A0A087Y5D3_POEFO Loading...

Transcription elongation factor

Necessary for efficient RNA polymerase II transcription elongation past template-encoded arresting sites. The arresting sites in DNA have the property of trapping a certain fraction of elongating RNA polymerases that pass through, resulting in locked ternary complexes. Cleavage of the nascent transcript by S-II allows the resumption of elongation from the new 3'-terminus.

AlphaFold DB , UniProt , Accession A0A087Y5D3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 319 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
1M50.9Low75.6Confident196 Ų19678.8 Ų78.897%0.96639%0.389SS*.  0-690-60.7-54-145.600113K3 T4 Q5M1-K3 PolarHBondContact O-N 3.15Å; M1-T4 PolarHBondContact O-N 3.01Å; M1-Q5 PolarHBondContact O-N 3.09Å
2A57.4Low76.7Confident79 Ų7982.8 Ų82.865%0.65340%0.403SS*.Hα-helixtrans-59.9-38.8-173.900000115E6A2-E6 PolarHBondContact O-N 2.63Å
3K67Low77.5Confident170 Ų17085.3 Ų85.374%0.73941%0.41SS*.Hα-helixtrans-70.2-31.7179.3-64.4-178.2179.6177.60113.4M1 E6 V7M1-K3 PolarHBondContact O-N 3.15Å; K3-E6 PolarHBondContact O-N 3.27Å; K3-V7 WeakPolarHBondContact O-CG2 3.49Å; K3-V7 PolarHBondContact O-N 3.44Å
4T72.8Confident78.1Confident38 Ų3879.2 Ų79.223%0.23338%0.381CS..Hα-helixtrans-69.6-41.7177.7-47.80000110.9M1 E6 V7 E8 T42 T46M1-T4 PolarHBondContact O-N 3.01Å; T4-E6 VanDerWaalsContact C-N 3.31Å; T4-E6 PolarHBondContact O-N 2.89Å; T4-V7 PolarHBondContact O-N 3.35Å; T4-E8 PolarHBondContact O-N 3.43Å; T4-T42 HydrophobicContact CG2-CG2 4.07Å; T4-T46 HydrophobicContact CG2-CG2 4.23Å
5Q77.6Confident78.7Confident109 Ų10977.4 Ų77.451%0.50937%0.374SS..Hα-helixtrans-64.4-35176.3-70.4-179.1-11.500112.5M1 E8 R9M1-Q5 PolarHBondContact O-N 3.09Å; Q5-E8 PolarHBondContact O-N 3.49Å; Q5-R9 VanDerWaalsContact O-CG 3.32Å; Q5-R9 WeakPolarHBondContact O-CG 3.42Å; Q5-R9 PolarHBondContact O-N 3.27Å
6E81.4Confident79.3Confident54 Ų5481.4 Ų81.425%0.25239%0.389SS..Hα-helixtrans-70-39.5176.8-157.956.2-139.900111.9A2 K3 T4 E8 R9 I10A2-E6 PolarHBondContact O-N 2.63Å; K3-E6 PolarHBondContact O-N 3.27Å; T4-E6 VanDerWaalsContact C-N 3.31Å; T4-E6 PolarHBondContact O-N 2.89Å; E6-E8 VanDerWaalsContact C-N 3.31Å; E6-E8 PolarHBondContact O-N 2.9Å; E6-R9 WeakPolarHBondContact O-CB 3.5Å; E6-R9 PolarHBondContact O-N 2.77Å; E6-R9 WeakPolarHBondContact OE2-CD 3.47Å; E6-R9 IonicContact OE2-CZ 3.78Å; E6-R9 IonicContact OE2-NE 3.99Å; E6-R9 IonicContact OE2-NH1 2.85Å; E6-R9 PolarHBondContact OE2-NH1 3.26Å; E6-I10 WeakPolarHBondContact O-CG1 3.33Å; E6-I10 PolarHBondContact O-N 3.2Å
7V82.3Confident79.6Confident5 Ų578.5 Ų78.53%0.0338%0.376CS..Hα-helixtrans-59.4-42171.81730000111.4K3 T4 I10 A11 L33 M36 M38 T42 T46 V48K3-V7 WeakPolarHBondContact O-CG2 3.49Å; K3-V7 PolarHBondContact O-N 3.44Å; T4-V7 PolarHBondContact O-N 3.35Å; V7-I10 PolarHBondContact O-N 3.01Å; V7-A11 WeakPolarHBondContact O-CB 3.32Å; V7-A11 PolarHBondContact O-N 3.2Å; V7-L33 HydrophobicContact CG1-CD2 4.49Å; V7-M36 HydrophobicContact CG2-CE 3.64Å; V7-M36 HydrophobicContact CG2-SD 4.12Å; V7-M38 HydrophobicContact CG1-CE 3.87Å; V7-M38 HydrophobicContact CG2-CE 4.42Å; V7-T42 HydrophobicContact CB-CG2 4.19Å; V7-T42 HydrophobicContact CG1-CG2 4.07Å; V7-T42 HydrophobicContact CG2-CG2 4.2Å; V7-T46 HydrophobicContact CG1-CG2 4.05Å; V7-V48 HydrophobicContact CG1-CB 4.21Å; V7-V48 HydrophobicContact CG1-CG1 4.25Å; V7-V48 HydrophobicContact CG1-CG2 4.36Å
8E84Confident79.8Confident71 Ų7174.8 Ų74.833%0.33236%0.359SS..Hα-helixtrans-64.7-38.9175.6-72.3-177.4-170.600113T4 Q5 E6 A11 K12 T46T4-E8 PolarHBondContact O-N 3.43Å; Q5-E8 PolarHBondContact O-N 3.49Å; E6-E8 VanDerWaalsContact C-N 3.31Å; E6-E8 PolarHBondContact O-N 2.9Å; E8-A11 PolarHBondContact O-N 2.98Å; E8-K12 WeakPolarHBondContact O-CB 3.38Å; E8-K12 VanDerWaalsContact O-CG 3.32Å; E8-K12 WeakPolarHBondContact O-CG 3.29Å; E8-K12 PolarHBondContact O-N 2.98Å; E8-T46 HydrophobicContact CG-CG2 3.42Å; E8-T46 VanDerWaalsContact CG-CG2 3.42Å
9R86.6Confident80.1Confident140 Ų14079 Ų7953%0.52838%0.378SS..Hα-helixtrans-63.2-44.1176.1-74.1169.3-178.6174.6-1.9110.9Q5 E6 K12 K13Q5-R9 VanDerWaalsContact O-CG 3.32Å; Q5-R9 WeakPolarHBondContact O-CG 3.42Å; Q5-R9 PolarHBondContact O-N 3.27Å; E6-R9 WeakPolarHBondContact O-CB 3.5Å; E6-R9 PolarHBondContact O-N 2.77Å; E6-R9 WeakPolarHBondContact OE2-CD 3.47Å; E6-R9 IonicContact OE2-CZ 3.78Å; E6-R9 IonicContact OE2-NE 3.99Å; E6-R9 IonicContact OE2-NH1 2.85Å; E6-R9 PolarHBondContact OE2-NH1 3.26Å; R9-K12 PolarHBondContact O-N 3Å; R9-K13 WeakPolarHBondContact O-CG 3.45Å; R9-K13 PolarHBondContact O-N 3.28Å
10I86.5Confident80.3Confident0 Ų083.5 Ų83.50%040%0.396CS..Hα-helixtrans-66.8-43.8177.5-62.3170.7000110.7E6 V7 K12 K13 L14 L29 E32 L33 M36E6-I10 WeakPolarHBondContact O-CG1 3.33Å; E6-I10 PolarHBondContact O-N 3.2Å; V7-I10 PolarHBondContact O-N 3.01Å; I10-K12 VanDerWaalsContact C-N 3.34Å; I10-K12 PolarHBondContact O-N 3.27Å; I10-K13 PolarHBondContact O-N 3.2Å; I10-K13 VanDerWaalsContact O-N 3.13Å; I10-L14 HydrophobicContact CG2-CD1 4.03Å; I10-L14 HydrophobicContact CG2-CG 4.19Å; I10-L14 WeakPolarHBondContact O-CG 3.48Å; I10-L14 PolarHBondContact O-N 3.49Å; I10-L29 HydrophobicContact CG1-CD2 4.47Å; I10-L29 HydrophobicContact CG2-CB 4Å; I10-L29 HydrophobicContact CG2-CD2 4.17Å; I10-E32 HydrophobicContact CD1-CB 4.28Å; I10-E32 HydrophobicContact CD1-CG 3.83Å; I10-L33 HydrophobicContact CB-CD2 4.25Å; I10-L33 HydrophobicContact CB-CG 4.47Å; I10-L33 HydrophobicContact CD1-CD2 4.24Å; I10-L33 HydrophobicContact CD1-CG 4.39Å; I10-L33 HydrophobicContact CG2-CD1 3.77Å; I10-L33 HydrophobicContact CG2-CD2 3.99Å; I10-L33 HydrophobicContact CG2-CG 3.71Å; I10-M36 HydrophobicContact CD1-CE 3.47Å; I10-M36 VanDerWaalsContact CD1-CE 3.47Å
11A85.5Confident80.3Confident5 Ų588.3 Ų88.34%0.04142%0.415CS..Hα-helixtrans-56.9-46.417600000111.8V7 E8 K13 L14 D15 V48V7-A11 WeakPolarHBondContact O-CB 3.32Å; V7-A11 PolarHBondContact O-N 3.2Å; E8-A11 PolarHBondContact O-N 2.98Å; A11-K13 PolarHBondContact O-N 3.21Å; A11-L14 PolarHBondContact O-N 2.83Å; A11-D15 PolarHBondContact O-N 3.35Å; A11-V48 HydrophobicContact CB-CB 4.22Å; A11-V48 HydrophobicContact CB-CG2 4.05Å
12K88.6Confident81.6Confident127 Ų12782.8 Ų82.855%0.55239%0.389SS*.Hα-helixtrans-63.9-36.1176-73.2172.2-177.91690112.9E8 R9 I10 K16E8-K12 WeakPolarHBondContact O-CB 3.38Å; E8-K12 VanDerWaalsContact O-CG 3.32Å; E8-K12 WeakPolarHBondContact O-CG 3.29Å; E8-K12 PolarHBondContact O-N 2.98Å; R9-K12 PolarHBondContact O-N 3Å; I10-K12 VanDerWaalsContact C-N 3.34Å; I10-K12 PolarHBondContact O-N 3.27Å; K12-K16 WeakPolarHBondContact O-CB 3.34Å; K12-K16 VanDerWaalsContact O-CG 3.28Å; K12-K16 WeakPolarHBondContact O-CG 3.27Å; K12-K16 PolarHBondContact O-N 2.87Å
13K86.8Confident82.4Confident115 Ų11580.5 Ų80.550%0.537%0.367SS..Hα-helixtrans-67-46174.6-77.3177.3-179.4175.80111R9 I10 A11 D15 K16 M17 L29R9-K13 WeakPolarHBondContact O-CG 3.45Å; R9-K13 PolarHBondContact O-N 3.28Å; I10-K13 PolarHBondContact O-N 3.2Å; I10-K13 VanDerWaalsContact O-N 3.13Å; A11-K13 PolarHBondContact O-N 3.21Å; K13-D15 PolarHBondContact O-N 2.99Å; K13-K16 PolarHBondContact O-N 3.14Å; K13-M17 WeakPolarHBondContact O-CG 3.23Å; K13-M17 PolarHBondContact O-N 3.38Å; K13-L29 HydrophobicContact CB-CD1 4.05Å; K13-L29 HydrophobicContact CD-CD2 4.34Å
14L86.6Confident82.8Confident0 Ų078.5 Ų78.50%037%0.365CS..Hα-helixtrans-60.7-42.9176.5-71.4176.7000111.9I10 A11 M17 V18 L29 L30 L33 V52 V55I10-L14 HydrophobicContact CG2-CD1 4.03Å; I10-L14 HydrophobicContact CG2-CG 4.19Å; I10-L14 WeakPolarHBondContact O-CG 3.48Å; I10-L14 PolarHBondContact O-N 3.49Å; A11-L14 PolarHBondContact O-N 2.83Å; L14-M17 WeakPolarHBondContact O-CB 3.4Å; L14-M17 PolarHBondContact O-N 3.02Å; L14-V18 VanDerWaalsContact O-CG2 3.3Å; L14-V18 WeakPolarHBondContact O-CG2 3.25Å; L14-V18 PolarHBondContact O-N 3.01Å; L14-L29 HydrophobicContact CD2-CB 3.78Å; L14-L29 HydrophobicContact CD2-CD1 3.73Å; L14-L29 HydrophobicContact CD2-CG 4.43Å; L14-L29 HydrophobicContact CG-CB 4.34Å; L14-L29 HydrophobicContact CG-CD1 4.2Å; L14-L30 HydrophobicContact CD1-CD2 4.43Å; L14-L33 HydrophobicContact CD1-CD1 3.61Å; L14-V52 HydrophobicContact CD1-CG2 3.98Å; L14-V55 HydrophobicContact CB-CG2 3.95Å; L14-V55 HydrophobicContact CD2-CG2 3.97Å; L14-V55 HydrophobicContact CG-CG2 4.4Å
15D87.4Confident83.1Confident52 Ų5278.5 Ų78.528%0.27837%0.372SS..Hα-helixtrans-64.2-42.6175.4-75.7-35.6000111.5A11 K13 M17 V18 H19 S51A11-D15 PolarHBondContact O-N 3.35Å; K13-D15 PolarHBondContact O-N 2.99Å; D15-M17 VanDerWaalsContact C-N 3.27Å; D15-M17 PolarHBondContact O-N 3.07Å; D15-V18 WeakPolarHBondContact O-CB 3.27Å; D15-V18 PolarHBondContact O-N 2.91Å; D15-H19 PolarHBondContact O-N 3.13Å; D15-H19 PolarHBondContact O-ND1 3.33Å; D15-S51 VanDerWaalsContact CG-OG 3.24Å; D15-S51 WeakPolarHBondContact OD1-CA 3.39Å; D15-S51 WeakPolarHBondContact OD1-CB 3.5Å; D15-S51 PolarHBondContact OD1-OG 3.27Å; D15-S51 PolarHBondContact OD2-OG 2.98Å
16K87.7Confident83.3Confident141 Ų14173.4 Ų73.461%0.61335%0.348SS*.Hα-helixtrans-60.8-36.1175.6-76.3174.8-178.4-177.40112.6K12 K13 H19 K20K12-K16 WeakPolarHBondContact O-CB 3.34Å; K12-K16 VanDerWaalsContact O-CG 3.28Å; K12-K16 WeakPolarHBondContact O-CG 3.27Å; K12-K16 PolarHBondContact O-N 2.87Å; K13-K16 PolarHBondContact O-N 3.14Å; K16-H19 PolarHBondContact O-N 3.01Å; K16-K20 WeakPolarHBondContact O-CB 3.23Å; K16-K20 WeakPolarHBondContact O-CG 3.32Å; K16-K20 PolarHBondContact O-N 2.92Å
17M83.7Confident83.5Confident32 Ų3272.9 Ų72.916%0.15835%0.347CS..Hα-helixtrans-67-44176.8-74-179.573.800112K13 L14 D15 H19 K20 K21 N22 D24 A26 L29K13-M17 WeakPolarHBondContact O-CG 3.23Å; K13-M17 PolarHBondContact O-N 3.38Å; L14-M17 WeakPolarHBondContact O-CB 3.4Å; L14-M17 PolarHBondContact O-N 3.02Å; D15-M17 VanDerWaalsContact C-N 3.27Å; D15-M17 PolarHBondContact O-N 3.07Å; M17-H19 PolarHBondContact O-N 2.94Å; M17-K20 CarbonylContact O-C 3.57Å; M17-K20 PolarHBondContact O-N 3.15Å; M17-K21 PolarHBondContact O-N 3.22Å; M17-N22 VanDerWaalsContact CB-O 3.32Å; M17-N22 WeakPolarHBondContact CB-O 3.44Å; M17-N22 WeakPolarHBondContact CE-O 3.47Å; M17-N22 PolarHBondContact O-N 3.48Å; M17-N22 VanDerWaalsContact O-N 3.16Å; M17-D24 WeakPolarHBondContact CE-O 3.24Å; M17-A26 HydrophobicContact CE-CB 4.03Å; M17-L29 HydrophobicContact SD-CD1 3.7Å
18V84.2Confident83.7Confident13 Ų1377.9 Ų77.98%0.07937%0.374CS..Hα-helixtrans-58.1-45.8172.3166.20000111L14 D15 K20 K21 A54 V55 Q58L14-V18 VanDerWaalsContact O-CG2 3.3Å; L14-V18 WeakPolarHBondContact O-CG2 3.25Å; L14-V18 PolarHBondContact O-N 3.01Å; D15-V18 WeakPolarHBondContact O-CB 3.27Å; D15-V18 PolarHBondContact O-N 2.91Å; V18-K20 VanDerWaalsContact C-N 3.33Å; V18-K20 PolarHBondContact O-N 3.18Å; V18-K21 PolarHBondContact O-N 3.09Å; V18-A54 HydrophobicContact CG1-CB 3.94Å; V18-A54 HydrophobicContact CG2-CB 4.12Å; V18-V55 HydrophobicContact CG2-CB 4.25Å; V18-V55 HydrophobicContact CG2-CG2 3.47Å; V18-V55 VanDerWaalsContact CG2-CG2 3.47Å; V18-Q58 VanDerWaalsContact CA-OE1 3.24Å; V18-Q58 VanDerWaalsContact CG1-CD 3.41Å; V18-Q58 VanDerWaalsContact CG1-NE2 3.28Å; V18-Q58 PolarHBondContact O-OE1 3.13Å
19H84.9Confident83.9Confident154 Ų15475.5 Ų75.571%0.71336%0.363SS*.Hα-helixtrans-66-34.2178.1-72.979.5000113.1D15 K16 M17 K21D15-H19 PolarHBondContact O-N 3.13Å; D15-H19 PolarHBondContact O-ND1 3.33Å; K16-H19 PolarHBondContact O-N 3.01Å; M17-H19 PolarHBondContact O-N 2.94Å; H19-K21 VanDerWaalsContact C-N 3.31Å
20K84.3Confident83.9Confident169 Ų16968.9 Ų68.974%0.73534%0.338SS*.THydrogen-bonded Turntrans-85.1-0.5178.7-69.8-176.9177.4-169.70113.7K16 M17 V18 N22K16-K20 WeakPolarHBondContact O-CB 3.23Å; K16-K20 WeakPolarHBondContact O-CG 3.32Å; K16-K20 PolarHBondContact O-N 2.92Å; M17-K20 CarbonylContact O-C 3.57Å; M17-K20 PolarHBondContact O-N 3.15Å; V18-K20 VanDerWaalsContact C-N 3.33Å; V18-K20 PolarHBondContact O-N 3.18Å; K20-N22 PolarHBondContact O-N 3.4Å; K20-N22 VanDerWaalsContact O-N 3.08Å
21K80.6Confident83.9Confident185 Ų18574.6 Ų74.680%0.80436%0.36SS*.THydrogen-bonded Turntrans51.725.3-173.7-57.8-178.8-180178.70113.6M17 V18 H19M17-K21 PolarHBondContact O-N 3.22Å; V18-K21 PolarHBondContact O-N 3.09Å; H19-K21 VanDerWaalsContact C-N 3.31Å
22N78.8Confident83.9Confident79 Ų7978.5 Ų78.542%0.42238%0.377SS..  trans-110113.8178.8-175.5-5.7000107.9M17 K20 D24M17-N22 VanDerWaalsContact CB-O 3.32Å; M17-N22 WeakPolarHBondContact CB-O 3.44Å; M17-N22 WeakPolarHBondContact CE-O 3.47Å; M17-N22 PolarHBondContact O-N 3.48Å; M17-N22 VanDerWaalsContact O-N 3.16Å; K20-N22 PolarHBondContact O-N 3.4Å; K20-N22 VanDerWaalsContact O-N 3.08Å; N22-D24 VanDerWaalsContact OD1-CB 3.31Å; N22-D24 WeakPolarHBondContact OD1-CB 3.3Å; N22-D24 PolarHBondContact OD1-N 2.97Å; N22-D24 PolarHBondContact OD1-OD2 3.42Å
23T73.2Confident83.7Confident31 Ų3172.5 Ų72.519%0.1935%0.351CS..  trans-100.50.8-176.650.80000113.1G25 A26T23-G25 PolarHBondContact O-N 2.86Å; T23-A26 VanDerWaalsContact O-CB 3.23Å; T23-A26 WeakPolarHBondContact O-CB 3.47Å; T23-A26 PolarHBondContact O-N 3.31Å
24D74.5Confident83.6Confident129 Ų12973.1 Ų73.169%0.6935%0.354SS*.THydrogen-bonded Turntrans-67115.5179.4-61.7-27.1000110.2M17 N22M17-D24 WeakPolarHBondContact CE-O 3.24Å; N22-D24 VanDerWaalsContact OD1-CB 3.31Å; N22-D24 WeakPolarHBondContact OD1-CB 3.3Å; N22-D24 PolarHBondContact OD1-N 2.97Å; N22-D24 PolarHBondContact OD1-OD2 3.42Å
25G79.3Confident83.3Confident38 Ų3879.7 Ų79.739%0.39239%0.389SS..THydrogen-bonded Turntrans95.30.6-175.200000115.1T23 L27 D28 L29T23-G25 PolarHBondContact O-N 2.86Å; G25-L27 PolarHBondContact O-N 2.71Å; G25-D28 PolarHBondContact O-N 2.93Å; G25-L29 PolarHBondContact O-N 2.94Å
26A83.2Confident82.8Confident1 Ų179.1 Ų79.11%0.00839%0.385CS..Hα-helixtrans-65.3-31.7175.200000111.6M17 T23 L30 V55 V64M17-A26 HydrophobicContact CE-CB 4.03Å; T23-A26 VanDerWaalsContact O-CB 3.23Å; T23-A26 WeakPolarHBondContact O-CB 3.47Å; T23-A26 PolarHBondContact O-N 3.31Å; A26-L30 WeakPolarHBondContact O-CB 3.33Å; A26-L30 WeakPolarHBondContact O-CG 3.39Å; A26-L30 PolarHBondContact O-N 3.16Å; A26-V55 HydrophobicContact CB-CG1 4.01Å; A26-V64 HydrophobicContact CB-CG1 4.39Å
27L85.2Confident81.6Confident44 Ų4482.5 Ų82.523%0.2340%0.4CS..Hα-helixtrans-59.1-45.7175.9-78176.5000112.7G25 L30 R31 E63 V64 L67G25-L27 PolarHBondContact O-N 2.71Å; L27-L30 PolarHBondContact O-N 3.07Å; L27-R31 VanDerWaalsContact O-CG 3.32Å; L27-R31 WeakPolarHBondContact O-CG 3.32Å; L27-R31 PolarHBondContact O-N 3.46Å; L27-E63 HydrophobicContact CD1-CB 4.46Å; L27-E63 HydrophobicContact CD2-CB 3.92Å; L27-V64 HydrophobicContact CD1-CG2 4.27Å; L27-V64 HydrophobicContact CD2-CB 4.07Å; L27-V64 HydrophobicContact CD2-CG2 3.34Å; L27-V64 HydrophobicContact CG-CG2 3.41Å; L27-V64 VanDerWaalsContact CG-CG2 3.41Å; L27-L67 HydrophobicContact CD2-CD1 4.01Å
28D87.3Confident81Confident110 Ų11082 Ų8259%0.58840%0.398SS*.Hα-helixtrans-68.4-41.6-176.2-63.5-31.7000111.1G25 L30 R31 E32G25-D28 PolarHBondContact O-N 2.93Å; D28-L30 VanDerWaalsContact C-N 3.32Å; D28-L30 PolarHBondContact O-N 3.4Å; D28-R31 PolarHBondContact O-N 3.33Å; D28-E32 WeakPolarHBondContact O-CB 3.32Å; D28-E32 PolarHBondContact O-N 2.96Å
29L86.3Confident80.6Confident20 Ų2084 Ų8411%0.10541%0.412CS..Hα-helixtrans-63.5-36.4174.4-65.7177.3000112.2I10 K13 L14 M17 G25 L33I10-L29 HydrophobicContact CG1-CD2 4.47Å; I10-L29 HydrophobicContact CG2-CB 4Å; I10-L29 HydrophobicContact CG2-CD2 4.17Å; K13-L29 HydrophobicContact CB-CD1 4.05Å; K13-L29 HydrophobicContact CD-CD2 4.34Å; L14-L29 HydrophobicContact CD2-CB 3.78Å; L14-L29 HydrophobicContact CD2-CD1 3.73Å; L14-L29 HydrophobicContact CD2-CG 4.43Å; L14-L29 HydrophobicContact CG-CB 4.34Å; L14-L29 HydrophobicContact CG-CD1 4.2Å; M17-L29 HydrophobicContact SD-CD1 3.7Å; G25-L29 PolarHBondContact O-N 2.94Å; L29-L33 WeakPolarHBondContact O-CB 3.19Å; L29-L33 VanDerWaalsContact O-CG 3.29Å; L29-L33 WeakPolarHBondContact O-CG 3.36Å; L29-L33 PolarHBondContact O-N 2.89Å
30L86.6Confident80.2Confident1 Ų179.8 Ų79.81%0.00539%0.394CS..Hα-helixtrans-71.5-35.3174.4-70.2174.6000112.5L14 A26 L27 D28 L33 K34 V52 V64 A68 L71L14-L30 HydrophobicContact CD1-CD2 4.43Å; A26-L30 WeakPolarHBondContact O-CB 3.33Å; A26-L30 WeakPolarHBondContact O-CG 3.39Å; A26-L30 PolarHBondContact O-N 3.16Å; L27-L30 PolarHBondContact O-N 3.07Å; D28-L30 VanDerWaalsContact C-N 3.32Å; D28-L30 PolarHBondContact O-N 3.4Å; L30-L33 HydrophobicContact CD2-CD1 4.33Å; L30-L33 PolarHBondContact O-N 3.38Å; L30-K34 WeakPolarHBondContact O-CB 3.43Å; L30-K34 PolarHBondContact O-N 3.36Å; L30-V52 HydrophobicContact CD2-CB 4.47Å; L30-V52 HydrophobicContact CD2-CG1 3.83Å; L30-V52 HydrophobicContact CD2-CG2 3.98Å; L30-V64 HydrophobicContact CD1-CG1 3.7Å; L30-A68 HydrophobicContact CD1-CB 4.21Å; L30-L71 HydrophobicContact CB-CD1 4.39Å; L30-L71 HydrophobicContact CD2-CD1 4.02Å
31R86.5Confident79.7Confident121 Ų12179 Ų7946%0.45739%0.393SS..Hα-helixtrans-67-39.7173.7-73173.7-172.5-87.7-0.5111.2L27 D28 K34 N35 L67L27-R31 VanDerWaalsContact O-CG 3.32Å; L27-R31 WeakPolarHBondContact O-CG 3.32Å; L27-R31 PolarHBondContact O-N 3.46Å; D28-R31 PolarHBondContact O-N 3.33Å; R31-K34 WeakPolarHBondContact O-CB 3.47Å; R31-K34 PolarHBondContact O-N 3.21Å; R31-N35 PolarHBondContact O-N 2.7Å; R31-N35 VanDerWaalsContact O-N 3.17Å; R31-L67 HydrophobicContact CG-CD1 4.3Å
32E86.9Confident79.4Confident87 Ų8770.8 Ų70.841%0.40736%0.359SS..Hα-helixtrans-63.9-44.3174.5-167.8171.4-16500111.3I10 D28 K34 N35 M36I10-E32 HydrophobicContact CD1-CB 4.28Å; I10-E32 HydrophobicContact CD1-CG 3.83Å; D28-E32 WeakPolarHBondContact O-CB 3.32Å; D28-E32 PolarHBondContact O-N 2.96Å; E32-K34 VanDerWaalsContact C-N 3.28Å; E32-K34 PolarHBondContact O-N 2.88Å; E32-N35 PolarHBondContact O-N 2.89Å; E32-M36 PolarHBondContact O-N 2.89Å
33L84.6Confident79.5Confident1 Ų168.3 Ų68.31%0.00535%0.345CS..Hα-helixtrans-61.1-33.5172.5-76.1171.6000113.3V7 I10 L14 L29 L30 M36 V48 V52 L71V7-L33 HydrophobicContact CG1-CD2 4.49Å; I10-L33 HydrophobicContact CB-CD2 4.25Å; I10-L33 HydrophobicContact CB-CG 4.47Å; I10-L33 HydrophobicContact CD1-CD2 4.24Å; I10-L33 HydrophobicContact CD1-CG 4.39Å; I10-L33 HydrophobicContact CG2-CD1 3.77Å; I10-L33 HydrophobicContact CG2-CD2 3.99Å; I10-L33 HydrophobicContact CG2-CG 3.71Å; L14-L33 HydrophobicContact CD1-CD1 3.61Å; L29-L33 WeakPolarHBondContact O-CB 3.19Å; L29-L33 VanDerWaalsContact O-CG 3.29Å; L29-L33 WeakPolarHBondContact O-CG 3.36Å; L29-L33 PolarHBondContact O-N 2.89Å; L30-L33 HydrophobicContact CD2-CD1 4.33Å; L30-L33 PolarHBondContact O-N 3.38Å; L33-M36 HydrophobicContact CD2-CE 3.94Å; L33-V48 HydrophobicContact CD1-CG2 4.2Å; L33-V48 HydrophobicContact CD2-CG2 4.19Å; L33-V52 HydrophobicContact CD1-CG2 3.88Å; L33-L71 HydrophobicContact CB-CD1 4.4Å
34K83.7Confident79.8Confident127 Ų12772.6 Ų72.655%0.55236%0.363SS*.Hα-helixtrans-67.7-36.6177-173.8-177.1175.6-175.20112.7L30 R31 E32 M36 L71L30-K34 WeakPolarHBondContact O-CB 3.43Å; L30-K34 PolarHBondContact O-N 3.36Å; R31-K34 WeakPolarHBondContact O-CB 3.47Å; R31-K34 PolarHBondContact O-N 3.21Å; E32-K34 VanDerWaalsContact C-N 3.28Å; E32-K34 PolarHBondContact O-N 2.88Å; K34-M36 VanDerWaalsContact C-N 3.3Å; K34-L71 HydrophobicContact CB-CD2 3.91Å; K34-L71 HydrophobicContact CG-CD2 4.18Å
35N81.1Confident79.9Confident138 Ų13869.7 Ų69.774%0.73835%0.353SS*.Hα-helixtrans-78.5-16.2-178.3-72.9-10.3000112.8R31 E32R31-N35 PolarHBondContact O-N 2.7Å; R31-N35 VanDerWaalsContact O-N 3.17Å; E32-N35 PolarHBondContact O-N 2.89Å
36M76.9Confident80Confident40 Ų4068.8 Ų68.820%0.19734%0.34CS..SBendtrans-85.2121.5174.7-67.6-162.7-73.500111.6V7 I10 E32 L33 K34 M38V7-M36 HydrophobicContact CG2-CE 3.64Å; V7-M36 HydrophobicContact CG2-SD 4.12Å; I10-M36 HydrophobicContact CD1-CE 3.47Å; I10-M36 VanDerWaalsContact CD1-CE 3.47Å; E32-M36 PolarHBondContact O-N 2.89Å; L33-M36 HydrophobicContact CD2-CE 3.94Å; K34-M36 VanDerWaalsContact C-N 3.3Å; M36-M38 PolarHBondContact O-N 2.65Å; M36-M38 VanDerWaalsContact O-N 3.08Å
37K62.5Low80Confident213 Ų21376.7 Ų76.793%0.92637%0.37SS*.  trans-66108.5170.8-73.3-175.9178.3169.60109.6
38M70.6Confident79.9Confident22 Ų2274.6 Ų74.611%0.10836%0.359CS..  trans-84.6130.6-179.7-65.1-14259.300111.7V7 M36 T42 L43 V48 W75V7-M38 HydrophobicContact CG1-CE 3.87Å; V7-M38 HydrophobicContact CG2-CE 4.42Å; M36-M38 PolarHBondContact O-N 2.65Å; M36-M38 VanDerWaalsContact O-N 3.08Å; M38-T42 HydrophobicContact CE-CG2 3.88Å; M38-L43 HydrophobicContact CE-CD1 4.32Å; M38-V48 HydrophobicContact CE-CG1 3.72Å; M38-V48 HydrophobicContact SD-CG1 4.14Å; M38-W75 HydrophobicContact CG-CZ2 4.2Å; M38-W75 HydrophobicContact SD-CD2 4.15Å; M38-W75 HydrophobicContact SD-CH2 3.89Å; M38-W75 HydrophobicContact SD-CZ2 3.12Å; M38-W75 WeakPolarHBondContact SD-CZ2 3.34Å; M38-W75 PolarHBondContact SD-NE1 2.63Å; M38-W75 VanDerWaalsContact SD-NE1 3.38Å
39S75.4Confident79.8Confident55 Ų5570.6 Ų70.639%0.38534%0.343SS..  trans-94.3154169.2670000111E41 T42 L43S39-E41 VanDerWaalsContact C-N 3.27Å; S39-E41 PolarHBondContact O-N 3.49Å; S39-T42 WeakPolarHBondContact O-CB 3.43Å; S39-T42 PolarHBondContact O-N 3.43Å; S39-T42 VanDerWaalsContact O-N 3.08Å; S39-T42 PolarHBondContact OG-N 2.82Å; S39-T42 PolarHBondContact OG-OG1 3.17Å; S39-L43 PolarHBondContact O-N 3.38Å
40L76.3Confident79.7Confident64 Ų6475.2 Ų75.234%0.33537%0.366SS..Hα-helixtrans-54.8-43.4177.9-179.4149.8000112T42 L43 Q44 L79 A82L40-T42 VanDerWaalsContact C-N 3.32Å; L40-T42 PolarHBondContact O-N 3.42Å; L40-L43 PolarHBondContact O-N 2.95Å; L40-Q44 HydrophobicContact CD2-CG 4.46Å; L40-Q44 PolarHBondContact O-N 3.23Å; L40-L79 HydrophobicContact CD1-CD2 3.99Å; L40-L79 HydrophobicContact CG-CD2 4.02Å; L40-A82 HydrophobicContact CD1-CB 3.84Å
41E73.4Confident79.7Confident152 Ų15275.4 Ų75.471%0.7137%0.367SS*.Hα-helixtrans-61.3-38.3177.1-170.6-177-175.500112.5S39 S45S39-E41 VanDerWaalsContact C-N 3.27Å; S39-E41 PolarHBondContact O-N 3.49Å; E41-S45 WeakPolarHBondContact O-CB 3.31Å; E41-S45 PolarHBondContact O-N 2.85Å; E41-S45 VanDerWaalsContact O-N 3.11Å; E41-S45 PolarHBondContact O-OG 2.82Å
42T76.3Confident79.8Confident14 Ų1469.7 Ų69.79%0.08635%0.345CS..Hα-helixtrans-70.7-37.1176.6-57.40000110.9T4 V7 M38 S39 L40 S45 T46T4-T42 HydrophobicContact CG2-CG2 4.07Å; V7-T42 HydrophobicContact CB-CG2 4.19Å; V7-T42 HydrophobicContact CG1-CG2 4.07Å; V7-T42 HydrophobicContact CG2-CG2 4.2Å; M38-T42 HydrophobicContact CE-CG2 3.88Å; S39-T42 WeakPolarHBondContact O-CB 3.43Å; S39-T42 PolarHBondContact O-N 3.43Å; S39-T42 VanDerWaalsContact O-N 3.08Å; S39-T42 PolarHBondContact OG-N 2.82Å; S39-T42 PolarHBondContact OG-OG1 3.17Å; L40-T42 VanDerWaalsContact C-N 3.32Å; L40-T42 PolarHBondContact O-N 3.42Å; T42-S45 WeakPolarHBondContact CA-OG 3.49Å; T42-S45 PolarHBondContact O-OG 3.37Å; T42-T46 HydrophobicContact CG2-CG2 4Å; T42-T46 VanDerWaalsContact O-CB 3.3Å; T42-T46 WeakPolarHBondContact O-CB 3.28Å; T42-T46 VanDerWaalsContact O-CG2 3.24Å; T42-T46 WeakPolarHBondContact O-CG2 3.49Å; T42-T46 PolarHBondContact O-N 3.03Å; T42-T46 PolarHBondContact O-OG1 3.22Å
43L79.7Confident79.9Confident26 Ų2667.8 Ų67.814%0.13634%0.338CS..Hα-helixtrans-68.1-40.4-180-165111000112.4M38 S39 L40 R47 V48 W75 L79M38-L43 HydrophobicContact CE-CD1 4.32Å; S39-L43 PolarHBondContact O-N 3.38Å; L40-L43 PolarHBondContact O-N 2.95Å; L43-R47 PolarHBondContact O-N 3.46Å; L43-V48 HydrophobicContact CD1-CG1 4.38Å; L43-W75 HydrophobicContact CD1-CB 3.49Å; L43-W75 VanDerWaalsContact CD1-CB 3.49Å; L43-W75 HydrophobicContact CD1-CD2 3.47Å; L43-W75 VanDerWaalsContact CD1-CD2 3.47Å; L43-W75 HydrophobicContact CD1-CE3 3.7Å; L43-W75 HydrophobicContact CD1-CG 3.37Å; L43-L79 HydrophobicContact CD2-CD1 3.73Å; L43-L79 HydrophobicContact CD2-CD2 4.41Å; L43-L79 HydrophobicContact CD2-CG 4.22Å
44Q78.9Confident80.1Confident121 Ų12169 Ų6957%0.56535%0.348SS*.Hα-helixtrans-71.8-43.6179.2-70.8-179.3-13.600112.2L40L40-Q44 HydrophobicContact CD2-CG 4.46Å; L40-Q44 PolarHBondContact O-N 3.23Å
45S77.8Confident80.2Confident69 Ų6963.1 Ų63.148%0.48332%0.323SS..Hα-helixtrans-69.3-45.1-179.552.70000112.7E41 T42E41-S45 WeakPolarHBondContact O-CB 3.31Å; E41-S45 PolarHBondContact O-N 2.85Å; E41-S45 VanDerWaalsContact O-N 3.11Å; E41-S45 PolarHBondContact O-OG 2.82Å; T42-S45 WeakPolarHBondContact CA-OG 3.49Å; T42-S45 PolarHBondContact O-OG 3.37Å
46T81.8Confident80.6Confident18 Ų1859.8 Ų59.811%0.1130%0.3CS..Hα-helixtrans-83.8-17.5-174.165.60000114T4 V7 E8 T42 V48T4-T46 HydrophobicContact CG2-CG2 4.23Å; V7-T46 HydrophobicContact CG1-CG2 4.05Å; E8-T46 HydrophobicContact CG-CG2 3.42Å; E8-T46 VanDerWaalsContact CG-CG2 3.42Å; T42-T46 HydrophobicContact CG2-CG2 4Å; T42-T46 VanDerWaalsContact O-CB 3.3Å; T42-T46 WeakPolarHBondContact O-CB 3.28Å; T42-T46 VanDerWaalsContact O-CG2 3.24Å; T42-T46 WeakPolarHBondContact O-CG2 3.49Å; T42-T46 PolarHBondContact O-N 3.03Å; T42-T46 PolarHBondContact O-OG1 3.22Å; T46-V48 PolarHBondContact O-N 2.98Å
47R82.8Confident81.1Confident168 Ų16864.9 Ų64.963%0.63432%0.321SS*.  trans53.323-176.2-66.8-171.4-110.2-171.30.4114.6L43 G49 M50L43-R47 PolarHBondContact O-N 3.46Å; R47-G49 PolarHBondContact O-N 3.34Å; R47-M50 HydrophobicContact CB-CE 3.63Å; R47-M50 HydrophobicContact CG-CE 3.83Å; R47-M50 PolarHBondContact O-N 3.11Å
48V83.6Confident82.1Confident0 Ų059.3 Ų59.30%030%0.298CS..Hα-helixtrans-56.6-27.4-176.366.80000113.7V7 A11 L33 M38 L43 T46 M50 S51 V52 W75V7-V48 HydrophobicContact CG1-CB 4.21Å; V7-V48 HydrophobicContact CG1-CG1 4.25Å; V7-V48 HydrophobicContact CG1-CG2 4.36Å; A11-V48 HydrophobicContact CB-CB 4.22Å; A11-V48 HydrophobicContact CB-CG2 4.05Å; L33-V48 HydrophobicContact CD1-CG2 4.2Å; L33-V48 HydrophobicContact CD2-CG2 4.19Å; M38-V48 HydrophobicContact CE-CG1 3.72Å; M38-V48 HydrophobicContact SD-CG1 4.14Å; L43-V48 HydrophobicContact CD1-CG1 4.38Å; T46-V48 PolarHBondContact O-N 2.98Å; V48-M50 PolarHBondContact O-N 2.96Å; V48-S51 PolarHBondContact O-N 3.32Å; V48-V52 HydrophobicContact CG2-CG2 4.08Å; V48-V52 WeakPolarHBondContact O-CG2 3.46Å; V48-V52 PolarHBondContact O-N 2.9Å; V48-W75 HydrophobicContact CG1-CH2 4.11Å; V48-W75 HydrophobicContact CG1-CZ3 4.02Å; V48-W75 HydrophobicContact CG2-CH2 4.26Å
49G84.4Confident82.7Confident25 Ų2558.4 Ų58.426%0.25829%0.294SS..Hα-helixtrans-59.4-30.3175.800000113.5R47 N53R47-G49 PolarHBondContact O-N 3.34Å; G49-N53 WeakPolarHBondContact O-CB 3.35Å; G49-N53 PolarHBondContact O-N 3.27Å; G49-N53 VanDerWaalsContact O-N 3.16Å
50M85.2Confident83Confident118 Ų11861.1 Ų61.158%0.58131%0.313SS*.Hα-helixtrans-75.3-45.2175.6-67.9-165.1-72.800111.6R47 V48 V52 N53 A54R47-M50 HydrophobicContact CB-CE 3.63Å; R47-M50 HydrophobicContact CG-CE 3.83Å; R47-M50 PolarHBondContact O-N 3.11Å; V48-M50 PolarHBondContact O-N 2.96Å; M50-V52 PolarHBondContact O-N 3.42Å; M50-N53 PolarHBondContact O-N 2.89Å; M50-A54 WeakPolarHBondContact O-CB 3.19Å; M50-A54 PolarHBondContact O-N 3.19Å
51S85.7Confident83.4Confident5 Ų561.4 Ų61.44%0.03532%0.315CS..Hα-helixtrans-60.5-44.8177.6-440000111.2D15 V48 N53 A54 V55D15-S51 VanDerWaalsContact CG-OG 3.24Å; D15-S51 WeakPolarHBondContact OD1-CA 3.39Å; D15-S51 WeakPolarHBondContact OD1-CB 3.5Å; D15-S51 PolarHBondContact OD1-OG 3.27Å; D15-S51 PolarHBondContact OD2-OG 2.98Å; V48-S51 PolarHBondContact O-N 3.32Å; S51-N53 PolarHBondContact O-N 3.15Å; S51-A54 WeakPolarHBondContact O-CB 3.47Å; S51-A54 PolarHBondContact O-N 3.37Å; S51-V55 VanDerWaalsContact O-CG2 3.3Å; S51-V55 WeakPolarHBondContact O-CG2 2.9Å; S51-V55 PolarHBondContact O-N 3.42Å
52V88.9Confident84Confident0 Ų060.4 Ų60.40%031%0.31CS..Hα-helixtrans-66.2-35.9176.3173.70000112.3L14 L30 L33 V48 M50 R56 A68 I72 W75L14-V52 HydrophobicContact CD1-CG2 3.98Å; L30-V52 HydrophobicContact CD2-CB 4.47Å; L30-V52 HydrophobicContact CD2-CG1 3.83Å; L30-V52 HydrophobicContact CD2-CG2 3.98Å; L33-V52 HydrophobicContact CD1-CG2 3.88Å; V48-V52 HydrophobicContact CG2-CG2 4.08Å; V48-V52 WeakPolarHBondContact O-CG2 3.46Å; V48-V52 PolarHBondContact O-N 2.9Å; M50-V52 PolarHBondContact O-N 3.42Å; V52-R56 PolarHBondContact O-N 2.71Å; V52-A68 HydrophobicContact CG1-CB 3.75Å; V52-I72 HydrophobicContact CG1-CD1 4.3Å; V52-I72 HydrophobicContact CG1-CG1 4.2Å; V52-W75 HydrophobicContact CB-CZ3 4.23Å; V52-W75 HydrophobicContact CG1-CZ3 4.5Å; V52-W75 HydrophobicContact CG2-CH2 3.95Å; V52-W75 HydrophobicContact CG2-CZ3 3.98Å
53N89.2Confident84.4Confident48 Ų4865.2 Ų65.226%0.25733%0.332SS..Hα-helixtrans-71.1-30.6175.2-176.563.6000112.6G49 M50 S51 R56 K57 I72G49-N53 WeakPolarHBondContact O-CB 3.35Å; G49-N53 PolarHBondContact O-N 3.27Å; G49-N53 VanDerWaalsContact O-N 3.16Å; M50-N53 PolarHBondContact O-N 2.89Å; S51-N53 PolarHBondContact O-N 3.15Å; N53-R56 PolarHBondContact OD1-NH1 2.67Å; N53-R56 PolarHBondContact OD1-NH2 2.93Å; N53-K57 WeakPolarHBondContact O-CG 3.35Å; N53-K57 PolarHBondContact O-N 3.16Å; N53-I72 HydrophobicContact CB-CD1 3.99Å
54A88.1Confident84.7Confident26 Ų2664 Ų6422%0.21533%0.325CS..Hα-helixtrans-68.4-46.1173.200000111V18 M50 S51 R56 K57 Q58V18-A54 HydrophobicContact CG1-CB 3.94Å; V18-A54 HydrophobicContact CG2-CB 4.12Å; M50-A54 WeakPolarHBondContact O-CB 3.19Å; M50-A54 PolarHBondContact O-N 3.19Å; S51-A54 WeakPolarHBondContact O-CB 3.47Å; S51-A54 PolarHBondContact O-N 3.37Å; A54-R56 VanDerWaalsContact C-N 3.34Å; A54-R56 PolarHBondContact O-N 3.06Å; A54-K57 PolarHBondContact O-N 3.42Å; A54-K57 VanDerWaalsContact O-N 3.08Å; A54-Q58 PolarHBondContact O-N 3.43Å
55V86.8Confident85.2Confident3 Ų360.1 Ų60.12%0.01831%0.307CS..Hα-helixtrans-56.1-48.6174.2174.40000110.6L14 V18 A26 S51 K57 Q58 S59 V64L14-V55 HydrophobicContact CB-CG2 3.95Å; L14-V55 HydrophobicContact CD2-CG2 3.97Å; L14-V55 HydrophobicContact CG-CG2 4.4Å; V18-V55 HydrophobicContact CG2-CB 4.25Å; V18-V55 HydrophobicContact CG2-CG2 3.47Å; V18-V55 VanDerWaalsContact CG2-CG2 3.47Å; A26-V55 HydrophobicContact CB-CG1 4.01Å; S51-V55 VanDerWaalsContact O-CG2 3.3Å; S51-V55 WeakPolarHBondContact O-CG2 2.9Å; S51-V55 PolarHBondContact O-N 3.42Å; V55-K57 PolarHBondContact O-N 3.28Å; V55-K57 VanDerWaalsContact O-N 3.13Å; V55-Q58 PolarHBondContact O-N 3.49Å; V55-Q58 VanDerWaalsContact O-N 3.13Å; V55-S59 VanDerWaalsContact O-CB 3.3Å; V55-S59 WeakPolarHBondContact O-CB 3.48Å; V55-S59 PolarHBondContact O-N 2.76Å; V55-S59 PolarHBondContact O-OG 3.44Å; V55-V64 HydrophobicContact CG1-CG1 3.71Å
56R88.3Confident85.8Confident68 Ų6860.1 Ų60.126%0.25730%0.304SS..Hα-helixtrans-54-35.5176.7-169.3-159.174.5-155.62.7113.7V52 N53 A54 Q65 A68 K69V52-R56 PolarHBondContact O-N 2.71Å; N53-R56 PolarHBondContact OD1-NH1 2.67Å; N53-R56 PolarHBondContact OD1-NH2 2.93Å; A54-R56 VanDerWaalsContact C-N 3.34Å; A54-R56 PolarHBondContact O-N 3.06Å; R56-Q65 HydrophobicContact CG-CB 4.28Å; R56-Q65 HydrophobicContact CG-CG 4.36Å; R56-A68 HydrophobicContact CB-CB 3.93Å; R56-A68 HydrophobicContact CG-CB 4.19Å; R56-K69 HydrophobicContact CG-CG 4.37Å
57K88.1Confident86.1Confident148 Ų14860.7 Ų60.764%0.64331%0.307SS*.Hα-helixtrans-81.4-26.9-176.7-75.1-180178.8-174.50112.9N53 A54 V55N53-K57 WeakPolarHBondContact O-CG 3.35Å; N53-K57 PolarHBondContact O-N 3.16Å; A54-K57 PolarHBondContact O-N 3.42Å; A54-K57 VanDerWaalsContact O-N 3.08Å; V55-K57 PolarHBondContact O-N 3.28Å; V55-K57 VanDerWaalsContact O-N 3.13Å
58Q83.4Confident86.4Confident95 Ų9552.7 Ų52.744%0.44428%0.276SS..Hα-helixtrans-101.5-20.6-175.4-66.8-173.32.800113.2V18 A54 V55V18-Q58 VanDerWaalsContact CA-OE1 3.24Å; V18-Q58 VanDerWaalsContact CG1-CD 3.41Å; V18-Q58 VanDerWaalsContact CG1-NE2 3.28Å; V18-Q58 PolarHBondContact O-OE1 3.13Å; A54-Q58 PolarHBondContact O-N 3.43Å; V55-Q58 PolarHBondContact O-N 3.49Å; V55-Q58 VanDerWaalsContact O-N 3.13Å
59S82.8Confident86.7Confident4 Ų457.4 Ų57.43%0.02830%0.297CS..  trans-75.2127.417561.50000111.6V55 D61 V64 Q65V55-S59 VanDerWaalsContact O-CB 3.3Å; V55-S59 WeakPolarHBondContact O-CB 3.48Å; V55-S59 PolarHBondContact O-N 2.76Å; V55-S59 PolarHBondContact O-OG 3.44Å; S59-D61 VanDerWaalsContact C-N 3.3Å; S59-V64 WeakPolarHBondContact OG-CG1 3.42Å; S59-Q65 PolarHBondContact O-NE2 3.42Å
60S82.4Confident86.9Confident111 Ų11160.4 Ų60.478%0.77631%0.31SS*.  trans-81.2-10.4170.1-57.30000112.9
61D83.7Confident87Confident70 Ų7055.3 Ų55.337%0.37429%0.286SS..  trans-80.1119.9-177.9-53.8-47.6000112.1S59 E63 V64 Q65S59-D61 VanDerWaalsContact C-N 3.3Å; D61-E63 VanDerWaalsContact C-N 3.26Å; D61-E63 PolarHBondContact O-N 3.2Å; D61-V64 HydrophobicContact CB-CB 4.04Å; D61-V64 HydrophobicContact CB-CG2 3.67Å; D61-V64 PolarHBondContact O-N 3.31Å; D61-V64 VanDerWaalsContact O-N 3.16Å; D61-Q65 WeakPolarHBondContact O-CG 3.4Å; D61-Q65 PolarHBondContact O-N 2.91Å; D61-Q65 VanDerWaalsContact O-N 3.08Å
62E85.9Confident87.2Confident131 Ų13156.2 Ų56.261%0.61229%0.29SS*.Hα-helixtrans-59.8-34.6179-74.5-66.6142.600112.6Q65 T66E62-Q65 PolarHBondContact O-N 3.09Å; E62-T66 WeakPolarHBondContact O-CB 3.18Å; E62-T66 VanDerWaalsContact O-CG2 3.23Å; E62-T66 WeakPolarHBondContact O-CG2 3.23Å; E62-T66 PolarHBondContact O-N 3.32Å; E62-T66 PolarHBondContact O-OG1 2.85Å
63E85.2Confident87.1Confident115 Ų11564 Ų6454%0.53732%0.324SS..Hα-helixtrans-66.6-40.6176.4-65.4-166.1-174.900112.6L27 D61 T66 L67L27-E63 HydrophobicContact CD1-CB 4.46Å; L27-E63 HydrophobicContact CD2-CB 3.92Å; D61-E63 VanDerWaalsContact C-N 3.26Å; D61-E63 PolarHBondContact O-N 3.2Å; E63-T66 WeakPolarHBondContact CA-OG1 3.25Å; E63-T66 PolarHBondContact O-OG1 3.34Å; E63-L67 WeakPolarHBondContact O-CB 3.25Å; E63-L67 WeakPolarHBondContact O-CG 3.3Å; E63-L67 PolarHBondContact O-N 3.23Å; E63-L67 VanDerWaalsContact O-N 3.09Å
64V86.4Confident87Confident0 Ų064.3 Ų64.30%033%0.33CS..Hα-helixtrans-64-46.2176.61760000109.4A26 L27 L30 V55 S59 D61 T66 A68A26-V64 HydrophobicContact CB-CG1 4.39Å; L27-V64 HydrophobicContact CD1-CG2 4.27Å; L27-V64 HydrophobicContact CD2-CB 4.07Å; L27-V64 HydrophobicContact CD2-CG2 3.34Å; L27-V64 HydrophobicContact CG-CG2 3.41Å; L27-V64 VanDerWaalsContact CG-CG2 3.41Å; L30-V64 HydrophobicContact CD1-CG1 3.7Å; V55-V64 HydrophobicContact CG1-CG1 3.71Å; S59-V64 WeakPolarHBondContact OG-CG1 3.42Å; D61-V64 HydrophobicContact CB-CB 4.04Å; D61-V64 HydrophobicContact CB-CG2 3.67Å; D61-V64 PolarHBondContact O-N 3.31Å; D61-V64 VanDerWaalsContact O-N 3.16Å; V64-T66 PolarHBondContact O-N 3.4Å; V64-A68 VanDerWaalsContact O-CB 3.23Å; V64-A68 WeakPolarHBondContact O-CB 3.38Å; V64-A68 PolarHBondContact O-N 3.17Å
65Q88.2Confident87Confident40 Ų4063.7 Ų63.719%0.18732%0.322CS..Hα-helixtrans-64.7-42.2-178.5-67.7-169.317.200112.6R56 S59 D61 E62 K69R56-Q65 HydrophobicContact CG-CB 4.28Å; R56-Q65 HydrophobicContact CG-CG 4.36Å; S59-Q65 PolarHBondContact O-NE2 3.42Å; D61-Q65 WeakPolarHBondContact O-CG 3.4Å; D61-Q65 PolarHBondContact O-N 2.91Å; D61-Q65 VanDerWaalsContact O-N 3.08Å; E62-Q65 PolarHBondContact O-N 3.09Å; Q65-K69 WeakPolarHBondContact O-CB 3.17Å; Q65-K69 WeakPolarHBondContact O-CD 3.3Å; Q65-K69 WeakPolarHBondContact O-CG 3.44Å; Q65-K69 PolarHBondContact O-N 3.49Å
66T90.3Very high86.8Confident69 Ų6969.6 Ų69.642%0.42335%0.347SS..Hα-helixtrans-69.1-42.1-179.351.20000112.1E62 E63 V64 K69 T70E62-T66 WeakPolarHBondContact O-CB 3.18Å; E62-T66 VanDerWaalsContact O-CG2 3.23Å; E62-T66 WeakPolarHBondContact O-CG2 3.23Å; E62-T66 PolarHBondContact O-N 3.32Å; E62-T66 PolarHBondContact O-OG1 2.85Å; E63-T66 WeakPolarHBondContact CA-OG1 3.25Å; E63-T66 PolarHBondContact O-OG1 3.34Å; V64-T66 PolarHBondContact O-N 3.4Å; T66-K69 PolarHBondContact O-N 3.37Å; T66-T70 WeakPolarHBondContact O-CB 3.44Å; T66-T70 PolarHBondContact O-N 2.88Å; T66-T70 PolarHBondContact O-OG1 3.39Å
67L88.5Confident86.6Confident30 Ų3074.3 Ų74.316%0.15737%0.369CS..Hα-helixtrans-64-45.1174-73.3176.1000111.7L27 R31 E63 K69 T70 L71L27-L67 HydrophobicContact CD2-CD1 4.01Å; R31-L67 HydrophobicContact CG-CD1 4.3Å; E63-L67 WeakPolarHBondContact O-CB 3.25Å; E63-L67 WeakPolarHBondContact O-CG 3.3Å; E63-L67 PolarHBondContact O-N 3.23Å; E63-L67 VanDerWaalsContact O-N 3.09Å; L67-K69 PolarHBondContact O-N 3.05Å; L67-T70 PolarHBondContact O-N 3.07Å; L67-L71 WeakPolarHBondContact O-CG 3.34Å; L67-L71 PolarHBondContact O-N 3.27Å
68A88.8Confident86.1Confident0 Ų071.6 Ų71.60%036%0.362CS..Hα-helixtrans-61.5-43176.100000112.3L30 V52 R56 V64 T70 L71 I72L30-A68 HydrophobicContact CD1-CB 4.21Å; V52-A68 HydrophobicContact CG1-CB 3.75Å; R56-A68 HydrophobicContact CB-CB 3.93Å; R56-A68 HydrophobicContact CG-CB 4.19Å; V64-A68 VanDerWaalsContact O-CB 3.23Å; V64-A68 WeakPolarHBondContact O-CB 3.38Å; V64-A68 PolarHBondContact O-N 3.17Å; A68-T70 VanDerWaalsContact C-N 3.3Å; A68-T70 PolarHBondContact O-N 3.27Å; A68-L71 PolarHBondContact O-N 2.69Å; A68-I72 WeakPolarHBondContact O-CD1 3.45Å; A68-I72 VanDerWaalsContact O-CG1 3.22Å; A68-I72 WeakPolarHBondContact O-CG1 3.46Å; A68-I72 PolarHBondContact O-N 3.46Å
69K90.1Very high85.5Confident99 Ų9970 Ų7043%0.4336%0.356SS..Hα-helixtrans-59.8-40.9175-75.2166.8-1711650111.7R56 Q65 T66 L67 K73R56-K69 HydrophobicContact CG-CG 4.37Å; Q65-K69 WeakPolarHBondContact O-CB 3.17Å; Q65-K69 WeakPolarHBondContact O-CD 3.3Å; Q65-K69 WeakPolarHBondContact O-CG 3.44Å; Q65-K69 PolarHBondContact O-N 3.49Å; T66-K69 PolarHBondContact O-N 3.37Å; L67-K69 PolarHBondContact O-N 3.05Å; K69-K73 WeakPolarHBondContact O-CB 3.48Å; K69-K73 PolarHBondContact O-N 3.14Å
70T89.6Confident84.9Confident88 Ų8875.8 Ų75.854%0.5439%0.386SS..Hα-helixtrans-66.8-43.8-179.7-56.50000111.5T66 L67 A68 K73 S74T66-T70 WeakPolarHBondContact O-CB 3.44Å; T66-T70 PolarHBondContact O-N 2.88Å; T66-T70 PolarHBondContact O-OG1 3.39Å; L67-T70 PolarHBondContact O-N 3.07Å; A68-T70 VanDerWaalsContact C-N 3.3Å; A68-T70 PolarHBondContact O-N 3.27Å; T70-K73 PolarHBondContact O-N 2.95Å; T70-S74 PolarHBondContact O-N 2.7Å; T70-S74 PolarHBondContact O-OG 2.95Å
71L87.2Confident83.8Confident12 Ų1273.6 Ų73.66%0.06338%0.381CS..Hα-helixtrans-63.2-44.7175.6-70.6170.9000112.3L30 L33 K34 L67 A68 K73 S74 W75L30-L71 HydrophobicContact CB-CD1 4.39Å; L30-L71 HydrophobicContact CD2-CD1 4.02Å; L33-L71 HydrophobicContact CB-CD1 4.4Å; K34-L71 HydrophobicContact CB-CD2 3.91Å; K34-L71 HydrophobicContact CG-CD2 4.18Å; L67-L71 WeakPolarHBondContact O-CG 3.34Å; L67-L71 PolarHBondContact O-N 3.27Å; A68-L71 PolarHBondContact O-N 2.69Å; L71-K73 VanDerWaalsContact C-N 3.26Å; L71-K73 PolarHBondContact O-N 3.19Å; L71-S74 PolarHBondContact O-N 3.36Å; L71-S74 PolarHBondContact O-OG 3.38Å; L71-W75 HydrophobicContact CB-CH2 4.18Å; L71-W75 HydrophobicContact CB-CZ2 4.09Å; L71-W75 HydrophobicContact CB-CZ3 4.44Å; L71-W75 HydrophobicContact CD2-CZ2 4.13Å; L71-W75 HydrophobicContact CG-CZ2 4.5Å; L71-W75 WeakPolarHBondContact O-CB 3.44Å; L71-W75 VanDerWaalsContact O-CD2 3.31Å; L71-W75 PolarHBondContact O-N 2.94Å
72I88.6Confident82.2Confident24 Ų2473.5 Ų73.512%0.12339%0.39CS..Hα-helixtrans-61.6-38.6177.1-66.4163.4000110.7V52 N53 A68 K76V52-I72 HydrophobicContact CG1-CD1 4.3Å; V52-I72 HydrophobicContact CG1-CG1 4.2Å; N53-I72 HydrophobicContact CB-CD1 3.99Å; A68-I72 WeakPolarHBondContact O-CD1 3.45Å; A68-I72 VanDerWaalsContact O-CG1 3.22Å; A68-I72 WeakPolarHBondContact O-CG1 3.46Å; A68-I72 PolarHBondContact O-N 3.46Å; I72-K76 HydrophobicContact CG2-CD 4.26Å; I72-K76 WeakPolarHBondContact O-CB 3.19Å; I72-K76 VanDerWaalsContact O-CG 3.28Å; I72-K76 WeakPolarHBondContact O-CG 3.41Å; I72-K76 PolarHBondContact O-N 3.1Å
73K88.8Confident80.1Confident163 Ų16375.2 Ų75.271%0.70940%0.398SS*.Hα-helixtrans-68.6-42.5178.3-173.5179.2-78.9-178.80112.1K69 T70 L71 W75 K76 K77K69-K73 WeakPolarHBondContact O-CB 3.48Å; K69-K73 PolarHBondContact O-N 3.14Å; T70-K73 PolarHBondContact O-N 2.95Å; L71-K73 VanDerWaalsContact C-N 3.26Å; L71-K73 PolarHBondContact O-N 3.19Å; K73-W75 VanDerWaalsContact C-N 3.35Å; K73-K76 PolarHBondContact O-N 3.35Å; K73-K77 PolarHBondContact O-N 2.95Å; K73-K77 VanDerWaalsContact O-N 3.14Å
74S85.6Confident77.8Confident55 Ų5573.3 Ų73.339%0.38541%0.409SS..Hα-helixtrans-65.4-38.6177.7630000111.9T70 L71 K77 L78T70-S74 PolarHBondContact O-N 2.7Å; T70-S74 PolarHBondContact O-OG 2.95Å; L71-S74 PolarHBondContact O-N 3.36Å; L71-S74 PolarHBondContact O-OG 3.38Å; S74-K77 PolarHBondContact O-N 3.06Å; S74-L78 PolarHBondContact O-N 3.1Å
75W87.7Confident75.6Confident13 Ų1383 Ų835%0.04945%0.451CS..Hα-helixtrans-70.9-36.8176.8-63.4-19.9000113.7M38 L43 V48 V52 L71 K73 K77 L78 L79M38-W75 HydrophobicContact CG-CZ2 4.2Å; M38-W75 HydrophobicContact SD-CD2 4.15Å; M38-W75 HydrophobicContact SD-CH2 3.89Å; M38-W75 HydrophobicContact SD-CZ2 3.12Å; M38-W75 WeakPolarHBondContact SD-CZ2 3.34Å; M38-W75 PolarHBondContact SD-NE1 2.63Å; M38-W75 VanDerWaalsContact SD-NE1 3.38Å; L43-W75 HydrophobicContact CD1-CB 3.49Å; L43-W75 VanDerWaalsContact CD1-CB 3.49Å; L43-W75 HydrophobicContact CD1-CD2 3.47Å; L43-W75 VanDerWaalsContact CD1-CD2 3.47Å; L43-W75 HydrophobicContact CD1-CE3 3.7Å; L43-W75 HydrophobicContact CD1-CG 3.37Å; V48-W75 HydrophobicContact CG1-CH2 4.11Å; V48-W75 HydrophobicContact CG1-CZ3 4.02Å; V48-W75 HydrophobicContact CG2-CH2 4.26Å; V52-W75 HydrophobicContact CB-CZ3 4.23Å; V52-W75 HydrophobicContact CG1-CZ3 4.5Å; V52-W75 HydrophobicContact CG2-CH2 3.95Å; V52-W75 HydrophobicContact CG2-CZ3 3.98Å; L71-W75 HydrophobicContact CB-CH2 4.18Å; L71-W75 HydrophobicContact CB-CZ2 4.09Å; L71-W75 HydrophobicContact CB-CZ3 4.44Å; L71-W75 HydrophobicContact CD2-CZ2 4.13Å; L71-W75 HydrophobicContact CG-CZ2 4.5Å; L71-W75 WeakPolarHBondContact O-CB 3.44Å; L71-W75 VanDerWaalsContact O-CD2 3.31Å; L71-W75 PolarHBondContact O-N 2.94Å; K73-W75 VanDerWaalsContact C-N 3.35Å; W75-K77 VanDerWaalsContact C-N 3.33Å; W75-K77 PolarHBondContact O-N 3.06Å; W75-L78 PolarHBondContact O-N 3.32Å; W75-L79 PolarHBondContact O-N 2.98Å
76K84.2Confident73.2Confident126 Ų12686.9 Ų86.955%0.54848%0.48SS..Hα-helixtrans-60.3-42.7171.6-79.1-178.8174.8-1640111.9I72 K73 L78 L79 D80I72-K76 HydrophobicContact CG2-CD 4.26Å; I72-K76 WeakPolarHBondContact O-CB 3.19Å; I72-K76 VanDerWaalsContact O-CG 3.28Å; I72-K76 WeakPolarHBondContact O-CG 3.41Å; I72-K76 PolarHBondContact O-N 3.1Å; K73-K76 PolarHBondContact O-N 3.35Å; K76-L78 PolarHBondContact O-N 3.33Å; K76-L79 WeakPolarHBondContact O-CB 3.4Å; K76-L79 PolarHBondContact O-N 3.26Å; K76-D80 PolarHBondContact O-N 3.45Å
77K83.3Confident70.5Confident167 Ų16790.5 Ų90.573%0.72650%0.497SS*.Hα-helixtrans-61.1-30.3176.4-169.5174.6-178.3177.60113K73 S74 W75 G81K73-K77 PolarHBondContact O-N 2.95Å; K73-K77 VanDerWaalsContact O-N 3.14Å; S74-K77 PolarHBondContact O-N 3.06Å; W75-K77 VanDerWaalsContact C-N 3.33Å; W75-K77 PolarHBondContact O-N 3.06Å; K77-G81 PolarHBondContact O-N 2.86Å
78L76.8Confident67.9Low92 Ų9297.2 Ų97.248%0.48253%0.527SS..Hα-helixtrans-75.9-23.6174.8-66.6173.8000113.2S74 W75 K76S74-L78 PolarHBondContact O-N 3.1Å; W75-L78 PolarHBondContact O-N 3.32Å; K76-L78 PolarHBondContact O-N 3.33Å
79L72.1Confident65.1Low62 Ų62106.1 Ų106.133%0.32557%0.566SS.*Hα-helixtrans-81.5-43.2173.1-70.8166.6000111.2L40 L43 W75 K76 G81 A82L40-L79 HydrophobicContact CD1-CD2 3.99Å; L40-L79 HydrophobicContact CG-CD2 4.02Å; L43-L79 HydrophobicContact CD2-CD1 3.73Å; L43-L79 HydrophobicContact CD2-CD2 4.41Å; L43-L79 HydrophobicContact CD2-CG 4.22Å; W75-L79 PolarHBondContact O-N 2.98Å; K76-L79 WeakPolarHBondContact O-CB 3.4Å; K76-L79 PolarHBondContact O-N 3.26Å; L79-G81 PolarHBondContact O-N 3.33Å; L79-A82 PolarHBondContact O-N 3.05Å
80D70.3Confident62.3Low125 Ų125109.8 Ų109.867%0.66858%0.582SS**Hα-helixtrans-71.1-17.4179.8-64.9-27.1000112.9K76K76-D80 PolarHBondContact O-N 3.45Å
81G58.1Low59.3Low64 Ų64115.7 Ų115.766%0.6660%0.6SS**THydrogen-bonded Turntrans-86.6-9.2176.900000115.5K77 L79K77-G81 PolarHBondContact O-N 2.86Å; L79-G81 PolarHBondContact O-N 3.33Å
82A51.3Low56.5Low68 Ų68123.1 Ų123.156%0.56263%0.634SS**SBendtrans-89.7-14.9179.300000113.1L40 L79L40-A82 HydrophobicContact CD1-CB 3.84Å; L79-A82 PolarHBondContact O-N 3.05Å
83E41.1Very low53.5Low168 Ų168125.7 Ų125.779%0.78567%0.667SS**SBendtrans-104.6100.4173-56.6-108.7117.900107
84G36.8Very low50.7Low74 Ų74122.9 Ų122.976%0.76367%0.668SS**  trans-55.6144.7-175.900000112.8
85K39.5Very low48Very low203 Ų203127.5 Ų127.588%0.88369%0.688SS**  179.5179.457-119.1-179.8-175.91780109.7
86P39.1Very low45Very low122 Ų122134.1 Ų134.179%0.79273%0.729SS**  -87.8166.5-101.436.6-16.8000116.6
87D34Very low42.4Very low146 Ų146138.5 Ų138.578%0.78174%0.742SS**  trans-73.4138.5170.7-153.7-64.3000111.4
88E33.7Very low39.7Very low171 Ų171136 Ų13680%0.79975%0.746SS**  trans179.593.2146.6-99.7-87.512600110.1
89K29.8Very low37.4Very low187 Ų187136.8 Ų136.881%0.81376%0.759SS**  177.1103116.7-101.2180-179.9172.70112.1
90K32.1Very low35.3Very low175 Ų175139.4 Ų139.476%0.76178%0.782SS**  trans-54.8126.2155.6-168.8178.4-174.9-178.20110.6
91K26.2Very low33.2Very low212 Ų212139.2 Ų139.292%0.92279%0.786SS**  trans-144.3108.9139.3-136.8-179.7-175.1-176.70110.1
92E27.7Very low31.7Very low168 Ų168145.2 Ų145.279%0.78579%0.794SS**  trans-76.2140.9171.3-161.7167.1-174.800108.5
93G25.6Very low30.6Very low79 Ų79151.6 Ų151.681%0.81481%0.809SS**  trans-170.894.2-177.900000110.3
94S29.4Very low29.7Very low103 Ų103150.2 Ų150.272%0.7281%0.807SS**  trans-67149.6-166-1560000117.2
95L28.5Very low29.2Very low153 Ų153151.6 Ų151.680%0.80181%0.805SS**  trans32.8121139.2-67.5164.9000120.2
96V26.2Very low28.4Very low152 Ų152145.2 Ų145.292%0.92180%0.797SS**  -148.5132.1117-157.20000111.1
97R29.3Very low27.8Very low217 Ų217145.1 Ų145.182%0.81980%0.799SS**  trans-72.6142.7169.7171.4-177.7-175.21690.9110.5
98S26.5Very low27.3Very low116 Ų116143.2 Ų143.281%0.81179%0.793SS**  -179.8130.8124.3-790000113.1
99S28.8Very low26.9Very low108 Ų108142.4 Ų142.476%0.75579%0.789SS**  trans-75.5140.9160.348.80000111.2
100S27.5Very low26.8Very low116 Ų116141.5 Ų141.581%0.81179%0.785SS**  trans-170.2130.5132.246.90000112.4
101T26.6Very low26.5Very low121 Ų121137.1 Ų137.174%0.74278%0.777SS**  trans-50.4145.6156.230.60000114.1
102F26.9Very low26.5Very low190 Ų190132.1 Ų132.183%0.83377%0.769SS**  -177.8121129.1-83-66.1000106.6
103K27.2Very low26.4Very low202 Ų202131.6 Ų131.688%0.87877%0.766SS**  39.7134.696.6-75.6-170177.2-173.70112.9
104D22.5Very low26.5Very low140 Ų140137 Ų13775%0.74977%0.767SS**  cis-176.7167.110.2167.948.8000107.1
105S26.5Very low26.3Very low102 Ų102137.6 Ų137.671%0.71377%0.772SS**  trans70.5136.3161.4-70.50000118.4
106G22.8Very low26.4Very low69 Ų69136.8 Ų136.871%0.71177%0.773SS**  cis130.412212.500000110.4
107S26.5Very low26.4Very low121 Ų121138.5 Ų138.585%0.84677%0.77SS**  trans80.7157.1155.8-161.30000119.6
108T23.7Very low26.2Very low106 Ų106134.3 Ų134.365%0.6577%0.769SS**  -163.5155.3-52.3-44.40000105.5
109E25.3Very low26.9Very low154 Ų154134.2 Ų134.272%0.7277%0.766SS**  trans73.2149.8154.5-53.1-135.8150.900118.8
110K26.3Very low26.6Very low167 Ų167135.5 Ų135.573%0.72677%0.769SS**  cis-170.4165.811.1-142.9178.2175.3159.70112
111S26.2Very low26.6Very low84 Ų84136.1 Ų136.159%0.58777%0.768SS**  trans85.3112.3141.7-70.90000120.1
112S26.7Very low27.3Very low107 Ų107135.8 Ų135.875%0.74877%0.768SS**  89.4140.695.3-73.10000112
113E26.4Very low27.5Very low156 Ų156132.9 Ų132.973%0.72977%0.767SS**  cis-171.6160.28.6-116.1-177.8-165.900109.9
114K25.8Very low28Very low192 Ų192128.9 Ų128.984%0.83576%0.759SS**  trans64.6146.9156.1-85.4170.3175.7168.70119.7
115S25.1Very low29Very low117 Ų117127.8 Ų127.882%0.81876%0.759SS**  cis-162.316624.931.40000112.4
116V30.8Very low29.5Very low135 Ų135130 Ų13082%0.81876%0.758SS**  trans-79.8148.2-178.2171.60000112.7
117E26.8Very low30.3Very low188 Ų188138 Ų13888%0.87977%0.767SS**  trans175.6141.4131.9-96.1177.1-168.500114
118T25Very low30.8Very low130 Ų130141.9 Ų141.980%0.79877%0.768SS**  trans-99.3179.416347.20000108.8
119P40.8Very low31.7Very low114 Ų114141.8 Ų141.874%0.7477%0.768SS**  cis-138.1-165.4736.1-12.4000114.9
120T23.8Very low32.4Very low134 Ų134138.9 Ų138.982%0.82277%0.765SS**  trans125.7115.9146.7-22.30000117.2
121T26.1Very low32.9Very low129 Ų129138.9 Ų138.979%0.79177%0.765SS**  trans-78.6168.4167.1-5.10000111.3
122P43.2Very low34.2Very low114 Ų114139 Ų13974%0.7476%0.764SS**  -151.8172.756.437.4-14.1000118.7
123T29.2Very low35.6Very low130 Ų130138.1 Ų138.180%0.79876%0.755SS**  trans116.9116.7148.7-42.60000117.2
124V38.9Very low36.9Very low118 Ų118132.8 Ų132.872%0.71574%0.738SS**  trans-101.1169.2-179.1-1410000109.6
125P43.7Very low38.5Very low116 Ų116125.6 Ų125.675%0.75371%0.711SS**  -144.7137.869.128.1-4.1000118.3
126H36.6Very low40.1Very low149 Ų149126.6 Ų126.669%0.6971%0.712SS**  trans57.5105.5138-66.9-73.9000122.2
127R39.2Very low41.8Very low238 Ų238121 Ų12190%0.89868%0.678SS**  -127.2129.1129.7-90.8-177.1177.1162.8-0108.4T129R127-T129 PolarHBondContact O-N 3.07Å; R127-T129 VanDerWaalsContact O-N 3.15Å
128F37.9Very low43.8Very low201 Ų201118.9 Ų118.988%0.88268%0.678SS**  trans-55.3114.4-178.2-74.1-94.6000110.8
129T41.3Very low46.5Very low104 Ų104115.2 Ų115.264%0.63865%0.654SS**  trans-102.1111.3169.972.60000107.3R127 F131R127-T129 PolarHBondContact O-N 3.07Å; R127-T129 VanDerWaalsContact O-N 3.15Å; T129-F131 PolarHBondContact O-N 3.48Å
130S40.1Very low48.5Very low93 Ų93116.5 Ų116.565%0.6565%0.654SS**PPolyproline II helixtrans-62.5119.9160.9420000107.8
131F37.1Very low51.5Low168 Ų168112.8 Ų112.874%0.73763%0.632SS**SBendtrans-90.8139.8170.7-106.6-102.9000108.7T129 P133T129-F131 PolarHBondContact O-N 3.48Å; F131-P133 HydrophobicContact CE1-CG 4.21Å; F131-P133 HydrophobicContact CZ-CG 4.37Å
132P54.8Low54.5Low86 Ų86107.9 Ų107.956%0.55860%0.598SS**SBendcis-87.7155.110.10.818.1000114.1H168P132-H168 PolarHBondContact O-CE1 3.16Å
133P54.8Low56.7Low88 Ų88105 Ų10557%0.57158%0.579SS**PPolyproline II helixtrans-64139177.1-1528.7000111.5F131F131-P133 HydrophobicContact CE1-CG 4.21Å; F131-P133 HydrophobicContact CZ-CG 4.37Å
134A53.3Low59.7Low45 Ų45105.2 Ų105.237%0.37257%0.569SS.*PPolyproline II helixtrans-58.6128.7170.200000109.5V136 H168 A171A134-V136 PolarHBondContact O-N 3.31Å; A134-H168 WeakPolarHBondContact CA-ND1 3.34Å; A134-A171 HydrophobicContact CB-CB 4.36Å
135P59.8Low62.2Low41 Ų4199.8 Ų99.827%0.26654%0.536SS..  trans-63.9107.7-179.121.6-29.9000109.1T137 R146 A171 E175P135-T137 PolarHBondContact O-N 2.97Å; P135-R146 PolarHBondContact O-NH1 3.19Å; P135-R146 PolarHBondContact O-NH2 3.38Å; P135-A171 HydrophobicContact CG-CB 4.33Å; P135-E175 HydrophobicContact CB-CG 4.26Å; P135-E175 HydrophobicContact CG-CB 3.93Å; P135-E175 HydrophobicContact CG-CG 4.05Å
136V60.1Low64.5Low137 Ų13795.7 Ų95.783%0.8351%0.506SS*.  trans-73.9127-177.4-173.40000109.4A134A134-V136 PolarHBondContact O-N 3.31Å
137T66.6Low67.2Low19 Ų1994.3 Ų94.312%0.11750%0.499CS..  trans-110.1145.4178.654.70000111P135 R142 R146P135-T137 PolarHBondContact O-N 2.97Å; T137-R142 HydrophobicContact CG2-CB 4.42Å; T137-R142 VanDerWaalsContact CG2-NH2 3.26Å; T137-R146 PolarHBondContact OG1-NH1 3.31Å
138T68.5Low69.7Low143 Ų14387.1 Ų87.188%0.87748%0.478SS*.  trans-101.9-7.8-179.451.10000113.4
139D80.2Confident72.3Confident52 Ų5277.5 Ų77.528%0.27844%0.436SS..  trans-86.6121179.8-177.9-10.5000110.8V141 R142 T143 T184D139-V141 PolarHBondContact O-N 2.99Å; D139-V141 VanDerWaalsContact O-N 3.16Å; D139-V141 WeakPolarHBondContact OD1-CB 3.46Å; D139-V141 PolarHBondContact OD1-N 2.96Å; D139-R142 HydrophobicContact CB-CB 4.04Å; D139-R142 HydrophobicContact CB-CG 3.77Å; D139-R142 WeakPolarHBondContact O-CA 3.2Å; D139-R142 WeakPolarHBondContact O-CB 3.48Å; D139-R142 PolarHBondContact O-N 2.6Å; D139-T143 PolarHBondContact O-N 3.49Å; D139-T143 PolarHBondContact O-OG1 3.3Å; D139-T184 PolarHBondContact OD2-OG1 2.9Å
140N83.7Confident74.8Confident141 Ų14173.5 Ų73.575%0.75441%0.411SS*.Hα-helixtrans-53.9-33.5177.5-77.1-34000113.4K144N140-K144 WeakPolarHBondContact O-CB 3.29Å; N140-K144 PolarHBondContact O-N 3.49Å; N140-K144 VanDerWaalsContact O-N 3.1Å
141V86.6Confident77.3Confident57 Ų5771.7 Ų71.735%0.34540%0.402SS..Hα-helixtrans-70.6-38.7177.1-177.30000110.5D139 S145 T184D139-V141 PolarHBondContact O-N 2.99Å; D139-V141 VanDerWaalsContact O-N 3.16Å; D139-V141 WeakPolarHBondContact OD1-CB 3.46Å; D139-V141 PolarHBondContact OD1-N 2.96Å; V141-S145 WeakPolarHBondContact O-CB 3.4Å; V141-S145 PolarHBondContact O-N 2.77Å; V141-S145 PolarHBondContact O-OG 3.35Å; V141-S145 VanDerWaalsContact O-OG 3.1Å; V141-T184 HydrophobicContact CB-CG2 3.72Å; V141-T184 HydrophobicContact CG1-CG2 3.47Å; V141-T184 VanDerWaalsContact CG1-CG2 3.47Å; V141-T184 HydrophobicContact CG2-CG2 4.18Å
142R89.4Confident79.9Confident25 Ų2563.7 Ų63.79%0.09437%0.367CS..Hα-helixtrans-68-43178.1-64.7-17467.1-167.1-5.9111.3T137 D139 S145 R146 E174 E175 F178T137-R142 HydrophobicContact CG2-CB 4.42Å; T137-R142 VanDerWaalsContact CG2-NH2 3.26Å; D139-R142 HydrophobicContact CB-CB 4.04Å; D139-R142 HydrophobicContact CB-CG 3.77Å; D139-R142 WeakPolarHBondContact O-CA 3.2Å; D139-R142 WeakPolarHBondContact O-CB 3.48Å; D139-R142 PolarHBondContact O-N 2.6Å; R142-S145 VanDerWaalsContact C-OG 3.23Å; R142-S145 WeakPolarHBondContact CA-OG 3.31Å; R142-S145 PolarHBondContact O-N 2.62Å; R142-S145 PolarHBondContact O-OG 3.42Å; R142-R146 WeakPolarHBondContact O-CG 3.45Å; R142-R146 PolarHBondContact O-N 3.15Å; R142-E174 WeakPolarHBondContact CB-OE1 3.29Å; R142-E174 WeakPolarHBondContact CG-OE1 3.3Å; R142-E174 IonicContact CZ-OE1 2.71Å; R142-E174 IonicContact CZ-OE2 2.93Å; R142-E174 IonicContact NE-OE1 3.41Å; R142-E174 PolarHBondContact NE-OE1 3.47Å; R142-E174 IonicContact NE-OE2 2.96Å; R142-E174 IonicContact NH2-OE1 2.63Å; R142-E174 PolarHBondContact NH2-OE1 3.08Å; R142-E174 IonicContact NH2-OE2 2.91Å; R142-E174 PolarHBondContact NH2-OE2 2.97Å; R142-E175 IonicContact CZ-OE2 3.72Å; R142-E175 IonicContact NH1-OE2 2.69Å; R142-E175 IonicContact NH2-OE2 3.39Å; R142-E175 PolarHBondContact NH2-OE2 2.83Å; R142-F178 VanDerWaalsContact CZ-CG 3.48Å
143T89.9Confident81.5Confident53 Ų5359.6 Ų59.633%0.32534%0.341SS..Hα-helixtrans-59.7-49.5174.8-51.20000111.3D139 S145 R146 E147D139-T143 PolarHBondContact O-N 3.49Å; D139-T143 PolarHBondContact O-OG1 3.3Å; T143-S145 VanDerWaalsContact C-N 3.29Å; T143-S145 PolarHBondContact O-N 3.07Å; T143-R146 WeakPolarHBondContact O-CB 3.33Å; T143-R146 PolarHBondContact O-N 2.92Å; T143-R146 VanDerWaalsContact O-N 3.1Å; T143-E147 PolarHBondContact O-N 3.14Å
144K91Very high83.1Confident136 Ų13659.2 Ų59.259%0.59133%0.331SS*.Hα-helixtrans-63.8-33.8177.6-166.5163.8-170.2162.10112.9N140 R146 L148N140-K144 WeakPolarHBondContact O-CB 3.29Å; N140-K144 PolarHBondContact O-N 3.49Å; N140-K144 VanDerWaalsContact O-N 3.1Å; K144-R146 VanDerWaalsContact C-N 3.33Å; K144-L148 VanDerWaalsContact O-CG 3.3Å; K144-L148 WeakPolarHBondContact O-CG 3.35Å; K144-L148 PolarHBondContact O-N 3.08Å; K144-L148 VanDerWaalsContact O-N 3.13Å
145S91.2Very high84.5Confident4 Ų458.6 Ų58.63%0.02832%0.323CS..Hα-helixtrans-65.5-36.3174.149.10000113.4V141 R142 T143 L148 L149 Y188V141-S145 WeakPolarHBondContact O-CB 3.4Å; V141-S145 PolarHBondContact O-N 2.77Å; V141-S145 PolarHBondContact O-OG 3.35Å; V141-S145 VanDerWaalsContact O-OG 3.1Å; R142-S145 VanDerWaalsContact C-OG 3.23Å; R142-S145 WeakPolarHBondContact CA-OG 3.31Å; R142-S145 PolarHBondContact O-N 2.62Å; R142-S145 PolarHBondContact O-OG 3.42Å; T143-S145 VanDerWaalsContact C-N 3.29Å; T143-S145 PolarHBondContact O-N 3.07Å; S145-L148 PolarHBondContact O-N 3.19Å; S145-L149 WeakPolarHBondContact O-CG 3.44Å; S145-L149 PolarHBondContact O-N 3.09Å; S145-Y188 PolarHBondContact OG-OH 2.87Å
146R92.6Very high85.3Confident30 Ų3059 Ų5911%0.11333%0.334CS..Hα-helixtrans-68.1-44.9176.1-68.8163.7174.7-150.5-15111.2P135 T137 R142 T143 K144 L148 L149 V150 E174 E175P135-R146 PolarHBondContact O-NH1 3.19Å; P135-R146 PolarHBondContact O-NH2 3.38Å; T137-R146 PolarHBondContact OG1-NH1 3.31Å; R142-R146 WeakPolarHBondContact O-CG 3.45Å; R142-R146 PolarHBondContact O-N 3.15Å; T143-R146 WeakPolarHBondContact O-CB 3.33Å; T143-R146 PolarHBondContact O-N 2.92Å; T143-R146 VanDerWaalsContact O-N 3.1Å; K144-R146 VanDerWaalsContact C-N 3.33Å; R146-L148 VanDerWaalsContact C-N 3.27Å; R146-L148 PolarHBondContact O-N 3.26Å; R146-L149 WeakPolarHBondContact O-CB 3.42Å; R146-L149 PolarHBondContact O-N 3.3Å; R146-L149 VanDerWaalsContact O-N 3.07Å; R146-V150 WeakPolarHBondContact O-CG2 3.48Å; R146-V150 PolarHBondContact O-N 2.92Å; R146-E174 HydrophobicContact CG-CB 3.83Å; R146-E174 HydrophobicContact CG-CG 3.84Å; R146-E174 IonicContact CZ-OE2 2.77Å; R146-E174 VanDerWaalsContact CZ-OE2 3.27Å; R146-E174 IonicContact NE-OE2 2.99Å; R146-E174 PolarHBondContact NE-OE2 3.4Å; R146-E174 IonicContact NH2-OE2 3.93Å; R146-E174 PolarHBondContact NH2-OE2 3.04Å; R146-E175 IonicContact NH2-OE2 3.68Å
147E93.1Very high86.2Confident120 Ų12056.5 Ų56.556%0.56132%0.316SS*.Hα-helixtrans-54.9-44.1174-69.6172.1-179.400111.9T143 L149 V150 A151T143-E147 PolarHBondContact O-N 3.14Å; E147-L149 PolarHBondContact O-N 3.3Å; E147-V150 PolarHBondContact O-N 3.5Å; E147-A151 PolarHBondContact O-N 2.88Å
148L92.8Very high86.7Confident86 Ų8656.5 Ų56.545%0.4532%0.315SS..Hα-helixtrans-67.7-33.6177.9-68.6173.2000113.1K144 S145 R146 A152 I196K144-L148 VanDerWaalsContact O-CG 3.3Å; K144-L148 WeakPolarHBondContact O-CG 3.35Å; K144-L148 PolarHBondContact O-N 3.08Å; K144-L148 VanDerWaalsContact O-N 3.13Å; S145-L148 PolarHBondContact O-N 3.19Å; R146-L148 VanDerWaalsContact C-N 3.27Å; R146-L148 PolarHBondContact O-N 3.26Å; L148-A152 PolarHBondContact O-N 2.97Å; L148-A152 VanDerWaalsContact O-N 3.16Å; L148-I196 HydrophobicContact CB-CD1 3.72Å; L148-I196 HydrophobicContact CD1-CD1 4.45Å
149L92.6Very high87.1Confident0 Ų051.5 Ų51.50%028%0.282CS..Hα-helixtrans-68.6-42.2173-79.3169.3000111.4S145 R146 E147 A151 A152 L153 A170 I173 E174 L192 R195 I196 L199S145-L149 WeakPolarHBondContact O-CG 3.44Å; S145-L149 PolarHBondContact O-N 3.09Å; R146-L149 WeakPolarHBondContact O-CB 3.42Å; R146-L149 PolarHBondContact O-N 3.3Å; R146-L149 VanDerWaalsContact O-N 3.07Å; E147-L149 PolarHBondContact O-N 3.3Å; L149-A151 PolarHBondContact O-N 3.5Å; L149-A152 WeakPolarHBondContact O-CB 3.5Å; L149-A152 PolarHBondContact O-N 3.49Å; L149-A152 VanDerWaalsContact O-N 3.16Å; L149-L153 WeakPolarHBondContact O-CG 3.37Å; L149-L153 PolarHBondContact O-N 3.39Å; L149-A170 HydrophobicContact CB-CB 3.75Å; L149-I173 HydrophobicContact CD1-CG2 4.33Å; L149-E174 HydrophobicContact CD1-CB 3.97Å; L149-L192 HydrophobicContact CD1-CD1 3.67Å; L149-L192 HydrophobicContact CG-CD1 4.07Å; L149-R195 HydrophobicContact CD2-CB 4.29Å; L149-I196 HydrophobicContact CD2-CG1 3.8Å; L149-I196 HydrophobicContact CG-CG1 4.19Å; L149-L199 HydrophobicContact CD2-CD1 4.26Å
150V92.9Very high87Confident19 Ų1955.3 Ų55.312%0.11530%0.296CS..Hα-helixtrans-58.7-48.2174.9172.60000110.3R146 E147 A152 L153 Q154 C166 E167 A170R146-V150 WeakPolarHBondContact O-CG2 3.48Å; R146-V150 PolarHBondContact O-N 2.92Å; E147-V150 PolarHBondContact O-N 3.5Å; V150-A152 PolarHBondContact O-N 3.42Å; V150-L153 PolarHBondContact O-N 2.92Å; V150-L153 VanDerWaalsContact O-N 3.15Å; V150-Q154 HydrophobicContact CG1-CG 4.24Å; V150-Q154 WeakPolarHBondContact O-CB 3.45Å; V150-Q154 VanDerWaalsContact O-CG 3.32Å; V150-Q154 WeakPolarHBondContact O-CG 3.46Å; V150-Q154 PolarHBondContact O-N 2.68Å; V150-C166 HydrophobicContact CG1-CB 4.37Å; V150-E167 HydrophobicContact CG1-CG 4.43Å; V150-E167 HydrophobicContact CG2-CB 4.46Å; V150-E167 HydrophobicContact CG2-CG 4.16Å; V150-A170 HydrophobicContact CG2-CB 3.54Å
151A91.9Very high86.6Confident55 Ų5553 Ų5346%0.45530%0.297SS..Hα-helixtrans-59.5-35.3177.100000112.8E147 L149 T155E147-A151 PolarHBondContact O-N 2.88Å; L149-A151 PolarHBondContact O-N 3.5Å; A151-T155 PolarHBondContact O-N 2.96Å; A151-T155 PolarHBondContact O-OG1 3.25Å; A151-T155 VanDerWaalsContact O-OG1 3.08Å
152A91.6Very high86.1Confident1 Ų153.4 Ų53.41%0.00830%0.296CS..Hα-helixtrans-70.6-41.4175.700000112.4L148 L149 V150 Q154 T155 I196 L199 K200L148-A152 PolarHBondContact O-N 2.97Å; L148-A152 VanDerWaalsContact O-N 3.16Å; L149-A152 WeakPolarHBondContact O-CB 3.5Å; L149-A152 PolarHBondContact O-N 3.49Å; L149-A152 VanDerWaalsContact O-N 3.16Å; V150-A152 PolarHBondContact O-N 3.42Å; A152-Q154 VanDerWaalsContact C-N 3.31Å; A152-Q154 PolarHBondContact O-N 2.88Å; A152-T155 VanDerWaalsContact O-CB 3.28Å; A152-T155 WeakPolarHBondContact O-CB 3.3Å; A152-T155 PolarHBondContact O-N 3.22Å; A152-T155 PolarHBondContact O-OG1 3Å; A152-T155 VanDerWaalsContact O-OG1 3.13Å; A152-I196 HydrophobicContact CB-CG2 4.16Å; A152-L199 HydrophobicContact CB-CB 4.01Å; A152-K200 HydrophobicContact CB-CB 4.49Å
153L88.8Confident85.5Confident0 Ų055.4 Ų55.40%032%0.324CS..Hα-helixtrans-68-31.2177-70.9171.8000112.6L149 V150 T155 C166 L169 A170 L199 V211 L212L149-L153 WeakPolarHBondContact O-CG 3.37Å; L149-L153 PolarHBondContact O-N 3.39Å; V150-L153 PolarHBondContact O-N 2.92Å; V150-L153 VanDerWaalsContact O-N 3.15Å; L153-T155 PolarHBondContact O-N 2.93Å; L153-C166 HydrophobicContact CB-CB 4.4Å; L153-L169 HydrophobicContact CD1-CB 4.38Å; L153-L169 HydrophobicContact CD1-CD2 4.18Å; L153-L169 HydrophobicContact CD1-CG 4.25Å; L153-L169 HydrophobicContact CD2-CD2 4.48Å; L153-A170 HydrophobicContact CD1-CB 4.19Å; L153-L199 HydrophobicContact CD2-CD1 3.96Å; L153-L199 HydrophobicContact CD2-CD2 4.06Å; L153-L199 HydrophobicContact CG-CD1 4.35Å; L153-V211 HydrophobicContact CD2-CG1 4.16Å; L153-L212 HydrophobicContact CD2-CD2 4.45Å
154Q89Confident85.1Confident79 Ų7955.4 Ų55.437%0.36932%0.324SS..THydrogen-bonded Turntrans-79-5.4176.9-70.8176-1000113.8V150 A152 G156 D157 F159 C166V150-Q154 HydrophobicContact CG1-CG 4.24Å; V150-Q154 WeakPolarHBondContact O-CB 3.45Å; V150-Q154 VanDerWaalsContact O-CG 3.32Å; V150-Q154 WeakPolarHBondContact O-CG 3.46Å; V150-Q154 PolarHBondContact O-N 2.68Å; A152-Q154 VanDerWaalsContact C-N 3.31Å; A152-Q154 PolarHBondContact O-N 2.88Å; Q154-G156 PolarHBondContact O-N 3.41Å; Q154-D157 PolarHBondContact O-N 2.82Å; Q154-F159 HydrophobicContact CB-CD1 4.09Å; Q154-F159 HydrophobicContact CB-CE1 3.67Å; Q154-F159 HydrophobicContact CB-CZ 4.17Å; Q154-F159 HydrophobicContact CG-CD1 4.07Å; Q154-F159 HydrophobicContact CG-CE1 3.76Å; Q154-F159 HydrophobicContact CG-CE2 4.24Å; Q154-F159 HydrophobicContact CG-CG 4.42Å; Q154-F159 HydrophobicContact CG-CZ 3.85Å; Q154-F159 WeakPolarHBondContact O-CE1 3.32Å; Q154-C166 HydrophobicContact CG-CB 4.37Å
155T83.3Confident84.8Confident33 Ų3354 Ų5420%0.20232%0.323CS..THydrogen-bonded Turntrans-62.6129.4177.2-59.40000109A151 A152 L153 D157 K200 R208A151-T155 PolarHBondContact O-N 2.96Å; A151-T155 PolarHBondContact O-OG1 3.25Å; A151-T155 VanDerWaalsContact O-OG1 3.08Å; A152-T155 VanDerWaalsContact O-CB 3.28Å; A152-T155 WeakPolarHBondContact O-CB 3.3Å; A152-T155 PolarHBondContact O-N 3.22Å; A152-T155 PolarHBondContact O-OG1 3Å; A152-T155 VanDerWaalsContact O-OG1 3.13Å; L153-T155 PolarHBondContact O-N 2.93Å; T155-D157 PolarHBondContact O-N 3.41Å; T155-K200 HydrophobicContact CG2-CG 4.27Å; T155-R208 WeakPolarHBondContact O-CD 3.46Å; T155-R208 PolarHBondContact O-NE 2.91Å; T155-R208 PolarHBondContact O-NH1 3.19Å; T155-R208 VanDerWaalsContact O-NH1 3.17Å; T155-R208 PolarHBondContact O-NH2 2.84Å
156G75.4Confident84.6Confident49 Ų4954.1 Ų54.151%0.50532%0.324SS..THydrogen-bonded Turntrans79.49.5175.400000116.7Q154 D158Q154-G156 PolarHBondContact O-N 3.41Å; G156-D158 PolarHBondContact O-N 3Å
157D79.2Confident84.5Confident85 Ų8559.7 Ų59.746%0.45535%0.351SS..SBendtrans58.17.2172.9-76.7-27.8000116.6Q154 T155 F159 K160Q154-D157 PolarHBondContact O-N 2.82Å; T155-D157 PolarHBondContact O-N 3.41Å; D157-F159 PolarHBondContact O-N 2.62Å; D157-F159 VanDerWaalsContact O-N 3.13Å; D157-K160 HydrophobicContact CB-CD 4.13Å; D157-K160 WeakPolarHBondContact O-CB 3.4Å; D157-K160 PolarHBondContact O-N 3.04Å; D157-K160 VanDerWaalsContact OD1-CE 3.23Å; D157-K160 WeakPolarHBondContact OD1-CE 3.44Å; D157-K160 IonicContact OD1-NZ 3.05Å; D157-K160 PolarHBondContact OD1-NZ 3.37Å; D157-K160 IonicContact OD2-NZ 3.24Å; D157-K160 PolarHBondContact OD2-NZ 3.13Å; D157-K160 VanDerWaalsContact OD2-NZ 3.09Å
158D77.4Confident84.3Confident18 Ų1856 Ų5610%0.09633%0.333CS..Hα-helixtrans-58.7-29.4179.3-63-64.7000112.1G156 K160 A161 I162 R208 R209 L212G156-D158 PolarHBondContact O-N 3Å; D158-K160 VanDerWaalsContact C-N 3.25Å; D158-K160 PolarHBondContact O-N 2.95Å; D158-A161 PolarHBondContact O-N 3.18Å; D158-I162 WeakPolarHBondContact O-CG1 3.49Å; D158-I162 PolarHBondContact O-N 2.92Å; D158-R208 IonicContact OD2-CZ 3.27Å; D158-R208 VanDerWaalsContact OD2-CZ 3.24Å; D158-R208 IonicContact OD2-NE 2.82Å; D158-R208 PolarHBondContact OD2-NE 3.16Å; D158-R208 IonicContact OD2-NH2 2.89Å; D158-R208 PolarHBondContact OD2-NH2 3.1Å; D158-R209 HydrophobicContact CB-CG 4.29Å; D158-R209 IonicContact OD1-CZ 3.81Å; D158-R209 IonicContact OD1-NE 3.09Å; D158-R209 PolarHBondContact OD1-NE 2.93Å; D158-R209 IonicContact OD1-NH2 2.76Å; D158-R209 PolarHBondContact OD1-NH2 2.88Å; D158-L212 HydrophobicContact CB-CD1 3.92Å
159F76.5Confident84.1Confident38 Ų3852.7 Ų52.717%0.16732%0.316CS..Hα-helixtrans-63.8-28.3177.372.3-82.2000113.4Q154 D157 A161 G163 C166 L212Q154-F159 HydrophobicContact CB-CD1 4.09Å; Q154-F159 HydrophobicContact CB-CE1 3.67Å; Q154-F159 HydrophobicContact CB-CZ 4.17Å; Q154-F159 HydrophobicContact CG-CD1 4.07Å; Q154-F159 HydrophobicContact CG-CE1 3.76Å; Q154-F159 HydrophobicContact CG-CE2 4.24Å; Q154-F159 HydrophobicContact CG-CG 4.42Å; Q154-F159 HydrophobicContact CG-CZ 3.85Å; Q154-F159 WeakPolarHBondContact O-CE1 3.32Å; D157-F159 PolarHBondContact O-N 2.62Å; D157-F159 VanDerWaalsContact O-N 3.13Å; F159-A161 VanDerWaalsContact C-N 3.34Å; F159-G163 PolarHBondContact O-N 3.25Å; F159-C166 WeakPolarHBondContact CB-SG 3.23Å; F159-L212 HydrophobicContact CB-CD1 4.14Å; F159-L212 HydrophobicContact CB-CD2 4.05Å
160K78.6Confident84.1Confident133 Ų13352.7 Ų52.758%0.57832%0.316SS*.Hα-helixtrans-70.5-33.4176.7-64.7174.6180158.20111.5D157 D158D157-K160 HydrophobicContact CB-CD 4.13Å; D157-K160 WeakPolarHBondContact O-CB 3.4Å; D157-K160 PolarHBondContact O-N 3.04Å; D157-K160 VanDerWaalsContact OD1-CE 3.23Å; D157-K160 WeakPolarHBondContact OD1-CE 3.44Å; D157-K160 IonicContact OD1-NZ 3.05Å; D157-K160 PolarHBondContact OD1-NZ 3.37Å; D157-K160 IonicContact OD2-NZ 3.24Å; D157-K160 PolarHBondContact OD2-NZ 3.13Å; D157-K160 VanDerWaalsContact OD2-NZ 3.09Å; D158-K160 VanDerWaalsContact C-N 3.25Å; D158-K160 PolarHBondContact O-N 2.95Å
161A74.4Confident84Confident93 Ų9352 Ų5277%0.76931%0.312SS*.Hα-helixtrans-74.9-32.4178.300000112.3D158 F159D158-A161 PolarHBondContact O-N 3.18Å; F159-A161 VanDerWaalsContact C-N 3.34Å
162I76.3Confident84Confident65 Ų6552.5 Ų52.533%0.33331%0.305SS..Hα-helixtrans-90.5-24.9-177.2-58168.3000111.3D158 V164 L212D158-I162 WeakPolarHBondContact O-CG1 3.49Å; D158-I162 PolarHBondContact O-N 2.92Å; I162-V164 HydrophobicContact CG2-CG2 3.75Å; I162-L212 HydrophobicContact CD1-CB 3.51Å; I162-L212 HydrophobicContact CD1-CD1 4.13Å; I162-L212 HydrophobicContact CD1-CG 4.48Å
163G76.7Confident84Confident66 Ų6652.4 Ų52.468%0.6831%0.305SS*.THydrogen-bonded Turntrans74.130.2175.200000114.3F159F159-G163 PolarHBondContact O-N 3.25Å
164V81.1Confident84.2Confident53 Ų5352.4 Ų52.432%0.32131%0.305SS..  trans-101.9138.7-176.3169.30000111.8I162 C166I162-V164 HydrophobicContact CG2-CG2 3.75Å; V164-C166 PolarHBondContact O-N 3.49Å
165D86.2Confident84.3Confident108 Ų10850.5 Ų50.558%0.57830%0.296SS*.  trans-67.696175.5-70.6-30.6000111.3E167 H168 L169D165-E167 PolarHBondContact O-N 3.49Å; D165-H168 HydrophobicContact CB-CB 3.95Å; D165-H168 PolarHBondContact O-N 3.05Å; D165-L169 PolarHBondContact O-N 3.23Å; D165-L169 VanDerWaalsContact O-N 3.07Å
166C87.1Confident84.7Confident6 Ų653.4 Ų53.44%0.04130%0.303CS..Hα-helixtrans-59.1-34.5179.4-67.70000112.6V150 L153 Q154 F159 V164 A170V150-C166 HydrophobicContact CG1-CB 4.37Å; L153-C166 HydrophobicContact CB-CB 4.4Å; Q154-C166 HydrophobicContact CG-CB 4.37Å; F159-C166 WeakPolarHBondContact CB-SG 3.23Å; V164-C166 PolarHBondContact O-N 3.49Å; C166-A170 WeakPolarHBondContact O-CB 3.41Å; C166-A170 PolarHBondContact O-N 3.5Å
167E88.8Confident85.4Confident146 Ų14651.1 Ų51.168%0.68228%0.279SS*.Hα-helixtrans-64.3-44.5178.2-65-175.6-179.300111.7V150 D165 A171V150-E167 HydrophobicContact CG1-CG 4.43Å; V150-E167 HydrophobicContact CG2-CB 4.46Å; V150-E167 HydrophobicContact CG2-CG 4.16Å; D165-E167 PolarHBondContact O-N 3.49Å; E167-A171 WeakPolarHBondContact O-CB 3.45Å; E167-A171 PolarHBondContact O-N 2.98Å
168H89.6Confident85.9Confident42 Ų4249.2 Ų49.219%0.19427%0.267CS..Hα-helixtrans-68.3-43.7179.3-172.262.8000111.1P132 A134 D165 A171 Q172P132-H168 PolarHBondContact O-CE1 3.16Å; A134-H168 WeakPolarHBondContact CA-ND1 3.34Å; D165-H168 HydrophobicContact CB-CB 3.95Å; D165-H168 PolarHBondContact O-N 3.05Å; H168-A171 PolarHBondContact O-N 2.93Å; H168-Q172 PolarHBondContact CD2-NE2 3.31Å; H168-Q172 PolarHBondContact NE2-NE2 2.89Å; H168-Q172 WeakPolarHBondContact O-CG 3.29Å; H168-Q172 PolarHBondContact O-N 3.35Å
169L89.9Confident86.5Confident17 Ų1752.6 Ų52.69%0.08928%0.282CS..Hα-helixtrans-62.9-44177-175.459.2000112L153 D165 A171 Q172 I173 V211 L212 P218L153-L169 HydrophobicContact CD1-CB 4.38Å; L153-L169 HydrophobicContact CD1-CD2 4.18Å; L153-L169 HydrophobicContact CD1-CG 4.25Å; L153-L169 HydrophobicContact CD2-CD2 4.48Å; D165-L169 PolarHBondContact O-N 3.23Å; D165-L169 VanDerWaalsContact O-N 3.07Å; L169-A171 VanDerWaalsContact C-N 3.33Å; L169-A171 PolarHBondContact O-N 3.39Å; L169-Q172 PolarHBondContact O-N 2.99Å; L169-I173 HydrophobicContact CD1-CD1 4.4Å; L169-I173 HydrophobicContact CG-CD1 4.13Å; L169-I173 WeakPolarHBondContact O-CG1 3.28Å; L169-I173 PolarHBondContact O-N 3.31Å; L169-V211 HydrophobicContact CD2-CG1 4.04Å; L169-L212 HydrophobicContact CD2-CD2 4.31Å; L169-P218 HydrophobicContact CD1-CG 3.81Å
170A91.6Very high87Confident0 Ų055.4 Ų55.40%030%0.296CS..Hα-helixtrans-61.6-40.8175.500000112.1L149 V150 L153 C166 I173 E174L149-A170 HydrophobicContact CB-CB 3.75Å; V150-A170 HydrophobicContact CG2-CB 3.54Å; L153-A170 HydrophobicContact CD1-CB 4.19Å; C166-A170 WeakPolarHBondContact O-CB 3.41Å; C166-A170 PolarHBondContact O-N 3.5Å; A170-I173 PolarHBondContact O-N 3.48Å; A170-E174 WeakPolarHBondContact O-CB 3.43Å; A170-E174 PolarHBondContact O-N 3.44Å
171A91.4Very high87.4Confident4 Ų451.5 Ų51.53%0.03328%0.279CS..Hα-helixtrans-62.9-41.5175.900000111.9A134 P135 E167 H168 L169 E175A134-A171 HydrophobicContact CB-CB 4.36Å; P135-A171 HydrophobicContact CG-CB 4.33Å; E167-A171 WeakPolarHBondContact O-CB 3.45Å; E167-A171 PolarHBondContact O-N 2.98Å; H168-A171 PolarHBondContact O-N 2.93Å; L169-A171 VanDerWaalsContact C-N 3.33Å; L169-A171 PolarHBondContact O-N 3.39Å; A171-E175 VanDerWaalsContact O-CB 3.24Å; A171-E175 WeakPolarHBondContact O-CB 3.13Å; A171-E175 PolarHBondContact O-N 2.75Å
172Q91.1Very high87.9Confident66 Ų6655.2 Ų55.231%0.30828%0.278SS..Hα-helixtrans-64.3-45.4175.7-71.4-174.452.100112.4H168 L169 E174 E175 R176 P218H168-Q172 PolarHBondContact CD2-NE2 3.31Å; H168-Q172 PolarHBondContact NE2-NE2 2.89Å; H168-Q172 WeakPolarHBondContact O-CG 3.29Å; H168-Q172 PolarHBondContact O-N 3.35Å; L169-Q172 PolarHBondContact O-N 2.99Å; Q172-E174 PolarHBondContact O-N 2.97Å; Q172-E175 PolarHBondContact O-N 3.34Å; Q172-R176 WeakPolarHBondContact O-CG 3.3Å; Q172-R176 PolarHBondContact O-N 3.02Å; Q172-P218 HydrophobicContact CB-CB 4.08Å; Q172-P218 HydrophobicContact CB-CG 4.27Å
173I91.4Very high88.3Confident0 Ų053.8 Ų53.80%027%0.274CS..Hα-helixtrans-61.7-46.2178.8-66.8168.7000110.4L149 L169 A170 R176 I177 V211 P218 I221L149-I173 HydrophobicContact CD1-CG2 4.33Å; L169-I173 HydrophobicContact CD1-CD1 4.4Å; L169-I173 HydrophobicContact CG-CD1 4.13Å; L169-I173 WeakPolarHBondContact O-CG1 3.28Å; L169-I173 PolarHBondContact O-N 3.31Å; A170-I173 PolarHBondContact O-N 3.48Å; I173-R176 PolarHBondContact O-N 3.14Å; I173-I177 HydrophobicContact CG2-CD1 4.01Å; I173-I177 WeakPolarHBondContact O-CG1 3.47Å; I173-I177 PolarHBondContact O-N 3.21Å; I173-I177 VanDerWaalsContact O-N 3.11Å; I173-V211 HydrophobicContact CD1-CG1 4.37Å; I173-P218 HydrophobicContact CG1-CB 4.04Å; I173-I221 HydrophobicContact CD1-CD1 4.5Å; I173-I221 HydrophobicContact CD1-CG2 3.87Å; I173-I221 HydrophobicContact CG1-CG2 3.7Å; I173-I221 HydrophobicContact CG2-CG2 4.1Å
174E93.3Very high88.7Confident0 Ų052.6 Ų52.60%025%0.253CS..Hα-helixtrans-62.5-44178.8-174.2-85.716200112R142 R146 L149 A170 Q172 R176 I177 F178 Y188R142-E174 WeakPolarHBondContact CB-OE1 3.29Å; R142-E174 WeakPolarHBondContact CG-OE1 3.3Å; R142-E174 IonicContact CZ-OE1 2.71Å; R142-E174 IonicContact CZ-OE2 2.93Å; R142-E174 IonicContact NE-OE1 3.41Å; R142-E174 PolarHBondContact NE-OE1 3.47Å; R142-E174 IonicContact NE-OE2 2.96Å; R142-E174 IonicContact NH2-OE1 2.63Å; R142-E174 PolarHBondContact NH2-OE1 3.08Å; R142-E174 IonicContact NH2-OE2 2.91Å; R142-E174 PolarHBondContact NH2-OE2 2.97Å; R146-E174 HydrophobicContact CG-CB 3.83Å; R146-E174 HydrophobicContact CG-CG 3.84Å; R146-E174 IonicContact CZ-OE2 2.77Å; R146-E174 VanDerWaalsContact CZ-OE2 3.27Å; R146-E174 IonicContact NE-OE2 2.99Å; R146-E174 PolarHBondContact NE-OE2 3.4Å; R146-E174 IonicContact NH2-OE2 3.93Å; R146-E174 PolarHBondContact NH2-OE2 3.04Å; L149-E174 HydrophobicContact CD1-CB 3.97Å; A170-E174 WeakPolarHBondContact O-CB 3.43Å; A170-E174 PolarHBondContact O-N 3.44Å; Q172-E174 PolarHBondContact O-N 2.97Å; E174-R176 VanDerWaalsContact C-N 3.32Å; E174-R176 PolarHBondContact O-N 3.48Å; E174-I177 PolarHBondContact O-N 3.1Å; E174-F178 WeakPolarHBondContact O-CB 3.45Å; E174-F178 PolarHBondContact O-N 2.91Å; E174-Y188 VanDerWaalsContact CG-OH 3.25Å; E174-Y188 WeakPolarHBondContact CG-OH 3.33Å; E174-Y188 PolarHBondContact OE1-OH 3.31Å
175E90.9Very high89Confident39 Ų3954.5 Ų54.518%0.18226%0.261CS..Hα-helixtrans-61.8-40.6178.6-176.459.5-140.800111.3P135 R142 R146 A171 Q172 F178 Q179P135-E175 HydrophobicContact CB-CG 4.26Å; P135-E175 HydrophobicContact CG-CB 3.93Å; P135-E175 HydrophobicContact CG-CG 4.05Å; R142-E175 IonicContact CZ-OE2 3.72Å; R142-E175 IonicContact NH1-OE2 2.69Å; R142-E175 IonicContact NH2-OE2 3.39Å; R142-E175 PolarHBondContact NH2-OE2 2.83Å; R146-E175 IonicContact NH2-OE2 3.68Å; A171-E175 VanDerWaalsContact O-CB 3.24Å; A171-E175 WeakPolarHBondContact O-CB 3.13Å; A171-E175 PolarHBondContact O-N 2.75Å; Q172-E175 PolarHBondContact O-N 3.34Å; E175-F178 PolarHBondContact O-N 2.92Å; E175-Q179 VanDerWaalsContact O-CG 3.3Å; E175-Q179 WeakPolarHBondContact O-CG 3.37Å; E175-Q179 PolarHBondContact O-N 2.83Å; E175-Q179 PolarHBondContact OE1-NE2 3.38Å
176R91.2Very high89Confident94 Ų9455.7 Ų55.736%0.35527%0.265SS..Hα-helixtrans-65.5-39.2176.1-68.1-58.4-178.8141.34.5112.9Q172 I173 E174 F178 Q179 E180 E219 A222Q172-R176 WeakPolarHBondContact O-CG 3.3Å; Q172-R176 PolarHBondContact O-N 3.02Å; I173-R176 PolarHBondContact O-N 3.14Å; E174-R176 VanDerWaalsContact C-N 3.32Å; E174-R176 PolarHBondContact O-N 3.48Å; R176-F178 VanDerWaalsContact C-N 3.33Å; R176-Q179 PolarHBondContact O-N 3.47Å; R176-E180 PolarHBondContact O-N 3.43Å; R176-E219 HydrophobicContact CG-CG 4.24Å; R176-E219 VanDerWaalsContact CZ-CD 3.45Å; R176-E219 IonicContact CZ-OE1 3.92Å; R176-E219 IonicContact NE-OE1 2.88Å; R176-E219 IonicContact NH1-OE1 3.21Å; R176-E219 PolarHBondContact NH1-OE1 2.92Å; R176-E219 IonicContact NH1-OE2 3.72Å; R176-E219 IonicContact NH2-OE1 3.9Å; R176-E219 PolarHBondContact NH2-OE1 2.86Å; R176-A222 HydrophobicContact CB-CB 3.53Å
177I90.3Very high89.1Confident0 Ų062.9 Ų62.90%030%0.296CS..Hα-helixtrans-65.6-41.3173.7-62.5167.6000109.7I173 E174 E180 F181 Y188 R191 L192 R195 A222I173-I177 HydrophobicContact CG2-CD1 4.01Å; I173-I177 WeakPolarHBondContact O-CG1 3.47Å; I173-I177 PolarHBondContact O-N 3.21Å; I173-I177 VanDerWaalsContact O-N 3.11Å; E174-I177 PolarHBondContact O-N 3.1Å; I177-E180 PolarHBondContact O-N 3.5Å; I177-F181 HydrophobicContact CG2-CD2 4.03Å; I177-F181 HydrophobicContact CG2-CE2 4.16Å; I177-F181 VanDerWaalsContact O-CD2 3.3Å; I177-F181 WeakPolarHBondContact O-CD2 3.39Å; I177-F181 PolarHBondContact O-N 3.38Å; I177-Y188 HydrophobicContact CB-CE2 4.34Å; I177-Y188 HydrophobicContact CG2-CD2 3.68Å; I177-Y188 HydrophobicContact CG2-CE2 3.81Å; I177-R191 HydrophobicContact CG2-CB 4.27Å; I177-R191 HydrophobicContact CG2-CG 4.07Å; I177-L192 HydrophobicContact CD1-CD1 4.41Å; I177-R195 HydrophobicContact CD1-CG 4.03Å; I177-A222 HydrophobicContact CG1-CB 3.74Å
178F90.4Very high89.2Confident45 Ų4556 Ų5620%0.19726%0.263CS..Hα-helixtrans-66.1-36.9177.8-172.2-99000112.3R142 E174 E175 R176 E180 F181 K182 Y188R142-F178 VanDerWaalsContact CZ-CG 3.48Å; E174-F178 WeakPolarHBondContact O-CB 3.45Å; E174-F178 PolarHBondContact O-N 2.91Å; E175-F178 PolarHBondContact O-N 2.92Å; R176-F178 VanDerWaalsContact C-N 3.33Å; F178-E180 VanDerWaalsContact C-N 3.29Å; F178-E180 PolarHBondContact O-N 3.44Å; F178-F181 PolarHBondContact O-N 3.49Å; F178-K182 VanDerWaalsContact O-CA 3.23Å; F178-K182 WeakPolarHBondContact O-CA 3.25Å; F178-K182 PolarHBondContact O-N 2.71Å; F178-Y188 HydrophobicContact CB-CE2 4.27Å; F178-Y188 HydrophobicContact CD2-CE2 4.4Å
179Q89.9Confident89.3Confident90 Ų9057.4 Ų57.442%0.42127%0.269SS..Hα-helixtrans-62.9-33.7175.9-76.3171.914.600113.2E175 R176 K182E175-Q179 VanDerWaalsContact O-CG 3.3Å; E175-Q179 WeakPolarHBondContact O-CG 3.37Å; E175-Q179 PolarHBondContact O-N 2.83Å; E175-Q179 PolarHBondContact OE1-NE2 3.38Å; R176-Q179 PolarHBondContact O-N 3.47Å; Q179-K182 WeakPolarHBondContact O-CG 3.25Å
180E87.9Confident89.3Confident96 Ų9659.9 Ų59.945%0.44929%0.285SS..Hα-helixtrans-68.5-45.5176.5-172.7-176.3157.300111.5R176 I177 F178 R191R176-E180 PolarHBondContact O-N 3.43Å; I177-E180 PolarHBondContact O-N 3.5Å; F178-E180 VanDerWaalsContact C-N 3.29Å; F178-E180 PolarHBondContact O-N 3.44Å; E180-R191 IonicContact OE1-NH2 3.47Å; E180-R191 PolarHBondContact OE1-NH2 2.95Å; E180-R191 IonicContact OE2-NH2 3.9Å
181F85.4Confident89.2Confident52 Ų5262.5 Ų62.523%0.22830%0.295CS..Hα-helixtrans-94.7-28.1-173.6-67.3-73.1000114.3I177 F178 S183 K187 R191I177-F181 HydrophobicContact CG2-CD2 4.03Å; I177-F181 HydrophobicContact CG2-CE2 4.16Å; I177-F181 VanDerWaalsContact O-CD2 3.3Å; I177-F181 WeakPolarHBondContact O-CD2 3.39Å; I177-F181 PolarHBondContact O-N 3.38Å; F178-F181 PolarHBondContact O-N 3.49Å; F181-S183 PolarHBondContact O-N 2.83Å; F181-S183 PolarHBondContact O-OG 3.27Å; F181-K187 HydrophobicContact CD1-CB 4.08Å; F181-K187 HydrophobicContact CE1-CB 3.82Å; F181-K187 HydrophobicContact CZ-CB 4.49Å; F181-R191 HydrophobicContact CE2-CB 4.12Å; F181-R191 HydrophobicContact CE2-CG 4.22Å
182K85Confident89.2Confident171 Ų17162.8 Ų62.874%0.74330%0.296SS*.  trans5311.4-175.3-58.5177.7-178.9174.30115.1F178 Q179F178-K182 VanDerWaalsContact O-CA 3.23Å; F178-K182 WeakPolarHBondContact O-CA 3.25Å; F178-K182 PolarHBondContact O-N 2.71Å; Q179-K182 WeakPolarHBondContact O-CG 3.25Å
183S86.1Confident89.2Confident35 Ų3566.5 Ų66.525%0.24531%0.307CS..SBendtrans-145151-177.567.30000111.5F181 D185 Y188F181-S183 PolarHBondContact O-N 2.83Å; F181-S183 PolarHBondContact O-OG 3.27Å; S183-D185 WeakPolarHBondContact CB-OD2 3.45Å; S183-D185 PolarHBondContact O-N 2.89Å; S183-D185 PolarHBondContact OG-OD2 3.47Å; S183-Y188 WeakPolarHBondContact O-CB 3.46Å
184T84.4Confident89.1Confident40 Ų4067.8 Ų67.825%0.24532%0.316CS..  trans-84.746.2176.6-47.40000111.3D139 V141 Y188D139-T184 PolarHBondContact OD2-OG1 2.9Å; V141-T184 HydrophobicContact CB-CG2 3.72Å; V141-T184 HydrophobicContact CG1-CG2 3.47Å; V141-T184 VanDerWaalsContact CG1-CG2 3.47Å; V141-T184 HydrophobicContact CG2-CG2 4.18Å; T184-Y188 HydrophobicContact CG2-CD1 4.39Å
185D86.9Confident89Confident93 Ų9367.9 Ų67.950%0.49732%0.316SS..  trans-81.1172.1-174.4-75.9-24.9000113.8S183 K187 Y188 K189S183-D185 WeakPolarHBondContact CB-OD2 3.45Å; S183-D185 PolarHBondContact O-N 2.89Å; S183-D185 PolarHBondContact OG-OD2 3.47Å; D185-K187 PolarHBondContact O-N 2.83Å; D185-Y188 WeakPolarHBondContact O-CB 3.27Å; D185-Y188 PolarHBondContact O-N 3.32Å; D185-K189 PolarHBondContact O-N 3.15Å
186M87.4Confident89Confident133 Ų13367 Ų6766%0.65531%0.313SS*.Hα-helixtrans-61.7-28.8174.6-72.5-57.9171.200113.2K189 T190M186-K189 PolarHBondContact O-N 3.26Å; M186-K189 HydrophobicContact SD-CD 4.09Å; M186-T190 VanDerWaalsContact O-CB 3.3Å; M186-T190 WeakPolarHBondContact O-CB 3.26Å; M186-T190 PolarHBondContact O-N 3.45Å; M186-T190 PolarHBondContact O-OG1 3.12Å
187K88.8Confident88.9Confident157 Ų15766.3 Ų66.368%0.68332%0.322SS*.Hα-helixtrans-64.4-47.1173.9-66-179.1-179176.60110.9F181 D185 K189 T190 R191F181-K187 HydrophobicContact CD1-CB 4.08Å; F181-K187 HydrophobicContact CE1-CB 3.82Å; F181-K187 HydrophobicContact CZ-CB 4.49Å; D185-K187 PolarHBondContact O-N 2.83Å; K187-K189 PolarHBondContact O-N 3.15Å; K187-T190 PolarHBondContact O-N 2.92Å; K187-R191 PolarHBondContact O-N 2.12Å
188Y90.8Very high88.9Confident1 Ų167.4 Ų67.40%0.00433%0.328CS..Hα-helixtrans-55.5-52.2172.8168.6-93.4000111.5S145 E174 I177 F178 S183 T184 D185 T190 R191 L192S145-Y188 PolarHBondContact OG-OH 2.87Å; E174-Y188 VanDerWaalsContact CG-OH 3.25Å; E174-Y188 WeakPolarHBondContact CG-OH 3.33Å; E174-Y188 PolarHBondContact OE1-OH 3.31Å; I177-Y188 HydrophobicContact CB-CE2 4.34Å; I177-Y188 HydrophobicContact CG2-CD2 3.68Å; I177-Y188 HydrophobicContact CG2-CE2 3.81Å; F178-Y188 HydrophobicContact CB-CE2 4.27Å; F178-Y188 HydrophobicContact CD2-CE2 4.4Å; S183-Y188 WeakPolarHBondContact O-CB 3.46Å; T184-Y188 HydrophobicContact CG2-CD1 4.39Å; D185-Y188 WeakPolarHBondContact O-CB 3.27Å; D185-Y188 PolarHBondContact O-N 3.32Å; Y188-T190 VanDerWaalsContact C-N 3.3Å; Y188-T190 PolarHBondContact O-N 3.08Å; Y188-R191 PolarHBondContact O-N 2.98Å; Y188-L192 WeakPolarHBondContact O-CB 3.45Å; Y188-L192 PolarHBondContact O-N 3.5Å
189K90.4Very high88.8Confident73 Ų7365.4 Ų65.432%0.31732%0.319SS..Hα-helixtrans-62.3-35.9179.4-66.9176.9-176170.20112.9D185 M186 K187 R193D185-K189 PolarHBondContact O-N 3.15Å; M186-K189 PolarHBondContact O-N 3.26Å; M186-K189 HydrophobicContact SD-CD 4.09Å; K187-K189 PolarHBondContact O-N 3.15Å; K189-R193 WeakPolarHBondContact O-CB 3.43Å; K189-R193 WeakPolarHBondContact O-CG 3.39Å; K189-R193 PolarHBondContact O-N 3.35Å; K189-R193 PolarHBondContact O-NE 2.93Å
190T90.9Very high88.7Confident69 Ų6966.9 Ų66.942%0.42332%0.324SS..Hα-helixtrans-69.4-44177.8-58.10000110.9M186 K187 Y188 L192 R193 S194M186-T190 VanDerWaalsContact O-CB 3.3Å; M186-T190 WeakPolarHBondContact O-CB 3.26Å; M186-T190 PolarHBondContact O-N 3.45Å; M186-T190 PolarHBondContact O-OG1 3.12Å; K187-T190 PolarHBondContact O-N 2.92Å; Y188-T190 VanDerWaalsContact C-N 3.3Å; Y188-T190 PolarHBondContact O-N 3.08Å; T190-L192 PolarHBondContact O-N 3.33Å; T190-R193 PolarHBondContact O-N 2.83Å; T190-R193 PolarHBondContact OG1-NH2 3.01Å; T190-S194 PolarHBondContact O-N 3.46Å
191R89.7Confident88.7Confident54 Ų5464.9 Ų64.920%0.20432%0.317CS..Hα-helixtrans-59-49.2175-169.472.493146.87.5110.7I177 E180 F181 K187 Y188 R193 S194 R195 S223I177-R191 HydrophobicContact CG2-CB 4.27Å; I177-R191 HydrophobicContact CG2-CG 4.07Å; E180-R191 IonicContact OE1-NH2 3.47Å; E180-R191 PolarHBondContact OE1-NH2 2.95Å; E180-R191 IonicContact OE2-NH2 3.9Å; F181-R191 HydrophobicContact CE2-CB 4.12Å; F181-R191 HydrophobicContact CE2-CG 4.22Å; K187-R191 PolarHBondContact O-N 2.12Å; Y188-R191 PolarHBondContact O-N 2.98Å; R191-R193 PolarHBondContact O-N 3.41Å; R191-S194 WeakPolarHBondContact O-CB 3.41Å; R191-S194 PolarHBondContact O-N 3.07Å; R191-S194 VanDerWaalsContact O-N 3.15Å; R191-S194 PolarHBondContact O-OG 3.2Å; R191-R195 PolarHBondContact O-N 2.88Å; R191-R195 VanDerWaalsContact O-N 3.08Å; R191-S223 PolarHBondContact NH1-O 2.83Å
192L91.6Very high88.6Confident11 Ų1168.9 Ų68.96%0.05834%0.336CS..Hα-helixtrans-59-48.6177.9-170.691.6000112.5L149 I177 Y188 T190 S194 R195 I196L149-L192 HydrophobicContact CD1-CD1 3.67Å; L149-L192 HydrophobicContact CG-CD1 4.07Å; I177-L192 HydrophobicContact CD1-CD1 4.41Å; Y188-L192 WeakPolarHBondContact O-CB 3.45Å; Y188-L192 PolarHBondContact O-N 3.5Å; T190-L192 PolarHBondContact O-N 3.33Å; L192-S194 PolarHBondContact O-N 2.76Å; L192-R195 PolarHBondContact O-N 2.8Å; L192-R195 VanDerWaalsContact O-N 3.07Å; L192-I196 HydrophobicContact CD2-CD1 3.82Å; L192-I196 HydrophobicContact CG-CD1 3.81Å; L192-I196 WeakPolarHBondContact O-CG1 3.25Å; L192-I196 PolarHBondContact O-N 3.22Å
193R90.6Very high88.3Confident144 Ų14469.5 Ų69.554%0.54334%0.339SS..Hα-helixtrans-57.4-39.6176-79.6-175.9-75.6112-3.9111.9K189 T190 R191 I196 S197K189-R193 WeakPolarHBondContact O-CB 3.43Å; K189-R193 WeakPolarHBondContact O-CG 3.39Å; K189-R193 PolarHBondContact O-N 3.35Å; K189-R193 PolarHBondContact O-NE 2.93Å; T190-R193 PolarHBondContact O-N 2.83Å; T190-R193 PolarHBondContact OG1-NH2 3.01Å; R191-R193 PolarHBondContact O-N 3.41Å; R193-I196 PolarHBondContact O-N 3.33Å; R193-S197 WeakPolarHBondContact O-CB 3.3Å; R193-S197 PolarHBondContact O-N 2.81Å
194S89.9Confident88.1Confident27 Ų2769.1 Ų69.119%0.18933%0.334CS..Hα-helixtrans-62.8-41.7176.181.30000111.8T190 R191 L192 S197 N198T190-S194 PolarHBondContact O-N 3.46Å; R191-S194 WeakPolarHBondContact O-CB 3.41Å; R191-S194 PolarHBondContact O-N 3.07Å; R191-S194 VanDerWaalsContact O-N 3.15Å; R191-S194 PolarHBondContact O-OG 3.2Å; L192-S194 PolarHBondContact O-N 2.76Å; S194-S197 PolarHBondContact O-N 3.38Å; S194-N198 PolarHBondContact O-N 2.85Å; S194-N198 VanDerWaalsContact O-N 3.09Å; S194-N198 PolarHBondContact O-ND2 3.14Å
195R90.5Very high88Confident1 Ų169.2 Ų69.20%0.00434%0.336CS..Hα-helixtrans-64.3-48.3176.8-60.1-44.8-179.9-133.410.3112L149 I177 R191 L192 S197 N198 L199 I221 A222 M224L149-R195 HydrophobicContact CD2-CB 4.29Å; I177-R195 HydrophobicContact CD1-CG 4.03Å; R191-R195 PolarHBondContact O-N 2.88Å; R191-R195 VanDerWaalsContact O-N 3.08Å; L192-R195 PolarHBondContact O-N 2.8Å; L192-R195 VanDerWaalsContact O-N 3.07Å; R195-S197 VanDerWaalsContact C-N 3.28Å; R195-S197 PolarHBondContact O-N 2.87Å; R195-N198 PolarHBondContact O-N 3.31Å; R195-L199 WeakPolarHBondContact O-CB 3.26Å; R195-L199 WeakPolarHBondContact O-CG 2.86Å; R195-L199 PolarHBondContact O-N 3.18Å; R195-I221 WeakPolarHBondContact CD-O 3.49Å; R195-I221 PolarHBondContact NE-O 3.16Å; R195-I221 PolarHBondContact NH2-O 3.47Å; R195-A222 VanDerWaalsContact NH2-C 3.3Å; R195-A222 PolarHBondContact NH2-O 3.24Å; R195-M224 PolarHBondContact NH1-O 3.21Å; R195-M224 PolarHBondContact NH2-O 2.93Å
196I91.3Very high87.9Confident22 Ų2269.4 Ų69.411%0.11333%0.333CS..Hα-helixtrans-57.2-44.6178.2-66.9162.1000110.3L148 L149 A152 L192 R193 K200L148-I196 HydrophobicContact CB-CD1 3.72Å; L148-I196 HydrophobicContact CD1-CD1 4.45Å; L149-I196 HydrophobicContact CD2-CG1 3.8Å; L149-I196 HydrophobicContact CG-CG1 4.19Å; A152-I196 HydrophobicContact CB-CG2 4.16Å; L192-I196 HydrophobicContact CD2-CD1 3.82Å; L192-I196 HydrophobicContact CG-CD1 3.81Å; L192-I196 WeakPolarHBondContact O-CG1 3.25Å; L192-I196 PolarHBondContact O-N 3.22Å; R193-I196 PolarHBondContact O-N 3.33Å; I196-K200 WeakPolarHBondContact O-CB 3.09Å; I196-K200 PolarHBondContact O-N 3.06Å
197S89.8Confident87.9Confident79 Ų7963.7 Ų63.755%0.55231%0.306SS*.Hα-helixtrans-66.9-36.2180-169.20000113.3R193 S194 R195 D201R193-S197 WeakPolarHBondContact O-CB 3.3Å; R193-S197 PolarHBondContact O-N 2.81Å; S194-S197 PolarHBondContact O-N 3.38Å; R195-S197 VanDerWaalsContact C-N 3.28Å; R195-S197 PolarHBondContact O-N 2.87Å; S197-D201 PolarHBondContact O-N 3.14Å
198N88.9Confident87.8Confident23 Ų2356.5 Ų56.512%0.12327%0.274CS..Hα-helixtrans-74-41.7178.5-80.4-85.7000111.6S194 R195 K200 D201 L207 M229S194-N198 PolarHBondContact O-N 2.85Å; S194-N198 VanDerWaalsContact O-N 3.09Å; S194-N198 PolarHBondContact O-ND2 3.14Å; R195-N198 PolarHBondContact O-N 3.31Å; N198-K200 VanDerWaalsContact C-N 3.25Å; N198-K200 PolarHBondContact O-N 3.47Å; N198-D201 WeakPolarHBondContact O-CB 3.34Å; N198-D201 PolarHBondContact O-N 3.21Å; N198-L207 HydrophobicContact CB-CD2 4.1Å; N198-M229 HydrophobicContact CB-CB 4.25Å; N198-M229 HydrophobicContact CB-CE 4.05Å; N198-M229 HydrophobicContact CB-SD 4.27Å
199L87.9Confident87.6Confident2 Ų261.5 Ų61.51%0.0129%0.293CS..Hα-helixtrans-66.6-28.4176.7-71.3172000113L149 A152 L153 R195 V211 I221L149-L199 HydrophobicContact CD2-CD1 4.26Å; A152-L199 HydrophobicContact CB-CB 4.01Å; L153-L199 HydrophobicContact CD2-CD1 3.96Å; L153-L199 HydrophobicContact CD2-CD2 4.06Å; L153-L199 HydrophobicContact CG-CD1 4.35Å; R195-L199 WeakPolarHBondContact O-CB 3.26Å; R195-L199 WeakPolarHBondContact O-CG 2.86Å; R195-L199 PolarHBondContact O-N 3.18Å; L199-V211 HydrophobicContact CD2-CB 4.42Å; L199-V211 HydrophobicContact CD2-CG1 4.41Å; L199-V211 HydrophobicContact CD2-CG2 4.2Å; L199-I221 HydrophobicContact CD1-CD1 4.24Å; L199-I221 HydrophobicContact CD2-CD1 3.86Å; L199-I221 HydrophobicContact CG-CD1 4.24Å
200K88.9Confident87.5Confident121 Ų12160.8 Ų60.853%0.52629%0.293SS..THydrogen-bonded Turntrans-89.31.4176.9-158.9169.767.9176.70113.2A152 T155 I196 N198 Q202A152-K200 HydrophobicContact CB-CB 4.49Å; T155-K200 HydrophobicContact CG2-CG 4.27Å; I196-K200 WeakPolarHBondContact O-CB 3.09Å; I196-K200 PolarHBondContact O-N 3.06Å; N198-K200 VanDerWaalsContact C-N 3.25Å; N198-K200 PolarHBondContact O-N 3.47Å; K200-Q202 PolarHBondContact O-N 3.46Å; K200-Q202 VanDerWaalsContact O-N 3.14Å
201D86.9Confident87.4Confident54 Ų5457.7 Ų57.729%0.28927%0.273SS..  trans-69.2114.2-179.5-168-3.6000110.4S197 N198 K203 N204S197-D201 PolarHBondContact O-N 3.14Å; N198-D201 WeakPolarHBondContact O-CB 3.34Å; N198-D201 PolarHBondContact O-N 3.21Å; D201-K203 PolarHBondContact O-N 3Å; D201-K203 WeakPolarHBondContact OD1-CB 3.49Å; D201-K203 PolarHBondContact OD1-N 3.2Å; D201-N204 PolarHBondContact O-N 3.25Å
202Q84Confident87.3Confident137 Ų13755.3 Ų55.364%0.6427%0.265SS*.THydrogen-bonded Turntrans-67.1-22.7178.5-167.661.928.100112.1K200 N204K200-Q202 PolarHBondContact O-N 3.46Å; K200-Q202 VanDerWaalsContact O-N 3.14Å; Q202-N204 VanDerWaalsContact C-N 3.29Å
203K79.3Confident87Confident184 Ų18458.1 Ų58.180%0.829%0.285SS*.THydrogen-bonded Turntrans-78.5-14.8-179.4-60.7-176.2179.1-174.40112.9D201D201-K203 PolarHBondContact O-N 3Å; D201-K203 WeakPolarHBondContact OD1-CB 3.49Å; D201-K203 PolarHBondContact OD1-N 3.2Å
204N80.3Confident86.6Confident27 Ų2753.9 Ų53.914%0.14429%0.285CS..  trans-135.869.3-179-169.29.4000112D201 Q202 E206 L207 S231D201-N204 PolarHBondContact O-N 3.25Å; Q202-N204 VanDerWaalsContact C-N 3.29Å; N204-E206 PolarHBondContact O-N 3.31Å; N204-L207 PolarHBondContact O-N 3.49Å; N204-L207 PolarHBondContact OD1-N 3.42Å; N204-S231 WeakPolarHBondContact ND2-CA 3.28Å
205P84.2Confident86.4Confident42 Ų4256.9 Ų56.927%0.27331%0.306SS..Hα-helixtrans-66.5-24176.429.2-35.2000112.4L207 R208 R209P205-L207 VanDerWaalsContact C-N 3.32Å; P205-L207 PolarHBondContact O-N 2.99Å; P205-R208 WeakPolarHBondContact O-CB 3.47Å; P205-R208 PolarHBondContact O-N 3.25Å; P205-R208 VanDerWaalsContact O-N 3.16Å; P205-R209 WeakPolarHBondContact O-CG 3.44Å; P205-R209 PolarHBondContact O-N 3.3Å
206E84.7Confident86.3Confident96 Ų9658.2 Ų58.245%0.44931%0.314SS..Hα-helixtrans-60.9-38.4178.8-72.6-59.9135.100112.4N204 R208 R209 N210N204-E206 PolarHBondContact O-N 3.31Å; E206-R208 VanDerWaalsContact C-N 3.33Å; E206-R208 PolarHBondContact O-N 2.85Å; E206-R209 PolarHBondContact O-N 3.03Å; E206-R209 IonicContact OE1-NH1 3.94Å; E206-N210 VanDerWaalsContact O-CB 3.32Å; E206-N210 WeakPolarHBondContact O-CB 3.33Å; E206-N210 PolarHBondContact O-N 3.34Å; E206-N210 PolarHBondContact O-ND2 3.4Å
207L85.6Confident86.1Confident14 Ų1459.4 Ų59.47%0.07333%0.327CS..Hα-helixtrans-59.3-45.9174.7-177.773.3000111.2N198 N204 P205 N210 V211 I216 M229N198-L207 HydrophobicContact CB-CD2 4.1Å; N204-L207 PolarHBondContact O-N 3.49Å; N204-L207 PolarHBondContact OD1-N 3.42Å; P205-L207 VanDerWaalsContact C-N 3.32Å; P205-L207 PolarHBondContact O-N 2.99Å; L207-N210 PolarHBondContact O-N 2.92Å; L207-V211 VanDerWaalsContact O-CG2 3.23Å; L207-V211 WeakPolarHBondContact O-CG2 3.46Å; L207-V211 PolarHBondContact O-N 3.3Å; L207-V211 VanDerWaalsContact O-N 3.09Å; L207-I216 HydrophobicContact CD1-CD1 3.75Å; L207-M229 HydrophobicContact CD2-CB 4.02Å; L207-M229 HydrophobicContact CD2-CG 4.47Å
208R87.4Confident86Confident6 Ų656.8 Ų56.82%0.02331%0.308CS..Hα-helixtrans-63.7-44.3178.3178.617759-134.17.4111.1T155 D158 P205 E206 N210 V211 L212T155-R208 WeakPolarHBondContact O-CD 3.46Å; T155-R208 PolarHBondContact O-NE 2.91Å; T155-R208 PolarHBondContact O-NH1 3.19Å; T155-R208 VanDerWaalsContact O-NH1 3.17Å; T155-R208 PolarHBondContact O-NH2 2.84Å; D158-R208 IonicContact OD2-CZ 3.27Å; D158-R208 VanDerWaalsContact OD2-CZ 3.24Å; D158-R208 IonicContact OD2-NE 2.82Å; D158-R208 PolarHBondContact OD2-NE 3.16Å; D158-R208 IonicContact OD2-NH2 2.89Å; D158-R208 PolarHBondContact OD2-NH2 3.1Å; P205-R208 WeakPolarHBondContact O-CB 3.47Å; P205-R208 PolarHBondContact O-N 3.25Å; P205-R208 VanDerWaalsContact O-N 3.16Å; E206-R208 VanDerWaalsContact C-N 3.33Å; E206-R208 PolarHBondContact O-N 2.85Å; R208-N210 PolarHBondContact O-N 3.26Å; R208-V211 PolarHBondContact O-N 3.17Å; R208-L212 HydrophobicContact CG-CD1 3.91Å; R208-L212 HydrophobicContact CG-CG 4.41Å; R208-L212 WeakPolarHBondContact O-CG 3.46Å; R208-L212 PolarHBondContact O-N 3.43Å
209R87.7Confident86Confident106 Ų10660.6 Ų60.640%0.433%0.325SS..Hα-helixtrans-59.9-44.7176.3-71.1174175.8-168-6.7112.1D158 P205 E206 V211 L212 C213D158-R209 HydrophobicContact CB-CG 4.29Å; D158-R209 IonicContact OD1-CZ 3.81Å; D158-R209 IonicContact OD1-NE 3.09Å; D158-R209 PolarHBondContact OD1-NE 2.93Å; D158-R209 IonicContact OD1-NH2 2.76Å; D158-R209 PolarHBondContact OD1-NH2 2.88Å; P205-R209 WeakPolarHBondContact O-CG 3.44Å; P205-R209 PolarHBondContact O-N 3.3Å; E206-R209 PolarHBondContact O-N 3.03Å; E206-R209 IonicContact OE1-NH1 3.94Å; R209-V211 VanDerWaalsContact C-N 3.27Å; R209-V211 PolarHBondContact O-N 3.09Å; R209-L212 PolarHBondContact O-N 3.22Å; R209-C213 WeakPolarHBondContact O-CB 3.15Å; R209-C213 PolarHBondContact O-N 3.21Å; R209-C213 PolarHBondContact O-SG 3.42Å
210N87.9Confident86Confident58 Ų5867.3 Ų67.331%0.3135%0.35SS..Hα-helixtrans-63.4-31.6177.6-73.9-33.3000113.3E206 L207 R208 C213 G214 S215 I216E206-N210 VanDerWaalsContact O-CB 3.32Å; E206-N210 WeakPolarHBondContact O-CB 3.33Å; E206-N210 PolarHBondContact O-N 3.34Å; E206-N210 PolarHBondContact O-ND2 3.4Å; L207-N210 PolarHBondContact O-N 2.92Å; R208-N210 PolarHBondContact O-N 3.26Å; N210-C213 VanDerWaalsContact CA-SG 3.54Å; N210-G214 PolarHBondContact O-N 3.04Å; N210-S215 WeakPolarHBondContact O-CB 3.45Å; N210-S215 PolarHBondContact O-N 3.34Å; N210-I216 HydrophobicContact CB-CD1 3.84Å; N210-I216 HydrophobicContact CB-CG1 4.11Å; N210-I216 PolarHBondContact O-N 3.13Å
211V88.6Confident85.9Confident3 Ų361.6 Ų61.62%0.01833%0.325CS..Hα-helixtrans-75.5-41.7174.1173.20000110.8L153 L169 I173 L199 L207 R208 R209 G214 I216 I221L153-V211 HydrophobicContact CD2-CG1 4.16Å; L169-V211 HydrophobicContact CD2-CG1 4.04Å; I173-V211 HydrophobicContact CD1-CG1 4.37Å; L199-V211 HydrophobicContact CD2-CB 4.42Å; L199-V211 HydrophobicContact CD2-CG1 4.41Å; L199-V211 HydrophobicContact CD2-CG2 4.2Å; L207-V211 VanDerWaalsContact O-CG2 3.23Å; L207-V211 WeakPolarHBondContact O-CG2 3.46Å; L207-V211 PolarHBondContact O-N 3.3Å; L207-V211 VanDerWaalsContact O-N 3.09Å; R208-V211 PolarHBondContact O-N 3.17Å; R209-V211 VanDerWaalsContact C-N 3.27Å; R209-V211 PolarHBondContact O-N 3.09Å; V211-G214 PolarHBondContact O-N 2.99Å; V211-I216 HydrophobicContact CG2-CB 4Å; V211-I216 HydrophobicContact CG2-CD1 4.13Å; V211-I216 HydrophobicContact CG2-CG2 4.25Å; V211-I221 HydrophobicContact CG1-CD1 4.14Å; V211-I221 HydrophobicContact CG2-CD1 3.64Å
212L87.3Confident85.9Confident4 Ų459.2 Ų59.22%0.02131%0.313CS..Hα-helixtrans-67.2-39178.2-72.3169.7000112.6L153 D158 F159 I162 L169 R208 R209 G214L153-L212 HydrophobicContact CD2-CD2 4.45Å; D158-L212 HydrophobicContact CB-CD1 3.92Å; F159-L212 HydrophobicContact CB-CD1 4.14Å; F159-L212 HydrophobicContact CB-CD2 4.05Å; I162-L212 HydrophobicContact CD1-CB 3.51Å; I162-L212 HydrophobicContact CD1-CD1 4.13Å; I162-L212 HydrophobicContact CD1-CG 4.48Å; L169-L212 HydrophobicContact CD2-CD2 4.31Å; R208-L212 HydrophobicContact CG-CD1 3.91Å; R208-L212 HydrophobicContact CG-CG 4.41Å; R208-L212 WeakPolarHBondContact O-CG 3.46Å; R208-L212 PolarHBondContact O-N 3.43Å; R209-L212 PolarHBondContact O-N 3.22Å; L212-G214 VanDerWaalsContact C-N 3.26Å; L212-G214 PolarHBondContact O-N 3.31Å
213C84.8Confident85.9Confident71 Ų7155.5 Ų55.548%0.4830%0.302SS..THydrogen-bonded Turntrans-81.3-2.4178.171.70000113.8R209 N210 S215R209-C213 WeakPolarHBondContact O-CB 3.15Å; R209-C213 PolarHBondContact O-N 3.21Å; R209-C213 PolarHBondContact O-SG 3.42Å; N210-C213 VanDerWaalsContact CA-SG 3.54Å; C213-S215 VanDerWaalsContact C-N 3.34Å; C213-S215 PolarHBondContact O-N 3.03Å; C213-S215 PolarHBondContact SG-OG 3.48Å
214G83.3Confident85.9Confident54 Ų5447.7 Ų47.756%0.55727%0.269SS*.THydrogen-bonded Turntrans81.63.5178.100000115.4N210 V211 L212 I216N210-G214 PolarHBondContact O-N 3.04Å; V211-G214 PolarHBondContact O-N 2.99Å; L212-G214 VanDerWaalsContact C-N 3.26Å; L212-G214 PolarHBondContact O-N 3.31Å; G214-I216 PolarHBondContact O-N 3.29Å
215S85.9Confident85.8Confident90 Ų9049.2 Ų49.263%0.62928%0.279SS*.SBendtrans-58-31.6171.4-65.20000112.3N210 C213N210-S215 WeakPolarHBondContact O-CB 3.45Å; N210-S215 PolarHBondContact O-N 3.34Å; C213-S215 VanDerWaalsContact C-N 3.34Å; C213-S215 PolarHBondContact O-N 3.03Å; C213-S215 PolarHBondContact SG-OG 3.48Å
216I87.3Confident85Confident30 Ų3049.4 Ų49.415%0.15428%0.284CS..SBendtrans-110.2113.3171.9-60.1171.9000108.9L207 N210 V211 G214 R220 I221 M224L207-I216 HydrophobicContact CD1-CD1 3.75Å; N210-I216 HydrophobicContact CB-CD1 3.84Å; N210-I216 HydrophobicContact CB-CG1 4.11Å; N210-I216 PolarHBondContact O-N 3.13Å; V211-I216 HydrophobicContact CG2-CB 4Å; V211-I216 HydrophobicContact CG2-CD1 4.13Å; V211-I216 HydrophobicContact CG2-CG2 4.25Å; G214-I216 PolarHBondContact O-N 3.29Å; I216-R220 HydrophobicContact CG2-CB 4.28Å; I216-R220 HydrophobicContact CG2-CG 4.37Å; I216-I221 HydrophobicContact CG2-CB 4.05Å; I216-M224 HydrophobicContact CG2-SD 4.49Å
217A87.8Confident84.1Confident47 Ų4751.8 Ų51.839%0.38830%0.295SS..  trans-64.8148.7178.200000112.4E219 R220 I221A217-E219 PolarHBondContact O-N 3.35Å; A217-E219 VanDerWaalsContact O-N 3.15Å; A217-R220 HydrophobicContact CB-CB 4.42Å; A217-R220 WeakPolarHBondContact O-CB 3.38Å; A217-R220 PolarHBondContact O-N 3.22Å; A217-I221 PolarHBondContact O-N 3.45Å
218P87.3Confident83.2Confident24 Ų2455.2 Ų55.216%0.15631%0.311CS..Hα-helixtrans-54.5-33.2175.8-28.436.4000113.9L169 Q172 I173 I221 A222L169-P218 HydrophobicContact CD1-CG 3.81Å; Q172-P218 HydrophobicContact CB-CB 4.08Å; Q172-P218 HydrophobicContact CB-CG 4.27Å; I173-P218 HydrophobicContact CG1-CB 4.04Å; P218-I221 VanDerWaalsContact O-CG2 3.29Å; P218-I221 WeakPolarHBondContact O-CG2 3.44Å; P218-A222 VanDerWaalsContact O-CB 3.27Å; P218-A222 WeakPolarHBondContact O-CB 3.42Å; P218-A222 PolarHBondContact O-N 3.08Å
219E88.8Confident82.1Confident102 Ų10255.1 Ų55.148%0.47731%0.311SS..Hα-helixtrans-66.5-42174.7-61.1-176.7-173.500112.5R176 A217 A222 S223R176-E219 HydrophobicContact CG-CG 4.24Å; R176-E219 VanDerWaalsContact CZ-CD 3.45Å; R176-E219 IonicContact CZ-OE1 3.92Å; R176-E219 IonicContact NE-OE1 2.88Å; R176-E219 IonicContact NH1-OE1 3.21Å; R176-E219 PolarHBondContact NH1-OE1 2.92Å; R176-E219 IonicContact NH1-OE2 3.72Å; R176-E219 IonicContact NH2-OE1 3.9Å; R176-E219 PolarHBondContact NH2-OE1 2.86Å; A217-E219 PolarHBondContact O-N 3.35Å; A217-E219 VanDerWaalsContact O-N 3.15Å; E219-A222 PolarHBondContact O-N 2.77Å; E219-S223 PolarHBondContact O-N 3Å; E219-S223 VanDerWaalsContact O-N 3.14Å; E219-S223 PolarHBondContact O-OG 3Å
220R87.1Confident81.1Confident144 Ų14450.8 Ų50.854%0.54330%0.297SS..Hα-helixtrans-69.7-43-178.1-175.661.1-178.7-162.37.3110.2I216 A217 A222 S223 M224I216-R220 HydrophobicContact CG2-CB 4.28Å; I216-R220 HydrophobicContact CG2-CG 4.37Å; A217-R220 HydrophobicContact CB-CB 4.42Å; A217-R220 WeakPolarHBondContact O-CB 3.38Å; A217-R220 PolarHBondContact O-N 3.22Å; R220-A222 VanDerWaalsContact C-N 3.34Å; R220-S223 PolarHBondContact O-N 2.96Å; R220-S223 PolarHBondContact O-OG 3.04Å; R220-M224 HydrophobicContact CG-CE 4.03Å; R220-M224 VanDerWaalsContact O-CB 3.25Å; R220-M224 WeakPolarHBondContact O-CB 3.22Å; R220-M224 VanDerWaalsContact O-CG 3.27Å; R220-M224 WeakPolarHBondContact O-CG 3.47Å; R220-M224 PolarHBondContact O-N 3.2Å
221I87.9Confident80.3Confident0 Ų049.2 Ų49.20%029%0.291CS..Hα-helixtrans-67.6-34.2175-161179.8000112.1I173 R195 L199 V211 I216 A217 P218 S223 M224 M229I173-I221 HydrophobicContact CD1-CD1 4.5Å; I173-I221 HydrophobicContact CD1-CG2 3.87Å; I173-I221 HydrophobicContact CG1-CG2 3.7Å; I173-I221 HydrophobicContact CG2-CG2 4.1Å; R195-I221 WeakPolarHBondContact CD-O 3.49Å; R195-I221 PolarHBondContact NE-O 3.16Å; R195-I221 PolarHBondContact NH2-O 3.47Å; L199-I221 HydrophobicContact CD1-CD1 4.24Å; L199-I221 HydrophobicContact CD2-CD1 3.86Å; L199-I221 HydrophobicContact CG-CD1 4.24Å; V211-I221 HydrophobicContact CG1-CD1 4.14Å; V211-I221 HydrophobicContact CG2-CD1 3.64Å; I216-I221 HydrophobicContact CG2-CB 4.05Å; A217-I221 PolarHBondContact O-N 3.45Å; P218-I221 VanDerWaalsContact O-CG2 3.29Å; P218-I221 WeakPolarHBondContact O-CG2 3.44Å; I221-S223 VanDerWaalsContact C-N 3.32Å; I221-S223 PolarHBondContact O-N 3.04Å; I221-M224 HydrophobicContact CB-SD 4.2Å; I221-M224 HydrophobicContact CG1-SD 4.03Å; I221-M229 HydrophobicContact CG1-SD 4.11Å
222A87.1Confident79.4Confident4 Ų452.5 Ų52.53%0.03332%0.318CS..Hα-helixtrans-63.5-36.7175.900000112.6R176 I177 R195 P218 E219 R220R176-A222 HydrophobicContact CB-CB 3.53Å; I177-A222 HydrophobicContact CG1-CB 3.74Å; R195-A222 VanDerWaalsContact NH2-C 3.3Å; R195-A222 PolarHBondContact NH2-O 3.24Å; P218-A222 VanDerWaalsContact O-CB 3.27Å; P218-A222 WeakPolarHBondContact O-CB 3.42Å; P218-A222 PolarHBondContact O-N 3.08Å; E219-A222 PolarHBondContact O-N 2.77Å; R220-A222 VanDerWaalsContact C-N 3.34Å
223S83.4Confident78.8Confident59 Ų5959 Ų5941%0.41335%0.349SS..Hα-helixtrans-91.8-37.8-175.9530000115.1R191 E219 R220 I221R191-S223 PolarHBondContact NH1-O 2.83Å; E219-S223 PolarHBondContact O-N 3Å; E219-S223 VanDerWaalsContact O-N 3.14Å; E219-S223 PolarHBondContact O-OG 3Å; R220-S223 PolarHBondContact O-N 2.96Å; R220-S223 PolarHBondContact O-OG 3.04Å; I221-S223 VanDerWaalsContact C-N 3.32Å; I221-S223 PolarHBondContact O-N 3.04Å
224M80.2Confident78.3Confident21 Ų2158.8 Ų58.810%0.10334%0.342CS..SBendtrans-56.3147.1-170.366.8-170.1-900114.7R195 I216 R220 I221 M229R195-M224 PolarHBondContact NH1-O 3.21Å; R195-M224 PolarHBondContact NH2-O 2.93Å; I216-M224 HydrophobicContact CG2-SD 4.49Å; R220-M224 HydrophobicContact CG-CE 4.03Å; R220-M224 VanDerWaalsContact O-CB 3.25Å; R220-M224 WeakPolarHBondContact O-CB 3.22Å; R220-M224 VanDerWaalsContact O-CG 3.27Å; R220-M224 WeakPolarHBondContact O-CG 3.47Å; R220-M224 PolarHBondContact O-N 3.2Å; I221-M224 HydrophobicContact CB-SD 4.2Å; I221-M224 HydrophobicContact CG1-SD 4.03Å; M224-M229 HydrophobicContact CE-CG 4.35Å; M224-M229 HydrophobicContact CG-CE 4.5Å; M224-M229 HydrophobicContact CG-CG 3.56Å; M224-M229 HydrophobicContact CG-SD 3.65Å; M224-M229 HydrophobicContact SD-CG 3.31Å; M224-M229 WeakPolarHBondContact SD-CG 3.3Å; M224-M229 HydrophobicContact SD-SD 3.64Å; M224-M229 VanDerWaalsContact SD-SD 3.64Å
225T76.9Confident78.1Confident59 Ų5959.5 Ų59.536%0.36233%0.33SS..  trans-73.1157-177.264.80000111.5E227 E228 M229T225-E227 PolarHBondContact O-N 2.6Å; T225-E228 PolarHBondContact N-OE2 3.06Å; T225-E228 PolarHBondContact O-N 3.07Å; T225-E228 WeakPolarHBondContact OG1-CB 3.45Å; T225-E228 WeakPolarHBondContact OG1-CG 3.19Å; T225-E228 PolarHBondContact OG1-N 3.25Å; T225-M229 PolarHBondContact O-N 3.18Å
226A68.5Low77.8Confident45 Ų4561.4 Ų61.437%0.37233%0.329SS..THydrogen-bonded Turntrans-63.4-23.417600000112.6M229A226-M229 HydrophobicContact CB-CE 4.39Å
227E64.6Low77.7Confident147 Ų14763.8 Ų63.869%0.68734%0.341SS*.THydrogen-bonded Turntrans-76.2-37.9176.6-65.1170.5-173.900111.5T225 M229 A230T225-E227 PolarHBondContact O-N 2.6Å; E227-M229 VanDerWaalsContact C-N 3.27Å; E227-M229 PolarHBondContact O-N 3.03Å; E227-A230 PolarHBondContact O-N 3.4Å
228E67.3Low77.5Confident86 Ų8667.3 Ų67.340%0.40235%0.345SS..THydrogen-bonded Turntrans-69.4-22.3176.1-75.8169.5-175.300113.8T225T225-E228 PolarHBondContact N-OE2 3.06Å; T225-E228 PolarHBondContact O-N 3.07Å; T225-E228 WeakPolarHBondContact OG1-CB 3.45Å; T225-E228 WeakPolarHBondContact OG1-CG 3.19Å; T225-E228 PolarHBondContact OG1-N 3.25Å
229M65.1Low77.4Confident4 Ų471.3 Ų71.32%0.0236%0.361CS..THydrogen-bonded Turntrans-88.6-10.1178.6-71.2-174.1-61.400114.4N198 L207 I221 M224 T225 A226 E227N198-M229 HydrophobicContact CB-CB 4.25Å; N198-M229 HydrophobicContact CB-CE 4.05Å; N198-M229 HydrophobicContact CB-SD 4.27Å; L207-M229 HydrophobicContact CD2-CB 4.02Å; L207-M229 HydrophobicContact CD2-CG 4.47Å; I221-M229 HydrophobicContact CG1-SD 4.11Å; M224-M229 HydrophobicContact CE-CG 4.35Å; M224-M229 HydrophobicContact CG-CE 4.5Å; M224-M229 HydrophobicContact CG-CG 3.56Å; M224-M229 HydrophobicContact CG-SD 3.65Å; M224-M229 HydrophobicContact SD-CG 3.31Å; M224-M229 WeakPolarHBondContact SD-CG 3.3Å; M224-M229 HydrophobicContact SD-SD 3.64Å; M224-M229 VanDerWaalsContact SD-SD 3.64Å; T225-M229 PolarHBondContact O-N 3.18Å; A226-M229 HydrophobicContact CB-CE 4.39Å; E227-M229 VanDerWaalsContact C-N 3.27Å; E227-M229 PolarHBondContact O-N 3.03Å
230A66Low77.5Confident14 Ų1468.6 Ų68.612%0.11636%0.356CS..SBendtrans-62.6158.4176.200000110.8E227 A232E227-A230 PolarHBondContact O-N 3.4Å; A230-A232 PolarHBondContact O-N 3.11Å
231S71.1Confident77.6Confident25 Ų2566.6 Ų66.618%0.17536%0.356CS..  trans-52.7142.7176.564.90000110.8N204 E233 L234 K235N204-S231 WeakPolarHBondContact ND2-CA 3.28Å; S231-E233 PolarHBondContact O-N 3.08Å; S231-E233 VanDerWaalsContact O-N 3.14Å; S231-L234 PolarHBondContact O-N 3.4Å; S231-L234 WeakPolarHBondContact OG-CB 3.24Å; S231-L234 PolarHBondContact OG-N 2.85Å; S231-K235 WeakPolarHBondContact O-CB 3.36Å; S231-K235 PolarHBondContact O-N 3.34Å
232A69.6Low77.7Confident72 Ų7270.4 Ų70.460%0.59538%0.379SS*.Hα-helixtrans-54.6-37.8-175.600000112A230 Q236A230-A232 PolarHBondContact O-N 3.11Å; A232-Q236 VanDerWaalsContact O-CG 3.25Å; A232-Q236 WeakPolarHBondContact O-CG 3.3Å; A232-Q236 PolarHBondContact O-N 3.21Å
233E75.1Confident77.9Confident142 Ų14276.9 Ų76.966%0.66441%0.407SS*.Hα-helixtrans-67.6-47.2176.6-168.2-178.4-173.600112.4S231 K235 Q236 I237S231-E233 PolarHBondContact O-N 3.08Å; S231-E233 VanDerWaalsContact O-N 3.14Å; E233-K235 VanDerWaalsContact C-N 3.29Å; E233-K235 PolarHBondContact O-N 2.68Å; E233-Q236 PolarHBondContact O-N 2.95Å; E233-I237 HydrophobicContact CG-CD1 4.16Å; E233-I237 VanDerWaalsContact O-CG1 3.3Å; E233-I237 WeakPolarHBondContact O-CG1 3.48Å; E233-I237 PolarHBondContact O-N 2.89Å
234L74.8Confident78.1Confident65 Ų6578.4 Ų78.434%0.3441%0.407SS..Hα-helixtrans-68.1-32.9179.9-173.459.9000112S231 R238S231-L234 PolarHBondContact O-N 3.4Å; S231-L234 WeakPolarHBondContact OG-CB 3.24Å; S231-L234 PolarHBondContact OG-N 2.85Å; L234-R238 WeakPolarHBondContact O-CB 3.46Å; L234-R238 VanDerWaalsContact O-CG 3.3Å; L234-R238 WeakPolarHBondContact O-CG 3.5Å; L234-R238 PolarHBondContact O-N 2.94Å
235K77.8Confident78.6Confident70 Ų7079.9 Ų79.930%0.30442%0.419SS..Hα-helixtrans-62-51172.6-178.7177.2175.4-179.20110.6S231 E233 I237 R238 E239S231-K235 WeakPolarHBondContact O-CB 3.36Å; S231-K235 PolarHBondContact O-N 3.34Å; E233-K235 VanDerWaalsContact C-N 3.29Å; E233-K235 PolarHBondContact O-N 2.68Å; K235-I237 VanDerWaalsContact C-N 3.33Å; K235-I237 PolarHBondContact O-N 3.11Å; K235-R238 PolarHBondContact O-N 3.38Å; K235-E239 WeakPolarHBondContact CE-OE1 3.3Å; K235-E239 WeakPolarHBondContact CG-OE1 3.42Å; K235-E239 WeakPolarHBondContact O-CB 3.23Å; K235-E239 WeakPolarHBondContact O-CG 3.5Å; K235-E239 PolarHBondContact O-N 3.02Å
236Q80.9Confident79.1Confident130 Ų13081.2 Ų81.261%0.60742%0.423SS*.Hα-helixtrans-59.8-42177.5-73.5172.713.100112.1A232 E233 E239 A240A232-Q236 VanDerWaalsContact O-CG 3.25Å; A232-Q236 WeakPolarHBondContact O-CG 3.3Å; A232-Q236 PolarHBondContact O-N 3.21Å; E233-Q236 PolarHBondContact O-N 2.95Å; Q236-E239 PolarHBondContact O-N 2.84Å; Q236-A240 VanDerWaalsContact O-CB 3.29Å; Q236-A240 WeakPolarHBondContact O-CB 3.48Å; Q236-A240 PolarHBondContact O-N 2.8Å
237I84.8Confident80Confident80 Ų8085.5 Ų85.541%0.4143%0.43SS..Hα-helixtrans-62.6-46.9177.2-68.2165.2000111E233 K235 E239 A240 L241E233-I237 HydrophobicContact CG-CD1 4.16Å; E233-I237 VanDerWaalsContact O-CG1 3.3Å; E233-I237 WeakPolarHBondContact O-CG1 3.48Å; E233-I237 PolarHBondContact O-N 2.89Å; K235-I237 VanDerWaalsContact C-N 3.33Å; K235-I237 PolarHBondContact O-N 3.11Å; I237-E239 PolarHBondContact O-N 3.49Å; I237-A240 PolarHBondContact O-N 2.95Å; I237-L241 HydrophobicContact CG2-CD1 3.87Å; I237-L241 HydrophobicContact CG2-CG 4.4Å; I237-L241 WeakPolarHBondContact O-CB 3.23Å; I237-L241 WeakPolarHBondContact O-CG 3.44Å; I237-L241 PolarHBondContact O-N 3.47Å
238R84.3Confident80.9Confident121 Ų12185.5 Ų85.546%0.45743%0.43SS..Hα-helixtrans-63.2-43178.4-73.9173.9-177.1160.90.5111.8L234 K235 L241 T242L234-R238 WeakPolarHBondContact O-CB 3.46Å; L234-R238 VanDerWaalsContact O-CG 3.3Å; L234-R238 WeakPolarHBondContact O-CG 3.5Å; L234-R238 PolarHBondContact O-N 2.94Å; K235-R238 PolarHBondContact O-N 3.38Å; R238-L241 PolarHBondContact O-N 2.97Å; R238-T242 VanDerWaalsContact O-CB 3.29Å; R238-T242 WeakPolarHBondContact O-CB 3.45Å; R238-T242 PolarHBondContact O-N 3.44Å; R238-T242 PolarHBondContact O-OG1 2.89Å
239E85.1Confident81.6Confident107 Ų10788.3 Ų88.350%0.544%0.443SS..Hα-helixtrans-62.8-43.3177.5-74.1174.1-174.400111.3K235 Q236 I237 T242 K243K235-E239 WeakPolarHBondContact CE-OE1 3.3Å; K235-E239 WeakPolarHBondContact CG-OE1 3.42Å; K235-E239 WeakPolarHBondContact O-CB 3.23Å; K235-E239 WeakPolarHBondContact O-CG 3.5Å; K235-E239 PolarHBondContact O-N 3.02Å; Q236-E239 PolarHBondContact O-N 2.84Å; I237-E239 PolarHBondContact O-N 3.49Å; E239-T242 PolarHBondContact O-N 2.93Å; E239-K243 WeakPolarHBondContact O-CB 3.43Å; E239-K243 PolarHBondContact O-N 3.08Å
240A89.6Confident82.3Confident45 Ų4595.3 Ų95.337%0.37248%0.476SS..Hα-helixtrans-61.7-51.8176.300000111.6Q236 I237 T242 K243 E244Q236-A240 VanDerWaalsContact O-CB 3.29Å; Q236-A240 WeakPolarHBondContact O-CB 3.48Å; Q236-A240 PolarHBondContact O-N 2.8Å; I237-A240 PolarHBondContact O-N 2.95Å; A240-T242 VanDerWaalsContact C-N 3.34Å; A240-T242 PolarHBondContact O-N 2.82Å; A240-K243 PolarHBondContact O-N 3.43Å; A240-E244 WeakPolarHBondContact O-CB 3.3Å; A240-E244 VanDerWaalsContact O-CG 3.31Å; A240-E244 WeakPolarHBondContact O-CG 3.46Å; A240-E244 PolarHBondContact O-N 3.09Å
241L89.4Confident82.7Confident102 Ų102100.7 Ų100.753%0.53450%0.501SS..Hα-helixtrans-61.8-40.8178.7-71.5173.3000112.4I237 R238 E244 S245I237-L241 HydrophobicContact CG2-CD1 3.87Å; I237-L241 HydrophobicContact CG2-CG 4.4Å; I237-L241 WeakPolarHBondContact O-CB 3.23Å; I237-L241 WeakPolarHBondContact O-CG 3.44Å; I237-L241 PolarHBondContact O-N 3.47Å; R238-L241 PolarHBondContact O-N 2.97Å; L241-E244 PolarHBondContact O-N 3.4Å; L241-S245 VanDerWaalsContact O-CB 3.29Å; L241-S245 WeakPolarHBondContact O-CB 3.39Å; L241-S245 PolarHBondContact O-N 2.95Å
242T90.1Very high82.2Confident81 Ų81104.5 Ų104.550%0.49753%0.528SS..Hα-helixtrans-64.5-44.3177.3-54.70000110.4R238 E239 A240 S245 I246R238-T242 VanDerWaalsContact O-CB 3.29Å; R238-T242 WeakPolarHBondContact O-CB 3.45Å; R238-T242 PolarHBondContact O-N 3.44Å; R238-T242 PolarHBondContact O-OG1 2.89Å; E239-T242 PolarHBondContact O-N 2.93Å; A240-T242 VanDerWaalsContact C-N 3.34Å; A240-T242 PolarHBondContact O-N 2.82Å; T242-S245 PolarHBondContact O-N 2.87Å; T242-I246 HydrophobicContact CG2-CD1 3.99Å; T242-I246 WeakPolarHBondContact O-CD1 3.37Å; T242-I246 VanDerWaalsContact O-CG1 3.23Å; T242-I246 WeakPolarHBondContact O-CG1 3.2Å; T242-I246 PolarHBondContact O-N 3.42Å
243K90.8Very high82Confident140 Ų140110 Ų11061%0.60954%0.539SS*.Hα-helixtrans-65.4-38.7177.7-174.9175.2-178178.20112.1E239 A240 R247E239-K243 WeakPolarHBondContact O-CB 3.43Å; E239-K243 PolarHBondContact O-N 3.08Å; A240-K243 PolarHBondContact O-N 3.43Å; K243-R247 WeakPolarHBondContact O-CB 3.3Å; K243-R247 PolarHBondContact O-N 3.01Å
244E88.3Confident81.6Confident91 Ų91108 Ų10843%0.42554%0.536SS..Hα-helixtrans-65.7-46.8174.4-76.9176.6173.900111.4A240 L241 I246 R247 E248A240-E244 WeakPolarHBondContact O-CB 3.3Å; A240-E244 VanDerWaalsContact O-CG 3.31Å; A240-E244 WeakPolarHBondContact O-CG 3.46Å; A240-E244 PolarHBondContact O-N 3.09Å; L241-E244 PolarHBondContact O-N 3.4Å; E244-I246 VanDerWaalsContact C-N 3.33Å; E244-I246 PolarHBondContact O-N 3.38Å; E244-R247 WeakPolarHBondContact O-CB 2.97Å; E244-R247 PolarHBondContact O-N 3.22Å; E244-R247 VanDerWaalsContact O-N 3.1Å; E244-E248 WeakPolarHBondContact O-CG 3.43Å; E244-E248 PolarHBondContact O-N 3.4Å
245S90.1Very high81.4Confident51 Ų51108.1 Ų108.136%0.35755%0.553SS.*Hα-helixtrans-58.6-45.6175.8-171.10000111.3L241 T242 R247 E248 H249L241-S245 VanDerWaalsContact O-CB 3.29Å; L241-S245 WeakPolarHBondContact O-CB 3.39Å; L241-S245 PolarHBondContact O-N 2.95Å; T242-S245 PolarHBondContact O-N 2.87Å; S245-R247 VanDerWaalsContact C-N 3.33Å; S245-R247 PolarHBondContact O-N 3.08Å; S245-E248 PolarHBondContact O-N 3.13Å; S245-H249 WeakPolarHBondContact O-CB 3.41Å; S245-H249 PolarHBondContact O-N 3.18Å; S245-H249 PolarHBondContact O-ND1 3.04Å; S245-H249 PolarHBondContact OG-CE1 2.94Å; S245-H249 PolarHBondContact OG-ND1 2.7Å
246I87.8Confident81.4Confident88 Ų88106.5 Ų106.545%0.45156%0.556SS.*Hα-helixtrans-60.2-45.1175.3-68.4163.9000110.6T242 E244 E248 H249 Q250T242-I246 HydrophobicContact CG2-CD1 3.99Å; T242-I246 WeakPolarHBondContact O-CD1 3.37Å; T242-I246 VanDerWaalsContact O-CG1 3.23Å; T242-I246 WeakPolarHBondContact O-CG1 3.2Å; T242-I246 PolarHBondContact O-N 3.42Å; E244-I246 VanDerWaalsContact C-N 3.33Å; E244-I246 PolarHBondContact O-N 3.38Å; I246-E248 PolarHBondContact O-N 2.84Å; I246-H249 PolarHBondContact O-N 3.01Å; I246-Q250 HydrophobicContact CG2-CG 4.29Å; I246-Q250 WeakPolarHBondContact O-CB 3.12Å; I246-Q250 VanDerWaalsContact O-CG 3.28Å; I246-Q250 WeakPolarHBondContact O-CG 3.4Å; I246-Q250 PolarHBondContact O-N 2.95Å
247R87.6Confident81.4Confident135 Ų135103.7 Ų103.751%0.50955%0.548SS..Hα-helixtrans-61.6-44179.4-169.3-167.3-57.8127.10.2111.6K243 E244 S245 Q250 L251K243-R247 WeakPolarHBondContact O-CB 3.3Å; K243-R247 PolarHBondContact O-N 3.01Å; E244-R247 WeakPolarHBondContact O-CB 2.97Å; E244-R247 PolarHBondContact O-N 3.22Å; E244-R247 VanDerWaalsContact O-N 3.1Å; S245-R247 VanDerWaalsContact C-N 3.33Å; S245-R247 PolarHBondContact O-N 3.08Å; R247-Q250 PolarHBondContact O-N 3.45Å; R247-L251 PolarHBondContact O-N 3.14Å; R247-L251 VanDerWaalsContact O-N 3.14Å
248E83.3Confident81.5Confident147 Ų147107.3 Ų107.369%0.68756%0.563SS**Hα-helixtrans-63.6-43.8176.5-74.8-174164.300111.8E244 S245 I246 Q250 L251E244-E248 WeakPolarHBondContact O-CG 3.43Å; E244-E248 PolarHBondContact O-N 3.4Å; S245-E248 PolarHBondContact O-N 3.13Å; I246-E248 PolarHBondContact O-N 2.84Å; E248-Q250 VanDerWaalsContact C-N 3.35Å; E248-Q250 PolarHBondContact O-N 3.33Å; E248-L251 PolarHBondContact O-N 2.9Å
249H82.8Confident81.5Confident144 Ų144102.2 Ų102.267%0.66755%0.546SS*.Hα-helixtrans-67.1-35.4178.5-77.180.2000112.5S245 I246 L251S245-H249 WeakPolarHBondContact O-CB 3.41Å; S245-H249 PolarHBondContact O-N 3.18Å; S245-H249 PolarHBondContact O-ND1 3.04Å; S245-H249 PolarHBondContact OG-CE1 2.94Å; S245-H249 PolarHBondContact OG-ND1 2.7Å; I246-H249 PolarHBondContact O-N 3.01Å; H249-L251 VanDerWaalsContact C-N 3.27Å; H249-L251 PolarHBondContact O-N 3.3Å
250Q78.4Confident81.6Confident152 Ų152102.8 Ų102.871%0.7155%0.552SS**Hα-helixtrans-68.3-28.4175-75.6177.9-13.300112.3I246 R247 E248 S252I246-Q250 HydrophobicContact CG2-CG 4.29Å; I246-Q250 WeakPolarHBondContact O-CB 3.12Å; I246-Q250 VanDerWaalsContact O-CG 3.28Å; I246-Q250 WeakPolarHBondContact O-CG 3.4Å; I246-Q250 PolarHBondContact O-N 2.95Å; R247-Q250 PolarHBondContact O-N 3.45Å; E248-Q250 VanDerWaalsContact C-N 3.35Å; E248-Q250 PolarHBondContact O-N 3.33Å; Q250-S252 VanDerWaalsContact C-N 3.27Å; Q250-S252 PolarHBondContact O-N 2.75Å
251L74.4Confident81.4Confident126 Ų126105.5 Ų105.566%0.6656%0.559SS**SBendtrans-83.869.7176.9-145.279.4000110R247 E248 H249 K253R247-L251 PolarHBondContact O-N 3.14Å; R247-L251 VanDerWaalsContact O-N 3.14Å; E248-L251 PolarHBondContact O-N 2.9Å; H249-L251 VanDerWaalsContact C-N 3.27Å; H249-L251 PolarHBondContact O-N 3.3Å; L251-K253 PolarHBondContact O-N 3.43Å
252S61.4Low81.2Confident105 Ų105102 Ų10273%0.73454%0.539SS*.  trans-56.8101.4167.1-91.40000109.4Q250 V254Q250-S252 VanDerWaalsContact C-N 3.27Å; Q250-S252 PolarHBondContact O-N 2.75Å; S252-V254 PolarHBondContact O-N 3.01Å; S252-V254 VanDerWaalsContact O-N 3.12Å
253K66.1Low81.1Confident188 Ų188102.9 Ų102.982%0.81754%0.539SS*.  trans-61.4115.8168.4-70.6-1761791800106.8L251 G255L251-K253 PolarHBondContact O-N 3.43Å; K253-G255 PolarHBondContact O-N 2.98Å
254V66.6Low81.1Confident99 Ų9996.2 Ų96.260%0.651%0.51SS*.  trans-57.6116.6177.2-177.30000107.2S252 G256 L291S252-V254 PolarHBondContact O-N 3.01Å; S252-V254 VanDerWaalsContact O-N 3.12Å; V254-G256 PolarHBondContact O-N 3.05Å; V254-L291 HydrophobicContact CG1-CD2 4.29Å
255G70.8Confident81Confident69 Ų6996.1 Ų96.171%0.71152%0.52SS*.SBendtrans-58.1121.4-175.600000111.3K253K253-G255 PolarHBondContact O-N 2.98Å
256G76.5Confident80.8Confident36 Ų36101.5 Ų101.537%0.37154%0.537SS..SBendtrans162.3154.4179.300000110.8V254V254-G256 PolarHBondContact O-N 3.05Å
257T82Confident80.9Confident71 Ų71100.1 Ų100.144%0.43654%0.535SS..EExtended strand (participates in β ladder)trans-82116.7171.5390000108.7T273 Y274T257-T273 WeakPolarHBondContact O-CA 3.47Å; T257-Y274 PolarHBondContact N-O 3.23Å; T257-Y274 VanDerWaalsContact O-CD1 3.3Å; T257-Y274 WeakPolarHBondContact O-CD1 3.44Å; T257-Y274 PolarHBondContact O-N 3.35Å; T257-Y274 WeakPolarHBondContact OG1-CD1 3.21Å; T257-Y274 WeakPolarHBondContact OG1-CE1 3.46Å; T257-Y274 PolarHBondContact OG1-O 3.08Å; T257-Y274 VanDerWaalsContact OG1-O 3.14Å
258E86.3Confident80.9Confident155 Ų155100.7 Ų100.772%0.72454%0.543SS*.EExtended strand (participates in β ladder)trans-63.6135.4174-65.6179-179.500109.9T273E258-T273 HydrophobicContact CG-CG2 3.84Å
259T84.8Confident81Confident15 Ų1595 Ų959%0.09252%0.523CS..EExtended strand (participates in β ladder)trans-149.8135.8-176.3177.20000110.6M261 F262 C272 Y274T259-M261 VanDerWaalsContact C-N 3.33Å; T259-M261 WeakPolarHBondContact OG1-CB 3.23Å; T259-M261 VanDerWaalsContact OG1-CG 3.25Å; T259-M261 WeakPolarHBondContact OG1-CG 3.4Å; T259-M261 PolarHBondContact OG1-N 3.47Å; T259-F262 HydrophobicContact CG2-CD2 3.78Å; T259-F262 HydrophobicContact CG2-CE2 4.2Å; T259-C272 WeakPolarHBondContact CG2-O 3.39Å; T259-C272 PolarHBondContact N-O 3.17Å; T259-C272 PolarHBondContact O-N 2.98Å; T259-Y274 HydrophobicContact CG2-CD1 3.42Å; T259-Y274 VanDerWaalsContact CG2-CD1 3.42Å; T259-Y274 HydrophobicContact CG2-CE1 4.22Å; T259-Y274 HydrophobicContact CG2-CG 4.22Å
260D85.7Confident81.3Confident118 Ų11893.9 Ų93.963%0.63152%0.516SS*.SBendtrans-92.66173.6-68-29.5000113F262 K270D260-F262 VanDerWaalsContact C-N 3.26Å; D260-F262 PolarHBondContact O-N 3.25Å; D260-K270 HydrophobicContact CB-CB 4.23Å
261M85.6Confident81.7Confident103 Ų10390.7 Ų90.751%0.50751%0.505SS..SBendtrans-75.7-17.6-174.4-60.1177.48100112.8T259 F309T259-M261 VanDerWaalsContact C-N 3.33Å; T259-M261 WeakPolarHBondContact OG1-CB 3.23Å; T259-M261 VanDerWaalsContact OG1-CG 3.25Å; T259-M261 WeakPolarHBondContact OG1-CG 3.4Å; T259-M261 PolarHBondContact OG1-N 3.47Å; M261-F309 HydrophobicContact CE-CD2 3.91Å; M261-F309 HydrophobicContact CE-CE2 3.08Å; M261-F309 HydrophobicContact CE-CZ 3.51Å; M261-F309 HydrophobicContact SD-CE2 3.54Å; M261-F309 VanDerWaalsContact SD-CE2 3.54Å; M261-F309 HydrophobicContact SD-CZ 3.49Å; M261-F309 WeakPolarHBondContact SD-CZ 3.32Å
262F85.4Confident82.4Confident29 Ų2984.7 Ų84.713%0.12747%0.473CS..  trans-115.2136.8-178.6-59.6-71.7000110.6T259 D260 C272 V290 W299 V301T259-F262 HydrophobicContact CG2-CD2 3.78Å; T259-F262 HydrophobicContact CG2-CE2 4.2Å; D260-F262 VanDerWaalsContact C-N 3.26Å; D260-F262 PolarHBondContact O-N 3.25Å; F262-C272 HydrophobicContact CB-CB 4.35Å; F262-C272 PolarHBondContact O-SG 3.47Å; F262-C272 VanDerWaalsContact O-SG 3.35Å; F262-V290 HydrophobicContact CB-CG1 3.92Å; F262-V290 HydrophobicContact CD1-CG2 4.22Å; F262-V290 HydrophobicContact CD2-CB 4.47Å; F262-V290 HydrophobicContact CD2-CG1 3.93Å; F262-V290 HydrophobicContact CD2-CG2 3.63Å; F262-V290 HydrophobicContact CE1-CG2 4.25Å; F262-V290 HydrophobicContact CE2-CG2 3.67Å; F262-V290 HydrophobicContact CG-CG1 4.02Å; F262-V290 HydrophobicContact CG-CG2 3.93Å; F262-V290 HydrophobicContact CZ-CG2 3.99Å; F262-W299 HydrophobicContact CB-CZ2 4.08Å; F262-V301 HydrophobicContact CD1-CG2 4.32Å; F262-V301 HydrophobicContact CE1-CG1 4.39Å; F262-V301 HydrophobicContact CE1-CG2 3.65Å; F262-V301 HydrophobicContact CZ-CG2 3.96Å
263I88.7Confident83.7Confident98 Ų9880 Ų8050%0.50344%0.44SS..  trans-104.9123.9178-58.6172.9000108S265 K270I263-S265 PolarHBondContact O-N 3.29Å; I263-K270 HydrophobicContact CG1-CG 4.11Å
264C89.6Confident84.8Confident0 Ų073.6 Ų73.60%041%0.411CS..  trans-62.1123.3174.6171.80000108.7K266 C267 H268 G269 C292 C295 W299C264-K266 PolarHBondContact O-N 3.16Å; C264-K266 VanDerWaalsContact O-N 3.15Å; C264-K266 VanDerWaalsContact SG-CB 3.56Å; C264-K266 PolarHBondContact SG-N 3.01Å; C264-C267 VanDerWaalsContact CB-SG 3.52Å; C264-C267 PolarHBondContact SG-N 3.2Å; C264-C267 VanDerWaalsContact SG-N 3.38Å; C264-C267 PolarHBondContact SG-SG 3.42Å; C264-H268 WeakPolarHBondContact O-CA 3.48Å; C264-H268 PolarHBondContact O-N 3.27Å; C264-G269 PolarHBondContact N-O 3.22Å; C264-C292 HydrophobicContact CB-CB 3.67Å; C264-C292 WeakPolarHBondContact CB-SG 3.28Å; C264-C295 WeakPolarHBondContact CB-SG 3.48Å; C264-C295 WeakPolarHBondContact SG-CB 3.38Å; C264-C295 CovalentContact SG-SG 2.12Å; C264-C295 PolarHBondContact SG-SG 2.88Å; C264-W299 HydrophobicContact CB-CH2 4.26Å; C264-W299 HydrophobicContact CB-CZ3 4.49Å
265S87.1Confident85.8Confident90 Ų9072 Ų7263%0.62940%0.401SS*.THydrogen-bonded Turntrans-65.2-15.1176.154.60000114I263I263-S265 PolarHBondContact O-N 3.29Å
266K87.1Confident86.5Confident164 Ų16472.9 Ų72.971%0.71339%0.387SS*.THydrogen-bonded Turntrans-98.5-36.9-174.7-152-178.3-172.9-1710113.7C264 C295C264-K266 PolarHBondContact O-N 3.16Å; C264-K266 VanDerWaalsContact O-N 3.15Å; C264-K266 VanDerWaalsContact SG-CB 3.56Å; C264-K266 PolarHBondContact SG-N 3.01Å; K266-C295 HydrophobicContact CB-CB 4.45Å
267C89.3Confident86.9Confident59 Ų5974.1 Ų74.140%0.39939%0.387SS..THydrogen-bonded Turntrans-119.8-2.1179.869.70000113.9C264 G269 C295C264-C267 VanDerWaalsContact CB-SG 3.52Å; C264-C267 PolarHBondContact SG-N 3.2Å; C264-C267 VanDerWaalsContact SG-N 3.38Å; C264-C267 PolarHBondContact SG-SG 3.42Å; C267-G269 PolarHBondContact O-N 2.9Å; C267-C295 HydrophobicContact CB-CB 3.81Å; C267-C295 VanDerWaalsContact SG-CB 3.55Å
268H87.3Confident86.9Confident146 Ų14676.9 Ų76.968%0.67640%0.395SS*.  trans57.29.6-176.3-60.3-84.6000115.6C264C264-H268 WeakPolarHBondContact O-CA 3.48Å; C264-H268 PolarHBondContact O-N 3.27Å
269G85.9Confident86.2Confident27 Ų2773.1 Ų73.128%0.27838%0.383SS..  trans-74.2149.2173.800000112.5C264 C267C264-G269 PolarHBondContact N-O 3.22Å; C267-G269 PolarHBondContact O-N 2.9Å
270K87.9Confident85.9Confident121 Ų12179.4 Ų79.453%0.52641%0.405SS..  trans-92.2-13.4177.3-68.2178.9-177.1178.70114.1D260 I263 C272D260-K270 HydrophobicContact CB-CB 4.23Å; I263-K270 HydrophobicContact CG1-CG 4.11Å; K270-C272 VanDerWaalsContact C-N 3.34Å; K270-C272 PolarHBondContact O-N 3.34Å
271N87.8Confident85.5Confident86 Ų8678.1 Ų78.146%0.4641%0.405SS..  trans-69.487.3179.2-173.3-1.5000111C292 N293N271-C292 PolarHBondContact O-SG 3.13Å; N271-N293 PolarHBondContact O-N 3.01Å; N271-N293 PolarHBondContact OD1-ND2 3.39Å
272C88.3Confident84.8Confident0 Ų077.4 Ų77.40%042%0.416CS..EExtended strand (participates in β ladder)trans-125.4147.5-179.5-58.70000110.8T259 F262 K270 V290 L291T259-C272 WeakPolarHBondContact CG2-O 3.39Å; T259-C272 PolarHBondContact N-O 3.17Å; T259-C272 PolarHBondContact O-N 2.98Å; F262-C272 HydrophobicContact CB-CB 4.35Å; F262-C272 PolarHBondContact O-SG 3.47Å; F262-C272 VanDerWaalsContact O-SG 3.35Å; K270-C272 VanDerWaalsContact C-N 3.34Å; K270-C272 PolarHBondContact O-N 3.34Å; C272-V290 HydrophobicContact CB-CG1 3.75Å; C272-L291 CarbonylContact C-O 3.57Å; C272-L291 VanDerWaalsContact CA-O 3.26Å; C272-L291 WeakPolarHBondContact CA-O 3.32Å
273T89.9Confident84.6Confident5 Ų583.5 Ų83.53%0.03145%0.449CS..EExtended strand (participates in β ladder)trans-107.9137.3170.242.50000109.2T257 E258 V290 L291 N293T257-T273 WeakPolarHBondContact O-CA 3.47Å; E258-T273 HydrophobicContact CG-CG2 3.84Å; T273-V290 CarbonylContact O-C 3.56Å; T273-V290 WeakPolarHBondContact O-CA 3.29Å; T273-L291 PolarHBondContact N-O 3.47Å; T273-L291 PolarHBondContact O-N 3.07Å; T273-L291 PolarHBondContact OG1-O 2.86Å; T273-N293 WeakPolarHBondContact CG2-ND2 3.41Å; T273-N293 PolarHBondContact OG1-OD1 3.47Å; T273-N293 VanDerWaalsContact OG1-OD1 3.08Å
274Y89.1Confident83.9Confident55 Ų5581.9 Ų81.922%0.21644%0.44CS..EExtended strand (participates in β ladder)trans-113.7149.7173.481-81.7000111.8T257 T259 Q276 T288 F289T257-Y274 PolarHBondContact N-O 3.23Å; T257-Y274 VanDerWaalsContact O-CD1 3.3Å; T257-Y274 WeakPolarHBondContact O-CD1 3.44Å; T257-Y274 PolarHBondContact O-N 3.35Å; T257-Y274 WeakPolarHBondContact OG1-CD1 3.21Å; T257-Y274 WeakPolarHBondContact OG1-CE1 3.46Å; T257-Y274 PolarHBondContact OG1-O 3.08Å; T257-Y274 VanDerWaalsContact OG1-O 3.14Å; T259-Y274 HydrophobicContact CG2-CD1 3.42Å; T259-Y274 VanDerWaalsContact CG2-CD1 3.42Å; T259-Y274 HydrophobicContact CG2-CE1 4.22Å; T259-Y274 HydrophobicContact CG2-CG 4.22Å; Y274-Q276 HydrophobicContact CD2-CG 4.15Å; Y274-Q276 HydrophobicContact CE2-CG 4.19Å; Y274-T288 HydrophobicContact CD2-CG2 3.97Å; Y274-T288 HydrophobicContact CG-CG2 4.43Å; Y274-F289 CarbonylContact C-O 3.47Å; Y274-F289 VanDerWaalsContact CA-O 3.26Å; Y274-F289 WeakPolarHBondContact CA-O 3.49Å
275T87.6Confident83.1Confident64 Ų6485.6 Ų85.639%0.39346%0.464SS..EExtended strand (participates in β ladder)trans-139.6127.5173.6-50.60000108.6V277 F289T275-V277 HydrophobicContact CG2-CG2 3.96Å; T275-F289 PolarHBondContact N-O 3.21Å; T275-F289 PolarHBondContact O-N 2.99Å
276Q84.6Confident82.8Confident89 Ų8986.5 Ų86.542%0.41646%0.459SS..EExtended strand (participates in β ladder)trans-95.1121.9176.6-70.3172.2-23.400108.9Y274 M286 T287 T288Y274-Q276 HydrophobicContact CD2-CG 4.15Å; Y274-Q276 HydrophobicContact CE2-CG 4.19Å; Q276-M286 HydrophobicContact CB-CG 4.43Å; Q276-M286 HydrophobicContact CB-SD 3.73Å; Q276-M286 HydrophobicContact CG-SD 3.9Å; Q276-M286 PolarHBondContact OE1-SD 3.16Å; Q276-T287 WeakPolarHBondContact CA-O 3.45Å; Q276-T288 HydrophobicContact CG-CG2 4.29Å
277V84.3Confident82.8Confident62 Ų6279.2 Ų79.238%0.37643%0.428SS..EExtended strand (participates in β ladder)trans-128.8132.5178.6-172.70000108.8T275 T279 T287 F289T275-V277 HydrophobicContact CG2-CG2 3.96Å; V277-T279 HydrophobicContact CB-CG2 4.25Å; V277-T279 HydrophobicContact CG1-CG2 3.88Å; V277-T279 PolarHBondContact O-N 3.25Å; V277-T287 PolarHBondContact N-O 3.04Å; V277-T287 WeakPolarHBondContact O-CB 3.36Å; V277-T287 PolarHBondContact O-N 2.98Å; V277-F289 HydrophobicContact CB-CD2 4.29Å; V277-F289 HydrophobicContact CB-CE2 4.12Å; V277-F289 HydrophobicContact CG2-CD2 4.23Å; V277-F289 HydrophobicContact CG2-CE2 4.47Å
278Q82.9Confident82.7Confident128 Ų12877.1 Ų77.160%0.59841%0.414SS*.  trans-82.192.2171.5-170.7173.719.100109
279T72.4Confident82.8Confident76 Ų7672.2 Ų72.247%0.46639%0.391SS..  trans-91.32.7-176.9460000114.2V277 F289V277-T279 HydrophobicContact CB-CG2 4.25Å; V277-T279 HydrophobicContact CG1-CG2 3.88Å; V277-T279 PolarHBondContact O-N 3.25Å; T279-F289 HydrophobicContact CG2-CE2 3.99Å; T279-F289 HydrophobicContact CG2-CZ 4.15Å
280R78Confident82.9Confident148 Ų14871 Ų7156%0.55838%0.378SS*.SBendtrans-143.3170.5-172.5-68-174.7170.6-151.2-3.3111E284R280-E284 HydrophobicContact CB-CB 4.17Å; R280-E284 VanDerWaalsContact CD-CD 3.41Å; R280-E284 WeakPolarHBondContact CD-OE1 3.47Å; R280-E284 WeakPolarHBondContact CD-OE2 3.39Å; R280-E284 IonicContact NE-OE2 2.94Å; R280-E284 IonicContact NH1-OE1 3.65Å; R280-E284 PolarHBondContact NH1-OE1 3.23Å; R280-E284 IonicContact NH1-OE2 3.59Å; R280-E284 PolarHBondContact NH1-OE2 3.04Å
281S76.8Confident83Confident91 Ų9167.7 Ų67.764%0.63637%0.366SS*.  trans-48.7159.5-178.9-46.40000113.3D283 E284S281-D283 PolarHBondContact O-N 3.27Å; S281-E284 PolarHBondContact O-N 3.03Å
282A70.4Confident83.1Confident88 Ų8863.7 Ų63.773%0.72734%0.344SS*.THydrogen-bonded Turntrans-53.7-25.3-176.200000114.5E284A282-E284 VanDerWaalsContact C-N 3.3Å; A282-E284 PolarHBondContact O-N 3.48Å
283D80.8Confident83Confident156 Ų15666.5 Ų66.583%0.83436%0.359SS*.THydrogen-bonded Turntrans-78.9-5.5-179-53.3-48.1000114.3S281S281-D283 PolarHBondContact O-N 3.27Å
284E73.9Confident82.8Confident65 Ų6569.4 Ų69.430%0.30439%0.39SS..SBendtrans-109.4130.1174.4-69.6-164.2-150.800112.5R280 S281 A282 R303R280-E284 HydrophobicContact CB-CB 4.17Å; R280-E284 VanDerWaalsContact CD-CD 3.41Å; R280-E284 WeakPolarHBondContact CD-OE1 3.47Å; R280-E284 WeakPolarHBondContact CD-OE2 3.39Å; R280-E284 IonicContact NE-OE2 2.94Å; R280-E284 IonicContact NH1-OE1 3.65Å; R280-E284 PolarHBondContact NH1-OE1 3.23Å; R280-E284 IonicContact NH1-OE2 3.59Å; R280-E284 PolarHBondContact NH1-OE2 3.04Å; S281-E284 PolarHBondContact O-N 3.03Å; A282-E284 VanDerWaalsContact C-N 3.3Å; A282-E284 PolarHBondContact O-N 3.48Å; E284-R303 IonicContact OE2-NH2 2.7Å
285P74.6Confident82.8Confident77 Ų7768.5 Ų68.550%0.539%0.392SS..PPolyproline II helixtrans-60.4153175.825.1-36.8000112.3
286M80.9Confident82.7Confident109 Ų10968 Ų6854%0.53740%0.399SS..PPolyproline II helixtrans-49.5142.3179.765.4178.875.100112.8Q276Q276-M286 HydrophobicContact CB-CG 4.43Å; Q276-M286 HydrophobicContact CB-SD 3.73Å; Q276-M286 HydrophobicContact CG-SD 3.9Å; Q276-M286 PolarHBondContact OE1-SD 3.16Å
287T85.9Confident82.9Confident11 Ų1166 Ų667%0.06739%0.392CS..EExtended strand (participates in β ladder)trans-94.7124.8177.7-71.60000110.3Q276 V277 F289 K300Q276-T287 WeakPolarHBondContact CA-O 3.45Å; V277-T287 PolarHBondContact N-O 3.04Å; V277-T287 WeakPolarHBondContact O-CB 3.36Å; V277-T287 PolarHBondContact O-N 2.98Å; T287-F289 HydrophobicContact CG2-CD2 4.05Å; T287-F289 HydrophobicContact CG2-CE1 4.37Å; T287-F289 HydrophobicContact CG2-CE2 3.58Å; T287-F289 HydrophobicContact CG2-CZ 3.77Å; T287-K300 HydrophobicContact CG2-CD 3.39Å; T287-K300 HydrophobicContact CG2-CG 3.62Å; T287-K300 VanDerWaalsContact CG2-NZ 3.3Å; T287-K300 PolarHBondContact OG1-NZ 3.26Å
288T87.2Confident83.1Confident15 Ų1571 Ų719%0.09240%0.404CS..EExtended strand (participates in β ladder)trans-85.7118.6171.8-49.60000110.9Y274 Q276 V290 V301Y274-T288 HydrophobicContact CD2-CG2 3.97Å; Y274-T288 HydrophobicContact CG-CG2 4.43Å; Q276-T288 HydrophobicContact CG-CG2 4.29Å; T288-V290 HydrophobicContact CG2-CG2 4.24Å; T288-V301 HydrophobicContact CG2-CG2 4.42Å; T288-V301 PolarHBondContact O-N 3.18Å
289F88.6Confident83.4Confident44 Ų4467.9 Ų67.919%0.19339%0.387CS..EExtended strand (participates in β ladder)trans-97.3135166.9-65.8-86.2000109.2Y274 T275 V277 T279 T287 K300Y274-F289 CarbonylContact C-O 3.47Å; Y274-F289 VanDerWaalsContact CA-O 3.26Å; Y274-F289 WeakPolarHBondContact CA-O 3.49Å; T275-F289 PolarHBondContact N-O 3.21Å; T275-F289 PolarHBondContact O-N 2.99Å; V277-F289 HydrophobicContact CB-CD2 4.29Å; V277-F289 HydrophobicContact CB-CE2 4.12Å; V277-F289 HydrophobicContact CG2-CD2 4.23Å; V277-F289 HydrophobicContact CG2-CE2 4.47Å; T279-F289 HydrophobicContact CG2-CE2 3.99Å; T279-F289 HydrophobicContact CG2-CZ 4.15Å; T287-F289 HydrophobicContact CG2-CD2 4.05Å; T287-F289 HydrophobicContact CG2-CE1 4.37Å; T287-F289 HydrophobicContact CG2-CE2 3.58Å; T287-F289 HydrophobicContact CG2-CZ 3.77Å; F289-K300 HydrophobicContact CD1-CB 4.45Å; F289-K300 HydrophobicContact CE1-CB 4.42Å
290V89.4Confident84.2Confident0 Ų068.7 Ų68.70%038%0.383CS..EExtended strand (participates in β ladder)trans-118.7133.2176.8-176.50000108.2F262 C272 T273 T288 R298 W299 V301F262-V290 HydrophobicContact CB-CG1 3.92Å; F262-V290 HydrophobicContact CD1-CG2 4.22Å; F262-V290 HydrophobicContact CD2-CB 4.47Å; F262-V290 HydrophobicContact CD2-CG1 3.93Å; F262-V290 HydrophobicContact CD2-CG2 3.63Å; F262-V290 HydrophobicContact CE1-CG2 4.25Å; F262-V290 HydrophobicContact CE2-CG2 3.67Å; F262-V290 HydrophobicContact CG-CG1 4.02Å; F262-V290 HydrophobicContact CG-CG2 3.93Å; F262-V290 HydrophobicContact CZ-CG2 3.99Å; C272-V290 HydrophobicContact CB-CG1 3.75Å; T273-V290 CarbonylContact O-C 3.56Å; T273-V290 WeakPolarHBondContact O-CA 3.29Å; T288-V290 HydrophobicContact CG2-CG2 4.24Å; V290-R298 CarbonylContact O-C 3.53Å; V290-R298 VanDerWaalsContact O-CA 3.27Å; V290-R298 WeakPolarHBondContact O-CA 3.31Å; V290-W299 HydrophobicContact CB-CD2 4.22Å; V290-W299 HydrophobicContact CB-CH2 4.43Å; V290-W299 HydrophobicContact CB-CZ2 3.97Å; V290-W299 HydrophobicContact CG1-CH2 3.71Å; V290-W299 HydrophobicContact CG1-CZ2 3.5Å; V290-W299 HydrophobicContact CG1-CZ3 4.32Å; V290-W299 PolarHBondContact N-O 3.32Å; V290-W299 PolarHBondContact O-N 3.06Å; V290-V301 HydrophobicContact CG2-CG2 3.64Å
291L89.7Confident84.4Confident52 Ų5262.6 Ų62.627%0.27236%0.363SS..EExtended strand (participates in β ladder)trans-118.3129.3173.7176.472.5000107.7V254 C272 T273 N297 R298V254-L291 HydrophobicContact CG1-CD2 4.29Å; C272-L291 CarbonylContact C-O 3.57Å; C272-L291 VanDerWaalsContact CA-O 3.26Å; C272-L291 WeakPolarHBondContact CA-O 3.32Å; T273-L291 PolarHBondContact N-O 3.47Å; T273-L291 PolarHBondContact O-N 3.07Å; T273-L291 PolarHBondContact OG1-O 2.86Å; L291-N297 CarbonylContact C-O 3.54Å; L291-N297 WeakPolarHBondContact CA-O 3.32Å; L291-R298 HydrophobicContact CD1-CB 3.9Å; L291-R298 HydrophobicContact CD1-CG 4.4Å
292C89.1Confident83.9Confident2 Ų268.6 Ų68.61%0.01437%0.371CS..EExtended strand (participates in β ladder)trans-87.7126.6171.1177.40000110.5C264 N271 G294 C295 G296 N297 W299C264-C292 HydrophobicContact CB-CB 3.67Å; C264-C292 WeakPolarHBondContact CB-SG 3.28Å; N271-C292 PolarHBondContact O-SG 3.13Å; C292-G294 VanDerWaalsContact C-N 3.3Å; C292-G294 PolarHBondContact O-N 2.98Å; C292-G294 PolarHBondContact SG-N 3.46Å; C292-C295 WeakPolarHBondContact CB-SG 3.36Å; C292-C295 PolarHBondContact SG-SG 3.39Å; C292-G296 VanDerWaalsContact O-CA 3.25Å; C292-G296 WeakPolarHBondContact O-CA 3.32Å; C292-G296 PolarHBondContact O-N 2.96Å; C292-N297 PolarHBondContact N-O 3.39Å; C292-W299 HydrophobicContact CB-CH2 4.19Å; C292-W299 HydrophobicContact CB-CZ3 3.92Å
293N86.9Confident83.2Confident59 Ų5970.9 Ų70.932%0.31636%0.361SS..THydrogen-bonded Turntrans-73.4-22.8-177-63.6-21.8000112.7N271 T273N271-N293 PolarHBondContact O-N 3.01Å; N271-N293 PolarHBondContact OD1-ND2 3.39Å; T273-N293 WeakPolarHBondContact CG2-ND2 3.41Å; T273-N293 PolarHBondContact OG1-OD1 3.47Å; T273-N293 VanDerWaalsContact OG1-OD1 3.08Å
294G85.6Confident81.6Confident66 Ų6675 Ų7568%0.6837%0.365SS*.THydrogen-bonded Turntrans-87.5-39.3179.300000114.5C292C292-G294 VanDerWaalsContact C-N 3.3Å; C292-G294 PolarHBondContact O-N 2.98Å; C292-G294 PolarHBondContact SG-N 3.46Å
295C88.5Confident80.2Confident36 Ų3681 Ų8124%0.24339%0.385CS..THydrogen-bonded Turntrans-105.4-9.8-174.967.10000113.2C264 K266 C267 C292 N297C264-C295 WeakPolarHBondContact CB-SG 3.48Å; C264-C295 WeakPolarHBondContact SG-CB 3.38Å; C264-C295 CovalentContact SG-SG 2.12Å; C264-C295 PolarHBondContact SG-SG 2.88Å; K266-C295 HydrophobicContact CB-CB 4.45Å; C267-C295 HydrophobicContact CB-CB 3.81Å; C267-C295 VanDerWaalsContact SG-CB 3.55Å; C292-C295 WeakPolarHBondContact CB-SG 3.36Å; C292-C295 PolarHBondContact SG-SG 3.39Å; C295-N297 PolarHBondContact O-N 3.4Å; C295-N297 VanDerWaalsContact O-N 3.15Å; C295-N297 WeakPolarHBondContact SG-CB 3.45Å
296G85.6Confident78.8Confident54 Ų5479.4 Ų79.456%0.55737%0.374SS*.  trans67.84-17400000114.6C292C292-G296 VanDerWaalsContact O-CA 3.25Å; C292-G296 WeakPolarHBondContact O-CA 3.32Å; C292-G296 PolarHBondContact O-N 2.96Å
297N89.1Confident76.8Confident48 Ų4881.6 Ų81.626%0.25738%0.38SS..  trans-70133.6-177.5-170.526.2000110.4L291 C292 C295 W299L291-N297 CarbonylContact C-O 3.54Å; L291-N297 WeakPolarHBondContact CA-O 3.32Å; C292-N297 PolarHBondContact N-O 3.39Å; C295-N297 PolarHBondContact O-N 3.4Å; C295-N297 VanDerWaalsContact O-N 3.15Å; C295-N297 WeakPolarHBondContact SG-CB 3.45Å; N297-W299 HydrophobicContact CB-CE3 4.35Å; N297-W299 HydrophobicContact CB-CZ3 4.24Å; N297-W299 WeakPolarHBondContact O-CZ3 3.32Å
298R88.5Confident74.6Confident165 Ų16585.4 Ų85.462%0.62341%0.408SS*.EExtended strand (participates in β ladder)trans-121.8129.1179-171.6179.3177.8-178.3-0.3110.3V290 L291V290-R298 CarbonylContact O-C 3.53Å; V290-R298 VanDerWaalsContact O-CA 3.27Å; V290-R298 WeakPolarHBondContact O-CA 3.31Å; L291-R298 HydrophobicContact CD1-CB 3.9Å; L291-R298 HydrophobicContact CD1-CG 4.4Å
299W89.3Confident72.5Confident64 Ų6487.1 Ų87.124%0.24241%0.414CS..EExtended strand (participates in β ladder)trans-142.7161.3178.867.298.1000112.7F262 C264 V290 C292 N297F262-W299 HydrophobicContact CB-CZ2 4.08Å; C264-W299 HydrophobicContact CB-CH2 4.26Å; C264-W299 HydrophobicContact CB-CZ3 4.49Å; V290-W299 HydrophobicContact CB-CD2 4.22Å; V290-W299 HydrophobicContact CB-CH2 4.43Å; V290-W299 HydrophobicContact CB-CZ2 3.97Å; V290-W299 HydrophobicContact CG1-CH2 3.71Å; V290-W299 HydrophobicContact CG1-CZ2 3.5Å; V290-W299 HydrophobicContact CG1-CZ3 4.32Å; V290-W299 PolarHBondContact N-O 3.32Å; V290-W299 PolarHBondContact O-N 3.06Å; C292-W299 HydrophobicContact CB-CH2 4.19Å; C292-W299 HydrophobicContact CB-CZ3 3.92Å; N297-W299 HydrophobicContact CB-CE3 4.35Å; N297-W299 HydrophobicContact CB-CZ3 4.24Å; N297-W299 WeakPolarHBondContact O-CZ3 3.32Å
300K88.9Confident70.4Confident92 Ų9289.4 Ų89.440%0.443%0.432SS..EExtended strand (participates in β ladder)trans-99.6132.3176.2172.2170.8171.4151.60109.8T287 F289 R302T287-K300 HydrophobicContact CG2-CD 3.39Å; T287-K300 HydrophobicContact CG2-CG 3.62Å; T287-K300 VanDerWaalsContact CG2-NZ 3.3Å; T287-K300 PolarHBondContact OG1-NZ 3.26Å; F289-K300 HydrophobicContact CD1-CB 4.45Å; F289-K300 HydrophobicContact CE1-CB 4.42Å; K300-R302 PolarHBondContact O-N 3.21Å
301V83.8Confident67.9Low20 Ų2096.4 Ų96.412%0.12147%0.468CS..PPolyproline II helixtrans-79.7118.8174.4-175.30000108.9F262 T288 V290 W305 V306F262-V301 HydrophobicContact CD1-CG2 4.32Å; F262-V301 HydrophobicContact CE1-CG1 4.39Å; F262-V301 HydrophobicContact CE1-CG2 3.65Å; F262-V301 HydrophobicContact CZ-CG2 3.96Å; T288-V301 HydrophobicContact CG2-CG2 4.42Å; T288-V301 PolarHBondContact O-N 3.18Å; V290-V301 HydrophobicContact CG2-CG2 3.64Å; V301-W305 HydrophobicContact CG1-CB 4.02Å; V301-V306 HydrophobicContact CG1-CG2 4.19Å
302R65.9Low65.6Low217 Ų217104.4 Ų104.482%0.81950%0.495SS*.PPolyproline II helixtrans-83.5147.9175.1-69.5-173.2176.9-167-0.1110.5K300 R304 W305K300-R302 PolarHBondContact O-N 3.21Å; R302-R304 PolarHBondContact O-N 3.49Å; R302-W305 PolarHBondContact O-N 3.01Å
303R55.1Low63.2Low137 Ų137111.6 Ų111.652%0.51753%0.526SS..G310 helixtrans-49.4-19.8-165.2-66.8-171.5-175.2-173.49.3117.4E284 W305 V306 F307E284-R303 IonicContact OE2-NH2 2.7Å; R303-W305 PolarHBondContact O-N 3.43Å; R303-V306 PolarHBondContact O-N 3.29Å; R303-F307 PolarHBondContact O-N 3.41Å
304R47.1Very low60.7Low242 Ų242112.1 Ų112.191%0.91354%0.539SS*.G310 helixtrans-64.9-22.4-179.1-161.4164.6174.2180-3.2113.7R302R302-R304 PolarHBondContact O-N 3.49Å
305W44.7Very low58.4Low192 Ų192114.3 Ų114.373%0.72754%0.541SS*.G310 helixtrans-98.6-10.3172.2-8677.2000114.1V301 R302 R303V301-W305 HydrophobicContact CG1-CB 4.02Å; R302-W305 PolarHBondContact O-N 3.01Å; R303-W305 PolarHBondContact O-N 3.43Å
306V45.8Very low56Low43 Ų43118.9 Ų118.926%0.26157%0.568SS.*THydrogen-bonded Turntrans-81.7-31.3-178.2-176.50000111.1V301 R303 S308 F309 T310V301-V306 HydrophobicContact CG1-CG2 4.19Å; R303-V306 PolarHBondContact O-N 3.29Å; V306-S308 PolarHBondContact O-N 3.31Å; V306-F309 WeakPolarHBondContact O-CA 3.42Å; V306-F309 WeakPolarHBondContact O-CB 3.04Å; V306-F309 PolarHBondContact O-N 3.21Å; V306-T310 PolarHBondContact O-N 3.22Å; V306-T310 VanDerWaalsContact O-N 3.09Å; V306-T310 PolarHBondContact O-OG1 3.3Å
307F38.5Very low53.7Low154 Ų154121.6 Ų121.668%0.67558%0.578SS**Hα-helixtrans-62.1-28.5177.8-103.8-86.7000113.8R303 F309 T310R303-F307 PolarHBondContact O-N 3.41Å; F307-F309 VanDerWaalsContact C-N 3.33Å; F307-T310 PolarHBondContact O-OG1 3.39Å
308S39.7Very low51.2Low92 Ų92124.8 Ų124.864%0.64361%0.605SS**Hα-helixtrans-79.8-18.4173.5-136.20000112.6V306V306-S308 PolarHBondContact O-N 3.31Å
309F44Very low48.7Very low50 Ų50126.9 Ų126.922%0.21964%0.635CS.*Hα-helixtrans-87.3-40-177.1-142.3-82.2000112.1M261 V306 F307 L311 R312 F313M261-F309 HydrophobicContact CE-CD2 3.91Å; M261-F309 HydrophobicContact CE-CE2 3.08Å; M261-F309 HydrophobicContact CE-CZ 3.51Å; M261-F309 HydrophobicContact SD-CE2 3.54Å; M261-F309 VanDerWaalsContact SD-CE2 3.54Å; M261-F309 HydrophobicContact SD-CZ 3.49Å; M261-F309 WeakPolarHBondContact SD-CZ 3.32Å; V306-F309 WeakPolarHBondContact O-CA 3.42Å; V306-F309 WeakPolarHBondContact O-CB 3.04Å; V306-F309 PolarHBondContact O-N 3.21Å; F307-F309 VanDerWaalsContact C-N 3.33Å; F309-L311 PolarHBondContact O-N 3.03Å; F309-R312 PolarHBondContact O-N 3.04Å; F309-F313 HydrophobicContact CD1-CD2 4.36Å; F309-F313 AromaticContact CE1-CD2 4Å; F309-F313 HydrophobicContact CE1-CD2 4Å; F309-F313 HydrophobicContact CE1-CE2 4.27Å; F309-F313 PolarHBondContact O-N 3.45Å
310T42.4Very low46.7Very low92 Ų92130 Ų13056%0.56466%0.655SS**Hα-helixtrans-64.2-25.8175.241.40000113V306 F307V306-T310 PolarHBondContact O-N 3.22Å; V306-T310 VanDerWaalsContact O-N 3.09Å; V306-T310 PolarHBondContact O-OG1 3.3Å; F307-T310 PolarHBondContact O-OG1 3.39Å
311L37.4Very low44.5Very low147 Ų147132 Ų13277%0.7767%0.668SS**THydrogen-bonded Turntrans-80.8-14.2176.4-100.6139.7000114.2F309F309-L311 PolarHBondContact O-N 3.03Å
312R41.9Very low42.3Very low220 Ų220138.2 Ų138.283%0.8370%0.699SS**THydrogen-bonded Turntrans-104.2-11.7179.8-100.6-179-175.7-157.40.7115.1F309F309-R312 PolarHBondContact O-N 3.04Å
313F38.8Very low40.9Very low153 Ų153133.6 Ų133.667%0.67169%0.691SS**  trans-124.930.7179.3-90.3-84.7000112.1F309 P315F309-F313 HydrophobicContact CD1-CD2 4.36Å; F309-F313 AromaticContact CE1-CD2 4Å; F309-F313 HydrophobicContact CE1-CD2 4Å; F309-F313 HydrophobicContact CE1-CE2 4.27Å; F309-F313 PolarHBondContact O-N 3.45Å; F313-P315 VanDerWaalsContact O-CD 3.3Å; F313-P315 WeakPolarHBondContact O-CD 3.39Å
314A34.5Very low40.1Very low70 Ų70133.4 Ų133.458%0.57970%0.702SS**  trans-67.2119.1157.300000106.9T316A314-T316 PolarHBondContact O-N 2.87Å; A314-T316 VanDerWaalsContact O-N 3.11Å
315P37.2Very low39.6Very low113 Ų113126.1 Ų126.173%0.73469%0.688SS**  trans-60.6120.5165.626.2-29.3000105.8F313 S317F313-P315 VanDerWaalsContact O-CD 3.3Å; F313-P315 WeakPolarHBondContact O-CD 3.39Å; P315-S317 PolarHBondContact O-N 3.39Å
316T37.7Very low39.2Very low132 Ų132121.4 Ų121.481%0.8169%0.686SS**  trans-60.793.116444.30000106.7A314 S318A314-T316 PolarHBondContact O-N 2.87Å; A314-T316 VanDerWaalsContact O-N 3.11Å; T316-S318 PolarHBondContact O-N 2.85Å
317S37.7Very low38.7Very low110 Ų110127.5 Ų127.577%0.76972%0.718SS**  trans-64.394.4161.1-77.10000106.6P315 V319P315-S317 PolarHBondContact O-N 3.39Å; S317-V319 PolarHBondContact O-N 3.32Å
318S36.4Very low38.7Very low116 Ų116125.3 Ų125.381%0.81172%0.722SS**  trans-64.7110.8158.6-73.30000107.5T316T316-S318 PolarHBondContact O-N 2.85Å
319V37.1Very low38.7Very low208 Ų208128.3 Ų128.3100%1.26173%0.729SS**  trans-87.30149.1178.20000106.9S317S317-V319 PolarHBondContact O-N 3.32Å

Retrieved 319 of 319 residues in 223.8 ms (Link to these results)