A0A077YY52_TRITR Loading...

Cuticle collagen rol 6

AlphaFold DB , UniProt , Accession A0A077YY52, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 369 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
1M64.9Low83.8Confident211 Ų211124.2 Ų124.2100%1.03963%0.625SS**  0-720-63.5-69.8-141.500111.9A3 H4 E5M1-A3 PolarHBondContact O-N 3.32Å; M1-H4 PolarHBondContact O-N 3.11Å; M1-E5 PolarHBondContact O-N 2.8Å
2K74.9Confident84.5Confident181 Ų181125.2 Ų125.279%0.78762%0.623SS**Hα-helixtrans-57.4-39.8-175.4-72.8-179.6179175.20115.4H4 E5 T6K2-H4 VanDerWaalsContact C-N 3.34Å; K2-H4 PolarHBondContact O-N 3.11Å; K2-E5 PolarHBondContact O-N 2.7Å; K2-T6 PolarHBondContact O-N 3.43Å; K2-T6 VanDerWaalsContact O-N 3.12Å; K2-T6 PolarHBondContact O-OG1 3.32Å
3A78.8Confident85.2Confident76 Ų76123 Ų12363%0.62861%0.613SS**Hα-helixtrans-64.7-34.5179.700000113.6M1 T6 L7M1-A3 PolarHBondContact O-N 3.32Å; A3-T6 VanDerWaalsContact C-OG1 3.31Å; A3-T6 VanDerWaalsContact CA-OG1 3.32Å; A3-T6 WeakPolarHBondContact CA-OG1 3.32Å; A3-T6 PolarHBondContact O-OG1 3.18Å; A3-L7 PolarHBondContact O-N 3.37Å; A3-L7 VanDerWaalsContact O-N 3.09Å
4H80.6Confident85.8Confident134 Ų134119.2 Ų119.262%0.6260%0.604SS**Hα-helixtrans-70.8-39.9178.5-171.2-83.5000111.1M1 K2 L7 Q8M1-H4 PolarHBondContact O-N 3.11Å; K2-H4 VanDerWaalsContact C-N 3.34Å; K2-H4 PolarHBondContact O-N 3.11Å; H4-L7 PolarHBondContact O-N 3.48Å; H4-Q8 WeakPolarHBondContact O-CB 3.36Å; H4-Q8 PolarHBondContact O-N 3.01Å
5E84.5Confident86.3Confident100 Ų100114.5 Ų114.547%0.46759%0.591SS.*Hα-helixtrans-66.4-39.1177-162-174.9159.400111.9M1 K2 Q8 R9M1-E5 PolarHBondContact O-N 2.8Å; K2-E5 PolarHBondContact O-N 2.7Å; E5-Q8 PolarHBondContact O-N 3.38Å; E5-R9 WeakPolarHBondContact O-CG 3.46Å; E5-R9 PolarHBondContact O-N 3.21Å; E5-R9 IonicContact OE1-CZ 3.53Å; E5-R9 IonicContact OE1-NE 3.57Å; E5-R9 IonicContact OE1-NH2 2.74Å; E5-R9 PolarHBondContact OE1-NH2 3.41Å
6T85.9Confident86.8Confident88 Ų88111.3 Ų111.354%0.5458%0.582SS.*Hα-helixtrans-64.7-40.5173.843.90000112.4K2 A3 R9 L10K2-T6 PolarHBondContact O-N 3.43Å; K2-T6 VanDerWaalsContact O-N 3.12Å; K2-T6 PolarHBondContact O-OG1 3.32Å; A3-T6 VanDerWaalsContact C-OG1 3.31Å; A3-T6 VanDerWaalsContact CA-OG1 3.32Å; A3-T6 WeakPolarHBondContact CA-OG1 3.32Å; A3-T6 PolarHBondContact O-OG1 3.18Å; T6-R9 PolarHBondContact O-N 3.37Å; T6-L10 PolarHBondContact O-N 3.27Å
7L88.1Confident87.3Confident118 Ų118111.2 Ų111.262%0.61858%0.581SS**Hα-helixtrans-63.8-43.7177.7-156.893.2000110.9A3 H4 R9 L10 T11A3-L7 PolarHBondContact O-N 3.37Å; A3-L7 VanDerWaalsContact O-N 3.09Å; H4-L7 PolarHBondContact O-N 3.48Å; L7-R9 PolarHBondContact O-N 3.35Å; L7-L10 WeakPolarHBondContact O-CB 3.49Å; L7-L10 PolarHBondContact O-N 3.32Å; L7-T11 WeakPolarHBondContact O-CG2 3.48Å; L7-T11 PolarHBondContact O-N 3.33Å; L7-T11 PolarHBondContact O-OG1 2.74Å
8Q88.8Confident87.7Confident101 Ų101108.7 Ų108.747%0.47257%0.574SS.*Hα-helixtrans-65.6-36.4178.7-169.6174.7-19.400112.5H4 E5 T11 F12H4-Q8 WeakPolarHBondContact O-CB 3.36Å; H4-Q8 PolarHBondContact O-N 3.01Å; E5-Q8 PolarHBondContact O-N 3.38Å; Q8-T11 WeakPolarHBondContact CA-OG1 3.25Å; Q8-T11 PolarHBondContact O-OG1 3.5Å; Q8-F12 HydrophobicContact CG-CD2 4.38Å; Q8-F12 WeakPolarHBondContact O-CD2 3.48Å; Q8-F12 PolarHBondContact O-N 3.21Å; Q8-F12 VanDerWaalsContact O-N 3.15Å
9R91.6Very high88Confident157 Ų157108.2 Ų108.259%0.59258%0.576SS**Hα-helixtrans-66.6-39.7172.2-70.8179-172.7-154.44.9111.6E5 T6 L7 F12 I13E5-R9 WeakPolarHBondContact O-CG 3.46Å; E5-R9 PolarHBondContact O-N 3.21Å; E5-R9 IonicContact OE1-CZ 3.53Å; E5-R9 IonicContact OE1-NE 3.57Å; E5-R9 IonicContact OE1-NH2 2.74Å; E5-R9 PolarHBondContact OE1-NH2 3.41Å; T6-R9 PolarHBondContact O-N 3.37Å; L7-R9 PolarHBondContact O-N 3.35Å; R9-F12 PolarHBondContact O-N 3.28Å; R9-I13 WeakPolarHBondContact O-CD1 3.37Å; R9-I13 VanDerWaalsContact O-CG1 3.25Å; R9-I13 WeakPolarHBondContact O-CG1 3.46Å; R9-I13 PolarHBondContact O-N 3.4Å
10L91Very high88.3Confident126 Ų126108.7 Ų108.766%0.6658%0.578SS**Hα-helixtrans-64-42.5178.6-135.183.9000111.8T6 L7 I13 S14T6-L10 PolarHBondContact O-N 3.27Å; L7-L10 WeakPolarHBondContact O-CB 3.49Å; L7-L10 PolarHBondContact O-N 3.32Å; L10-I13 PolarHBondContact O-N 3.36Å; L10-S14 PolarHBondContact O-N 2.8Å; L10-S14 PolarHBondContact O-OG 3.43Å
11T92.6Very high88.4Confident74 Ų74106 Ų10645%0.45457%0.572SS.*Hα-helixtrans-67.3-36.9177.955.60000112.4L7 Q8 S14 A15L7-T11 WeakPolarHBondContact O-CG2 3.48Å; L7-T11 PolarHBondContact O-N 3.33Å; L7-T11 PolarHBondContact O-OG1 2.74Å; Q8-T11 WeakPolarHBondContact CA-OG1 3.25Å; Q8-T11 PolarHBondContact O-OG1 3.5Å; T11-S14 WeakPolarHBondContact CA-OG 3.44Å; T11-S14 PolarHBondContact O-N 3.18Å; T11-S14 PolarHBondContact O-OG 3.19Å; T11-A15 WeakPolarHBondContact O-CB 3.37Å; T11-A15 PolarHBondContact O-N 3.45Å
12F93Very high89.7Confident136 Ų136101.9 Ų101.960%0.59655%0.551SS**Hα-helixtrans-63.9-41.5172.3-101.3-85.6000112.2Q8 R9 S16Q8-F12 HydrophobicContact CG-CD2 4.38Å; Q8-F12 WeakPolarHBondContact O-CD2 3.48Å; Q8-F12 PolarHBondContact O-N 3.21Å; Q8-F12 VanDerWaalsContact O-N 3.15Å; R9-F12 PolarHBondContact O-N 3.28Å; F12-S16 WeakPolarHBondContact O-CB 3.35Å; F12-S16 PolarHBondContact O-N 3.12Å; F12-S16 PolarHBondContact O-OG 3.45Å
13I93.3Very high90.4Very high97 Ų9794.9 Ų94.950%0.49753%0.527SS..Hα-helixtrans-65.7-44.9176.9-67.6164000110.3R9 L10 A15 S16 L17R9-I13 WeakPolarHBondContact O-CD1 3.37Å; R9-I13 VanDerWaalsContact O-CG1 3.25Å; R9-I13 WeakPolarHBondContact O-CG1 3.46Å; R9-I13 PolarHBondContact O-N 3.4Å; L10-I13 PolarHBondContact O-N 3.36Å; I13-A15 PolarHBondContact O-N 3.4Å; I13-S16 PolarHBondContact O-N 3.34Å; I13-L17 HydrophobicContact CG2-CD1 3.94Å; I13-L17 HydrophobicContact CG2-CG 4.44Å; I13-L17 WeakPolarHBondContact O-CG 3.43Å; I13-L17 PolarHBondContact O-N 3.01Å
14S93.4Very high90.9Very high70 Ų7095.1 Ų95.149%0.4952%0.523SS..Hα-helixtrans-63.8-40.3178.6630000112.5L10 T11 L17 S18L10-S14 PolarHBondContact O-N 2.8Å; L10-S14 PolarHBondContact O-OG 3.43Å; T11-S14 WeakPolarHBondContact CA-OG 3.44Å; T11-S14 PolarHBondContact O-N 3.18Å; T11-S14 PolarHBondContact O-OG 3.19Å; S14-L17 PolarHBondContact O-N 3.18Å; S14-S18 PolarHBondContact O-N 3.01Å; S14-S18 PolarHBondContact O-OG 3.38Å
15A93.7Very high91.3Very high49 Ų4992.6 Ų92.641%0.40552%0.52SS..Hα-helixtrans-67-36.7175.100000112.1T11 I13 S18 V19T11-A15 WeakPolarHBondContact O-CB 3.37Å; T11-A15 PolarHBondContact O-N 3.45Å; I13-A15 PolarHBondContact O-N 3.4Å; A15-S18 PolarHBondContact O-N 3.09Å; A15-S18 PolarHBondContact O-OG 3.27Å; A15-V19 VanDerWaalsContact O-CG2 3.29Å; A15-V19 WeakPolarHBondContact O-CG2 3.38Å; A15-V19 PolarHBondContact O-N 3.5Å; A15-V19 VanDerWaalsContact O-N 3.12Å
16S94.2Very high91.5Very high63 Ų6394 Ų9444%0.44153%0.529SS..Hα-helixtrans-67.4-39.8176.3-57.50000111.6F12 I13 V19 L20F12-S16 WeakPolarHBondContact O-CB 3.35Å; F12-S16 PolarHBondContact O-N 3.12Å; F12-S16 PolarHBondContact O-OG 3.45Å; I13-S16 PolarHBondContact O-N 3.34Å; S16-V19 PolarHBondContact O-N 3.26Å; S16-L20 WeakPolarHBondContact O-CB 3.29Å; S16-L20 WeakPolarHBondContact O-CG 3.33Å; S16-L20 PolarHBondContact O-N 3.47Å
17L94.4Very high91.6Very high110 Ų11097.7 Ų97.758%0.57654%0.539SS*.Hα-helixtrans-65.7-39.8176.2-74168.5000112.2I13 S14 L20 A21I13-L17 HydrophobicContact CG2-CD1 3.94Å; I13-L17 HydrophobicContact CG2-CG 4.44Å; I13-L17 WeakPolarHBondContact O-CG 3.43Å; I13-L17 PolarHBondContact O-N 3.01Å; S14-L17 PolarHBondContact O-N 3.18Å; L17-L20 PolarHBondContact O-N 3.02Å; L17-A21 WeakPolarHBondContact O-CB 3.46Å; L17-A21 PolarHBondContact O-N 3.41Å
18S94.6Very high91.5Very high65 Ų6594 Ų9446%0.45553%0.525SS..Hα-helixtrans-67.4-39.4177.363.10000112.2S14 A15 A21 M22S14-S18 PolarHBondContact O-N 3.01Å; S14-S18 PolarHBondContact O-OG 3.38Å; A15-S18 PolarHBondContact O-N 3.09Å; A15-S18 PolarHBondContact O-OG 3.27Å; S18-A21 PolarHBondContact O-N 3.15Å; S18-M22 WeakPolarHBondContact O-CG 3.09Å; S18-M22 PolarHBondContact O-N 2.99Å
19V94Very high91.4Very high100 Ų10091.2 Ų91.261%0.60652%0.519SS*.Hα-helixtrans-64.6-42.9174.6173.50000111.3A15 S16 A21 M22 A23A15-V19 VanDerWaalsContact O-CG2 3.29Å; A15-V19 WeakPolarHBondContact O-CG2 3.38Å; A15-V19 PolarHBondContact O-N 3.5Å; A15-V19 VanDerWaalsContact O-N 3.12Å; S16-V19 PolarHBondContact O-N 3.26Å; V19-A21 PolarHBondContact O-N 2.95Å; V19-M22 PolarHBondContact O-N 3.32Å; V19-A23 WeakPolarHBondContact O-CB 3.17Å; V19-A23 PolarHBondContact O-N 3.1Å
20L93.3Very high91.2Very high117 Ų11787.3 Ų87.361%0.61351%0.514SS*.Hα-helixtrans-63-40175.6-77.4166.1000112.3S16 L17 A23 C24S16-L20 WeakPolarHBondContact O-CB 3.29Å; S16-L20 WeakPolarHBondContact O-CG 3.33Å; S16-L20 PolarHBondContact O-N 3.47Å; L17-L20 PolarHBondContact O-N 3.02Å; L20-A23 PolarHBondContact O-N 2.94Å; L20-C24 WeakPolarHBondContact O-CB 3.41Å; L20-C24 PolarHBondContact O-N 2.91Å
21A92Very high90.9Very high54 Ų5484.1 Ų84.145%0.44651%0.506SS..Hα-helixtrans-63.9-45.7176.200000111.7L17 S18 V19 A23 C24 C25L17-A21 WeakPolarHBondContact O-CB 3.46Å; L17-A21 PolarHBondContact O-N 3.41Å; S18-A21 PolarHBondContact O-N 3.15Å; V19-A21 PolarHBondContact O-N 2.95Å; A21-A23 PolarHBondContact O-N 3.37Å; A21-C24 WeakPolarHBondContact O-CB 3.49Å; A21-C24 PolarHBondContact O-N 2.9Å; A21-C25 PolarHBondContact O-N 3.38Å; A21-C25 PolarHBondContact O-SG 3.45Å; A21-C25 VanDerWaalsContact O-SG 3.34Å
22M91.6Very high90.5Very high123 Ų12385.3 Ų85.361%0.60651%0.508SS*.Hα-helixtrans-63.4-41.8176.6-71.1-60-66.300112.1S18 V19 C25 L26S18-M22 WeakPolarHBondContact O-CG 3.09Å; S18-M22 PolarHBondContact O-N 2.99Å; V19-M22 PolarHBondContact O-N 3.32Å; M22-C25 PolarHBondContact O-N 2.96Å; M22-L26 WeakPolarHBondContact O-CG 3.5Å; M22-L26 PolarHBondContact O-N 2.98Å
23A90.1Very high90.2Very high34 Ų3484 Ų8428%0.28151%0.507SS..Hα-helixtrans-60.9-45.817400000111.3V19 L20 A21 C25 L26 F27V19-A23 WeakPolarHBondContact O-CB 3.17Å; V19-A23 PolarHBondContact O-N 3.1Å; L20-A23 PolarHBondContact O-N 2.94Å; A21-A23 PolarHBondContact O-N 3.37Å; A23-C25 VanDerWaalsContact C-N 3.33Å; A23-C25 PolarHBondContact O-N 2.73Å; A23-L26 PolarHBondContact O-N 2.94Å; A23-L26 VanDerWaalsContact O-N 3.14Å; A23-F27 WeakPolarHBondContact O-CD2 3.12Å; A23-F27 PolarHBondContact O-N 3.36Å
24C88.8Confident89.8Confident82 Ų8288.1 Ų88.155%0.55452%0.516SS*.Hα-helixtrans-58.6-43.7176.8-166.20000111.8L20 A21 L26 F27 A28L20-C24 WeakPolarHBondContact O-CB 3.41Å; L20-C24 PolarHBondContact O-N 2.91Å; A21-C24 WeakPolarHBondContact O-CB 3.49Å; A21-C24 PolarHBondContact O-N 2.9Å; C24-L26 PolarHBondContact O-N 3.46Å; C24-F27 PolarHBondContact O-N 3.46Å; C24-A28 WeakPolarHBondContact O-CB 3.34Å; C24-A28 PolarHBondContact O-N 3.29Å
25C88.9Confident89.6Confident81 Ų8190 Ų9055%0.54752%0.517SS..Hα-helixtrans-61.3-41.2175-69.50000112.4A21 M22 A23 A29A21-C25 PolarHBondContact O-N 3.38Å; A21-C25 PolarHBondContact O-SG 3.45Å; A21-C25 VanDerWaalsContact O-SG 3.34Å; M22-C25 PolarHBondContact O-N 2.96Å; A23-C25 VanDerWaalsContact C-N 3.33Å; A23-C25 PolarHBondContact O-N 2.73Å; C25-A29 WeakPolarHBondContact O-CB 3.41Å; C25-A29 PolarHBondContact O-N 3.41Å
26L88.9Confident89.2Confident128 Ų12891.7 Ų91.767%0.6752%0.519SS*.Hα-helixtrans-68.8-32.3178.8-69.5173.8000113.1M22 A23 C24 P30M22-L26 WeakPolarHBondContact O-CG 3.5Å; M22-L26 PolarHBondContact O-N 2.98Å; A23-L26 PolarHBondContact O-N 2.94Å; A23-L26 VanDerWaalsContact O-N 3.14Å; C24-L26 PolarHBondContact O-N 3.46Å; L26-P30 WeakPolarHBondContact O-CD 3.3Å; L26-P30 WeakPolarHBondContact O-CG 3.35Å
27F87Confident88.7Confident167 Ų16793.5 Ų93.573%0.73252%0.52SS*.Hα-helixtrans-85.3-34.6177.3-73.4-68.5000113.2A23 C24 P30A23-F27 WeakPolarHBondContact O-CD2 3.12Å; A23-F27 PolarHBondContact O-N 3.36Å; C24-F27 PolarHBondContact O-N 3.46Å; F27-P30 WeakPolarHBondContact O-CD 3.03Å
28A87.3Confident88.5Confident39 Ų3991.3 Ų91.332%0.32251%0.514SS..Hα-helixtrans-78.5-36.7-179.200000112.6C24 A31 I32C24-A28 WeakPolarHBondContact O-CB 3.34Å; C24-A28 PolarHBondContact O-N 3.29Å; A28-A31 PolarHBondContact O-N 3.34Å; A28-I32 HydrophobicContact CB-CD1 4.33Å; A28-I32 VanDerWaalsContact O-CG1 3.3Å; A28-I32 WeakPolarHBondContact O-CG1 3.33Å; A28-I32 PolarHBondContact O-N 3.49Å
29A85Confident88.2Confident44 Ų4493.4 Ų93.436%0.36452%0.519SS..Hα-helixtrans-54.3-51.3-179.400000113.9C25 A31 I32 I33C25-A29 WeakPolarHBondContact O-CB 3.41Å; C25-A29 PolarHBondContact O-N 3.41Å; A29-A31 VanDerWaalsContact C-N 3.33Å; A29-A31 PolarHBondContact O-N 3.43Å; A29-I32 PolarHBondContact O-N 3Å; A29-I33 WeakPolarHBondContact O-CB 3.3Å; A29-I33 WeakPolarHBondContact O-CD1 3.43Å; A29-I33 WeakPolarHBondContact O-CG1 3.28Å; A29-I33 PolarHBondContact O-N 2.95Å
30P87.8Confident87.8Confident75 Ų7595.5 Ų95.549%0.48752%0.516SS..Hα-helixtrans-65.6-34.7-179.224.3-33.5000112.8L26 F27 I33 W34L26-P30 WeakPolarHBondContact O-CD 3.3Å; L26-P30 WeakPolarHBondContact O-CG 3.35Å; F27-P30 WeakPolarHBondContact O-CD 3.03Å; P30-I33 PolarHBondContact O-N 3.48Å; P30-W34 WeakPolarHBondContact O-CB 3.18Å; P30-W34 PolarHBondContact O-N 3.43Å
31A85.2Confident87.5Confident58 Ų5894.4 Ų94.448%0.47951%0.51SS..Hα-helixtrans-66.6-42.517700000111.7A28 A29 W34 E35A28-A31 PolarHBondContact O-N 3.34Å; A29-A31 VanDerWaalsContact C-N 3.33Å; A29-A31 PolarHBondContact O-N 3.43Å; A31-W34 PolarHBondContact O-N 2.93Å; A31-E35 PolarHBondContact O-N 3.47Å; A31-E35 VanDerWaalsContact O-N 3.07Å
32I84.7Confident87.4Confident99 Ų9996.1 Ų96.151%0.50851%0.512SS..Hα-helixtrans-66.8-42.7176.6-64.9165.6000110.6A28 A29 W34 E35 I36A28-I32 HydrophobicContact CB-CD1 4.33Å; A28-I32 VanDerWaalsContact O-CG1 3.3Å; A28-I32 WeakPolarHBondContact O-CG1 3.33Å; A28-I32 PolarHBondContact O-N 3.49Å; A29-I32 PolarHBondContact O-N 3Å; I32-W34 VanDerWaalsContact C-N 3.3Å; I32-W34 PolarHBondContact O-N 3.23Å; I32-E35 PolarHBondContact O-N 3.29Å; I32-I36 HydrophobicContact CG2-CD1 3.8Å; I32-I36 HydrophobicContact CG2-CG1 4.43Å; I32-I36 VanDerWaalsContact O-CG1 3.28Å; I32-I36 WeakPolarHBondContact O-CG1 3.44Å; I32-I36 PolarHBondContact O-N 3.46Å
33I85.5Confident87.2Confident110 Ų11094.1 Ų94.156%0.56450%0.503SS*.Hα-helixtrans-61.5-41.2177-68.8164.8000110.5A29 P30 I36 Q37A29-I33 WeakPolarHBondContact O-CB 3.3Å; A29-I33 WeakPolarHBondContact O-CD1 3.43Å; A29-I33 WeakPolarHBondContact O-CG1 3.28Å; A29-I33 PolarHBondContact O-N 2.95Å; P30-I33 PolarHBondContact O-N 3.48Å; I33-I36 PolarHBondContact O-N 3.33Å; I33-Q37 WeakPolarHBondContact O-CB 3.44Å; I33-Q37 PolarHBondContact O-N 3.45Å
34W84.8Confident87Confident183 Ų18397 Ų9769%0.69352%0.515SS*.Hα-helixtrans-65.4-42.6178.3-171.670.7000112.8P30 A31 I32 Q37 S38P30-W34 WeakPolarHBondContact O-CB 3.18Å; P30-W34 PolarHBondContact O-N 3.43Å; A31-W34 PolarHBondContact O-N 2.93Å; I32-W34 VanDerWaalsContact C-N 3.3Å; I32-W34 PolarHBondContact O-N 3.23Å; W34-Q37 PolarHBondContact O-N 3.12Å; W34-S38 PolarHBondContact O-N 2.91Å
35E88.6Confident86.9Confident109 Ų10999.6 Ų99.651%0.50952%0.516SS..Hα-helixtrans-61.4-44.6173.2-80.1-75.7177.500111.9A31 I32 Q37 S38 I39A31-E35 PolarHBondContact O-N 3.47Å; A31-E35 VanDerWaalsContact O-N 3.07Å; I32-E35 PolarHBondContact O-N 3.29Å; E35-Q37 VanDerWaalsContact C-N 3.33Å; E35-Q37 PolarHBondContact O-N 3.06Å; E35-S38 PolarHBondContact O-N 3.26Å; E35-I39 VanDerWaalsContact O-CG1 3.3Å; E35-I39 WeakPolarHBondContact O-CG1 3.43Å; E35-I39 PolarHBondContact O-N 3.46Å
36I85.6Confident86.8Confident85 Ų85100.2 Ų100.244%0.43651%0.511SS..Hα-helixtrans-61.3-44176.4-69.1168.5000110.5I32 I33 S38 I39 W40I32-I36 HydrophobicContact CG2-CD1 3.8Å; I32-I36 HydrophobicContact CG2-CG1 4.43Å; I32-I36 VanDerWaalsContact O-CG1 3.28Å; I32-I36 WeakPolarHBondContact O-CG1 3.44Å; I32-I36 PolarHBondContact O-N 3.46Å; I33-I36 PolarHBondContact O-N 3.33Å; I36-S38 PolarHBondContact O-N 2.9Å; I36-I39 PolarHBondContact O-N 3.14Å; I36-W40 VanDerWaalsContact O-CD1 3.24Å; I36-W40 PolarHBondContact O-N 2.93Å
37Q85.1Confident86.6Confident101 Ų10197.4 Ų97.447%0.47250%0.496SS..Hα-helixtrans-62.8-42.7178.4-168.964.228.700111.6I33 W34 E35 I39 W40 D41I33-Q37 WeakPolarHBondContact O-CB 3.44Å; I33-Q37 PolarHBondContact O-N 3.45Å; W34-Q37 PolarHBondContact O-N 3.12Å; E35-Q37 VanDerWaalsContact C-N 3.33Å; E35-Q37 PolarHBondContact O-N 3.06Å; Q37-I39 VanDerWaalsContact C-N 3.29Å; Q37-I39 PolarHBondContact O-N 3.4Å; Q37-W40 PolarHBondContact O-N 3.5Å; Q37-D41 PolarHBondContact NE2-OD1 2.95Å; Q37-D41 PolarHBondContact O-N 2.83Å
38S90.1Very high86.4Confident63 Ų6391.2 Ų91.244%0.44148%0.48SS..Hα-helixtrans-61.8-36.3175.9-176.10000112.6W34 E35 I36 D42W34-S38 PolarHBondContact O-N 2.91Å; E35-S38 PolarHBondContact O-N 3.26Å; I36-S38 PolarHBondContact O-N 2.9Å; S38-D42 PolarHBondContact O-N 2.98Å
39I88.5Confident86.2Confident109 Ų10994.2 Ų94.256%0.55949%0.487SS*.Hα-helixtrans-69-40.8176.2-67.2165.2000110.6E35 I36 Q37 D42 L43E35-I39 VanDerWaalsContact O-CG1 3.3Å; E35-I39 WeakPolarHBondContact O-CG1 3.43Å; E35-I39 PolarHBondContact O-N 3.46Å; I36-I39 PolarHBondContact O-N 3.14Å; Q37-I39 VanDerWaalsContact C-N 3.29Å; Q37-I39 PolarHBondContact O-N 3.4Å; I39-D42 PolarHBondContact O-N 3.34Å; I39-L43 WeakPolarHBondContact O-CB 3.46Å; I39-L43 PolarHBondContact O-N 3.46Å
40W85.3Confident85.8Confident144 Ų14498 Ų9855%0.54550%0.497SS..Hα-helixtrans-63.5-43.8175.9-85.7105.6000112.2I36 Q37 D42 L43 D44I36-W40 VanDerWaalsContact O-CD1 3.24Å; I36-W40 PolarHBondContact O-N 2.93Å; Q37-W40 PolarHBondContact O-N 3.5Å; W40-D42 VanDerWaalsContact C-N 3.32Å; W40-D42 PolarHBondContact O-N 3.34Å; W40-L43 HydrophobicContact CE3-CD2 4.15Å; W40-L43 HydrophobicContact CZ3-CD2 4.06Å; W40-L43 PolarHBondContact O-N 3.39Å; W40-D44 PolarHBondContact O-N 3.49Å
41D86.5Confident85.6Confident94 Ų94100.8 Ų100.850%0.50350%0.502SS..Hα-helixtrans-62.2-38.3178.3-68-16.4000111.8Q37 K45Q37-D41 PolarHBondContact NE2-OD1 2.95Å; Q37-D41 PolarHBondContact O-N 2.83Å; D41-K45 PolarHBondContact O-N 3.41Å
42D89.9Confident85.4Confident91 Ų91100.6 Ų100.649%0.48750%0.5SS..Hα-helixtrans-69.7-39.3175.2-167.659.3000112.1S38 I39 W40 D44 K45 Q46S38-D42 PolarHBondContact O-N 2.98Å; I39-D42 PolarHBondContact O-N 3.34Å; W40-D42 VanDerWaalsContact C-N 3.32Å; W40-D42 PolarHBondContact O-N 3.34Å; D42-D44 PolarHBondContact O-N 3.37Å; D42-K45 WeakPolarHBondContact O-CB 3.31Å; D42-K45 PolarHBondContact O-N 3.49Å; D42-Q46 VanDerWaalsContact O-CG 3.31Å; D42-Q46 WeakPolarHBondContact O-CG 3.3Å; D42-Q46 PolarHBondContact O-N 3.27Å
43L88.6Confident85.3Confident80 Ų8099.7 Ų99.742%0.41950%0.495SS..Hα-helixtrans-62.1-42.6175.6-176.264.3000111.7I39 W40 K45 Q46 I47I39-L43 WeakPolarHBondContact O-CB 3.46Å; I39-L43 PolarHBondContact O-N 3.46Å; W40-L43 HydrophobicContact CE3-CD2 4.15Å; W40-L43 HydrophobicContact CZ3-CD2 4.06Å; W40-L43 PolarHBondContact O-N 3.39Å; L43-K45 VanDerWaalsContact C-N 3.31Å; L43-K45 PolarHBondContact O-N 3.25Å; L43-Q46 WeakPolarHBondContact O-CB 3.47Å; L43-Q46 PolarHBondContact O-N 3Å; L43-I47 HydrophobicContact CD1-CD1 4.46Å; L43-I47 HydrophobicContact CG-CD1 4.03Å; L43-I47 VanDerWaalsContact O-CG1 3.3Å; L43-I47 WeakPolarHBondContact O-CG1 3.44Å; L43-I47 PolarHBondContact O-N 3.01Å
44D85Confident85Confident96 Ų9697 Ų9751%0.51349%0.486SS..Hα-helixtrans-63.7-37.9176.5-86.2-24.1000111.9W40 D42 I47 G48W40-D44 PolarHBondContact O-N 3.49Å; D42-D44 PolarHBondContact O-N 3.37Å; D44-I47 PolarHBondContact O-N 3.01Å; D44-G48 PolarHBondContact O-N 3.43Å
45K87.6Confident84.9Confident136 Ų13690.1 Ų90.159%0.59147%0.472SS*.Hα-helixtrans-63.5-43.7174.2-170.3179.7-179.3-177.80111.8D41 D42 L43 G48 Q49D41-K45 PolarHBondContact O-N 3.41Å; D42-K45 WeakPolarHBondContact O-CB 3.31Å; D42-K45 PolarHBondContact O-N 3.49Å; L43-K45 VanDerWaalsContact C-N 3.31Å; L43-K45 PolarHBondContact O-N 3.25Å; K45-G48 PolarHBondContact O-N 3.01Å; K45-Q49 WeakPolarHBondContact O-CG 3.38Å; K45-Q49 PolarHBondContact O-N 3.32Å
46Q86.3Confident84.6Confident94 Ų9491.3 Ų91.344%0.43948%0.478SS..Hα-helixtrans-61.7-44.8175.3-69.1-83.3-12.200111.4D42 L43 G48 Q49 Q50D42-Q46 VanDerWaalsContact O-CG 3.31Å; D42-Q46 WeakPolarHBondContact O-CG 3.3Å; D42-Q46 PolarHBondContact O-N 3.27Å; L43-Q46 WeakPolarHBondContact O-CB 3.47Å; L43-Q46 PolarHBondContact O-N 3Å; Q46-G48 VanDerWaalsContact C-N 3.32Å; Q46-G48 PolarHBondContact O-N 3.37Å; Q46-Q49 PolarHBondContact O-N 2.94Å; Q46-Q50 WeakPolarHBondContact O-CG 3.37Å; Q46-Q50 PolarHBondContact O-N 2.96Å
47I83.5Confident84.6Confident68 Ų6892 Ų9235%0.34948%0.482SS..Hα-helixtrans-62.5-40.7176-68.3167000110.7L43 D44 Q50 K51L43-I47 HydrophobicContact CD1-CD1 4.46Å; L43-I47 HydrophobicContact CG-CD1 4.03Å; L43-I47 VanDerWaalsContact O-CG1 3.3Å; L43-I47 WeakPolarHBondContact O-CG1 3.44Å; L43-I47 PolarHBondContact O-N 3.01Å; D44-I47 PolarHBondContact O-N 3.01Å; I47-Q50 PolarHBondContact O-N 3.38Å; I47-K51 HydrophobicContact CG2-CD 4.23Å; I47-K51 WeakPolarHBondContact O-CB 3.44Å; I47-K51 WeakPolarHBondContact O-CG 3.34Å; I47-K51 PolarHBondContact O-N 3.07Å
48G82.9Confident84.2Confident38 Ų3894.5 Ų94.539%0.39249%0.486SS..Hα-helixtrans-59.7-46.4174.600000112.7D44 K45 Q46 K51 A52D44-G48 PolarHBondContact O-N 3.43Å; K45-G48 PolarHBondContact O-N 3.01Å; Q46-G48 VanDerWaalsContact C-N 3.32Å; Q46-G48 PolarHBondContact O-N 3.37Å; G48-K51 PolarHBondContact O-N 3.44Å; G48-A52 PolarHBondContact O-N 3.21Å
49Q84.6Confident83.8Confident102 Ų10294.8 Ų94.848%0.47749%0.489SS..Hα-helixtrans-63-43.3175.9-72.7-175.9-25.600112.2K45 Q46 K51 A52 I53K45-Q49 WeakPolarHBondContact O-CG 3.38Å; K45-Q49 PolarHBondContact O-N 3.32Å; Q46-Q49 PolarHBondContact O-N 2.94Å; Q49-K51 VanDerWaalsContact C-N 3.34Å; Q49-K51 PolarHBondContact O-N 3.39Å; Q49-A52 PolarHBondContact O-N 3.03Å; Q49-I53 WeakPolarHBondContact O-CG1 3.5Å; Q49-I53 PolarHBondContact O-N 3.44Å
50Q76.2Confident83.7Confident123 Ų12394.6 Ų94.658%0.57549%0.486SS*.Hα-helixtrans-62.6-39.5176.1-73-65.9-38.300112.2Q46 I47 S54Q46-Q50 WeakPolarHBondContact O-CG 3.37Å; Q46-Q50 PolarHBondContact O-N 2.96Å; I47-Q50 PolarHBondContact O-N 3.38Å; Q50-S54 VanDerWaalsContact O-CB 3.31Å; Q50-S54 WeakPolarHBondContact O-CB 3.31Å; Q50-S54 PolarHBondContact O-N 3.37Å
51K82.3Confident83.8Confident134 Ų13490.2 Ų90.258%0.58348%0.475SS*.Hα-helixtrans-65.3-39.1174.2-75.4176.6-177.9173.70112.1I47 G48 Q49 S54 G55I47-K51 HydrophobicContact CG2-CD 4.23Å; I47-K51 WeakPolarHBondContact O-CB 3.44Å; I47-K51 WeakPolarHBondContact O-CG 3.34Å; I47-K51 PolarHBondContact O-N 3.07Å; G48-K51 PolarHBondContact O-N 3.44Å; Q49-K51 VanDerWaalsContact C-N 3.34Å; Q49-K51 PolarHBondContact O-N 3.39Å; K51-S54 PolarHBondContact O-N 3.39Å; K51-G55 PolarHBondContact O-N 3.46Å
52A81.5Confident83.8Confident54 Ų5490.8 Ų90.845%0.44648%0.477SS..Hα-helixtrans-63.3-48.9175.900000111.6G48 Q49 S54 G55 E56G48-A52 PolarHBondContact O-N 3.21Å; Q49-A52 PolarHBondContact O-N 3.03Å; A52-S54 VanDerWaalsContact C-N 3.31Å; A52-S54 PolarHBondContact O-N 2.93Å; A52-G55 WeakPolarHBondContact O-CA 3.5Å; A52-G55 PolarHBondContact O-N 3.48Å; A52-G55 VanDerWaalsContact O-N 3.09Å; A52-E56 WeakPolarHBondContact O-CG 3.24Å; A52-E56 PolarHBondContact O-N 2.91Å
53I83.1Confident83.7Confident80 Ų8091.6 Ų91.641%0.4148%0.477SS..Hα-helixtrans-59.5-43.7176.2-65.6165.1000110.6Q49 G55 E56 I57Q49-I53 WeakPolarHBondContact O-CG1 3.5Å; Q49-I53 PolarHBondContact O-N 3.44Å; I53-G55 VanDerWaalsContact C-N 3.35Å; I53-G55 PolarHBondContact O-N 3.33Å; I53-E56 PolarHBondContact O-N 3.22Å; I53-I57 HydrophobicContact CG2-CD1 3.75Å; I53-I57 HydrophobicContact CG2-CG1 4.39Å; I53-I57 VanDerWaalsContact O-CG1 3.24Å; I53-I57 WeakPolarHBondContact O-CG1 3.47Å; I53-I57 PolarHBondContact O-N 3.3Å
54S79.3Confident83.6Confident53 Ų5392.6 Ų92.637%0.37148%0.483SS..Hα-helixtrans-59.8-45.5174.9-176.50000111.3Q50 K51 A52 E56 I57 W58Q50-S54 VanDerWaalsContact O-CB 3.31Å; Q50-S54 WeakPolarHBondContact O-CB 3.31Å; Q50-S54 PolarHBondContact O-N 3.37Å; K51-S54 PolarHBondContact O-N 3.39Å; A52-S54 VanDerWaalsContact C-N 3.31Å; A52-S54 PolarHBondContact O-N 2.93Å; S54-E56 PolarHBondContact O-N 3.49Å; S54-I57 PolarHBondContact O-N 3Å; S54-W58 WeakPolarHBondContact O-CB 3.48Å; S54-W58 PolarHBondContact O-N 3.4Å
55G82.4Confident83.8Confident39 Ų3995.6 Ų95.640%0.40249%0.487SS..Hα-helixtrans-58.5-43.1175.900000113.3K51 A52 I53 W58 S59K51-G55 PolarHBondContact O-N 3.46Å; A52-G55 WeakPolarHBondContact O-CA 3.5Å; A52-G55 PolarHBondContact O-N 3.48Å; A52-G55 VanDerWaalsContact O-N 3.09Å; I53-G55 VanDerWaalsContact C-N 3.35Å; I53-G55 PolarHBondContact O-N 3.33Å; G55-W58 PolarHBondContact O-N 3.2Å; G55-S59 PolarHBondContact O-N 3.24Å
56E83.3Confident83.8Confident134 Ų13491.4 Ų91.463%0.62648%0.475SS*.Hα-helixtrans-65.6-41.4175.1-71.3178.3175.100112.4A52 I53 S54 W58 S59 E60A52-E56 WeakPolarHBondContact O-CG 3.24Å; A52-E56 PolarHBondContact O-N 2.91Å; I53-E56 PolarHBondContact O-N 3.22Å; S54-E56 PolarHBondContact O-N 3.49Å; E56-W58 VanDerWaalsContact C-N 3.33Å; E56-W58 PolarHBondContact O-N 3Å; E56-S59 PolarHBondContact O-N 2.94Å; E56-S59 PolarHBondContact O-OG 2.9Å; E56-E60 WeakPolarHBondContact O-CB 3.46Å; E56-E60 PolarHBondContact O-N 3.44Å; E56-E60 VanDerWaalsContact O-N 3.07Å
57I84.4Confident83.9Confident100 Ų10090.4 Ų90.451%0.51348%0.475SS..Hα-helixtrans-63.8-42.2175-67.7165.7000110.3I53 S54 E60 V61I53-I57 HydrophobicContact CG2-CD1 3.75Å; I53-I57 HydrophobicContact CG2-CG1 4.39Å; I53-I57 VanDerWaalsContact O-CG1 3.24Å; I53-I57 WeakPolarHBondContact O-CG1 3.47Å; I53-I57 PolarHBondContact O-N 3.3Å; S54-I57 PolarHBondContact O-N 3Å; I57-E60 PolarHBondContact O-N 3.22Å; I57-V61 HydrophobicContact CG2-CG2 4.34Å; I57-V61 WeakPolarHBondContact O-CB 3.48Å; I57-V61 VanDerWaalsContact O-CG2 3.23Å; I57-V61 WeakPolarHBondContact O-CG2 3.42Å; I57-V61 PolarHBondContact O-N 3.25Å
58W77.3Confident84.1Confident152 Ų15294.7 Ų94.758%0.57649%0.487SS*.Hα-helixtrans-66.6-38.4178.7-82.1109.9000112.6S54 G55 E56 V61 L62S54-W58 WeakPolarHBondContact O-CB 3.48Å; S54-W58 PolarHBondContact O-N 3.4Å; G55-W58 PolarHBondContact O-N 3.2Å; E56-W58 VanDerWaalsContact C-N 3.33Å; E56-W58 PolarHBondContact O-N 3Å; W58-V61 PolarHBondContact O-N 3.4Å; W58-L62 WeakPolarHBondContact O-CB 3.5Å; W58-L62 VanDerWaalsContact O-CG 3.3Å; W58-L62 WeakPolarHBondContact O-CG 3.23Å; W58-L62 PolarHBondContact O-N 3.37Å
59S80.3Confident84.1Confident70 Ų7095.5 Ų95.549%0.4949%0.49SS..Hα-helixtrans-64.7-41.3175.667.80000111.3G55 E56 L62 H63G55-S59 PolarHBondContact O-N 3.24Å; E56-S59 PolarHBondContact O-N 2.94Å; E56-S59 PolarHBondContact O-OG 2.9Å; S59-L62 PolarHBondContact O-N 3.44Å; S59-H63 WeakPolarHBondContact O-CB 3.44Å; S59-H63 PolarHBondContact O-N 3.26Å
60E88Confident84.2Confident105 Ų10598 Ų9849%0.49150%0.499SS..Hα-helixtrans-65.6-42.2176.1-168.759.5-154.300111.9E56 I57 L62 H63 L64E56-E60 WeakPolarHBondContact O-CB 3.46Å; E56-E60 PolarHBondContact O-N 3.44Å; E56-E60 VanDerWaalsContact O-N 3.07Å; I57-E60 PolarHBondContact O-N 3.22Å; E60-L62 PolarHBondContact O-N 3.5Å; E60-H63 WeakPolarHBondContact O-CB 3.41Å; E60-H63 PolarHBondContact O-N 3.19Å; E60-L64 HydrophobicContact CG-CD1 4.28Å; E60-L64 WeakPolarHBondContact O-CB 3.3Å; E60-L64 WeakPolarHBondContact O-CG 3.43Å; E60-L64 PolarHBondContact O-N 3.45Å
61V86.7Confident84.6Confident52 Ų52100.4 Ų100.432%0.31550%0.503SS..Hα-helixtrans-63-41175.5169.40000111.5I57 W58 L64 R65I57-V61 HydrophobicContact CG2-CG2 4.34Å; I57-V61 WeakPolarHBondContact O-CB 3.48Å; I57-V61 VanDerWaalsContact O-CG2 3.23Å; I57-V61 WeakPolarHBondContact O-CG2 3.42Å; I57-V61 PolarHBondContact O-N 3.25Å; W58-V61 PolarHBondContact O-N 3.4Å; V61-L64 PolarHBondContact O-N 2.91Å; V61-R65 WeakPolarHBondContact O-CB 3.46Å; V61-R65 WeakPolarHBondContact O-CG 3.48Å; V61-R65 PolarHBondContact O-N 3.07Å
62L86.1Confident84.4Confident106 Ų10699.9 Ų99.956%0.55550%0.498SS*.Hα-helixtrans-65.6-40.4174.9-74.6171.6000111.4W58 S59 E60 R65 S66W58-L62 WeakPolarHBondContact O-CB 3.5Å; W58-L62 VanDerWaalsContact O-CG 3.3Å; W58-L62 WeakPolarHBondContact O-CG 3.23Å; W58-L62 PolarHBondContact O-N 3.37Å; S59-L62 PolarHBondContact O-N 3.44Å; E60-L62 PolarHBondContact O-N 3.5Å; L62-R65 PolarHBondContact O-N 3.39Å; L62-S66 PolarHBondContact O-N 3.43Å
63H87.7Confident84.2Confident107 Ų10799.8 Ų99.850%0.49550%0.498SS..Hα-helixtrans-60.4-50.2174.9-174.2-102.1000110.9S59 E60 R65 S66 V67S59-H63 WeakPolarHBondContact O-CB 3.44Å; S59-H63 PolarHBondContact O-N 3.26Å; E60-H63 WeakPolarHBondContact O-CB 3.41Å; E60-H63 PolarHBondContact O-N 3.19Å; H63-R65 VanDerWaalsContact C-N 3.34Å; H63-R65 PolarHBondContact O-N 3.36Å; H63-S66 WeakPolarHBondContact O-CB 3.43Å; H63-S66 PolarHBondContact O-N 2.98Å; H63-S66 PolarHBondContact O-OG 3.48Å; H63-V67 WeakPolarHBondContact O-CG2 3.4Å; H63-V67 PolarHBondContact O-N 2.95Å
64L87.4Confident83.9Confident102 Ų102104.5 Ų104.553%0.53451%0.511SS..Hα-helixtrans-58.4-41.2175.8-77.1162000112.8E60 V61 V67 R68E60-L64 HydrophobicContact CG-CD1 4.28Å; E60-L64 WeakPolarHBondContact O-CB 3.3Å; E60-L64 WeakPolarHBondContact O-CG 3.43Å; E60-L64 PolarHBondContact O-N 3.45Å; V61-L64 PolarHBondContact O-N 2.91Å; L64-V67 PolarHBondContact O-N 3.21Å; L64-R68 WeakPolarHBondContact O-CB 3.47Å; L64-R68 PolarHBondContact O-N 2.67Å
65R89Confident83.7Confident158 Ų158106.1 Ų106.160%0.59651%0.513SS*.Hα-helixtrans-62-42.1173.9-79-179.8173.8-171.1-1111.8V61 L62 H63 R68 A69V61-R65 WeakPolarHBondContact O-CB 3.46Å; V61-R65 WeakPolarHBondContact O-CG 3.48Å; V61-R65 PolarHBondContact O-N 3.07Å; L62-R65 PolarHBondContact O-N 3.39Å; H63-R65 VanDerWaalsContact C-N 3.34Å; H63-R65 PolarHBondContact O-N 3.36Å; R65-R68 PolarHBondContact O-N 3.32Å; R65-A69 WeakPolarHBondContact O-CB 3.15Å; R65-A69 PolarHBondContact O-N 2.94Å
66S86.6Confident83.2Confident48 Ų48107.5 Ų107.534%0.33652%0.517SS..Hα-helixtrans-65.2-40.4177.983.70000112.4L62 H63 A69 K70L62-S66 PolarHBondContact O-N 3.43Å; H63-S66 WeakPolarHBondContact O-CB 3.43Å; H63-S66 PolarHBondContact O-N 2.98Å; H63-S66 PolarHBondContact O-OG 3.48Å; S66-A69 PolarHBondContact O-N 2.95Å; S66-K70 WeakPolarHBondContact O-CG 3.38Å; S66-K70 PolarHBondContact O-N 3.29Å
67V89Confident82.5Confident73 Ų73104.4 Ų104.444%0.44251%0.51SS..Hα-helixtrans-64.8-43.9176.5172.70000110.4H63 L64 A69 K70 R71H63-V67 WeakPolarHBondContact O-CG2 3.4Å; H63-V67 PolarHBondContact O-N 2.95Å; L64-V67 PolarHBondContact O-N 3.21Å; V67-A69 PolarHBondContact O-N 3.28Å; V67-K70 PolarHBondContact O-N 3.45Å; V67-R71 PolarHBondContact O-N 3.22Å
68R87.1Confident81.4Confident158 Ų158101.5 Ų101.560%0.59650%0.501SS*.Hα-helixtrans-64.5-40.5177.3-165178.8-179157.3-2.1112L64 R65 R71 Y72L64-R68 WeakPolarHBondContact O-CB 3.47Å; L64-R68 PolarHBondContact O-N 2.67Å; R65-R68 PolarHBondContact O-N 3.32Å; R68-R71 PolarHBondContact O-N 2.97Å; R68-Y72 HydrophobicContact CG-CD2 4Å; R68-Y72 HydrophobicContact CG-CE2 3.5Å; R68-Y72 PolarHBondContact NE-OH 2.92Å; R68-Y72 VanDerWaalsContact NE-OH 3.1Å; R68-Y72 PolarHBondContact NH2-OH 3.4Å; R68-Y72 WeakPolarHBondContact O-CD2 3.48Å; R68-Y72 PolarHBondContact O-N 2.93Å
69A83.8Confident80.5Confident56 Ų5698 Ų9846%0.46350%0.499SS..Hα-helixtrans-62.1-42.5174.700000112.1R65 S66 V67 R71 Y72 A73R65-A69 WeakPolarHBondContact O-CB 3.15Å; R65-A69 PolarHBondContact O-N 2.94Å; S66-A69 PolarHBondContact O-N 2.95Å; V67-A69 PolarHBondContact O-N 3.28Å; A69-R71 PolarHBondContact O-N 3.45Å; A69-Y72 PolarHBondContact O-N 3.09Å; A69-A73 PolarHBondContact O-N 3.39Å
70K86.5Confident79.4Confident154 Ų15498.5 Ų98.567%0.6750%0.499SS*.Hα-helixtrans-61.6-40.7174.1-73.5176.4-179.3178.10112.2S66 V67 A73 Y74S66-K70 WeakPolarHBondContact O-CG 3.38Å; S66-K70 PolarHBondContact O-N 3.29Å; V67-K70 PolarHBondContact O-N 3.45Å; K70-A73 PolarHBondContact O-N 2.96Å; K70-Y74 PolarHBondContact O-N 3.44Å
71R83.9Confident77.7Confident173 Ų17399.7 Ų99.765%0.65351%0.505SS*.Hα-helixtrans-61.7-46.6176.4-164.5-177.2-162.3157.911.5112V67 R68 A69 A73 Y74 E75V67-R71 PolarHBondContact O-N 3.22Å; R68-R71 PolarHBondContact O-N 2.97Å; A69-R71 PolarHBondContact O-N 3.45Å; R71-A73 VanDerWaalsContact C-N 3.32Å; R71-A73 PolarHBondContact O-N 2.85Å; R71-Y74 PolarHBondContact O-N 3.32Å; R71-E75 IonicContact NE-OE1 3.45Å; R71-E75 PolarHBondContact NE-OE1 3.49Å; R71-E75 PolarHBondContact O-N 3.37Å
72Y78.8Confident76.1Confident124 Ų124102.5 Ų102.549%0.48652%0.522SS..Hα-helixtrans-63.2-36.6176.1-72.5-54.2000112.8R68 A69 S76R68-Y72 HydrophobicContact CG-CD2 4Å; R68-Y72 HydrophobicContact CG-CE2 3.5Å; R68-Y72 PolarHBondContact NE-OH 2.92Å; R68-Y72 VanDerWaalsContact NE-OH 3.1Å; R68-Y72 PolarHBondContact NH2-OH 3.4Å; R68-Y72 WeakPolarHBondContact O-CD2 3.48Å; R68-Y72 PolarHBondContact O-N 2.93Å; A69-Y72 PolarHBondContact O-N 3.09Å; Y72-S76 WeakPolarHBondContact O-CB 3.44Å; Y72-S76 PolarHBondContact O-N 3.47Å; Y72-S76 PolarHBondContact O-OG 2.91Å
73A78.2Confident74.5Confident52 Ų52104.9 Ų104.943%0.4353%0.528SS..Hα-helixtrans-64.2-40.3173.800000112A69 K70 R71 S76 S77A69-A73 PolarHBondContact O-N 3.39Å; K70-A73 PolarHBondContact O-N 2.96Å; R71-A73 VanDerWaalsContact C-N 3.32Å; R71-A73 PolarHBondContact O-N 2.85Å; A73-S76 WeakPolarHBondContact CA-OG 3.37Å; A73-S76 PolarHBondContact O-OG 3.26Å; A73-S77 WeakPolarHBondContact O-CB 3.46Å; A73-S77 PolarHBondContact O-N 2.9Å; A73-S77 PolarHBondContact O-OG 2.92Å
74Y76.4Confident72.8Confident178 Ų178106.4 Ų106.470%0.69853%0.533SS*.Hα-helixtrans-68.6-45.3176.5-171.1-97.6000112.5K70 R71 S76 S77 A78K70-Y74 PolarHBondContact O-N 3.44Å; R71-Y74 PolarHBondContact O-N 3.32Å; Y74-S76 VanDerWaalsContact C-N 3.34Å; Y74-S76 PolarHBondContact O-N 2.87Å; Y74-S77 WeakPolarHBondContact O-CB 3.5Å; Y74-S77 PolarHBondContact O-N 3.44Å; Y74-A78 WeakPolarHBondContact O-CB 3.38Å; Y74-A78 PolarHBondContact O-N 3.43Å
75E75.6Confident71Confident88 Ų88106.5 Ų106.541%0.41153%0.534SS..Hα-helixtrans-64.3-37.3179.2-75171.9-174.300112.5R71 S79R71-E75 IonicContact NE-OE1 3.45Å; R71-E75 PolarHBondContact NE-OE1 3.49Å; R71-E75 PolarHBondContact O-N 3.37Å; E75-S79 WeakPolarHBondContact O-CB 3.4Å; E75-S79 PolarHBondContact O-N 3.4Å; E75-S79 VanDerWaalsContact O-N 3.09Å; E75-S79 PolarHBondContact O-OG 3.07Å
76S72.1Confident69.1Low68 Ų68101.5 Ų101.548%0.47653%0.532SS..Hα-helixtrans-69.3-36.7173.354.30000112.4Y72 A73 Y74 V80Y72-S76 WeakPolarHBondContact O-CB 3.44Å; Y72-S76 PolarHBondContact O-N 3.47Å; Y72-S76 PolarHBondContact O-OG 2.91Å; A73-S76 WeakPolarHBondContact CA-OG 3.37Å; A73-S76 PolarHBondContact O-OG 3.26Å; Y74-S76 VanDerWaalsContact C-N 3.34Å; Y74-S76 PolarHBondContact O-N 2.87Å; S76-V80 WeakPolarHBondContact O-CG2 3.46Å; S76-V80 PolarHBondContact O-N 2.88Å
77S68.3Low67.3Low69 Ų69106.1 Ų106.148%0.48355%0.546SS..Hα-helixtrans-66.4-46.1175.2-55.40000111.8A73 Y74 S79 V80 E81A73-S77 WeakPolarHBondContact O-CB 3.46Å; A73-S77 PolarHBondContact O-N 2.9Å; A73-S77 PolarHBondContact O-OG 2.92Å; Y74-S77 WeakPolarHBondContact O-CB 3.5Å; Y74-S77 PolarHBondContact O-N 3.44Å; S77-S79 VanDerWaalsContact C-N 3.3Å; S77-S79 PolarHBondContact O-N 3.39Å; S77-V80 PolarHBondContact O-N 3.16Å; S77-V80 VanDerWaalsContact O-N 3.09Å; S77-E81 PolarHBondContact O-N 2.85Å
78A61.8Low65.2Low39 Ų39109.7 Ų109.732%0.32256%0.558SS.*Hα-helixtrans-62.7-36.4177.400000112.3Y74 V80 E81 V82Y74-A78 WeakPolarHBondContact O-CB 3.38Å; Y74-A78 PolarHBondContact O-N 3.43Å; A78-V80 VanDerWaalsContact C-N 3.25Å; A78-V80 PolarHBondContact O-N 3.23Å; A78-E81 PolarHBondContact O-N 3.46Å; A78-V82 PolarHBondContact O-N 2.86Å
79S57.2Low63.2Low78 Ų78111.8 Ų111.855%0.54557%0.571SS.*Hα-helixtrans-67.6-23.4176-63.10000113.5E75 S77E75-S79 WeakPolarHBondContact O-CB 3.4Å; E75-S79 PolarHBondContact O-N 3.4Å; E75-S79 VanDerWaalsContact O-N 3.09Å; E75-S79 PolarHBondContact O-OG 3.07Å; S77-S79 VanDerWaalsContact C-N 3.3Å; S77-S79 PolarHBondContact O-N 3.39Å
80V56.7Low61.5Low81 Ų81112.9 Ų112.949%0.49158%0.58SS.*Hα-helixtrans-81.3-34.2175.5173.40000111.4S76 S77 A78 K83 K84S76-V80 WeakPolarHBondContact O-CG2 3.46Å; S76-V80 PolarHBondContact O-N 2.88Å; S77-V80 PolarHBondContact O-N 3.16Å; S77-V80 VanDerWaalsContact O-N 3.09Å; A78-V80 VanDerWaalsContact C-N 3.25Å; A78-V80 PolarHBondContact O-N 3.23Å; V80-K83 PolarHBondContact O-N 2.95Å; V80-K84 HydrophobicContact CG1-CD 4.46Å; V80-K84 PolarHBondContact O-N 3.48Å
81E52.5Low59.6Low129 Ų129113.5 Ų113.560%0.60359%0.586SS**Hα-helixtrans-69.4-39.5179.3-115.2160.7-176.400112.7S77 A78 K83 K84 N85S77-E81 PolarHBondContact O-N 2.85Å; A78-E81 PolarHBondContact O-N 3.46Å; E81-K83 VanDerWaalsContact C-N 3.27Å; E81-K83 PolarHBondContact O-N 2.94Å; E81-K84 PolarHBondContact O-N 3.37Å; E81-N85 PolarHBondContact O-N 3.41Å
82V52.9Low57.7Low112 Ų112115 Ų11568%0.67960%0.6SS**Hα-helixtrans-63.2-35174.4179.10000111.5A78 G86A78-V82 PolarHBondContact O-N 2.86Å; V82-G86 PolarHBondContact O-N 3.41Å; V82-G86 VanDerWaalsContact O-N 3.16Å
83K52.7Low55.8Low155 Ų155112.5 Ų112.567%0.67461%0.612SS**Hα-helixtrans-77.4-23.8176.6-79.9-177.9177.7174.80114V80 E81 K87V80-K83 PolarHBondContact O-N 2.95Å; E81-K83 VanDerWaalsContact C-N 3.27Å; E81-K83 PolarHBondContact O-N 2.94Å; K83-K87 WeakPolarHBondContact O-CB 3.39Å; K83-K87 VanDerWaalsContact O-CG 3.32Å; K83-K87 WeakPolarHBondContact O-CG 3.32Å
84K52.2Low53.9Low139 Ų139113.7 Ų113.760%0.60463%0.629SS**Hα-helixtrans-77.8-41.5174.1-81.3-178.4176.4178.20111.4V80 E81 K87 Q88V80-K84 HydrophobicContact CG1-CD 4.46Å; V80-K84 PolarHBondContact O-N 3.48Å; E81-K84 PolarHBondContact O-N 3.37Å; K84-K87 PolarHBondContact O-N 3.48Å; K84-Q88 PolarHBondContact O-N 3.33Å
85N49.5Very low52.2Low105 Ų105112.1 Ų112.156%0.56163%0.633SS**Hα-helixtrans-73.3-29.1179.6-65.3-5000112.4E81E81-N85 PolarHBondContact O-N 3.41Å
86G48.7Very low50.3Low53 Ų53118.6 Ų118.655%0.54665%0.654SS.*THydrogen-bonded Turntrans-77-14.5172.500000115.4V82V82-G86 PolarHBondContact O-N 3.41Å; V82-G86 VanDerWaalsContact O-N 3.16Å
87K49.4Very low49Very low145 Ų145124 Ų12463%0.6367%0.671SS**THydrogen-bonded Turntrans-99.2-16.3179.5-77.6-176.5176.8-170.10114.1K83 K84 F89K83-K87 WeakPolarHBondContact O-CB 3.39Å; K83-K87 VanDerWaalsContact O-CG 3.32Å; K83-K87 WeakPolarHBondContact O-CG 3.32Å; K84-K87 PolarHBondContact O-N 3.48Å; K87-F89 VanDerWaalsContact C-N 3.3Å; K87-F89 PolarHBondContact O-N 3.36Å
88Q45.6Very low47.6Very low148 Ų148131.9 Ų131.969%0.69269%0.69SS**THydrogen-bonded Turntrans-75.7-15.4175.7-79.2-178-34.200113.7K84K84-Q88 PolarHBondContact O-N 3.33Å
89F44.7Very low46.3Very low201 Ų201133.3 Ų133.388%0.88271%0.709SS**THydrogen-bonded Turntrans-93.83.6174.2-87.6-83.4000114.8K87K87-F89 VanDerWaalsContact C-N 3.3Å; K87-F89 PolarHBondContact O-N 3.36Å
90A47.8Very low45.6Very low79 Ų79139 Ų13965%0.65373%0.727SS**SBendtrans-127.522.2-17500000113.9
91Q46.3Very low44.9Very low167 Ų167144.6 Ų144.678%0.7874%0.744SS**  trans-110.39.3-174-101.9-173.7-8.600116.2
92E44.1Very low44.6Very low206 Ų206144.5 Ų144.596%0.96376%0.755SS**SBendtrans-94.385.6161.5-82.8-172.5154.200109.7
93G38.6Very low43.9Very low71 Ų71142.7 Ų142.773%0.73276%0.759SS**SBendtrans150.5105.5170.700000114.1
94G39.9Very low43.4Very low77 Ų77142 Ų14279%0.79477%0.768SS**  trans91.384.8146.300000117.6
95N40.3Very low43.1Very low145 Ų145143.9 Ų143.978%0.77578%0.781SS**  57.5108.1126.3-132-1.3000120.5
96R34.5Very low42.7Very low224 Ų224144.7 Ų144.785%0.84579%0.791SS**  trans23.7114.8140.4-70175.9174.2167.2-0.2117.8
97Q46Very low42.7Very low180 Ų180150.5 Ų150.584%0.84181%0.806SS**  -165.7122.1124.2-103.816746.100113.3
98R38.8Very low42.7Very low235 Ų235149.4 Ų149.489%0.88781%0.814SS**  trans17.8115.2151.8-73.9177.9-99.2-154.9-4.5120.2
99G34.3Very low42.4Very low69 Ų69148.8 Ų148.871%0.71182%0.823SS**  75.1105.3117.900000118.7
100H41.9Very low42Very low198 Ų198142.5 Ų142.592%0.91782%0.815SS**  trans-173.2122.7132.2-105.5-77.8000109.3
101K42.3Very low41.6Very low198 Ų198146.7 Ų146.786%0.86183%0.826SS**PPolyproline II helixtrans-67.4141.1171.4-73.6178.1175.4179.70109.5G103K101-G103 PolarHBondContact O-N 2.95Å
102P47.1Very low41.4Very low128 Ų128150.3 Ų150.383%0.83183%0.832SS**PPolyproline II helixtrans-73.4125.8168.310.62.1000109.6
103G38.1Very low41.6Very low73 Ų73145.4 Ų145.475%0.75382%0.818SS**PPolyproline II helixtrans-64.8134.8-178.200000113.2K101 M105K101-G103 PolarHBondContact O-N 2.95Å; G103-M105 PolarHBondContact O-N 3.34Å
104V41.5Very low41.9Very low142 Ų142147.4 Ų147.486%0.86182%0.818SS**  trans-74.3111.9161.5-175.60000106.2
105M46.1Very low41.6Very low178 Ų178147.3 Ų147.388%0.87782%0.817SS**PPolyproline II helixtrans-71.2128.7172.9-67.2-128.5-16300109.2G103G103-M105 PolarHBondContact O-N 3.34Å
106P41.5Very low41.5Very low121 Ų121149 Ų14979%0.78682%0.818SS**PPolyproline II helixtrans-76.9138175.331.7-30.5000109.7
107M47.5Very low41.7Very low175 Ų175146 Ų14686%0.86282%0.819SS**PPolyproline II helixtrans-69.6145.3170.8-76.8-165149.400110.9
108P50.4Low41.3Very low122 Ų122141.4 Ų141.479%0.79281%0.811SS**PPolyproline II helixtrans-69.1136.3178.827.8-32.8000111.1
109P39Very low41.3Very low136 Ų136136.5 Ų136.588%0.88381%0.81SS**PPolyproline II helixtrans-82.8122.4172.331.6-28.1000109.3
110G35Very low41.2Very low69 Ų69142.6 Ų142.671%0.71182%0.817SS**  trans158.2104.7169.500000114.5
111L41.1Very low41Very low167 Ų167142.4 Ų142.487%0.87482%0.816SS**  trans15884.5137-81.2170.7000107.2P113L111-P113 WeakPolarHBondContact O-CD 3.47Å
112R41.7Very low40.6Very low242 Ų242136.1 Ų136.191%0.91381%0.807SS**PPolyproline II helixtrans-67.8120171.8-163.1-175.9-71.2-144.91.5107
113P47.6Very low40.1Very low104 Ų104137.2 Ų137.268%0.67581%0.812SS**PPolyproline II helixtrans-65.5150.5173.126.9-31.1000109.5L111 G115L111-P113 WeakPolarHBondContact O-CD 3.47Å; P113-G115 PolarHBondContact O-N 3.42Å
114P44.7Very low39.8Very low113 Ų113143.3 Ų143.373%0.73482%0.818SS**PPolyproline II helixtrans-59.9131.3177.925.4-31.6000109.3F116P114-F116 PolarHBondContact O-N 2.98Å
115G34.5Very low39.6Very low75 Ų75145.4 Ų145.477%0.77382%0.818SS**  trans-61.1106.1-176.500000111.7P113P113-G115 PolarHBondContact O-N 3.42Å
116F38.6Very low38.9Very low180 Ų180145.5 Ų145.579%0.78982%0.817SS**  trans-91.9109.4156-95.2-92000107.6P114 A118P114-F116 PolarHBondContact O-N 2.98Å; F116-A118 PolarHBondContact O-N 3.5Å
117N37Very low38.5Very low162 Ų162149.7 Ų149.787%0.86682%0.823SS**  trans-63.6101.4165.1-70.4-40.7000107.6
118A37.8Very low37.9Very low82 Ų82147.8 Ų147.868%0.67882%0.816SS**  trans-76.8134.216300000108.3F116 K120F116-A118 PolarHBondContact O-N 3.5Å; A118-K120 PolarHBondContact O-N 2.95Å
119P40.1Very low37Very low132 Ų132149.3 Ų149.386%0.85782%0.817SS**  trans-67.7124.2177.427.8-30.4000109.1
120K32.3Very low36.9Very low197 Ų197150.2 Ų150.286%0.85781%0.809SS**  trans-88.3113165.9-72.3-178.5177.7179.10107.5A118A118-K120 PolarHBondContact O-N 2.95Å
121E37.8Very low36.9Very low195 Ų195154.5 Ų154.591%0.91181%0.811SS**  trans177.4115.5153.3-99.5160.9-155.400103.7
122G33.2Very low36.8Very low65 Ų65152.8 Ų152.867%0.6781%0.812SS**  cis97.383.94000000107.4
123T37.2Very low36.6Very low151 Ų151145.5 Ų145.593%0.92680%0.804SS**  trans171.3141137.631.60000110.4
124K31Very low36.1Very low202 Ų202145 Ų14588%0.87880%0.803SS**  trans-74.5139.6177.2-64.3162.8170.21770108.9
125E36.5Very low35.9Very low186 Ų186148 Ų14887%0.86981%0.807SS**  trans177.593.2151.1-101.4169.8-168.100104.5
126E32.5Very low36.1Very low180 Ų180150.2 Ų150.284%0.84181%0.806SS**  48.387.182.7-140.7178.5138.800111.3
127F33.8Very low35.9Very low208 Ų208148.9 Ų148.991%0.91281%0.807SS**  trans-153.5138.2147.4-130.2-91.8000111.8
128N33.5Very low36.1Very low135 Ų135150.6 Ų150.672%0.72281%0.81SS**  trans-72.4145.8-154.5-79.3-61.5000115.7
129L32.5Very low36.2Very low154 Ų154154 Ų15481%0.80681%0.812SS**  trans-65.4118.6149.8-174.582.1000108.3
130E37.5Very low36.2Very low155 Ų155157.1 Ų157.172%0.72481%0.806SS**  trans179142.8137.6-107.5174.584.500113.9
131Q34.1Very low36.7Very low160 Ų160151.9 Ų151.975%0.74879%0.793SS**  trans78.1109.4149.8-65.5165.818.700119.4
132S39.1Very low36.8Very low130 Ų130150.6 Ų150.691%0.90979%0.787SS**  trans-155.5100.5130.1-7.10000109.5
133A37.8Very low37.1Very low89 Ų89156.7 Ų156.774%0.73680%0.795SS**  trans-100.9134.5161.900000108.7
134S36.6Very low37.3Very low93 Ų93158.7 Ų158.765%0.6579%0.79SS**  trans55130.7141.857.60000122.5
135E40.4Very low37.7Very low177 Ų177158.6 Ų158.683%0.82779%0.79SS**  trans75138.8135.6-73.2173.4164.100117.4
136T38.8Very low37.8Very low121 Ų121155.9 Ų155.974%0.74279%0.788SS**  cis-160.41622128.70000110.9
137D34.5Very low37.7Very low152 Ų152153 Ų15381%0.81379%0.786SS**  trans-26.9144.9165.1-61.9-75.7000120.4
138E40.9Very low38Very low198 Ų198152 Ų15293%0.92579%0.785SS**  trans-152.4124.9132.9-129-17414000113.2
139E39.7Very low37.8Very low154 Ų154151.4 Ų151.472%0.7279%0.79SS**  trans-50.1149.8169.1-112.2-177.5102.400112.6
140R40.3Very low37.9Very low198 Ų198155.7 Ų155.775%0.74780%0.795SS**  156.6176.370.5-131.4-162.6-165.9-163.2-0.3110.8
141P43.7Very low38Very low87 Ų87157.2 Ų157.257%0.56581%0.805SS**  -141.7-169.9-87.948.9-30.6000116.7
142Q39Very low38Very low168 Ų168158.5 Ų158.579%0.78581%0.811SS**  trans76.1116.1146.7-73.4174.628.900121.2
143K40.5Very low38Very low193 Ų193163.5 Ų163.584%0.83981%0.81SS**  -163.2106.1120.5-109.8168.7-175.5175.40114.1
144K40.9Very low38Very low193 Ų193163.8 Ų163.884%0.83981%0.812SS**  trans59.5117.3132.5-58.5-177.1-180-172.70121.4
145K38.7Very low38Very low200 Ų200169.4 Ų169.487%0.8783%0.825SS**  trans-80.5170.6159.1-62.7179.6177.2179.20111.6
146P39.3Very low37.9Very low129 Ų129170.5 Ų170.584%0.83883%0.827SS**  -145.9170.6102.731-10.2000116.9
147C30.3Very low37.5Very low118 Ų118170 Ų17080%0.79783%0.828SS**  trans-62.5160.3-170.1-46.60000116.1
148E39.9Very low37.8Very low187 Ų187168.6 Ų168.687%0.87483%0.826SS**  162.3151.995.1-134.8173.7165.900112.7
149C28.5Very low37.5Very low124 Ų124163.9 Ų163.984%0.83882%0.822SS**  trans-53.7123.6-170.9-55.90000117.2
150R35.3Very low37.3Very low243 Ų243159.4 Ų159.492%0.91782%0.817SS**  trans-171.8119.9141.6-136.2166.1176.9153.6-1.9111.2
151M39.1Very low37.1Very low188 Ų188155.7 Ų155.793%0.92682%0.818SS**  trans149.478.7150.8-69.4-112.6-172.800109
152E35.3Very low36.7Very low187 Ų187157.6 Ų157.687%0.87483%0.831SS**  trans-63.9153.6155.1-70.3171.5118.600109.9
153R39Very low36.6Very low234 Ų234153 Ų15388%0.88383%0.828SS**  trans92.7113.1-176.9-56.5171.4-161.4-171.94.2112.6
154A36.5Very low36.3Very low96 Ų96152.8 Ų152.879%0.79383%0.83SS**  cis-145.1117.312.400000107.8K156A154-K156 PolarHBondContact O-N 2.71Å
155K37.8Very low36.2Very low210 Ų210149.5 Ų149.591%0.91383%0.828SS**  trans-65.3100.9169.1-77.2179.9178.1178.50107.2C157K155-C157 PolarHBondContact O-N 3.07Å; K155-C157 VanDerWaalsContact O-N 3.1Å
156K38.5Very low36.1Very low201 Ų201143.1 Ų143.187%0.87482%0.82SS**  trans-53.1112169-152.6171.7-171.5-178.60106.5A154A154-K156 PolarHBondContact O-N 2.71Å
157C30.5Very low36.2Very low111 Ų111149 Ų14975%0.7583%0.825SS**PPolyproline II helixtrans-55.4136.1172-63.60000107.7K155 A159K155-C157 PolarHBondContact O-N 3.07Å; K155-C157 VanDerWaalsContact O-N 3.1Å; C157-A159 PolarHBondContact O-N 2.88Å
158P39.9Very low36.6Very low121 Ų121152.2 Ų152.279%0.78683%0.828SS**PPolyproline II helixtrans-55.9143.3172.324.6-32.3000108.9G160P158-G160 PolarHBondContact O-N 2.95Å
159A35.3Very low36.3Very low100 Ų100146.7 Ų146.783%0.82682%0.822SS**PPolyproline II helixtrans-51.6135172.100000108.8C157C157-A159 PolarHBondContact O-N 2.88Å
160G35Very low36.8Very low60 Ų60148.9 Ų148.962%0.61982%0.824SS**PPolyproline II helixtrans-56.3151.7174.800000110.3P158P158-G160 PolarHBondContact O-N 2.95Å
161P35.8Very low37.1Very low120 Ų120143.3 Ų143.378%0.77982%0.819SS**PPolyproline II helixtrans-57.6143.6177.125.4-33.4000109.9G163P161-G163 PolarHBondContact O-N 3.35Å
162P36Very low36.9Very low127 Ų127137.3 Ų137.383%0.82581%0.806SS**PPolyproline II helixtrans-49.6140.6170.7-25.934000110.8
163G35.9Very low37.2Very low71 Ų71133.2 Ų133.273%0.73280%0.804SS**PPolyproline II helixtrans-55.1145.8175.800000111.1P161P161-G163 PolarHBondContact O-N 3.35Å
164Q35.1Very low37.3Very low189 Ų189127.8 Ų127.888%0.88379%0.793SS**PPolyproline II helixtrans-60.2135.9178.8-68.9-178.820.600110G166Q164-G166 PolarHBondContact O-N 3.04Å
165P38.6Very low37.4Very low123 Ų123125.5 Ų125.580%0.79978%0.779SS**PPolyproline II helixtrans-52.1138.3170.9-25.934.3000110.9
166G36.5Very low37.6Very low67 Ų67121.9 Ų121.969%0.69178%0.777SS**PPolyproline II helixtrans-57145.1177.300000111.6Q164 H168Q164-G166 PolarHBondContact O-N 3.04Å; G166-H168 PolarHBondContact O-N 3.1Å
167R41.8Very low37.8Very low251 Ų251118.8 Ų118.895%0.94777%0.77SS**PPolyproline II helixtrans-60.6132.9176.8-68.6-175.5176.5-139.8-0.6109.9
168H37.4Very low38Very low186 Ų186115.9 Ų115.986%0.86176%0.758SS**PPolyproline II helixtrans-56.6139.2171.9-50-69.9000110G166G166-H168 PolarHBondContact O-N 3.1Å
169G33.9Very low37.9Very low72 Ų72117.9 Ų117.974%0.74276%0.761SS**PPolyproline II helixtrans-60148.6177.600000112.1
170L39.4Very low38.1Very low169 Ų169118.8 Ų118.889%0.88576%0.758SS**PPolyproline II helixtrans-58.8140.5176.9-67.7170000110.4G172L170-G172 PolarHBondContact O-N 3.33Å
171P41.5Very low38.2Very low126 Ų126118.7 Ų118.782%0.81876%0.757SS**PPolyproline II helixtrans-54.4136.7173.6-24.533.5000111.4
172G35.7Very low38.4Very low63 Ų63122.6 Ų122.665%0.64976%0.762SS**PPolyproline II helixtrans-59.9144.4178.200000112.2L170L170-G172 PolarHBondContact O-N 3.33Å
173A40.5Very low38.8Very low101 Ų101122.4 Ų122.484%0.83576%0.76SS**PPolyproline II helixtrans-56.6144.1176.200000111.2G175A173-G175 PolarHBondContact O-N 3.03Å
174N42Very low38.8Very low119 Ų119122 Ų12264%0.63676%0.756SS**PPolyproline II helixtrans-59.2132.9173.4-60.1-22.9000109.1R223N174-R223 PolarHBondContact OD1-NH1 3Å; N174-R223 PolarHBondContact OD1-NH2 3.41Å
175G38.6Very low39.1Very low49 Ų49122.4 Ų122.451%0.50576%0.758SS.*PPolyproline II helixtrans-61.6156.3173.200000111.8A173A173-G175 PolarHBondContact O-N 3.03Å
176P42.2Very low39.3Very low134 Ų134126.4 Ų126.487%0.8776%0.757SS**PPolyproline II helixtrans-60.3148.1177.526.2-33.7000111.1
177N41.8Very low39.3Very low136 Ų136126.1 Ų126.173%0.72776%0.755SS**PPolyproline II helixtrans-58.4139.2173.1-67.8-27.9000110
178G35.2Very low39.5Very low49 Ų49123.5 Ų123.551%0.50575%0.753SS.*PPolyproline II helixtrans-59.3148.4174.600000112.1
179I37.7Very low39.8Very low164 Ų164120.7 Ų120.784%0.84174%0.744SS**PPolyproline II helixtrans-64.2131.1179.1-47.6168.5000108.4G181I179-G181 PolarHBondContact O-N 3.29Å
180P40.6Very low40.1Very low118 Ų118121.8 Ų121.877%0.76675%0.747SS**PPolyproline II helixtrans-54.2138.5173.6-25.434.3000111.6
181G36.1Very low40.1Very low58 Ų58122.9 Ų122.960%0.59875%0.747SS**PPolyproline II helixtrans-58.9147.6177.100000112I179I179-G181 PolarHBondContact O-N 3.29Å
182K40.2Very low40Very low203 Ų203123.3 Ų123.388%0.88374%0.742SS**PPolyproline II helixtrans-61.4141176.8-67.9-177.3178.1179.80110.2
183P43.4Very low40Very low122 Ų122128.3 Ų128.379%0.79275%0.753SS**PPolyproline II helixtrans-54.7141.1171.2-23.933.7000111.2
184G37.3Very low40.2Very low63 Ų63129.6 Ų129.665%0.64975%0.75SS**PPolyproline II helixtrans-62147179.400000112.7
185E40.4Very low40.1Very low197 Ų197129 Ų12992%0.92175%0.752SS**PPolyproline II helixtrans-65.1144176.5-65.9-175.6153.700111.1G187E185-G187 PolarHBondContact O-N 3.45Å
186R42.4Very low40.1Very low207 Ų207134.7 Ų134.778%0.78177%0.77SS**PPolyproline II helixtrans-64131.6175.8-175.9-169.1-63177.40.9108.7E188R186-E188 PolarHBondContact O-N 2.98Å
187G38.3Very low40.3Very low62 Ų62132.7 Ų132.764%0.63976%0.764SS**PPolyproline II helixtrans-57.2137.2172.800000111.3E185 D189E185-G187 PolarHBondContact O-N 3.45Å; G187-D189 PolarHBondContact O-N 3.48Å
188E44.2Very low40.6Very low195 Ų195131 Ų13191%0.91176%0.763SS**PPolyproline II helixtrans-59.6131.3-177.8-60.8177.114700111.1R186 A190R186-E188 PolarHBondContact O-N 2.98Å; E188-A190 PolarHBondContact O-N 3.28Å
189D44.2Very low40.9Very low127 Ų127136.2 Ų136.268%0.67978%0.78SS**PPolyproline II helixtrans-62.2128.9176.1-59.7-42.2000109.3G187 Q191G187-D189 PolarHBondContact O-N 3.48Å; D189-Q191 PolarHBondContact O-N 3.4Å
190A39.9Very low41.1Very low95 Ų95133.3 Ų133.379%0.78577%0.773SS**  trans-56.9109.3176.800000109.9E188 L192E188-A190 PolarHBondContact O-N 3.28Å; A190-L192 PolarHBondContact O-N 3.5Å
191Q39.9Very low41.7Very low193 Ų193136.1 Ų136.190%0.90278%0.78SS**  trans-64.8103.5175.5-85.5160.3700109.5D189 L193D189-Q191 PolarHBondContact O-N 3.4Å; Q191-L193 PolarHBondContact O-N 3.3Å
192L39.7Very low42.2Very low135 Ų135140.1 Ų140.171%0.70779%0.786SS**  trans-67.7118.1175.3-137.192.9000109.4A190 L207A190-L192 PolarHBondContact O-N 3.5Å; L192-L207 HydrophobicContact CD1-CD2 4.38Å
193L35.8Very low42.3Very low167 Ų167134.3 Ų134.387%0.87477%0.77SS**  trans-120.669.5175.5-161.388.9000110.6Q191Q191-L193 PolarHBondContact O-N 3.3Å
194V44.1Very low42.2Very low129 Ų129139.9 Ų139.978%0.78278%0.775SS**  trans-151.8135.6163.6-158.50000111.4
195P39.2Very low42.6Very low105 Ų105142.2 Ų142.268%0.68278%0.781SS**  trans-98146-157.138.3-33.7000115.2
196I39.1Very low42.6Very low169 Ų169138.1 Ų138.187%0.86777%0.773SS**  trans15.9111.9147.736.3170.5000119
197A46.5Very low42.5Very low92 Ų92134.7 Ų134.776%0.7677%0.77SS**  trans-165.8120.2130.600000111.2
198S48.5Very low42.4Very low101 Ų101138.2 Ų138.271%0.70677%0.774SS**  trans68.9101.2142.9-54.70000120
199D42.2Very low42.2Very low158 Ų158132.4 Ų132.485%0.84577%0.766SS**  72.670.6126.6-43.8-29.1000118.2
200C41.3Very low42Very low103 Ų103130.7 Ų130.770%0.69677%0.77SS**  trans-149.5114.5145.9-147.20000111.9I202C200-I202 PolarHBondContact O-N 3.39Å
201I52.6Low42Very low178 Ų178131.3 Ų131.391%0.91377%0.766SS**THydrogen-bonded Turntrans-74.2-0.1-178.8-78.4169.8000112.9
202I46.8Very low42Very low142 Ų142125.5 Ų125.573%0.72876%0.757SS**THydrogen-bonded Turntrans-109.4-8.8-165.2-62.1178.4000115C200C200-I202 PolarHBondContact O-N 3.39Å
203C42.4Very low42Very low81 Ų81128 Ų12855%0.54777%0.765SS.*  trans-132.321.3-167.9-65.90000118S205C203-S205 PolarHBondContact O-N 2.99Å
204R40.8Very low42.3Very low239 Ų239125.4 Ų125.490%0.90276%0.759SS**THydrogen-bonded Turntrans-73.2-8.6175.9-157.6164.9-175.7173.70.9114.2
205S46.3Very low42Very low112 Ų112121.9 Ų121.978%0.78375%0.749SS**THydrogen-bonded Turntrans-90-4.5-178.8-44.50000114.5C203C203-S205 PolarHBondContact O-N 2.99Å
206C40.9Very low42.1Very low111 Ų111122.8 Ų122.875%0.7575%0.754SS**SBendtrans-109.5-0.5-171.4-62.40000115
207L39.9Very low42.3Very low134 Ų134120.8 Ų120.870%0.70275%0.752SS**SBendtrans-99.7-4.5179.4-144.880.4000114.1L192L192-L207 HydrophobicContact CD1-CD2 4.38Å
208N36.7Very low42Very low137 Ų137118.8 Ų118.873%0.73374%0.741SS**SBendtrans-104.5102.3175.5-74.710.8000108.9
209G39.4Very low41.7Very low72 Ų72120 Ų12074%0.74275%0.746SS**PPolyproline II helixtrans-57139.9165.600000109.9
210A39.4Very low41.7Very low92 Ų92119.7 Ų119.776%0.7674%0.74SS**PPolyproline II helixtrans-53.4138.2179.600000110.5G212A210-G212 PolarHBondContact O-N 3.05Å
211P41.4Very low41.6Very low107 Ų107117.3 Ų117.370%0.69573%0.733SS**PPolyproline II helixtrans-51.5136.2173.8-26.133.8000110.9
212G38.2Very low41.1Very low71 Ų71117.1 Ų117.173%0.73273%0.733SS**PPolyproline II helixtrans-56144.217500000111.1A210A210-G212 PolarHBondContact O-N 3.05Å
213Q40.4Very low41.1Very low187 Ų187118.1 Ų118.187%0.87473%0.727SS**PPolyproline II helixtrans-62.2143.1177.2-68.3-17212.900110.5G215Q213-G215 PolarHBondContact O-N 2.95Å
214P41.3Very low41Very low114 Ų114116.6 Ų116.674%0.7473%0.725SS**PPolyproline II helixtrans-53.4139.7171.8-24.934000111.3
215G38Very low41.2Very low55 Ų55111 Ų11157%0.56772%0.72SS**PPolyproline II helixtrans-60.3156.9173.900000112.1Q213Q213-G215 PolarHBondContact O-N 2.95Å
216P41.7Very low41.3Very low123 Ų123111.3 Ų111.380%0.79972%0.719SS**PPolyproline II helixtrans-61.7152.5177.627.3-34.6000111.3
217P43.5Very low41.3Very low127 Ų127108.8 Ų108.883%0.82571%0.711SS**PPolyproline II helixtrans-53.9142.6172.9-24.433.7000111.9
218G39.7Very low41.6Very low51 Ų51113.9 Ų113.953%0.52672%0.721SS.*PPolyproline II helixtrans-60.4159.1174.400000112.5
219P42.5Very low42.2Very low125 Ų125112 Ų11281%0.81273%0.725SS**PPolyproline II helixtrans-61.1148.6179.226.8-34.4000111.5G221P219-G221 PolarHBondContact O-N 3.48Å
220Q43.1Very low42.2Very low153 Ų153111.3 Ų111.372%0.71572%0.717SS**PPolyproline II helixtrans-60.3132.1174-173.8175.1-4.400110
221G39.7Very low42.6Very low53 Ų53112.9 Ų112.955%0.54672%0.717SS.*PPolyproline II helixtrans-57.4146.5176.400000112.1P219P219-G221 PolarHBondContact O-N 3.48Å
222L42Very low43Very low173 Ų173113.2 Ų113.291%0.90672%0.72SS**PPolyproline II helixtrans-62.9141178.3-66.3174.1000110.7G224L222-G224 PolarHBondContact O-N 3.27Å
223R45Very low43.2Very low164 Ų164112.2 Ų112.262%0.61971%0.709SS**PPolyproline II helixtrans-60.8130.6172.2-178.8179.1167.1162.71.7109.3N174N174-R223 PolarHBondContact OD1-NH1 3Å; N174-R223 PolarHBondContact OD1-NH2 3.41Å
224G42.3Very low43.5Very low48 Ų48108.2 Ų108.250%0.49570%0.702SS.*PPolyproline II helixtrans-57.9155174.500000112.4L222L222-G224 PolarHBondContact O-N 3.27Å
225P44.9Very low44Very low122 Ų122110.3 Ų110.379%0.79271%0.707SS**PPolyproline II helixtrans-60.3152.9178.726.6-34.2000111.3
226P46.6Very low44.1Very low119 Ų119110.2 Ų110.277%0.77371%0.706SS**PPolyproline II helixtrans-54.3145170.8-23.333.4000111.5
227G40.9Very low44.5Very low57 Ų57108.8 Ų108.859%0.58871%0.705SS**PPolyproline II helixtrans-57152.8172.700000111.7
228R47.3Very low44.8Very low242 Ų242107.5 Ų107.591%0.91371%0.705SS**PPolyproline II helixtrans-62.2143.3175.5-68.5-175.7177.1-174.60.4110
229A49.1Very low44.9Very low97 Ų97107.5 Ų107.580%0.80270%0.704SS**PPolyproline II helixtrans-59140.5172.300000110.2
230G40.1Very low45.3Very low57 Ų57106.3 Ų106.359%0.58870%0.699SS**PPolyproline II helixtrans-60.2149.9173.600000111.3
231V46.9Very low45.9Very low125 Ų125105 Ų10576%0.75870%0.704SS**PPolyproline II helixtrans-66.2135.2175-172.60000108.6
232P50.3Low45.9Very low115 Ų115104.8 Ų104.875%0.74770%0.702SS**PPolyproline II helixtrans-52.8140.8171.9-25.634.7000111.2
233G41.1Very low46.6Very low49 Ų49105.2 Ų105.251%0.50570%0.699SS.*PPolyproline II helixtrans-58.8147.6173.600000110.7
234S46.8Very low47Very low104 Ų104106.1 Ų106.173%0.72771%0.712SS**PPolyproline II helixtrans-61.6142.3173.8540000110.8
235D52.2Low47.1Very low158 Ų158105.6 Ų105.685%0.84571%0.706SS**PPolyproline II helixtrans-54.8139.9172.3-68-29.7000110.7
236G40.7Very low47.5Very low53 Ų53107.3 Ų107.355%0.54671%0.708SS.*PPolyproline II helixtrans-61.8144.8176.100000111
237A48.9Very low48.1Very low93 Ų93107.6 Ų107.677%0.76971%0.71SS**PPolyproline II helixtrans-56.5141.4176.300000111.3G239A237-G239 PolarHBondContact O-N 3.19Å
238A51.2Low48.2Very low100 Ų100106.3 Ų106.383%0.82670%0.697SS**PPolyproline II helixtrans-59.4137.6175.500000110.6
239G40.7Very low48.6Very low50 Ų50100.6 Ų100.652%0.51569%0.691SS.*PPolyproline II helixtrans-60.1144.2175.300000111.5A237A237-G239 PolarHBondContact O-N 3.19Å
240S51.1Low48.9Very low101 Ų101104.7 Ų104.771%0.70669%0.694SS**PPolyproline II helixtrans-59.3142175.851.60000111.3
241P55.3Low49Very low126 Ų126103.8 Ų103.882%0.81868%0.684SS**PPolyproline II helixtrans-53.4141.3171.7-24.633.9000111.4
242G41.1Very low49.3Very low48 Ų48107.1 Ų107.150%0.49569%0.691SS.*PPolyproline II helixtrans-62.9149.5174.600000111.7
243E56.9Low49.7Very low181 Ų181109.2 Ų109.285%0.84670%0.695SS**PPolyproline II helixtrans-58.3142.6176.1-66.8-176.315700111.4G245E243-G245 PolarHBondContact O-N 3.01Å
244M53.5Low49.8Very low184 Ų184109.3 Ų109.391%0.90670%0.696SS**PPolyproline II helixtrans-65.8129.3174.7178.9169.350.300109.4
245G42.8Very low50.4Low36 Ų36113.8 Ų113.837%0.37170%0.702SS.*PPolyproline II helixtrans-61148.1177.400000112.3E243E243-G245 PolarHBondContact O-N 3.01Å
246L55Low51Low158 Ų158112.3 Ų112.383%0.82770%0.701SS**PPolyproline II helixtrans-59.5146.4178.2-65.5170.7000111.4
247P58.2Low51.3Low125 Ų125112.5 Ų112.581%0.81270%0.703SS**PPolyproline II helixtrans-54.3139.8171.3-24.133.5000111.5
248G43.7Very low51.6Low30 Ų30117 Ų11731%0.30971%0.71SS.*PPolyproline II helixtrans-62156.317400000112.1
249P54.6Low51.9Low123 Ų123121.7 Ų121.780%0.79971%0.712SS**PPolyproline II helixtrans-60.4148.2177.526.2-34.2000111.5G251P249-G251 PolarHBondContact O-N 2.93Å
250Q56.4Low52.3Low183 Ų183122 Ų12286%0.85572%0.715SS**PPolyproline II helixtrans-59.6131173.9-178.7175.8-1300109.9
251G41.3Very low52.4Low37 Ų37128.9 Ų128.938%0.38173%0.726SS.*PPolyproline II helixtrans-60.1147.4177.500000112.5P249P249-G251 PolarHBondContact O-N 2.93Å
252E53Low52.2Low195 Ų195129.7 Ų129.791%0.91172%0.723SS**PPolyproline II helixtrans-58.8143.7178.9-64.8-174.2157.200112G254E252-G254 PolarHBondContact O-N 3.43Å
253I59.3Low52.6Low160 Ų160131 Ų13182%0.82174%0.736SS**PPolyproline II helixtrans-65.5125.3175.5-62.9169.8000108.6
254G43.3Very low52.3Low51 Ų51128.4 Ų128.453%0.52673%0.733SS.*PPolyproline II helixtrans-56.3139.4176.400000112.1E252E252-G254 PolarHBondContact O-N 3.43Å
255K58.7Low52.2Low198 Ų198126.7 Ų126.786%0.86173%0.728SS**PPolyproline II helixtrans-57.7145.3179.1-66.4-178.8-179.8178.40111.1G257K255-G257 PolarHBondContact O-N 3.31Å
256P64.6Low52.4Low127 Ų127130.5 Ų130.583%0.82576%0.755SS**PPolyproline II helixtrans-53.3140.1174.3-2533.6000111.9
257G48.4Very low52.2Low56 Ų56131.2 Ų131.258%0.57775%0.754SS**PPolyproline II helixtrans-58.5144.7175.900000111.7K255 K259K255-G257 PolarHBondContact O-N 3.31Å; G257-K259 PolarHBondContact O-N 3.01Å
258M54.8Low51.6Low189 Ų189136.9 Ų136.993%0.93176%0.76SS**PPolyproline II helixtrans-58.8137.5176.2-71.7177.168.200110.6G260M258-G260 PolarHBondContact O-N 3.01Å
259K58.1Low51.9Low198 Ų198141.7 Ų141.786%0.86178%0.783SS**PPolyproline II helixtrans-60.3126.3174.3-165.7174.9-176.3179.10108.8G257 R261G257-K259 PolarHBondContact O-N 3.01Å; K259-R261 PolarHBondContact O-N 2.78Å
260G49.4Very low52Low56 Ų56143 Ų14358%0.57778%0.781SS**PPolyproline II helixtrans-55.3134.9176.800000111M258 N262M258-G260 PolarHBondContact O-N 3.01Å; G260-N262 PolarHBondContact O-N 3.38Å
261R53.1Low51.7Low246 Ų246137.4 Ų137.493%0.92877%0.773SS**PPolyproline II helixtrans-61.1127.3177-169.3164.179.5170.75.2108.7K259 G263K259-R261 PolarHBondContact O-N 2.78Å; R261-G263 PolarHBondContact O-N 3.38Å; R261-G263 VanDerWaalsContact O-N 3.11Å
262N51.4Low52.2Low143 Ų143142.1 Ų142.177%0.76579%0.794SS**PPolyproline II helixtrans-54.9118.1175.9-72.7-10000109.3G260 T264G260-N262 PolarHBondContact O-N 3.38Å; N262-T264 PolarHBondContact O-N 3.32Å
263G48.2Very low52.4Low75 Ų75142.2 Ų142.277%0.77379%0.791SS**  trans-74.7109.4170.800000109.3R261 N265R261-G263 PolarHBondContact O-N 3.38Å; R261-G263 VanDerWaalsContact O-N 3.11Å; G263-N265 VanDerWaalsContact C-N 3.3Å; G263-N265 PolarHBondContact O-N 3.48Å; G263-N265 VanDerWaalsContact O-N 3.11Å
264T50.3Low52Low127 Ų127136.8 Ų136.878%0.77978%0.775SS**SBendtrans-7490.6160.350.50000106.9N262N262-T264 PolarHBondContact O-N 3.32Å
265N52.3Low52.5Low148 Ų148142.6 Ų142.679%0.79179%0.793SS**SBendtrans158.2107.6153.3-78.3-14.9000109G263 E267G263-N265 VanDerWaalsContact C-N 3.3Å; G263-N265 PolarHBondContact O-N 3.48Å; G263-N265 VanDerWaalsContact O-N 3.11Å; N265-E267 PolarHBondContact O-N 3.49Å
266A45.7Very low52.4Low115 Ų115144.5 Ų144.595%0.9580%0.795SS**SBendtrans22.42.9155.500000124.7
267E51.9Low51.6Low173 Ų173140.5 Ų140.581%0.80878%0.777SS**SBendtrans-110.3122.8173.6-99.4160.2146.800111.2N265 V269N265-E267 PolarHBondContact O-N 3.49Å; E267-V269 VanDerWaalsContact C-N 3.32Å; E267-V269 PolarHBondContact O-N 3.5Å
268R45Very low51.8Low245 Ų245145.3 Ų145.393%0.92579%0.789SS**  trans-56.488.8176.5-87.6-178-82.1-101.5-3.4110.4I270R268-I270 PolarHBondContact O-N 3.25Å
269V50.9Low51.9Low130 Ų130142.2 Ų142.279%0.78878%0.783SS**  trans-87.399.6164.5-175.20000107.3E267 G271E267-V269 VanDerWaalsContact C-N 3.32Å; E267-V269 PolarHBondContact O-N 3.5Å; V269-G271 PolarHBondContact O-N 2.88Å
270I56Low51.2Low151 Ų151134.8 Ų134.877%0.77476%0.763SS**  trans-56.5119.3168.1-66.3168.5000107R268 V272R268-I270 PolarHBondContact O-N 3.25Å; I270-V272 PolarHBondContact O-N 3.09Å
271G49.2Very low51.2Low65 Ų65138.1 Ų138.167%0.6777%0.774SS**  trans-56.1112174.500000109.7V269 K273V269-G271 PolarHBondContact O-N 2.88Å; G271-K273 PolarHBondContact O-N 3.38Å
272V53.2Low51Low137 Ų137135.1 Ų135.183%0.8377%0.773SS**PPolyproline II helixtrans-62121.2179.4-148.90000107.7I270 G274I270-V272 PolarHBondContact O-N 3.09Å; V272-G274 PolarHBondContact O-N 2.65Å
273K56.4Low50.5Low196 Ų196130.1 Ų130.185%0.85276%0.755SS**PPolyproline II helixtrans-52.5126.1174.6-178.1176.1179.61760108.2G271 L275G271-K273 PolarHBondContact O-N 3.38Å; K273-L275 PolarHBondContact O-N 3.18Å
274G50.7Low50.3Low47 Ų47133 Ų13349%0.48575%0.752SS.*PPolyproline II helixtrans-50.7135178.400000110.9V272V272-G274 PolarHBondContact O-N 2.65Å
275L54.3Low50.3Low173 Ų173136.1 Ų136.191%0.90676%0.758SS**PPolyproline II helixtrans-55140177.1-67168.4000109.6K273 G277K273-L275 PolarHBondContact O-N 3.18Å; L275-G277 PolarHBondContact O-N 3.43Å
276R57.5Low49.7Very low237 Ų237130.8 Ų130.889%0.89474%0.738SS**PPolyproline II helixtrans-55128.9172.2-178.7177.9179.7167.20.4107.8
277G47.2Very low49.7Very low44 Ų44131.9 Ų131.945%0.45473%0.732SS.*PPolyproline II helixtrans-53.1142.4174.800000110.7L275L275-G277 PolarHBondContact O-N 3.43Å
278N51.5Low49.4Very low156 Ų156133.3 Ų133.383%0.83474%0.735SS**PPolyproline II helixtrans-52.5143.2176-68.5-26.4000109.7G280N278-G280 PolarHBondContact O-N 3.07Å
279P56.9Low49.2Very low124 Ų124123 Ų12381%0.80571%0.706SS**PPolyproline II helixtrans-48.5139.2169.7-25.334000110.2
280G44.4Very low49Very low42 Ų42121 Ų12143%0.43370%0.703SS.*PPolyproline II helixtrans-55.1156.2174.400000111N278 M282N278-G280 PolarHBondContact O-N 3.07Å; G280-M282 PolarHBondContact O-N 2.97Å
281P49.2Very low48.7Very low126 Ų126119.8 Ų119.882%0.81871%0.705SS**PPolyproline II helixtrans-54142.717624.8-33.6000109.9G283P281-G283 PolarHBondContact O-N 2.84Å
282M48.7Very low48.1Very low183 Ų183118.7 Ų118.790%0.90169%0.694SS**PPolyproline II helixtrans-52133.5171.9-175.4170.263.700108.8G280G280-M282 PolarHBondContact O-N 2.97Å
283G41.8Very low47.7Very low38 Ų38121.9 Ų121.939%0.39270%0.696SS.*PPolyproline II helixtrans-51.9145.6177.700000110.9P281 Q285P281-G283 PolarHBondContact O-N 2.84Å; G283-Q285 PolarHBondContact O-N 3.09Å
284I43.9Very low47.3Very low137 Ų137120.1 Ų120.170%0.70370%0.696SS**PPolyproline II helixtrans-54.5132.3173.251.3173.5000109.2G286I284-G286 PolarHBondContact O-N 3.31Å
285Q49.1Very low46.7Very low192 Ų192120.1 Ų120.190%0.89770%0.696SS**PPolyproline II helixtrans-56.5129.8173.3-173.217432.700108.2G283 V287G283-Q285 PolarHBondContact O-N 3.09Å; Q285-V287 PolarHBondContact O-N 3.35Å
286G40.5Very low46.2Very low36 Ų36117 Ų11737%0.37169%0.689SS.*PPolyproline II helixtrans-50.7141.8177.500000111.4I284 K288I284-G286 PolarHBondContact O-N 3.31Å; G286-K288 PolarHBondContact O-N 3.34Å
287V44.4Very low45.6Very low137 Ų137114.3 Ų114.383%0.8369%0.687SS**PPolyproline II helixtrans-57.5131.5174-123.50000108.5Q285 G289Q285-V287 PolarHBondContact O-N 3.35Å; V287-G289 PolarHBondContact O-N 3.29Å
288K47.3Very low45.2Very low203 Ų203114 Ų11488%0.88368%0.684SS**PPolyproline II helixtrans-55.2129.1173.7-174178.1-179178.90108.2G286G286-K288 PolarHBondContact O-N 3.34Å
289G40.8Very low44.8Very low30 Ų30114.7 Ų114.731%0.30969%0.686SS.*PPolyproline II helixtrans-51.7151.3176.300000111.8V287V287-G289 PolarHBondContact O-N 3.29Å
290A46.9Very low44.3Very low88 Ų88115.1 Ų115.173%0.72769%0.686SS**PPolyproline II helixtrans-52.7147.4177.200000110.7G292A290-G292 PolarHBondContact O-N 3.35Å
291P47.8Very low44Very low125 Ų125115.3 Ų115.381%0.81269%0.688SS**PPolyproline II helixtrans-50.3137.1172-24.633.7000110.3
292G37.3Very low43.9Very low42 Ų42113.7 Ų113.743%0.43369%0.686SS.*PPolyproline II helixtrans-53.2147173.900000110.5A290 N294A290-G292 PolarHBondContact O-N 3.35Å; G292-N294 PolarHBondContact O-N 3.44Å
293K46Very low43.9Very low203 Ų203111.8 Ų111.888%0.88368%0.684SS**PPolyproline II helixtrans-56.1138.1171.7-67.6-179178.1177.40108.3G295K293-G295 PolarHBondContact O-N 3.39Å
294N47.5Very low43.7Very low160 Ų160112.4 Ų112.486%0.85669%0.691SS**PPolyproline II helixtrans-50.5133.2171.2-74.1-4.2000108.7G292G292-N294 PolarHBondContact O-N 3.44Å
295G37.5Very low43.8Very low47 Ų47113.6 Ų113.649%0.48570%0.697SS.*PPolyproline II helixtrans-52.5144.3173.300000110K293 Q297K293-G295 PolarHBondContact O-N 3.39Å; G295-Q297 PolarHBondContact O-N 3.26Å
296S43.1Very low43.8Very low108 Ų108110.1 Ų110.176%0.75569%0.691SS**PPolyproline II helixtrans-52.9137.2170.649.80000109.5G298S296-G298 PolarHBondContact O-N 2.95Å
297Q46.7Very low43.7Very low180 Ų180111.3 Ų111.384%0.84170%0.704SS**PPolyproline II helixtrans-51.5129.1173.1-173.8176.2-22.700108.9G295G295-Q297 PolarHBondContact O-N 3.26Å
298G36.9Very low43.8Very low38 Ų38112.5 Ų112.539%0.39271%0.706SS.*PPolyproline II helixtrans-54.1147.1177.500000111S296 V300S296-G298 PolarHBondContact O-N 2.95Å; G298-V300 PolarHBondContact O-N 3.16Å
299L43.1Very low43.9Very low169 Ų169109.7 Ų109.789%0.88571%0.705SS**PPolyproline II helixtrans-54.3134.6173.9-71.8164.3000109.2G301L299-G301 PolarHBondContact O-N 3.19Å
300V47Very low43.8Very low133 Ų133110.7 Ų110.781%0.80672%0.715SS**PPolyproline II helixtrans-57.9124.7172.21800000107.4G298G298-V300 PolarHBondContact O-N 3.16Å
301G38.6Very low43.6Very low46 Ų46112.7 Ų112.747%0.47472%0.721SS.*PPolyproline II helixtrans-53.8142.4178.300000110.9L299 V303L299-G301 PolarHBondContact O-N 3.19Å; G301-V303 PolarHBondContact O-N 3.07Å
302A46.5Very low43.4Very low93 Ų93111.4 Ų111.477%0.76972%0.721SS**PPolyproline II helixtrans-54.7140.3176.900000110.3G304A302-G304 PolarHBondContact O-N 3.35Å
303V48.5Very low43.5Very low143 Ų143112.9 Ų112.987%0.86774%0.736SS**PPolyproline II helixtrans-56.2125.9172.8-179.90000107.7G301 L305G301-V303 PolarHBondContact O-N 3.07Å; V303-L305 PolarHBondContact O-N 3.34Å
304G38.5Very low43.2Very low51 Ų51112.4 Ų112.453%0.52674%0.737SS.*PPolyproline II helixtrans-55.7140.9177.600000110.5A302A302-G304 PolarHBondContact O-N 3.35Å
305L44.9Very low43Very low161 Ų161109.4 Ų109.484%0.84373%0.734SS**PPolyproline II helixtrans-56.2143.9174.8-69168.5000109.9V303 G307V303-L305 PolarHBondContact O-N 3.34Å; L305-G307 PolarHBondContact O-N 3.05Å
306P48.9Very low43Very low119 Ų119111.1 Ų111.177%0.77374%0.744SS**PPolyproline II helixtrans-49.7135.5169.1-24.834000110
307G38.4Very low43Very low61 Ų61111.3 Ų111.363%0.62974%0.742SS**PPolyproline II helixtrans-59.6147.4175.500000110.7L305 V309L305-G307 PolarHBondContact O-N 3.05Å; G307-V309 PolarHBondContact O-N 3.44Å
308D47.3Very low43.1Very low163 Ų163108.8 Ų108.887%0.87274%0.742SS**PPolyproline II helixtrans-53.8140.9175.7-62.7-45.8000110.5G310D308-G310 PolarHBondContact O-N 3.45Å; D308-G310 VanDerWaalsContact O-N 3.16Å
309V48.7Very low43.1Very low144 Ų144110 Ų11087%0.87375%0.754SS**PPolyproline II helixtrans-58.6122.3173.8-179.30000107.5G307G307-V309 PolarHBondContact O-N 3.44Å
310G39.2Very low43.1Very low51 Ų51108.2 Ų108.253%0.52675%0.752SS.*PPolyproline II helixtrans-55.9153.1177.400000111.2D308D308-G310 PolarHBondContact O-N 3.45Å; D308-G310 VanDerWaalsContact O-N 3.16Å
311P42.5Very low43Very low130 Ų130106.6 Ų106.684%0.84475%0.753SS**PPolyproline II helixtrans-55.7146.6177.825.2-33.8000110.4G313P311-G313 PolarHBondContact O-N 3.16Å
312A44.5Very low43Very low98 Ų98107.4 Ų107.481%0.8176%0.761SS**PPolyproline II helixtrans-53.6133.6172.600000109.2
313G38Very low42.8Very low72 Ų72109.3 Ų109.374%0.74277%0.766SS**PPolyproline II helixtrans-56.8141.8175.800000110.3P311 A315P311-G313 PolarHBondContact O-N 3.16Å; G313-A315 PolarHBondContact O-N 3.27Å
314E40.3Very low42.5Very low193 Ų193110.3 Ų110.390%0.90276%0.763SS**PPolyproline II helixtrans-54.1136.5174-70.7-179.2159.200109.7A316E314-A316 PolarHBondContact O-N 3.3Å
315A43.2Very low42.5Very low97 Ų97110.2 Ų110.280%0.80276%0.762SS**PPolyproline II helixtrans-56.4129.3176.200000109.1G313G313-A315 PolarHBondContact O-N 3.27Å
316A38.6Very low42.4Very low83 Ų83108.7 Ų108.769%0.68676%0.762SS**PPolyproline II helixtrans-59.1141.4174.800000109.2E314E314-A316 PolarHBondContact O-N 3.3Å
317P43.3Very low42.2Very low112 Ų112110 Ų11073%0.72776%0.761SS**PPolyproline II helixtrans-56.3148173.223.9-32.6000109.8G319P317-G319 PolarHBondContact O-N 3.37Å
318P48.3Very low42.2Very low128 Ų128110.2 Ų110.283%0.83176%0.763SS**PPolyproline II helixtrans-47.5134175.7-2834.6000111
319G37.8Very low41.9Very low63 Ų63105.4 Ų105.465%0.64975%0.752SS**PPolyproline II helixtrans-56.7152176.400000110.8P317 A321P317-G319 PolarHBondContact O-N 3.37Å; G319-A321 PolarHBondContact O-N 3.36Å
320P41.4Very low42.1Very low131 Ų131105 Ų10585%0.85175%0.753SS**PPolyproline II helixtrans-56140.8173.325.4-33.2000109.5G322P320-G322 PolarHBondContact O-N 2.98Å
321A46.7Very low42.2Very low100 Ų100105.3 Ų105.383%0.82676%0.755SS**PPolyproline II helixtrans-51.7134.8174.400000109.6G319G319-A321 PolarHBondContact O-N 3.36Å
322G38.6Very low42.5Very low62 Ų62105.3 Ų105.364%0.63976%0.755SS**PPolyproline II helixtrans-56.9152.9177.900000111.2P320 M324P320-G322 PolarHBondContact O-N 2.98Å; G322-M324 PolarHBondContact O-N 3.24Å
323P41.4Very low42.4Very low133 Ų133107.8 Ų107.886%0.86476%0.755SS**PPolyproline II helixtrans-56.4137173.525.5-33.2000109.4G325P323-G325 PolarHBondContact O-N 3.34Å
324M42Very low42.6Very low164 Ų164109 Ų10981%0.80876%0.757SS**PPolyproline II helixtrans-52.7131.7172-173.4173.471.800108.5G322G322-M324 PolarHBondContact O-N 3.24Å
325G38.9Very low42.7Very low49 Ų49105.3 Ų105.351%0.50575%0.749SS.*PPolyproline II helixtrans-55155.4177.800000111.3P323 I327P323-G325 PolarHBondContact O-N 3.34Å; G325-I327 PolarHBondContact O-N 3.28Å
326P42.3Very low42.8Very low129 Ų129108 Ų10884%0.83875%0.749SS**PPolyproline II helixtrans-54132.5176.224.2-32.8000109.4G328P326-G328 PolarHBondContact O-N 3.23Å; P326-G328 VanDerWaalsContact O-N 3.16Å
327I45.9Very low42.7Very low147 Ų147113.1 Ų113.175%0.75476%0.758SS**PPolyproline II helixtrans-53.7124.3171.3-64.2171.3000106.5G325 G329G325-I327 PolarHBondContact O-N 3.28Å; I327-G329 PolarHBondContact O-N 3.24Å
328G37.6Very low42.7Very low65 Ų65114.5 Ų114.567%0.6776%0.76SS**PPolyproline II helixtrans-50.8129.3177.700000109.2P326P326-G328 PolarHBondContact O-N 3.23Å; P326-G328 VanDerWaalsContact O-N 3.16Å
329G41Very low42.7Very low62 Ų62113.9 Ų113.964%0.63975%0.754SS**PPolyproline II helixtrans-54.5155.8177.800000110.9I327 G331I327-G329 PolarHBondContact O-N 3.24Å; G329-G331 PolarHBondContact O-N 3.5Å
330P51.8Low43Very low137 Ų137116 Ų11689%0.8976%0.759SS**PPolyproline II helixtrans-48.6130.2173.9-23.832.5000109.9
331G41.8Very low43Very low56 Ų56118.6 Ų118.658%0.57776%0.762SS**PPolyproline II helixtrans-55.8155.917400000110.4G329 D333G329-G331 PolarHBondContact O-N 3.5Å; G331-D333 PolarHBondContact O-N 3.26Å; G331-D333 VanDerWaalsContact O-N 3.07Å
332P49.5Very low43.1Very low130 Ų130124.7 Ų124.784%0.84476%0.763SS**PPolyproline II helixtrans-54.1123.6176.224.3-32.4000108A334P332-A334 PolarHBondContact O-N 2.74Å; P332-A334 VanDerWaalsContact O-N 3.1Å
333D42.7Very low43.3Very low150 Ų150130.1 Ų130.180%0.80278%0.776SS**PPolyproline II helixtrans-50123.3174.5-123.2-17.2000106.9G331 T335G331-D333 PolarHBondContact O-N 3.26Å; G331-D333 VanDerWaalsContact O-N 3.07Å; D333-T335 PolarHBondContact O-N 3.1Å
334A42.1Very low43.2Very low97 Ų97127 Ų12780%0.80277%0.767SS**  trans-73.363179.600000109.2P332 L336P332-A334 PolarHBondContact O-N 2.74Å; P332-A334 VanDerWaalsContact O-N 3.1Å; A334-L336 PolarHBondContact O-N 3.11Å; A334-L336 VanDerWaalsContact O-N 3.11Å
335T42.5Very low43.4Very low117 Ų117125.3 Ų125.372%0.71877%0.767SS**  trans-85.281166.5-130000107.9D333 Q337D333-T335 PolarHBondContact O-N 3.1Å; T335-Q337 PolarHBondContact O-N 3.07Å
336L43.9Very low43.6Very low154 Ų154129.5 Ų129.581%0.80678%0.783SS**  trans-38.3112.8164-159.8154.4000110.8A334A334-L336 PolarHBondContact O-N 3.11Å; A334-L336 VanDerWaalsContact O-N 3.11Å
337Q37.2Very low43.5Very low189 Ų189134.4 Ų134.488%0.88379%0.785SS**  trans-167.877.2158.5-107.5162.57100109.7T335T335-Q337 PolarHBondContact O-N 3.07Å
338D43.5Very low43.4Very low142 Ų142134.2 Ų134.276%0.75978%0.784SS**  trans-113.5138.1154.3-163.67.3000108.8
339T48.7Very low43.8Very low115 Ų115136.1 Ų136.171%0.70679%0.788SS**  trans69.685.5176.765.70000117.8M341T339-M341 VanDerWaalsContact C-N 3.28Å; T339-M341 PolarHBondContact O-N 2.88Å
340S43.5Very low44.2Very low108 Ų108137.8 Ų137.876%0.75579%0.79SS**  trans-4292.4136.7143.60000110.9
341M42.5Very low44Very low185 Ų185142.1 Ų142.191%0.91179%0.788SS**  trans-95.1105.4146.1-115.6-175.5-159.300107.1T339 I343T339-M341 VanDerWaalsContact C-N 3.28Å; T339-M341 PolarHBondContact O-N 2.88Å; M341-I343 PolarHBondContact O-N 3.3Å
342R47.1Very low44.1Very low228 Ų228148 Ų14886%0.8680%0.801SS**  trans-69.3112.4167.7-70.3178.4179.6170.40.1108.2
343I44Very low43.7Very low175 Ų175147.6 Ų147.690%0.89779%0.791SS**  -177103.6125.7-80.7148.9000105.1M341M341-I343 PolarHBondContact O-N 3.3Å
344G39.1Very low43.8Very low67 Ų67147.9 Ų147.969%0.69179%0.788SS**SBendtrans150.161.5179.900000115.4
345T46.1Very low43.8Very low130 Ų130150.3 Ų150.380%0.79878%0.783SS**  trans33.8104.8151.1570000121.1
346T42.1Very low43.9Very low137 Ų137152.6 Ų152.684%0.8479%0.785SS**  162101.5123.233.60000111.8
347R42.1Very low43.9Very low231 Ų231152.3 Ų152.387%0.87278%0.782SS**  49.5127.6116.3-77.8-173-179.5-177.12.7115.9
348L43Very low44Very low143 Ų143152.4 Ų152.475%0.74978%0.78SS**  cis-176.2138.422-100.9151.2000111.4
349S46.8Very low43.9Very low106 Ų106149.9 Ų149.974%0.74178%0.779SS**  trans58.9145.8143.279.20000122.4
350S48.2Very low43.9Very low97 Ų97149.7 Ų149.768%0.67878%0.78SS**  cis-178.5144.22.7-111.80000111.7
351R47.2Very low43.9Very low227 Ų227151.4 Ų151.486%0.85779%0.786SS**  trans70.4119.6145.7-61.4174.1176.3-178.6-2.7121.1
352Q43.9Very low43.9Very low180 Ų180145.7 Ų145.784%0.84177%0.774SS**  cis87.6129.744.7-94.7-178.6-21.100117.6
353N41.5Very low43.7Very low122 Ų122144.5 Ų144.565%0.65278%0.775SS**  trans101.6118.5150.7-67.618.1000119.4
354E44Very low43.8Very low155 Ų155141.1 Ų141.172%0.72477%0.767SS**  72.4128.874.6-112.9179154.900109.9
355E42.8Very low44.1Very low149 Ų149144.7 Ų144.770%0.69677%0.77SS**  cis-174.8154.442-86-176.4116.900111.4
356H44.5Very low44.1Very low165 Ų165147.2 Ų147.276%0.76477%0.77SS**  trans55.7149.4135.7-74.6-94.1000125.1
357I43.3Very low44.2Very low147 Ų147150.3 Ų150.375%0.75477%0.772SS**  trans129.5107.8131.8-59.3-169.8000116.1
358F41Very low44.7Very low191 Ų191149.5 Ų149.584%0.83878%0.775SS**  trans77.6107.2144.4-82.7-118.9000124.7
359A40.3Very low45Very low89 Ų89152 Ų15274%0.73680%0.804SS**  49.3157.8104.500000123.3
360P49.1Very low44.9Very low111 Ų111154.3 Ų154.372%0.72181%0.807SS**  trans-115175.6-137.739.2-26.2000115.7
361T43.8Very low44.7Very low144 Ų144157.3 Ų157.388%0.88381%0.813SS**  trans141.3134.6140.151.80000114.8
362G43.1Very low44.5Very low65 Ų65153.4 Ų153.467%0.6781%0.811SS**  109116.3128.100000120.4
363K42.9Very low44.6Very low203 Ų203151.8 Ų151.888%0.88381%0.809SS**  trans77.2103.1141.1-55.6175-176.4177.60116.3
364S44.2Very low44.8Very low104 Ų104153.7 Ų153.773%0.72782%0.819SS**  61.6108.879.2-1580000114.1
365L46.1Very low44.8Very low143 Ų143153.6 Ų153.675%0.74983%0.825SS**  162.1134.2116.8-84.5162.4000113.7
366K45.3Very low45Very low182 Ų182153.9 Ų153.979%0.79184%0.835SS**  trans77.294.1139.8-72.6172.3173.81770121.6
367K45.3Very low45Very low202 Ų202153.1 Ų153.188%0.87884%0.84SS**  31.2127.5107.8-126179.4-173.1-179.70119.4
368K51.5Low45.1Very low215 Ų215153.6 Ų153.694%0.93585%0.847SS**  trans-170.8101.5132.2-109179.2-178.8-176.70113
369S49.2Very low45.5Very low194 Ų194150.2 Ų150.2100%1.35785%0.848SS**  trans158.30134.2-172.40000109.5

Retrieved 369 of 369 residues in 156.2 ms (Link to these results)