A0A087XGW7_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 A0A087XGW7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 311 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
1M44.5Very low71.8Confident225 Ų225111.2 Ų111.2100%1.10852%0.517SS*.  0-11.10-76.7171.3170.800113.7K3M1-K3 PolarHBondContact O-N 3.49Å
2G56.6Low72.9Confident26 Ų26102.3 Ų102.327%0.26848%0.476SS..THydrogen-bonded Turntrans-62.7-28.5-165.300000120.1K4 E5 E6G2-K4 VanDerWaalsContact C-N 3.26Å; G2-K4 PolarHBondContact O-N 2.78Å; G2-E5 WeakPolarHBondContact O-CB 3.48Å; G2-E5 PolarHBondContact O-N 3.25Å; G2-E6 WeakPolarHBondContact O-CG 3.43Å; G2-E6 PolarHBondContact O-N 2.77Å
3K62.8Low73.8Confident164 Ų16494.8 Ų94.871%0.71344%0.442SS*.Hα-helixtrans-57.1-32.4-171.9-72.1-169.6175.4-174.40115.2M1 E7M1-K3 PolarHBondContact O-N 3.49Å; K3-E7 WeakPolarHBondContact O-CG 3.5Å; K3-E7 PolarHBondContact O-N 2.86Å; K3-E7 VanDerWaalsContact O-N 3.14Å
4K70.1Confident74.6Confident161 Ų16198.4 Ų98.470%0.746%0.456SS*.Hα-helixtrans-72.2-40.4177-70.4-172.6176.1-175.60112G2 E7 E8G2-K4 VanDerWaalsContact C-N 3.26Å; G2-K4 PolarHBondContact O-N 2.78Å; K4-E7 PolarHBondContact O-N 3.48Å; K4-E8 WeakPolarHBondContact O-CG 3.34Å; K4-E8 PolarHBondContact O-N 2.98Å
5E71.9Confident75.3Confident91 Ų9198.2 Ų98.243%0.42545%0.453SS..Hα-helixtrans-67.7-39.6179-60.5164.6157.900110.3G2 E8 I9G2-E5 WeakPolarHBondContact O-CB 3.48Å; G2-E5 PolarHBondContact O-N 3.25Å; E5-E8 PolarHBondContact O-N 3.1Å; E5-I9 VanDerWaalsContact O-CG1 3.31Å; E5-I9 WeakPolarHBondContact O-CG1 3.39Å; E5-I9 PolarHBondContact O-N 3.32Å
6E74.5Confident75.8Confident86 Ų8692.1 Ų92.140%0.40243%0.425SS..Hα-helixtrans-59.4-48.7171.7-68.6161.5-156.400112G2 E8 I9 I10 L44G2-E6 WeakPolarHBondContact O-CG 3.43Å; G2-E6 PolarHBondContact O-N 2.77Å; E6-E8 VanDerWaalsContact C-N 3.34Å; E6-E8 PolarHBondContact O-N 3.3Å; E6-I9 PolarHBondContact O-N 2.88Å; E6-I10 WeakPolarHBondContact O-CD1 3.36Å; E6-I10 VanDerWaalsContact O-CG1 3.27Å; E6-I10 WeakPolarHBondContact O-CG1 3.42Å; E6-I10 PolarHBondContact O-N 3.02Å; E6-L44 HydrophobicContact CB-CD2 4.23Å; E6-L44 HydrophobicContact CG-CD1 3.99Å; E6-L44 HydrophobicContact CG-CD2 4.12Å
7E79.7Confident76.4Confident134 Ų13490.5 Ų90.563%0.62642%0.421SS*.Hα-helixtrans-63.1-37.9176.9-77.4178.8-177.100112.5K3 K4 I10 R11K3-E7 WeakPolarHBondContact O-CG 3.5Å; K3-E7 PolarHBondContact O-N 2.86Å; K3-E7 VanDerWaalsContact O-N 3.14Å; K4-E7 PolarHBondContact O-N 3.48Å; E7-I10 PolarHBondContact O-N 3.02Å; E7-R11 WeakPolarHBondContact O-CB 3.32Å; E7-R11 PolarHBondContact O-N 2.96Å
8E80.7Confident77Confident100 Ų10092.7 Ų92.747%0.46743%0.428SS..Hα-helixtrans-66.6-44.9175.2-76.4177.9164.100112.1K4 E5 E6 I10 R11 I12K4-E8 WeakPolarHBondContact O-CG 3.34Å; K4-E8 PolarHBondContact O-N 2.98Å; E5-E8 PolarHBondContact O-N 3.1Å; E6-E8 VanDerWaalsContact C-N 3.34Å; E6-E8 PolarHBondContact O-N 3.3Å; E8-I10 VanDerWaalsContact C-N 3.34Å; E8-I10 PolarHBondContact O-N 3.41Å; E8-R11 WeakPolarHBondContact O-CB 3.33Å; E8-R11 PolarHBondContact O-N 3.46Å; E8-R11 VanDerWaalsContact O-N 3.1Å; E8-I12 VanDerWaalsContact O-CG1 3.31Å; E8-I12 WeakPolarHBondContact O-CG1 3.28Å; E8-I12 PolarHBondContact O-N 3.01Å
9I81.1Confident77.2Confident3 Ų389.1 Ų89.12%0.01541%0.412CS..Hα-helixtrans-59.1-44.6173.9-70.3163.1000110.9E5 E6 R11 I12 A13 V38 M40 L44 T48E5-I9 VanDerWaalsContact O-CG1 3.31Å; E5-I9 WeakPolarHBondContact O-CG1 3.39Å; E5-I9 PolarHBondContact O-N 3.32Å; E6-I9 PolarHBondContact O-N 2.88Å; I9-R11 VanDerWaalsContact C-N 3.29Å; I9-R11 PolarHBondContact O-N 2.91Å; I9-I12 PolarHBondContact O-N 3.37Å; I9-A13 WeakPolarHBondContact O-CB 3.49Å; I9-A13 PolarHBondContact O-N 3.17Å; I9-V38 HydrophobicContact CD1-CG1 3.66Å; I9-V38 HydrophobicContact CG1-CG1 3.97Å; I9-M40 HydrophobicContact CD1-SD 4.33Å; I9-M40 HydrophobicContact CG2-CE 4.01Å; I9-M40 HydrophobicContact CG2-SD 4.09Å; I9-L44 HydrophobicContact CD1-CD1 3.66Å; I9-T48 HydrophobicContact CG2-CG2 4.28Å
10I83.1Confident77.5Confident64 Ų6485.5 Ų85.533%0.32840%0.399SS..Hα-helixtrans-62.4-37.9176.3-68.3163.5000111.1E6 E7 E8 K14 T48E6-I10 WeakPolarHBondContact O-CD1 3.36Å; E6-I10 VanDerWaalsContact O-CG1 3.27Å; E6-I10 WeakPolarHBondContact O-CG1 3.42Å; E6-I10 PolarHBondContact O-N 3.02Å; E7-I10 PolarHBondContact O-N 3.02Å; E8-I10 VanDerWaalsContact C-N 3.34Å; E8-I10 PolarHBondContact O-N 3.41Å; I10-K14 HydrophobicContact CG2-CD 4.21Å; I10-K14 WeakPolarHBondContact O-CG 3.39Å; I10-K14 PolarHBondContact O-N 3.4Å; I10-K14 VanDerWaalsContact O-N 3.08Å; I10-T48 HydrophobicContact CG1-CG2 3.86Å
11R85.4Confident77.8Confident169 Ų16989.2 Ų89.264%0.63842%0.416SS*.Hα-helixtrans-68.2-42.3177.5-165.9-177.6-164.4-167.87.4111.9E7 E8 I9 K15E7-R11 WeakPolarHBondContact O-CB 3.32Å; E7-R11 PolarHBondContact O-N 2.96Å; E8-R11 WeakPolarHBondContact O-CB 3.33Å; E8-R11 PolarHBondContact O-N 3.46Å; E8-R11 VanDerWaalsContact O-N 3.1Å; I9-R11 VanDerWaalsContact C-N 3.29Å; I9-R11 PolarHBondContact O-N 2.91Å; R11-K15 WeakPolarHBondContact O-CG 3.43Å; R11-K15 PolarHBondContact O-N 3.43Å; R11-K15 VanDerWaalsContact O-N 3.13Å
12I84.9Confident79.6Confident5 Ų585.7 Ų85.73%0.02640%0.395CS..Hα-helixtrans-65.6-45.5175.7-65.3161.4000110E8 I9 K14 K15 M16 L31 E34 L35E8-I12 VanDerWaalsContact O-CG1 3.31Å; E8-I12 WeakPolarHBondContact O-CG1 3.28Å; E8-I12 PolarHBondContact O-N 3.01Å; I9-I12 PolarHBondContact O-N 3.37Å; I12-K14 PolarHBondContact O-N 3.22Å; I12-K15 WeakPolarHBondContact O-CB 3.32Å; I12-K15 PolarHBondContact O-N 2.81Å; I12-K15 VanDerWaalsContact O-N 3.08Å; I12-M16 HydrophobicContact CG2-CG 4.24Å; I12-M16 HydrophobicContact CG2-SD 3.8Å; I12-M16 WeakPolarHBondContact O-CG 3.43Å; I12-M16 PolarHBondContact O-N 3.26Å; I12-L31 HydrophobicContact CB-CD2 4.47Å; I12-L31 HydrophobicContact CG1-CD2 4.18Å; I12-L31 HydrophobicContact CG2-CB 4.38Å; I12-L31 HydrophobicContact CG2-CD2 3.94Å; I12-E34 HydrophobicContact CD1-CB 4.32Å; I12-E34 HydrophobicContact CD1-CG 3.73Å; I12-L35 HydrophobicContact CG2-CD1 3.98Å; I12-L35 HydrophobicContact CG2-CD2 4.14Å; I12-L35 HydrophobicContact CG2-CG 3.77Å
13A83.6Confident80.5Confident4 Ų493 Ų933%0.03342%0.419CS..Hα-helixtrans-57.9-46.9177.800000112.4I9 K15 M16 D17 T48 I50I9-A13 WeakPolarHBondContact O-CB 3.49Å; I9-A13 PolarHBondContact O-N 3.17Å; A13-K15 VanDerWaalsContact C-N 3.32Å; A13-K15 PolarHBondContact O-N 2.91Å; A13-M16 PolarHBondContact O-N 3.15Å; A13-M16 VanDerWaalsContact O-N 3.13Å; A13-D17 PolarHBondContact O-N 3.37Å; A13-T48 HydrophobicContact CB-CG2 4.46Å; A13-I50 HydrophobicContact CB-CB 4.29Å; A13-I50 HydrophobicContact CB-CD1 3.87Å; A13-I50 HydrophobicContact CB-CG1 4.37Å
14K86Confident81.1Confident146 Ų14689.3 Ų89.364%0.63541%0.407SS*.Hα-helixtrans-61-36.2174.8-73.7172.2-179.5173.90113.2I10 I12 K18I10-K14 HydrophobicContact CG2-CD 4.21Å; I10-K14 WeakPolarHBondContact O-CG 3.39Å; I10-K14 PolarHBondContact O-N 3.4Å; I10-K14 VanDerWaalsContact O-N 3.08Å; I12-K14 PolarHBondContact O-N 3.22Å; K14-K18 WeakPolarHBondContact O-CB 3.5Å; K14-K18 PolarHBondContact O-N 2.98Å
15K85.2Confident80.9Confident95 Ų9583 Ų8341%0.41339%0.388SS..Hα-helixtrans-66.3-44.1172.8-73.7174.4179.1177.50111.1R11 I12 A13 K18 M19 L31R11-K15 WeakPolarHBondContact O-CG 3.43Å; R11-K15 PolarHBondContact O-N 3.43Å; R11-K15 VanDerWaalsContact O-N 3.13Å; I12-K15 WeakPolarHBondContact O-CB 3.32Å; I12-K15 PolarHBondContact O-N 2.81Å; I12-K15 VanDerWaalsContact O-N 3.08Å; A13-K15 VanDerWaalsContact C-N 3.32Å; A13-K15 PolarHBondContact O-N 2.91Å; K15-K18 WeakPolarHBondContact O-CB 3.43Å; K15-K18 PolarHBondContact O-N 3.42Å; K15-M19 WeakPolarHBondContact O-CG 3.44Å; K15-M19 PolarHBondContact O-N 2.77Å; K15-L31 HydrophobicContact CB-CD1 4.16Å; K15-L31 HydrophobicContact CD-CD1 4.34Å; K15-L31 HydrophobicContact CD-CD2 3.93Å
16M83.3Confident81Confident0 Ų082.1 Ų82.10%040%0.396CS..Hα-helixtrans-69.9-39.1-177.6-69.1-175.277.300113.2I12 A13 K18 M19 A20 L31 L32 L35 I50 V54 I57I12-M16 HydrophobicContact CG2-CG 4.24Å; I12-M16 HydrophobicContact CG2-SD 3.8Å; I12-M16 WeakPolarHBondContact O-CG 3.43Å; I12-M16 PolarHBondContact O-N 3.26Å; A13-M16 PolarHBondContact O-N 3.15Å; A13-M16 VanDerWaalsContact O-N 3.13Å; M16-K18 VanDerWaalsContact C-N 3.3Å; M16-K18 PolarHBondContact O-N 2.92Å; M16-M19 HydrophobicContact CB-CE 4.31Å; M16-M19 HydrophobicContact CG-CE 3.74Å; M16-M19 PolarHBondContact O-N 3.11Å; M16-A20 WeakPolarHBondContact O-CB 3.33Å; M16-A20 PolarHBondContact O-N 3.37Å; M16-L31 HydrophobicContact CG-CB 4.21Å; M16-L31 HydrophobicContact CG-CD1 4.41Å; M16-L31 HydrophobicContact SD-CB 4.15Å; M16-L32 HydrophobicContact CE-CD2 3.75Å; M16-L32 HydrophobicContact CE-CG 4.06Å; M16-L35 HydrophobicContact CE-CD1 4.06Å; M16-L35 HydrophobicContact SD-CD1 3.29Å; M16-L35 WeakPolarHBondContact SD-CD1 3.36Å; M16-L35 HydrophobicContact SD-CG 4.43Å; M16-I50 HydrophobicContact CB-CD1 4.14Å; M16-I50 HydrophobicContact SD-CD1 3.93Å; M16-V54 HydrophobicContact CE-CG2 3.68Å; M16-V54 HydrophobicContact SD-CG2 4.45Å; M16-I57 HydrophobicContact CB-CD1 3.9Å; M16-I57 HydrophobicContact CE-CD1 3.52Å; M16-I57 HydrophobicContact CG-CD1 4.17Å
17D85.8Confident81.1Confident66 Ų6679.7 Ų79.735%0.35339%0.394SS..Hα-helixtrans-58.7-43.1169.4-85.2-21.2000111.5A13 M19 A20 Q21 S53A13-D17 PolarHBondContact O-N 3.37Å; D17-M19 VanDerWaalsContact C-N 3.33Å; D17-M19 PolarHBondContact O-N 3.38Å; D17-A20 PolarHBondContact O-N 2.86Å; D17-Q21 WeakPolarHBondContact O-CB 3.48Å; D17-Q21 WeakPolarHBondContact O-CG 3.35Å; D17-Q21 PolarHBondContact O-N 3.43Å; D17-S53 WeakPolarHBondContact OD1-CB 3.35Å; D17-S53 PolarHBondContact OD1-OG 2.77Å
18K86.1Confident81.1Confident129 Ų12973.3 Ų73.356%0.56136%0.364SS*.Hα-helixtrans-65.6-33.7178.1-166.8172.1-176.2174.90112.5K14 K15 M16 K22K14-K18 WeakPolarHBondContact O-CB 3.5Å; K14-K18 PolarHBondContact O-N 2.98Å; K15-K18 WeakPolarHBondContact O-CB 3.43Å; K15-K18 PolarHBondContact O-N 3.42Å; M16-K18 VanDerWaalsContact C-N 3.3Å; M16-K18 PolarHBondContact O-N 2.92Å; K18-K22 WeakPolarHBondContact O-CB 3.38Å; K18-K22 VanDerWaalsContact O-CG 3.31Å; K18-K22 WeakPolarHBondContact O-CG 3.47Å; K18-K22 PolarHBondContact O-N 3.34Å; K18-K22 VanDerWaalsContact O-N 3.14Å
19M82.1Confident81.2Confident24 Ų2470.2 Ų70.212%0.11835%0.351CS..Hα-helixtrans-73-39.4172.8-71.1-171.5-54.500112.6K15 M16 D17 K22 K23 N24 A28 L31 I57 Q60K15-M19 WeakPolarHBondContact O-CG 3.44Å; K15-M19 PolarHBondContact O-N 2.77Å; M16-M19 HydrophobicContact CB-CE 4.31Å; M16-M19 HydrophobicContact CG-CE 3.74Å; M16-M19 PolarHBondContact O-N 3.11Å; D17-M19 VanDerWaalsContact C-N 3.33Å; D17-M19 PolarHBondContact O-N 3.38Å; M19-K22 PolarHBondContact O-N 3.43Å; M19-K23 PolarHBondContact O-N 2.92Å; M19-K23 VanDerWaalsContact O-N 3.07Å; M19-N24 PolarHBondContact O-N 3.02Å; M19-A28 HydrophobicContact CE-CB 4.25Å; M19-L31 HydrophobicContact CE-CB 4.48Å; M19-L31 HydrophobicContact CE-CD1 3.32Å; M19-L31 HydrophobicContact CE-CG 4.5Å; M19-L31 HydrophobicContact SD-CD1 3.95Å; M19-I57 HydrophobicContact CE-CD1 4.08Å; M19-Q60 PolarHBondContact O-NE2 3.38Å
20A83.6Confident81.4Confident17 Ų1774.7 Ų74.714%0.1438%0.375CS..Hα-helixtrans-62.2-45.4174.300000111.6M16 D17 K22 K23 A56 I57 Q60M16-A20 WeakPolarHBondContact O-CB 3.33Å; M16-A20 PolarHBondContact O-N 3.37Å; D17-A20 PolarHBondContact O-N 2.86Å; A20-K22 PolarHBondContact O-N 2.98Å; A20-K23 PolarHBondContact O-N 3.46Å; A20-A56 HydrophobicContact CB-CB 3.91Å; A20-I57 HydrophobicContact CB-CG1 4.35Å; A20-Q60 PolarHBondContact O-OE1 3.44Å; A20-Q60 VanDerWaalsContact O-OE1 3.11Å
21Q83.4Confident81.5Confident164 Ų16472.5 Ų72.577%0.76636%0.364SS*.Hα-helixtrans-64.6-39.7176.1-73.3178.6-6.500112.9D17 K23D17-Q21 WeakPolarHBondContact O-CB 3.48Å; D17-Q21 WeakPolarHBondContact O-CG 3.35Å; D17-Q21 PolarHBondContact O-N 3.43Å; Q21-K23 VanDerWaalsContact C-N 3.32Å; Q21-K23 PolarHBondContact O-N 3.16Å
22K81.3Confident81.5Confident152 Ų15264.4 Ų64.466%0.66133%0.333SS*.THydrogen-bonded Turntrans-840.2-178.7-70.1-170.7172.5-151.60114.6K18 M19 A20 N24K18-K22 WeakPolarHBondContact O-CB 3.38Å; K18-K22 VanDerWaalsContact O-CG 3.31Å; K18-K22 WeakPolarHBondContact O-CG 3.47Å; K18-K22 PolarHBondContact O-N 3.34Å; K18-K22 VanDerWaalsContact O-N 3.14Å; M19-K22 PolarHBondContact O-N 3.43Å; A20-K22 PolarHBondContact O-N 2.98Å; K22-N24 PolarHBondContact O-N 3.11Å; K22-N24 VanDerWaalsContact O-N 3.08Å
23K76.6Confident81.5Confident178 Ų17869.5 Ų69.577%0.77436%0.355SS*.THydrogen-bonded Turntrans49.728.3-173.1-59-176.2-179.7179.70113.9M19 A20 Q21M19-K23 PolarHBondContact O-N 2.92Å; M19-K23 VanDerWaalsContact O-N 3.07Å; A20-K23 PolarHBondContact O-N 3.46Å; Q21-K23 VanDerWaalsContact C-N 3.32Å; Q21-K23 PolarHBondContact O-N 3.16Å
24N74.3Confident81.5Confident87 Ų8773 Ų7347%0.46537%0.371SS..  trans-97.5121.6179.7-171-1.1000109.2M19 K22 A26M19-N24 PolarHBondContact O-N 3.02Å; K22-N24 PolarHBondContact O-N 3.11Å; K22-N24 VanDerWaalsContact O-N 3.08Å; N24-A26 WeakPolarHBondContact OD1-CB 3.44Å; N24-A26 PolarHBondContact OD1-N 3.5Å
25G65.6Low81.4Confident29 Ų2966.3 Ų66.330%0.29934%0.342SS..  trans-88.5-14.6177.600000114.5G27 A28G25-G27 PolarHBondContact O-N 3.34Å; G25-A28 WeakPolarHBondContact O-CB 3.3Å; G25-A28 PolarHBondContact O-N 3.21Å
26A74.1Confident81.2Confident72 Ų7270 Ų7060%0.59535%0.353SS*.THydrogen-bonded Turntrans-63.5122-176.800000111.3N24 A28N24-A26 WeakPolarHBondContact OD1-CB 3.44Å; N24-A26 PolarHBondContact OD1-N 3.5Å; A26-A28 VanDerWaalsContact C-N 3.34Å
27G77.1Confident80.9Confident35 Ų3574.4 Ų74.436%0.36138%0.384SS..THydrogen-bonded Turntrans820.7-17600000115.4G25 L29 D30 L31G25-G27 PolarHBondContact O-N 3.34Å; G27-L29 VanDerWaalsContact C-N 3.27Å; G27-L29 PolarHBondContact O-N 3.38Å; G27-D30 PolarHBondContact O-N 2.95Å; G27-L31 PolarHBondContact O-N 3.38Å
28A80.4Confident80.5Confident0 Ų072.8 Ų72.80%038%0.377CS..Hα-helixtrans-64.9-33.2175.400000112.6M19 G25 A26 L32 I57 V66M19-A28 HydrophobicContact CE-CB 4.25Å; G25-A28 WeakPolarHBondContact O-CB 3.3Å; G25-A28 PolarHBondContact O-N 3.21Å; A26-A28 VanDerWaalsContact C-N 3.34Å; A28-L32 WeakPolarHBondContact O-CB 3.43Å; A28-L32 WeakPolarHBondContact O-CD1 3.49Å; A28-L32 VanDerWaalsContact O-CG 3.24Å; A28-L32 WeakPolarHBondContact O-CG 3.3Å; A28-L32 PolarHBondContact O-N 3.35Å; A28-L32 VanDerWaalsContact O-N 3.08Å; A28-I57 HydrophobicContact CB-CG2 3.96Å; A28-V66 HydrophobicContact CB-CG1 4.41Å
29L82.9Confident79.6Confident35 Ų3571.4 Ų71.418%0.18338%0.381CS..Hα-helixtrans-65.1-42.9179.9-164.7154.3000111.9G27 L32 K33 E65 V66G27-L29 VanDerWaalsContact C-N 3.27Å; G27-L29 PolarHBondContact O-N 3.38Å; L29-L32 PolarHBondContact O-N 2.84Å; L29-K33 HydrophobicContact CD2-CD 3.81Å; L29-K33 HydrophobicContact CD2-CG 4.4Å; L29-K33 PolarHBondContact O-N 3.17Å; L29-E65 HydrophobicContact CD1-CB 4.08Å; L29-V66 HydrophobicContact CB-CG2 3.85Å; L29-V66 HydrophobicContact CD1-CG2 4.06Å; L29-V66 HydrophobicContact CG-CG2 4.16Å
30D85.3Confident79Confident98 Ų9871.2 Ų71.252%0.52438%0.38SS..Hα-helixtrans-70.2-41.5-179.3-56.6-45.5000111.6G27 L32 K33 E34G27-D30 PolarHBondContact O-N 2.95Å; D30-L32 VanDerWaalsContact C-N 3.28Å; D30-L32 PolarHBondContact O-N 3.47Å; D30-K33 WeakPolarHBondContact O-CB 3.4Å; D30-K33 PolarHBondContact O-N 3.02Å; D30-K33 VanDerWaalsContact O-N 3.08Å; D30-E34 WeakPolarHBondContact O-CB 3.33Å; D30-E34 PolarHBondContact O-N 2.92Å
31L84.2Confident78.6Confident17 Ų1773.8 Ų73.89%0.08939%0.394CS..Hα-helixtrans-66.8-28.5175.8-70.8162.3000112.4I12 K15 M16 M19 G27 E34 L35I12-L31 HydrophobicContact CB-CD2 4.47Å; I12-L31 HydrophobicContact CG1-CD2 4.18Å; I12-L31 HydrophobicContact CG2-CB 4.38Å; I12-L31 HydrophobicContact CG2-CD2 3.94Å; K15-L31 HydrophobicContact CB-CD1 4.16Å; K15-L31 HydrophobicContact CD-CD1 4.34Å; K15-L31 HydrophobicContact CD-CD2 3.93Å; M16-L31 HydrophobicContact CG-CB 4.21Å; M16-L31 HydrophobicContact CG-CD1 4.41Å; M16-L31 HydrophobicContact SD-CB 4.15Å; M19-L31 HydrophobicContact CE-CB 4.48Å; M19-L31 HydrophobicContact CE-CD1 3.32Å; M19-L31 HydrophobicContact CE-CG 4.5Å; M19-L31 HydrophobicContact SD-CD1 3.95Å; G27-L31 PolarHBondContact O-N 3.38Å; L31-E34 WeakPolarHBondContact CD2-OE2 3.44Å; L31-L35 WeakPolarHBondContact O-CB 3.3Å; L31-L35 WeakPolarHBondContact O-CG 3.37Å; L31-L35 PolarHBondContact O-N 2.85Å
32L84.9Confident78.3Confident0 Ų069.6 Ų69.60%038%0.376CS..Hα-helixtrans-73.3-32.3169.8-72.4167.3000112.8M16 A28 L29 D30 R36 V54 V66 L69 A70 L73M16-L32 HydrophobicContact CE-CD2 3.75Å; M16-L32 HydrophobicContact CE-CG 4.06Å; A28-L32 WeakPolarHBondContact O-CB 3.43Å; A28-L32 WeakPolarHBondContact O-CD1 3.49Å; A28-L32 VanDerWaalsContact O-CG 3.24Å; A28-L32 WeakPolarHBondContact O-CG 3.3Å; A28-L32 PolarHBondContact O-N 3.35Å; A28-L32 VanDerWaalsContact O-N 3.08Å; L29-L32 PolarHBondContact O-N 2.84Å; D30-L32 VanDerWaalsContact C-N 3.28Å; D30-L32 PolarHBondContact O-N 3.47Å; L32-R36 PolarHBondContact O-N 3.28Å; L32-V54 HydrophobicContact CD2-CG1 3.96Å; L32-V54 HydrophobicContact CD2-CG2 4.21Å; L32-V66 HydrophobicContact CD1-CB 4.42Å; L32-V66 HydrophobicContact CD1-CG1 3.68Å; L32-L69 HydrophobicContact CB-CB 4.49Å; L32-A70 HydrophobicContact CD1-CB 4.23Å; L32-A70 HydrophobicContact CD2-CB 4.18Å; L32-L73 HydrophobicContact CB-CD1 4.43Å; L32-L73 HydrophobicContact CD2-CD1 3.74Å
33K85Confident77.8Confident111 Ų11169.7 Ų69.748%0.48338%0.379SS..Hα-helixtrans-68.6-44.3171.6-74.5172.3175.2164.60111L29 D30 L35 R36 S37 L69L29-K33 HydrophobicContact CD2-CD 3.81Å; L29-K33 HydrophobicContact CD2-CG 4.4Å; L29-K33 PolarHBondContact O-N 3.17Å; D30-K33 WeakPolarHBondContact O-CB 3.4Å; D30-K33 PolarHBondContact O-N 3.02Å; D30-K33 VanDerWaalsContact O-N 3.08Å; K33-L35 PolarHBondContact O-N 2.73Å; K33-R36 WeakPolarHBondContact O-CB 3.42Å; K33-R36 PolarHBondContact O-N 2.73Å; K33-S37 PolarHBondContact O-N 2.77Å; K33-S37 PolarHBondContact O-OG 2.86Å; K33-L69 HydrophobicContact CG-CD1 4.45Å
34E84.3Confident77.8Confident79 Ų7962.1 Ų62.137%0.36935%0.347SS..Hα-helixtrans-59.5-45.1176.5-159.7176.1-178.200111.1I12 D30 L31 R36 S37 V38I12-E34 HydrophobicContact CD1-CB 4.32Å; I12-E34 HydrophobicContact CD1-CG 3.73Å; D30-E34 WeakPolarHBondContact O-CB 3.33Å; D30-E34 PolarHBondContact O-N 2.92Å; L31-E34 WeakPolarHBondContact CD2-OE2 3.44Å; E34-R36 PolarHBondContact O-N 2.87Å; E34-S37 PolarHBondContact O-N 2.94Å; E34-S37 PolarHBondContact O-OG 3.42Å; E34-V38 PolarHBondContact O-N 3.26Å
35L83.5Confident78Confident5 Ų559 Ų593%0.02633%0.33CS..Hα-helixtrans-64.5-20.7172.1-82.7170.7000115I12 M16 L31 K33 I50 V54 L73 W77I12-L35 HydrophobicContact CG2-CD1 3.98Å; I12-L35 HydrophobicContact CG2-CD2 4.14Å; I12-L35 HydrophobicContact CG2-CG 3.77Å; M16-L35 HydrophobicContact CE-CD1 4.06Å; M16-L35 HydrophobicContact SD-CD1 3.29Å; M16-L35 WeakPolarHBondContact SD-CD1 3.36Å; M16-L35 HydrophobicContact SD-CG 4.43Å; L31-L35 WeakPolarHBondContact O-CB 3.3Å; L31-L35 WeakPolarHBondContact O-CG 3.37Å; L31-L35 PolarHBondContact O-N 2.85Å; K33-L35 PolarHBondContact O-N 2.73Å; L35-I50 HydrophobicContact CD1-CD1 4.24Å; L35-I50 HydrophobicContact CD1-CG1 4.07Å; L35-I50 HydrophobicContact CD2-CG1 4.43Å; L35-V54 HydrophobicContact CD1-CG2 4.22Å; L35-L73 HydrophobicContact CB-CD1 4.23Å; L35-W77 HydrophobicContact CD1-CH2 4.22Å; L35-W77 HydrophobicContact CD2-CZ2 4.41Å
36R81.7Confident78.6Confident171 Ų17163.7 Ų63.765%0.64534%0.344SS*.Hα-helixtrans-81.1-28.9176.6-176.3178.7174-176.6-2.7112.1L32 K33 E34 L73L32-R36 PolarHBondContact O-N 3.28Å; K33-R36 WeakPolarHBondContact O-CB 3.42Å; K33-R36 PolarHBondContact O-N 2.73Å; E34-R36 PolarHBondContact O-N 2.87Å; R36-L73 HydrophobicContact CB-CD2 4.16Å
37S77.6Confident78.7Confident93 Ų9364.2 Ų64.265%0.6534%0.344SS*.Hα-helixtrans-77-25.2177.330.80000114.1K33 E34K33-S37 PolarHBondContact O-N 2.77Å; K33-S37 PolarHBondContact O-OG 2.86Å; E34-S37 PolarHBondContact O-N 2.94Å; E34-S37 PolarHBondContact O-OG 3.42Å
38V77.1Confident78.9Confident33 Ų3363.5 Ų63.520%0.233%0.332CS..SBendtrans-94.6130.4-176-170.70000111I9 E34 M40I9-V38 HydrophobicContact CD1-CG1 3.66Å; I9-V38 HydrophobicContact CG1-CG1 3.97Å; E34-V38 PolarHBondContact O-N 3.26Å; V38-M40 PolarHBondContact O-N 3.17Å
39P65.9Low79Confident100 Ų10071.8 Ų71.865%0.64936%0.364SS*.  trans-68.6115.6176.427.7-33.9000111.1
40M70.3Confident79Confident20 Ų2070.1 Ų70.110%0.09936%0.355CS..  trans-83.7125.2-178-164.773.2-164.400111.6I9 V38 L44 L45 I50 W77 L80I9-M40 HydrophobicContact CD1-SD 4.33Å; I9-M40 HydrophobicContact CG2-CE 4.01Å; I9-M40 HydrophobicContact CG2-SD 4.09Å; V38-M40 PolarHBondContact O-N 3.17Å; M40-L44 HydrophobicContact CE-CB 3.59Å; M40-L45 VanDerWaalsContact CE-CA 3.48Å; M40-L45 HydrophobicContact CE-CB 3.98Å; M40-L45 HydrophobicContact CE-CD1 4.35Å; M40-L45 VanDerWaalsContact CE-N 3.28Å; M40-I50 HydrophobicContact CE-CG2 3.65Å; M40-W77 VanDerWaalsContact CB-NE1 3.35Å; M40-W77 HydrophobicContact CG-CZ2 4.41Å; M40-W77 HydrophobicContact SD-CZ2 4.43Å; M40-L80 WeakPolarHBondContact O-CD1 3.32Å
41T76.2Confident78.9Confident70 Ų7066.6 Ų66.643%0.42934%0.342SS..  trans-92.9157.8172.769.60000112.1E43 L44 L45T41-E43 PolarHBondContact O-N 2.98Å; T41-L44 PolarHBondContact O-N 3.09Å; T41-L44 WeakPolarHBondContact OG1-CB 3.49Å; T41-L44 WeakPolarHBondContact OG1-CD1 3.27Å; T41-L44 WeakPolarHBondContact OG1-CG 3.39Å; T41-L44 PolarHBondContact OG1-N 3.16Å; T41-L45 WeakPolarHBondContact O-CB 3.5Å; T41-L45 PolarHBondContact O-N 3.22Å
42L75.3Confident78.9Confident77 Ų7772 Ų7240%0.40337%0.368SS..Hα-helixtrans-61.8-40.7179.1-178.3151000112.2L45 Q46 L81L42-L45 PolarHBondContact O-N 2.63Å; L42-Q46 HydrophobicContact CD2-CG 4.44Å; L42-Q46 WeakPolarHBondContact O-CG 3.35Å; L42-Q46 PolarHBondContact O-N 3.19Å; L42-L81 HydrophobicContact CD1-CD2 3.84Å; L42-L81 HydrophobicContact CG-CD2 4.09Å
43E72.2Confident78.8Confident154 Ų15472.1 Ų72.172%0.7237%0.369SS*.Hα-helixtrans-63.3-41.9177.1-62.9-174.7161.900112.2T41 L45 S47T41-E43 PolarHBondContact O-N 2.98Å; E43-L45 VanDerWaalsContact C-N 3.34Å; E43-S47 VanDerWaalsContact O-CB 3.29Å; E43-S47 WeakPolarHBondContact O-CB 3.5Å; E43-S47 PolarHBondContact O-N 3.18Å; E43-S47 PolarHBondContact O-OG 3.08Å
44L75.4Confident79Confident19 Ų1966.9 Ų66.910%0.09935%0.346CS..Hα-helixtrans-67.7-34.9175.2-72.2168.2000111.7E6 I9 M40 T41 S47 T48E6-L44 HydrophobicContact CB-CD2 4.23Å; E6-L44 HydrophobicContact CG-CD1 3.99Å; E6-L44 HydrophobicContact CG-CD2 4.12Å; I9-L44 HydrophobicContact CD1-CD1 3.66Å; M40-L44 HydrophobicContact CE-CB 3.59Å; T41-L44 PolarHBondContact O-N 3.09Å; T41-L44 WeakPolarHBondContact OG1-CB 3.49Å; T41-L44 WeakPolarHBondContact OG1-CD1 3.27Å; T41-L44 WeakPolarHBondContact OG1-CG 3.39Å; T41-L44 PolarHBondContact OG1-N 3.16Å; L44-S47 WeakPolarHBondContact CA-OG 3.37Å; L44-S47 PolarHBondContact O-OG 3.47Å; L44-T48 WeakPolarHBondContact O-CB 3.07Å; L44-T48 WeakPolarHBondContact O-CG2 3.46Å; L44-T48 PolarHBondContact O-N 3.47Å; L44-T48 PolarHBondContact O-OG1 3.37Å
45L79.4Confident79.2Confident22 Ų2265.5 Ų65.512%0.11534%0.342CS..Hα-helixtrans-68.1-40.4179.3-175.566.1000111.6M40 T41 L42 E43 R49 I50 W77 L81M40-L45 VanDerWaalsContact CE-CA 3.48Å; M40-L45 HydrophobicContact CE-CB 3.98Å; M40-L45 HydrophobicContact CE-CD1 4.35Å; M40-L45 VanDerWaalsContact CE-N 3.28Å; T41-L45 WeakPolarHBondContact O-CB 3.5Å; T41-L45 PolarHBondContact O-N 3.22Å; L42-L45 PolarHBondContact O-N 2.63Å; E43-L45 VanDerWaalsContact C-N 3.34Å; L45-R49 PolarHBondContact O-N 3.14Å; L45-I50 HydrophobicContact CD1-CG2 3.86Å; L45-W77 HydrophobicContact CD1-CB 4.27Å; L45-W77 HydrophobicContact CD1-CD2 3.96Å; L45-W77 HydrophobicContact CD1-CE3 3.78Å; L45-W77 HydrophobicContact CD1-CG 4.19Å; L45-W77 HydrophobicContact CD1-CZ3 4.4Å; L45-W77 HydrophobicContact CD2-CB 3.91Å; L45-L81 HydrophobicContact CD2-CD1 4.03Å; L45-L81 HydrophobicContact CD2-CG 4.31Å
46Q77.9Confident79.3Confident127 Ų12767 Ų6759%0.59335%0.354SS*.Hα-helixtrans-72.4-47.1176.6-68.7-177-0.800112.2L42L42-Q46 HydrophobicContact CD2-CG 4.44Å; L42-Q46 WeakPolarHBondContact O-CG 3.35Å; L42-Q46 PolarHBondContact O-N 3.19Å
47S76.8Confident79.5Confident83 Ų8358.9 Ų58.958%0.5832%0.324SS*.Hα-helixtrans-69.1-42.4-176.757.10000113.5E43 L44E43-S47 VanDerWaalsContact O-CB 3.29Å; E43-S47 WeakPolarHBondContact O-CB 3.5Å; E43-S47 PolarHBondContact O-N 3.18Å; E43-S47 PolarHBondContact O-OG 3.08Å; L44-S47 WeakPolarHBondContact CA-OG 3.37Å; L44-S47 PolarHBondContact O-OG 3.47Å
48T80.3Confident79.9Confident20 Ų2058 Ų5812%0.12331%0.306CS..Hα-helixtrans-82.4-20.3-179.465.50000113.9I9 I10 A13 L44 I50I9-T48 HydrophobicContact CG2-CG2 4.28Å; I10-T48 HydrophobicContact CG1-CG2 3.86Å; A13-T48 HydrophobicContact CB-CG2 4.46Å; L44-T48 WeakPolarHBondContact O-CB 3.07Å; L44-T48 WeakPolarHBondContact O-CG2 3.46Å; L44-T48 PolarHBondContact O-N 3.47Å; L44-T48 PolarHBondContact O-OG1 3.37Å; T48-I50 PolarHBondContact O-N 3.43Å; T48-I50 VanDerWaalsContact O-N 3.13Å; T48-I50 WeakPolarHBondContact OG1-CG2 3.46Å; T48-I50 PolarHBondContact OG1-N 3.48Å
49R82.7Confident80.4Confident173 Ų17363.8 Ų63.865%0.65333%0.329SS*.  trans54.321.7-172.1-62.2-174.3-72.5-176.1-5.4114.7L45 G51 M52L45-R49 PolarHBondContact O-N 3.14Å; R49-G51 PolarHBondContact O-N 3.13Å; R49-M52 HydrophobicContact CB-SD 4.36Å; R49-M52 WeakPolarHBondContact O-CB 3.44Å; R49-M52 PolarHBondContact O-N 2.83Å
50I82.6Confident81.2Confident0 Ų061.8 Ų61.80%031%0.311CS..Hα-helixtrans-53.2-29.5-175.3-172.650.9000114.4A13 M16 L35 M40 L45 T48 M52 S53 V54 W77A13-I50 HydrophobicContact CB-CB 4.29Å; A13-I50 HydrophobicContact CB-CD1 3.87Å; A13-I50 HydrophobicContact CB-CG1 4.37Å; M16-I50 HydrophobicContact CB-CD1 4.14Å; M16-I50 HydrophobicContact SD-CD1 3.93Å; L35-I50 HydrophobicContact CD1-CD1 4.24Å; L35-I50 HydrophobicContact CD1-CG1 4.07Å; L35-I50 HydrophobicContact CD2-CG1 4.43Å; M40-I50 HydrophobicContact CE-CG2 3.65Å; L45-I50 HydrophobicContact CD1-CG2 3.86Å; T48-I50 PolarHBondContact O-N 3.43Å; T48-I50 VanDerWaalsContact O-N 3.13Å; T48-I50 WeakPolarHBondContact OG1-CG2 3.46Å; T48-I50 PolarHBondContact OG1-N 3.48Å; I50-M52 PolarHBondContact O-N 3.17Å; I50-S53 PolarHBondContact O-N 2.94Å; I50-S53 VanDerWaalsContact O-N 3.16Å; I50-V54 HydrophobicContact CD1-CG2 4.06Å; I50-V54 HydrophobicContact CG1-CG2 4.06Å; I50-V54 WeakPolarHBondContact O-CG2 3.49Å; I50-V54 PolarHBondContact O-N 2.94Å; I50-W77 HydrophobicContact CG1-CH2 3.98Å; I50-W77 HydrophobicContact CG1-CZ3 4.36Å; I50-W77 HydrophobicContact CG2-CH2 3.95Å; I50-W77 HydrophobicContact CG2-CZ3 3.98Å
51G83.7Confident81.6Confident24 Ų2461.6 Ų61.625%0.24731%0.311CS..Hα-helixtrans-58.4-29.3173.600000114.1R49 N55R49-G51 PolarHBondContact O-N 3.13Å; G51-N55 WeakPolarHBondContact O-CB 3.24Å; G51-N55 PolarHBondContact O-N 2.74Å
52M83.6Confident81.8Confident131 Ų13164.8 Ų64.865%0.64533%0.331SS*.Hα-helixtrans-72.9-45.9174.4-63.5-176.966.700111.2R49 I50 N55 A56R49-M52 HydrophobicContact CB-SD 4.36Å; R49-M52 WeakPolarHBondContact O-CB 3.44Å; R49-M52 PolarHBondContact O-N 2.83Å; I50-M52 PolarHBondContact O-N 3.17Å; M52-N55 PolarHBondContact O-N 3.44Å; M52-A56 PolarHBondContact O-N 2.7Å
53S84.5Confident82.1Confident3 Ų365.3 Ų65.32%0.02133%0.334CS..Hα-helixtrans-63.4-45.3179.7-25.60000111.4D17 I50 N55 A56 I57D17-S53 WeakPolarHBondContact OD1-CB 3.35Å; D17-S53 PolarHBondContact OD1-OG 2.77Å; I50-S53 PolarHBondContact O-N 2.94Å; I50-S53 VanDerWaalsContact O-N 3.16Å; S53-N55 PolarHBondContact O-N 3.07Å; S53-A56 PolarHBondContact O-N 3.48Å; S53-I57 WeakPolarHBondContact O-CG1 3.22Å; S53-I57 PolarHBondContact O-N 2.91Å
54V87.4Confident82.7Confident0 Ų066 Ų660%034%0.337CS..Hα-helixtrans-62.3-41.2174.8173.60000111.2M16 L32 L35 I50 A56 I57 R58 A70 I74 W77M16-V54 HydrophobicContact CE-CG2 3.68Å; M16-V54 HydrophobicContact SD-CG2 4.45Å; L32-V54 HydrophobicContact CD2-CG1 3.96Å; L32-V54 HydrophobicContact CD2-CG2 4.21Å; L35-V54 HydrophobicContact CD1-CG2 4.22Å; I50-V54 HydrophobicContact CD1-CG2 4.06Å; I50-V54 HydrophobicContact CG1-CG2 4.06Å; I50-V54 WeakPolarHBondContact O-CG2 3.49Å; I50-V54 PolarHBondContact O-N 2.94Å; V54-A56 VanDerWaalsContact C-N 3.35Å; V54-I57 PolarHBondContact O-N 3.4Å; V54-R58 WeakPolarHBondContact O-CB 3.33Å; V54-R58 PolarHBondContact O-N 3.05Å; V54-A70 HydrophobicContact CG1-CB 3.68Å; V54-I74 HydrophobicContact CG1-CD1 4.04Å; V54-I74 HydrophobicContact CG1-CG1 4Å; V54-W77 HydrophobicContact CB-CZ3 4.27Å; V54-W77 HydrophobicContact CG2-CH2 3.9Å; V54-W77 HydrophobicContact CG2-CZ3 3.86Å
55N88.4Confident83.1Confident51 Ų5171.1 Ų71.127%0.27336%0.361SS..Hα-helixtrans-70.8-27.8176.8-177.259.8000113.2G51 M52 S53 R58 K59 I74G51-N55 WeakPolarHBondContact O-CB 3.24Å; G51-N55 PolarHBondContact O-N 2.74Å; M52-N55 PolarHBondContact O-N 3.44Å; S53-N55 PolarHBondContact O-N 3.07Å; N55-R58 PolarHBondContact OD1-NH1 2.9Å; N55-K59 WeakPolarHBondContact O-CG 3.16Å; N55-K59 PolarHBondContact O-N 2.87Å; N55-I74 HydrophobicContact CB-CD1 3.87Å
56A87.1Confident83.3Confident36 Ų3670.1 Ų70.130%0.29836%0.355SS..Hα-helixtrans-70.9-46.4170.800000111.1A20 M52 S53 V54 R58 K59 Q60A20-A56 HydrophobicContact CB-CB 3.91Å; M52-A56 PolarHBondContact O-N 2.7Å; S53-A56 PolarHBondContact O-N 3.48Å; V54-A56 VanDerWaalsContact C-N 3.35Å; A56-R58 VanDerWaalsContact C-N 3.33Å; A56-R58 PolarHBondContact O-N 3.44Å; A56-K59 WeakPolarHBondContact O-CB 3.47Å; A56-K59 PolarHBondContact O-N 3.38Å; A56-Q60 PolarHBondContact O-N 3Å; A56-Q60 VanDerWaalsContact O-N 3.09Å
57I85.5Confident83.7Confident0 Ų065.3 Ų65.30%034%0.335CS..Hα-helixtrans-57.4-46.2174.5-73.7167000110.8M16 M19 A20 A28 S53 V54 K59 Q60 S61 V66M16-I57 HydrophobicContact CB-CD1 3.9Å; M16-I57 HydrophobicContact CE-CD1 3.52Å; M16-I57 HydrophobicContact CG-CD1 4.17Å; M19-I57 HydrophobicContact CE-CD1 4.08Å; A20-I57 HydrophobicContact CB-CG1 4.35Å; A28-I57 HydrophobicContact CB-CG2 3.96Å; S53-I57 WeakPolarHBondContact O-CG1 3.22Å; S53-I57 PolarHBondContact O-N 2.91Å; V54-I57 PolarHBondContact O-N 3.4Å; I57-K59 PolarHBondContact O-N 3.11Å; I57-Q60 PolarHBondContact O-N 3.45Å; I57-Q60 VanDerWaalsContact O-N 3.16Å; I57-S61 WeakPolarHBondContact O-CB 3.3Å; I57-S61 PolarHBondContact O-N 2.88Å; I57-S61 PolarHBondContact O-OG 2.83Å; I57-V66 HydrophobicContact CG2-CG1 3.8Å
58R86.4Confident84.2Confident75 Ų7564.4 Ų64.428%0.28333%0.329SS..Hα-helixtrans-58.7-18.1173.5-162-15278.5-163.43.2115V54 N55 A56 T67 A70 K71V54-R58 WeakPolarHBondContact O-CB 3.33Å; V54-R58 PolarHBondContact O-N 3.05Å; N55-R58 PolarHBondContact OD1-NH1 2.9Å; A56-R58 VanDerWaalsContact C-N 3.33Å; A56-R58 PolarHBondContact O-N 3.44Å; R58-T67 HydrophobicContact CG-CG2 4.14Å; R58-A70 HydrophobicContact CB-CB 3.86Å; R58-A70 HydrophobicContact CG-CB 3.94Å; R58-K71 HydrophobicContact CG-CG 4.37Å
59K86.1Confident84.5Confident155 Ų15564.9 Ų64.967%0.67433%0.33SS*.Hα-helixtrans-98.6-24.1178.3-77.2-179.7177.1-171.50113.2N55 A56 I57N55-K59 WeakPolarHBondContact O-CG 3.16Å; N55-K59 PolarHBondContact O-N 2.87Å; A56-K59 WeakPolarHBondContact O-CB 3.47Å; A56-K59 PolarHBondContact O-N 3.38Å; I57-K59 PolarHBondContact O-N 3.11Å
60Q82.9Confident84.7Confident57 Ų5756.7 Ų56.727%0.26630%0.299SS..Hα-helixtrans-99.6-24.5-177.377.8-17123.100113.2M19 A20 A56 I57M19-Q60 PolarHBondContact O-NE2 3.38Å; A20-Q60 PolarHBondContact O-OE1 3.44Å; A20-Q60 VanDerWaalsContact O-OE1 3.11Å; A56-Q60 PolarHBondContact O-N 3Å; A56-Q60 VanDerWaalsContact O-N 3.09Å; I57-Q60 PolarHBondContact O-N 3.45Å; I57-Q60 VanDerWaalsContact O-N 3.16Å
61S80.3Confident85Confident16 Ų1662.4 Ų62.411%0.11232%0.324CS..  trans-78.6134.4179.4-69.90000111.5I57I57-S61 WeakPolarHBondContact O-CB 3.3Å; I57-S61 PolarHBondContact O-N 2.88Å; I57-S61 PolarHBondContact O-OG 2.83Å
62T79Confident85.1Confident137 Ų13764.7 Ų64.784%0.8434%0.336SS*.  trans-84.8-14.9171.646.90000113.1
63D82.1Confident85.3Confident88 Ų8859 Ų5947%0.47131%0.308SS..  trans-71.7128.5178.5-71.1-53.3000112.8V66 T67D63-V66 HydrophobicContact CB-CB 3.92Å; D63-V66 HydrophobicContact CB-CG2 3.7Å; D63-T67 VanDerWaalsContact O-CB 3.31Å; D63-T67 WeakPolarHBondContact O-CB 3.4Å; D63-T67 PolarHBondContact O-N 3.01Å; D63-T67 PolarHBondContact O-OG1 3.38Å
64E83.7Confident85.4Confident169 Ų16960.1 Ų60.179%0.7931%0.314SS*.Hα-helixtrans-69.3-33.9176.8-60.1-161.7145.100112.3T67 S68E64-T67 PolarHBondContact O-N 3.2Å; E64-S68 VanDerWaalsContact O-CB 3.3Å; E64-S68 WeakPolarHBondContact O-CB 3.43Å; E64-S68 PolarHBondContact O-N 3.32Å; E64-S68 PolarHBondContact O-OG 3.03Å
65E84.2Confident85.3Confident126 Ų12667.6 Ų67.659%0.58935%0.347SS*.Hα-helixtrans-65.2-47.6175.6-63.9-157.9142.300111.9L29 T67 S68 L69L29-E65 HydrophobicContact CD1-CB 4.08Å; E65-T67 VanDerWaalsContact C-N 3.3Å; E65-T67 PolarHBondContact O-N 2.68Å; E65-S68 WeakPolarHBondContact CA-OG 3.38Å; E65-S68 PolarHBondContact O-N 3.26Å; E65-S68 PolarHBondContact O-OG 3.38Å; E65-L69 WeakPolarHBondContact O-CB 3.49Å; E65-L69 WeakPolarHBondContact O-CG 3.35Å; E65-L69 PolarHBondContact O-N 3.32Å
66V84.5Confident85.1Confident1 Ų167.9 Ų67.91%0.00635%0.352CS..Hα-helixtrans-59.6-44.4174.8176.60000110.2A28 L29 L32 I57 D63 A70A28-V66 HydrophobicContact CB-CG1 4.41Å; L29-V66 HydrophobicContact CB-CG2 3.85Å; L29-V66 HydrophobicContact CD1-CG2 4.06Å; L29-V66 HydrophobicContact CG-CG2 4.16Å; L32-V66 HydrophobicContact CD1-CB 4.42Å; L32-V66 HydrophobicContact CD1-CG1 3.68Å; I57-V66 HydrophobicContact CG2-CG1 3.8Å; D63-V66 HydrophobicContact CB-CB 3.92Å; D63-V66 HydrophobicContact CB-CG2 3.7Å; V66-A70 WeakPolarHBondContact O-CB 3.35Å; V66-A70 PolarHBondContact O-N 3.03Å
67T85.6Confident85.1Confident27 Ų2766.8 Ų66.817%0.16634%0.34CS..Hα-helixtrans-65.2-42-179.7-64.90000112.5R58 D63 E64 E65 K71R58-T67 HydrophobicContact CG-CG2 4.14Å; D63-T67 VanDerWaalsContact O-CB 3.31Å; D63-T67 WeakPolarHBondContact O-CB 3.4Å; D63-T67 PolarHBondContact O-N 3.01Å; D63-T67 PolarHBondContact O-OG1 3.38Å; E64-T67 PolarHBondContact O-N 3.2Å; E65-T67 VanDerWaalsContact C-N 3.3Å; E65-T67 PolarHBondContact O-N 2.68Å; T67-K71 HydrophobicContact CG2-CD 4.31Å; T67-K71 WeakPolarHBondContact O-CB 3.41Å; T67-K71 WeakPolarHBondContact O-CG 3.38Å; T67-K71 PolarHBondContact O-N 3.1Å
68S88Confident84.9Confident64 Ų6472.8 Ų72.845%0.44837%0.366SS..Hα-helixtrans-73.3-43.1-179.655.90000112.4E64 E65 K71 S72E64-S68 VanDerWaalsContact O-CB 3.3Å; E64-S68 WeakPolarHBondContact O-CB 3.43Å; E64-S68 PolarHBondContact O-N 3.32Å; E64-S68 PolarHBondContact O-OG 3.03Å; E65-S68 WeakPolarHBondContact CA-OG 3.38Å; E65-S68 PolarHBondContact O-N 3.26Å; E65-S68 PolarHBondContact O-OG 3.38Å; S68-K71 PolarHBondContact O-N 3.01Å; S68-S72 PolarHBondContact O-N 3.46Å
69L86.7Confident84.6Confident30 Ų3077 Ų7716%0.15739%0.387CS..Hα-helixtrans-60.8-45.6173.5-72.6172.7000111.6L32 K33 E65 K71 S72 L73L32-L69 HydrophobicContact CB-CB 4.49Å; K33-L69 HydrophobicContact CG-CD1 4.45Å; E65-L69 WeakPolarHBondContact O-CB 3.49Å; E65-L69 WeakPolarHBondContact O-CG 3.35Å; E65-L69 PolarHBondContact O-N 3.32Å; L69-K71 PolarHBondContact O-N 3.27Å; L69-S72 WeakPolarHBondContact O-CB 3.35Å; L69-S72 PolarHBondContact O-N 3.32Å; L69-S72 VanDerWaalsContact O-N 3.17Å; L69-L73 PolarHBondContact O-N 3.18Å
70A86.6Confident83.8Confident0 Ų074 Ų740%038%0.378CS..Hα-helixtrans-63.3-38.1175.900000112.8L32 V54 R58 V66 I74L32-A70 HydrophobicContact CD1-CB 4.23Å; L32-A70 HydrophobicContact CD2-CB 4.18Å; V54-A70 HydrophobicContact CG1-CB 3.68Å; R58-A70 HydrophobicContact CB-CB 3.86Å; R58-A70 HydrophobicContact CG-CB 3.94Å; V66-A70 WeakPolarHBondContact O-CB 3.35Å; V66-A70 PolarHBondContact O-N 3.03Å; A70-I74 WeakPolarHBondContact O-CB 3.45Å; A70-I74 WeakPolarHBondContact O-CD1 3.34Å; A70-I74 WeakPolarHBondContact O-CG1 3.23Å; A70-I74 PolarHBondContact O-N 3.23Å; A70-I74 VanDerWaalsContact O-N 3.08Å
71K87.9Confident83Confident121 Ų12175.5 Ų75.553%0.52639%0.387SS..Hα-helixtrans-61.5-42.7171.8-76.1170.4-175.6170.20111.8R58 T67 S68 L69 K75R58-K71 HydrophobicContact CG-CG 4.37Å; T67-K71 HydrophobicContact CG2-CD 4.31Å; T67-K71 WeakPolarHBondContact O-CB 3.41Å; T67-K71 WeakPolarHBondContact O-CG 3.38Å; T67-K71 PolarHBondContact O-N 3.1Å; S68-K71 PolarHBondContact O-N 3.01Å; L69-K71 PolarHBondContact O-N 3.27Å; K71-K75 WeakPolarHBondContact O-CB 3.46Å; K71-K75 PolarHBondContact O-N 3.45Å
72S87.5Confident81.9Confident71 Ų7181 Ų8150%0.49742%0.415SS..Hα-helixtrans-64-48.4-179.4-167.20000111.8S68 L69 I74 K75 S76S68-S72 PolarHBondContact O-N 3.46Å; L69-S72 WeakPolarHBondContact O-CB 3.35Å; L69-S72 PolarHBondContact O-N 3.32Å; L69-S72 VanDerWaalsContact O-N 3.17Å; S72-I74 PolarHBondContact O-N 3.25Å; S72-K75 WeakPolarHBondContact O-CB 3.48Å; S72-K75 PolarHBondContact O-N 3.45Å; S72-S76 PolarHBondContact O-N 3.18Å; S72-S76 PolarHBondContact O-OG 3.14Å
73L85.8Confident80.4Confident11 Ų1181 Ų816%0.05841%0.406CS..Hα-helixtrans-61.5-42.9176.2-70.9169.6000112.6L32 L35 R36 L69 K75 S76 W77L32-L73 HydrophobicContact CB-CD1 4.43Å; L32-L73 HydrophobicContact CD2-CD1 3.74Å; L35-L73 HydrophobicContact CB-CD1 4.23Å; R36-L73 HydrophobicContact CB-CD2 4.16Å; L69-L73 PolarHBondContact O-N 3.18Å; L73-K75 PolarHBondContact O-N 2.9Å; L73-S76 PolarHBondContact O-N 2.96Å; L73-S76 PolarHBondContact O-OG 2.64Å; L73-W77 HydrophobicContact CB-CH2 4.43Å; L73-W77 HydrophobicContact CB-CZ2 4.31Å; L73-W77 HydrophobicContact CD2-CZ2 4.33Å; L73-W77 WeakPolarHBondContact O-CB 3.29Å; L73-W77 PolarHBondContact O-N 3.41Å
74I87.2Confident78.5Confident27 Ų2783.2 Ų83.214%0.13843%0.425CS..Hα-helixtrans-62.8-33.5174.8-67.6164.8000111.1V54 N55 A70 S72 K78V54-I74 HydrophobicContact CG1-CD1 4.04Å; V54-I74 HydrophobicContact CG1-CG1 4Å; N55-I74 HydrophobicContact CB-CD1 3.87Å; A70-I74 WeakPolarHBondContact O-CB 3.45Å; A70-I74 WeakPolarHBondContact O-CD1 3.34Å; A70-I74 WeakPolarHBondContact O-CG1 3.23Å; A70-I74 PolarHBondContact O-N 3.23Å; A70-I74 VanDerWaalsContact O-N 3.08Å; S72-I74 PolarHBondContact O-N 3.25Å; I74-K78 HydrophobicContact CG2-CD 4.41Å; I74-K78 WeakPolarHBondContact O-CB 3.35Å; I74-K78 VanDerWaalsContact O-CG 3.27Å; I74-K78 WeakPolarHBondContact O-CG 3.32Å; I74-K78 PolarHBondContact O-N 3.36Å; I74-K78 VanDerWaalsContact O-N 3.1Å
75K86.6Confident76.1Confident158 Ų15878.5 Ų78.569%0.68742%0.421SS*.Hα-helixtrans-73-41.4178.1-168176.8-178.5-178.60112.1K71 S72 L73 K78 K79K71-K75 WeakPolarHBondContact O-CB 3.46Å; K71-K75 PolarHBondContact O-N 3.45Å; S72-K75 WeakPolarHBondContact O-CB 3.48Å; S72-K75 PolarHBondContact O-N 3.45Å; L73-K75 PolarHBondContact O-N 2.9Å; K75-K78 PolarHBondContact O-N 3.34Å; K75-K79 PolarHBondContact O-N 2.82Å; K75-K79 VanDerWaalsContact O-N 3.14Å
76S83.7Confident73.7Confident56 Ų5675.7 Ų75.739%0.39243%0.426SS..Hα-helixtrans-67.2-42.9175.958.50000111.9S72 L73 K78 K79 L80S72-S76 PolarHBondContact O-N 3.18Å; S72-S76 PolarHBondContact O-OG 3.14Å; L73-S76 PolarHBondContact O-N 2.96Å; L73-S76 PolarHBondContact O-OG 2.64Å; S76-K78 VanDerWaalsContact C-N 3.33Å; S76-K78 PolarHBondContact O-N 3.34Å; S76-K79 WeakPolarHBondContact O-CB 3.23Å; S76-K79 PolarHBondContact O-N 2.71Å; S76-K79 VanDerWaalsContact O-N 3.14Å; S76-L80 PolarHBondContact O-N 3.35Å
77W86.4Confident71.1Confident13 Ų1379.3 Ų79.35%0.04946%0.464CS..Hα-helixtrans-66.8-30.7176.9-62.5-19.3000113.6L35 M40 L45 I50 V54 L73 L80L35-W77 HydrophobicContact CD1-CH2 4.22Å; L35-W77 HydrophobicContact CD2-CZ2 4.41Å; M40-W77 VanDerWaalsContact CB-NE1 3.35Å; M40-W77 HydrophobicContact CG-CZ2 4.41Å; M40-W77 HydrophobicContact SD-CZ2 4.43Å; L45-W77 HydrophobicContact CD1-CB 4.27Å; L45-W77 HydrophobicContact CD1-CD2 3.96Å; L45-W77 HydrophobicContact CD1-CE3 3.78Å; L45-W77 HydrophobicContact CD1-CG 4.19Å; L45-W77 HydrophobicContact CD1-CZ3 4.4Å; L45-W77 HydrophobicContact CD2-CB 3.91Å; I50-W77 HydrophobicContact CG1-CH2 3.98Å; I50-W77 HydrophobicContact CG1-CZ3 4.36Å; I50-W77 HydrophobicContact CG2-CH2 3.95Å; I50-W77 HydrophobicContact CG2-CZ3 3.98Å; V54-W77 HydrophobicContact CB-CZ3 4.27Å; V54-W77 HydrophobicContact CG2-CH2 3.9Å; V54-W77 HydrophobicContact CG2-CZ3 3.86Å; L73-W77 HydrophobicContact CB-CH2 4.43Å; L73-W77 HydrophobicContact CB-CZ2 4.31Å; L73-W77 HydrophobicContact CD2-CZ2 4.33Å; L73-W77 WeakPolarHBondContact O-CB 3.29Å; L73-W77 PolarHBondContact O-N 3.41Å; W77-L80 PolarHBondContact O-N 3.34Å
78K81.8Confident68.7Low126 Ų12685.4 Ų85.455%0.54850%0.496SS..Hα-helixtrans-65.4-43.2168.7-80.6-179.1172.2-155.90112.2I74 K75 S76 L80 L81 D82I74-K78 HydrophobicContact CG2-CD 4.41Å; I74-K78 WeakPolarHBondContact O-CB 3.35Å; I74-K78 VanDerWaalsContact O-CG 3.27Å; I74-K78 WeakPolarHBondContact O-CG 3.32Å; I74-K78 PolarHBondContact O-N 3.36Å; I74-K78 VanDerWaalsContact O-N 3.1Å; K75-K78 PolarHBondContact O-N 3.34Å; S76-K78 VanDerWaalsContact C-N 3.33Å; S76-K78 PolarHBondContact O-N 3.34Å; K78-L80 PolarHBondContact O-N 3.29Å; K78-L81 WeakPolarHBondContact O-CA 3.44Å; K78-L81 WeakPolarHBondContact O-CB 3.13Å; K78-L81 PolarHBondContact O-N 2.7Å; K78-D82 PolarHBondContact O-N 2.71Å; K78-D82 VanDerWaalsContact O-N 3.14Å
79K79.3Confident66Low164 Ų16492.1 Ų92.171%0.71352%0.517SS*.Hα-helixtrans-59.1-29.8176-164.5-179.6179.1-174.10112.5K75 S76 L81 D82K75-K79 PolarHBondContact O-N 2.82Å; K75-K79 VanDerWaalsContact O-N 3.14Å; S76-K79 WeakPolarHBondContact O-CB 3.23Å; S76-K79 PolarHBondContact O-N 2.71Å; S76-K79 VanDerWaalsContact O-N 3.14Å; K79-L81 VanDerWaalsContact C-N 3.28Å; K79-L81 PolarHBondContact O-N 3.15Å; K79-D82 PolarHBondContact O-N 2.9Å
80L69.3Low63.4Low92 Ų9295 Ų9548%0.48255%0.545SS..THydrogen-bonded Turntrans-75.4-9.1173.2-64.1174.1000114.6M40 S76 W77 K78M40-L80 WeakPolarHBondContact O-CD1 3.32Å; S76-L80 PolarHBondContact O-N 3.35Å; W77-L80 PolarHBondContact O-N 3.34Å; K78-L80 PolarHBondContact O-N 3.29Å
81L65.9Low61.1Low88 Ų88100.6 Ų100.646%0.46158%0.581SS.*THydrogen-bonded Turntrans-103.8-14.2173.9-66.6166.9000112.6L42 L45 K78 K79L42-L81 HydrophobicContact CD1-CD2 3.84Å; L42-L81 HydrophobicContact CG-CD2 4.09Å; L45-L81 HydrophobicContact CD2-CD1 4.03Å; L45-L81 HydrophobicContact CD2-CG 4.31Å; K78-L81 WeakPolarHBondContact O-CA 3.44Å; K78-L81 WeakPolarHBondContact O-CB 3.13Å; K78-L81 PolarHBondContact O-N 2.7Å; K79-L81 VanDerWaalsContact C-N 3.28Å; K79-L81 PolarHBondContact O-N 3.15Å
82D58.6Low58.2Low132 Ų132102.7 Ų102.771%0.70660%0.598SS**SBendtrans-987.8-175.5-80.7-56.8000113.8K78 K79K78-D82 PolarHBondContact O-N 2.71Å; K78-D82 VanDerWaalsContact O-N 3.14Å; K79-D82 PolarHBondContact O-N 2.9Å
83E47.1Very low55.5Low136 Ų136106.8 Ų106.864%0.63661%0.61SS**  trans-101.1120.5161.8-79.6-133.481.100109.5G85 G86E83-G85 PolarHBondContact OE1-N 2.8Å; E83-G86 PolarHBondContact OE1-N 2.83Å
84P41.3Very low52.8Low136 Ų136115.3 Ų115.388%0.88365%0.646SS**SBend-118.512079.734.2-31000113.6
85G34.1Very low50Low69 Ų69124.6 Ų124.671%0.71168%0.679SS**SBendtrans123.466.1159.600000116.2E83E83-G85 PolarHBondContact OE1-N 2.8Å
86G33.5Very low47.2Very low67 Ų67124.5 Ų124.569%0.69168%0.679SS**  trans48.3101.313100000118.6E83E83-G86 PolarHBondContact OE1-N 2.83Å
87G30.8Very low44.4Very low77 Ų77127.3 Ų127.379%0.79469%0.686SS**  trans-170.890.6169.700000112.4K89G87-K89 PolarHBondContact O-N 2.82Å
88D34.7Very low41.6Very low156 Ų156134.1 Ų134.183%0.83472%0.718SS**  trans-65.6123176.7-171.6-80000111.7
89K31.8Very low38.8Very low204 Ų204134.3 Ų134.389%0.88773%0.73SS**  trans-148.8133.4148.8-69.5-158.5176.9-179.10111.6G87G87-K89 PolarHBondContact O-N 2.82Å
90A32.2Very low36.4Very low90 Ų90132.5 Ų132.574%0.74473%0.733SS**  trans-72.6158.6172.100000112.6
91P37.1Very low35Very low119 Ų119133.6 Ų133.677%0.77375%0.745SS**  trans-91135.7179.234.8-31.3000112.5
92D26.9Very low33.1Very low164 Ų164135.5 Ų135.588%0.87776%0.76SS**  trans-105.3160160.4-151.3-76.3000110.3
93E31.5Very low31.5Very low158 Ų158135.8 Ų135.874%0.73877%0.767SS**  trans-118.5178.5-161.1-97.8-106.5126.200112
94K29.2Very low30.4Very low189 Ų189134.3 Ų134.382%0.82277%0.771SS**  trans74.5139.1167.5-73.3166.7-173.6170.20115.8
95R28.4Very low30.2Very low222 Ų222133.1 Ų133.184%0.83876%0.764SS**  cis-165.6139.43179.3172.1176.6-123.41.5111
96K27.6Very low29.7Very low156 Ų156134.5 Ų134.568%0.67876%0.763SS**  15.8150.9128.5-88.3176.5167.2-92.70118.4
97E25.6Very low29.3Very low115 Ų115140.9 Ų140.954%0.53777%0.774SS.*  cis-178.2160.64.5-130.8164179.100110.2
98Q27.9Very low28.9Very low156 Ų156141 Ų14173%0.72978%0.776SS**  trans60.3162.6151-70.9156.119.400118.2
99T22.5Very low28.4Very low130 Ų130138.8 Ų138.880%0.79877%0.773SS**  cis-153.6162.314.2-19.50000111.8
100T28.9Very low28.2Very low127 Ų127135 Ų13578%0.77977%0.769SS**  trans-93.1163.9160.755.30000110.3
101P39.3Very low27.8Very low114 Ų114138.8 Ų138.874%0.7477%0.771SS**  -155.3160.98136-13.4000119.1
102V25.1Very low27.7Very low128 Ų128137.8 Ų137.878%0.77677%0.765SS**  trans35134.2134-1630000119.2
103V25.6Very low27.6Very low138 Ų138138.7 Ų138.784%0.83676%0.761SS**  -160.115862.9-1500000114.2
104S25Very low27.3Very low105 Ų105139 Ų13973%0.73476%0.762SS**  trans-84.9-166.6169.4-30.20000113
105P36.3Very low27Very low111 Ų111137.7 Ų137.772%0.72176%0.759SS**  cis-138.2-172.4-19.535.3-13.7000115.7
106S23.1Very low26.9Very low99 Ų99131.6 Ų131.669%0.69275%0.751SS**  trans97.1106.2142.2-63.90000123.1
107Q25Very low26.9Very low200 Ų200129.4 Ų129.494%0.93576%0.755SS**  47.8124.3128-64-174.8-59.100122.2
108G23.6Very low26.8Very low81 Ų81129.8 Ų129.884%0.83577%0.77SS**  trans177.787.4160.600000113.1
109S22.9Very low26.6Very low109 Ų109127.8 Ų127.876%0.76277%0.773SS**  trans-86.1150.2160.6-140.30000107.8
110P29.4Very low26.8Very low124 Ų124127.3 Ų127.381%0.80578%0.776SS**  -143.11676035.5-14.8000118.2
111E22.7Very low26.7Very low170 Ų170128.4 Ų128.479%0.79478%0.777SS**  trans-45.1169.8152.6-87.4165.165.300114.5
112P34.9Very low26.1Very low98 Ų98127.6 Ų127.664%0.63677%0.774SS**  cis-153.8-175.835.245.7-25.1000119.8
113K25.5Very low26.1Very low183 Ų183127.1 Ų127.180%0.79678%0.776SS**  trans76125.8152.7-76.7165.6-178-1720118.9
114E24.5Very low26.2Very low163 Ų163126.1 Ų126.176%0.76278%0.775SS**  63.3136.170.2-56.5-70.3179.600110.9
115E24.2Very low26.3Very low163 Ų163130 Ų13076%0.76278%0.779SS**  cis-167.6171.729.4-138.1166.3170.700111.3
116S25.1Very low25.9Very low94 Ų94129 Ų12966%0.65778%0.775SS**  trans51.7112.7147.8-66.20000121.8
117S26.9Very low26.1Very low109 Ų109133.3 Ų133.376%0.76278%0.783SS**  75.5118.166.379.10000117.1
118S23.9Very low26.1Very low124 Ų124130.5 Ų130.587%0.86778%0.78SS**  trans-155155146.159.50000110.4
119S25.3Very low26.3Very low113 Ų113131 Ų13179%0.7977%0.771SS**  trans-129.1-178.6-166.6-54.20000112.4
120S26.1Very low26.6Very low121 Ų121134.1 Ų134.185%0.84677%0.774SS**  trans83.9143.3165.188.40000115.5
121N25.5Very low26.7Very low150 Ų150134.9 Ų134.980%0.80278%0.776SS**  cis-164.6179.1-15.1-1585.5000111
122S26.6Very low27.1Very low97 Ų97130.6 Ų130.668%0.67877%0.77SS**  trans74.5119.7165.965.30000117.2
123S27Very low26.8Very low117 Ų117131.4 Ų131.482%0.81878%0.778SS**  75.1132.766.8-55.70000112.8
124S26Very low27.5Very low117 Ų117130.9 Ų130.982%0.81878%0.783SS**  cis-170.4173.39.745.50000111.5
125K28Very low28Very low188 Ų188128.6 Ų128.682%0.81778%0.78SS**  trans143.1132.9131-168.8162.7179.4176.30117.8
126S28.4Very low28.7Very low90 Ų90131 Ų13163%0.62979%0.789SS**  trans50.7121.8159.858.10000120.3
127E27Very low29.3Very low188 Ų188132.3 Ų132.388%0.87979%0.793SS**  cis94.211949-84.7-169.812700114.7
128T25Very low29.9Very low141 Ų141133.3 Ų133.387%0.86580%0.795SS**  trans-170.7120.6134.936.50000111.9
129S27.3Very low30.9Very low93 Ų93132 Ų13265%0.6579%0.791SS**  trans29.1117.1144.5-650000124.6
130E30Very low32.1Very low173 Ų173129.3 Ų129.381%0.80877%0.773SS**  66.3165.4124.3-60.5152.27700119.4
131V30.3Very low33.8Very low141 Ų141128.9 Ų128.986%0.85577%0.767SS**  cis-127.7175.35.6-175.10000110.6
132A32.2Very low35.7Very low80 Ų80131.5 Ų131.566%0.66177%0.766SS**  trans-71.2155-176.400000118.8
133S28.7Very low37.4Very low115 Ų115127.7 Ų127.780%0.80474%0.74SS**  trans-162.7113.8134.4-81.50000111.1T135S133-T135 PolarHBondContact O-N 2.79Å
134N40.3Very low39.6Very low172 Ų172125.6 Ų125.692%0.9272%0.723SS**  trans-80.3100.9178.6-79.72.9000111.3
135T33.4Very low41.9Very low114 Ų114126.8 Ų126.870%0.69973%0.726SS**  trans-117.5136.7159-53.30000107.7S133 T137S133-T135 PolarHBondContact O-N 2.79Å; T135-T137 VanDerWaalsContact C-N 3.26Å; T135-T137 PolarHBondContact O-N 2.81Å
136F40.8Very low44.4Very low214 Ų214118.8 Ų118.894%0.93969%0.693SS**  trans-67.479.3178.7-97.8-100.7000111.3T138F136-T138 PolarHBondContact O-N 2.64Å
137T35.9Very low46.9Very low121 Ų121120.5 Ų120.574%0.74271%0.705SS**  trans-86.1102.1161.940.40000108.5T135 A139T135-T137 VanDerWaalsContact C-N 3.26Å; T135-T137 PolarHBondContact O-N 2.81Å; T137-A139 VanDerWaalsContact C-N 3.29Å; T137-A139 PolarHBondContact O-N 2.72Å
138T39.4Very low49.8Very low130 Ų130114.1 Ų114.180%0.79868%0.677SS**  trans-61.297160.943.90000108F136 S140F136-T138 PolarHBondContact O-N 2.64Å; T138-S140 PolarHBondContact O-N 3.07Å
139A45.3Very low52.9Low96 Ų96111.7 Ų111.779%0.79367%0.666SS**  trans-70.372.8179.500000111T137T137-A139 VanDerWaalsContact C-N 3.29Å; T137-A139 PolarHBondContact O-N 2.72Å
140S50.9Low55.9Low58 Ų58110.3 Ų110.341%0.40665%0.65SS.*PPolyproline II helixtrans-57.1136.3153.2-166.80000107.2T138 R142 Q181T138-S140 PolarHBondContact O-N 3.07Å; S140-R142 PolarHBondContact O-N 3.09Å; S140-R142 VanDerWaalsContact O-N 3.1Å; S140-Q181 PolarHBondContact OG-OE1 2.71Å
141P60.9Low58.9Low111 Ų111103 Ų10372%0.72162%0.615SS**PPolyproline II helixtrans-60.4119.9-179.623.8-33000110A143P141-A143 PolarHBondContact O-N 3.12Å
142R65.8Low61.8Low206 Ų206100.6 Ų100.678%0.77760%0.597SS**PPolyproline II helixtrans-53.1128.3-178.8-156.1177.5-162.8-166.31.1109.8S140 E177S140-R142 PolarHBondContact O-N 3.09Å; S140-R142 VanDerWaalsContact O-N 3.1Å; R142-E177 WeakPolarHBondContact CA-OE1 3.37Å; R142-E177 WeakPolarHBondContact CG-OE1 3.49Å
143A63.8Low64.7Low17 Ų17101.6 Ų101.614%0.1459%0.587CS.*PPolyproline II helixtrans-57.6128.3-173.300000111P141 T145 A180 Q181P141-A143 PolarHBondContact O-N 3.12Å; A143-T145 PolarHBondContact O-N 3.4Å; A143-A180 HydrophobicContact CB-CB 3.52Å; A143-Q181 HydrophobicContact CB-CG 3.87Å
144P72.4Confident67.8Low72 Ų7296.8 Ų96.847%0.46855%0.553SS.*PPolyproline II helixtrans-60.9137.1-17924.6-33.7000110.5T146 R155 E184P144-T146 PolarHBondContact O-N 2.92Å; P144-R155 PolarHBondContact O-NH1 2.99Å; P144-R155 PolarHBondContact O-NH2 3.25Å; P144-R155 VanDerWaalsContact O-NH2 3.11Å; P144-E184 HydrophobicContact CG-CG 4.01Å
145T74.4Confident70.4Confident143 Ų14389.9 Ų89.988%0.87751%0.514SS*.PPolyproline II helixtrans-64.3126.3177.143.30000109.9A143A143-T145 PolarHBondContact O-N 3.4Å
146T80.1Confident73.3Confident20 Ų2089.7 Ų89.712%0.12351%0.505CS..PPolyproline II helixtrans-102.1139.8-179.9-170.40000110.6P144 R151 L152P144-T146 PolarHBondContact O-N 2.92Å; T146-R151 HydrophobicContact CG2-CB 3.78Å; T146-R151 PolarHBondContact OG1-NH1 3.32Å; T146-L152 HydrophobicContact CG2-CD2 3.77Å; T146-L152 HydrophobicContact CG2-CG 3.96Å; T146-L152 WeakPolarHBondContact O-CD2 3.41Å
147S81.1Confident75.9Confident125 Ų12583.6 Ų83.687%0.87448%0.481SS*.  trans-93.6-9.1176.752.30000113.5
148D88.4Confident78.6Confident54 Ų5477.9 Ų77.929%0.28945%0.445SS..  trans-79.9125.9-178.4178.6-76.6000111.2I150 R151 L152D148-I150 VanDerWaalsContact C-N 3.32Å; D148-I150 PolarHBondContact O-N 3.12Å; D148-I150 VanDerWaalsContact OD1-CA 3.3Å; D148-I150 WeakPolarHBondContact OD1-CA 3.38Å; D148-I150 VanDerWaalsContact OD1-CB 3.24Å; D148-I150 WeakPolarHBondContact OD1-CB 3.41Å; D148-I150 PolarHBondContact OD1-N 2.91Å; D148-R151 HydrophobicContact CB-CB 4.05Å; D148-R151 HydrophobicContact CB-CG 3.88Å; D148-R151 PolarHBondContact O-N 2.94Å; D148-R151 WeakPolarHBondContact OD1-CG 3.42Å; D148-R151 PolarHBondContact OD1-N 3.35Å; D148-L152 WeakPolarHBondContact O-CG 3.22Å; D148-L152 PolarHBondContact O-N 3.16Å
149S88.8Confident81.2Confident91 Ų9172 Ų7264%0.63641%0.41SS*.Hα-helixtrans-67.4-27.9-175.559.50000113.9K153S149-K153 PolarHBondContact O-N 3.36Å; S149-K153 VanDerWaalsContact O-N 3.12Å
150I90.5Very high83.5Confident63 Ų6370.3 Ų70.332%0.32339%0.392SS..Hα-helixtrans-73.6-43.7175.2-54.8177.1000109.3D148 K153 C154D148-I150 VanDerWaalsContact C-N 3.32Å; D148-I150 PolarHBondContact O-N 3.12Å; D148-I150 VanDerWaalsContact OD1-CA 3.3Å; D148-I150 WeakPolarHBondContact OD1-CA 3.38Å; D148-I150 VanDerWaalsContact OD1-CB 3.24Å; D148-I150 WeakPolarHBondContact OD1-CB 3.41Å; D148-I150 PolarHBondContact OD1-N 2.91Å; I150-K153 PolarHBondContact O-N 2.99Å; I150-C154 WeakPolarHBondContact O-CB 3.26Å; I150-C154 PolarHBondContact O-N 3.27Å; I150-C154 PolarHBondContact O-SG 3.45Å
151R92.5Very high85.4Confident21 Ų2167.5 Ų67.58%0.07937%0.373CS..Hα-helixtrans-62.7-46.5175.9-64.2-172.966.9-160.6-9.5111.1T146 D148 K153 C154 R155 E183 E184 F187 T193T146-R151 HydrophobicContact CG2-CB 3.78Å; T146-R151 PolarHBondContact OG1-NH1 3.32Å; D148-R151 HydrophobicContact CB-CB 4.05Å; D148-R151 HydrophobicContact CB-CG 3.88Å; D148-R151 PolarHBondContact O-N 2.94Å; D148-R151 WeakPolarHBondContact OD1-CG 3.42Å; D148-R151 PolarHBondContact OD1-N 3.35Å; R151-K153 VanDerWaalsContact C-N 3.35Å; R151-K153 PolarHBondContact O-N 3.07Å; R151-C154 WeakPolarHBondContact O-CB 3.42Å; R151-C154 PolarHBondContact O-N 3.28Å; R151-C154 VanDerWaalsContact O-N 3.09Å; R151-R155 WeakPolarHBondContact O-CG 3.44Å; R151-R155 PolarHBondContact O-N 3Å; R151-E183 IonicContact CZ-OE1 2.73Å; R151-E183 IonicContact CZ-OE2 2.69Å; R151-E183 IonicContact NE-OE1 3.64Å; R151-E183 PolarHBondContact NE-OE1 3.38Å; R151-E183 IonicContact NE-OE2 3.34Å; R151-E183 VanDerWaalsContact NH2-CD 3.31Å; R151-E183 IonicContact NH2-OE1 2.87Å; R151-E183 PolarHBondContact NH2-OE1 3.14Å; R151-E183 IonicContact NH2-OE2 3.2Å; R151-E183 PolarHBondContact NH2-OE2 2.78Å; R151-E184 IonicContact CZ-OE2 3.65Å; R151-E184 IonicContact NH1-OE2 2.7Å; R151-E184 IonicContact NH2-OE2 3.71Å; R151-E184 PolarHBondContact NH2-OE2 2.81Å; R151-F187 HydrophobicContact CG-CD2 4.48Å; R151-T193 HydrophobicContact CG-CG2 3.9Å
152L92.3Very high86.8Confident89 Ų8962.2 Ų62.247%0.46634%0.339SS..Hα-helixtrans-54.9-47.8173.2-72.5173.4000111.8T146 D148 C154 R155 E156T146-L152 HydrophobicContact CG2-CD2 3.77Å; T146-L152 HydrophobicContact CG2-CG 3.96Å; T146-L152 WeakPolarHBondContact O-CD2 3.41Å; D148-L152 WeakPolarHBondContact O-CG 3.22Å; D148-L152 PolarHBondContact O-N 3.16Å; L152-C154 VanDerWaalsContact C-N 3.31Å; L152-C154 PolarHBondContact O-N 2.93Å; L152-R155 WeakPolarHBondContact O-CB 3.29Å; L152-R155 PolarHBondContact O-N 2.85Å; L152-E156 PolarHBondContact O-N 3.35Å
153K93.5Very high88Confident102 Ų10256.8 Ų56.844%0.44332%0.322SS..Hα-helixtrans-65.8-33177.3-166.852.1163.6-175.30113S149 I150 R151 E156 M157S149-K153 PolarHBondContact O-N 3.36Å; S149-K153 VanDerWaalsContact O-N 3.12Å; I150-K153 PolarHBondContact O-N 2.99Å; R151-K153 VanDerWaalsContact C-N 3.35Å; R151-K153 PolarHBondContact O-N 3.07Å; K153-E156 HydrophobicContact CD-CB 4.46Å; K153-E156 WeakPolarHBondContact CD-OE2 3.44Å; K153-E156 WeakPolarHBondContact CE-OE2 3.23Å; K153-E156 IonicContact NZ-OE1 3.82Å; K153-E156 PolarHBondContact NZ-OE1 3.36Å; K153-E156 IonicContact NZ-OE2 3.41Å; K153-E156 PolarHBondContact NZ-OE2 3.42Å; K153-M157 HydrophobicContact CG-SD 4.38Å; K153-M157 WeakPolarHBondContact O-CB 3.33Å; K153-M157 VanDerWaalsContact O-CG 3.23Å; K153-M157 WeakPolarHBondContact O-CG 3.46Å; K153-M157 PolarHBondContact O-N 3.05Å
154C93.7Very high89Confident14 Ų1457.5 Ų57.510%0.09532%0.324CS..Hα-helixtrans-65-41.7173.2-69.50000112I150 R151 L152 M157 L158 E183 Y197 V201I150-C154 WeakPolarHBondContact O-CB 3.26Å; I150-C154 PolarHBondContact O-N 3.27Å; I150-C154 PolarHBondContact O-SG 3.45Å; R151-C154 WeakPolarHBondContact O-CB 3.42Å; R151-C154 PolarHBondContact O-N 3.28Å; R151-C154 VanDerWaalsContact O-N 3.09Å; L152-C154 VanDerWaalsContact C-N 3.31Å; L152-C154 PolarHBondContact O-N 2.93Å; C154-M157 PolarHBondContact O-N 3.19Å; C154-L158 WeakPolarHBondContact O-CB 3.45Å; C154-L158 WeakPolarHBondContact O-CG 3.41Å; C154-L158 PolarHBondContact O-N 3.05Å; C154-E183 HydrophobicContact CB-CG 4.19Å; C154-Y197 WeakPolarHBondContact CB-OH 3.42Å; C154-V201 HydrophobicContact CB-CG1 3.95Å; C154-V201 HydrophobicContact CB-CG2 4.45Å
155R94.4Very high89.3Confident26 Ų2656.3 Ų56.310%0.09833%0.326CS..Hα-helixtrans-61.3-49.5174.8-67.2-177.8178.2-166.4-0.1111.6P144 R151 L152 M157 L158 A159 A180 E183 E184P144-R155 PolarHBondContact O-NH1 2.99Å; P144-R155 PolarHBondContact O-NH2 3.25Å; P144-R155 VanDerWaalsContact O-NH2 3.11Å; R151-R155 WeakPolarHBondContact O-CG 3.44Å; R151-R155 PolarHBondContact O-N 3Å; L152-R155 WeakPolarHBondContact O-CB 3.29Å; L152-R155 PolarHBondContact O-N 2.85Å; R155-M157 VanDerWaalsContact C-N 3.33Å; R155-M157 PolarHBondContact O-N 3.4Å; R155-L158 PolarHBondContact O-N 2.89Å; R155-L158 VanDerWaalsContact O-N 3.11Å; R155-A159 PolarHBondContact O-N 3.08Å; R155-A180 HydrophobicContact CG-CB 4.37Å; R155-E183 HydrophobicContact CG-CB 3.68Å; R155-E183 HydrophobicContact CG-CG 3.73Å; R155-E183 IonicContact CZ-OE2 2.71Å; R155-E183 VanDerWaalsContact CZ-OE2 3.27Å; R155-E183 IonicContact NE-OE2 2.73Å; R155-E183 PolarHBondContact NE-OE2 3.33Å; R155-E183 IonicContact NH2-OE2 3.38Å; R155-E183 PolarHBondContact NH2-OE2 2.83Å; R155-E184 IonicContact NH2-OE2 2.64Å; R155-E184 PolarHBondContact NH2-OE2 3.3Å
156E94.4Very high89.5Confident110 Ų11056 Ų5651%0.51431%0.314SS..Hα-helixtrans-56.5-45.4176.9-169-154.5131.100111.7L152 K153 L158 A159 S160L152-E156 PolarHBondContact O-N 3.35Å; K153-E156 HydrophobicContact CD-CB 4.46Å; K153-E156 WeakPolarHBondContact CD-OE2 3.44Å; K153-E156 WeakPolarHBondContact CE-OE2 3.23Å; K153-E156 IonicContact NZ-OE1 3.82Å; K153-E156 PolarHBondContact NZ-OE1 3.36Å; K153-E156 IonicContact NZ-OE2 3.41Å; K153-E156 PolarHBondContact NZ-OE2 3.42Å; E156-L158 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 3.17Å; E156-A159 PolarHBondContact O-N 3.25Å; E156-S160 WeakPolarHBondContact O-CB 3.14Å; E156-S160 PolarHBondContact O-N 2.94Å
157M94.4Very high89.5Confident87 Ų8755.8 Ų55.843%0.42931%0.312SS..Hα-helixtrans-68.3-30177.9-70.2-179.975.100113.5K153 C154 R155 A161 I205K153-M157 HydrophobicContact CG-SD 4.38Å; K153-M157 WeakPolarHBondContact O-CB 3.33Å; K153-M157 VanDerWaalsContact O-CG 3.23Å; K153-M157 WeakPolarHBondContact O-CG 3.46Å; K153-M157 PolarHBondContact O-N 3.05Å; C154-M157 PolarHBondContact O-N 3.19Å; R155-M157 VanDerWaalsContact C-N 3.33Å; R155-M157 PolarHBondContact O-N 3.4Å; M157-A161 WeakPolarHBondContact O-CB 3.4Å; M157-A161 PolarHBondContact O-N 3.39Å; M157-I205 HydrophobicContact CB-CD1 3.67Å; M157-I205 HydrophobicContact CE-CD1 4.22Å
158L94.2Very high89.4Confident0 Ų051.7 Ų51.70%028%0.279CS..Hα-helixtrans-73.2-42.3173.1-76.5163.5000111.4C154 R155 E156 A161 L162 I182 E183 V201 R204 I205 L208C154-L158 WeakPolarHBondContact O-CB 3.45Å; C154-L158 WeakPolarHBondContact O-CG 3.41Å; C154-L158 PolarHBondContact O-N 3.05Å; R155-L158 PolarHBondContact O-N 2.89Å; R155-L158 VanDerWaalsContact O-N 3.11Å; E156-L158 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 3.17Å; L158-A161 WeakPolarHBondContact O-CB 3.44Å; L158-A161 PolarHBondContact O-N 2.97Å; L158-A161 VanDerWaalsContact O-N 3.14Å; L158-L162 WeakPolarHBondContact O-CG 3.43Å; L158-L162 PolarHBondContact O-N 2.88Å; L158-I182 HydrophobicContact CD1-CG2 4.3Å; L158-I182 HydrophobicContact CD2-CG2 4.4Å; L158-E183 HydrophobicContact CD1-CB 3.88Å; L158-V201 HydrophobicContact CD1-CG1 4.26Å; L158-V201 HydrophobicContact CG-CG1 4.31Å; L158-R204 HydrophobicContact CD2-CB 3.9Å; L158-I205 HydrophobicContact CD2-CG1 3.81Å; L158-I205 HydrophobicContact CG-CG1 4.18Å; L158-L208 HydrophobicContact CD2-CD1 4.37Å
159A93.2Very high89Confident7 Ų754.4 Ų54.46%0.05829%0.293CS..Hα-helixtrans-60.3-46.5174.800000111.5R155 E156 A161 L162 Q163 C175R155-A159 PolarHBondContact O-N 3.08Å; E156-A159 PolarHBondContact O-N 3.25Å; A159-A161 VanDerWaalsContact C-N 3.27Å; A159-A161 PolarHBondContact O-N 3.31Å; A159-L162 PolarHBondContact O-N 3.1Å; A159-L162 VanDerWaalsContact O-N 3.1Å; A159-Q163 WeakPolarHBondContact O-CG 3.46Å; A159-Q163 PolarHBondContact O-N 3.09Å; A159-C175 WeakPolarHBondContact CA-O 3.44Å; A159-C175 WeakPolarHBondContact CB-O 3.49Å
160S93.2Very high88.4Confident60 Ų6054.7 Ų54.742%0.4230%0.301SS..Hα-helixtrans-60.6-33.5173.7179.30000113E156 T164E156-S160 WeakPolarHBondContact O-CB 3.14Å; E156-S160 PolarHBondContact O-N 2.94Å; S160-T164 PolarHBondContact O-N 3.17Å; S160-T164 PolarHBondContact O-OG1 3.48Å
161A92.4Very high87.9Confident0 Ų055 Ų550%030%0.302CS..Hα-helixtrans-68.5-38.3173.900000112.5M157 L158 A159 T164 I205 L208 K209M157-A161 WeakPolarHBondContact O-CB 3.4Å; M157-A161 PolarHBondContact O-N 3.39Å; L158-A161 WeakPolarHBondContact O-CB 3.44Å; L158-A161 PolarHBondContact O-N 2.97Å; L158-A161 VanDerWaalsContact O-N 3.14Å; A159-A161 VanDerWaalsContact C-N 3.27Å; A159-A161 PolarHBondContact O-N 3.31Å; A161-T164 WeakPolarHBondContact O-CB 3.47Å; A161-T164 PolarHBondContact O-N 2.69Å; A161-T164 PolarHBondContact O-OG1 3.2Å; A161-I205 HydrophobicContact CB-CB 4.48Å; A161-I205 HydrophobicContact CB-CG1 4.47Å; A161-I205 HydrophobicContact CB-CG2 4.22Å; A161-L208 HydrophobicContact CB-CB 3.96Å; A161-L208 HydrophobicContact CB-CD1 4.4Å; A161-K209 HydrophobicContact CB-CD 4.19Å; A161-K209 HydrophobicContact CB-CG 3.74Å
162L90.4Very high87.3Confident0 Ų057.2 Ų57.20%033%0.332CS..Hα-helixtrans-70.9-31175.3-69.7169000112.9L158 A159 T164 C175 L178 I182 L208 R217 V220 L221L158-L162 WeakPolarHBondContact O-CG 3.43Å; L158-L162 PolarHBondContact O-N 2.88Å; A159-L162 PolarHBondContact O-N 3.1Å; A159-L162 VanDerWaalsContact O-N 3.1Å; L162-T164 VanDerWaalsContact C-N 3.26Å; L162-T164 PolarHBondContact O-N 3.18Å; L162-C175 HydrophobicContact CB-CB 4Å; L162-L178 HydrophobicContact CD1-CB 3.73Å; L162-I182 HydrophobicContact CD1-CD1 4.43Å; L162-L208 HydrophobicContact CD2-CD1 3.95Å; L162-L208 HydrophobicContact CD2-CD2 3.91Å; L162-L208 HydrophobicContact CD2-CG 4.46Å; L162-L208 HydrophobicContact CG-CD1 4.19Å; L162-R217 WeakPolarHBondContact O-CD 3.27Å; L162-V220 HydrophobicContact CD2-CG1 4.04Å; L162-L221 HydrophobicContact CB-CD2 4.39Å; L162-L221 HydrophobicContact CD2-CD2 4.37Å
163Q89.9Confident86.8Confident91 Ų9154 Ų5443%0.42532%0.318SS..Hα-helixtrans-73.2-15.4176.1-71.5167.5-8.100114A159 G165 E166 C175A159-Q163 WeakPolarHBondContact O-CG 3.46Å; A159-Q163 PolarHBondContact O-N 3.09Å; Q163-G165 PolarHBondContact O-N 3.19Å; Q163-E166 PolarHBondContact O-N 2.97Å; Q163-E166 VanDerWaalsContact O-N 3.17Å; Q163-C175 HydrophobicContact CG-CB 3.83Å
164T85.4Confident86.5Confident32 Ų3253.4 Ų53.420%0.19632%0.32CS..THydrogen-bonded Turntrans-56.9124.9-178.2-64.10000110.6S160 A161 L162 M211 R217S160-T164 PolarHBondContact O-N 3.17Å; S160-T164 PolarHBondContact O-OG1 3.48Å; A161-T164 WeakPolarHBondContact O-CB 3.47Å; A161-T164 PolarHBondContact O-N 2.69Å; A161-T164 PolarHBondContact O-OG1 3.2Å; L162-T164 VanDerWaalsContact C-N 3.26Å; L162-T164 PolarHBondContact O-N 3.18Å; T164-M211 HydrophobicContact CG2-SD 4.01Å; T164-R217 WeakPolarHBondContact O-CD 3.43Å; T164-R217 PolarHBondContact O-NE 3.23Å; T164-R217 PolarHBondContact O-NH1 3.01Å; T164-R217 PolarHBondContact O-NH2 2.92Å
165G78.1Confident86.3Confident48 Ų4852.9 Ų52.950%0.49532%0.316SS..THydrogen-bonded Turntrans76.314.5177.700000115.8Q163 D167Q163-G165 PolarHBondContact O-N 3.19Å; G165-D167 PolarHBondContact O-N 3.1Å
166E79.6Confident86.1Confident136 Ų13658.7 Ų58.764%0.63635%0.345SS*.SBendtrans60.43.4167.4-65.9179.3-167.800117.3Q163 H168 I169Q163-E166 PolarHBondContact O-N 2.97Å; Q163-E166 VanDerWaalsContact O-N 3.17Å; E166-H168 PolarHBondContact O-N 3.38Å; E166-I169 HydrophobicContact CB-CD1 3.99Å; E166-I169 HydrophobicContact CB-CG1 4.42Å; E166-I169 HydrophobicContact CG-CD1 4Å; E166-I169 WeakPolarHBondContact O-CB 3.44Å; E166-I169 PolarHBondContact O-N 3.03Å
167D79.3Confident85.9Confident15 Ų1555.9 Ų55.98%0.0833%0.332CS..Hα-helixtrans-52.6-29.6177-63.4-63.8000113.2G165 I169 A170 I171 R217 R218 L221G165-D167 PolarHBondContact O-N 3.1Å; D167-I169 VanDerWaalsContact C-N 3.3Å; D167-I169 PolarHBondContact O-N 2.98Å; D167-A170 PolarHBondContact O-N 3.3Å; D167-I171 WeakPolarHBondContact O-CG1 3.29Å; D167-I171 PolarHBondContact O-N 3.46Å; D167-R217 IonicContact OD2-CZ 2.74Å; D167-R217 VanDerWaalsContact OD2-CZ 3.24Å; D167-R217 IonicContact OD2-NE 3.07Å; D167-R217 PolarHBondContact OD2-NE 3.47Å; D167-R217 IonicContact OD2-NH2 3.33Å; D167-R217 PolarHBondContact OD2-NH2 3.03Å; D167-R218 HydrophobicContact CB-CG 4.13Å; D167-R218 IonicContact OD1-CZ 3.19Å; D167-R218 IonicContact OD1-NE 2.73Å; D167-R218 PolarHBondContact OD1-NE 3.13Å; D167-R218 IonicContact OD1-NH2 2.68Å; D167-R218 PolarHBondContact OD1-NH2 2.92Å; D167-R218 IonicContact OD2-NE 3.98Å; D167-L221 HydrophobicContact CB-CD1 3.85Å
168H79.1Confident85.7Confident39 Ų3953 Ų5318%0.18132%0.318CS..Hα-helixtrans-63.9-30.6177.671.2-76.9000113.7E166 I171 G172 A173 C175 L221E166-H168 PolarHBondContact O-N 3.38Å; H168-I171 PolarHBondContact O-N 3.34Å; H168-G172 PolarHBondContact O-N 2.73Å; H168-A173 PolarHBondContact O-N 3.41Å; H168-C175 WeakPolarHBondContact CB-SG 3.43Å; H168-L221 HydrophobicContact CB-CD1 4.08Å; H168-L221 HydrophobicContact CB-CD2 3.94Å
169I79.9Confident85.6Confident112 Ų11253 Ų5357%0.57432%0.318SS*.Hα-helixtrans-68.7-42.2178.5-53-179.7000109.8E166 D167 I171E166-I169 HydrophobicContact CB-CD1 3.99Å; E166-I169 HydrophobicContact CB-CG1 4.42Å; E166-I169 HydrophobicContact CG-CD1 4Å; E166-I169 WeakPolarHBondContact O-CB 3.44Å; E166-I169 PolarHBondContact O-N 3.03Å; D167-I169 VanDerWaalsContact C-N 3.3Å; D167-I169 PolarHBondContact O-N 2.98Å; I169-I171 VanDerWaalsContact C-N 3.32Å; I169-I171 PolarHBondContact O-N 3.31Å
170A76.2Confident85.6Confident97 Ų9753.2 Ų53.280%0.80232%0.32SS*.Hα-helixtrans-71-26.7178.500000113.3D167D167-A170 PolarHBondContact O-N 3.3Å
171I79.1Confident85.6Confident68 Ų6851.1 Ų51.135%0.34930%0.303SS..Hα-helixtrans-92.4-21.9-179.9-62.8168.8000111.7D167 H168 I169 A173 L221D167-I171 WeakPolarHBondContact O-CG1 3.29Å; D167-I171 PolarHBondContact O-N 3.46Å; H168-I171 PolarHBondContact O-N 3.34Å; I169-I171 VanDerWaalsContact C-N 3.32Å; I169-I171 PolarHBondContact O-N 3.31Å; I171-A173 VanDerWaalsContact C-N 3.31Å; I171-A173 HydrophobicContact CG2-CB 4.07Å; I171-L221 HydrophobicContact CD1-CB 3.57Å; I171-L221 HydrophobicContact CD1-CD1 4.14Å; I171-L221 HydrophobicContact CG2-CB 4.24Å
172G80.1Confident85.6Confident69 Ų6951.1 Ų51.171%0.71130%0.303SS*.THydrogen-bonded Turntrans71.721.9-177.500000114H168H168-G172 PolarHBondContact O-N 2.73Å
173A82.3Confident85.8Confident22 Ų2251.1 Ų51.118%0.18230%0.303CS..  trans-88.8136.7-176.100000112.3H168 I171 C175 L178 L221H168-A173 PolarHBondContact O-N 3.41Å; I171-A173 VanDerWaalsContact C-N 3.31Å; I171-A173 HydrophobicContact CG2-CB 4.07Å; A173-C175 PolarHBondContact O-N 3.17Å; A173-C175 VanDerWaalsContact O-N 3.15Å; A173-L178 HydrophobicContact CB-CD1 4.04Å; A173-L221 HydrophobicContact CB-CB 4.41Å; A173-L221 HydrophobicContact CB-CD2 4.06Å; A173-L221 WeakPolarHBondContact CB-O 3.31Å
174D87.9Confident85.9Confident88 Ų8848 Ų4847%0.47129%0.289SS..  trans-74.3102.6174-173.3-17000110.8E176 E177 L178D174-E176 VanDerWaalsContact C-N 3.3Å; D174-E176 PolarHBondContact O-N 3.22Å; D174-E176 WeakPolarHBondContact OD1-CA 3.49Å; D174-E176 WeakPolarHBondContact OD1-CB 3.26Å; D174-E176 PolarHBondContact OD1-N 3.3Å; D174-E177 HydrophobicContact CB-CB 4.06Å; D174-E177 PolarHBondContact OD1-N 2.79Å; D174-L178 WeakPolarHBondContact O-CB 3.36Å; D174-L178 WeakPolarHBondContact O-CG 3.36Å; D174-L178 PolarHBondContact O-N 3.47Å
175C88.3Confident86.2Confident4 Ų448.9 Ų48.93%0.02729%0.29CS..Hα-helixtrans-64.9-28.8176-71.10000113.8A159 L162 Q163 H168 A173 G179A159-C175 WeakPolarHBondContact CA-O 3.44Å; A159-C175 WeakPolarHBondContact CB-O 3.49Å; L162-C175 HydrophobicContact CB-CB 4Å; Q163-C175 HydrophobicContact CG-CB 3.83Å; H168-C175 WeakPolarHBondContact CB-SG 3.43Å; A173-C175 PolarHBondContact O-N 3.17Å; A173-C175 VanDerWaalsContact O-N 3.15Å; C175-G179 PolarHBondContact O-N 3.47Å
176E89.9Confident86.9Confident148 Ų14846.6 Ų46.669%0.69227%0.267SS*.Hα-helixtrans-75-46.4179.8-172171.5-179.500109.9D174 G179 A180D174-E176 VanDerWaalsContact C-N 3.3Å; D174-E176 PolarHBondContact O-N 3.22Å; D174-E176 WeakPolarHBondContact OD1-CA 3.49Å; D174-E176 WeakPolarHBondContact OD1-CB 3.26Å; D174-E176 PolarHBondContact OD1-N 3.3Å; E176-G179 PolarHBondContact O-N 3.44Å; E176-A180 WeakPolarHBondContact O-CB 3.45Å; E176-A180 PolarHBondContact O-N 2.97Å
177E90.3Very high87.5Confident51 Ų5142.3 Ų42.324%0.23825%0.246CC..Hα-helixtrans-64.4-45.6174179.9160.7-177.500112.1R142 D174 G179 A180 Q181R142-E177 WeakPolarHBondContact CA-OE1 3.37Å; R142-E177 WeakPolarHBondContact CG-OE1 3.49Å; D174-E177 HydrophobicContact CB-CB 4.06Å; D174-E177 PolarHBondContact OD1-N 2.79Å; E177-G179 VanDerWaalsContact C-N 3.34Å; E177-G179 PolarHBondContact O-N 3.29Å; E177-A180 WeakPolarHBondContact O-CB 3.35Å; E177-A180 PolarHBondContact O-N 3.06Å; E177-A180 VanDerWaalsContact O-N 3.16Å; E177-Q181 HydrophobicContact CG-CG 4.35Å; E177-Q181 WeakPolarHBondContact O-CG 3.45Å; E177-Q181 PolarHBondContact O-N 2.85Å; E177-Q181 PolarHBondContact OE1-NE2 3.5Å
178L90.6Very high88.1Confident27 Ų2746 Ų4614%0.14126%0.263CS..Hα-helixtrans-61.4-41.2175.5-76.5172.1000112.1L162 A173 D174 A180 Q181 I182 L221 P227L162-L178 HydrophobicContact CD1-CB 3.73Å; A173-L178 HydrophobicContact CB-CD1 4.04Å; D174-L178 WeakPolarHBondContact O-CB 3.36Å; D174-L178 WeakPolarHBondContact O-CG 3.36Å; D174-L178 PolarHBondContact O-N 3.47Å; L178-A180 VanDerWaalsContact C-N 3.31Å; L178-A180 PolarHBondContact O-N 2.8Å; L178-Q181 PolarHBondContact O-N 3.46Å; L178-I182 VanDerWaalsContact O-CG1 3.28Å; L178-I182 WeakPolarHBondContact O-CG1 3.37Å; L178-I182 PolarHBondContact O-N 2.9Å; L178-L221 HydrophobicContact CD1-CD2 4.09Å; L178-P227 HydrophobicContact CD2-CG 4.08Å
179G92.7Very high88.5Confident0 Ų048.3 Ų48.30%027%0.274CS..Hα-helixtrans-61-39.5174.300000112.4C175 E176 E177 E183C175-G179 PolarHBondContact O-N 3.47Å; E176-G179 PolarHBondContact O-N 3.44Å; E177-G179 VanDerWaalsContact C-N 3.34Å; E177-G179 PolarHBondContact O-N 3.29Å; G179-E183 WeakPolarHBondContact O-CB 3.46Å; G179-E183 PolarHBondContact O-N 3.14Å
180A92.9Very high88.9Confident11 Ų1145.7 Ų45.79%0.09126%0.258CS..Hα-helixtrans-68.6-42175.300000113.2A143 R155 E176 E177 L178 E183 E184A143-A180 HydrophobicContact CB-CB 3.52Å; R155-A180 HydrophobicContact CG-CB 4.37Å; E176-A180 WeakPolarHBondContact O-CB 3.45Å; E176-A180 PolarHBondContact O-N 2.97Å; E177-A180 WeakPolarHBondContact O-CB 3.35Å; E177-A180 PolarHBondContact O-N 3.06Å; E177-A180 VanDerWaalsContact O-N 3.16Å; L178-A180 VanDerWaalsContact C-N 3.31Å; L178-A180 PolarHBondContact O-N 2.8Å; A180-E183 PolarHBondContact O-N 3.2Å; A180-E184 VanDerWaalsContact O-CB 3.3Å; A180-E184 WeakPolarHBondContact O-CB 3.36Å; A180-E184 PolarHBondContact O-N 3.04Å
181Q92.4Very high89.5Confident16 Ų1649.1 Ų49.18%0.07526%0.255CS..Hα-helixtrans-65.2-41.7176.4-68.6-176.926.200111.5S140 A143 E177 L178 E184 H185 P227S140-Q181 PolarHBondContact OG-OE1 2.71Å; A143-Q181 HydrophobicContact CB-CG 3.87Å; E177-Q181 HydrophobicContact CG-CG 4.35Å; E177-Q181 WeakPolarHBondContact O-CG 3.45Å; E177-Q181 PolarHBondContact O-N 2.85Å; E177-Q181 PolarHBondContact OE1-NE2 3.5Å; L178-Q181 PolarHBondContact O-N 3.46Å; Q181-E184 PolarHBondContact O-N 2.99Å; Q181-H185 PolarHBondContact O-CD2 3.3Å; Q181-H185 PolarHBondContact O-N 2.97Å; Q181-H185 VanDerWaalsContact O-N 3.14Å; Q181-P227 HydrophobicContact CB-CB 3.81Å; Q181-P227 HydrophobicContact CB-CG 4Å
182I92.9Very high90Very high0 Ų050.5 Ų50.50%026%0.263CS..Hα-helixtrans-64.2-45.1175.8-67.1165.7000111L158 L162 L178 I186 V220 P227 M230L158-I182 HydrophobicContact CD1-CG2 4.3Å; L158-I182 HydrophobicContact CD2-CG2 4.4Å; L162-I182 HydrophobicContact CD1-CD1 4.43Å; L178-I182 VanDerWaalsContact O-CG1 3.28Å; L178-I182 WeakPolarHBondContact O-CG1 3.37Å; L178-I182 PolarHBondContact O-N 2.9Å; I182-I186 HydrophobicContact CG2-CD1 3.97Å; I182-I186 VanDerWaalsContact O-CG1 3.3Å; I182-I186 WeakPolarHBondContact O-CG1 3.41Å; I182-I186 PolarHBondContact O-N 3.37Å; I182-I186 VanDerWaalsContact O-N 3.15Å; I182-V220 HydrophobicContact CD1-CG1 4.35Å; I182-P227 HydrophobicContact CG1-CB 3.9Å; I182-M230 HydrophobicContact CD1-CG 3.91Å; I182-M230 HydrophobicContact CG1-CB 4.42Å; I182-M230 HydrophobicContact CG1-CG 4.13Å; I182-M230 HydrophobicContact CG2-CG 4.19Å
183E94.6Very high90.4Very high0 Ų048.6 Ų48.60%024%0.238CC..Hα-helixtrans-61.6-45.1177.6-174.2-81.4145.300111.8R151 C154 R155 L158 G179 A180 H185 I186 F187 Y197R151-E183 IonicContact CZ-OE1 2.73Å; R151-E183 IonicContact CZ-OE2 2.69Å; R151-E183 IonicContact NE-OE1 3.64Å; R151-E183 PolarHBondContact NE-OE1 3.38Å; R151-E183 IonicContact NE-OE2 3.34Å; R151-E183 VanDerWaalsContact NH2-CD 3.31Å; R151-E183 IonicContact NH2-OE1 2.87Å; R151-E183 PolarHBondContact NH2-OE1 3.14Å; R151-E183 IonicContact NH2-OE2 3.2Å; R151-E183 PolarHBondContact NH2-OE2 2.78Å; C154-E183 HydrophobicContact CB-CG 4.19Å; R155-E183 HydrophobicContact CG-CB 3.68Å; R155-E183 HydrophobicContact CG-CG 3.73Å; R155-E183 IonicContact CZ-OE2 2.71Å; R155-E183 VanDerWaalsContact CZ-OE2 3.27Å; R155-E183 IonicContact NE-OE2 2.73Å; R155-E183 PolarHBondContact NE-OE2 3.33Å; R155-E183 IonicContact NH2-OE2 3.38Å; R155-E183 PolarHBondContact NH2-OE2 2.83Å; L158-E183 HydrophobicContact CD1-CB 3.88Å; G179-E183 WeakPolarHBondContact O-CB 3.46Å; G179-E183 PolarHBondContact O-N 3.14Å; A180-E183 PolarHBondContact O-N 3.2Å; E183-H185 PolarHBondContact O-N 3.26Å; E183-I186 PolarHBondContact O-N 3.22Å; E183-I186 VanDerWaalsContact O-N 3.17Å; E183-F187 PolarHBondContact O-N 2.96Å; E183-Y197 WeakPolarHBondContact CG-OH 3.34Å; E183-Y197 PolarHBondContact OE1-OH 2.78Å
184E92.6Very high90.8Very high26 Ų2651.1 Ų51.112%0.12125%0.248CC..Hα-helixtrans-60.7-44.9-179.6178.558.6-145.300111.5P144 R151 R155 A180 Q181 I186 F187 Q188P144-E184 HydrophobicContact CG-CG 4.01Å; R151-E184 IonicContact CZ-OE2 3.65Å; R151-E184 IonicContact NH1-OE2 2.7Å; R151-E184 IonicContact NH2-OE2 3.71Å; R151-E184 PolarHBondContact NH2-OE2 2.81Å; R155-E184 IonicContact NH2-OE2 2.64Å; R155-E184 PolarHBondContact NH2-OE2 3.3Å; A180-E184 VanDerWaalsContact O-CB 3.3Å; A180-E184 WeakPolarHBondContact O-CB 3.36Å; A180-E184 PolarHBondContact O-N 3.04Å; Q181-E184 PolarHBondContact O-N 2.99Å; E184-I186 VanDerWaalsContact C-N 3.34Å; E184-I186 PolarHBondContact O-N 3.49Å; E184-F187 CarbonylContact O-C 3.47Å; E184-F187 PolarHBondContact O-N 3.29Å; E184-F187 VanDerWaalsContact O-N 3.13Å; E184-Q188 VanDerWaalsContact O-CG 3.3Å; E184-Q188 WeakPolarHBondContact O-CG 3.41Å; E184-Q188 PolarHBondContact O-N 3.19Å; E184-Q188 PolarHBondContact OE1-NE2 3.14Å
185H92.3Very high90.9Very high49 Ų4952.4 Ų52.423%0.22725%0.253CS..Hα-helixtrans-66.3-32.6175.6-73.1-56.9000113.5Q181 E183 Q188 E189 E228 A231Q181-H185 PolarHBondContact O-CD2 3.3Å; Q181-H185 PolarHBondContact O-N 2.97Å; Q181-H185 VanDerWaalsContact O-N 3.14Å; E183-H185 PolarHBondContact O-N 3.26Å; H185-Q188 PolarHBondContact ND1-OE1 3.14Å; H185-E189 PolarHBondContact O-N 3.42Å; H185-E228 PolarHBondContact CD2-N 3.15Å; H185-A231 HydrophobicContact CB-CB 3.42Å; H185-A231 VanDerWaalsContact CB-CB 3.42Å
186I91.9Very high91Very high0 Ų059 Ų590%028%0.281CS..Hα-helixtrans-66.9-41.2171-64166.6000109.8I182 E183 E184 E189 F190 Y197 R200 V201 R204 A231I182-I186 HydrophobicContact CG2-CD1 3.97Å; I182-I186 VanDerWaalsContact O-CG1 3.3Å; I182-I186 WeakPolarHBondContact O-CG1 3.41Å; I182-I186 PolarHBondContact O-N 3.37Å; I182-I186 VanDerWaalsContact O-N 3.15Å; E183-I186 PolarHBondContact O-N 3.22Å; E183-I186 VanDerWaalsContact O-N 3.17Å; E184-I186 VanDerWaalsContact C-N 3.34Å; E184-I186 PolarHBondContact O-N 3.49Å; I186-E189 PolarHBondContact O-N 3.49Å; I186-F190 HydrophobicContact CG2-CD2 3.98Å; I186-F190 HydrophobicContact CG2-CE2 4.14Å; I186-F190 WeakPolarHBondContact O-CD2 3.49Å; I186-F190 PolarHBondContact O-N 3.23Å; I186-Y197 HydrophobicContact CG2-CD2 3.7Å; I186-Y197 HydrophobicContact CG2-CE2 3.97Å; I186-R200 HydrophobicContact CD1-CG 4.17Å; I186-R200 HydrophobicContact CG1-CG 4.14Å; I186-R200 HydrophobicContact CG2-CB 4.08Å; I186-R200 HydrophobicContact CG2-CG 3.8Å; I186-V201 HydrophobicContact CD1-CG2 4.13Å; I186-V201 HydrophobicContact CG2-CG2 4.23Å; I186-R204 HydrophobicContact CD1-CG 4Å; I186-A231 HydrophobicContact CG1-CB 3.69Å
187F92.3Very high91.2Very high46 Ų4651.9 Ų51.920%0.20225%0.248CC..Hα-helixtrans-66.2-36.8176.9-172.3-98.4000112.3R151 E183 E184 E189 F190 K191 T193 Y197R151-F187 HydrophobicContact CG-CD2 4.48Å; E183-F187 PolarHBondContact O-N 2.96Å; E184-F187 CarbonylContact O-C 3.47Å; E184-F187 PolarHBondContact O-N 3.29Å; E184-F187 VanDerWaalsContact O-N 3.13Å; F187-E189 VanDerWaalsContact C-N 3.28Å; F187-E189 PolarHBondContact O-N 3.1Å; F187-F190 PolarHBondContact O-N 3.18Å; F187-K191 VanDerWaalsContact O-CA 3.22Å; F187-K191 WeakPolarHBondContact O-CA 3.41Å; F187-K191 PolarHBondContact O-N 3.41Å; F187-T193 HydrophobicContact CE2-CG2 4.26Å; F187-Y197 HydrophobicContact CB-CE2 4.15Å; F187-Y197 HydrophobicContact CD2-CD2 4.47Å; F187-Y197 HydrophobicContact CD2-CE2 4.23Å
188Q91.1Very high91.3Very high94 Ų9452.4 Ų52.444%0.43925%0.249SC..Hα-helixtrans-62.7-32.7175.6-73.6168.46.800113.1E184 H185E184-Q188 VanDerWaalsContact O-CG 3.3Å; E184-Q188 WeakPolarHBondContact O-CG 3.41Å; E184-Q188 PolarHBondContact O-N 3.19Å; E184-Q188 PolarHBondContact OE1-NE2 3.14Å; H185-Q188 PolarHBondContact ND1-OE1 3.14Å
189E88.9Confident91.3Very high86 Ų8655 Ų5540%0.40226%0.263SS..Hα-helixtrans-70.5-44.4175.8-170.6-176.1143.700112.3H185 I186 F187 R200H185-E189 PolarHBondContact O-N 3.42Å; I186-E189 PolarHBondContact O-N 3.49Å; F187-E189 VanDerWaalsContact C-N 3.28Å; F187-E189 PolarHBondContact O-N 3.1Å; E189-R200 VanDerWaalsContact CD-NH1 3.31Å; E189-R200 IonicContact OE1-CZ 2.77Å; E189-R200 IonicContact OE1-NH1 3.44Å; E189-R200 PolarHBondContact OE1-NH1 3.37Å; E189-R200 IonicContact OE1-NH2 2.63Å; E189-R200 PolarHBondContact OE1-NH2 3.49Å; E189-R200 IonicContact OE2-CZ 3.52Å; E189-R200 IonicContact OE2-NH1 2.68Å; E189-R200 PolarHBondContact OE2-NH1 3.04Å; E189-R200 IonicContact OE2-NH2 2.96Å
190F88.3Confident91.3Very high58 Ų5857.7 Ų57.725%0.25427%0.273SS..Hα-helixtrans-96.8-24.7-173.7-68.8-71.6000115.1I186 F187 N192 K196 R200I186-F190 HydrophobicContact CG2-CD2 3.98Å; I186-F190 HydrophobicContact CG2-CE2 4.14Å; I186-F190 WeakPolarHBondContact O-CD2 3.49Å; I186-F190 PolarHBondContact O-N 3.23Å; F187-F190 PolarHBondContact O-N 3.18Å; F190-N192 PolarHBondContact O-N 3.4Å; F190-K196 HydrophobicContact CD1-CB 4.14Å; F190-K196 HydrophobicContact CE1-CB 3.83Å; F190-K196 HydrophobicContact CZ-CB 4.45Å; F190-R200 HydrophobicContact CE2-CB 3.99Å; F190-R200 HydrophobicContact CE2-CG 4.18Å
191K88.1Confident91.3Very high168 Ų16857.3 Ų57.373%0.7327%0.27SS*.SBendtrans50.417-174.4-57.6-177.7-178.9178.80115.5F187F187-K191 VanDerWaalsContact O-CA 3.22Å; F187-K191 WeakPolarHBondContact O-CA 3.41Å; F187-K191 PolarHBondContact O-N 3.41Å
192N89.1Confident91.3Very high98 Ų9862.3 Ų62.352%0.52429%0.288SS..SBendtrans-157.1149.7-175-166-8.1000110.8F190 D194 Y197F190-N192 PolarHBondContact O-N 3.4Å; N192-D194 PolarHBondContact O-N 2.73Å; N192-Y197 VanDerWaalsContact O-CB 3.32Å; N192-Y197 WeakPolarHBondContact O-CB 3.45Å
193T88.7Confident91.2Very high28 Ų2863.9 Ų63.917%0.17230%0.299CS..  trans-86.833-17955.50000113.4R151 F187 Y197 K198R151-T193 HydrophobicContact CG-CG2 3.9Å; F187-T193 HydrophobicContact CE2-CG2 4.26Å; T193-Y197 HydrophobicContact CG2-CE1 4.47Å; T193-K198 WeakPolarHBondContact O-CE 3.28Å; T193-K198 PolarHBondContact O-NZ 3.34Å; T193-K198 VanDerWaalsContact O-NZ 3.09Å
194D90.5Very high91.1Very high75 Ų7564 Ų6440%0.40130%0.3SS..SBendtrans-65.4167.4-180178.745.1000113N192 K196 Y197 K198N192-D194 PolarHBondContact O-N 2.73Å; D194-K196 PolarHBondContact O-N 3.17Å; D194-K196 PolarHBondContact OD2-N 2.94Å; D194-Y197 WeakPolarHBondContact O-CB 3.3Å; D194-Y197 PolarHBondContact O-N 3.42Å; D194-Y197 VanDerWaalsContact O-N 3.1Å; D194-K198 PolarHBondContact O-N 3.47Å
195M90.1Very high91.1Very high115 Ų11563.8 Ų63.857%0.56730%0.299SS*.Hα-helixtrans-55.2-31.3173.9-67.1-64.1-94.400112.9K198 N199M195-K198 PolarHBondContact O-N 2.89Å; M195-K198 HydrophobicContact SD-CD 4.2Å; M195-N199 VanDerWaalsContact O-CB 3.23Å; M195-N199 WeakPolarHBondContact O-CB 3.39Å; M195-N199 PolarHBondContact O-N 2.82Å; M195-N199 PolarHBondContact O-ND2 2.85Å; M195-N199 PolarHBondContact O-OD1 3.06Å
196K90.7Very high91Very high142 Ų14265.3 Ų65.362%0.61732%0.316SS*.Hα-helixtrans-62.3-48.7172.3-69.4177.8-178.8175.80112.4F190 D194 N199 R200F190-K196 HydrophobicContact CD1-CB 4.14Å; F190-K196 HydrophobicContact CE1-CB 3.83Å; F190-K196 HydrophobicContact CZ-CB 4.45Å; D194-K196 PolarHBondContact O-N 3.17Å; D194-K196 PolarHBondContact OD2-N 2.94Å; K196-N199 PolarHBondContact O-N 2.84Å; K196-R200 PolarHBondContact O-N 3.33Å
197Y93.5Very high90.9Very high0 Ų066.6 Ų66.60%032%0.322CS..Hα-helixtrans-58.6-49.4173.6161.8-85.6000110.7C154 E183 I186 F187 N192 T193 D194 N199 R200 V201C154-Y197 WeakPolarHBondContact CB-OH 3.42Å; E183-Y197 WeakPolarHBondContact CG-OH 3.34Å; E183-Y197 PolarHBondContact OE1-OH 2.78Å; I186-Y197 HydrophobicContact CG2-CD2 3.7Å; I186-Y197 HydrophobicContact CG2-CE2 3.97Å; F187-Y197 HydrophobicContact CB-CE2 4.15Å; F187-Y197 HydrophobicContact CD2-CD2 4.47Å; F187-Y197 HydrophobicContact CD2-CE2 4.23Å; N192-Y197 VanDerWaalsContact O-CB 3.32Å; N192-Y197 WeakPolarHBondContact O-CB 3.45Å; T193-Y197 HydrophobicContact CG2-CE1 4.47Å; D194-Y197 WeakPolarHBondContact O-CB 3.3Å; D194-Y197 PolarHBondContact O-N 3.42Å; D194-Y197 VanDerWaalsContact O-N 3.1Å; Y197-N199 VanDerWaalsContact C-N 3.3Å; Y197-N199 PolarHBondContact O-N 2.98Å; Y197-R200 WeakPolarHBondContact O-CB 3.37Å; Y197-R200 PolarHBondContact O-N 3.07Å; Y197-R200 VanDerWaalsContact O-N 3.1Å; Y197-V201 HydrophobicContact CE1-CG2 4.15Å; Y197-V201 HydrophobicContact CE2-CG2 4.12Å; Y197-V201 PolarHBondContact O-N 2.95Å
198K92.3Very high90.8Very high61 Ų6164.4 Ų64.427%0.26531%0.313SS..Hα-helixtrans-61.9-35.8178.7-67.2170.6178.1152.50112.5T193 D194 M195 R202T193-K198 WeakPolarHBondContact O-CE 3.28Å; T193-K198 PolarHBondContact O-NZ 3.34Å; T193-K198 VanDerWaalsContact O-NZ 3.09Å; D194-K198 PolarHBondContact O-N 3.47Å; M195-K198 PolarHBondContact O-N 2.89Å; M195-K198 HydrophobicContact SD-CD 4.2Å; K198-R202 WeakPolarHBondContact O-CB 3.3Å; K198-R202 WeakPolarHBondContact O-CG 3.37Å; K198-R202 PolarHBondContact O-N 3.45Å; K198-R202 PolarHBondContact O-NE 3.37Å
199N92.1Very high90.7Very high82 Ų8265 Ų6544%0.43931%0.314SS..Hα-helixtrans-66.7-42.7174.3-73.6-13.6000111.5M195 K196 Y197 R202 S203M195-N199 VanDerWaalsContact O-CB 3.23Å; M195-N199 WeakPolarHBondContact O-CB 3.39Å; M195-N199 PolarHBondContact O-N 2.82Å; M195-N199 PolarHBondContact O-ND2 2.85Å; M195-N199 PolarHBondContact O-OD1 3.06Å; K196-N199 PolarHBondContact O-N 2.84Å; Y197-N199 VanDerWaalsContact C-N 3.3Å; Y197-N199 PolarHBondContact O-N 2.98Å; N199-R202 PolarHBondContact O-N 3.14Å; N199-R202 PolarHBondContact OD1-NH1 3.02Å; N199-R202 PolarHBondContact OD1-NH2 2.97Å; N199-S203 WeakPolarHBondContact O-CB 3.18Å; N199-S203 PolarHBondContact O-N 3.35Å
200R91.6Very high90.7Very high56 Ų5663.8 Ų63.821%0.21131%0.31CS..Hα-helixtrans-62.1-49176.5-175.469.271.274.96111.2I186 E189 F190 K196 Y197 R202 S203 R204 A231I186-R200 HydrophobicContact CD1-CG 4.17Å; I186-R200 HydrophobicContact CG1-CG 4.14Å; I186-R200 HydrophobicContact CG2-CB 4.08Å; I186-R200 HydrophobicContact CG2-CG 3.8Å; E189-R200 VanDerWaalsContact CD-NH1 3.31Å; E189-R200 IonicContact OE1-CZ 2.77Å; E189-R200 IonicContact OE1-NH1 3.44Å; E189-R200 PolarHBondContact OE1-NH1 3.37Å; E189-R200 IonicContact OE1-NH2 2.63Å; E189-R200 PolarHBondContact OE1-NH2 3.49Å; E189-R200 IonicContact OE2-CZ 3.52Å; E189-R200 IonicContact OE2-NH1 2.68Å; E189-R200 PolarHBondContact OE2-NH1 3.04Å; E189-R200 IonicContact OE2-NH2 2.96Å; F190-R200 HydrophobicContact CE2-CB 3.99Å; F190-R200 HydrophobicContact CE2-CG 4.18Å; K196-R200 PolarHBondContact O-N 3.33Å; Y197-R200 WeakPolarHBondContact O-CB 3.37Å; Y197-R200 PolarHBondContact O-N 3.07Å; Y197-R200 VanDerWaalsContact O-N 3.1Å; R200-R202 PolarHBondContact O-N 3.08Å; R200-S203 WeakPolarHBondContact O-CB 3.21Å; R200-S203 PolarHBondContact O-N 3.48Å; R200-S203 VanDerWaalsContact O-N 3.17Å; R200-R204 PolarHBondContact O-N 3.01Å; R200-A231 PolarHBondContact NH1-O 2.94Å
201V93.3Very high90.4Very high4 Ų467.5 Ų67.52%0.02433%0.33CS..Hα-helixtrans-58.1-49.2176.11730000111.3C154 L158 I186 Y197 S203 R204 I205C154-V201 HydrophobicContact CB-CG1 3.95Å; C154-V201 HydrophobicContact CB-CG2 4.45Å; L158-V201 HydrophobicContact CD1-CG1 4.26Å; L158-V201 HydrophobicContact CG-CG1 4.31Å; I186-V201 HydrophobicContact CD1-CG2 4.13Å; I186-V201 HydrophobicContact CG2-CG2 4.23Å; Y197-V201 HydrophobicContact CE1-CG2 4.15Å; Y197-V201 HydrophobicContact CE2-CG2 4.12Å; Y197-V201 PolarHBondContact O-N 2.95Å; V201-S203 VanDerWaalsContact C-N 3.28Å; V201-S203 PolarHBondContact O-N 3.29Å; V201-R204 PolarHBondContact O-N 3.02Å; V201-R204 VanDerWaalsContact O-N 3.14Å; V201-I205 HydrophobicContact CG1-CD1 3.71Å; V201-I205 HydrophobicContact CG1-CG1 4.46Å; V201-I205 WeakPolarHBondContact O-CG1 3.46Å; V201-I205 PolarHBondContact O-N 3.07Å
202R92.4Very high90.1Very high120 Ų12068.4 Ų68.445%0.45333%0.334SS..Hα-helixtrans-60.2-35.9176.5-79.6-175.7-89.899.1-0.3113K198 N199 R200 S206K198-R202 WeakPolarHBondContact O-CB 3.3Å; K198-R202 WeakPolarHBondContact O-CG 3.37Å; K198-R202 PolarHBondContact O-N 3.45Å; K198-R202 PolarHBondContact O-NE 3.37Å; N199-R202 PolarHBondContact O-N 3.14Å; N199-R202 PolarHBondContact OD1-NH1 3.02Å; N199-R202 PolarHBondContact OD1-NH2 2.97Å; R200-R202 PolarHBondContact O-N 3.08Å; R202-S206 PolarHBondContact O-N 3Å
203S91.5Very high89.8Confident34 Ų3464.7 Ų64.724%0.23831%0.314CS..Hα-helixtrans-63.3-45.5173.7-177.40000111.7N199 R200 V201 S206 N207N199-S203 WeakPolarHBondContact O-CB 3.18Å; N199-S203 PolarHBondContact O-N 3.35Å; R200-S203 WeakPolarHBondContact O-CB 3.21Å; R200-S203 PolarHBondContact O-N 3.48Å; R200-S203 VanDerWaalsContact O-N 3.17Å; V201-S203 VanDerWaalsContact C-N 3.28Å; V201-S203 PolarHBondContact O-N 3.29Å; S203-S206 PolarHBondContact O-N 2.64Å; S203-N207 PolarHBondContact O-N 3.37Å; S203-N207 VanDerWaalsContact O-N 3.17Å; S203-N207 PolarHBondContact O-ND2 3.01Å
204R92Very high89.6Confident3 Ų365 Ų651%0.01132%0.317CS..Hα-helixtrans-61-48.5176.1-61-43-177.8-134.83.1112.3L158 I186 R200 V201 S206 N207 L208 M230 A231 M233L158-R204 HydrophobicContact CD2-CB 3.9Å; I186-R204 HydrophobicContact CD1-CG 4Å; R200-R204 PolarHBondContact O-N 3.01Å; V201-R204 PolarHBondContact O-N 3.02Å; V201-R204 VanDerWaalsContact O-N 3.14Å; R204-S206 VanDerWaalsContact C-N 3.26Å; R204-S206 PolarHBondContact O-N 3.23Å; R204-N207 PolarHBondContact O-N 3.28Å; R204-N207 VanDerWaalsContact O-N 3.07Å; R204-L208 WeakPolarHBondContact O-CG 3.22Å; R204-L208 PolarHBondContact O-N 3Å; R204-M230 PolarHBondContact NE-O 2.93Å; R204-M230 PolarHBondContact NH2-O 3.24Å; R204-M230 VanDerWaalsContact NH2-O 3.07Å; R204-A231 VanDerWaalsContact NH2-C 3.28Å; R204-A231 PolarHBondContact NH2-O 2.83Å; R204-M233 PolarHBondContact NH1-O 3.42Å; R204-M233 PolarHBondContact NH2-O 2.84Å
205I92.8Very high89.4Confident20 Ų2066.1 Ų66.110%0.10332%0.323CS..Hα-helixtrans-53.8-45.2176.5-67.8162.7000110.7M157 L158 A161 V201 N207 K209M157-I205 HydrophobicContact CB-CD1 3.67Å; M157-I205 HydrophobicContact CE-CD1 4.22Å; L158-I205 HydrophobicContact CD2-CG1 3.81Å; L158-I205 HydrophobicContact CG-CG1 4.18Å; A161-I205 HydrophobicContact CB-CB 4.48Å; A161-I205 HydrophobicContact CB-CG1 4.47Å; A161-I205 HydrophobicContact CB-CG2 4.22Å; V201-I205 HydrophobicContact CG1-CD1 3.71Å; V201-I205 HydrophobicContact CG1-CG1 4.46Å; V201-I205 WeakPolarHBondContact O-CG1 3.46Å; V201-I205 PolarHBondContact O-N 3.07Å; I205-N207 VanDerWaalsContact C-N 3.33Å; I205-N207 PolarHBondContact O-N 3.01Å; I205-K209 HydrophobicContact CG2-CD 3.8Å; I205-K209 HydrophobicContact CG2-CG 4.45Å; I205-K209 VanDerWaalsContact O-CB 3.29Å; I205-K209 WeakPolarHBondContact O-CB 3.49Å; I205-K209 VanDerWaalsContact O-CG 3.23Å; I205-K209 WeakPolarHBondContact O-CG 3.36Å; I205-K209 PolarHBondContact O-N 3.25Å
206S90.6Very high89.2Confident82 Ų8261.5 Ų61.557%0.57330%0.3SS*.Hα-helixtrans-67.7-28.1-179.9-167.80000114.3R202 S203 R204R202-S206 PolarHBondContact O-N 3Å; S203-S206 PolarHBondContact O-N 2.64Å; R204-S206 VanDerWaalsContact C-N 3.26Å; R204-S206 PolarHBondContact O-N 3.23Å
207N89.9Confident89.1Confident26 Ų2655 Ų5514%0.13927%0.272CS..Hα-helixtrans-83.1-40.2177.7-76.5-97.4000111.5S203 R204 I205 K209 D210 L216 M238S203-N207 PolarHBondContact O-N 3.37Å; S203-N207 VanDerWaalsContact O-N 3.17Å; S203-N207 PolarHBondContact O-ND2 3.01Å; R204-N207 PolarHBondContact O-N 3.28Å; R204-N207 VanDerWaalsContact O-N 3.07Å; I205-N207 VanDerWaalsContact C-N 3.33Å; I205-N207 PolarHBondContact O-N 3.01Å; N207-K209 VanDerWaalsContact C-N 3.28Å; N207-K209 PolarHBondContact O-N 3.01Å; N207-D210 WeakPolarHBondContact O-CB 3.42Å; N207-D210 PolarHBondContact O-N 2.99Å; N207-L216 HydrophobicContact CB-CD2 3.98Å; N207-M238 HydrophobicContact CB-CB 4.25Å; N207-M238 HydrophobicContact CB-CE 3.95Å; N207-M238 HydrophobicContact CB-SD 3.88Å; N207-M238 VanDerWaalsContact CG-CE 3.43Å; N207-M238 VanDerWaalsContact ND2-CE 3.35Å; N207-M238 WeakPolarHBondContact ND2-CE 3.48Å; N207-M238 WeakPolarHBondContact OD1-CB 3.19Å
208L88.9Confident88.9Confident1 Ų160.6 Ų60.61%0.00529%0.293CS..Hα-helixtrans-66.6-30.2176-66.9171.7000112.7L158 A161 L162 R204 R217 V220 M230L158-L208 HydrophobicContact CD2-CD1 4.37Å; A161-L208 HydrophobicContact CB-CB 3.96Å; A161-L208 HydrophobicContact CB-CD1 4.4Å; L162-L208 HydrophobicContact CD2-CD1 3.95Å; L162-L208 HydrophobicContact CD2-CD2 3.91Å; L162-L208 HydrophobicContact CD2-CG 4.46Å; L162-L208 HydrophobicContact CG-CD1 4.19Å; R204-L208 WeakPolarHBondContact O-CG 3.22Å; R204-L208 PolarHBondContact O-N 3Å; L208-R217 PolarHBondContact O-NH1 3.36Å; L208-V220 HydrophobicContact CD2-CG2 4.34Å; L208-M230 HydrophobicContact CD2-CE 4.28Å
209K89.9Confident88.6Confident105 Ų10560.2 Ų60.246%0.45730%0.296SS..THydrogen-bonded Turntrans-85.72.1174.3-66.2-175.666.6164.10114.5A161 I205 N207 M211A161-K209 HydrophobicContact CB-CD 4.19Å; A161-K209 HydrophobicContact CB-CG 3.74Å; I205-K209 HydrophobicContact CG2-CD 3.8Å; I205-K209 HydrophobicContact CG2-CG 4.45Å; I205-K209 VanDerWaalsContact O-CB 3.29Å; I205-K209 WeakPolarHBondContact O-CB 3.49Å; I205-K209 VanDerWaalsContact O-CG 3.23Å; I205-K209 WeakPolarHBondContact O-CG 3.36Å; I205-K209 PolarHBondContact O-N 3.25Å; N207-K209 VanDerWaalsContact C-N 3.28Å; N207-K209 PolarHBondContact O-N 3.01Å; K209-M211 PolarHBondContact O-N 3.28Å; K209-M211 VanDerWaalsContact O-N 3.08Å
210D87.7Confident88.5Confident62 Ų6256.4 Ų56.433%0.33228%0.275SS..  trans-72.6106.7-179.4-169.90.8000111N207 K212 N213N207-D210 WeakPolarHBondContact O-CB 3.42Å; N207-D210 PolarHBondContact O-N 2.99Å; D210-K212 PolarHBondContact O-N 2.87Å; D210-K212 VanDerWaalsContact OD1-CB 3.32Å; D210-K212 WeakPolarHBondContact OD1-CB 3.35Å; D210-K212 PolarHBondContact OD1-N 2.88Å; D210-N213 CarbonylContact O-C 3.59Å; D210-N213 PolarHBondContact O-N 3.48Å
211M83.4Confident88.3Confident135 Ų13554.1 Ų54.167%0.66527%0.267SS*.THydrogen-bonded Turntrans-63.4-17.3176.2-63.6-61-69.900113T164 K209T164-M211 HydrophobicContact CG2-SD 4.01Å; K209-M211 PolarHBondContact O-N 3.28Å; K209-M211 VanDerWaalsContact O-N 3.08Å
212K81.3Confident88Confident187 Ų18757.2 Ų57.281%0.81329%0.288SS*.THydrogen-bonded Turntrans-81.5-16.5174.6-58.3-176.2178.8-173.40113.2D210D210-K212 PolarHBondContact O-N 2.87Å; D210-K212 VanDerWaalsContact OD1-CB 3.32Å; D210-K212 WeakPolarHBondContact OD1-CB 3.35Å; D210-K212 PolarHBondContact OD1-N 2.88Å
213N82.3Confident87.6Confident20 Ų2053.8 Ų53.811%0.10729%0.29CS..  trans-133.765.4178.6-168.89.6000112.4D210 N215 L216 M238 S240D210-N213 CarbonylContact O-C 3.59Å; D210-N213 PolarHBondContact O-N 3.48Å; N213-N215 PolarHBondContact O-N 3.03Å; N213-L216 PolarHBondContact O-N 3.45Å; N213-L216 PolarHBondContact OD1-N 3.27Å; N213-M238 PolarHBondContact ND2-O 3.18Å; N213-S240 WeakPolarHBondContact ND2-CA 3.24Å; N213-S240 PolarHBondContact ND2-N 3.13Å
214P84.7Confident87.3Confident36 Ų3656.1 Ų56.123%0.23431%0.307CS..Hα-helixtrans-63.7-22.3174.628.9-35.7000112.4L216 R217 R218P214-L216 PolarHBondContact O-N 2.95Å; P214-R217 PolarHBondContact O-N 3.16Å; P214-R218 WeakPolarHBondContact O-CG 3.43Å; P214-R218 PolarHBondContact O-N 2.99Å
215N86.3Confident87.1Confident98 Ų9856.4 Ų56.452%0.52431%0.309SS..Hα-helixtrans-61.7-41.9178.6-72.4-36.8000111.9N213 R217 R218 T219N213-N215 PolarHBondContact O-N 3.03Å; N215-R217 VanDerWaalsContact C-N 3.31Å; N215-R217 PolarHBondContact O-N 2.86Å; N215-R218 PolarHBondContact O-N 3.17Å; N215-R218 VanDerWaalsContact O-N 3.17Å; N215-T219 WeakPolarHBondContact O-CB 3.36Å; N215-T219 PolarHBondContact O-N 3.47Å; N215-T219 PolarHBondContact O-OG1 3.33Å
216L86.8Confident86.9Confident18 Ų1858.9 Ų58.99%0.09433%0.325CS..Hα-helixtrans-54.4-47.8175.4-179.573.1000111.7N207 N213 P214 T219 V220 M230 M238N207-L216 HydrophobicContact CB-CD2 3.98Å; N213-L216 PolarHBondContact O-N 3.45Å; N213-L216 PolarHBondContact OD1-N 3.27Å; P214-L216 PolarHBondContact O-N 2.95Å; L216-T219 PolarHBondContact O-N 3Å; L216-V220 VanDerWaalsContact O-CG2 3.27Å; L216-V220 WeakPolarHBondContact O-CG2 3.27Å; L216-V220 PolarHBondContact O-N 3.4Å; L216-V220 VanDerWaalsContact O-N 3.11Å; L216-M230 HydrophobicContact CD1-CE 4.25Å; L216-M230 HydrophobicContact CG-CE 4.42Å; L216-M238 HydrophobicContact CD2-CB 3.93Å; L216-M238 HydrophobicContact CD2-CG 4.27Å
217R88.3Confident86.9Confident6 Ų655.8 Ų55.82%0.02330%0.303CS..Hα-helixtrans-62.6-45.3178.6178.1177.557.8-124.39.4111.3L162 T164 D167 L208 P214 N215 T219 V220 L221L162-R217 WeakPolarHBondContact O-CD 3.27Å; T164-R217 WeakPolarHBondContact O-CD 3.43Å; T164-R217 PolarHBondContact O-NE 3.23Å; T164-R217 PolarHBondContact O-NH1 3.01Å; T164-R217 PolarHBondContact O-NH2 2.92Å; D167-R217 IonicContact OD2-CZ 2.74Å; D167-R217 VanDerWaalsContact OD2-CZ 3.24Å; D167-R217 IonicContact OD2-NE 3.07Å; D167-R217 PolarHBondContact OD2-NE 3.47Å; D167-R217 IonicContact OD2-NH2 3.33Å; D167-R217 PolarHBondContact OD2-NH2 3.03Å; L208-R217 PolarHBondContact O-NH1 3.36Å; P214-R217 PolarHBondContact O-N 3.16Å; N215-R217 VanDerWaalsContact C-N 3.31Å; N215-R217 PolarHBondContact O-N 2.86Å; R217-T219 PolarHBondContact O-N 3.42Å; R217-V220 PolarHBondContact O-N 3.5Å; R217-L221 HydrophobicContact CG-CD1 3.82Å; R217-L221 HydrophobicContact CG-CG 4.37Å; R217-L221 WeakPolarHBondContact O-CG 3.46Å; R217-L221 PolarHBondContact O-N 2.76Å
218R88.3Confident86.9Confident116 Ų11658.8 Ų58.844%0.43832%0.316SS..Hα-helixtrans-59.2-44.3175.2-70.4173.2178.4175.5-2.9112.4D167 P214 N215 V220 L221 C222D167-R218 HydrophobicContact CB-CG 4.13Å; D167-R218 IonicContact OD1-CZ 3.19Å; D167-R218 IonicContact OD1-NE 2.73Å; D167-R218 PolarHBondContact OD1-NE 3.13Å; D167-R218 IonicContact OD1-NH2 2.68Å; D167-R218 PolarHBondContact OD1-NH2 2.92Å; D167-R218 IonicContact OD2-NE 3.98Å; P214-R218 WeakPolarHBondContact O-CG 3.43Å; P214-R218 PolarHBondContact O-N 2.99Å; N215-R218 PolarHBondContact O-N 3.17Å; N215-R218 VanDerWaalsContact O-N 3.17Å; R218-V220 PolarHBondContact O-N 3.27Å; R218-L221 PolarHBondContact O-N 3.43Å; R218-C222 PolarHBondContact O-N 3.24Å; R218-C222 PolarHBondContact O-SG 3.24Å
219T87.4Confident86.9Confident53 Ų5365.8 Ų65.833%0.32534%0.343SS..Hα-helixtrans-63.2-29.7178.1-51.80000112.7N215 L216 R217 C222 S224 V225N215-T219 WeakPolarHBondContact O-CB 3.36Å; N215-T219 PolarHBondContact O-N 3.47Å; N215-T219 PolarHBondContact O-OG1 3.33Å; L216-T219 PolarHBondContact O-N 3Å; R217-T219 PolarHBondContact O-N 3.42Å; T219-C222 PolarHBondContact O-SG 2.86Å; T219-S224 WeakPolarHBondContact O-CA 3.49Å; T219-S224 WeakPolarHBondContact O-CB 3.37Å; T219-S224 PolarHBondContact O-N 3.14Å; T219-V225 HydrophobicContact CG2-CG2 3.81Å; T219-V225 PolarHBondContact O-N 2.93Å
220V89.2Confident86.9Confident2 Ų260.8 Ų60.81%0.01232%0.321CS..Hα-helixtrans-77.9-46.7173.9174.90000111L162 I182 L208 L216 R217 R218 C222 G223 V225 M230L162-V220 HydrophobicContact CD2-CG1 4.04Å; I182-V220 HydrophobicContact CD1-CG1 4.35Å; L208-V220 HydrophobicContact CD2-CG2 4.34Å; L216-V220 VanDerWaalsContact O-CG2 3.27Å; L216-V220 WeakPolarHBondContact O-CG2 3.27Å; L216-V220 PolarHBondContact O-N 3.4Å; L216-V220 VanDerWaalsContact O-N 3.11Å; R217-V220 PolarHBondContact O-N 3.5Å; R218-V220 PolarHBondContact O-N 3.27Å; V220-C222 VanDerWaalsContact C-N 3.31Å; V220-C222 PolarHBondContact O-N 3.01Å; V220-G223 PolarHBondContact O-N 3.47Å; V220-V225 HydrophobicContact CG2-CB 4.09Å; V220-V225 HydrophobicContact CG2-CG1 4.26Å; V220-M230 HydrophobicContact CG2-CE 3.4Å; V220-M230 VanDerWaalsContact CG2-CE 3.4Å
221L88.2Confident86.9Confident8 Ų857.9 Ų57.94%0.04231%0.305CS..Hα-helixtrans-61.7-36.3179-71168.2000112.3L162 D167 H168 I171 A173 L178 R217 R218 G223L162-L221 HydrophobicContact CB-CD2 4.39Å; L162-L221 HydrophobicContact CD2-CD2 4.37Å; D167-L221 HydrophobicContact CB-CD1 3.85Å; H168-L221 HydrophobicContact CB-CD1 4.08Å; H168-L221 HydrophobicContact CB-CD2 3.94Å; I171-L221 HydrophobicContact CD1-CB 3.57Å; I171-L221 HydrophobicContact CD1-CD1 4.14Å; I171-L221 HydrophobicContact CG2-CB 4.24Å; A173-L221 HydrophobicContact CB-CB 4.41Å; A173-L221 HydrophobicContact CB-CD2 4.06Å; A173-L221 WeakPolarHBondContact CB-O 3.31Å; L178-L221 HydrophobicContact CD1-CD2 4.09Å; R217-L221 HydrophobicContact CG-CD1 3.82Å; R217-L221 HydrophobicContact CG-CG 4.37Å; R217-L221 WeakPolarHBondContact O-CG 3.46Å; R217-L221 PolarHBondContact O-N 2.76Å; R218-L221 PolarHBondContact O-N 3.43Å; L221-G223 VanDerWaalsContact C-N 3.25Å; L221-G223 PolarHBondContact O-N 2.96Å
222C85.8Confident87.1Confident69 Ų6957.1 Ų57.147%0.46630%0.298SS..THydrogen-bonded Turntrans-83.18.2174.875.50000114.3R218 T219 V220 S224R218-C222 PolarHBondContact O-N 3.24Å; R218-C222 PolarHBondContact O-SG 3.24Å; T219-C222 PolarHBondContact O-SG 2.86Å; V220-C222 VanDerWaalsContact C-N 3.31Å; V220-C222 PolarHBondContact O-N 3.01Å; C222-S224 PolarHBondContact O-N 3.37Å; C222-S224 PolarHBondContact SG-OG 3.38Å; C222-S224 VanDerWaalsContact SG-OG 3.37Å
223G83.7Confident87.1Confident48 Ų4849.2 Ų49.250%0.49526%0.264SS..THydrogen-bonded Turntrans73.40.4176.700000116V220 L221 V225V220-G223 PolarHBondContact O-N 3.47Å; L221-G223 VanDerWaalsContact C-N 3.25Å; L221-G223 PolarHBondContact O-N 2.96Å; G223-V225 PolarHBondContact O-N 3.37Å
224S86.3Confident87Confident84 Ų8451.5 Ų51.559%0.58728%0.279SS*.SBendtrans-66.5-23.7177.9-69.90000113.2T219 C222T219-S224 WeakPolarHBondContact O-CA 3.49Å; T219-S224 WeakPolarHBondContact O-CB 3.37Å; T219-S224 PolarHBondContact O-N 3.14Å; C222-S224 PolarHBondContact O-N 3.37Å; C222-S224 PolarHBondContact SG-OG 3.38Å; C222-S224 VanDerWaalsContact SG-OG 3.37Å
225V87.8Confident86.4Confident9 Ų952.1 Ų52.16%0.05529%0.287CS..SBendtrans-112.1113.4161.31710000108.4T219 V220 G223 R229 M230 M233T219-V225 HydrophobicContact CG2-CG2 3.81Å; T219-V225 PolarHBondContact O-N 2.93Å; V220-V225 HydrophobicContact CG2-CB 4.09Å; V220-V225 HydrophobicContact CG2-CG1 4.26Å; G223-V225 PolarHBondContact O-N 3.37Å; V225-R229 HydrophobicContact CG1-CB 4.33Å; V225-R229 HydrophobicContact CG1-CG 4.43Å; V225-M230 HydrophobicContact CG1-CB 4.05Å; V225-M230 HydrophobicContact CG1-CE 4.39Å; V225-M233 HydrophobicContact CG1-SD 4.35Å
226T89.3Confident85.5Confident72 Ų7254.2 Ų54.244%0.44229%0.294SS..  trans-63.1149177.259.60000111.9E228 R229 M230T226-E228 PolarHBondContact O-N 2.75Å; T226-R229 PolarHBondContact O-N 3.42Å; T226-R229 VanDerWaalsContact O-N 3.08Å; T226-R229 VanDerWaalsContact OG1-CB 3.32Å; T226-R229 WeakPolarHBondContact OG1-CB 3.4Å; T226-R229 PolarHBondContact OG1-N 2.97Å; T226-M230 PolarHBondContact O-N 2.92Å
227P88.8Confident84.7Confident17 Ų1757.9 Ų57.911%0.1131%0.31CS..Hα-helixtrans-53-37.6175.2-32.339.5000114.3L178 Q181 I182 M230 A231L178-P227 HydrophobicContact CD2-CG 4.08Å; Q181-P227 HydrophobicContact CB-CB 3.81Å; Q181-P227 HydrophobicContact CB-CG 4Å; I182-P227 HydrophobicContact CG1-CB 3.9Å; P227-M230 PolarHBondContact O-N 3.41Å; P227-A231 WeakPolarHBondContact O-CB 3.3Å; P227-A231 PolarHBondContact O-N 2.84Å
228E90.3Very high83.7Confident88 Ų8857.7 Ų57.741%0.41131%0.31SS..Hα-helixtrans-63.5-46.8175.3-167.6-162.6162.400112.2H185 T226 M230 A231 K232H185-E228 PolarHBondContact CD2-N 3.15Å; T226-E228 PolarHBondContact O-N 2.75Å; E228-M230 VanDerWaalsContact C-N 3.31Å; E228-M230 PolarHBondContact O-N 3.37Å; E228-A231 WeakPolarHBondContact O-CB 3.31Å; E228-A231 PolarHBondContact O-N 3.06Å; E228-A231 VanDerWaalsContact O-N 3.16Å; E228-K232 HydrophobicContact CG-CD 4.35Å; E228-K232 PolarHBondContact O-N 2.96Å; E228-K232 VanDerWaalsContact O-N 3.09Å; E228-K232 IonicContact OE1-NZ 3.24Å; E228-K232 PolarHBondContact OE1-NZ 3.03Å
229R88.8Confident82.9Confident149 Ų14952.7 Ų52.756%0.56229%0.294SS*.Hα-helixtrans-64.2-40177.1-174.5177.7179.4-145.8-1.2110.7V225 T226 K232 M233V225-R229 HydrophobicContact CG1-CB 4.33Å; V225-R229 HydrophobicContact CG1-CG 4.43Å; T226-R229 PolarHBondContact O-N 3.42Å; T226-R229 VanDerWaalsContact O-N 3.08Å; T226-R229 VanDerWaalsContact OG1-CB 3.32Å; T226-R229 WeakPolarHBondContact OG1-CB 3.4Å; T226-R229 PolarHBondContact OG1-N 2.97Å; R229-K232 PolarHBondContact O-N 3.38Å; R229-M233 WeakPolarHBondContact O-CB 3.49Å; R229-M233 WeakPolarHBondContact O-CG 3.36Å; R229-M233 PolarHBondContact O-N 3.41Å
230M89.7Confident82.3Confident0 Ų051.8 Ų51.80%029%0.289CS..Hα-helixtrans-61.3-41.9172.2177.448.272.700111.6I182 R204 L208 L216 V220 V225 T226 P227 E228 K232 M233 M238I182-M230 HydrophobicContact CD1-CG 3.91Å; I182-M230 HydrophobicContact CG1-CB 4.42Å; I182-M230 HydrophobicContact CG1-CG 4.13Å; I182-M230 HydrophobicContact CG2-CG 4.19Å; R204-M230 PolarHBondContact NE-O 2.93Å; R204-M230 PolarHBondContact NH2-O 3.24Å; R204-M230 VanDerWaalsContact NH2-O 3.07Å; L208-M230 HydrophobicContact CD2-CE 4.28Å; L216-M230 HydrophobicContact CD1-CE 4.25Å; L216-M230 HydrophobicContact CG-CE 4.42Å; V220-M230 HydrophobicContact CG2-CE 3.4Å; V220-M230 VanDerWaalsContact CG2-CE 3.4Å; V225-M230 HydrophobicContact CG1-CB 4.05Å; V225-M230 HydrophobicContact CG1-CE 4.39Å; T226-M230 PolarHBondContact O-N 2.92Å; P227-M230 PolarHBondContact O-N 3.41Å; E228-M230 VanDerWaalsContact C-N 3.31Å; E228-M230 PolarHBondContact O-N 3.37Å; M230-K232 VanDerWaalsContact C-N 3.29Å; M230-K232 PolarHBondContact O-N 3.4Å; M230-M233 HydrophobicContact CE-SD 3.8Å; M230-M233 HydrophobicContact SD-CG 4.44Å; M230-M233 HydrophobicContact SD-SD 4.02Å; M230-M238 HydrophobicContact CE-SD 4.19Å; M230-M238 HydrophobicContact SD-SD 3.71Å
231A89.1Confident81.5Confident0 Ų058 Ų580%032%0.322CS..Hα-helixtrans-61.8-35176.500000113.1H185 I186 R200 R204 P227 E228H185-A231 HydrophobicContact CB-CB 3.42Å; H185-A231 VanDerWaalsContact CB-CB 3.42Å; I186-A231 HydrophobicContact CG1-CB 3.69Å; R200-A231 PolarHBondContact NH1-O 2.94Å; R204-A231 VanDerWaalsContact NH2-C 3.28Å; R204-A231 PolarHBondContact NH2-O 2.83Å; P227-A231 WeakPolarHBondContact O-CB 3.3Å; P227-A231 PolarHBondContact O-N 2.84Å; E228-A231 WeakPolarHBondContact O-CB 3.31Å; E228-A231 PolarHBondContact O-N 3.06Å; E228-A231 VanDerWaalsContact O-N 3.16Å
232K87.2Confident81Confident119 Ų11965 Ų6552%0.51736%0.355SS..Hα-helixtrans-92.8-34.8-175.3-67.4174.9179.4176.30115.8E228 R229 M230E228-K232 HydrophobicContact CG-CD 4.35Å; E228-K232 PolarHBondContact O-N 2.96Å; E228-K232 VanDerWaalsContact O-N 3.09Å; E228-K232 IonicContact OE1-NZ 3.24Å; E228-K232 PolarHBondContact OE1-NZ 3.03Å; R229-K232 PolarHBondContact O-N 3.38Å; M230-K232 VanDerWaalsContact C-N 3.29Å; M230-K232 PolarHBondContact O-N 3.4Å
233M82Confident80.5Confident21 Ų2164.8 Ų64.810%0.10335%0.349CS..SBendtrans-59148.4-170.266.7-172.2-54.200115.1R204 V225 R229 M230 E237 M238R204-M233 PolarHBondContact NH1-O 3.42Å; R204-M233 PolarHBondContact NH2-O 2.84Å; V225-M233 HydrophobicContact CG1-SD 4.35Å; R229-M233 WeakPolarHBondContact O-CB 3.49Å; R229-M233 WeakPolarHBondContact O-CG 3.36Å; R229-M233 PolarHBondContact O-N 3.41Å; M230-M233 HydrophobicContact CE-SD 3.8Å; M230-M233 HydrophobicContact SD-CG 4.44Å; M230-M233 HydrophobicContact SD-SD 4.02Å; M233-E237 HydrophobicContact CE-CB 4.23Å; M233-M238 HydrophobicContact CE-CB 4.33Å; M233-M238 HydrophobicContact CE-CG 3.44Å; M233-M238 VanDerWaalsContact CE-CG 3.44Å; M233-M238 HydrophobicContact CG-CG 3.67Å; M233-M238 HydrophobicContact CG-SD 4.01Å; M233-M238 HydrophobicContact SD-CG 3.52Å; M233-M238 VanDerWaalsContact SD-CG 3.52Å; M233-M238 HydrophobicContact SD-SD 4.16Å
234T79.4Confident80.2Confident69 Ų6966 Ų6642%0.42334%0.34SS..  trans-74.6160.4-177.964.70000112.6E236 E237 M238T234-E236 PolarHBondContact O-N 2.57Å; T234-E237 WeakPolarHBondContact CB-OE2 3.47Å; T234-E237 PolarHBondContact N-OE2 2.96Å; T234-E237 PolarHBondContact O-N 3Å; T234-E237 WeakPolarHBondContact OG1-CB 3.46Å; T234-E237 WeakPolarHBondContact OG1-CG 3.17Å; T234-E237 PolarHBondContact OG1-N 3.01Å; T234-E237 PolarHBondContact OG1-OE2 3.39Å; T234-M238 PolarHBondContact O-N 3.08Å
235A71.5Confident80Confident48 Ų4866 Ų6640%0.39733%0.331SS..THydrogen-bonded Turntrans-66.2-20174.700000113.3M238A235-M238 HydrophobicContact CB-CE 4.28Å
236E67.3Low79.8Confident143 Ų14370.5 Ų70.567%0.66835%0.353SS*.THydrogen-bonded Turntrans-80.7-34.6174.5-65.1173-17000111.3T234 A239T234-E236 PolarHBondContact O-N 2.57Å; E236-A239 PolarHBondContact O-N 2.88Å
237E70.1Confident79.5Confident94 Ų9472.3 Ų72.344%0.43935%0.352SS..THydrogen-bonded Turntrans-73.1-24.1177.3-74.8165.1144.300114.4M233 T234 K244M233-E237 HydrophobicContact CE-CB 4.23Å; T234-E237 WeakPolarHBondContact CB-OE2 3.47Å; T234-E237 PolarHBondContact N-OE2 2.96Å; T234-E237 PolarHBondContact O-N 3Å; T234-E237 WeakPolarHBondContact OG1-CB 3.46Å; T234-E237 WeakPolarHBondContact OG1-CG 3.17Å; T234-E237 PolarHBondContact OG1-N 3.01Å; T234-E237 PolarHBondContact OG1-OE2 3.39Å; E237-K244 PolarHBondContact O-NZ 3.38Å
238M68.5Low79.3Confident2 Ų276.5 Ų76.51%0.0137%0.368CS..THydrogen-bonded Turntrans-83.2-12.8175.6-72-174.4-61.400114.5N207 N213 L216 M230 M233 T234 A235N207-M238 HydrophobicContact CB-CB 4.25Å; N207-M238 HydrophobicContact CB-CE 3.95Å; N207-M238 HydrophobicContact CB-SD 3.88Å; N207-M238 VanDerWaalsContact CG-CE 3.43Å; N207-M238 VanDerWaalsContact ND2-CE 3.35Å; N207-M238 WeakPolarHBondContact ND2-CE 3.48Å; N207-M238 WeakPolarHBondContact OD1-CB 3.19Å; N213-M238 PolarHBondContact ND2-O 3.18Å; L216-M238 HydrophobicContact CD2-CB 3.93Å; L216-M238 HydrophobicContact CD2-CG 4.27Å; M230-M238 HydrophobicContact CE-SD 4.19Å; M230-M238 HydrophobicContact SD-SD 3.71Å; M233-M238 HydrophobicContact CE-CB 4.33Å; M233-M238 HydrophobicContact CE-CG 3.44Å; M233-M238 VanDerWaalsContact CE-CG 3.44Å; M233-M238 HydrophobicContact CG-CG 3.67Å; M233-M238 HydrophobicContact CG-SD 4.01Å; M233-M238 HydrophobicContact SD-CG 3.52Å; M233-M238 VanDerWaalsContact SD-CG 3.52Å; M233-M238 HydrophobicContact SD-SD 4.16Å; T234-M238 PolarHBondContact O-N 3.08Å; A235-M238 HydrophobicContact CB-CE 4.28Å
239A71.4Confident79.3Confident12 Ų1275.3 Ų75.310%0.09937%0.365CS..SBendtrans-61.3158175.800000110.9E236E236-A239 PolarHBondContact O-N 2.88Å
240S74.9Confident79.3Confident34 Ų3473.1 Ų73.124%0.23836%0.363CS..  trans-55.9144.1173.3590000110.7N213 E242 L243 K244N213-S240 WeakPolarHBondContact ND2-CA 3.24Å; N213-S240 PolarHBondContact ND2-N 3.13Å; S240-E242 PolarHBondContact O-N 3.04Å; S240-E242 VanDerWaalsContact O-N 3.16Å; S240-L243 PolarHBondContact O-N 3.37Å; S240-L243 WeakPolarHBondContact OG-CB 3.39Å; S240-K244 WeakPolarHBondContact O-CB 3.37Å; S240-K244 PolarHBondContact O-N 2.88Å
241D72.4Confident79.2Confident131 Ų13177.4 Ų77.470%0.70139%0.39SS*.Hα-helixtrans-57.9-35.3-172.6-65.2-53.5000112.6K244 E245D241-K244 PolarHBondContact O-N 3.08Å; D241-E245 PolarHBondContact O-N 3.08Å
242E77.2Confident79.2Confident156 Ų15682 Ų8273%0.72941%0.409SS*.Hα-helixtrans-62.1-49.3172.8-173.9-177.4-166.900112.5S240 K244 E245 M246S240-E242 PolarHBondContact O-N 3.04Å; S240-E242 VanDerWaalsContact O-N 3.16Å; E242-K244 VanDerWaalsContact C-N 3.29Å; E242-K244 PolarHBondContact O-N 3.08Å; E242-E245 PolarHBondContact O-N 3.37Å; E242-M246 VanDerWaalsContact O-CB 3.29Å; E242-M246 WeakPolarHBondContact O-CB 3.42Å; E242-M246 PolarHBondContact O-N 2.84Å
243L75.4Confident79.3Confident64 Ų6480.1 Ų80.134%0.33540%0.403SS..Hα-helixtrans-68.9-32179.1-177.358.3000111.7S240 R247S240-L243 PolarHBondContact O-N 3.37Å; S240-L243 WeakPolarHBondContact OG-CB 3.39Å; L243-R247 HydrophobicContact CD1-CG 4.47Å; L243-R247 WeakPolarHBondContact O-CB 3.41Å; L243-R247 VanDerWaalsContact O-CG 3.26Å; L243-R247 WeakPolarHBondContact O-CG 3.29Å; L243-R247 PolarHBondContact O-N 3.22Å
244K77.6Confident79.6Confident73 Ų7382.1 Ų82.132%0.31742%0.422SS..Hα-helixtrans-66.9-48.4175.9-175.1175.7180173.80111.4E237 S240 D241 E242 K248E237-K244 PolarHBondContact O-NZ 3.38Å; S240-K244 WeakPolarHBondContact O-CB 3.37Å; S240-K244 PolarHBondContact O-N 2.88Å; D241-K244 PolarHBondContact O-N 3.08Å; E242-K244 VanDerWaalsContact C-N 3.29Å; E242-K244 PolarHBondContact O-N 3.08Å; K244-K248 WeakPolarHBondContact O-CB 3.34Å; K244-K248 PolarHBondContact O-N 2.93Å
245E82.3Confident80Confident86 Ų8682.3 Ų82.340%0.40242%0.424SS..Hα-helixtrans-71-35.2176.1-16361.6-139.700111.7D241 E242 K248 N249 K252D241-E245 PolarHBondContact O-N 3.08Å; E242-E245 PolarHBondContact O-N 3.37Å; E245-K248 PolarHBondContact O-N 3.1Å; E245-K248 IonicContact OE1-NZ 3.74Å; E245-K248 PolarHBondContact OE1-NZ 3.34Å; E245-K248 WeakPolarHBondContact OE2-CD 3.43Å; E245-K248 IonicContact OE2-NZ 2.7Å; E245-K248 PolarHBondContact OE2-NZ 3.47Å; E245-N249 WeakPolarHBondContact O-CB 3.5Å; E245-N249 PolarHBondContact O-N 3.04Å; E245-K252 IonicContact OE1-NZ 3.65Å; E245-K252 PolarHBondContact OE1-NZ 3.16Å
246M83.1Confident80.7Confident103 Ų10385.9 Ų85.951%0.50743%0.427SS..Hα-helixtrans-58.8-50.2173-176.2-169.7-68.300111.9E242 K248 N249 L250E242-M246 VanDerWaalsContact O-CB 3.29Å; E242-M246 WeakPolarHBondContact O-CB 3.42Å; E242-M246 PolarHBondContact O-N 2.84Å; M246-K248 PolarHBondContact O-N 3.49Å; M246-N249 PolarHBondContact O-N 3.08Å; M246-L250 HydrophobicContact CG-CD1 4.06Å; M246-L250 WeakPolarHBondContact O-CG 3.42Å; M246-L250 PolarHBondContact O-N 3.03Å
247R83.6Confident81.5Confident110 Ų11084.9 Ų84.942%0.41543%0.426SS..Hα-helixtrans-58.8-47.4174.9-75.5173.6-174.9170.63.4111.1L243 N249 L250 T251L243-R247 HydrophobicContact CD1-CG 4.47Å; L243-R247 WeakPolarHBondContact O-CB 3.41Å; L243-R247 VanDerWaalsContact O-CG 3.26Å; L243-R247 WeakPolarHBondContact O-CG 3.29Å; L243-R247 PolarHBondContact O-N 3.22Å; R247-N249 VanDerWaalsContact C-N 3.3Å; R247-N249 PolarHBondContact O-N 2.93Å; R247-L250 PolarHBondContact O-N 2.88Å; R247-T251 PolarHBondContact O-N 3.01Å; R247-T251 PolarHBondContact O-OG1 3.39Å; R247-T251 VanDerWaalsContact O-OG1 3.06Å
248K84.8Confident82Confident105 Ų10587.8 Ų87.846%0.45744%0.439SS..Hα-helixtrans-60.8-36.9179.1-179173.8161-1450112.2K244 E245 M246 K252K244-K248 WeakPolarHBondContact O-CB 3.34Å; K244-K248 PolarHBondContact O-N 2.93Å; E245-K248 PolarHBondContact O-N 3.1Å; E245-K248 IonicContact OE1-NZ 3.74Å; E245-K248 PolarHBondContact OE1-NZ 3.34Å; E245-K248 WeakPolarHBondContact OE2-CD 3.43Å; E245-K248 IonicContact OE2-NZ 2.7Å; E245-K248 PolarHBondContact OE2-NZ 3.47Å; M246-K248 PolarHBondContact O-N 3.49Å; K248-K252 HydrophobicContact CG-CD 4.41Å; K248-K252 WeakPolarHBondContact O-CB 3.49Å; K248-K252 WeakPolarHBondContact O-CD 3.37Å; K248-K252 WeakPolarHBondContact O-CG 3.39Å; K248-K252 PolarHBondContact O-N 2.86Å
249N88.6Confident82.4Confident63 Ų6395.3 Ų95.334%0.33747%0.474SS..Hα-helixtrans-69.3-48.5173.9-165.862.6000111.7E245 M246 R247 T251 K252 E253E245-N249 WeakPolarHBondContact O-CB 3.5Å; E245-N249 PolarHBondContact O-N 3.04Å; M246-N249 PolarHBondContact O-N 3.08Å; R247-N249 VanDerWaalsContact C-N 3.3Å; R247-N249 PolarHBondContact O-N 2.93Å; N249-T251 VanDerWaalsContact C-N 3.32Å; N249-T251 PolarHBondContact O-N 3.27Å; N249-K252 WeakPolarHBondContact O-CB 3.33Å; N249-K252 PolarHBondContact O-N 2.75Å; N249-K252 VanDerWaalsContact O-N 3.14Å; N249-E253 PolarHBondContact ND2-OE1 3.26Å; N249-E253 PolarHBondContact ND2-OE2 2.87Å; N249-E253 WeakPolarHBondContact O-CB 3.31Å; N249-E253 WeakPolarHBondContact O-CG 3.39Å; N249-E253 PolarHBondContact O-N 3.09Å
250L88.4Confident82.3Confident102 Ų102100.8 Ų100.853%0.53450%0.5SS..Hα-helixtrans-56.7-43.4176-77161.5000112.3M246 R247 E253 A254M246-L250 HydrophobicContact CG-CD1 4.06Å; M246-L250 WeakPolarHBondContact O-CG 3.42Å; M246-L250 PolarHBondContact O-N 3.03Å; R247-L250 PolarHBondContact O-N 2.88Å; L250-E253 PolarHBondContact O-N 3.11Å; L250-A254 WeakPolarHBondContact O-CB 3.44Å; L250-A254 PolarHBondContact O-N 2.96Å
251T88.2Confident81.7Confident90 Ų90102.8 Ų102.855%0.55252%0.518SS*.Hα-helixtrans-65.9-43175.8-56.80000111.7R247 N249 E253 V255R247-T251 PolarHBondContact O-N 3.01Å; R247-T251 PolarHBondContact O-OG1 3.39Å; R247-T251 VanDerWaalsContact O-OG1 3.06Å; N249-T251 VanDerWaalsContact C-N 3.32Å; N249-T251 PolarHBondContact O-N 3.27Å; T251-E253 VanDerWaalsContact C-N 3.31Å; T251-E253 PolarHBondContact O-N 3.41Å; T251-V255 WeakPolarHBondContact O-CB 3.15Å; T251-V255 VanDerWaalsContact O-CG2 3.26Å; T251-V255 WeakPolarHBondContact O-CG2 3.5Å; T251-V255 PolarHBondContact O-N 2.88Å
252K89.5Confident81.4Confident96 Ų96101.4 Ų101.442%0.41751%0.514SS..Hα-helixtrans-60.7-40.5174.1-75163.3178.4170.90111.8E245 K248 N249 R256E245-K252 IonicContact OE1-NZ 3.65Å; E245-K252 PolarHBondContact OE1-NZ 3.16Å; K248-K252 HydrophobicContact CG-CD 4.41Å; K248-K252 WeakPolarHBondContact O-CB 3.49Å; K248-K252 WeakPolarHBondContact O-CD 3.37Å; K248-K252 WeakPolarHBondContact O-CG 3.39Å; K248-K252 PolarHBondContact O-N 2.86Å; N249-K252 WeakPolarHBondContact O-CB 3.33Å; N249-K252 PolarHBondContact O-N 2.75Å; N249-K252 VanDerWaalsContact O-N 3.14Å; K252-R256 WeakPolarHBondContact O-CB 3.36Å; K252-R256 PolarHBondContact O-N 3.28Å
253E88.4Confident80.8Confident81 Ų8199.7 Ų99.738%0.37952%0.515SS..Hα-helixtrans-69.3-45.8179.7-76.6174.7171.300111.7N249 L250 T251 V255 R256 D257N249-E253 PolarHBondContact ND2-OE1 3.26Å; N249-E253 PolarHBondContact ND2-OE2 2.87Å; N249-E253 WeakPolarHBondContact O-CB 3.31Å; N249-E253 WeakPolarHBondContact O-CG 3.39Å; N249-E253 PolarHBondContact O-N 3.09Å; L250-E253 PolarHBondContact O-N 3.11Å; T251-E253 VanDerWaalsContact C-N 3.31Å; T251-E253 PolarHBondContact O-N 3.41Å; E253-V255 VanDerWaalsContact C-N 3.32Å; E253-V255 PolarHBondContact O-N 3.5Å; E253-R256 WeakPolarHBondContact O-CB 3.35Å; E253-R256 PolarHBondContact O-N 2.86Å; E253-R256 VanDerWaalsContact O-N 3.17Å; E253-D257 WeakPolarHBondContact O-CB 3.49Å; E253-D257 PolarHBondContact O-N 3.19Å
254A89.5Confident80.6Confident62 Ų62100.2 Ų100.251%0.51254%0.536SS..Hα-helixtrans-60.9-39.7174.400000112.4L250 H258L250-A254 WeakPolarHBondContact O-CB 3.44Å; L250-A254 PolarHBondContact O-N 2.96Å; A254-H258 VanDerWaalsContact O-CB 3.3Å; A254-H258 WeakPolarHBondContact O-CB 3.47Å; A254-H258 PolarHBondContact O-N 3.41Å
255V87.9Confident80.5Confident74 Ų7498.3 Ų98.345%0.44854%0.536SS..Hα-helixtrans-65.6-42.3173.9169.40000111.3T251 E253 Q259T251-V255 WeakPolarHBondContact O-CB 3.15Å; T251-V255 VanDerWaalsContact O-CG2 3.26Å; T251-V255 WeakPolarHBondContact O-CG2 3.5Å; T251-V255 PolarHBondContact O-N 2.88Å; E253-V255 VanDerWaalsContact C-N 3.32Å; E253-V255 PolarHBondContact O-N 3.5Å; V255-Q259 WeakPolarHBondContact O-CB 3.4Å; V255-Q259 VanDerWaalsContact O-CG 3.28Å; V255-Q259 WeakPolarHBondContact O-CG 3.32Å; V255-Q259 PolarHBondContact O-N 3.43Å
256R85.6Confident80.5Confident122 Ų12297.8 Ų97.846%0.4654%0.539SS..Hα-helixtrans-62.8-48.2177.4-171.7-165.2-56.8134.63.9111.5K252 E253 Q259 M260K252-R256 WeakPolarHBondContact O-CB 3.36Å; K252-R256 PolarHBondContact O-N 3.28Å; E253-R256 WeakPolarHBondContact O-CB 3.35Å; E253-R256 PolarHBondContact O-N 2.86Å; E253-R256 VanDerWaalsContact O-N 3.17Å; R256-Q259 PolarHBondContact O-N 3.24Å; R256-M260 HydrophobicContact CG-CE 4.1Å; R256-M260 HydrophobicContact CG-SD 3.96Å; R256-M260 WeakPolarHBondContact O-CB 3.31Å; R256-M260 VanDerWaalsContact O-CG 3.3Å; R256-M260 WeakPolarHBondContact O-CG 3.2Å; R256-M260 PolarHBondContact O-N 3.14Å
257D83.4Confident80.7Confident123 Ų12399.5 Ų99.566%0.65855%0.546SS*.Hα-helixtrans-60.1-46.5178.9-173.459.3000111.1E253 Q259 M260 A261E253-D257 WeakPolarHBondContact O-CB 3.49Å; E253-D257 PolarHBondContact O-N 3.19Å; D257-Q259 VanDerWaalsContact C-N 3.32Å; D257-Q259 PolarHBondContact O-N 2.98Å; D257-M260 CarbonylContact O-C 3.58Å; D257-M260 PolarHBondContact O-N 3.44Å; D257-A261 PolarHBondContact O-N 3.26Å
258H81.1Confident80.8Confident155 Ų15595.1 Ų95.172%0.71853%0.531SS*.Hα-helixtrans-64.1-34.3177.1-16364.8000113.3A254 M260A254-H258 VanDerWaalsContact O-CB 3.3Å; A254-H258 WeakPolarHBondContact O-CB 3.47Å; A254-H258 PolarHBondContact O-N 3.41Å; H258-M260 VanDerWaalsContact C-N 3.32Å
259Q76.8Confident81Confident159 Ų15995.4 Ų95.474%0.74354%0.538SS*.Hα-helixtrans-73.1-22172.6-73.3175.83.400113.4V255 R256 D257V255-Q259 WeakPolarHBondContact O-CB 3.4Å; V255-Q259 VanDerWaalsContact O-CG 3.28Å; V255-Q259 WeakPolarHBondContact O-CG 3.32Å; V255-Q259 PolarHBondContact O-N 3.43Å; R256-Q259 PolarHBondContact O-N 3.24Å; D257-Q259 VanDerWaalsContact C-N 3.32Å; D257-Q259 PolarHBondContact O-N 2.98Å
260M70.3Confident81Confident128 Ų12899.5 Ų99.563%0.63156%0.559SS**THydrogen-bonded Turntrans-938.1-179.4-74.3-177.1166.800114R256 D257 H258 T262R256-M260 HydrophobicContact CG-CE 4.1Å; R256-M260 HydrophobicContact CG-SD 3.96Å; R256-M260 WeakPolarHBondContact O-CB 3.31Å; R256-M260 VanDerWaalsContact O-CG 3.3Å; R256-M260 WeakPolarHBondContact O-CG 3.2Å; R256-M260 PolarHBondContact O-N 3.14Å; D257-M260 CarbonylContact O-C 3.58Å; D257-M260 PolarHBondContact O-N 3.44Å; H258-M260 VanDerWaalsContact C-N 3.32Å; M260-T262 VanDerWaalsContact C-N 3.3Å; M260-T262 PolarHBondContact O-N 3.28Å; M260-T262 PolarHBondContact O-OG1 3.13Å
261A62Low81Confident76 Ų7696 Ų9663%0.62854%0.54SS*.  trans-60.987.3174.900000111.3D257 T263D257-A261 PolarHBondContact O-N 3.26Å; A261-T263 PolarHBondContact O-N 3.36Å
262T66Low81.2Confident101 Ų10195.5 Ų95.562%0.6254%0.536SS*.PPolyproline II helixtrans-65.4128.9-172.7-47.50000109.6M260 G264M260-T262 VanDerWaalsContact C-N 3.3Å; M260-T262 PolarHBondContact O-N 3.28Å; M260-T262 PolarHBondContact O-OG1 3.13Å; T262-G264 PolarHBondContact O-N 3.49Å
263T64.6Low81.4Confident121 Ų12191 Ų9174%0.74252%0.517SS*.PPolyproline II helixtrans-58.8125.8-177.650.70000111.4A261A261-T263 PolarHBondContact O-N 3.36Å
264G70.6Confident81.5Confident75 Ų7590.6 Ų90.677%0.77354%0.535SS*.PPolyproline II helixtrans-64.7149-159.700000117.1T262T262-G264 PolarHBondContact O-N 3.49Å
265G75.1Confident81.6Confident32 Ų3295 Ų9533%0.3354%0.542SS..  trans165.4149.9172.500000109Q267G265-Q267 PolarHBondContact O-N 3.42Å
266T83.1Confident81.8Confident75 Ų7594 Ų9446%0.4654%0.538SS..EExtended strand (participates in β ladder)trans-73.5117.8178.632.50000109.4T282 Y283T266-T282 CarbonylContact O-C 3.59Å; T266-T282 VanDerWaalsContact O-CA 3.3Å; T266-T282 WeakPolarHBondContact O-CA 3.42Å; T266-Y283 PolarHBondContact N-O 2.91Å; T266-Y283 VanDerWaalsContact N-O 3.13Å; T266-Y283 VanDerWaalsContact O-CD1 3.26Å; T266-Y283 WeakPolarHBondContact O-CD1 3.49Å; T266-Y283 PolarHBondContact O-N 3.15Å; T266-Y283 WeakPolarHBondContact OG1-CD1 3.49Å; T266-Y283 WeakPolarHBondContact OG1-CE1 3.26Å; T266-Y283 VanDerWaalsContact OG1-CZ 3.28Å; T266-Y283 PolarHBondContact OG1-O 3.24Å
267Q86.3Confident82.1Confident139 Ų13996.6 Ų96.665%0.6555%0.553SS**EExtended strand (participates in β ladder)trans-63.7137.5176.6-65.3-169.1-700110.2G265 C281 T282G265-Q267 PolarHBondContact O-N 3.42Å; Q267-C281 WeakPolarHBondContact CA-O 3.2Å; Q267-T282 HydrophobicContact CG-CG2 3.96Å
268T86.6Confident82.4Confident18 Ų1891.4 Ų91.411%0.1153%0.528CS..EExtended strand (participates in β ladder)trans-154.8137.3-175.3-174.50000111.8L270 F271 K279 C281 Y283T268-L270 WeakPolarHBondContact OG1-CB 3.42Å; T268-L270 WeakPolarHBondContact OG1-CD1 3.44Å; T268-L270 PolarHBondContact OG1-N 3.36Å; T268-F271 HydrophobicContact CG2-CD2 3.69Å; T268-F271 HydrophobicContact CG2-CE2 4.19Å; T268-K279 VanDerWaalsContact O-O 3.05Å; T268-C281 PolarHBondContact N-O 3.13Å; T268-C281 VanDerWaalsContact O-O 3.13Å; T268-Y283 HydrophobicContact CG2-CD1 3.47Å; T268-Y283 VanDerWaalsContact CG2-CD1 3.47Å; T268-Y283 HydrophobicContact CG2-CE1 4.26Å; T268-Y283 HydrophobicContact CG2-CG 4.24Å
269D88.4Confident82.9Confident112 Ų11289.6 Ų89.660%0.59952%0.518SS*.SBendtrans-93.62.4171.7-71.4-44.1000113F271 K279D269-F271 PolarHBondContact O-N 2.85Å; D269-K279 HydrophobicContact CB-CB 4.23Å; D269-K279 HydrophobicContact CB-CD 4.46Å; D269-K279 WeakPolarHBondContact OD1-CB 3.46Å
270L88.3Confident83.5Confident148 Ų14884.9 Ų84.978%0.77550%0.498SS*.SBendtrans-65-26.8179.5-85.368.1000112.2T268T268-L270 WeakPolarHBondContact OG1-CB 3.42Å; T268-L270 WeakPolarHBondContact OG1-CD1 3.44Å; T268-L270 PolarHBondContact OG1-N 3.36Å
271F89.3Confident84.4Confident30 Ų3078.8 Ų78.813%0.13247%0.468CS..  trans-108.3123-176.9-60.1-67.5000111.5T268 D269 C281 Y283 T297 V299 W308 F310T268-F271 HydrophobicContact CG2-CD2 3.69Å; T268-F271 HydrophobicContact CG2-CE2 4.19Å; D269-F271 PolarHBondContact O-N 2.85Å; F271-C281 HydrophobicContact CB-CB 4.36Å; F271-C281 PolarHBondContact O-SG 3.3Å; F271-Y283 HydrophobicContact CE2-CG 4.4Å; F271-T297 HydrophobicContact CE2-CG2 4.23Å; F271-T297 HydrophobicContact CZ-CG2 4.01Å; F271-V299 HydrophobicContact CB-CG1 3.7Å; F271-V299 HydrophobicContact CD1-CG2 4.03Å; F271-V299 HydrophobicContact CD2-CB 4.35Å; F271-V299 HydrophobicContact CD2-CG1 3.73Å; F271-V299 HydrophobicContact CD2-CG2 3.59Å; F271-V299 HydrophobicContact CE1-CG2 4.06Å; F271-V299 HydrophobicContact CE2-CG2 3.62Å; F271-V299 HydrophobicContact CG-CB 4.46Å; F271-V299 HydrophobicContact CG-CG1 3.78Å; F271-V299 HydrophobicContact CG-CG2 3.81Å; F271-V299 HydrophobicContact CZ-CG2 3.86Å; F271-W308 HydrophobicContact CB-CZ2 4.11Å; F271-F310 HydrophobicContact CD1-CD2 4.37Å; F271-F310 HydrophobicContact CE1-CB 4.13Å; F271-F310 HydrophobicContact CE1-CD1 4.17Å; F271-F310 AromaticContact CE1-CD2 3.83Å; F271-F310 HydrophobicContact CE1-CD2 3.83Å; F271-F310 HydrophobicContact CE1-CE2 4.25Å; F271-F310 AromaticContact CE1-CG 3.78Å; F271-F310 HydrophobicContact CE1-CG 3.78Å; F271-F310 HydrophobicContact CZ-CG 4.42Å
272T92.1Very high85.8Confident78 Ų7875.7 Ų75.748%0.47944%0.441SS..  trans-93.9128.6172.2-570000109.8G274 K277T272-G274 PolarHBondContact O-N 3.46Å; T272-K277 WeakPolarHBondContact CG2-O 3.49Å
273C92.8Very high87Confident1 Ų174.3 Ų74.31%0.00743%0.425CS..  trans-73.5125.2-178.1-174.60000112.3K275 K277 G278 C301 C304 W308C273-K275 PolarHBondContact O-N 3.24Å; C273-K275 VanDerWaalsContact O-N 3.15Å; C273-K277 WeakPolarHBondContact O-CA 3.32Å; C273-K277 PolarHBondContact O-N 2.87Å; C273-G278 WeakPolarHBondContact CB-O 3.3Å; C273-G278 PolarHBondContact N-O 2.77Å; C273-C301 HydrophobicContact CB-CB 3.87Å; C273-C304 PolarHBondContact SG-SG 2.97Å; C273-W308 HydrophobicContact CB-CH2 3.99Å; C273-W308 HydrophobicContact CB-CZ3 4.4Å
274G91.3Very high88.2Confident73 Ų7371.8 Ų71.875%0.75341%0.41SS*.THydrogen-bonded Turntrans-62.6-19.2177.900000115.8T272T272-G274 PolarHBondContact O-N 3.46Å
275K92.3Very high89Confident155 Ų15572.9 Ų72.967%0.67440%0.395SS*.THydrogen-bonded Turntrans-89.9-58.6179.1-72.3-172.8179.5160.80113.2C273 N306C273-K275 PolarHBondContact O-N 3.24Å; C273-K275 VanDerWaalsContact O-N 3.15Å; K275-N306 HydrophobicContact CD-CB 4.1Å; K275-N306 WeakPolarHBondContact CD-OD1 3.4Å; K275-N306 WeakPolarHBondContact CE-OD1 3.09Å; K275-N306 PolarHBondContact NZ-OD1 2.8Å
276C92.7Very high89.6Confident54 Ų5474.5 Ų74.537%0.36540%0.398SS..THydrogen-bonded Turntrans-94.8-6-176.866.40000114.5G278 C304C276-G278 PolarHBondContact O-N 3.27Å; C276-C304 HydrophobicContact CB-CB 4.15Å; C276-C304 VanDerWaalsContact SG-SG 3.66Å
277K91.8Very high89.8Confident175 Ų17576.7 Ų76.776%0.76140%0.403SS*.  trans59.26.3-173.1-56.4-177.7-179.5179.70115.4T272 C273T272-K277 WeakPolarHBondContact CG2-O 3.49Å; C273-K277 WeakPolarHBondContact O-CA 3.32Å; C273-K277 PolarHBondContact O-N 2.87Å
278G89.2Confident89.5Confident14 Ų1473.7 Ų73.714%0.14439%0.394CS..  trans-76.3156.1173.100000113.1C273 C276C273-G278 WeakPolarHBondContact CB-O 3.3Å; C273-G278 PolarHBondContact N-O 2.77Å; C276-G278 PolarHBondContact O-N 3.27Å
279K90.9Very high89.4Confident117 Ų11779.9 Ų79.951%0.50942%0.416SS..  trans-97.2-14179.1-64.1-171.7179.6-1740114.7T268 D269 C281T268-K279 VanDerWaalsContact O-O 3.05Å; D269-K279 HydrophobicContact CB-CB 4.23Å; D269-K279 HydrophobicContact CB-CD 4.46Å; D269-K279 WeakPolarHBondContact OD1-CB 3.46Å; K279-C281 VanDerWaalsContact C-N 3.31Å; K279-C281 PolarHBondContact O-N 2.95Å
280N89.1Confident89.1Confident61 Ų6178.4 Ų78.433%0.32641%0.414SS..  trans-66.389.1179.1-177.74.4000111.1Q302 Q303N280-Q302 PolarHBondContact O-N 2.85Å; N280-Q302 PolarHBondContact OD1-NE2 2.86Å; N280-Q303 HydrophobicContact CB-CG 4.19Å
281C90.2Very high88.6Confident0 Ų075.5 Ų75.50%041%0.412CS..EExtended strand (participates in β ladder)trans-125.8152.2179.9-59.40000110.1Q267 T268 F271 K279 V299 F300Q267-C281 WeakPolarHBondContact CA-O 3.2Å; T268-C281 PolarHBondContact N-O 3.13Å; T268-C281 VanDerWaalsContact O-O 3.13Å; F271-C281 HydrophobicContact CB-CB 4.36Å; F271-C281 PolarHBondContact O-SG 3.3Å; K279-C281 VanDerWaalsContact C-N 3.31Å; K279-C281 PolarHBondContact O-N 2.95Å; C281-V299 HydrophobicContact CB-CG1 3.89Å; C281-F300 CarbonylContact C-O 3.42Å; C281-F300 WeakPolarHBondContact CA-O 3.45Å
282T91.3Very high88.4Confident10 Ų1081.5 Ų81.56%0.06145%0.445CS..EExtended strand (participates in β ladder)trans-105.7151.7161.7520000109.5T266 Q267 V299 F300 Q302T266-T282 CarbonylContact O-C 3.59Å; T266-T282 VanDerWaalsContact O-CA 3.3Å; T266-T282 WeakPolarHBondContact O-CA 3.42Å; Q267-T282 HydrophobicContact CG-CG2 3.96Å; T282-V299 WeakPolarHBondContact O-CA 3.3Å; T282-F300 PolarHBondContact N-O 3.22Å; T282-F300 PolarHBondContact O-N 2.8Å; T282-Q302 HydrophobicContact CG2-CG 4.13Å
283Y90.6Very high87.9Confident72 Ų7281.6 Ų81.628%0.28244%0.44SS..EExtended strand (participates in β ladder)trans-124.4154.5169.680.1-78.2000111.8T266 T268 F271 Q285 T297 F298T266-Y283 PolarHBondContact N-O 2.91Å; T266-Y283 VanDerWaalsContact N-O 3.13Å; T266-Y283 VanDerWaalsContact O-CD1 3.26Å; T266-Y283 WeakPolarHBondContact O-CD1 3.49Å; T266-Y283 PolarHBondContact O-N 3.15Å; T266-Y283 WeakPolarHBondContact OG1-CD1 3.49Å; T266-Y283 WeakPolarHBondContact OG1-CE1 3.26Å; T266-Y283 VanDerWaalsContact OG1-CZ 3.28Å; T266-Y283 PolarHBondContact OG1-O 3.24Å; T268-Y283 HydrophobicContact CG2-CD1 3.47Å; T268-Y283 VanDerWaalsContact CG2-CD1 3.47Å; T268-Y283 HydrophobicContact CG2-CE1 4.26Å; T268-Y283 HydrophobicContact CG2-CG 4.24Å; F271-Y283 HydrophobicContact CE2-CG 4.4Å; Y283-Q285 HydrophobicContact CD2-CG 3.91Å; Y283-Q285 HydrophobicContact CE2-CG 3.97Å; Y283-T297 HydrophobicContact CD2-CG2 4.07Å; Y283-F298 CarbonylContact C-O 3.56Å; Y283-F298 WeakPolarHBondContact CA-O 3.37Å
284T89.6Confident87.3Confident68 Ų6886.2 Ų86.242%0.41747%0.47SS..EExtended strand (participates in β ladder)trans-143.6124.9173.2-53.80000108.2V286 F298T284-V286 HydrophobicContact CG2-CG2 4.04Å; T284-F298 PolarHBondContact N-O 3.02Å; T284-F298 PolarHBondContact O-N 3.33Å
285Q88.1Confident87.1Confident99 Ų9988 Ų8846%0.46346%0.46SS..EExtended strand (participates in β ladder)trans-94.9127.6178.3-62.3-178.7-5700109.5Y283 M295 T296 T297Y283-Q285 HydrophobicContact CD2-CG 3.91Å; Y283-Q285 HydrophobicContact CE2-CG 3.97Å; Q285-M295 HydrophobicContact CB-CG 4.37Å; Q285-M295 HydrophobicContact CB-SD 3.81Å; Q285-M295 HydrophobicContact CG-SD 4.14Å; Q285-T296 WeakPolarHBondContact CA-O 3.18Å; Q285-T297 HydrophobicContact CG-CG2 4.23Å; Q285-T297 PolarHBondContact NE2-OG1 2.88Å
286V87.2Confident87Confident66 Ų6681.5 Ų81.540%0.443%0.434SS..EExtended strand (participates in β ladder)trans-136.9130.3-179.2-172.40000108.6T284 T288 T296 F298T284-V286 HydrophobicContact CG2-CG2 4.04Å; V286-T288 HydrophobicContact CB-CG2 4.07Å; V286-T288 HydrophobicContact CG1-CG2 3.89Å; V286-T288 PolarHBondContact O-N 3.48Å; V286-T296 PolarHBondContact N-O 2.93Å; V286-T296 WeakPolarHBondContact O-CB 3.22Å; V286-T296 PolarHBondContact O-N 3.03Å; V286-F298 HydrophobicContact CB-CD2 4.3Å; V286-F298 HydrophobicContact CB-CE2 4.1Å; V286-F298 HydrophobicContact CG2-CD2 4.2Å; V286-F298 HydrophobicContact CG2-CE2 4.41Å
287Q87.2Confident86.9Confident121 Ų12179.7 Ų79.757%0.56542%0.421SS*.  trans-75.4105.4168.9-170.4166.824.800108.2
288T81.6Confident86.8Confident75 Ų7573.8 Ų73.846%0.4640%0.395SS..  trans-104.46.4-175.762.20000113.5V286 T296 F298V286-T288 HydrophobicContact CB-CG2 4.07Å; V286-T288 HydrophobicContact CG1-CG2 3.89Å; V286-T288 PolarHBondContact O-N 3.48Å; T288-T296 PolarHBondContact OG1-OG1 3.08Å; T288-F298 HydrophobicContact CG2-CE2 3.71Å; T288-F298 HydrophobicContact CG2-CZ 3.93Å
289R83.2Confident86.9Confident149 Ų14973.1 Ų73.156%0.56239%0.388SS*.SBendtrans-145.2-179.9-171.2-65.9-173.2164.9-154.2-7.8110.5E293R289-E293 HydrophobicContact CB-CB 4.07Å; R289-E293 WeakPolarHBondContact CD-OE1 3.39Å; R289-E293 WeakPolarHBondContact CD-OE2 3.32Å; R289-E293 IonicContact CZ-OE1 3.27Å; R289-E293 IonicContact CZ-OE2 2.94Å; R289-E293 IonicContact NE-OE2 3.57Å; R289-E293 IonicContact NH1-OE1 3.58Å; R289-E293 PolarHBondContact NH1-OE1 3.21Å; R289-E293 IonicContact NH1-OE2 2.77Å; R289-E293 PolarHBondContact NH1-OE2 3.07Å
290S82.6Confident87Confident80 Ų8071.3 Ų71.356%0.55938%0.381SS*.  trans-50.7159.6179.5-54.20000113.6D292 E293S290-D292 PolarHBondContact O-N 3.03Å; S290-D292 VanDerWaalsContact O-N 3.09Å; S290-E293 PolarHBondContact O-N 3.26Å; S290-E293 VanDerWaalsContact O-N 3.07Å
291A76.9Confident87Confident88 Ų8868.4 Ų68.473%0.72737%0.365SS*.THydrogen-bonded Turntrans-56.1-27.5179.900000113.6E293A291-E293 VanDerWaalsContact C-N 3.34Å
292D86.3Confident87Confident155 Ų15571.2 Ų71.283%0.82938%0.378SS*.THydrogen-bonded Turntrans-80.5-7.7-178.2-44.3-72.5000114.3S290S290-D292 PolarHBondContact O-N 3.03Å; S290-D292 VanDerWaalsContact O-N 3.09Å
293E80.4Confident86.8Confident80 Ų8076.3 Ų76.337%0.37440%0.401SS..SBendtrans-104.2141.7176.9-72.6-160.8-133.200112.4R289 S290 A291R289-E293 HydrophobicContact CB-CB 4.07Å; R289-E293 WeakPolarHBondContact CD-OE1 3.39Å; R289-E293 WeakPolarHBondContact CD-OE2 3.32Å; R289-E293 IonicContact CZ-OE1 3.27Å; R289-E293 IonicContact CZ-OE2 2.94Å; R289-E293 IonicContact NE-OE2 3.57Å; R289-E293 IonicContact NH1-OE1 3.58Å; R289-E293 PolarHBondContact NH1-OE1 3.21Å; R289-E293 IonicContact NH1-OE2 2.77Å; R289-E293 PolarHBondContact NH1-OE2 3.07Å; S290-E293 PolarHBondContact O-N 3.26Å; S290-E293 VanDerWaalsContact O-N 3.07Å; A291-E293 VanDerWaalsContact C-N 3.34Å
294P81.9Confident86.8Confident99 Ų9975.4 Ų75.464%0.64341%0.405SS*.PPolyproline II helixtrans-67.1157.4-179.528.8-35.5000112.8T296P294-T296 PolarHBondContact O-N 2.88Å
295M86.8Confident86.7Confident111 Ų11174.2 Ų74.255%0.54741%0.406SS..PPolyproline II helixtrans-58.8133.4-179.665.2-178.174.300112.5Q285Q285-M295 HydrophobicContact CB-CG 4.37Å; Q285-M295 HydrophobicContact CB-SD 3.81Å; Q285-M295 HydrophobicContact CG-SD 4.14Å
296T89.4Confident86.9Confident18 Ų1871 Ų7111%0.1139%0.392CS..EExtended strand (participates in β ladder)trans-82.7126.1177.9-46.90000109.8Q285 V286 T288 P294 F298 K309Q285-T296 WeakPolarHBondContact CA-O 3.18Å; V286-T296 PolarHBondContact N-O 2.93Å; V286-T296 WeakPolarHBondContact O-CB 3.22Å; V286-T296 PolarHBondContact O-N 3.03Å; T288-T296 PolarHBondContact OG1-OG1 3.08Å; P294-T296 PolarHBondContact O-N 2.88Å; T296-F298 HydrophobicContact CG2-CE2 4Å; T296-F298 HydrophobicContact CG2-CZ 4.13Å; T296-K309 HydrophobicContact CG2-CB 4.27Å
297T90.3Very high87Confident15 Ų1575.9 Ų75.99%0.09240%0.403CS..EExtended strand (participates in β ladder)trans-91.8113.1176.7-59.50000109.7F271 Y283 Q285 V299 K309 F310F271-T297 HydrophobicContact CE2-CG2 4.23Å; F271-T297 HydrophobicContact CZ-CG2 4.01Å; Y283-T297 HydrophobicContact CD2-CG2 4.07Å; Q285-T297 HydrophobicContact CG-CG2 4.23Å; Q285-T297 PolarHBondContact NE2-OG1 2.88Å; T297-V299 HydrophobicContact CG2-CG2 4.15Å; T297-K309 CarbonylContact O-C 3.59Å; T297-K309 WeakPolarHBondContact O-CA 2.93Å; T297-F310 PolarHBondContact N-O 3.09Å; T297-F310 PolarHBondContact O-N 3.07Å
298F90.7Very high87.2Confident51 Ų5173 Ų7322%0.22439%0.387CS..EExtended strand (participates in β ladder)trans-88.7132.2170-67.4-87.7000109.5Y283 T284 V286 T288 T296Y283-F298 CarbonylContact C-O 3.56Å; Y283-F298 WeakPolarHBondContact CA-O 3.37Å; T284-F298 PolarHBondContact N-O 3.02Å; T284-F298 PolarHBondContact O-N 3.33Å; V286-F298 HydrophobicContact CB-CD2 4.3Å; V286-F298 HydrophobicContact CB-CE2 4.1Å; V286-F298 HydrophobicContact CG2-CD2 4.2Å; V286-F298 HydrophobicContact CG2-CE2 4.41Å; T288-F298 HydrophobicContact CG2-CE2 3.71Å; T288-F298 HydrophobicContact CG2-CZ 3.93Å; T296-F298 HydrophobicContact CG2-CE2 4Å; T296-F298 HydrophobicContact CG2-CZ 4.13Å
299V91.5Very high87.7Confident1 Ų176.4 Ų76.41%0.00640%0.396CS..EExtended strand (participates in β ladder)trans-119.1136.3178.7-172.30000109.1F271 C281 T282 T297 R307 W308 F310F271-V299 HydrophobicContact CB-CG1 3.7Å; F271-V299 HydrophobicContact CD1-CG2 4.03Å; F271-V299 HydrophobicContact CD2-CB 4.35Å; F271-V299 HydrophobicContact CD2-CG1 3.73Å; F271-V299 HydrophobicContact CD2-CG2 3.59Å; F271-V299 HydrophobicContact CE1-CG2 4.06Å; F271-V299 HydrophobicContact CE2-CG2 3.62Å; F271-V299 HydrophobicContact CG-CB 4.46Å; F271-V299 HydrophobicContact CG-CG1 3.78Å; F271-V299 HydrophobicContact CG-CG2 3.81Å; F271-V299 HydrophobicContact CZ-CG2 3.86Å; C281-V299 HydrophobicContact CB-CG1 3.89Å; T282-V299 WeakPolarHBondContact O-CA 3.3Å; T297-V299 HydrophobicContact CG2-CG2 4.15Å; V299-R307 CarbonylContact O-C 3.53Å; V299-R307 VanDerWaalsContact O-CA 3.32Å; V299-R307 WeakPolarHBondContact O-CA 3.4Å; V299-W308 HydrophobicContact CB-CD2 4.04Å; V299-W308 HydrophobicContact CB-CE3 4.46Å; V299-W308 HydrophobicContact CB-CH2 4.41Å; V299-W308 HydrophobicContact CB-CZ2 4.01Å; V299-W308 HydrophobicContact CG1-CD2 4.35Å; V299-W308 HydrophobicContact CG1-CH2 3.67Å; V299-W308 HydrophobicContact CG1-CZ2 3.48Å; V299-W308 VanDerWaalsContact CG1-CZ2 3.48Å; V299-W308 HydrophobicContact CG1-CZ3 4.18Å; V299-W308 PolarHBondContact N-O 2.68Å; V299-W308 PolarHBondContact O-N 2.96Å; V299-F310 HydrophobicContact CG2-CB 4.43Å
300F91.4Very high87.6Confident78 Ų7874.8 Ų74.834%0.34239%0.393SS..EExtended strand (participates in β ladder)trans-129.1125.6178.2174.1-97.1000109.9C281 T282 Q302 G305 N306 R307C281-F300 CarbonylContact C-O 3.42Å; C281-F300 WeakPolarHBondContact CA-O 3.45Å; T282-F300 PolarHBondContact N-O 3.22Å; T282-F300 PolarHBondContact O-N 2.8Å; F300-Q302 HydrophobicContact CD1-CG 4.49Å; F300-G305 WeakPolarHBondContact CE2-O 3.45Å; F300-N306 WeakPolarHBondContact CA-O 3.47Å; F300-R307 HydrophobicContact CD2-CB 4.23Å
301C91Very high86.8Confident0 Ų078.5 Ų78.50%042%0.417CS..EExtended strand (participates in β ladder)trans-86.2117.9176.5179.40000110.8C273 Q303 C304 G305 N306 W308C273-C301 HydrophobicContact CB-CB 3.87Å; C301-Q303 PolarHBondContact O-N 2.94Å; C301-C304 VanDerWaalsContact SG-SG 3.69Å; C301-G305 WeakPolarHBondContact O-CA 2.98Å; C301-G305 PolarHBondContact O-N 2.96Å; C301-N306 HydrophobicContact CB-CB 4.38Å; C301-N306 PolarHBondContact N-O 3.44Å; C301-W308 HydrophobicContact CB-CH2 4.32Å; C301-W308 HydrophobicContact CB-CZ3 3.96Å
302Q88.3Confident87.2Confident60 Ų6078.1 Ų78.128%0.2840%0.401SS..THydrogen-bonded Turntrans-66.9-22.9-179.4-62.7-165.876.900113.1N280 T282 F300N280-Q302 PolarHBondContact O-N 2.85Å; N280-Q302 PolarHBondContact OD1-NE2 2.86Å; T282-Q302 HydrophobicContact CG2-CG 4.13Å; F300-Q302 HydrophobicContact CD1-CG 4.49Å
303Q88.1Confident87.3Confident117 Ų11774 Ų7455%0.54738%0.379SS..THydrogen-bonded Turntrans-82.8-29.9-177.2-70.5178.1-18.500114.7N280 C301N280-Q303 HydrophobicContact CB-CG 4.19Å; C301-Q303 PolarHBondContact O-N 2.94Å
304C90.7Very high87.7Confident53 Ų5373.7 Ų73.736%0.35838%0.379SS..THydrogen-bonded Turntrans-134.78.2-175.268.30000114.4C273 C276 C301 N306C273-C304 PolarHBondContact SG-SG 2.97Å; C276-C304 HydrophobicContact CB-CB 4.15Å; C276-C304 VanDerWaalsContact SG-SG 3.66Å; C301-C304 VanDerWaalsContact SG-SG 3.69Å; C304-N306 PolarHBondContact O-N 3.21Å; C304-N306 VanDerWaalsContact O-N 3.08Å
305G88.1Confident88Confident42 Ų4272.2 Ų72.243%0.43336%0.364SS..  trans66.96.217900000115.1F300 C301 R307F300-G305 WeakPolarHBondContact CE2-O 3.45Å; C301-G305 WeakPolarHBondContact O-CA 2.98Å; C301-G305 PolarHBondContact O-N 2.96Å; G305-R307 PolarHBondContact O-N 3.21Å
306N91.1Very high88.1Confident31 Ų3169.8 Ų69.817%0.16635%0.352CS..  trans-68.7126.3-177.5-165.865.3000110.8K275 F300 C301 C304 W308K275-N306 HydrophobicContact CD-CB 4.1Å; K275-N306 WeakPolarHBondContact CD-OD1 3.4Å; K275-N306 WeakPolarHBondContact CE-OD1 3.09Å; K275-N306 PolarHBondContact NZ-OD1 2.8Å; F300-N306 WeakPolarHBondContact CA-O 3.47Å; C301-N306 HydrophobicContact CB-CB 4.38Å; C301-N306 PolarHBondContact N-O 3.44Å; C304-N306 PolarHBondContact O-N 3.21Å; C304-N306 VanDerWaalsContact O-N 3.08Å; N306-W308 HydrophobicContact CB-CE3 4.49Å; N306-W308 HydrophobicContact CB-CZ3 4.33Å; N306-W308 VanDerWaalsContact ND2-CE3 3.27Å; N306-W308 VanDerWaalsContact O-CZ3 3.3Å; N306-W308 WeakPolarHBondContact O-CZ3 3.45Å
307R90.5Very high88Confident169 Ų16973.2 Ų73.264%0.63837%0.368SS*.EExtended strand (participates in β ladder)trans-115.1135.5177-168.7177.8175.6-175.1-2.7110.7V299 F300 G305V299-R307 CarbonylContact O-C 3.53Å; V299-R307 VanDerWaalsContact O-CA 3.32Å; V299-R307 WeakPolarHBondContact O-CA 3.4Å; F300-R307 HydrophobicContact CD2-CB 4.23Å; G305-R307 PolarHBondContact O-N 3.21Å
308W91.5Very high87.8Confident62 Ų6277.4 Ų77.424%0.23539%0.388CS..EExtended strand (participates in β ladder)trans-145.6171.7174.766.1102.9000111.3F271 C273 V299 C301 N306F271-W308 HydrophobicContact CB-CZ2 4.11Å; C273-W308 HydrophobicContact CB-CH2 3.99Å; C273-W308 HydrophobicContact CB-CZ3 4.4Å; V299-W308 HydrophobicContact CB-CD2 4.04Å; V299-W308 HydrophobicContact CB-CE3 4.46Å; V299-W308 HydrophobicContact CB-CH2 4.41Å; V299-W308 HydrophobicContact CB-CZ2 4.01Å; V299-W308 HydrophobicContact CG1-CD2 4.35Å; V299-W308 HydrophobicContact CG1-CH2 3.67Å; V299-W308 HydrophobicContact CG1-CZ2 3.48Å; V299-W308 VanDerWaalsContact CG1-CZ2 3.48Å; V299-W308 HydrophobicContact CG1-CZ3 4.18Å; V299-W308 PolarHBondContact N-O 2.68Å; V299-W308 PolarHBondContact O-N 2.96Å; C301-W308 HydrophobicContact CB-CH2 4.32Å; C301-W308 HydrophobicContact CB-CZ3 3.96Å; N306-W308 HydrophobicContact CB-CE3 4.49Å; N306-W308 HydrophobicContact CB-CZ3 4.33Å; N306-W308 VanDerWaalsContact ND2-CE3 3.27Å; N306-W308 VanDerWaalsContact O-CZ3 3.3Å; N306-W308 WeakPolarHBondContact O-CZ3 3.45Å
309K90.6Very high87.6Confident146 Ų14679.4 Ų79.464%0.63540%0.401SS*.EExtended strand (participates in β ladder)trans-107.1142.1172.360.7177.6-178172.80109.6T296 T297T296-K309 HydrophobicContact CG2-CB 4.27Å; T297-K309 CarbonylContact O-C 3.59Å; T297-K309 WeakPolarHBondContact O-CA 2.93Å
310F81.4Confident87.3Confident115 Ų11585.9 Ų85.950%0.50443%0.434SS..EExtended strand (participates in β ladder)trans-111.6127.2167.2-164.8-92.4000106.8F271 T297 V299F271-F310 HydrophobicContact CD1-CD2 4.37Å; F271-F310 HydrophobicContact CE1-CB 4.13Å; F271-F310 HydrophobicContact CE1-CD1 4.17Å; F271-F310 AromaticContact CE1-CD2 3.83Å; F271-F310 HydrophobicContact CE1-CD2 3.83Å; F271-F310 HydrophobicContact CE1-CE2 4.25Å; F271-F310 AromaticContact CE1-CG 3.78Å; F271-F310 HydrophobicContact CE1-CG 3.78Å; F271-F310 HydrophobicContact CZ-CG 4.42Å; T297-F310 PolarHBondContact N-O 3.09Å; T297-F310 PolarHBondContact O-N 3.07Å; V299-F310 HydrophobicContact CG2-CB 4.43Å
311C64.9Low86.9Confident158 Ų15886.6 Ų86.6100%1.06844%0.442SS*.  trans-121.80-174.7-171.50000108.6

Retrieved 311 of 311 residues in 235.1 ms (Link to these results)

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