 PolarHBondContact O-N 3.03Å
546T30.4Very low37.5Very low123 Ų123110.5 Ų110.576%0.75566%0.663SS**  trans-61.4108.916041.70000108.6M544 N548M544-T546 PolarHBondContact O-N 3.44Å; M544-T546 VanDerWaalsContact O-N 3.12Å; T546-N548 PolarHBondContact O-N 3.18Å
547V29Very low36.5Very low130 Ų130115.2 Ų115.279%0.78869%0.689SS**  trans-8196.1167.5-177.80000107.4T545T545-V547 PolarHBondContact O-N 3.03Å
548N27.9Very low35.7Very low162 Ų162115.5 Ų115.587%0.86669%0.691SS**  trans-125.2110.4162-84.8-18.6000106.9T546T546-N548 PolarHBondContact O-N 3.18Å
549G30.8Very low35Very low60 Ų60120.9 Ų120.962%0.61972%0.719SS**  trans157.180.2-176.900000110.5
550V28.4Very low34.4Very low133 Ų133123.9 Ų123.981%0.80674%0.736SS**  70.5100.999.7177.10000112.3
551T30.2Very low33.6Very low129 Ų129120.9 Ų120.979%0.79174%0.737SS**  166.4135.5110.141.70000111
552S27.4Very low33.2Very low118 Ų118123.4 Ų123.483%0.82575%0.751SS**  trans-48.7135.4166.349.90000114.9
553A32.6Very low32.6Very low99 Ų99126.1 Ų126.182%0.81876%0.763SS**  trans-152.6126.7143.600000108.2
554T29.7Very low32.6Very low123 Ų123128.1 Ų128.176%0.75577%0.769SS**  trans-63.7166169.845.80000111.7
555D34.2Very low32.3Very low140 Ų140128.6 Ų128.675%0.74977%0.774SS**  trans138.387157.5-66.8-4000106.4
556D34.1Very low32.6Very low143 Ų143130.8 Ų130.877%0.76578%0.781SS**  66.2120.886.4-74.5-14.7000112.9
557D36.1Very low32.7Very low137 Ų137132 Ų13273%0.73378%0.783SS**  trans128.1107.8147.8-62.7-18.1000114.9
558D35.9Very low33Very low147 Ų147133.8 Ų133.879%0.78679%0.788SS**  65.3140.8128.1-57.7-13.1000119.7
559D37.4Very low33.2Very low136 Ų136132.7 Ų132.773%0.72778%0.782SS**  cis-175.7171.3-8.7-165.92.2000104.3
560D37.6Very low33.2Very low142 Ų142137.2 Ų137.276%0.75979%0.792SS**  trans85.591.9160.9-57.5-31.7000119
561G30.8Very low33.3Very low72 Ų72136.8 Ų136.874%0.74279%0.79SS**  trans-82.1168.3159.300000114
562V35.9Very low33.4Very low140 Ų140137.9 Ų137.985%0.84879%0.79SS**  trans-146.5109.5151.2176.80000106.5
563D31.9Very low33.6Very low141 Ų141136.9 Ų136.975%0.75478%0.783SS**  trans-66.3146.1161.6-65.7-48.4000110
564D35.9Very low33.3Very low165 Ų165142.1 Ų142.188%0.88279%0.787SS**  trans-154.9110.8142.1-97-27.9000108.2
565D33.5Very low33.3Very low134 Ų134145.4 Ų145.472%0.71779%0.794SS**  trans-62.4146.4171.2-64.3-52.9000111.4
566D35.8Very low32.9Very low172 Ų172144.7 Ų144.792%0.9280%0.8SS**  trans-160.497.7141.2-97.7-26.3000108.3
567D32Very low32.6Very low149 Ų149146 Ų14680%0.79781%0.806SS**  trans-62.7132.4162.4-79.7-43.5000109.9
568D34.2Very low32.1Very low167 Ų167148.9 Ų148.989%0.89381%0.812SS**  trans-148.3107.7146.3-125-11.7000110.3
569D33Very low31.7Very low139 Ų139149.5 Ų149.574%0.74382%0.815SS**  trans-55.6130.8172.2-83.6-49.1000111.7
570N31.3Very low31.2Very low155 Ų155149.7 Ų149.783%0.82982%0.816SS**  trans-147.598.8144.8-126.4-31.9000112.3L572N570-L572 PolarHBondContact O-N 3.02Å
571V29.9Very low30.5Very low125 Ų125149.5 Ų149.576%0.75882%0.82SS**  trans-70.2109.5167.8173.90000109.1
572L31.3Very low30.3Very low152 Ų152154 Ų15480%0.79682%0.821SS**  trans-134.396157-90.3169.6000110.9N570N570-L572 PolarHBondContact O-N 3.02Å
573S31.6Very low29.7Very low96 Ų96151.7 Ų151.767%0.67181%0.811SS**  trans42113.3139.359.50000119.4E575S573-E575 PolarHBondContact O-N 3.05Å
574K27.6Very low29.4Very low209 Ų209149.6 Ų149.691%0.90980%0.804SS**  trans-51113.4150.5-70.8171.3174172.60110.6
575E28.3Very low29Very low193 Ų193146.6 Ų146.690%0.90279%0.787SS**  trans173.483145.5-100.7177.6-178.900110.1S573S573-E575 PolarHBondContact O-N 3.05Å
576S27.4Very low28.7Very low124 Ų124148.5 Ų148.587%0.86779%0.794SS**  trans-156.956.5161.251.70000110.8
577L26.7Very low28.4Very low172 Ų172147.4 Ų147.490%0.90179%0.787SS**  trans-86.9127.6161.9-100136.6000108.6
578K26.2Very low28.2Very low196 Ų196147.3 Ų147.385%0.85279%0.787SS**  trans97.781.9177.3-58.8176.7178.5177.10115.4
579L27.7Very low27.9Very low161 Ų161146.2 Ų146.284%0.84378%0.781SS**  trans-155.2114145.8-103.9131.8000111.7
580N25.7Very low27.6Very low140 Ų140146.6 Ų146.675%0.74978%0.783SS**  trans55.694.3153.3-70.8-15.1000120.3H582N580-H582 VanDerWaalsContact C-N 3.3Å; N580-H582 PolarHBondContact O-N 2.84Å
581T24.5Very low27.3Very low137 Ų137146.1 Ų146.184%0.8478%0.78SS**SBendtrans-57.785.2143.947.30000111.3
582H26.4Very low27.2Very low168 Ų168147.5 Ų147.578%0.77878%0.782SS**  trans-171.963.2156.7-94.3-21.1000110.3N580N580-H582 VanDerWaalsContact C-N 3.3Å; N580-H582 PolarHBondContact O-N 2.84Å
583S23.8Very low26.9Very low90 Ų90147.1 Ų147.163%0.62978%0.781SS**  trans-108.287.4160.871.20000109.5L585S583-L585 VanDerWaalsContact C-N 3.3Å; S583-L585 PolarHBondContact O-N 2.89Å; S583-L585 VanDerWaalsContact O-N 3.11Å
584T25.1Very low26.5Very low98 Ų98151.1 Ų151.160%0.60179%0.789SS**  trans-68.398.1152.6-49.60000105.9
585L26.7Very low26.4Very low102 Ų102146.3 Ų146.353%0.53478%0.779SS.*  trans-61.4136.1168.7-82.9150.4000108.9F458 S583F458-L585 HydrophobicContact CD2-CD1 4.18Å; F458-L585 HydrophobicContact CE2-CD1 3.51Å; F458-L585 HydrophobicContact CZ-CD1 4.33Å; S583-L585 VanDerWaalsContact C-N 3.3Å; S583-L585 PolarHBondContact O-N 2.89Å; S583-L585 VanDerWaalsContact O-N 3.11Å
586M28.4Very low26.2Very low174 Ų174142 Ų14286%0.85777%0.768SS**  trans-63.30-173-78.3-166.617000115.3K326 V332K326-M586 PolarHBondContact NZ-OXT 3.1Å; V332-M586 HydrophobicContact CG1-SD 4.24Å

Retrieved 586 of 586 residues in 1229.4 ms (Link to these results)

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