A0A096NHA2_PAPAN Loading...

Ankyrin repeat and sterile alpha motif domain containing 4B

AlphaFold DB , UniProt , Accession A0A096NHA2, Species PAPAN (Papio anubis, Olive baboon), Gene ANKS4B, Length 417 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
1M48.3Very low81.2Confident186 Ų18660.6 Ų60.692%0.91631%0.308SS*.  0107.30-103.6-160.7-176.300105T3 D29 E30M1-T3 PolarHBondContact O-N 3.22Å; M1-D29 PolarHBondContact N-OD1 3.46Å; M1-E30 PolarHBondContact N-OE1 3.42Å
2S61.7Low81.3Confident75 Ų7559.3 Ų59.352%0.52431%0.308SS..  trans-63.4125.1179.8-140.60000110.1H6 D29S2-H6 WeakPolarHBondContact OG-CB 3.31Å; S2-D29 WeakPolarHBondContact CA-OD2 3.4Å; S2-D29 WeakPolarHBondContact CB-OD2 3.02Å; S2-D29 PolarHBondContact N-OD1 2.85Å; S2-D29 VanDerWaalsContact N-OD1 3.1Å; S2-D29 PolarHBondContact N-OD2 2.78Å; S2-D29 PolarHBondContact OG-OD2 2.76Å
3T79.1Confident81.8Confident38 Ų3866 Ų6623%0.23333%0.329CS..  trans-78.9158.5-179.378.60000109.9M1 Y5 H6 L27M1-T3 PolarHBondContact O-N 3.22Å; T3-Y5 PolarHBondContact O-N 3.14Å; T3-Y5 PolarHBondContact OG1-N 2.78Å; T3-H6 WeakPolarHBondContact CB-ND1 3.48Å; T3-H6 PolarHBondContact N-ND1 3Å; T3-H6 WeakPolarHBondContact O-CB 3.42Å; T3-H6 PolarHBondContact O-N 2.94Å; T3-H6 PolarHBondContact OG1-CE1 3.41Å; T3-H6 PolarHBondContact OG1-ND1 2.77Å; T3-L27 HydrophobicContact CG2-CD1 4.22Å
4R87.2Confident82.4Confident124 Ų12464.1 Ų64.147%0.46832%0.32SS..Hα-helixtrans-50.8-27.5175.470.3177.6-158.9162.711.9113.6A8 L16 E19R4-A8 WeakPolarHBondContact O-CB 3.36Å; R4-A8 PolarHBondContact O-N 2.98Å; R4-A8 VanDerWaalsContact O-N 3.14Å; R4-L16 HydrophobicContact CG-CD2 4.05Å; R4-E19 IonicContact CZ-OE2 3.38Å; R4-E19 IonicContact NH1-OE2 2.74Å; R4-E19 IonicContact NH2-OE2 3.52Å; R4-E19 PolarHBondContact NH2-OE2 2.96Å
5Y88.8Confident82.7Confident18 Ų1868.7 Ų68.77%0.07134%0.34CS..Hα-helixtrans-81.6-25.4-178.8-56.8-73.6000113.2T3 A8 A9 L16 A20 D24T3-Y5 PolarHBondContact O-N 3.14Å; T3-Y5 PolarHBondContact OG1-N 2.78Å; Y5-A8 PolarHBondContact O-N 3.42Å; Y5-A9 WeakPolarHBondContact O-CB 3.21Å; Y5-A9 PolarHBondContact O-N 3.43Å; Y5-L16 HydrophobicContact CD1-CD2 3.28Å; Y5-L16 HydrophobicContact CE1-CD2 3.48Å; Y5-L16 VanDerWaalsContact CE1-CD2 3.48Å; Y5-L16 HydrophobicContact CG-CD2 4.2Å; Y5-A20 HydrophobicContact CD1-CB 3.56Å; Y5-A20 HydrophobicContact CE1-CB 3.38Å; Y5-A20 HydrophobicContact CG-CB 4.35Å; Y5-D24 HydrophobicContact CD2-CB 3.56Å; Y5-D24 HydrophobicContact CE2-CB 3.39Å; Y5-D24 VanDerWaalsContact CE2-CG 3.48Å; Y5-D24 WeakPolarHBondContact CE2-OD2 3.49Å; Y5-D24 HydrophobicContact CG-CB 4.36Å; Y5-D24 PolarHBondContact OH-OD2 3.31Å
6H89.4Confident83Confident1 Ų167.9 Ų67.91%0.00534%0.337CS..Hα-helixtrans-62.6-49.2172.1-70.182.7000110S2 T3 A9 S10 L27 M33 L38S2-H6 WeakPolarHBondContact OG-CB 3.31Å; T3-H6 WeakPolarHBondContact CB-ND1 3.48Å; T3-H6 PolarHBondContact N-ND1 3Å; T3-H6 WeakPolarHBondContact O-CB 3.42Å; T3-H6 PolarHBondContact O-N 2.94Å; T3-H6 PolarHBondContact OG1-CE1 3.41Å; T3-H6 PolarHBondContact OG1-ND1 2.77Å; H6-A9 PolarHBondContact O-N 3.14Å; H6-S10 PolarHBondContact O-N 3.02Å; H6-S10 VanDerWaalsContact O-N 3.11Å; H6-L27 PolarHBondContact CE1-O 3.39Å; H6-L27 PolarHBondContact NE2-O 2.92Å; H6-M33 PolarHBondContact CD2-O 2.86Å; H6-M33 PolarHBondContact NE2-O 2.67Å; H6-L38 HydrophobicContact CB-CD1 3.53Å
7Q88Confident83.2Confident123 Ų12363.9 Ų63.958%0.57532%0.317SS*.Hα-helixtrans-69-36177.1-172.6162.77.500112.7A9 S10 D11Q7-A9 PolarHBondContact O-N 3.34Å; Q7-S10 WeakPolarHBondContact CA-OG 3.22Å; Q7-S10 PolarHBondContact O-N 2.81Å; Q7-S10 PolarHBondContact O-OG 2.83Å; Q7-D11 VanDerWaalsContact CG-OD2 3.28Å; Q7-D11 WeakPolarHBondContact CG-OD2 3.34Å; Q7-D11 PolarHBondContact NE2-OD2 3.29Å; Q7-D11 WeakPolarHBondContact O-CB 3.3Å; Q7-D11 PolarHBondContact O-N 2.85Å
8A89.7Confident83.5Confident3 Ų365.2 Ų65.23%0.02532%0.321CS..Hα-helixtrans-63.5-32.1173.700000112.8R4 Y5 S12 Y13 L16 L17R4-A8 WeakPolarHBondContact O-CB 3.36Å; R4-A8 PolarHBondContact O-N 2.98Å; R4-A8 VanDerWaalsContact O-N 3.14Å; Y5-A8 PolarHBondContact O-N 3.42Å; A8-S12 PolarHBondContact O-N 3.41Å; A8-Y13 PolarHBondContact O-N 3.01Å; A8-L16 HydrophobicContact CB-CB 4.09Å; A8-L16 HydrophobicContact CB-CD2 3.78Å; A8-L16 HydrophobicContact CB-CG 4.36Å; A8-L17 HydrophobicContact CB-CD2 3.97Å; A8-L17 HydrophobicContact CB-CG 4.09Å
9A88.7Confident83.7Confident0 Ų068.3 Ų68.30%033%0.334CS..Hα-helixtrans-74.5-32.9175.600000113.2Y5 H6 Q7 L17 P35 L38 A39 N44 I51Y5-A9 WeakPolarHBondContact O-CB 3.21Å; Y5-A9 PolarHBondContact O-N 3.43Å; H6-A9 PolarHBondContact O-N 3.14Å; Q7-A9 PolarHBondContact O-N 3.34Å; A9-L17 HydrophobicContact CB-CD2 4.37Å; A9-P35 HydrophobicContact CB-CB 3.98Å; A9-P35 VanDerWaalsContact CB-O 3.27Å; A9-P35 WeakPolarHBondContact CB-O 3.41Å; A9-L38 HydrophobicContact CB-CB 4.41Å; A9-A39 HydrophobicContact CB-CB 4.29Å; A9-N44 PolarHBondContact O-ND2 2.91Å; A9-I51 HydrophobicContact CB-CD1 3.88Å
10S87Confident83.8Confident24 Ų2465.1 Ų65.117%0.16832%0.319CS..Hα-helixtrans-73.3-41.9174.162.70000112.6H6 Q7 H42 N44H6-S10 PolarHBondContact O-N 3.02Å; H6-S10 VanDerWaalsContact O-N 3.11Å; Q7-S10 WeakPolarHBondContact CA-OG 3.22Å; Q7-S10 PolarHBondContact O-N 2.81Å; Q7-S10 PolarHBondContact O-OG 2.83Å; S10-H42 VanDerWaalsContact CB-CD2 3.49Å; S10-H42 WeakPolarHBondContact CB-CD2 3.26Å; S10-N44 PolarHBondContact O-ND2 3.46Å
11D85.3Confident83.9Confident75 Ų7565.5 Ų65.540%0.40133%0.326SS..THydrogen-bonded Turntrans-94.76-170.8-58.9-3.5000112.3Q7 Y13Q7-D11 VanDerWaalsContact CG-OD2 3.28Å; Q7-D11 WeakPolarHBondContact CG-OD2 3.34Å; Q7-D11 PolarHBondContact NE2-OD2 3.29Å; Q7-D11 WeakPolarHBondContact O-CB 3.3Å; Q7-D11 PolarHBondContact O-N 2.85Å; D11-Y13 VanDerWaalsContact C-N 3.3Å; D11-Y13 HydrophobicContact CB-CD2 3.46Å; D11-Y13 VanDerWaalsContact CB-CD2 3.46Å; D11-Y13 HydrophobicContact CB-CE2 3.32Å; D11-Y13 PolarHBondContact O-N 2.94Å
12S82.1Confident85.8Confident45 Ų4563.1 Ų63.132%0.31531%0.31SS..THydrogen-bonded Turntrans55.736-177.6-73.20000114.7A8 L14 N44A8-S12 PolarHBondContact O-N 3.41Å; S12-L14 VanDerWaalsContact C-N 3.27Å; S12-L14 WeakPolarHBondContact O-CG 3.44Å; S12-L14 PolarHBondContact O-N 3.39Å; S12-N44 VanDerWaalsContact OG-CB 3.32Å; S12-N44 WeakPolarHBondContact OG-CB 3.45Å; S12-N44 PolarHBondContact OG-ND2 3.09Å; S12-N44 PolarHBondContact OG-OD1 2.81Å
13Y87.9Confident86.9Confident146 Ų14669.6 Ų69.657%0.57332%0.323SS*.  trans-76.978.4172.7-70-67.8000111.3A8 D11 E15 L16 L17A8-Y13 PolarHBondContact O-N 3.01Å; D11-Y13 VanDerWaalsContact C-N 3.3Å; D11-Y13 HydrophobicContact CB-CD2 3.46Å; D11-Y13 VanDerWaalsContact CB-CD2 3.46Å; D11-Y13 HydrophobicContact CB-CE2 3.32Å; D11-Y13 PolarHBondContact O-N 2.94Å; Y13-E15 VanDerWaalsContact C-N 3.33Å; Y13-E15 PolarHBondContact O-N 3.43Å; Y13-L16 PolarHBondContact O-N 3.07Å; Y13-L17 PolarHBondContact O-N 3.3Å
14L89.8Confident87.3Confident39 Ų3969.7 Ų69.720%0.20432%0.322CS..Hα-helixtrans-57.7-39.3-172.5-51.4178.6000113.7S12 L16 L17 K18 E46 A47 I50S12-L14 VanDerWaalsContact C-N 3.27Å; S12-L14 WeakPolarHBondContact O-CG 3.44Å; S12-L14 PolarHBondContact O-N 3.39Å; L14-L16 VanDerWaalsContact C-N 3.28Å; L14-L16 PolarHBondContact O-N 2.93Å; L14-L17 PolarHBondContact O-N 3.27Å; L14-K18 WeakPolarHBondContact O-CG 3.36Å; L14-K18 PolarHBondContact O-N 3.01Å; L14-E46 HydrophobicContact CD1-CB 4.28Å; L14-E46 WeakPolarHBondContact CD1-OE2 3.35Å; L14-E46 HydrophobicContact CD2-CB 3.86Å; L14-A47 HydrophobicContact CD2-CB 4.3Å; L14-I50 HydrophobicContact CB-CD1 3.8Å; L14-I50 HydrophobicContact CD2-CD1 3.94Å; L14-I50 HydrophobicContact CG-CD1 4.3Å
15E87.2Confident87.3Confident134 Ų13463.8 Ų63.863%0.62630%0.3SS*.Hα-helixtrans-62.4-36.5-178.7-66.9-53.4129.700112.3Y13 K18 E19Y13-E15 VanDerWaalsContact C-N 3.33Å; Y13-E15 PolarHBondContact O-N 3.43Å; E15-K18 PolarHBondContact O-N 3.47Å; E15-K18 IonicContact OE1-NZ 2.68Å; E15-K18 PolarHBondContact OE1-NZ 3.48Å; E15-K18 IonicContact OE2-NZ 3.37Å; E15-E19 PolarHBondContact O-N 3.26Å
16L87.8Confident87.3Confident55 Ų5564.3 Ų64.329%0.28830%0.304SS..Hα-helixtrans-72.3-37.5177.4-161152.9000110.8R4 Y5 A8 Y13 L14 K18 E19 A20R4-L16 HydrophobicContact CG-CD2 4.05Å; Y5-L16 HydrophobicContact CD1-CD2 3.28Å; Y5-L16 HydrophobicContact CE1-CD2 3.48Å; Y5-L16 VanDerWaalsContact CE1-CD2 3.48Å; Y5-L16 HydrophobicContact CG-CD2 4.2Å; A8-L16 HydrophobicContact CB-CB 4.09Å; A8-L16 HydrophobicContact CB-CD2 3.78Å; A8-L16 HydrophobicContact CB-CG 4.36Å; Y13-L16 PolarHBondContact O-N 3.07Å; L14-L16 VanDerWaalsContact C-N 3.28Å; L14-L16 PolarHBondContact O-N 2.93Å; L16-K18 VanDerWaalsContact C-N 3.3Å; L16-K18 PolarHBondContact O-N 3.18Å; L16-E19 PolarHBondContact O-N 3.34Å; L16-E19 VanDerWaalsContact O-N 3.08Å; L16-A20 PolarHBondContact O-N 3.24Å
17L86.9Confident87.3Confident0 Ų068.2 Ų68.20%032%0.324CS..Hα-helixtrans-65.9-32.5175-64.5174.3000112.2A8 A9 Y13 L14 E19 A20 A47 I50 I51A8-L17 HydrophobicContact CB-CD2 3.97Å; A8-L17 HydrophobicContact CB-CG 4.09Å; A9-L17 HydrophobicContact CB-CD2 4.37Å; Y13-L17 PolarHBondContact O-N 3.3Å; L14-L17 PolarHBondContact O-N 3.27Å; L17-E19 PolarHBondContact O-N 3.46Å; L17-A20 VanDerWaalsContact O-CB 3.24Å; L17-A20 WeakPolarHBondContact O-CB 3.17Å; L17-A20 PolarHBondContact O-N 3.43Å; L17-A20 VanDerWaalsContact O-N 3.13Å; L17-A47 HydrophobicContact CD1-CB 3.59Å; L17-I50 HydrophobicContact CB-CG2 3.92Å; L17-I51 HydrophobicContact CD1-CD1 4.09Å; L17-I51 HydrophobicContact CD1-CG1 4.23Å; L17-I51 HydrophobicContact CD2-CD1 4.07Å; L17-I51 HydrophobicContact CD2-CG1 4.06Å
18K88Confident87.4Confident87 Ų8765.2 Ų65.238%0.37832%0.317SS..Hα-helixtrans-67.3-19.1171.6-69.1172-170.2169.70113.1L14 E15 L16 I50 R54L14-K18 WeakPolarHBondContact O-CG 3.36Å; L14-K18 PolarHBondContact O-N 3.01Å; E15-K18 PolarHBondContact O-N 3.47Å; E15-K18 IonicContact OE1-NZ 2.68Å; E15-K18 PolarHBondContact OE1-NZ 3.48Å; E15-K18 IonicContact OE2-NZ 3.37Å; L16-K18 VanDerWaalsContact C-N 3.3Å; L16-K18 PolarHBondContact O-N 3.18Å; K18-I50 HydrophobicContact CG-CD1 4.24Å; K18-I50 HydrophobicContact CG-CG2 4.15Å; K18-R54 PolarHBondContact O-NH1 3.4Å; K18-R54 PolarHBondContact O-NH2 3.44Å
19E87.7Confident87.4Confident125 Ų12566.7 Ų66.758%0.58432%0.324SS*.Hα-helixtrans-87.7-13.3173.6-154.8-170.6-17100112.2R4 E15 L16 L17R4-E19 IonicContact CZ-OE2 3.38Å; R4-E19 IonicContact NH1-OE2 2.74Å; R4-E19 IonicContact NH2-OE2 3.52Å; R4-E19 PolarHBondContact NH2-OE2 2.96Å; E15-E19 PolarHBondContact O-N 3.26Å; L16-E19 PolarHBondContact O-N 3.34Å; L16-E19 VanDerWaalsContact O-N 3.08Å; L17-E19 PolarHBondContact O-N 3.46Å
20A86Confident87.2Confident4 Ų473.9 Ų73.93%0.03336%0.358CS..  trans-67142.3-170.300000113.4Y5 L16 L17 L25Y5-A20 HydrophobicContact CD1-CB 3.56Å; Y5-A20 HydrophobicContact CE1-CB 3.38Å; Y5-A20 HydrophobicContact CG-CB 4.35Å; L16-A20 PolarHBondContact O-N 3.24Å; L17-A20 VanDerWaalsContact O-CB 3.24Å; L17-A20 WeakPolarHBondContact O-CB 3.17Å; L17-A20 PolarHBondContact O-N 3.43Å; L17-A20 VanDerWaalsContact O-N 3.13Å; A20-L25 HydrophobicContact CB-CD1 4.22Å; A20-L25 HydrophobicContact CB-CD2 3.66Å; A20-L25 HydrophobicContact CB-CG 3.85Å
21T86.5Confident87.1Confident74 Ų7476.9 Ų76.945%0.45437%0.372SS..  trans-89.1157.3170.975.50000111.1R23 D24 L25T21-R23 PolarHBondContact O-N 3.22Å; T21-R23 VanDerWaalsContact O-N 3.13Å; T21-D24 WeakPolarHBondContact CB-OD2 3.33Å; T21-D24 PolarHBondContact N-OD2 2.87Å; T21-D24 PolarHBondContact O-N 3.38Å; T21-D24 VanDerWaalsContact O-N 3.07Å; T21-D24 PolarHBondContact OG1-OD2 3.1Å; T21-L25 PolarHBondContact O-N 3.27Å
22K87Confident87.3Confident136 Ų13673.8 Ų73.859%0.59136%0.358SS*.THydrogen-bonded Turntrans-54.7-33.5176.8179170.4-177.3174.10113.4N26 G55K22-N26 PolarHBondContact O-ND2 3.44Å; K22-G55 WeakPolarHBondContact CE-O 3.2Å
23R85.4Confident87.7Confident211 Ų21172.7 Ų72.780%0.79635%0.348SS*.THydrogen-bonded Turntrans-67.4-47.6178.4-69.6-168.6-174128.81.6110.2T21 L25 N26 L27T21-R23 PolarHBondContact O-N 3.22Å; T21-R23 VanDerWaalsContact O-N 3.13Å; R23-L25 VanDerWaalsContact C-N 3.28Å; R23-L25 PolarHBondContact O-N 2.89Å; R23-N26 PolarHBondContact O-N 3.38Å; R23-L27 WeakPolarHBondContact O-CG 2.92Å; R23-L27 PolarHBondContact O-N 2.97Å
24D86.9Confident87.9Confident39 Ų3965.7 Ų65.721%0.20932%0.321CS..G310 helixtrans-59.7-40.5-177.2-55.9-34.6000112.1Y5 T21 N26 L27Y5-D24 HydrophobicContact CD2-CB 3.56Å; Y5-D24 HydrophobicContact CE2-CB 3.39Å; Y5-D24 VanDerWaalsContact CE2-CG 3.48Å; Y5-D24 WeakPolarHBondContact CE2-OD2 3.49Å; Y5-D24 HydrophobicContact CG-CB 4.36Å; Y5-D24 PolarHBondContact OH-OD2 3.31Å; T21-D24 WeakPolarHBondContact CB-OD2 3.33Å; T21-D24 PolarHBondContact N-OD2 2.87Å; T21-D24 PolarHBondContact O-N 3.38Å; T21-D24 VanDerWaalsContact O-N 3.07Å; T21-D24 PolarHBondContact OG1-OD2 3.1Å; D24-N26 PolarHBondContact O-N 3.06Å; D24-L27 PolarHBondContact O-N 3.06Å
25L87.7Confident88Confident0 Ų063.9 Ų63.90%031%0.311CS..G310 helixtrans-68.8-16.2178.5-64.1177.5000114.3A20 T21 R23 P35 I51 R54A20-L25 HydrophobicContact CB-CD1 4.22Å; A20-L25 HydrophobicContact CB-CD2 3.66Å; A20-L25 HydrophobicContact CB-CG 3.85Å; T21-L25 PolarHBondContact O-N 3.27Å; R23-L25 VanDerWaalsContact C-N 3.28Å; R23-L25 PolarHBondContact O-N 2.89Å; L25-P35 HydrophobicContact CD2-CB 4.32Å; L25-P35 WeakPolarHBondContact O-CD 3.21Å; L25-I51 HydrophobicContact CB-CG2 4.41Å; L25-I51 HydrophobicContact CD1-CG2 4.25Å; L25-I51 HydrophobicContact CD2-CG1 3.98Å; L25-I51 HydrophobicContact CD2-CG2 4.14Å; L25-I51 HydrophobicContact CG-CG2 4.5Å; L25-R54 HydrophobicContact CD1-CB 3.47Å; L25-R54 VanDerWaalsContact CD1-CB 3.47Å
26N88.9Confident88.3Confident30 Ų3057.5 Ų57.516%0.1628%0.281CS..G310 helixtrans-110.88.2-179.4-69.7-56.9000112.8K22 R23 D24 G55 D57K22-N26 PolarHBondContact O-ND2 3.44Å; R23-N26 PolarHBondContact O-N 3.38Å; D24-N26 PolarHBondContact O-N 3.06Å; N26-G55 PolarHBondContact ND2-O 3.19Å; N26-D57 VanDerWaalsContact OD1-CB 3.28Å; N26-D57 WeakPolarHBondContact OD1-CB 3.5Å; N26-D57 PolarHBondContact OD1-N 2.82Å
27L89.8Confident88.6Confident82 Ų8254.9 Ų54.943%0.42927%0.268SS..  trans-76.6129.9171.5-68.6175.5000109.6T3 H6 R23 D24T3-L27 HydrophobicContact CG2-CD1 4.22Å; H6-L27 PolarHBondContact CE1-O 3.39Å; H6-L27 PolarHBondContact NE2-O 2.92Å; R23-L27 WeakPolarHBondContact O-CG 2.92Å; R23-L27 PolarHBondContact O-N 2.97Å; D24-L27 PolarHBondContact O-N 3.06Å
28S89.6Confident88.9Confident60 Ų6056.3 Ų56.342%0.4228%0.275SS..  trans-90.7140173.851.50000110.6G32 M33S28-G32 WeakPolarHBondContact CB-O 3.49Å; S28-M33 CarbonylContact C-O 3.52Å; S28-M33 WeakPolarHBondContact CA-O 3.39Å
29D88.4Confident89.2Confident34 Ų3452.1 Ų52.118%0.18226%0.257CS..  trans-77.5-173.6168.7-156.4-2.7000111.2M1 S2 D31 G32 M33M1-D29 PolarHBondContact N-OD1 3.46Å; S2-D29 WeakPolarHBondContact CA-OD2 3.4Å; S2-D29 WeakPolarHBondContact CB-OD2 3.02Å; S2-D29 PolarHBondContact N-OD1 2.85Å; S2-D29 VanDerWaalsContact N-OD1 3.1Å; S2-D29 PolarHBondContact N-OD2 2.78Å; S2-D29 PolarHBondContact OG-OD2 2.76Å; D29-D31 PolarHBondContact O-N 3.27Å; D29-G32 PolarHBondContact O-N 2.95Å; D29-M33 PolarHBondContact N-O 2.9Å
30E86Confident89.5Confident152 Ų15246.2 Ų46.271%0.7123%0.229SC*.THydrogen-bonded Turntrans-54.9-36.5178.9-56.6-59.4144.600112.6M1 G32M1-E30 PolarHBondContact N-OE1 3.42Å; E30-G32 PolarHBondContact O-N 3.33Å
31D84.8Confident89.9Confident86 Ų8651 Ų5146%0.4625%0.247SC..THydrogen-bonded Turntrans-85.610.3177.5-59.6-47.5000113.2D29 M33 I63 W64D29-D31 PolarHBondContact O-N 3.27Å; D31-M33 HydrophobicContact CB-CG 4.03Å; D31-M33 PolarHBondContact O-N 3.24Å; D31-I63 WeakPolarHBondContact O-CG1 3.34Å; D31-I63 PolarHBondContact O-N 3.34Å; D31-W64 HydrophobicContact CB-CH2 4.42Å; D31-W64 HydrophobicContact CB-CZ3 4.39Å
32G88.2Confident90.2Very high10 Ų1051.6 Ų51.610%0.10325%0.245CC..SBendtrans77.5-3.7-176.700000114.2S28 D29 E30 T34S28-G32 WeakPolarHBondContact CB-O 3.49Å; D29-G32 PolarHBondContact O-N 2.95Å; E30-G32 PolarHBondContact O-N 3.33Å; G32-T34 PolarHBondContact O-N 3.29Å
33M90.7Very high90.5Very high22 Ų2246.2 Ų46.211%0.10823%0.227CC..  trans-66.5128.7-176.4-62.1-63-78.100111.6H6 S28 D29 D31 L37 L38 D62 F71H6-M33 PolarHBondContact CD2-O 2.86Å; H6-M33 PolarHBondContact NE2-O 2.67Å; S28-M33 CarbonylContact C-O 3.52Å; S28-M33 WeakPolarHBondContact CA-O 3.39Å; D29-M33 PolarHBondContact N-O 2.9Å; D31-M33 HydrophobicContact CB-CG 4.03Å; D31-M33 PolarHBondContact O-N 3.24Å; M33-L37 HydrophobicContact CE-CB 3.81Å; M33-L37 HydrophobicContact CE-CD2 4.32Å; M33-L37 HydrophobicContact SD-CB 4.23Å; M33-L37 HydrophobicContact SD-CD2 3.72Å; M33-L38 HydrophobicContact CB-CG 4.39Å; M33-L38 HydrophobicContact CE-CD2 3.84Å; M33-L38 HydrophobicContact CE-CG 4.33Å; M33-D62 HydrophobicContact SD-CB 3.81Å; M33-F71 HydrophobicContact CE-CE2 4Å; M33-F71 HydrophobicContact CE-CZ 4.07Å; M33-F71 HydrophobicContact SD-CE2 4.08Å; M33-F71 HydrophobicContact SD-CZ 4.11Å
34T92.3Very high90.9Very high0 Ų037.7 Ų37.70%020%0.198CC..  trans-96.6162.3168.571.70000110.5G32 T36 L37 L38 R60G32-T34 PolarHBondContact O-N 3.29Å; T34-T36 PolarHBondContact O-N 3.04Å; T34-T36 PolarHBondContact OG1-N 2.87Å; T34-L37 HydrophobicContact CG2-CD1 4.21Å; T34-L37 WeakPolarHBondContact O-CB 3.48Å; T34-L37 PolarHBondContact O-N 3.36Å; T34-L37 WeakPolarHBondContact OG1-CD1 3.37Å; T34-L37 PolarHBondContact OG1-N 3.36Å; T34-L38 PolarHBondContact O-N 2.94Å; T34-L38 VanDerWaalsContact O-N 3.07Å; T34-R60 HydrophobicContact CG2-CB 4.48Å; T34-R60 HydrophobicContact CG2-CG 3.78Å
35P92.1Very high91.2Very high0 Ų038.3 Ų38.30%020%0.201CC..Hα-helixtrans-51.5-36.9170.6-29.337.3000113.2A9 L25 L37 L38 A39 I51A9-P35 HydrophobicContact CB-CB 3.98Å; A9-P35 VanDerWaalsContact CB-O 3.27Å; A9-P35 WeakPolarHBondContact CB-O 3.41Å; L25-P35 HydrophobicContact CD2-CB 4.32Å; L25-P35 WeakPolarHBondContact O-CD 3.21Å; P35-L37 PolarHBondContact O-N 2.9Å; P35-L38 PolarHBondContact O-N 3.35Å; P35-A39 PolarHBondContact O-N 2.95Å; P35-I51 HydrophobicContact CB-CD1 4.26Å
36T93.5Very high91.5Very high0 Ų044.1 Ų44.10%023%0.228CC..Hα-helixtrans-62.6-41.8175.4-40.90000112.2T34 A40 L48 I51 P68T34-T36 PolarHBondContact O-N 3.04Å; T34-T36 PolarHBondContact OG1-N 2.87Å; T36-A40 PolarHBondContact O-N 3.26Å; T36-A40 VanDerWaalsContact O-N 3.16Å; T36-L48 HydrophobicContact CG2-CD1 3.95Å; T36-I51 HydrophobicContact CG2-CG2 4.31Å; T36-I51 VanDerWaalsContact OG1-CG2 3.25Å; T36-I51 WeakPolarHBondContact OG1-CG2 3.24Å; T36-P68 HydrophobicContact CG2-CB 4.41Å; T36-P68 HydrophobicContact CG2-CG 3.93Å
37L93.8Very high91.7Very high0 Ų042.7 Ų42.70%022%0.22CC..Hα-helixtrans-64.9-42.9177-86.478.7000111.3M33 T34 P35 A40 Y41 R60 D62 P68 F71M33-L37 HydrophobicContact CE-CB 3.81Å; M33-L37 HydrophobicContact CE-CD2 4.32Å; M33-L37 HydrophobicContact SD-CB 4.23Å; M33-L37 HydrophobicContact SD-CD2 3.72Å; T34-L37 HydrophobicContact CG2-CD1 4.21Å; T34-L37 WeakPolarHBondContact O-CB 3.48Å; T34-L37 PolarHBondContact O-N 3.36Å; T34-L37 WeakPolarHBondContact OG1-CD1 3.37Å; T34-L37 PolarHBondContact OG1-N 3.36Å; P35-L37 PolarHBondContact O-N 2.9Å; L37-A40 PolarHBondContact O-N 3.02Å; L37-Y41 WeakPolarHBondContact O-CB 3.39Å; L37-Y41 PolarHBondContact O-N 3.27Å; L37-R60 WeakPolarHBondContact CD1-O 3.3Å; L37-D62 HydrophobicContact CD2-CB 3.63Å; L37-P68 HydrophobicContact CD1-CG 3.82Å; L37-P68 HydrophobicContact CG-CG 4.09Å; L37-F71 HydrophobicContact CB-CD2 4.48Å; L37-F71 HydrophobicContact CD2-CD2 4.27Å; L37-F71 HydrophobicContact CD2-CE2 3.75Å; L37-F71 HydrophobicContact CG-CD2 4.3Å; L37-F71 HydrophobicContact CG-CE2 4.27Å
38L93.1Very high91.9Very high30 Ų3038.8 Ų38.816%0.15720%0.2CC..Hα-helixtrans-66-42179.9-71.1171.7000112.1H6 A9 M33 T34 P35 A40 Y41 H42H6-L38 HydrophobicContact CB-CD1 3.53Å; A9-L38 HydrophobicContact CB-CB 4.41Å; M33-L38 HydrophobicContact CB-CG 4.39Å; M33-L38 HydrophobicContact CE-CD2 3.84Å; M33-L38 HydrophobicContact CE-CG 4.33Å; T34-L38 PolarHBondContact O-N 2.94Å; T34-L38 VanDerWaalsContact O-N 3.07Å; P35-L38 PolarHBondContact O-N 3.35Å; L38-A40 VanDerWaalsContact C-N 3.32Å; L38-A40 PolarHBondContact O-N 3.04Å; L38-Y41 PolarHBondContact O-N 3.49Å; L38-H42 PolarHBondContact O-CD2 2.72Å; L38-H42 VanDerWaalsContact O-CD2 3.23Å; L38-H42 PolarHBondContact O-N 3.37Å
39A93.9Very high92.1Very high0 Ų040.1 Ų40.10%020%0.199CC..Hα-helixtrans-58.9-44.4174.500000111.5A9 P35 G43 N44 A47 L48 I51A9-A39 HydrophobicContact CB-CB 4.29Å; P35-A39 PolarHBondContact O-N 2.95Å; A39-G43 PolarHBondContact O-N 3.13Å; A39-N44 PolarHBondContact O-N 3.22Å; A39-A47 HydrophobicContact CB-CB 4.16Å; A39-L48 HydrophobicContact CB-CB 4.38Å; A39-L48 HydrophobicContact CB-CD1 3.96Å; A39-I51 HydrophobicContact CB-CD1 4.01Å
40A94.9Very high92.3Very high0 Ų039.8 Ų39.80%020%0.198CC..Hα-helixtrans-68.5-36.8177.600000113T36 L37 L38 G43 L48 P68 A72 H77T36-A40 PolarHBondContact O-N 3.26Å; T36-A40 VanDerWaalsContact O-N 3.16Å; L37-A40 PolarHBondContact O-N 3.02Å; L38-A40 VanDerWaalsContact C-N 3.32Å; L38-A40 PolarHBondContact O-N 3.04Å; A40-G43 PolarHBondContact O-N 3.35Å; A40-L48 HydrophobicContact CB-CD1 4.09Å; A40-P68 HydrophobicContact CB-CB 3.81Å; A40-P68 WeakPolarHBondContact CB-O 3.31Å; A40-A72 HydrophobicContact CB-CB 4.39Å; A40-H77 PolarHBondContact O-CD2 3.38Å
41Y94.4Very high92.6Very high105 Ų10532.6 Ų32.641%0.41216%0.164SC..Hα-helixtrans-61.9-45.2175.5179.9-98.8000112L37 L38 G43 F71 N75 H77L37-Y41 WeakPolarHBondContact O-CB 3.39Å; L37-Y41 PolarHBondContact O-N 3.27Å; L38-Y41 PolarHBondContact O-N 3.49Å; Y41-G43 VanDerWaalsContact C-N 3.34Å; Y41-F71 HydrophobicContact CD2-CB 4.49Å; Y41-F71 AromaticContact CD2-CD1 3.56Å; Y41-F71 HydrophobicContact CD2-CD1 3.56Å; Y41-F71 AromaticContact CD2-CE1 3.98Å; Y41-F71 HydrophobicContact CD2-CE1 3.98Å; Y41-F71 HydrophobicContact CD2-CG 4.19Å; Y41-F71 HydrophobicContact CE2-CD1 4.27Å; Y41-F71 HydrophobicContact CE2-CE1 4.43Å; Y41-N75 WeakPolarHBondContact CD2-ND2 3.44Å; Y41-N75 PolarHBondContact O-ND2 3.05Å; Y41-H77 PolarHBondContact O-NE2 2.73Å
42H93.2Very high93Very high87 Ų8728.7 Ų28.740%0.40314%0.143SC..Hα-helixtrans-81.3-10.6179.4-71.6-69.8000114.1S10 L38S10-H42 VanDerWaalsContact CB-CD2 3.49Å; S10-H42 WeakPolarHBondContact CB-CD2 3.26Å; L38-H42 PolarHBondContact O-CD2 2.72Å; L38-H42 VanDerWaalsContact O-CD2 3.23Å; L38-H42 PolarHBondContact O-N 3.37Å
43G92.9Very high93.1Very high22 Ų2232.4 Ų32.423%0.22717%0.167CC..THydrogen-bonded Turntrans79.520.7-179.600000114A39 A40 Y41 L45 H77 C80A39-G43 PolarHBondContact O-N 3.13Å; A40-G43 PolarHBondContact O-N 3.35Å; Y41-G43 VanDerWaalsContact C-N 3.34Å; G43-L45 PolarHBondContact O-N 3.39Å; G43-H77 WeakPolarHBondContact CA-CD2 3.35Å; G43-H77 VanDerWaalsContact CA-CG 3.46Å; G43-H77 WeakPolarHBondContact CA-NE2 3.38Å; G43-H77 PolarHBondContact N-CD2 3.42Å; G43-H77 PolarHBondContact N-NE2 2.82Å; G43-C80 VanDerWaalsContact C-SG 3.54Å
44N94.1Very high93.1Very high32 Ų3236.5 Ų36.517%0.17118%0.182CC..  trans-8184.6-177-66-31.1000110.8A9 S10 S12 A39 E46 A47 L48A9-N44 PolarHBondContact O-ND2 2.91Å; S10-N44 PolarHBondContact O-ND2 3.46Å; S12-N44 VanDerWaalsContact OG-CB 3.32Å; S12-N44 WeakPolarHBondContact OG-CB 3.45Å; S12-N44 PolarHBondContact OG-ND2 3.09Å; S12-N44 PolarHBondContact OG-OD1 2.81Å; A39-N44 PolarHBondContact O-N 3.22Å; N44-E46 PolarHBondContact O-N 3.07Å; N44-A47 HydrophobicContact CB-CB 3.81Å; N44-A47 PolarHBondContact O-N 2.99Å; N44-L48 WeakPolarHBondContact O-CB 3.45Å; N44-L48 PolarHBondContact O-N 3.35Å
45L94Very high92.9Very high53 Ų5337.7 Ų37.728%0.27719%0.194SC..Hα-helixtrans-56.7-49.4-178.1178.164.9000112.7G43 A47 L48 E49 H79 F83G43-L45 PolarHBondContact O-N 3.39Å; L45-A47 VanDerWaalsContact C-N 3.3Å; L45-A47 PolarHBondContact O-N 3.34Å; L45-L48 WeakPolarHBondContact O-CA 3.28Å; L45-L48 VanDerWaalsContact O-CB 3.28Å; L45-L48 WeakPolarHBondContact O-CB 3.41Å; L45-L48 PolarHBondContact O-N 2.99Å; L45-E49 HydrophobicContact CD1-CG 4.35Å; L45-E49 HydrophobicContact CG-CG 4.48Å; L45-E49 WeakPolarHBondContact O-CG 3.45Å; L45-E49 PolarHBondContact O-N 2.95Å; L45-H79 HydrophobicContact CD2-CB 4.2Å; L45-F83 HydrophobicContact CD1-CB 3.55Å; L45-F83 HydrophobicContact CD1-CD2 4.45Å; L45-F83 HydrophobicContact CD1-CG 3.93Å
46E93.6Very high92.8Very high121 Ų12137.8 Ų37.857%0.56520%0.195SC*.Hα-helixtrans-62.4-38.7-177.5-62.5-17817300112.1L14 N44 I50L14-E46 HydrophobicContact CD1-CB 4.28Å; L14-E46 WeakPolarHBondContact CD1-OE2 3.35Å; L14-E46 HydrophobicContact CD2-CB 3.86Å; N44-E46 PolarHBondContact O-N 3.07Å; E46-I50 VanDerWaalsContact O-CG1 3.31Å; E46-I50 WeakPolarHBondContact O-CG1 3.28Å; E46-I50 PolarHBondContact O-N 2.94Å; E46-I50 VanDerWaalsContact O-N 3.13Å
47A92.9Very high92.7Very high0 Ų040.9 Ų40.90%021%0.212CC..Hα-helixtrans-64.3-43.7174.300000110.7L14 L17 A39 N44 L45 E49 I50 I51L14-A47 HydrophobicContact CD2-CB 4.3Å; L17-A47 HydrophobicContact CD1-CB 3.59Å; A39-A47 HydrophobicContact CB-CB 4.16Å; N44-A47 HydrophobicContact CB-CB 3.81Å; N44-A47 PolarHBondContact O-N 2.99Å; L45-A47 VanDerWaalsContact C-N 3.3Å; L45-A47 PolarHBondContact O-N 3.34Å; A47-E49 PolarHBondContact O-N 3.37Å; A47-I50 PolarHBondContact O-N 3.35Å; A47-I51 WeakPolarHBondContact O-CB 3.3Å; A47-I51 WeakPolarHBondContact O-CD1 3.45Å; A47-I51 WeakPolarHBondContact O-CG1 3.17Å; A47-I51 PolarHBondContact O-N 3.35Å
48L93.6Very high92.6Very high0 Ų041.6 Ų41.60%022%0.216CC..Hα-helixtrans-61-44.3178.5-160.572.6000111.7T36 A39 A40 N44 L45 I51 C52 C80 F83 L84T36-L48 HydrophobicContact CG2-CD1 3.95Å; A39-L48 HydrophobicContact CB-CB 4.38Å; A39-L48 HydrophobicContact CB-CD1 3.96Å; A40-L48 HydrophobicContact CB-CD1 4.09Å; N44-L48 WeakPolarHBondContact O-CB 3.45Å; N44-L48 PolarHBondContact O-N 3.35Å; L45-L48 WeakPolarHBondContact O-CA 3.28Å; L45-L48 VanDerWaalsContact O-CB 3.28Å; L45-L48 WeakPolarHBondContact O-CB 3.41Å; L45-L48 PolarHBondContact O-N 2.99Å; L48-I51 PolarHBondContact O-N 3.42Å; L48-C52 VanDerWaalsContact O-CB 3.31Å; L48-C52 WeakPolarHBondContact O-CB 3.34Å; L48-C52 PolarHBondContact O-N 3.4Å; L48-C52 PolarHBondContact O-SG 3.47Å; L48-C80 HydrophobicContact CD2-CB 4.08Å; L48-F83 HydrophobicContact CB-CE1 4.5Å; L48-F83 HydrophobicContact CD2-CD1 3.62Å; L48-F83 HydrophobicContact CD2-CE1 4.17Å; L48-F83 HydrophobicContact CG-CD1 3.98Å; L48-F83 HydrophobicContact CG-CE1 4.01Å; L48-L84 HydrophobicContact CD1-CD2 4.41Å; L48-L84 HydrophobicContact CD2-CD1 4.17Å; L48-L84 HydrophobicContact CD2-CD2 3.96Å; L48-L84 HydrophobicContact CD2-CG 3.82Å; L48-L84 HydrophobicContact CG-CD2 4.33Å
49E93.6Very high92.5Very high88 Ų8843.7 Ų43.741%0.41123%0.228SC..Hα-helixtrans-58.4-49.5175.5-74-178.3177.600112L45 A47 S53 F83L45-E49 HydrophobicContact CD1-CG 4.35Å; L45-E49 HydrophobicContact CG-CG 4.48Å; L45-E49 WeakPolarHBondContact O-CG 3.45Å; L45-E49 PolarHBondContact O-N 2.95Å; A47-E49 PolarHBondContact O-N 3.37Å; E49-S53 VanDerWaalsContact O-CB 3.3Å; E49-S53 WeakPolarHBondContact O-CB 3.49Å; E49-S53 PolarHBondContact O-N 2.97Å; E49-S53 PolarHBondContact O-OG 3.28Å; E49-F83 HydrophobicContact CB-CE2 4.29Å; E49-F83 HydrophobicContact CB-CZ 4.29Å; E49-F83 HydrophobicContact CG-CD2 3.75Å; E49-F83 HydrophobicContact CG-CE1 4.47Å; E49-F83 HydrophobicContact CG-CE2 3.5Å; E49-F83 HydrophobicContact CG-CG 4.37Å; E49-F83 HydrophobicContact CG-CZ 3.89Å
50I92.9Very high92.4Very high28 Ų2848.3 Ų48.314%0.14425%0.245CC..Hα-helixtrans-62.3-47.4178.5-66.4169.4000110.1L14 L17 K18 E46 A47 C52 S53 R54L14-I50 HydrophobicContact CB-CD1 3.8Å; L14-I50 HydrophobicContact CD2-CD1 3.94Å; L14-I50 HydrophobicContact CG-CD1 4.3Å; L17-I50 HydrophobicContact CB-CG2 3.92Å; K18-I50 HydrophobicContact CG-CD1 4.24Å; K18-I50 HydrophobicContact CG-CG2 4.15Å; E46-I50 VanDerWaalsContact O-CG1 3.31Å; E46-I50 WeakPolarHBondContact O-CG1 3.28Å; E46-I50 PolarHBondContact O-N 2.94Å; E46-I50 VanDerWaalsContact O-N 3.13Å; A47-I50 PolarHBondContact O-N 3.35Å; I50-C52 PolarHBondContact O-N 3.45Å; I50-S53 PolarHBondContact O-N 3.04Å; I50-S53 PolarHBondContact O-OG 3Å; I50-R54 VanDerWaalsContact O-CG 3.31Å; I50-R54 WeakPolarHBondContact O-CG 3.3Å; I50-R54 PolarHBondContact O-N 3.07Å
51I92.2Very high92.2Very high1 Ų149.4 Ų49.41%0.00525%0.253CS..Hα-helixtrans-61.8-47.5-177.7-69.3165.4000110.9A9 L17 L25 P35 T36 A39 A47 L48 R54 G55 G56A9-I51 HydrophobicContact CB-CD1 3.88Å; L17-I51 HydrophobicContact CD1-CD1 4.09Å; L17-I51 HydrophobicContact CD1-CG1 4.23Å; L17-I51 HydrophobicContact CD2-CD1 4.07Å; L17-I51 HydrophobicContact CD2-CG1 4.06Å; L25-I51 HydrophobicContact CB-CG2 4.41Å; L25-I51 HydrophobicContact CD1-CG2 4.25Å; L25-I51 HydrophobicContact CD2-CG1 3.98Å; L25-I51 HydrophobicContact CD2-CG2 4.14Å; L25-I51 HydrophobicContact CG-CG2 4.5Å; P35-I51 HydrophobicContact CB-CD1 4.26Å; T36-I51 HydrophobicContact CG2-CG2 4.31Å; T36-I51 VanDerWaalsContact OG1-CG2 3.25Å; T36-I51 WeakPolarHBondContact OG1-CG2 3.24Å; A39-I51 HydrophobicContact CB-CD1 4.01Å; A47-I51 WeakPolarHBondContact O-CB 3.3Å; A47-I51 WeakPolarHBondContact O-CD1 3.45Å; A47-I51 WeakPolarHBondContact O-CG1 3.17Å; A47-I51 PolarHBondContact O-N 3.35Å; L48-I51 PolarHBondContact O-N 3.42Å; I51-R54 PolarHBondContact O-N 3.16Å; I51-G55 PolarHBondContact O-N 3.04Å; I51-G56 PolarHBondContact O-N 3.04Å
52C92.3Very high92.1Very high4 Ų444.8 Ų44.83%0.02724%0.235CC..Hα-helixtrans-63.9-41.8177.8-76.90000111.8L48 I50 R54 G55 F83 F87L48-C52 VanDerWaalsContact O-CB 3.31Å; L48-C52 WeakPolarHBondContact O-CB 3.34Å; L48-C52 PolarHBondContact O-N 3.4Å; L48-C52 PolarHBondContact O-SG 3.47Å; I50-C52 PolarHBondContact O-N 3.45Å; C52-R54 PolarHBondContact O-N 2.96Å; C52-G55 PolarHBondContact O-N 2.9Å; C52-F83 HydrophobicContact CB-CE1 4Å; C52-F83 HydrophobicContact CB-CZ 3.93Å; C52-F87 HydrophobicContact CB-CD1 4.36Å; C52-F87 HydrophobicContact CB-CD2 4.06Å; C52-F87 HydrophobicContact CB-CE1 4Å; C52-F87 HydrophobicContact CB-CE2 3.68Å; C52-F87 HydrophobicContact CB-CG 4.39Å; C52-F87 HydrophobicContact CB-CZ 3.64Å
53S91.7Very high91.9Very high87 Ų8744.4 Ų44.461%0.60824%0.235SC*.Hα-helixtrans-61.5-29175.977.30000113.2E49 I50 G55E49-S53 VanDerWaalsContact O-CB 3.3Å; E49-S53 WeakPolarHBondContact O-CB 3.49Å; E49-S53 PolarHBondContact O-N 2.97Å; E49-S53 PolarHBondContact O-OG 3.28Å; I50-S53 PolarHBondContact O-N 3.04Å; I50-S53 PolarHBondContact O-OG 3Å; S53-G55 VanDerWaalsContact C-N 3.32Å
54R90.3Very high91.7Very high109 Ų10949.8 Ų49.841%0.41125%0.248SC..THydrogen-bonded Turntrans-895.4177.9-66.5-58.1-172.2951.5114K18 L25 I50 I51 C52K18-R54 PolarHBondContact O-NH1 3.4Å; K18-R54 PolarHBondContact O-NH2 3.44Å; L25-R54 HydrophobicContact CD1-CB 3.47Å; L25-R54 VanDerWaalsContact CD1-CB 3.47Å; I50-R54 VanDerWaalsContact O-CG 3.31Å; I50-R54 WeakPolarHBondContact O-CG 3.3Å; I50-R54 PolarHBondContact O-N 3.07Å; I51-R54 PolarHBondContact O-N 3.16Å; C52-R54 PolarHBondContact O-N 2.96Å
55G88.7Confident91.6Very high24 Ų2448.3 Ų48.325%0.24724%0.241CC..THydrogen-bonded Turntrans88.423.6175.600000114.4K22 N26 I51 C52 S53K22-G55 WeakPolarHBondContact CE-O 3.2Å; N26-G55 PolarHBondContact ND2-O 3.19Å; I51-G55 PolarHBondContact O-N 3.04Å; C52-G55 PolarHBondContact O-N 2.9Å; S53-G55 VanDerWaalsContact C-N 3.32Å
56G89.8Confident91.5Very high3 Ų347.3 Ų47.33%0.03124%0.236CC..  trans-59.6135.2160.400000110.4I51 P58I51-G56 PolarHBondContact O-N 3.04Å; G56-P58 WeakPolarHBondContact O-CD 3.41Å
57D91.1Very high91.6Very high65 Ų6541.9 Ų41.935%0.34821%0.211SC..  trans-83.1116.9-178.7-172-9.7000110.3N26 D59 R60N26-D57 VanDerWaalsContact OD1-CB 3.28Å; N26-D57 WeakPolarHBondContact OD1-CB 3.5Å; N26-D57 PolarHBondContact OD1-N 2.82Å; D57-D59 VanDerWaalsContact C-N 3.3Å; D57-D59 PolarHBondContact OD1-N 2.95Å; D57-R60 HydrophobicContact CB-CB 4.09Å
58P91.2Very high91.7Very high15 Ų1541.9 Ų41.910%0.09721%0.211CC..THydrogen-bonded Turntrans-77.1-14.6-179.735.1-39.5000113.3G56 P68 L84 F87 A89G56-P58 WeakPolarHBondContact O-CD 3.41Å; P58-P68 VanDerWaalsContact O-CD 3.3Å; P58-P68 WeakPolarHBondContact O-CD 3.36Å; P58-P68 WeakPolarHBondContact O-CG 3.33Å; P58-L84 HydrophobicContact CB-CD2 4.18Å; P58-F87 HydrophobicContact CB-CD1 4.23Å; P58-F87 HydrophobicContact CG-CD1 3.85Å; P58-F87 HydrophobicContact CG-CE1 3.92Å; P58-A89 HydrophobicContact CB-CB 4.13Å
59D91.4Very high91.8Very high74 Ų7442 Ų4240%0.39621%0.211SC..THydrogen-bonded Turntrans-98.9-4.4-178.9-72.2-29.6000112.6D57 N90D57-D59 VanDerWaalsContact C-N 3.3Å; D57-D59 PolarHBondContact OD1-N 2.95Å; D59-N90 WeakPolarHBondContact OD1-CB 3.48Å; D59-N90 PolarHBondContact OD1-N 2.92Å
60R90.9Very high91.9Very high97 Ų9737.9 Ų37.937%0.36619%0.192SC..  trans-65.1140.7176.3-168.361.9175.1-85.4-6.9109.1T34 L37 D57 P68T34-R60 HydrophobicContact CG2-CB 4.48Å; T34-R60 HydrophobicContact CG2-CG 3.78Å; L37-R60 WeakPolarHBondContact CD1-O 3.3Å; D57-R60 HydrophobicContact CB-CB 4.09Å; R60-P68 WeakPolarHBondContact O-CD 3.39Å
61C91.9Very high92Very high23 Ų2337.6 Ų37.616%0.15519%0.19CC..  trans-116.7166.8-178.767.40000112.3N66 T67 Q146C61-N66 CarbonylContact C-O 3.56Å; C61-N66 WeakPolarHBondContact CA-O 3.45Å; C61-N66 WeakPolarHBondContact CB-O 3.39Å; C61-T67 HydrophobicContact CB-CG2 4.25Å; C61-Q146 PolarHBondContact SG-NE2 2.99Å
62D91.9Very high92.2Very high8 Ų837.5 Ų37.54%0.04319%0.19CC..  trans-79.5-170.7169.46611.6000112.3M33 L37 W64 G65 N66 F71M33-D62 HydrophobicContact SD-CB 3.81Å; L37-D62 HydrophobicContact CD2-CB 3.63Å; D62-W64 HydrophobicContact CB-CE3 4.4Å; D62-W64 PolarHBondContact O-N 3.12Å; D62-W64 VanDerWaalsContact OD1-C 3.24Å; D62-W64 VanDerWaalsContact OD1-CA 3.28Å; D62-W64 WeakPolarHBondContact OD1-CA 3.12Å; D62-W64 PolarHBondContact OD1-N 3.27Å; D62-G65 PolarHBondContact O-N 3.37Å; D62-G65 PolarHBondContact OD1-N 2.98Å; D62-N66 PolarHBondContact N-O 2.92Å; D62-N66 PolarHBondContact OD1-N 3.44Å; D62-N66 WeakPolarHBondContact OD2-CB 3.37Å; D62-N66 PolarHBondContact OD2-ND2 3.5Å; D62-F71 WeakPolarHBondContact OD2-CE2 3.28Å; D62-F71 WeakPolarHBondContact OD2-CZ 3.47Å
63I89.2Confident92.4Very high78 Ų7837.3 Ų37.340%0.419%0.188SC..THydrogen-bonded Turntrans-68.1-20.317561.9176.4000113.8D31 N96D31-I63 WeakPolarHBondContact O-CG1 3.34Å; D31-I63 PolarHBondContact O-N 3.34Å; I63-N96 PolarHBondContact O-ND2 3.45Å; I63-N96 VanDerWaalsContact O-ND2 3.11Å
64W89Confident92.6Very high135 Ų13534.2 Ų34.251%0.51117%0.167SC..THydrogen-bonded Turntrans-92.6-1.7178.5-61.1-73.3000112.6D31 D62 N66 N96D31-W64 HydrophobicContact CB-CH2 4.42Å; D31-W64 HydrophobicContact CB-CZ3 4.39Å; D62-W64 HydrophobicContact CB-CE3 4.4Å; D62-W64 PolarHBondContact O-N 3.12Å; D62-W64 VanDerWaalsContact OD1-C 3.24Å; D62-W64 VanDerWaalsContact OD1-CA 3.28Å; D62-W64 WeakPolarHBondContact OD1-CA 3.12Å; D62-W64 PolarHBondContact OD1-N 3.27Å; W64-N66 VanDerWaalsContact C-N 3.33Å; W64-N66 WeakPolarHBondContact CB-ND2 3.25Å; W64-N96 VanDerWaalsContact C-CG 3.45Å; W64-N96 VanDerWaalsContact CA-ND2 3.3Å; W64-N96 WeakPolarHBondContact CA-ND2 3.5Å; W64-N96 WeakPolarHBondContact O-CB 3.48Å; W64-N96 PolarHBondContact O-N 3.08Å; W64-N96 PolarHBondContact O-ND2 3.45Å
65G90.5Very high92.8Very high1 Ų131.9 Ų31.91%0.0116%0.162CC..  trans84.81.9-178.500000114D62 T67D62-G65 PolarHBondContact O-N 3.37Å; D62-G65 PolarHBondContact OD1-N 2.98Å; G65-T67 PolarHBondContact O-N 2.98Å
66N93.6Very high93Very high32 Ų3231.7 Ų31.717%0.17116%0.161CC..  trans-71.7128.9178.2-56.8-58.5000110.5C61 D62 W64 H70 F71C61-N66 CarbonylContact C-O 3.56Å; C61-N66 WeakPolarHBondContact CA-O 3.45Å; C61-N66 WeakPolarHBondContact CB-O 3.39Å; D62-N66 PolarHBondContact N-O 2.92Å; D62-N66 PolarHBondContact OD1-N 3.44Å; D62-N66 WeakPolarHBondContact OD2-CB 3.37Å; D62-N66 PolarHBondContact OD2-ND2 3.5Å; W64-N66 VanDerWaalsContact C-N 3.33Å; W64-N66 WeakPolarHBondContact CB-ND2 3.25Å; N66-H70 HydrophobicContact CB-CB 4.03Å; N66-F71 HydrophobicContact CB-CD2 4.17Å; N66-F71 HydrophobicContact CB-CE1 4.47Å; N66-F71 HydrophobicContact CB-CE2 3.58Å; N66-F71 HydrophobicContact CB-CZ 3.8Å
67T94.9Very high93.3Very high8 Ų834.2 Ų34.25%0.04917%0.171CC..  trans-88.8165.2170.863.50000110.8C61 G65 L69 H70 F71 A93C61-T67 HydrophobicContact CB-CG2 4.25Å; G65-T67 PolarHBondContact O-N 2.98Å; T67-L69 PolarHBondContact O-N 3.34Å; T67-L69 VanDerWaalsContact O-N 3.08Å; T67-H70 PolarHBondContact N-ND1 2.94Å; T67-H70 WeakPolarHBondContact O-CB 3.33Å; T67-H70 PolarHBondContact O-N 3.18Å; T67-H70 PolarHBondContact OG1-ND1 2.96Å; T67-F71 PolarHBondContact O-N 3.29Å; T67-A93 HydrophobicContact CG2-CB 3.75Å
68P95.4Very high93.5Very high0 Ų031.4 Ų31.40%016%0.157CC..Hα-helixtrans-47.6-36.8170.4-30.933000113.2T36 L37 A40 P58 R60 F71 A72 L84T36-P68 HydrophobicContact CG2-CB 4.41Å; T36-P68 HydrophobicContact CG2-CG 3.93Å; L37-P68 HydrophobicContact CD1-CG 3.82Å; L37-P68 HydrophobicContact CG-CG 4.09Å; A40-P68 HydrophobicContact CB-CB 3.81Å; A40-P68 WeakPolarHBondContact CB-O 3.31Å; P58-P68 VanDerWaalsContact O-CD 3.3Å; P58-P68 WeakPolarHBondContact O-CD 3.36Å; P58-P68 WeakPolarHBondContact O-CG 3.33Å; R60-P68 WeakPolarHBondContact O-CD 3.39Å; P68-F71 PolarHBondContact O-N 2.98Å; P68-A72 WeakPolarHBondContact O-CB 3.47Å; P68-A72 PolarHBondContact O-N 3.36Å; P68-L84 HydrophobicContact CB-CD1 4.03Å; P68-L84 HydrophobicContact CB-CD2 4.37Å
69L96.1Very high93.7Very high1 Ų137.4 Ų37.41%0.00518%0.184CC..Hα-helixtrans-67.3-37178.1-165.462000112.5T67 A73 V81 L84 V85 I91 P101 L117T67-L69 PolarHBondContact O-N 3.34Å; T67-L69 VanDerWaalsContact O-N 3.08Å; L69-A73 WeakPolarHBondContact O-CB 3.35Å; L69-A73 PolarHBondContact O-N 3.29Å; L69-V81 HydrophobicContact CD1-CB 4.45Å; L69-V81 HydrophobicContact CD1-CG1 4.11Å; L69-V81 HydrophobicContact CD1-CG2 4.44Å; L69-L84 HydrophobicContact CB-CD1 4.37Å; L69-L84 HydrophobicContact CD1-CB 3.88Å; L69-L84 HydrophobicContact CD1-CD1 4.05Å; L69-V85 HydrophobicContact CD1-CG2 4.38Å; L69-I91 HydrophobicContact CD2-CB 4.47Å; L69-I91 HydrophobicContact CD2-CG1 4.45Å; L69-P101 HydrophobicContact CB-CB 4.37Å; L69-P101 HydrophobicContact CB-CG 4.19Å; L69-P101 HydrophobicContact CD2-CB 4.13Å; L69-P101 HydrophobicContact CD2-CG 3.93Å; L69-P101 HydrophobicContact CG-CB 3.86Å; L69-P101 HydrophobicContact CG-CG 4.01Å; L69-L117 HydrophobicContact CD1-CD2 4.2Å; L69-L117 HydrophobicContact CD2-CD2 4.1Å; L69-L117 HydrophobicContact CG-CD2 4.29Å
70H95.8Very high93.9Very high2 Ų233.9 Ų33.91%0.00917%0.165CC..Hα-helixtrans-60.8-46.3173.7-72.982.2000110.9N66 T67 A73 S74 Q99 P101N66-H70 HydrophobicContact CB-CB 4.03Å; T67-H70 PolarHBondContact N-ND1 2.94Å; T67-H70 WeakPolarHBondContact O-CB 3.33Å; T67-H70 PolarHBondContact O-N 3.18Å; T67-H70 PolarHBondContact OG1-ND1 2.96Å; H70-A73 PolarHBondContact O-N 3.45Å; H70-S74 VanDerWaalsContact O-CB 3.28Å; H70-S74 WeakPolarHBondContact O-CB 3.39Å; H70-S74 PolarHBondContact O-N 3.06Å; H70-S74 PolarHBondContact O-OG 3.32Å; H70-Q99 PolarHBondContact NE2-O 2.92Å; H70-Q99 VanDerWaalsContact NE2-O 3.11Å; H70-P101 WeakPolarHBondContact NE2-CD 3.43Å
71F95.3Very high94.1Very high22 Ų2229.3 Ų29.310%0.09615%0.148CC..Hα-helixtrans-67.2-44.6-179.6-74.8-60.5000113.3M33 L37 Y41 D62 N66 T67 P68 A73 S74 N75M33-F71 HydrophobicContact CE-CE2 4Å; M33-F71 HydrophobicContact CE-CZ 4.07Å; M33-F71 HydrophobicContact SD-CE2 4.08Å; M33-F71 HydrophobicContact SD-CZ 4.11Å; L37-F71 HydrophobicContact CB-CD2 4.48Å; L37-F71 HydrophobicContact CD2-CD2 4.27Å; L37-F71 HydrophobicContact CD2-CE2 3.75Å; L37-F71 HydrophobicContact CG-CD2 4.3Å; L37-F71 HydrophobicContact CG-CE2 4.27Å; Y41-F71 HydrophobicContact CD2-CB 4.49Å; Y41-F71 AromaticContact CD2-CD1 3.56Å; Y41-F71 HydrophobicContact CD2-CD1 3.56Å; Y41-F71 AromaticContact CD2-CE1 3.98Å; Y41-F71 HydrophobicContact CD2-CE1 3.98Å; Y41-F71 HydrophobicContact CD2-CG 4.19Å; Y41-F71 HydrophobicContact CE2-CD1 4.27Å; Y41-F71 HydrophobicContact CE2-CE1 4.43Å; D62-F71 WeakPolarHBondContact OD2-CE2 3.28Å; D62-F71 WeakPolarHBondContact OD2-CZ 3.47Å; N66-F71 HydrophobicContact CB-CD2 4.17Å; N66-F71 HydrophobicContact CB-CE1 4.47Å; N66-F71 HydrophobicContact CB-CE2 3.58Å; N66-F71 HydrophobicContact CB-CZ 3.8Å; T67-F71 PolarHBondContact O-N 3.29Å; P68-F71 PolarHBondContact O-N 2.98Å; F71-A73 VanDerWaalsContact C-N 3.28Å; F71-A73 PolarHBondContact O-N 2.9Å; F71-S74 PolarHBondContact O-OG 3.33Å; F71-N75 VanDerWaalsContact O-CB 3.3Å; F71-N75 WeakPolarHBondContact O-CB 3.48Å; F71-N75 PolarHBondContact O-N 3.14Å; F71-N75 VanDerWaalsContact O-N 3.1Å
72A96.1Very high94.3Very high0 Ų030.6 Ų30.60%016%0.157CC..Hα-helixtrans-60.9-41.8176.100000111A40 P68 G76 H77 C80 V81 L84A40-A72 HydrophobicContact CB-CB 4.39Å; P68-A72 WeakPolarHBondContact O-CB 3.47Å; P68-A72 PolarHBondContact O-N 3.36Å; A72-G76 PolarHBondContact O-N 3.28Å; A72-H77 HydrophobicContact CB-CB 4.46Å; A72-H77 PolarHBondContact O-N 3.05Å; A72-C80 HydrophobicContact CB-CB 3.93Å; A72-V81 HydrophobicContact CB-CG2 3.77Å; A72-L84 HydrophobicContact CB-CD1 4.23Å
73A95.9Very high94.5Very high0 Ų032.1 Ų32.10%016%0.163CC..Hα-helixtrans-71.7-41.7-179.200000112.8L69 H70 F71 N75 G76 V81 P101 A105 L117L69-A73 WeakPolarHBondContact O-CB 3.35Å; L69-A73 PolarHBondContact O-N 3.29Å; H70-A73 PolarHBondContact O-N 3.45Å; F71-A73 VanDerWaalsContact C-N 3.28Å; F71-A73 PolarHBondContact O-N 2.9Å; A73-N75 VanDerWaalsContact C-N 3.32Å; A73-N75 PolarHBondContact O-N 3.4Å; A73-G76 PolarHBondContact O-N 3.32Å; A73-V81 HydrophobicContact CB-CG2 4.24Å; A73-P101 HydrophobicContact CB-CB 4.35Å; A73-P101 WeakPolarHBondContact CB-O 3.35Å; A73-A105 HydrophobicContact CB-CB 4.07Å; A73-L117 HydrophobicContact CB-CD1 3.88Å
74S95.1Very high94.8Very high22 Ų2228.4 Ų28.415%0.15414%0.144CC..Hα-helixtrans-68-32178.869.80000112.9H70 F71 R108H70-S74 VanDerWaalsContact O-CB 3.28Å; H70-S74 WeakPolarHBondContact O-CB 3.39Å; H70-S74 PolarHBondContact O-N 3.06Å; H70-S74 PolarHBondContact O-OG 3.32Å; F71-S74 PolarHBondContact O-OG 3.33Å; S74-R108 WeakPolarHBondContact O-CB 3.24Å; S74-R108 WeakPolarHBondContact O-CG 3.31Å
75N94.2Very high95.1Very high59 Ų5923.1 Ų23.132%0.31613%0.127SC..THydrogen-bonded Turntrans-92.4-2.5-177.6-66.1-6.6000113.1Y41 F71 A73Y41-N75 WeakPolarHBondContact CD2-ND2 3.44Å; Y41-N75 PolarHBondContact O-ND2 3.05Å; F71-N75 VanDerWaalsContact O-CB 3.3Å; F71-N75 WeakPolarHBondContact O-CB 3.48Å; F71-N75 PolarHBondContact O-N 3.14Å; F71-N75 VanDerWaalsContact O-N 3.1Å; A73-N75 VanDerWaalsContact C-N 3.32Å; A73-N75 PolarHBondContact O-N 3.4Å
76G94.1Very high95.2Very high21 Ų2129.1 Ų29.122%0.21616%0.159CC..THydrogen-bonded Turntrans80.817.5176.900000115A72 A73 A78 Q110A72-G76 PolarHBondContact O-N 3.28Å; A73-G76 PolarHBondContact O-N 3.32Å; G76-A78 VanDerWaalsContact C-N 3.28Å; G76-A78 PolarHBondContact O-N 2.62Å; G76-Q110 VanDerWaalsContact CA-OE1 3.25Å
77H95.8Very high95.1Very high55 Ų5532 Ų3226%0.25517%0.17SC..  trans-81.171.4-177.5-62.1-48.7000111.5A40 Y41 G43 A72 H79 C80 V81A40-H77 PolarHBondContact O-CD2 3.38Å; Y41-H77 PolarHBondContact O-NE2 2.73Å; G43-H77 WeakPolarHBondContact CA-CD2 3.35Å; G43-H77 VanDerWaalsContact CA-CG 3.46Å; G43-H77 WeakPolarHBondContact CA-NE2 3.38Å; G43-H77 PolarHBondContact N-CD2 3.42Å; G43-H77 PolarHBondContact N-NE2 2.82Å; A72-H77 HydrophobicContact CB-CB 4.46Å; A72-H77 PolarHBondContact O-N 3.05Å; H77-H79 VanDerWaalsContact C-N 3.27Å; H77-H79 PolarHBondContact O-N 2.92Å; H77-C80 HydrophobicContact CB-CB 3.96Å; H77-C80 WeakPolarHBondContact O-CB 3.37Å; H77-C80 PolarHBondContact O-N 3.09Å; H77-V81 PolarHBondContact O-N 3.41Å
78A94.9Very high94.9Very high6 Ų634 Ų345%0.0519%0.192CC..Hα-helixtrans-52.7-40.3-174.500000113.6G76 C80 V81 S82 E112 L116G76-A78 VanDerWaalsContact C-N 3.28Å; G76-A78 PolarHBondContact O-N 2.62Å; A78-C80 PolarHBondContact O-N 3.03Å; A78-V81 WeakPolarHBondContact O-CB 3.44Å; A78-V81 PolarHBondContact O-N 3.43Å; A78-S82 PolarHBondContact O-N 2.98Å; A78-E112 HydrophobicContact CB-CG 3.92Å; A78-L116 HydrophobicContact CB-CD1 3.86Å
79H95.7Very high94.8Very high141 Ų14134.1 Ų34.165%0.65319%0.193SC*.Hα-helixtrans-64-41.2177-56.4-51.2000112.7L45 H77 S82 F83L45-H79 HydrophobicContact CD2-CB 4.2Å; H77-H79 VanDerWaalsContact C-N 3.27Å; H77-H79 PolarHBondContact O-N 2.92Å; H79-S82 PolarHBondContact O-N 3.09Å; H79-F83 PolarHBondContact O-N 3.22Å
80C95.8Very high94.6Very high1 Ų134.8 Ų34.81%0.00720%0.197CC..Hα-helixtrans-67.1-38.9175.8-69.40000111.3G43 L48 A72 H77 A78 F83 L84G43-C80 VanDerWaalsContact C-SG 3.54Å; L48-C80 HydrophobicContact CD2-CB 4.08Å; A72-C80 HydrophobicContact CB-CB 3.93Å; H77-C80 HydrophobicContact CB-CB 3.96Å; H77-C80 WeakPolarHBondContact O-CB 3.37Å; H77-C80 PolarHBondContact O-N 3.09Å; A78-C80 PolarHBondContact O-N 3.03Å; C80-F83 PolarHBondContact O-N 2.9Å; C80-L84 WeakPolarHBondContact O-CB 3.11Å; C80-L84 VanDerWaalsContact O-CG 3.3Å; C80-L84 WeakPolarHBondContact O-CG 3.31Å; C80-L84 PolarHBondContact O-N 2.67Å
81V96Very high94.5Very high0 Ų035 Ų350%020%0.198CC..Hα-helixtrans-60.3-49.9174.8172.10000110.6L69 A72 A73 H77 A78 F83 L84 V85 L117L69-V81 HydrophobicContact CD1-CB 4.45Å; L69-V81 HydrophobicContact CD1-CG1 4.11Å; L69-V81 HydrophobicContact CD1-CG2 4.44Å; A72-V81 HydrophobicContact CB-CG2 3.77Å; A73-V81 HydrophobicContact CB-CG2 4.24Å; H77-V81 PolarHBondContact O-N 3.41Å; A78-V81 WeakPolarHBondContact O-CB 3.44Å; A78-V81 PolarHBondContact O-N 3.43Å; V81-F83 VanDerWaalsContact C-N 3.33Å; V81-F83 PolarHBondContact O-N 3.14Å; V81-L84 PolarHBondContact O-N 3.42Å; V81-V85 HydrophobicContact CG1-CG2 4.39Å; V81-V85 WeakPolarHBondContact O-CB 3.48Å; V81-V85 VanDerWaalsContact O-CG2 3.28Å; V81-V85 WeakPolarHBondContact O-CG2 3.35Å; V81-V85 PolarHBondContact O-N 3.41Å; V81-L117 HydrophobicContact CG1-CD1 4.48Å; V81-L117 HydrophobicContact CG1-CD2 3.76Å; V81-L117 HydrophobicContact CG1-CG 3.85Å
82S95.6Very high94.4Very high51 Ų5135.1 Ų35.136%0.35720%0.198SC..Hα-helixtrans-58-45.4178.2-1720000111.7A78 H79 V85 N86A78-S82 PolarHBondContact O-N 2.98Å; H79-S82 PolarHBondContact O-N 3.09Å; S82-V85 PolarHBondContact O-N 3.04Å; S82-N86 WeakPolarHBondContact O-CB 3.23Å; S82-N86 VanDerWaalsContact O-CG 3.22Å; S82-N86 PolarHBondContact O-N 2.86Å; S82-N86 PolarHBondContact O-ND2 3.23Å
83F96Very high94.3Very high39 Ų3935.4 Ų35.417%0.17120%0.201CC..Hα-helixtrans-60.3-49.5176.2173.6-96.6000112.7L45 L48 E49 C52 H79 C80 V81 V85 N86 F87L45-F83 HydrophobicContact CD1-CB 3.55Å; L45-F83 HydrophobicContact CD1-CD2 4.45Å; L45-F83 HydrophobicContact CD1-CG 3.93Å; L48-F83 HydrophobicContact CB-CE1 4.5Å; L48-F83 HydrophobicContact CD2-CD1 3.62Å; L48-F83 HydrophobicContact CD2-CE1 4.17Å; L48-F83 HydrophobicContact CG-CD1 3.98Å; L48-F83 HydrophobicContact CG-CE1 4.01Å; E49-F83 HydrophobicContact CB-CE2 4.29Å; E49-F83 HydrophobicContact CB-CZ 4.29Å; E49-F83 HydrophobicContact CG-CD2 3.75Å; E49-F83 HydrophobicContact CG-CE1 4.47Å; E49-F83 HydrophobicContact CG-CE2 3.5Å; E49-F83 HydrophobicContact CG-CG 4.37Å; E49-F83 HydrophobicContact CG-CZ 3.89Å; C52-F83 HydrophobicContact CB-CE1 4Å; C52-F83 HydrophobicContact CB-CZ 3.93Å; H79-F83 PolarHBondContact O-N 3.22Å; C80-F83 PolarHBondContact O-N 2.9Å; V81-F83 VanDerWaalsContact C-N 3.33Å; V81-F83 PolarHBondContact O-N 3.14Å; F83-V85 VanDerWaalsContact C-N 3.33Å; F83-V85 PolarHBondContact O-N 3.17Å; F83-N86 PolarHBondContact O-N 3.35Å; F83-F87 HydrophobicContact CE1-CB 4.44Å; F83-F87 HydrophobicContact CZ-CB 4.43Å; F83-F87 HydrophobicContact CZ-CD2 4.06Å; F83-F87 HydrophobicContact CZ-CG 4.43Å; F83-F87 WeakPolarHBondContact O-CB 3.32Å; F83-F87 PolarHBondContact O-N 3.31Å
84L95.1Very high94.2Very high0 Ų037 Ų370%021%0.209CC..Hα-helixtrans-63.3-39.8-178.4-73.2169.3000112.2L48 P58 P68 L69 A72 C80 V81 F87 G88 A89L48-L84 HydrophobicContact CD1-CD2 4.41Å; L48-L84 HydrophobicContact CD2-CD1 4.17Å; L48-L84 HydrophobicContact CD2-CD2 3.96Å; L48-L84 HydrophobicContact CD2-CG 3.82Å; L48-L84 HydrophobicContact CG-CD2 4.33Å; P58-L84 HydrophobicContact CB-CD2 4.18Å; P68-L84 HydrophobicContact CB-CD1 4.03Å; P68-L84 HydrophobicContact CB-CD2 4.37Å; L69-L84 HydrophobicContact CB-CD1 4.37Å; L69-L84 HydrophobicContact CD1-CB 3.88Å; L69-L84 HydrophobicContact CD1-CD1 4.05Å; A72-L84 HydrophobicContact CB-CD1 4.23Å; C80-L84 WeakPolarHBondContact O-CB 3.11Å; C80-L84 VanDerWaalsContact O-CG 3.3Å; C80-L84 WeakPolarHBondContact O-CG 3.31Å; C80-L84 PolarHBondContact O-N 2.67Å; V81-L84 PolarHBondContact O-N 3.42Å; L84-F87 PolarHBondContact O-N 3.39Å; L84-G88 PolarHBondContact O-N 2.97Å; L84-G88 VanDerWaalsContact O-N 3.17Å; L84-A89 HydrophobicContact CB-CB 4.15Å; L84-A89 VanDerWaalsContact O-CB 3.23Å; L84-A89 WeakPolarHBondContact O-CB 3.43Å; L84-A89 PolarHBondContact O-N 3.1Å
85V94.4Very high94.1Very high24 Ų2436.4 Ų36.415%0.14520%0.204CC..Hα-helixtrans-61.7-47.2174.6167.30000110.6L69 V81 S82 F83 F87 G88 I91 L117 A120L69-V85 HydrophobicContact CD1-CG2 4.38Å; V81-V85 HydrophobicContact CG1-CG2 4.39Å; V81-V85 WeakPolarHBondContact O-CB 3.48Å; V81-V85 VanDerWaalsContact O-CG2 3.28Å; V81-V85 WeakPolarHBondContact O-CG2 3.35Å; V81-V85 PolarHBondContact O-N 3.41Å; S82-V85 PolarHBondContact O-N 3.04Å; F83-V85 VanDerWaalsContact C-N 3.33Å; F83-V85 PolarHBondContact O-N 3.17Å; V85-F87 VanDerWaalsContact C-N 3.32Å; V85-F87 PolarHBondContact O-N 3.18Å; V85-G88 PolarHBondContact O-N 3.45Å; V85-I91 HydrophobicContact CG1-CD1 4.11Å; V85-I91 HydrophobicContact CG2-CD1 4.22Å; V85-I91 HydrophobicContact CG2-CG1 4.31Å; V85-L117 HydrophobicContact CG2-CD2 4.17Å; V85-A120 HydrophobicContact CG1-CB 3.59Å; V85-A120 HydrophobicContact CG2-CB 4.38Å
86N93.4Very high93.9Very high128 Ų12835.1 Ų35.168%0.68420%0.198SC*.Hα-helixtrans-66.8-33.5178.7-72.1-21.3000112.7S82 F83 G88S82-N86 WeakPolarHBondContact O-CB 3.23Å; S82-N86 VanDerWaalsContact O-CG 3.22Å; S82-N86 PolarHBondContact O-N 2.86Å; S82-N86 PolarHBondContact O-ND2 3.23Å; F83-N86 PolarHBondContact O-N 3.35Å; N86-G88 PolarHBondContact O-N 2.97Å
87F92.3Very high93.6Very high93 Ų9340.3 Ų40.341%0.40822%0.22SC..Hα-helixtrans-69.3-17.5174.1-165.7-98.3000112.5C52 P58 F83 L84 V85C52-F87 HydrophobicContact CB-CD1 4.36Å; C52-F87 HydrophobicContact CB-CD2 4.06Å; C52-F87 HydrophobicContact CB-CE1 4Å; C52-F87 HydrophobicContact CB-CE2 3.68Å; C52-F87 HydrophobicContact CB-CG 4.39Å; C52-F87 HydrophobicContact CB-CZ 3.64Å; P58-F87 HydrophobicContact CB-CD1 4.23Å; P58-F87 HydrophobicContact CG-CD1 3.85Å; P58-F87 HydrophobicContact CG-CE1 3.92Å; F83-F87 HydrophobicContact CE1-CB 4.44Å; F83-F87 HydrophobicContact CZ-CB 4.43Å; F83-F87 HydrophobicContact CZ-CD2 4.06Å; F83-F87 HydrophobicContact CZ-CG 4.43Å; F83-F87 WeakPolarHBondContact O-CB 3.32Å; F83-F87 PolarHBondContact O-N 3.31Å; L84-F87 PolarHBondContact O-N 3.39Å; V85-F87 VanDerWaalsContact C-N 3.32Å; V85-F87 PolarHBondContact O-N 3.18Å
88G89.8Confident93.5Very high50 Ų5042.4 Ų42.452%0.51523%0.233SC..THydrogen-bonded Turntrans95.525175.900000114.4L84 V85 N86L84-G88 PolarHBondContact O-N 2.97Å; L84-G88 VanDerWaalsContact O-N 3.17Å; V85-G88 PolarHBondContact O-N 3.45Å; N86-G88 PolarHBondContact O-N 2.97Å
89A92.8Very high93.4Very high2 Ų245.8 Ų45.82%0.01725%0.247CC..  trans-58.6150170.700000111.2P58 L84 I91P58-A89 HydrophobicContact CB-CB 4.13Å; L84-A89 HydrophobicContact CB-CB 4.15Å; L84-A89 VanDerWaalsContact O-CB 3.23Å; L84-A89 WeakPolarHBondContact O-CB 3.43Å; L84-A89 PolarHBondContact O-N 3.1Å; A89-I91 PolarHBondContact O-N 3.41Å; A89-I91 VanDerWaalsContact O-N 3.1Å
90N92.1Very high93.3Very high15 Ų1540.5 Ų40.58%0.0823%0.225CC..  trans-74103.8179.4-175.616.1000111.5D59 F92 A93D59-N90 WeakPolarHBondContact OD1-CB 3.48Å; D59-N90 PolarHBondContact OD1-N 2.92Å; N90-F92 PolarHBondContact O-N 2.71Å; N90-F92 PolarHBondContact OD1-N 3.27Å; N90-F92 VanDerWaalsContact OD1-N 3.11Å; N90-A93 WeakPolarHBondContact O-CB 3.3Å; N90-A93 PolarHBondContact O-N 2.7Å
91I94.4Very high93.3Very high6 Ų640.4 Ų40.43%0.03123%0.225CC..THydrogen-bonded Turntrans-63.2-26177.8-49179.1000112L69 V85 A89 P101 L117 A120 Q124L69-I91 HydrophobicContact CD2-CB 4.47Å; L69-I91 HydrophobicContact CD2-CG1 4.45Å; V85-I91 HydrophobicContact CG1-CD1 4.11Å; V85-I91 HydrophobicContact CG2-CD1 4.22Å; V85-I91 HydrophobicContact CG2-CG1 4.31Å; A89-I91 PolarHBondContact O-N 3.41Å; A89-I91 VanDerWaalsContact O-N 3.1Å; I91-P101 WeakPolarHBondContact O-CD 3.48Å; I91-L117 HydrophobicContact CG2-CD2 4.02Å; I91-A120 HydrophobicContact CD1-CB 3.7Å; I91-Q124 HydrophobicContact CD1-CG 4.33Å; I91-Q124 VanDerWaalsContact CD1-NE2 3.26Å
92F93.6Very high93.3Very high24 Ų2442.8 Ų42.811%0.10524%0.237CC..THydrogen-bonded Turntrans-98.117-178.1-50.4-72.6000113N90 A121 V132 L135 K136 A139N90-F92 PolarHBondContact O-N 2.71Å; N90-F92 PolarHBondContact OD1-N 3.27Å; N90-F92 VanDerWaalsContact OD1-N 3.11Å; F92-A121 HydrophobicContact CE1-CB 4.14Å; F92-A121 HydrophobicContact CZ-CB 4.2Å; F92-V132 HydrophobicContact CD2-CG1 4.3Å; F92-V132 HydrophobicContact CE1-CG1 4.3Å; F92-V132 HydrophobicContact CE2-CB 4.29Å; F92-V132 HydrophobicContact CE2-CG1 3.68Å; F92-V132 HydrophobicContact CE2-CG2 3.96Å; F92-V132 HydrophobicContact CZ-CG1 3.67Å; F92-V132 HydrophobicContact CZ-CG2 4.26Å; F92-L135 HydrophobicContact CD2-CB 4.21Å; F92-L135 HydrophobicContact CD2-CD1 4.48Å; F92-K136 HydrophobicContact CB-CG 3.86Å; F92-K136 HydrophobicContact CD1-CD 4.46Å; F92-K136 VanDerWaalsContact CD1-CE 3.44Å; F92-K136 HydrophobicContact CD1-CG 4.16Å; F92-K136 HydrophobicContact CD2-CG 4.41Å; F92-K136 HydrophobicContact CG-CG 3.87Å; F92-A139 WeakPolarHBondContact O-CB 3.27Å
93A93.4Very high93.2Very high7 Ų743.9 Ų43.96%0.05824%0.239CC..  trans-56.4148.3172.900000110.3T67 N90 T100 P101T67-A93 HydrophobicContact CG2-CB 3.75Å; N90-A93 WeakPolarHBondContact O-CB 3.3Å; N90-A93 PolarHBondContact O-N 2.7Å; A93-T100 WeakPolarHBondContact O-CA 3.42Å; A93-P101 VanDerWaalsContact O-CD 3.31Å; A93-P101 WeakPolarHBondContact O-CD 3.43Å
94L94.4Very high93.1Very high34 Ų3442.5 Ų42.518%0.17824%0.235CC..  trans-122.1135.3178.9-65.9174.4000108.7L98 Q99 T100 A139 Q140 A143L94-L98 HydrophobicContact CD1-CD2 4.45Å; L94-Q99 WeakPolarHBondContact CA-O 3.43Å; L94-T100 HydrophobicContact CD2-CG2 3.55Å; L94-A139 HydrophobicContact CG-CB 4.27Å; L94-Q140 HydrophobicContact CD1-CB 4.39Å; L94-A143 HydrophobicContact CB-CB 3.91Å
95D92.4Very high93.1Very high8 Ų842.5 Ų42.54%0.04324%0.235CC..  trans-78.8-174.1169.271.36.2000111.9D97 L98 Q99D95-D97 PolarHBondContact O-N 3.41Å; D95-D97 VanDerWaalsContact OD1-C 3.25Å; D95-D97 WeakPolarHBondContact OD1-CA 3.35Å; D95-D97 PolarHBondContact OD1-N 2.95Å; D95-L98 PolarHBondContact O-N 3.35Å; D95-L98 VanDerWaalsContact O-N 3.16Å; D95-L98 PolarHBondContact OD1-N 3.13Å; D95-Q99 PolarHBondContact N-O 3.43Å; D95-Q99 VanDerWaalsContact N-O 3.11Å; D95-Q99 PolarHBondContact OD1-N 3.07Å
96N89.8Confident93.1Very high33 Ų3344 Ų4418%0.17625%0.249CC..THydrogen-bonded Turntrans-66.7-23.9177.8-74.4-17.3000113.4I63 W64 L98 Q146 I147I63-N96 PolarHBondContact O-ND2 3.45Å; I63-N96 VanDerWaalsContact O-ND2 3.11Å; W64-N96 VanDerWaalsContact C-CG 3.45Å; W64-N96 VanDerWaalsContact CA-ND2 3.3Å; W64-N96 WeakPolarHBondContact CA-ND2 3.5Å; W64-N96 WeakPolarHBondContact O-CB 3.48Å; W64-N96 PolarHBondContact O-N 3.08Å; W64-N96 PolarHBondContact O-ND2 3.45Å; N96-L98 VanDerWaalsContact C-N 3.26Å; N96-Q146 WeakPolarHBondContact OD1-CB 3.46Å; N96-I147 HydrophobicContact CB-CG1 4.36Å; N96-I147 WeakPolarHBondContact O-CD1 3.4Å
97D89.1Confident93.1Very high129 Ų12941.3 Ų41.369%0.6924%0.241SC*.THydrogen-bonded Turntrans-89.66.2176.4-67.1-36.6000112.1D95 Q99D95-D97 PolarHBondContact O-N 3.41Å; D95-D97 VanDerWaalsContact OD1-C 3.25Å; D95-D97 WeakPolarHBondContact OD1-CA 3.35Å; D95-D97 PolarHBondContact OD1-N 2.95Å; D97-Q99 HydrophobicContact CB-CG 4.15Å; D97-Q99 PolarHBondContact O-N 3.32Å
98L91.8Very high93.1Very high99 Ų9944.8 Ų44.852%0.51825%0.251SS..  trans61.228.1-177.6-51.9174.1000113.4L94 D95 N96 A143 I147L94-L98 HydrophobicContact CD1-CD2 4.45Å; D95-L98 PolarHBondContact O-N 3.35Å; D95-L98 VanDerWaalsContact O-N 3.16Å; D95-L98 PolarHBondContact OD1-N 3.13Å; N96-L98 VanDerWaalsContact C-N 3.26Å; L98-A143 HydrophobicContact CD2-CB 4.03Å; L98-I147 HydrophobicContact CD2-CD1 4.13Å
99Q93.4Very high93.3Very high77 Ų7750 Ų5036%0.3626%0.262SS..  trans-87.9143.6172.4-57.2-168.8-10.300110H70 L94 D95 D97 D103H70-Q99 PolarHBondContact NE2-O 2.92Å; H70-Q99 VanDerWaalsContact NE2-O 3.11Å; L94-Q99 WeakPolarHBondContact CA-O 3.43Å; D95-Q99 PolarHBondContact N-O 3.43Å; D95-Q99 VanDerWaalsContact N-O 3.11Å; D95-Q99 PolarHBondContact OD1-N 3.07Å; D97-Q99 HydrophobicContact CB-CG 4.15Å; D97-Q99 PolarHBondContact O-N 3.32Å; Q99-D103 HydrophobicContact CB-CB 4.1Å
100T94.9Very high93.4Very high30 Ų3053.1 Ų53.118%0.18428%0.276CS..  trans-88.2164.4170.664.50000110.8A93 L94 L102 D103 A104A93-T100 WeakPolarHBondContact O-CA 3.42Å; L94-T100 HydrophobicContact CD2-CG2 3.55Å; T100-L102 PolarHBondContact O-N 2.9Å; T100-L102 VanDerWaalsContact O-N 3.16Å; T100-D103 WeakPolarHBondContact CB-OD2 3.26Å; T100-D103 PolarHBondContact N-OD2 2.92Å; T100-D103 WeakPolarHBondContact O-CB 3.28Å; T100-D103 PolarHBondContact O-N 3.49Å; T100-D103 PolarHBondContact OG1-N 3.34Å; T100-D103 PolarHBondContact OG1-OD2 3.23Å; T100-A104 PolarHBondContact O-N 3.05Å
101P94.6Very high93.4Very high0 Ų058.4 Ų58.40%031%0.305CS..Hα-helixtrans-55.7-31.3171.6-24.331.5000113.3L69 H70 A73 I91 A93 A104 A105 L117L69-P101 HydrophobicContact CB-CB 4.37Å; L69-P101 HydrophobicContact CB-CG 4.19Å; L69-P101 HydrophobicContact CD2-CB 4.13Å; L69-P101 HydrophobicContact CD2-CG 3.93Å; L69-P101 HydrophobicContact CG-CB 3.86Å; L69-P101 HydrophobicContact CG-CG 4.01Å; H70-P101 WeakPolarHBondContact NE2-CD 3.43Å; A73-P101 HydrophobicContact CB-CB 4.35Å; A73-P101 WeakPolarHBondContact CB-O 3.35Å; I91-P101 WeakPolarHBondContact O-CD 3.48Å; A93-P101 VanDerWaalsContact O-CD 3.31Å; A93-P101 WeakPolarHBondContact O-CD 3.43Å; P101-A104 PolarHBondContact O-N 3.21Å; P101-A105 PolarHBondContact O-N 2.92Å; P101-L117 HydrophobicContact CB-CD1 4.27Å
102L95.4Very high93.4Very high49 Ų4964.3 Ų64.326%0.25733%0.332SS..Hα-helixtrans-66.3-45.5174.7-179.365.3000111.1T100 A104 A105 A106 V114 L117T100-L102 PolarHBondContact O-N 2.9Å; T100-L102 VanDerWaalsContact O-N 3.16Å; L102-A104 VanDerWaalsContact C-N 3.31Å; L102-A104 PolarHBondContact O-N 3.48Å; L102-A105 PolarHBondContact O-N 3.36Å; L102-A106 WeakPolarHBondContact O-CB 3.42Å; L102-A106 PolarHBondContact O-N 3.28Å; L102-V114 HydrophobicContact CD1-CB 4.21Å; L102-V114 HydrophobicContact CD1-CG1 3.84Å; L102-V114 HydrophobicContact CD1-CG2 4.42Å; L102-L117 HydrophobicContact CB-CD1 4.49Å; L102-L117 HydrophobicContact CD1-CB 3.88Å
103D94.6Very high93.4Very high75 Ų7563.2 Ų63.240%0.40133%0.328SS..Hα-helixtrans-63.6-39.5176.2-56.5-45.9000111Q99 T100 A106 S107Q99-D103 HydrophobicContact CB-CB 4.1Å; T100-D103 WeakPolarHBondContact CB-OD2 3.26Å; T100-D103 PolarHBondContact N-OD2 2.92Å; T100-D103 WeakPolarHBondContact O-CB 3.28Å; T100-D103 PolarHBondContact O-N 3.49Å; T100-D103 PolarHBondContact OG1-N 3.34Å; T100-D103 PolarHBondContact OG1-OD2 3.23Å; D103-A106 PolarHBondContact O-N 3.18Å; D103-S107 WeakPolarHBondContact O-CB 3.41Å; D103-S107 PolarHBondContact O-N 2.92Å
104A93.3Very high93.5Very high9 Ų964.8 Ų64.87%0.07434%0.336CS..Hα-helixtrans-62.2-44.1175.700000111.9T100 P101 L102 S107 R108T100-A104 PolarHBondContact O-N 3.05Å; P101-A104 PolarHBondContact O-N 3.21Å; L102-A104 VanDerWaalsContact C-N 3.31Å; L102-A104 PolarHBondContact O-N 3.48Å; A104-S107 PolarHBondContact O-N 3.2Å; A104-S107 PolarHBondContact O-OG 3.42Å; A104-R108 WeakPolarHBondContact O-CG 3.25Å; A104-R108 PolarHBondContact O-N 3.29Å
105A94.9Very high93.6Very high0 Ų065.3 Ų65.30%035%0.346CS..Hα-helixtrans-62.4-44173.600000112.3A73 P101 L102 S107 R108 E109 Q110 C113 V114 L117A73-A105 HydrophobicContact CB-CB 4.07Å; P101-A105 PolarHBondContact O-N 2.92Å; L102-A105 PolarHBondContact O-N 3.36Å; A105-S107 VanDerWaalsContact C-N 3.34Å; A105-S107 PolarHBondContact O-N 3.18Å; A105-R108 CarbonylContact O-C 3.54Å; A105-R108 PolarHBondContact O-N 3.34Å; A105-E109 PolarHBondContact O-N 2.91Å; A105-E109 VanDerWaalsContact O-N 3.17Å; A105-Q110 HydrophobicContact CB-CB 4.31Å; A105-Q110 PolarHBondContact O-N 3.5Å; A105-C113 HydrophobicContact CB-CB 4.1Å; A105-V114 HydrophobicContact CB-CG2 3.68Å; A105-L117 HydrophobicContact CB-CD1 4.48Å
106A94.7Very high93.7Very high55 Ų5567.8 Ų67.846%0.45536%0.358SS..Hα-helixtrans-63-40.9178.600000111.7L102 D103 R108 E109 V114L102-A106 WeakPolarHBondContact O-CB 3.42Å; L102-A106 PolarHBondContact O-N 3.28Å; D103-A106 PolarHBondContact O-N 3.18Å; A106-R108 PolarHBondContact O-N 2.89Å; A106-E109 PolarHBondContact O-N 3.36Å; A106-E109 VanDerWaalsContact O-N 3.15Å; A106-V114 HydrophobicContact CB-CG2 4.26Å
107S93.6Very high94Very high73 Ų7366.2 Ų66.251%0.5135%0.35SS..Hα-helixtrans-63.4-20.7177.678.80000114D103 A104 A105D103-S107 WeakPolarHBondContact O-CB 3.41Å; D103-S107 PolarHBondContact O-N 2.92Å; A104-S107 PolarHBondContact O-N 3.2Å; A104-S107 PolarHBondContact O-OG 3.42Å; A105-S107 VanDerWaalsContact C-N 3.34Å; A105-S107 PolarHBondContact O-N 3.18Å
108R92.3Very high94.3Very high165 Ų16564.1 Ų64.162%0.62334%0.339SS*.THydrogen-bonded Turntrans-109.59.8-179.3-61.8-64.1-171.7167.72.4112.8S74 A104 A105 A106 Q110S74-R108 WeakPolarHBondContact O-CB 3.24Å; S74-R108 WeakPolarHBondContact O-CG 3.31Å; A104-R108 WeakPolarHBondContact O-CG 3.25Å; A104-R108 PolarHBondContact O-N 3.29Å; A105-R108 CarbonylContact O-C 3.54Å; A105-R108 PolarHBondContact O-N 3.34Å; A106-R108 PolarHBondContact O-N 2.89Å; R108-Q110 HydrophobicContact CB-CG 3.94Å; R108-Q110 PolarHBondContact O-N 3.47Å; R108-Q110 PolarHBondContact O-NE2 2.88Å
109E93.1Very high94.4Very high161 Ų16166.4 Ų66.475%0.75234%0.344SS*.THydrogen-bonded Turntrans57.632.6178.6-59.1175.4-152.500113.7A105 A106 N111A105-E109 PolarHBondContact O-N 2.91Å; A105-E109 VanDerWaalsContact O-N 3.17Å; A106-E109 PolarHBondContact O-N 3.36Å; A106-E109 VanDerWaalsContact O-N 3.15Å; E109-N111 PolarHBondContact O-N 3.1Å; E109-N111 VanDerWaalsContact O-N 3.11Å
110Q95.1Very high94.4Very high66 Ų6663.5 Ų63.531%0.30833%0.334SS..  trans-87.472.6-178.7-58.3-57-33.600111.6G76 A105 R108 E112 C113 V114G76-Q110 VanDerWaalsContact CA-OE1 3.25Å; A105-Q110 HydrophobicContact CB-CB 4.31Å; A105-Q110 PolarHBondContact O-N 3.5Å; R108-Q110 HydrophobicContact CB-CG 3.94Å; R108-Q110 PolarHBondContact O-N 3.47Å; R108-Q110 PolarHBondContact O-NE2 2.88Å; Q110-E112 VanDerWaalsContact C-N 3.31Å; Q110-E112 PolarHBondContact O-N 2.97Å; Q110-C113 HydrophobicContact CB-CB 4.12Å; Q110-C113 PolarHBondContact O-N 3.16Å; Q110-C113 VanDerWaalsContact O-N 3.09Å; Q110-V114 WeakPolarHBondContact O-CG2 3.43Å; Q110-V114 PolarHBondContact O-N 3.04Å
111N93.3Very high94.3Very high127 Ų12762.8 Ų62.868%0.67933%0.331SS*.Hα-helixtrans-54.5-40.3-171.4-64.2-28.9000114.4E109 V114 A115E109-N111 PolarHBondContact O-N 3.1Å; E109-N111 VanDerWaalsContact O-N 3.11Å; N111-V114 PolarHBondContact O-N 2.97Å; N111-A115 PolarHBondContact O-N 3.32Å
112E94.1Very high94.3Very high130 Ų13066 Ų6661%0.60735%0.351SS*.Hα-helixtrans-65-43.2179.2-170.9178.2-178.400111.7A78 Q110 A115 L116A78-E112 HydrophobicContact CB-CG 3.92Å; Q110-E112 VanDerWaalsContact C-N 3.31Å; Q110-E112 PolarHBondContact O-N 2.97Å; E112-A115 PolarHBondContact O-N 3.17Å; E112-L116 HydrophobicContact CG-CD1 4.43Å; E112-L116 WeakPolarHBondContact O-CG 3.33Å; E112-L116 PolarHBondContact O-N 3.26Å
113C94Very high94.1Very high1 Ų165.8 Ų65.81%0.00736%0.356CS..Hα-helixtrans-66.1-39.2176.5-69.40000111.7A105 Q110 L116 L117A105-C113 HydrophobicContact CB-CB 4.1Å; Q110-C113 HydrophobicContact CB-CB 4.12Å; Q110-C113 PolarHBondContact O-N 3.16Å; Q110-C113 VanDerWaalsContact O-N 3.09Å; C113-L116 PolarHBondContact O-N 2.96Å; C113-L117 WeakPolarHBondContact O-CB 3.29Å; C113-L117 VanDerWaalsContact O-CG 3.26Å; C113-L117 WeakPolarHBondContact O-CG 3.4Å; C113-L117 PolarHBondContact O-N 3.17Å
114V95.8Very high94Very high40 Ų4064.2 Ų64.224%0.24235%0.347CS..Hα-helixtrans-59.4-50.3175.1171.80000110.5L102 A105 A106 Q110 N111 L116 L117 D118L102-V114 HydrophobicContact CD1-CB 4.21Å; L102-V114 HydrophobicContact CD1-CG1 3.84Å; L102-V114 HydrophobicContact CD1-CG2 4.42Å; A105-V114 HydrophobicContact CB-CG2 3.68Å; A106-V114 HydrophobicContact CB-CG2 4.26Å; Q110-V114 WeakPolarHBondContact O-CG2 3.43Å; Q110-V114 PolarHBondContact O-N 3.04Å; N111-V114 PolarHBondContact O-N 2.97Å; V114-L116 VanDerWaalsContact C-N 3.35Å; V114-L116 PolarHBondContact O-N 2.96Å; V114-L117 PolarHBondContact O-N 3.18Å; V114-D118 WeakPolarHBondContact O-CB 3.41Å; V114-D118 PolarHBondContact O-N 2.99Å
115A95.3Very high93.9Very high45 Ų4567.9 Ų67.937%0.37237%0.365SS..Hα-helixtrans-61.9-41179.700000112.4N111 E112 K119N111-A115 PolarHBondContact O-N 3.32Å; E112-A115 PolarHBondContact O-N 3.17Å; A115-K119 WeakPolarHBondContact O-CB 3.36Å; A115-K119 WeakPolarHBondContact O-CG 3.5Å; A115-K119 PolarHBondContact O-N 3.33Å
116L95.4Very high93.8Very high59 Ų5974.9 Ų74.931%0.30940%0.401SS..Hα-helixtrans-64.9-45176.9-73.7172.8000112.3A78 E112 C113 V114 A120A78-L116 HydrophobicContact CB-CD1 3.86Å; E112-L116 HydrophobicContact CG-CD1 4.43Å; E112-L116 WeakPolarHBondContact O-CG 3.33Å; E112-L116 PolarHBondContact O-N 3.26Å; C113-L116 PolarHBondContact O-N 2.96Å; V114-L116 VanDerWaalsContact C-N 3.35Å; V114-L116 PolarHBondContact O-N 2.96Å; L116-A120 VanDerWaalsContact O-CB 3.3Å; L116-A120 WeakPolarHBondContact O-CB 3.45Å; L116-A120 PolarHBondContact O-N 2.96Å
117L94.8Very high93.6Very high1 Ų179.8 Ų79.81%0.00542%0.416CS..Hα-helixtrans-68.2-38.4-179.8-73.6169.9000112L69 A73 V81 V85 I91 P101 L102 A105 C113 V114 A120 A121L69-L117 HydrophobicContact CD1-CD2 4.2Å; L69-L117 HydrophobicContact CD2-CD2 4.1Å; L69-L117 HydrophobicContact CG-CD2 4.29Å; A73-L117 HydrophobicContact CB-CD1 3.88Å; V81-L117 HydrophobicContact CG1-CD1 4.48Å; V81-L117 HydrophobicContact CG1-CD2 3.76Å; V81-L117 HydrophobicContact CG1-CG 3.85Å; V85-L117 HydrophobicContact CG2-CD2 4.17Å; I91-L117 HydrophobicContact CG2-CD2 4.02Å; P101-L117 HydrophobicContact CB-CD1 4.27Å; L102-L117 HydrophobicContact CB-CD1 4.49Å; L102-L117 HydrophobicContact CD1-CB 3.88Å; A105-L117 HydrophobicContact CB-CD1 4.48Å; C113-L117 WeakPolarHBondContact O-CB 3.29Å; C113-L117 VanDerWaalsContact O-CG 3.26Å; C113-L117 WeakPolarHBondContact O-CG 3.4Å; C113-L117 PolarHBondContact O-N 3.17Å; V114-L117 PolarHBondContact O-N 3.18Å; L117-A120 PolarHBondContact O-N 3.03Å; L117-A121 VanDerWaalsContact O-CB 3.28Å; L117-A121 WeakPolarHBondContact O-CB 3.17Å; L117-A121 PolarHBondContact O-N 3.38Å
118D95.1Very high93.5Very high84 Ų8479.9 Ų79.945%0.44941%0.411SS..Hα-helixtrans-68.2-45.2177.6-171.253.2000111.9V114 A120 A121 T122V114-D118 WeakPolarHBondContact O-CB 3.41Å; V114-D118 PolarHBondContact O-N 2.99Å; D118-A120 VanDerWaalsContact C-N 3.28Å; D118-A120 PolarHBondContact O-N 3.27Å; D118-A121 PolarHBondContact O-N 3.28Å; D118-T122 WeakPolarHBondContact O-CG2 3.47Å; D118-T122 PolarHBondContact O-N 3.33Å; D118-T122 PolarHBondContact O-OG1 2.64Å
119K94.8Very high93.5Very high147 Ų14775.5 Ų75.564%0.63940%0.404SS*.Hα-helixtrans-56.5-42.6171-74175.5-177-176.50111.7A115 T122 A123A115-K119 WeakPolarHBondContact O-CB 3.36Å; A115-K119 WeakPolarHBondContact O-CG 3.5Å; A115-K119 PolarHBondContact O-N 3.33Å; K119-T122 WeakPolarHBondContact CA-OG1 3.4Å; K119-T122 PolarHBondContact O-OG1 3.15Å; K119-A123 VanDerWaalsContact O-CB 3.24Å; K119-A123 WeakPolarHBondContact O-CB 3.44Å; K119-A123 PolarHBondContact O-N 2.91Å
120A93.9Very high93.5Very high16 Ų1676.1 Ų76.113%0.13240%0.404CS..Hα-helixtrans-68.9-39.7177.900000112.7V85 I91 L116 L117 D118 Q124V85-A120 HydrophobicContact CG1-CB 3.59Å; V85-A120 HydrophobicContact CG2-CB 4.38Å; I91-A120 HydrophobicContact CD1-CB 3.7Å; L116-A120 VanDerWaalsContact O-CB 3.3Å; L116-A120 WeakPolarHBondContact O-CB 3.45Å; L116-A120 PolarHBondContact O-N 2.96Å; L117-A120 PolarHBondContact O-N 3.03Å; D118-A120 VanDerWaalsContact C-N 3.28Å; D118-A120 PolarHBondContact O-N 3.27Å; A120-Q124 WeakPolarHBondContact O-CG 3.28Å; A120-Q124 PolarHBondContact O-N 3.02Å
121A93.2Very high93.3Very high16 Ų1678.9 Ų78.913%0.13242%0.415CS..Hα-helixtrans-67.1-44.6179.300000111.9F92 L117 D118 Q124 N125F92-A121 HydrophobicContact CE1-CB 4.14Å; F92-A121 HydrophobicContact CZ-CB 4.2Å; L117-A121 VanDerWaalsContact O-CB 3.28Å; L117-A121 WeakPolarHBondContact O-CB 3.17Å; L117-A121 PolarHBondContact O-N 3.38Å; D118-A121 PolarHBondContact O-N 3.28Å; A121-Q124 PolarHBondContact O-N 3.37Å; A121-N125 WeakPolarHBondContact O-CB 3.33Å; A121-N125 PolarHBondContact O-N 2.89Å
122T92.9Very high93.2Very high67 Ų6773.1 Ų73.141%0.41138%0.384SS..Hα-helixtrans-63.1-45.2175.252.30000111.1D118 K119 Q124 N125 I126D118-T122 WeakPolarHBondContact O-CG2 3.47Å; D118-T122 PolarHBondContact O-N 3.33Å; D118-T122 PolarHBondContact O-OG1 2.64Å; K119-T122 WeakPolarHBondContact CA-OG1 3.4Å; K119-T122 PolarHBondContact O-OG1 3.15Å; T122-Q124 PolarHBondContact O-N 3.45Å; T122-N125 WeakPolarHBondContact O-CB 3.05Å; T122-N125 PolarHBondContact O-N 3.25Å; T122-N125 VanDerWaalsContact O-N 3.16Å; T122-I126 WeakPolarHBondContact O-CG1 3.37Å; T122-I126 PolarHBondContact O-N 2.91Å
123A92.7Very high93.2Very high45 Ų4571.4 Ų71.437%0.37238%0.383SS..Hα-helixtrans-58-46.9174.500000112.3K119 N125 I126 M127K119-A123 VanDerWaalsContact O-CB 3.24Å; K119-A123 WeakPolarHBondContact O-CB 3.44Å; K119-A123 PolarHBondContact O-N 2.91Å; A123-N125 VanDerWaalsContact C-N 3.29Å; A123-N125 PolarHBondContact O-N 2.82Å; A123-I126 PolarHBondContact O-N 2.93Å; A123-M127 WeakPolarHBondContact O-CB 3.47Å; A123-M127 VanDerWaalsContact O-CG 3.26Å; A123-M127 WeakPolarHBondContact O-CG 3.35Å; A123-M127 PolarHBondContact O-N 3.37Å
124Q90.9Very high93.1Very high42 Ų4280.5 Ų80.520%0.19642%0.417CS..Hα-helixtrans-63.5-35.2176.9-74.5-161.315.800112.8I91 A120 A121 T122 N128 V132I91-Q124 HydrophobicContact CD1-CG 4.33Å; I91-Q124 VanDerWaalsContact CD1-NE2 3.26Å; A120-Q124 WeakPolarHBondContact O-CG 3.28Å; A120-Q124 PolarHBondContact O-N 3.02Å; A121-Q124 PolarHBondContact O-N 3.37Å; T122-Q124 PolarHBondContact O-N 3.45Å; Q124-N128 PolarHBondContact O-N 3.01Å; Q124-V132 HydrophobicContact CB-CG2 4.08Å
125N91.5Very high92.9Very high86 Ų8680.6 Ų80.646%0.4642%0.416SS..Hα-helixtrans-68.5-41.9177.8-165.835.1000112.1A121 T122 A123 P129A121-N125 WeakPolarHBondContact O-CB 3.33Å; A121-N125 PolarHBondContact O-N 2.89Å; T122-N125 WeakPolarHBondContact O-CB 3.05Å; T122-N125 PolarHBondContact O-N 3.25Å; T122-N125 VanDerWaalsContact O-N 3.16Å; A123-N125 VanDerWaalsContact C-N 3.29Å; A123-N125 PolarHBondContact O-N 2.82Å; N125-P129 WeakPolarHBondContact O-CD 3.25Å
126I93Very high92.8Very high146 Ų14683.7 Ų83.775%0.74942%0.421SS*.Hα-helixtrans-64.5-45.3175.1-66.2165.3000110.4T122 A123T122-I126 WeakPolarHBondContact O-CG1 3.37Å; T122-I126 PolarHBondContact O-N 2.91Å; A123-I126 PolarHBondContact O-N 2.93Å
127M91.1Very high92.7Very high159 Ų15987.1 Ų87.178%0.78344%0.435SS*.Hα-helixtrans-64.9-46.2-178.9-72.4-176.378.500112.8A123A123-M127 WeakPolarHBondContact O-CB 3.47Å; A123-M127 VanDerWaalsContact O-CG 3.26Å; A123-M127 WeakPolarHBondContact O-CG 3.35Å; A123-M127 PolarHBondContact O-N 3.37Å
128N91.5Very high92.6Very high75 Ų7590.9 Ų90.940%0.40145%0.453SS..  trans-156.791.9-179.2-158-56.7000113.5Q124 K130 K131 V132Q124-N128 PolarHBondContact O-N 3.01Å; N128-K130 VanDerWaalsContact C-N 3.3Å; N128-K130 PolarHBondContact O-N 2.99Å; N128-K130 PolarHBondContact OD1-N 3.34Å; N128-K131 HydrophobicContact CB-CB 3.85Å; N128-K131 PolarHBondContact O-N 3.32Å; N128-K131 WeakPolarHBondContact OD1-CB 3.3Å; N128-K131 PolarHBondContact OD1-N 3.41Å; N128-V132 PolarHBondContact O-N 3.24Å; N128-V132 VanDerWaalsContact O-N 3.16Å
129P92.3Very high92.5Very high72 Ų7287 Ų8747%0.46843%0.433SS..Hα-helixtrans-65.7-33.2-176.924.4-33.3000112.3N125 K131 V132 T133N125-P129 WeakPolarHBondContact O-CD 3.25Å; P129-K131 PolarHBondContact O-N 3.44Å; P129-V132 PolarHBondContact O-N 3.15Å; P129-T133 PolarHBondContact O-N 3.38Å; P129-T133 PolarHBondContact O-OG1 3.2Å; P129-T133 VanDerWaalsContact O-OG1 3.04Å
130K92.4Very high92.4Very high175 Ų17584.2 Ų84.276%0.76142%0.422SS*.Hα-helixtrans-65.4-40177.8-65.5-178.6-178.9175.40112N128 V132 T133 R134N128-K130 VanDerWaalsContact C-N 3.3Å; N128-K130 PolarHBondContact O-N 2.99Å; N128-K130 PolarHBondContact OD1-N 3.34Å; K130-V132 VanDerWaalsContact C-N 3.34Å; K130-T133 PolarHBondContact O-N 3.24Å; K130-R134 PolarHBondContact O-N 2.68Å; K130-R134 VanDerWaalsContact O-N 3.11Å
131K91.1Very high92.3Very high124 Ų12488.5 Ų88.554%0.53944%0.437SS..Hα-helixtrans-63.3-43.8175-174.1-176.9175.3-170.60110.1N128 P129 R134 L135N128-K131 HydrophobicContact CB-CB 3.85Å; N128-K131 PolarHBondContact O-N 3.32Å; N128-K131 WeakPolarHBondContact OD1-CB 3.3Å; N128-K131 PolarHBondContact OD1-N 3.41Å; P129-K131 PolarHBondContact O-N 3.44Å; K131-R134 PolarHBondContact O-N 3.01Å; K131-L135 HydrophobicContact CG-CD1 4.21Å; K131-L135 HydrophobicContact CG-CG 4.45Å; K131-L135 WeakPolarHBondContact O-CG 3.42Å; K131-L135 PolarHBondContact O-N 3.36Å
132V92Very high92.2Very high5 Ų590.5 Ų90.53%0.0345%0.446CS..Hα-helixtrans-60-46.9176.8172.20000111.6F92 Q124 N128 P129 K130 R134 L135 K136F92-V132 HydrophobicContact CD2-CG1 4.3Å; F92-V132 HydrophobicContact CE1-CG1 4.3Å; F92-V132 HydrophobicContact CE2-CB 4.29Å; F92-V132 HydrophobicContact CE2-CG1 3.68Å; F92-V132 HydrophobicContact CE2-CG2 3.96Å; F92-V132 HydrophobicContact CZ-CG1 3.67Å; F92-V132 HydrophobicContact CZ-CG2 4.26Å; Q124-V132 HydrophobicContact CB-CG2 4.08Å; N128-V132 PolarHBondContact O-N 3.24Å; N128-V132 VanDerWaalsContact O-N 3.16Å; P129-V132 PolarHBondContact O-N 3.15Å; K130-V132 VanDerWaalsContact C-N 3.34Å; V132-R134 VanDerWaalsContact C-N 3.29Å; V132-R134 PolarHBondContact O-N 3.02Å; V132-L135 PolarHBondContact O-N 3Å; V132-K136 HydrophobicContact CG1-CD 4.13Å; V132-K136 HydrophobicContact CG1-CG 4.43Å; V132-K136 WeakPolarHBondContact O-CG 3.41Å; V132-K136 PolarHBondContact O-N 2.88Å
133T92.7Very high92Very high94 Ų9487.3 Ų87.358%0.57743%0.426SS*.Hα-helixtrans-57.2-43.5175.6-48.20000111.7P129 K130 K136 E137P129-T133 PolarHBondContact O-N 3.38Å; P129-T133 PolarHBondContact O-OG1 3.2Å; P129-T133 VanDerWaalsContact O-OG1 3.04Å; K130-T133 PolarHBondContact O-N 3.24Å; T133-K136 PolarHBondContact O-N 3.37Å; T133-E137 WeakPolarHBondContact O-CB 3.42Å; T133-E137 PolarHBondContact O-N 3.43Å
134R93.2Very high91.9Very high192 Ų19292.6 Ų92.673%0.72544%0.437SS*.Hα-helixtrans-65.6-39.2177.7-176.2179173-179.5-2.6112.5K130 K131 V132 E137 Q138K130-R134 PolarHBondContact O-N 2.68Å; K130-R134 VanDerWaalsContact O-N 3.11Å; K131-R134 PolarHBondContact O-N 3.01Å; V132-R134 VanDerWaalsContact C-N 3.29Å; V132-R134 PolarHBondContact O-N 3.02Å; R134-E137 PolarHBondContact O-N 3.11Å; R134-Q138 VanDerWaalsContact O-CB 3.3Å; R134-Q138 WeakPolarHBondContact O-CB 3.44Å; R134-Q138 PolarHBondContact O-N 3.28Å
135L92Very high91.9Very high42 Ų4297 Ų9722%0.2245%0.451CS..Hα-helixtrans-65.4-43.1176.2-73.1173.5000111.3F92 K131 V132 Q138 A139F92-L135 HydrophobicContact CD2-CB 4.21Å; F92-L135 HydrophobicContact CD2-CD1 4.48Å; K131-L135 HydrophobicContact CG-CD1 4.21Å; K131-L135 HydrophobicContact CG-CG 4.45Å; K131-L135 WeakPolarHBondContact O-CG 3.42Å; K131-L135 PolarHBondContact O-N 3.36Å; V132-L135 PolarHBondContact O-N 3Å; L135-Q138 PolarHBondContact O-N 3.4Å; L135-A139 WeakPolarHBondContact O-CB 3.36Å; L135-A139 PolarHBondContact O-N 3.39Å
136K92.4Very high91.7Very high111 Ų11194.9 Ų94.948%0.48344%0.439SS..Hα-helixtrans-61.5-45174.4-71.8-178.8176.2-1730112F92 V132 T133 Q138 A139 Q140F92-K136 HydrophobicContact CB-CG 3.86Å; F92-K136 HydrophobicContact CD1-CD 4.46Å; F92-K136 VanDerWaalsContact CD1-CE 3.44Å; F92-K136 HydrophobicContact CD1-CG 4.16Å; F92-K136 HydrophobicContact CD2-CG 4.41Å; F92-K136 HydrophobicContact CG-CG 3.87Å; V132-K136 HydrophobicContact CG1-CD 4.13Å; V132-K136 HydrophobicContact CG1-CG 4.43Å; V132-K136 WeakPolarHBondContact O-CG 3.41Å; V132-K136 PolarHBondContact O-N 2.88Å; T133-K136 PolarHBondContact O-N 3.37Å; K136-Q138 VanDerWaalsContact C-N 3.35Å; K136-Q138 PolarHBondContact O-N 3.47Å; K136-A139 PolarHBondContact O-N 3.15Å; K136-Q140 WeakPolarHBondContact O-CB 3.5Å; K136-Q140 PolarHBondContact O-N 2.94Å
137E93.4Very high91.5Very high130 Ų13090.1 Ų90.161%0.60742%0.415SS*.Hα-helixtrans-62.9-42175.6-171.8-173.917500111.6T133 R134 Q140 K141T133-E137 WeakPolarHBondContact O-CB 3.42Å; T133-E137 PolarHBondContact O-N 3.43Å; R134-E137 PolarHBondContact O-N 3.11Å; E137-Q140 PolarHBondContact O-N 3Å; E137-K141 WeakPolarHBondContact O-CB 3.37Å; E137-K141 PolarHBondContact O-N 3.07Å
138Q92.7Very high91.5Very high81 Ų8189.6 Ų89.638%0.37941%0.408SS..Hα-helixtrans-64.7-42.3177.4-176.361.443.100111.7R134 L135 K136 K141 N142R134-Q138 VanDerWaalsContact O-CB 3.3Å; R134-Q138 WeakPolarHBondContact O-CB 3.44Å; R134-Q138 PolarHBondContact O-N 3.28Å; L135-Q138 PolarHBondContact O-N 3.4Å; K136-Q138 VanDerWaalsContact C-N 3.35Å; K136-Q138 PolarHBondContact O-N 3.47Å; Q138-K141 PolarHBondContact O-N 3.09Å; Q138-N142 PolarHBondContact NE2-OD1 3.04Å; Q138-N142 WeakPolarHBondContact O-CB 3.35Å; Q138-N142 PolarHBondContact O-N 2.96Å
139A91.7Very high91.3Very high3 Ų391.7 Ų91.73%0.02542%0.415CS..Hα-helixtrans-60.9-47.517500000111.3F92 L94 L135 K136 K141 N142 A143F92-A139 WeakPolarHBondContact O-CB 3.27Å; L94-A139 HydrophobicContact CG-CB 4.27Å; L135-A139 WeakPolarHBondContact O-CB 3.36Å; L135-A139 PolarHBondContact O-N 3.39Å; K136-A139 PolarHBondContact O-N 3.15Å; A139-K141 VanDerWaalsContact C-N 3.3Å; A139-K141 PolarHBondContact O-N 2.73Å; A139-N142 PolarHBondContact O-N 3.19Å; A139-N142 VanDerWaalsContact O-N 3.11Å; A139-A143 PolarHBondContact O-N 3.06Å
140Q93.3Very high90.9Very high87 Ų8790.7 Ų90.741%0.40741%0.409SS..Hα-helixtrans-60.1-40.4176.5-168-178.934.100112.2L94 K136 E137 R144L94-Q140 HydrophobicContact CD1-CB 4.39Å; K136-Q140 WeakPolarHBondContact O-CB 3.5Å; K136-Q140 PolarHBondContact O-N 2.94Å; E137-Q140 PolarHBondContact O-N 3Å; Q140-R144 WeakPolarHBondContact O-CB 3.34Å; Q140-R144 WeakPolarHBondContact O-CG 3.47Å; Q140-R144 PolarHBondContact O-N 3.31Å
141K92.1Very high90.7Very high106 Ų10687.8 Ų87.846%0.46140%0.398SS..Hα-helixtrans-67-37.4176.4-171177.7-173.7175.70112.3E137 Q138 A139 R145E137-K141 WeakPolarHBondContact O-CB 3.37Å; E137-K141 PolarHBondContact O-N 3.07Å; Q138-K141 PolarHBondContact O-N 3.09Å; A139-K141 VanDerWaalsContact C-N 3.3Å; A139-K141 PolarHBondContact O-N 2.73Å; K141-R145 WeakPolarHBondContact O-CD 3.05Å; K141-R145 VanDerWaalsContact O-CG 3.25Å; K141-R145 WeakPolarHBondContact O-CG 3.42Å; K141-R145 PolarHBondContact O-N 3.13Å
142N90.4Very high90.6Very high58 Ų5887.5 Ų87.531%0.3139%0.394SS..Hα-helixtrans-67.6-49.7177-73.3-10.4000110.9Q138 A139 R144 R145 Q146Q138-N142 PolarHBondContact NE2-OD1 3.04Å; Q138-N142 WeakPolarHBondContact O-CB 3.35Å; Q138-N142 PolarHBondContact O-N 2.96Å; A139-N142 PolarHBondContact O-N 3.19Å; A139-N142 VanDerWaalsContact O-N 3.11Å; N142-R144 PolarHBondContact O-N 2.79Å; N142-R145 WeakPolarHBondContact O-CB 3.4Å; N142-R145 PolarHBondContact O-N 3.43Å; N142-Q146 WeakPolarHBondContact O-CG 3.49Å; N142-Q146 PolarHBondContact O-N 2.94Å
143A89.8Confident90.3Very high0 Ų092.2 Ų92.20%042%0.418CS..Hα-helixtrans-58.4-46.1176.100000111.9L94 L98 A139 R145 Q146 I147L94-A143 HydrophobicContact CB-CB 3.91Å; L98-A143 HydrophobicContact CD2-CB 4.03Å; A139-A143 PolarHBondContact O-N 3.06Å; A143-R145 PolarHBondContact O-N 2.87Å; A143-Q146 PolarHBondContact O-N 3.33Å; A143-Q146 VanDerWaalsContact O-N 3.09Å; A143-I147 VanDerWaalsContact O-CG1 3.3Å; A143-I147 WeakPolarHBondContact O-CG1 3.4Å; A143-I147 PolarHBondContact O-N 3.49Å
144R90.9Very high90Very high156 Ų15693.3 Ų93.359%0.58942%0.417SS*.Hα-helixtrans-57.6-34.8174.7-75.3175.8-176.1-172.26.2113.4Q140 N142 K148Q140-R144 WeakPolarHBondContact O-CB 3.34Å; Q140-R144 WeakPolarHBondContact O-CG 3.47Å; Q140-R144 PolarHBondContact O-N 3.31Å; N142-R144 PolarHBondContact O-N 2.79Å; R144-K148 VanDerWaalsContact O-CB 3.28Å; R144-K148 WeakPolarHBondContact O-CB 3.3Å; R144-K148 PolarHBondContact O-N 3.03Å
145R90.6Very high89.8Confident134 Ų13489.5 Ų89.551%0.50641%0.408SS..Hα-helixtrans-71.2-43.8176.4-75166.4172.8-178.4-7.5110.9K141 N142 A143 K148 E149K141-R145 WeakPolarHBondContact O-CD 3.05Å; K141-R145 VanDerWaalsContact O-CG 3.25Å; K141-R145 WeakPolarHBondContact O-CG 3.42Å; K141-R145 PolarHBondContact O-N 3.13Å; N142-R145 WeakPolarHBondContact O-CB 3.4Å; N142-R145 PolarHBondContact O-N 3.43Å; A143-R145 PolarHBondContact O-N 2.87Å; R145-K148 PolarHBondContact O-N 3.2Å; R145-E149 WeakPolarHBondContact O-CG 3.28Å; R145-E149 PolarHBondContact O-N 3.11Å
146Q86.8Confident89.7Confident43 Ų4392.5 Ų92.520%0.20142%0.419CS..Hα-helixtrans-62.9-51.2178.9-69.1163.12.300111.2C61 N96 N142 A143 K148 E149 C150C61-Q146 PolarHBondContact SG-NE2 2.99Å; N96-Q146 WeakPolarHBondContact OD1-CB 3.46Å; N142-Q146 WeakPolarHBondContact O-CG 3.49Å; N142-Q146 PolarHBondContact O-N 2.94Å; A143-Q146 PolarHBondContact O-N 3.33Å; A143-Q146 VanDerWaalsContact O-N 3.09Å; Q146-K148 VanDerWaalsContact C-N 3.29Å; Q146-K148 PolarHBondContact O-N 3.41Å; Q146-E149 WeakPolarHBondContact O-CA 3.46Å; Q146-E149 WeakPolarHBondContact O-CB 3.4Å; Q146-E149 PolarHBondContact O-N 2.8Å; Q146-C150 PolarHBondContact O-N 3.48Å
147I88.9Confident89.5Confident46 Ų4692.8 Ų92.824%0.23642%0.421CS..Hα-helixtrans-54-47.5176.3-65.9165000110.5N96 L98 A143 E149 C150 E151N96-I147 HydrophobicContact CB-CG1 4.36Å; N96-I147 WeakPolarHBondContact O-CD1 3.4Å; L98-I147 HydrophobicContact CD2-CD1 4.13Å; A143-I147 VanDerWaalsContact O-CG1 3.3Å; A143-I147 WeakPolarHBondContact O-CG1 3.4Å; A143-I147 PolarHBondContact O-N 3.49Å; I147-E149 VanDerWaalsContact C-N 3.3Å; I147-E149 PolarHBondContact O-N 3.11Å; I147-C150 WeakPolarHBondContact O-CB 3.44Å; I147-C150 PolarHBondContact O-N 3.17Å; I147-C150 VanDerWaalsContact O-N 3.16Å; I147-E151 HydrophobicContact CG2-CG 4.37Å; I147-E151 WeakPolarHBondContact O-CG 3.35Å; I147-E151 PolarHBondContact O-N 2.88Å
148K90.6Very high89.2Confident147 Ų14791.8 Ų91.864%0.63942%0.417SS*.Hα-helixtrans-62.6-34.9177.8-173.7173.9-175.6171.20113.1R144 R145 Q146 R152R144-K148 VanDerWaalsContact O-CB 3.28Å; R144-K148 WeakPolarHBondContact O-CB 3.3Å; R144-K148 PolarHBondContact O-N 3.03Å; R145-K148 PolarHBondContact O-N 3.2Å; Q146-K148 VanDerWaalsContact C-N 3.29Å; Q146-K148 PolarHBondContact O-N 3.41Å; K148-R152 VanDerWaalsContact O-CB 3.31Å; K148-R152 WeakPolarHBondContact O-CB 3.34Å; K148-R152 PolarHBondContact O-N 3.21Å
149E87.1Confident89.2Confident120 Ų12091.7 Ų91.756%0.56142%0.419SS*.Hα-helixtrans-69.4-41174.2-75.7-166.917100112R145 Q146 I147 R152 L153R145-E149 WeakPolarHBondContact O-CG 3.28Å; R145-E149 PolarHBondContact O-N 3.11Å; Q146-E149 WeakPolarHBondContact O-CA 3.46Å; Q146-E149 WeakPolarHBondContact O-CB 3.4Å; Q146-E149 PolarHBondContact O-N 2.8Å; I147-E149 VanDerWaalsContact C-N 3.3Å; I147-E149 PolarHBondContact O-N 3.11Å; E149-R152 PolarHBondContact O-N 2.91Å; E149-L153 WeakPolarHBondContact O-CG 3.45Å; E149-L153 PolarHBondContact O-N 3.4Å
150C84.3Confident89.1Confident51 Ų5198.5 Ų98.535%0.34545%0.448SS..Hα-helixtrans-62.2-47.9174.1-70.70000111.6Q146 I147 R152 L153 Q154Q146-C150 PolarHBondContact O-N 3.48Å; I147-C150 WeakPolarHBondContact O-CB 3.44Å; I147-C150 PolarHBondContact O-N 3.17Å; I147-C150 VanDerWaalsContact O-N 3.16Å; C150-R152 VanDerWaalsContact C-N 3.31Å; C150-R152 PolarHBondContact O-N 2.94Å; C150-L153 PolarHBondContact O-N 3.11Å; C150-L153 VanDerWaalsContact O-N 3.13Å; C150-Q154 WeakPolarHBondContact O-CB 3.39Å; C150-Q154 PolarHBondContact O-N 2.94Å
151E88.6Confident88.8Confident113 Ų11399.2 Ų99.253%0.52845%0.453SS..Hα-helixtrans-55.7-46173.9-74174.9170.800111.3I147 L153 Q154 E155I147-E151 HydrophobicContact CG2-CG 4.37Å; I147-E151 WeakPolarHBondContact O-CG 3.35Å; I147-E151 PolarHBondContact O-N 2.88Å; E151-L153 VanDerWaalsContact C-N 3.32Å; E151-L153 PolarHBondContact O-N 3.34Å; E151-Q154 PolarHBondContact O-N 3.35Å; E151-E155 WeakPolarHBondContact O-CB 3.16Å; E151-E155 PolarHBondContact O-N 3.5Å
152R90.1Very high88.6Confident119 Ų11996.9 Ų96.945%0.44945%0.453SS..Hα-helixtrans-63.7-37178.5-170.9-168.769.2135.7-2.9112.2K148 E149 C150 K156K148-R152 VanDerWaalsContact O-CB 3.31Å; K148-R152 WeakPolarHBondContact O-CB 3.34Å; K148-R152 PolarHBondContact O-N 3.21Å; E149-R152 PolarHBondContact O-N 2.91Å; C150-R152 VanDerWaalsContact C-N 3.31Å; C150-R152 PolarHBondContact O-N 2.94Å; R152-K156 VanDerWaalsContact CZ-NZ 3.33Å; R152-K156 VanDerWaalsContact NH1-NZ 3.14Å; R152-K156 WeakPolarHBondContact O-CB 3.47Å; R152-K156 VanDerWaalsContact O-CG 3.26Å; R152-K156 WeakPolarHBondContact O-CG 3.43Å; R152-K156 PolarHBondContact O-N 3.28Å
153L85.5Confident88.4Confident103 Ų103103.5 Ų103.554%0.53947%0.474SS..Hα-helixtrans-69.1-42.4176.1-75.1170.8000110.9E149 C150 E151 K156 H157E149-L153 WeakPolarHBondContact O-CG 3.45Å; E149-L153 PolarHBondContact O-N 3.4Å; C150-L153 PolarHBondContact O-N 3.11Å; C150-L153 VanDerWaalsContact O-N 3.13Å; E151-L153 VanDerWaalsContact C-N 3.32Å; E151-L153 PolarHBondContact O-N 3.34Å; L153-K156 PolarHBondContact O-N 3.24Å; L153-H157 PolarHBondContact O-N 2.98Å
154Q85.1Confident88Confident118 Ų118106.4 Ų106.455%0.55149%0.492SS*.Hα-helixtrans-61.6-45.8175.5-168.1-178.723.200111.4C150 E151 K156 H157 Q158C150-Q154 WeakPolarHBondContact O-CB 3.39Å; C150-Q154 PolarHBondContact O-N 2.94Å; E151-Q154 PolarHBondContact O-N 3.35Å; Q154-K156 PolarHBondContact O-N 3.34Å; Q154-H157 WeakPolarHBondContact O-CB 3.39Å; Q154-H157 PolarHBondContact O-N 3.43Å; Q154-Q158 WeakPolarHBondContact O-CG 3.3Å; Q154-Q158 PolarHBondContact O-N 3.37Å
155E90.3Very high87.4Confident112 Ų112105.9 Ų105.952%0.52349%0.491SS..Hα-helixtrans-62-42.8177.2-167.2-162.5170.600111.4E151 H157 Q158 N159E151-E155 WeakPolarHBondContact O-CB 3.16Å; E151-E155 PolarHBondContact O-N 3.5Å; E155-H157 VanDerWaalsContact C-N 3.33Å; E155-H157 PolarHBondContact O-N 2.85Å; E155-Q158 PolarHBondContact O-N 3.22Å; E155-N159 VanDerWaalsContact O-CB 3.24Å; E155-N159 WeakPolarHBondContact O-CB 3.36Å; E155-N159 VanDerWaalsContact O-CG 3.25Å; E155-N159 PolarHBondContact O-N 2.86Å; E155-N159 PolarHBondContact O-ND2 3.01Å
156K89.8Confident86.5Confident105 Ų105102.9 Ų102.946%0.45749%0.49SS..Hα-helixtrans-61.4-41.6174.4-78.4175.6-176.9-178.90112.1R152 L153 Q154 K160R152-K156 VanDerWaalsContact CZ-NZ 3.33Å; R152-K156 VanDerWaalsContact NH1-NZ 3.14Å; R152-K156 WeakPolarHBondContact O-CB 3.47Å; R152-K156 VanDerWaalsContact O-CG 3.26Å; R152-K156 WeakPolarHBondContact O-CG 3.43Å; R152-K156 PolarHBondContact O-N 3.28Å; L153-K156 PolarHBondContact O-N 3.24Å; Q154-K156 PolarHBondContact O-N 3.34Å; K156-K160 WeakPolarHBondContact O-CB 3.34Å; K156-K160 PolarHBondContact O-N 3.16Å
157H87.2Confident85.9Confident116 Ų116108.3 Ų108.354%0.53751%0.513SS..Hα-helixtrans-64.7-49.6176.8-17976.6000110.7L153 Q154 E155 N159 K160 M161L153-H157 PolarHBondContact O-N 2.98Å; Q154-H157 WeakPolarHBondContact O-CB 3.39Å; Q154-H157 PolarHBondContact O-N 3.43Å; E155-H157 VanDerWaalsContact C-N 3.33Å; E155-H157 PolarHBondContact O-N 2.85Å; H157-N159 PolarHBondContact O-N 3.01Å; H157-K160 WeakPolarHBondContact O-CA 3.01Å; H157-K160 WeakPolarHBondContact O-CB 3.36Å; H157-K160 PolarHBondContact O-N 3.08Å; H157-M161 WeakPolarHBondContact O-CG 3.13Å; H157-M161 PolarHBondContact O-N 2.96Å
158Q88.5Confident84.7Confident109 Ų109112.5 Ų112.551%0.50953%0.532SS..Hα-helixtrans-57.7-45.9176-72.3177.15.300112Q154 E155 K160 M161 A162Q154-Q158 WeakPolarHBondContact O-CG 3.3Å; Q154-Q158 PolarHBondContact O-N 3.37Å; E155-Q158 PolarHBondContact O-N 3.22Å; Q158-K160 VanDerWaalsContact C-N 3.3Å; Q158-K160 PolarHBondContact O-N 3.29Å; Q158-M161 PolarHBondContact O-N 3.43Å; Q158-A162 WeakPolarHBondContact O-CB 3.43Å; Q158-A162 PolarHBondContact O-N 3.25Å
159N91.1Very high83.1Confident79 Ų79110.7 Ų110.742%0.42253%0.526SS..Hα-helixtrans-62.1-36.3175.6-78.5-34.4000112.3E155 H157 R163E155-N159 VanDerWaalsContact O-CB 3.24Å; E155-N159 WeakPolarHBondContact O-CB 3.36Å; E155-N159 VanDerWaalsContact O-CG 3.25Å; E155-N159 PolarHBondContact O-N 2.86Å; E155-N159 PolarHBondContact O-ND2 3.01Å; H157-N159 PolarHBondContact O-N 3.01Å; N159-R163 WeakPolarHBondContact O-CB 3.08Å; N159-R163 WeakPolarHBondContact O-CG 2.96Å; N159-R163 PolarHBondContact O-N 3.23Å
160K90.9Very high81.7Confident146 Ų146109.1 Ų109.164%0.63553%0.528SS*.Hα-helixtrans-65.9-44.8174.1-173.1-179.1178-174.40110.8K156 H157 Q158 R163 T164K156-K160 WeakPolarHBondContact O-CB 3.34Å; K156-K160 PolarHBondContact O-N 3.16Å; H157-K160 WeakPolarHBondContact O-CA 3.01Å; H157-K160 WeakPolarHBondContact O-CB 3.36Å; H157-K160 PolarHBondContact O-N 3.08Å; Q158-K160 VanDerWaalsContact C-N 3.3Å; Q158-K160 PolarHBondContact O-N 3.29Å; K160-R163 PolarHBondContact O-N 2.84Å; K160-T164 PolarHBondContact O-N 3.18Å; K160-T164 PolarHBondContact O-OG1 3.4Å
161M86.1Confident80.3Confident103 Ų103109.2 Ų109.251%0.50754%0.537SS..Hα-helixtrans-65-42.3177.5-63.6-58.3-82.300112H157 Q158 R163 T164 Y165H157-M161 WeakPolarHBondContact O-CG 3.13Å; H157-M161 PolarHBondContact O-N 2.96Å; Q158-M161 PolarHBondContact O-N 3.43Å; M161-R163 VanDerWaalsContact C-N 3.32Å; M161-R163 PolarHBondContact O-N 3.1Å; M161-T164 WeakPolarHBondContact CA-OG1 3.46Å; M161-T164 PolarHBondContact O-N 3.21Å; M161-T164 PolarHBondContact O-OG1 3.01Å; M161-Y165 VanDerWaalsContact O-CB 3.28Å; M161-Y165 WeakPolarHBondContact O-CB 3.39Å; M161-Y165 PolarHBondContact O-N 3.4Å
162A88Confident78.5Confident57 Ų57109.1 Ų109.147%0.47155%0.545SS..Hα-helixtrans-62.8-38.517500000111.7Q158 S166Q158-A162 WeakPolarHBondContact O-CB 3.43Å; Q158-A162 PolarHBondContact O-N 3.25Å; A162-S166 VanDerWaalsContact O-CB 3.22Å; A162-S166 WeakPolarHBondContact O-CB 3.49Å; A162-S166 PolarHBondContact O-N 2.98Å
163R87.1Confident76.5Confident196 Ų196111 Ų11174%0.7456%0.563SS**Hα-helixtrans-67.1-41.3174.6-77.7174.2179.7-172.11.2112.9N159 K160 M161 K167N159-R163 WeakPolarHBondContact O-CB 3.08Å; N159-R163 WeakPolarHBondContact O-CG 2.96Å; N159-R163 PolarHBondContact O-N 3.23Å; K160-R163 PolarHBondContact O-N 2.84Å; M161-R163 VanDerWaalsContact C-N 3.32Å; M161-R163 PolarHBondContact O-N 3.1Å; R163-K167 WeakPolarHBondContact O-CB 3.28Å; R163-K167 PolarHBondContact O-N 3.15Å
164T81.3Confident74.8Confident62 Ų62111.1 Ų111.138%0.3857%0.572SS.*Hα-helixtrans-67.3-43176.448.70000110.8K160 M161 K167 E168K160-T164 PolarHBondContact O-N 3.18Å; K160-T164 PolarHBondContact O-OG1 3.4Å; M161-T164 WeakPolarHBondContact CA-OG1 3.46Å; M161-T164 PolarHBondContact O-N 3.21Å; M161-T164 PolarHBondContact O-OG1 3.01Å; T164-K167 PolarHBondContact O-N 3.25Å; T164-E168 WeakPolarHBondContact O-CG 3.36Å; T164-E168 PolarHBondContact O-N 2.82Å
165Y77.8Confident73Confident144 Ų144111.3 Ų111.357%0.56559%0.587SS**Hα-helixtrans-62.3-49.1177.4-171.5-90.4000112.3M161 K167 E168 E169M161-Y165 VanDerWaalsContact O-CB 3.28Å; M161-Y165 WeakPolarHBondContact O-CB 3.39Å; M161-Y165 PolarHBondContact O-N 3.4Å; Y165-K167 VanDerWaalsContact C-N 3.28Å; Y165-K167 PolarHBondContact O-N 3.45Å; Y165-E168 PolarHBondContact O-N 3.44Å; Y165-E169 HydrophobicContact CD1-CG 4.48Å; Y165-E169 VanDerWaalsContact CE1-CD 3.45Å; Y165-E169 HydrophobicContact CE1-CG 4.04Å; Y165-E169 WeakPolarHBondContact CE1-OE1 3.39Å; Y165-E169 PolarHBondContact O-N 2.85Å; Y165-E169 PolarHBondContact OH-OE1 3.5Å
166S71.8Confident71Confident72 Ų72111.2 Ų111.250%0.50360%0.598SS.*Hα-helixtrans-59.8-36.4174.1165.30000112.8A162 S170A162-S166 VanDerWaalsContact O-CB 3.22Å; A162-S166 WeakPolarHBondContact O-CB 3.49Å; A162-S166 PolarHBondContact O-N 2.98Å; S166-S170 PolarHBondContact O-N 3.16Å; S166-S170 PolarHBondContact O-OG 2.64Å
167K74Confident69.1Low157 Ų157116.2 Ų116.268%0.68362%0.62SS**Hα-helixtrans-68.5-37.7177.2-171177.2-179.7-175.50111.7R163 T164 Y165 S170 G171R163-K167 WeakPolarHBondContact O-CB 3.28Å; R163-K167 PolarHBondContact O-N 3.15Å; T164-K167 PolarHBondContact O-N 3.25Å; Y165-K167 VanDerWaalsContact C-N 3.28Å; Y165-K167 PolarHBondContact O-N 3.45Å; K167-S170 PolarHBondContact O-N 3.31Å; K167-S170 PolarHBondContact O-OG 2.74Å; K167-G171 PolarHBondContact O-N 3.4Å
168E63.9Low66.8Low133 Ų133114 Ų11462%0.62163%0.628SS**Hα-helixtrans-70.1-38.6175.9-72.5174-171.300112.4T164 Y165 G171 T172T164-E168 WeakPolarHBondContact O-CG 3.36Å; T164-E168 PolarHBondContact O-N 2.82Å; Y165-E168 PolarHBondContact O-N 3.44Å; E168-G171 PolarHBondContact O-N 3.3Å; E168-T172 PolarHBondContact O-N 2.94Å; E168-T172 PolarHBondContact O-OG1 3.47Å
169E57.2Low64.8Low110 Ų110115 Ų11551%0.51464%0.642SS.*Hα-helixtrans-63.5-40.5171.2-79-17315800112.3Y165 G171 T172Y165-E169 HydrophobicContact CD1-CG 4.48Å; Y165-E169 VanDerWaalsContact CE1-CD 3.45Å; Y165-E169 HydrophobicContact CE1-CG 4.04Å; Y165-E169 WeakPolarHBondContact CE1-OE1 3.39Å; Y165-E169 PolarHBondContact O-N 2.85Å; Y165-E169 PolarHBondContact OH-OE1 3.5Å; E169-G171 VanDerWaalsContact C-N 3.31Å; E169-G171 PolarHBondContact O-N 3.24Å; E169-T172 PolarHBondContact O-OG1 3.03Å
170S57.9Low62.3Low86 Ų86120.6 Ų120.660%0.60166%0.663SS**Hα-helixtrans-72.4-23174.571.80000113.7S166 K167S166-S170 PolarHBondContact O-N 3.16Å; S166-S170 PolarHBondContact O-OG 2.64Å; K167-S170 PolarHBondContact O-N 3.31Å; K167-S170 PolarHBondContact O-OG 2.74Å
171G54.7Low60Low53 Ų53118.7 Ų118.755%0.54667%0.668SS.*Hα-helixtrans-84.3-12.7-17900000114.5K167 E168 E169K167-G171 PolarHBondContact O-N 3.4Å; E168-G171 PolarHBondContact O-N 3.3Å; E169-G171 VanDerWaalsContact C-N 3.31Å; E169-G171 PolarHBondContact O-N 3.24Å
172T50.3Low57.8Low111 Ų111124.8 Ų124.868%0.68169%0.685SS**THydrogen-bonded Turntrans-89.8-0.2-179.340.90000114.1E168 E169E168-T172 PolarHBondContact O-N 2.94Å; E168-T172 PolarHBondContact O-OG1 3.47Å; E169-T172 PolarHBondContact O-OG1 3.03Å
173L47.5Very low55.4Low160 Ų160127.1 Ų127.184%0.83870%0.698SS**THydrogen-bonded Turntrans-108.717176.8-66.6177.9000115.1
174S51.2Low53.2Low104 Ų104127.5 Ų127.573%0.72771%0.706SS**  trans-131.167.7170.5-148.40000112.5
175S46.8Very low51.4Low123 Ų123130.6 Ų130.686%0.8673%0.727SS**  trans-123.671.2157.3167.90000108.6
176S48.1Very low49.3Very low110 Ų110128.6 Ų128.677%0.76973%0.734SS**  trans-100.5123.4159.756.80000109.5
177K49.3Very low47.7Very low210 Ų210132.6 Ų132.691%0.91375%0.75SS**  trans-34.2127.5175.3-68165.7174.3172.60114
178G40.1Very low45.8Very low68 Ų68130.1 Ų130.170%0.70176%0.758SS**  trans-13981.1162.500000110.4F180G178-F180 PolarHBondContact O-N 3.11Å
179T46.3Very low44.3Very low131 Ų131129.4 Ų129.480%0.80477%0.768SS**  trans-63.3111.9164.231.60000109.6
180F37.4Very low43.3Very low196 Ų196128.7 Ų128.786%0.8678%0.781SS**  trans-138.9113.1151.1-75.4-71.2000110.1G178G178-F180 PolarHBondContact O-N 3.11Å
181S44.1Very low43.1Very low106 Ų106130.9 Ų130.974%0.74179%0.793SS**  trans-64.1138.6164.244.40000110.7
182R39.6Very low42.2Very low232 Ų232132.1 Ų132.188%0.87581%0.805SS**  trans-176.5107.9138.2-101.4166.9-128.7-172.50.3111.3
183S37.2Very low41.5Very low105 Ų105132.8 Ų132.873%0.73481%0.81SS**  trans28.3126.6136.556.30000120.4
184F40.1Very low40.8Very low205 Ų205134.7 Ų134.790%0.89981%0.811SS**  trans-41.5156.6152.4-66.6-85.4000113.6
185P44.4Very low39.8Very low127 Ų127133.3 Ų133.383%0.82581%0.814SS**  -137.3159.8102.136.1-23.3000114.8
186S34Very low39.3Very low102 Ų102132.1 Ų132.171%0.71381%0.805SS**  trans-84.7161.6170.543.20000112.8
187N37Very low38.7Very low156 Ų156134.7 Ų134.783%0.83481%0.81SS**  trans70.3120.1161.5-72.38.1000119.6
188A34.1Very low38.4Very low105 Ų105129 Ų12987%0.86880%0.797SS**  177.4156.99600000112.8
189S33.1Very low38.7Very low118 Ų118135.3 Ų135.383%0.82581%0.805SS**  trans-74.9147.3-168.1-49.20000117.3
190A36.7Very low38.1Very low94 Ų94132.3 Ų132.378%0.77780%0.8SS**  trans73.7172.3136.600000120
191P54Low38.4Very low133 Ų133131.4 Ų131.486%0.86480%0.802SS**  -120.4162.2-100.429.3-8.8000113.2
192G34.5Very low38.3Very low78 Ų78135.1 Ų135.180%0.80481%0.805SS**  trans-168.3127.2178.400000114.3
193T35.2Very low38Very low126 Ų126130.8 Ų130.877%0.77380%0.799SS**  trans-83.5160.1-173.2-26.70000112.4
194F33.2Very low38.1Very low199 Ų199130.6 Ų130.687%0.87379%0.793SS**  trans88.6117.4159.4-79-79.2000121.9
195G31.3Very low37.9Very low76 Ų76128.9 Ų128.978%0.78479%0.786SS**  trans67.5150.713500000118.1
196S34.8Very low37.7Very low97 Ų97132.8 Ų132.868%0.67879%0.79SS**  cis172.9136.7-1.7156.10000105.9
197L37.3Very low37.9Very low164 Ų164135 Ų13586%0.85979%0.792SS**  trans66.9140.6159.5-61.4162.2000116.9
198S42.5Very low37.8Very low91 Ų91136.2 Ų136.264%0.63679%0.79SS**  cis-176.6167.842.152.30000111.6
199K46Very low37.6Very low201 Ų201139.3 Ų139.387%0.87479%0.785SS**  trans81.2112.7164.3-56169.8-175.8173.70114.5
200G33.2Very low37.6Very low68 Ų68142.1 Ų142.170%0.70178%0.782SS**  cis111114.92300000109.1
201I44Very low37.4Very low177 Ų177146.1 Ų146.191%0.90878%0.782SS**  trans-169.5133.7140-90.2144.1000107.3
202K41.6Very low36.2Very low183 Ų183146.5 Ų146.580%0.79678%0.776SS**  trans-101.7153.1-171.9-58.3165.7177.7177.90108.7
203D34.4Very low36.1Very low141 Ų141151.4 Ų151.475%0.75478%0.775SS**  170.8111.4117.8-89.9-16.2000108.9
204T39.6Very low35.8Very low101 Ų101151.7 Ų151.762%0.6277%0.772SS**  43.1118.374.251.30000112.7
205F35Very low35.6Very low169 Ų169148.7 Ų148.774%0.74177%0.771SS**  -160.614262.5-87.8-88.5000113.8I207F205-I207 HydrophobicContact CD1-CD1 4.11Å; F205-I207 HydrophobicContact CD1-CG1 4.08Å
206K41.3Very low35.5Very low210 Ų210149.6 Ų149.691%0.91377%0.77SS**  trans-102.4137.6146.5-77.3-176.9175.6177.40107.1
207I36.4Very low35.2Very low148 Ų148153.5 Ų153.576%0.75978%0.778SS**  trans-133.3125161.2-61.5179.5000108.7F205F205-I207 HydrophobicContact CD1-CD1 4.11Å; F205-I207 HydrophobicContact CD1-CG1 4.08Å
208K36.2Very low35Very low181 Ų181153.3 Ų153.379%0.78777%0.773SS**  trans-114.1140.1158.2-76.9-168.5173.4-174.10106.8
209F29.3Very low34.2Very low171 Ų171155.5 Ų155.575%0.7578%0.782SS**  164.9138.3110.8-105.8-80.5000114.7
210K33.3Very low33.4Very low176 Ų176148.9 Ų148.977%0.76577%0.77SS**  trans59.3115.5140.3-100.6171.3176173.70123.3
211K31.7Very low33.2Very low179 Ų179154.3 Ų154.378%0.77878%0.775SS**  57.6116.2110.5-155.2-172.2-179.1175.70120.8
212N29.1Very low32.5Very low140 Ų140153.8 Ų153.875%0.74977%0.768SS**  171.1122.7124.3-81-15.4000107.6
213K32Very low31.9Very low181 Ų181148.4 Ų148.479%0.78777%0.765SS**  56.299.486.9-151.8-159.6170178.80114.1
214D29.7Very low31.7Very low132 Ų132153.6 Ų153.671%0.70677%0.774SS**  172.2148.5118.5-82.8-31.3000112.7
215T29.6Very low31.4Very low137 Ų137154.9 Ų154.984%0.8479%0.787SS**  trans-31.3142.9168.320.20000120.4
216A29Very low31.2Very low94 Ų94150 Ų15078%0.77779%0.785SS**  trans153.3105.8135.500000109.2
217E28.2Very low31.1Very low180 Ų180148.3 Ų148.384%0.84178%0.78SS**  66.7127.890.2-122.1-174.5-153.800116.3
218Q32.3Very low31.2Very low160 Ų160151.5 Ų151.575%0.74878%0.783SS**  trans97.1109.4153.4-66.9-165.1-1.500122.7
219V26.8Very low31Very low137 Ų137150.5 Ų150.583%0.8379%0.786SS**  76.7113.6116.7178.90000119.1
220G28.2Very low31.1Very low61 Ų61148.7 Ų148.763%0.62979%0.789SS**  114.2108.9111.500000118.4
221K30.4Very low31.1Very low183 Ų183149.5 Ų149.580%0.79680%0.797SS**  trans57.3149.2136.5-68.9-170.1168.2-165.90118.7
222E27.6Very low31.1Very low165 Ų165149.4 Ų149.477%0.77180%0.8SS**  cis-178.4156.3-4.4-110.1168.7-170.600104
223G29.7Very low31.3Very low71 Ų71148 Ų14873%0.73280%0.796SS**  trans115.188.4159.600000114.6
224R31.3Very low31.3Very low249 Ų249148.9 Ų148.994%0.9480%0.8SS**  74.2106.284.3-85.6-172.9161.9172.3-2.9115.6
225S32.5Very low31.3Very low128 Ų128152.9 Ų152.990%0.89581%0.806SS**  156.8131.2127.762.20000107.7
226G31.1Very low31.6Very low67 Ų67155.4 Ų155.469%0.69181%0.808SS**  cis166.9146.65.400000106.9
227Q39.3Very low31.7Very low175 Ų175158.4 Ų158.482%0.81881%0.806SS**  trans75.2101.6166.6-58.5-177.1-68.100117.5
228R38.1Very low31.9Very low215 Ų215158.1 Ų158.181%0.81181%0.805SS**  80.4106.169.8-76.7-175.3-167.1129.11.7113.7
229N32.1Very low31.8Very low159 Ų159158.2 Ų158.285%0.8581%0.805SS**  -175.4145.392.8-98-11.7000112.3
230V32Very low31.8Very low133 Ų133158.2 Ų158.281%0.80680%0.8SS**  trans-121.9146-172169.30000107.3
231M32Very low31.7Very low193 Ų193159.2 Ų159.295%0.95180%0.797SS**  trans-139.998.9160.4-166157.9179.400109.5
232E32.3Very low31.5Very low177 Ų177159.7 Ų159.783%0.82780%0.8SS**  trans-148.7111.7165.8-162.7175.8-148.900105.5
233V33.6Very low32.3Very low112 Ų112157.7 Ų157.768%0.67980%0.801SS**  trans-147.9116.9173.6-178.60000107
234F30.7Very low32.2Very low198 Ų198157.9 Ų157.987%0.86880%0.803SS**  176.4110.4118.2-89.7-67.3000109.9
235R31.3Very low32Very low217 Ų217152.8 Ų152.882%0.81979%0.794SS**  trans-151.1123.1153.7-178.2-173.3-67.9-101-1106.5
236E34.6Very low31.7Very low190 Ų190157 Ų15789%0.88880%0.797SS**  trans-136.8137.1162.8-75.9-174.8162.500108.2
237E31.3Very low31.7Very low157 Ų157162.3 Ų162.373%0.73480%0.801SS**  trans-110.3171.5166.2-73.3179.9172.200108.2
238E32.1Very low31.2Very low174 Ų174163.2 Ų163.281%0.81381%0.805SS**  trans84.1144.4169.6-59.5-176.9-176.600115.8
239E30.4Very low30.8Very low161 Ų161161.4 Ų161.475%0.75280%0.803SS**  cis-173163.8-20.3-116.1-177.6176.600105
240D26.5Very low30.6Very low137 Ų137162.2 Ų162.273%0.73381%0.807SS**  trans87.2105.1153.2-82-32.4000124.9
241S26.8Very low30.3Very low82 Ų82164.1 Ų164.157%0.57381%0.807SS**  78.6100.7111.1-69.60000123.2
242F26.1Very low30Very low193 Ų193163.4 Ų163.485%0.84681%0.806SS**  61.9168.5127.6-69.8-68.1000122.3
243P44.6Very low29.7Very low124 Ų124160.2 Ų160.281%0.80580%0.803SS**  cis-138.9177.9-37.436-17.5000114.5
244G27.8Very low29.4Very low74 Ų74158.9 Ų158.976%0.76380%0.804SS**  trans-171.792.6160.200000110.6
245D27.7Very low29.3Very low142 Ų142156.7 Ų156.776%0.75980%0.796SS**  77.798.887-14923.7000113.6
246F25.9Very low29.2Very low217 Ų217153.9 Ų153.995%0.95279%0.793SS**  trans-144.7130.5148.2-116.3-84.4000108.8
247K30.8Very low28.9Very low179 Ų179152 Ų15278%0.77879%0.789SS**  trans-125.6120.3-160.2-175.2-171.8-165.4175.40108
248E28.9Very low28.8Very low193 Ų193150.2 Ų150.290%0.90279%0.794SS**  trans-167.598.2155.5-111.9172-176.800106.6
249K29.3Very low29.1Very low178 Ų178147.2 Ų147.277%0.77479%0.792SS**  66.686.569.1-155-171.8-166.9-169.80112.9
250L27.5Very low29.3Very low176 Ų176145.3 Ų145.392%0.92179%0.791SS**  trans-143107.2137.3-85.3-178.9000109.8
251Q26.4Very low29.8Very low173 Ų173146.9 Ų146.981%0.80879%0.793SS**  trans-88128.3160-109.7139.8-16.400107.6
252L25.7Very low30.4Very low177 Ų177151.7 Ų151.793%0.92781%0.806SS**  trans-137.7131.8147.1-79.2177000108.3
253S25.1Very low31.1Very low111 Ų111150.4 Ų150.478%0.77680%0.803SS**  trans-106.4163.4-175.347.70000111
254A27.7Very low31.5Very low83 Ų83148.7 Ų148.769%0.68679%0.794SS**  trans83137.6156.100000115.3
255E28.6Very low32.9Very low152 Ų152152.8 Ų152.871%0.7180%0.797SS**  cis-157.5159.310.8-83-56.9163.500109.7
256E30.1Very low33.9Very low159 Ų159153.6 Ų153.674%0.74380%0.8SS**  trans57.3128.5141-67.6174.4171.500125.3
257D27Very low35.2Very low150 Ų150149.7 Ų149.780%0.80279%0.79SS**  trans67.5106.2139.4-69.4-9000123.2
258S29.4Very low36.2Very low120 Ų120151 Ų15184%0.83979%0.789SS**  -175.3127.7101.543.60000111.6
259S38.6Very low37.1Very low111 Ų111148.2 Ų148.278%0.77679%0.788SS**  trans-82.6118.4179.6450000111.5
260V35.8Very low38.3Very low121 Ų121143.7 Ų143.773%0.73379%0.792SS**  trans-141.3108.2154.4-167.90000108.8H262V260-H262 PolarHBondContact O-N 2.74Å
261H36.2Very low39.3Very low169 Ų169142.7 Ų142.778%0.78279%0.787SS**  trans-66.8120.3169.7-77.2-83.4000109.7
262H38.4Very low40Very low183 Ų183137.5 Ų137.585%0.84778%0.78SS**  trans-92.897.1159.1-87.8-79.8000108.3V260V260-H262 PolarHBondContact O-N 2.74Å
263E41.8Very low41.1Very low166 Ų166134.5 Ų134.578%0.77677%0.773SS**  trans-79.1139.1169.3-68.8-174.2161.600110.6
264S52.7Low41.9Very low89 Ų89136.1 Ų136.162%0.62277%0.772SS**  trans-57.3139.6178.1-54.50000112.8L266 N267S264-L266 PolarHBondContact O-N 3.15Å; S264-N267 PolarHBondContact O-N 3.19Å
265I57.8Low42.6Very low160 Ų160137.7 Ų137.782%0.82177%0.773SS**G310 helixtrans-57.7-15.9-176.9-65.8167.6000113.6N267I265-N267 VanDerWaalsContact C-N 3.33Å; I265-N267 PolarHBondContact O-N 3.17Å
266L49.3Very low43Very low159 Ų159139.7 Ų139.783%0.83278%0.779SS**G310 helixtrans-81-1.3-176-60.2179.9000115.4S264S264-L266 PolarHBondContact O-N 3.15Å
267N52.8Low43.3Very low135 Ų135143.6 Ų143.672%0.72279%0.787SS**G310 helixtrans-116.618-175.3-71.7-28.7000115.4S264 I265S264-N267 PolarHBondContact O-N 3.19Å; I265-N267 VanDerWaalsContact C-N 3.33Å; I265-N267 PolarHBondContact O-N 3.17Å
268R52Low43.7Very low205 Ų205147.2 Ų147.277%0.77479%0.79SS**  trans-74.5132.6175.2-78-164.9173.9-171.50.5112.4G270R268-G270 PolarHBondContact O-N 3.17Å
269P48Very low43.9Very low136 Ų136148 Ų14888%0.88379%0.785SS**THydrogen-bonded Turntrans-69.9117.8173.829.2-30.2000108.6
270G52.8Low43.6Very low82 Ų82153.8 Ų153.885%0.84579%0.789SS**THydrogen-bonded Turntrans133.4-13.3-177.800000114.5R268R268-G270 PolarHBondContact O-N 3.17Å
271L50.1Low43.4Very low156 Ų156154.9 Ų154.982%0.81779%0.79SS**SBendtrans-115.1100.2170-152.369.6000107.7
272G39.3Very low43Very low64 Ų64154.8 Ų154.866%0.6679%0.794SS**  trans-53.7144.9-177.100000111.8I274G272-I274 PolarHBondContact O-N 3.48Å
273S48.9Very low42.6Very low113 Ų113150.2 Ų150.279%0.7978%0.783SS**  trans-53.710017652.80000111V275S273-V275 PolarHBondContact O-N 3.2Å
274I43.6Very low42.4Very low146 Ų146148.4 Ų148.475%0.74979%0.785SS**  trans-79.695.2171.3-99.6165.6000107.9G272 F276G272-I274 PolarHBondContact O-N 3.48Å; I274-F276 PolarHBondContact O-N 3.19Å
275V41.4Very low41.5Very low116 Ų116151.7 Ų151.770%0.70379%0.791SS**  trans-71.9111.7168.1-176.50000107.2S273 R277S273-V275 PolarHBondContact O-N 3.2Å; V275-R277 PolarHBondContact O-N 3.34Å
276F37.7Very low40.3Very low194 Ų194151.4 Ų151.485%0.85179%0.791SS**  trans-60.8109.5170.9-76.3-85.1000109.9I274I274-F276 PolarHBondContact O-N 3.19Å
277R35.8Very low39.7Very low241 Ų241151.6 Ų151.691%0.90979%0.791SS**  trans-89.9131.4165.5-78.3-161.9177.8-136.21.9110.4V275V275-R277 PolarHBondContact O-N 3.34Å
278R34.5Very low38.7Very low225 Ų225150 Ų15085%0.84979%0.791SS**  trans-79.7132.6-175.1-166.2172.9-175.2150.51111.3
279N33.8Very low37.8Very low138 Ų138147.5 Ų147.574%0.73879%0.793SS**  trans67.1120.7152.5-62.57000121.7
280R32Very low37.1Very low231 Ų231146.4 Ų146.487%0.87279%0.788SS**  170.4110.7123.8-90.9173.8-161.5-123.34.8109.5
281I32.1Very low36.4Very low145 Ų145151 Ų15174%0.74479%0.785SS**  81.5119.794.5-69.4174.5000114.8
282L29.2Very low35.5Very low166 Ų166155 Ų15587%0.86979%0.789SS**  trans70.4142.5163.5-62159.1000116.7
283S29.6Very low35.2Very low88 Ų88160 Ų16062%0.61580%0.795SS**  cis-165.6161.72.642.80000107.1
284P36.8Very low34.4Very low127 Ų127162.3 Ų162.383%0.82580%0.798SS**  trans-99.895.9177.434.7-23.2000111.2
285E34.8Very low33.7Very low159 Ų159158.9 Ų158.974%0.74380%0.799SS**  trans-128.8135.4154.3-90.9102.4-174.800108.7
286D32Very low33.2Very low153 Ų153163 Ų16382%0.81881%0.807SS**  trans80.5118168.9-58-26.7000120.6
287I36.5Very low32.7Very low164 Ų164163.9 Ų163.984%0.84181%0.811SS**  trans147.886.3137.9-68.7153.3000106.6
288S31.8Very low32.6Very low101 Ų101160 Ų16071%0.70681%0.807SS**  63.9108.275.5-169.90000115.2
289D34.1Very low32.4Very low153 Ų153155.2 Ų155.282%0.81881%0.806SS**  trans44.2114.2142.6-77.9-28.9000121.4
290S31.8Very low32.4Very low113 Ų113154.3 Ų154.379%0.7981%0.81SS**  trans-153.898.2131.564.60000112
291K37.9Very low32.4Very low179 Ų179151.8 Ų151.878%0.77881%0.808SS**  trans-67.7125.3164.2-158.6179.6-170.6-176.30109.2
292R31.7Very low32.4Very low239 Ų239152 Ų15290%0.90281%0.81SS**  trans-139.7105.7159.7-75.2-167.3-177.4169.63.3109.9
293E32.7Very low32.4Very low168 Ų168153.7 Ų153.779%0.78581%0.811SS**  trans-63.6134164.4-73.8164.1153.700110.4
294L33.4Very low32.6Very low163 Ų163157.9 Ų157.985%0.85382%0.821SS**  trans-135.3107.2154.9-77.1174.7000107.3
295G28.3Very low32.3Very low74 Ų74158 Ų15876%0.76382%0.819SS**  trans-79.5148.2-179.500000113.1
296F30.2Very low32Very low202 Ų202159.9 Ų159.989%0.88683%0.828SS**  trans-130.5123.4162-78.2-83000108.9
297K28.7Very low31.8Very low212 Ų212155.3 Ų155.392%0.92282%0.817SS**PPolyproline II helixtrans-86.7130.4173.5-72.8178.8172.5-177.70108.9
298L32Very low31.5Very low160 Ų160154 Ų15484%0.83882%0.817SS**PPolyproline II helixtrans-90.8141.4162.2-96105.5000110.2
299P32.1Very low31.5Very low125 Ų125154.2 Ų154.281%0.81282%0.819SS**PPolyproline II helixtrans-83134.3171.72.815.7000111.2
300S33.5Very low31.3Very low118 Ų118156 Ų15683%0.82582%0.822SS**  trans-108.2101.1175-1.10000108.6
301E30.6Very low31.3Very low178 Ų178155.3 Ų155.383%0.83282%0.823SS**  trans-161.2101.5158.9-76.6-152.9170.200110.7
302L33.5Very low30.9Very low151 Ų151153.9 Ų153.979%0.79182%0.824SS**  trans-164.196.2148.7-126.2154.6000108.1
303F29.2Very low31Very low201 Ų201151.1 Ų151.188%0.88282%0.822SS**  trans169.793.7137.4-86.1-63000107.8
304Q32.6Very low30.9Very low176 Ų176146.6 Ų146.682%0.82282%0.82SS**  trans-92.2127.7161.8-74175.45.200108.5
305T29.9Very low30.8Very low129 Ų129143.7 Ų143.779%0.79182%0.819SS**  trans-161.9101.9140.447.60000105.7
306Q29.7Very low30.9Very low198 Ų198144.4 Ų144.493%0.92582%0.818SS**  89121.271.9-165.3167.721.100112.9
307G28.3Very low31Very low58 Ų58141.6 Ų141.660%0.59881%0.812SS**  trans115.487.616400000114.4
308T28.6Very low31.3Very low135 Ų135140 Ų14083%0.82881%0.808SS**  101.1130.275.646.60000113.9
309S32.1Very low31.4Very low107 Ų107141.1 Ų141.175%0.74881%0.809SS**  trans61.5108.2155.8590000118.3
310E30.4Very low31.4Very low189 Ų189144.3 Ų144.388%0.88381%0.813SS**  82.312876.7-81.2-157.5-172.500114.4
311A31.8Very low31.5Very low100 Ų100147.6 Ų147.683%0.82682%0.815SS**  trans68.6151.2154.700000115.4
312D29.9Very low31.7Very low149 Ų149147.3 Ų147.380%0.79781%0.814SS**  cis-167168.84.3-16913.1000106.1
313E32.6Very low31.6Very low181 Ų181147.5 Ų147.585%0.84682%0.816SS**  trans-49.2158174.7-64.6-96.2160.900116.7
314G31.1Very low31.7Very low72 Ų72141.3 Ų141.374%0.74281%0.809SS**  trans138.498.9144.800000119.4
315A30.7Very low32Very low102 Ų102141 Ų14184%0.84381%0.812SS**  trans5155143.900000124.5
316A32.4Very low32.4Very low89 Ų89144.4 Ų144.474%0.73682%0.816SS**  trans79.5146.315600000115.8
317D30.8Very low33Very low143 Ų143142 Ų14277%0.76581%0.809SS**  cis-172.9159.9-12.5-112.2-30.1000103.7
318E35.4Very low33.6Very low178 Ų178148.3 Ų148.383%0.83282%0.823SS**  trans77.1113155.3-68.1173.2-165.100121.4
319E33.2Very low34.5Very low184 Ų184148.8 Ų148.886%0.8682%0.82SS**  trans3.1130.2139.8-51.1-172.4177.300119.2
320E33.8Very low35Very low193 Ų193148.9 Ų148.990%0.90282%0.818SS**  -178.4150.1113.6-99.1179.8-177.500112
321E35.3Very low35.5Very low187 Ų187150.3 Ų150.387%0.87482%0.815SS**  trans-65.1143.4-173.7-55.7173.514900114.1
322E34.4Very low36.2Very low172 Ų172148.7 Ų148.780%0.80481%0.808SS**  178.5117.4116.1-119.6-167.8144.800112.9
323N31.6Very low37Very low154 Ų154151 Ų15182%0.82481%0.814SS**  trans30.4113.9138.5-64.3-35.7000120.5
324G31.4Very low37.6Very low72 Ų72149.1 Ų149.174%0.74281%0.81SS**  trans-169.369.8164.300000114.6K326G324-K326 PolarHBondContact O-N 2.66Å
325L37.7Very low38.6Very low170 Ų170154.2 Ų154.289%0.8981%0.814SS**  trans9.2105.9152.7-79.1132000116.9
326K40.1Very low39.3Very low200 Ų200154.4 Ų154.487%0.8781%0.805SS**  trans-138.899.8148.6-83.3-172.3179.2171.40109.8G324 E328G324-K326 PolarHBondContact O-N 2.66Å; K326-E328 PolarHBondContact O-N 2.81Å
327D40.7Very low40Very low146 Ų146158.4 Ų158.478%0.78181%0.808SS**  trans-1.2106157.1-58.9-35.6000115.9L329D327-L329 PolarHBondContact O-N 3.33Å; D327-L329 VanDerWaalsContact O-N 3.14Å
328E41.8Very low40.6Very low192 Ų192162.1 Ų162.190%0.89781%0.811SS**  trans-59.3108.1159.9-73.6176.1158.600109K326K326-E328 PolarHBondContact O-N 2.81Å
329L46.8Very low41.1Very low145 Ų145161.5 Ų161.576%0.75981%0.809SS**  trans-71.6125.2163.6-77.2159.3000108D327 W331D327-L329 PolarHBondContact O-N 3.33Å; D327-L329 VanDerWaalsContact O-N 3.14Å; L329-W331 VanDerWaalsContact C-N 3.29Å; L329-W331 PolarHBondContact O-N 3.27Å
330P43Very low42Very low108 Ų108161.9 Ų161.970%0.70181%0.811SS**SBendtrans-87.566-168.535.6-35.5000111
331W41.2Very low42.9Very low220 Ų220159.7 Ų159.783%0.83381%0.805SS**  trans-127.993.6166.1-56.4100.7000106.5L329 E333L329-W331 VanDerWaalsContact C-N 3.29Å; L329-W331 PolarHBondContact O-N 3.27Å; W331-E333 PolarHBondContact O-N 3.34Å
332G45.6Very low43.8Very low65 Ų65156 Ų15667%0.6780%0.795SS**  trans-52.6134.8168.100000108.5D334G332-D334 PolarHBondContact O-N 3.26Å
333E46.8Very low45.1Very low199 Ų199154.1 Ų154.193%0.9380%0.795SS**  trans-66.168.9164.5-67176.8161.300108.2W331 E335W331-E333 PolarHBondContact O-N 3.34Å; E333-E335 VanDerWaalsContact C-N 3.31Å; E333-E335 PolarHBondContact O-N 3.05Å
334D46.1Very low46.8Very low141 Ų141153.7 Ų153.775%0.75479%0.793SS**  trans-74.5100.6153.7-70.3-29.1000104.1G332 V336G332-D334 PolarHBondContact O-N 3.26Å; D334-V336 PolarHBondContact O-N 2.89Å
335E51.1Low49Very low179 Ų179153 Ų15384%0.83678%0.779SS**  trans-51.993.8162.2-167.3166.5-154.500106.3E333 E337E333-E335 VanDerWaalsContact C-N 3.31Å; E333-E335 PolarHBondContact O-N 3.05Å; E335-E337 PolarHBondContact O-N 2.92Å
336V45.7Very low51.3Low105 Ų105147.5 Ų147.564%0.63675%0.753SS**  trans-64.991.9172.1177.40000104.6D334 W338D334-V336 PolarHBondContact O-N 2.89Å; V336-W338 PolarHBondContact O-N 3.5Å
337E47.4Very low53.8Low173 Ų173142.5 Ų142.581%0.80874%0.741SS**  trans-54.998.7159.2-76.3-175.8159.700105.4E335 E339E335-E337 PolarHBondContact O-N 2.92Å; E337-E339 PolarHBondContact O-N 2.94Å
338W44.3Very low56.1Low221 Ų221136 Ų13684%0.83771%0.707SS**  trans-58.1111.2163.6-66.379.5000104.7V336 E340V336-W338 PolarHBondContact O-N 3.5Å; W338-E340 VanDerWaalsContact C-N 3.31Å; W338-E340 PolarHBondContact O-N 3.44Å
339E45.5Very low58.5Low166 Ų166129.6 Ų129.678%0.77668%0.676SS**  trans-52.9103.1169.2-68.3-174.4168.100106.7E337 D341 V342E337-E339 PolarHBondContact O-N 2.94Å; E339-D341 PolarHBondContact O-N 2.95Å; E339-V342 PolarHBondContact O-N 3.36Å
340E52.7Low60.6Low192 Ų192126.4 Ų126.490%0.89766%0.663SS**THydrogen-bonded Turntrans-63.5-1.6178.4-74.1-172.7153.100112W338 V342W338-E340 VanDerWaalsContact C-N 3.31Å; W338-E340 PolarHBondContact O-N 3.44Å; E340-V342 VanDerWaalsContact C-N 3.3Å; E340-V342 PolarHBondContact O-N 2.67Å
341D51.1Low63Low146 Ų146122 Ų12278%0.78163%0.633SS**THydrogen-bonded Turntrans-88.619.9178-70.1-25.2000113.7E339 V343E339-D341 PolarHBondContact O-N 2.95Å; D341-V343 PolarHBondContact O-N 3.14Å
342V54.8Low65.4Low111 Ų111111.5 Ų111.567%0.67359%0.593SS**  trans-68.889.3157.7-1740000106.8E339 E340 D344E339-V342 PolarHBondContact O-N 3.36Å; E340-V342 VanDerWaalsContact C-N 3.3Å; E340-V342 PolarHBondContact O-N 2.67Å; V342-D344 PolarHBondContact O-N 3.4Å
343V61.1Low67.5Low131 Ų131112.2 Ų112.279%0.79458%0.581SS**  trans-48.1108.9166-178.40000106.4D341 A345D341-V343 PolarHBondContact O-N 3.14Å; V343-A345 PolarHBondContact O-N 3.08Å
344D68.1Low69.5Low146 Ų146105.9 Ų105.978%0.78156%0.559SS**  trans-43108.7-176.7-75.2-43.3000109.3V342 T346V342-D344 PolarHBondContact O-N 3.4Å; D344-T346 PolarHBondContact O-N 3.34Å
345A77.2Confident71.6Confident56 Ų56101.5 Ų101.546%0.46353%0.534SS..  trans-60.8113.8-174.900000107.8V343 V350V343-A345 PolarHBondContact O-N 3.08Å; A345-V350 HydrophobicContact CB-CG2 3.81Å
346T87.4Confident73.3Confident55 Ų55100.2 Ų100.234%0.33753%0.527SS..  trans-59.3143.5-174.460.20000109.7D344 L348 E349 V350D344-T346 PolarHBondContact O-N 3.34Å; T346-L348 PolarHBondContact O-N 3.46Å; T346-E349 WeakPolarHBondContact O-CA 3.49Å; T346-E349 VanDerWaalsContact O-CB 3.31Å; T346-E349 WeakPolarHBondContact O-CB 3.31Å; T346-E349 PolarHBondContact O-N 2.91Å; T346-E349 WeakPolarHBondContact OG1-CB 3.38Å; T346-E349 PolarHBondContact OG1-N 3.37Å; T346-V350 PolarHBondContact O-N 3.33Å; T346-V350 VanDerWaalsContact O-N 3.09Å
347P90.7Very high75.3Confident95 Ų9595.6 Ų95.662%0.61750%0.499SS*.Hα-helixtrans-54.1-30.8-179.4-29.635.5000113.7F351 L371P347-F351 VanDerWaalsContact O-CB 3.3Å; P347-F351 WeakPolarHBondContact O-CB 3.19Å; P347-F351 PolarHBondContact O-N 2.85Å; P347-L371 HydrophobicContact CB-CD2 4.03Å
348L90.5Very high77.3Confident11 Ų1192.6 Ų92.66%0.05849%0.485CS..Hα-helixtrans-65.6-42.6173.2178.966000112.5T346 F351 L352 L361 F364 I369 L371 L374T346-L348 PolarHBondContact O-N 3.46Å; L348-F351 PolarHBondContact O-N 3.07Å; L348-L352 HydrophobicContact CD1-CD1 4.11Å; L348-L352 HydrophobicContact CD1-CG 4.28Å; L348-L352 HydrophobicContact CG-CD1 4.06Å; L348-L352 WeakPolarHBondContact O-CB 3.49Å; L348-L352 WeakPolarHBondContact O-CG 3.12Å; L348-L352 PolarHBondContact O-N 2.85Å; L348-L361 HydrophobicContact CD2-CD1 4.29Å; L348-L361 HydrophobicContact CG-CD1 4.29Å; L348-F364 HydrophobicContact CD2-CB 3.98Å; L348-I369 WeakPolarHBondContact CD2-O 3.28Å; L348-L371 HydrophobicContact CB-CB 4.36Å; L348-L371 HydrophobicContact CD1-CD1 4.4Å; L348-L374 HydrophobicContact CD1-CD2 3.69Å
349E91.5Very high79.3Confident56 Ų5689.6 Ų89.626%0.26248%0.481SS..Hα-helixtrans-65.7-47.3179.7-179.3160.5-172.800111.3T346 F351 L352 L353 L361 K365T346-E349 WeakPolarHBondContact O-CA 3.49Å; T346-E349 VanDerWaalsContact O-CB 3.31Å; T346-E349 WeakPolarHBondContact O-CB 3.31Å; T346-E349 PolarHBondContact O-N 2.91Å; T346-E349 WeakPolarHBondContact OG1-CB 3.38Å; T346-E349 PolarHBondContact OG1-N 3.37Å; E349-F351 VanDerWaalsContact C-N 3.29Å; E349-F351 PolarHBondContact O-N 3.48Å; E349-L352 PolarHBondContact O-N 3.3Å; E349-L353 HydrophobicContact CG-CD1 4.06Å; E349-L353 WeakPolarHBondContact O-CB 3.36Å; E349-L353 WeakPolarHBondContact O-CD1 3.33Å; E349-L353 WeakPolarHBondContact O-CG 3.47Å; E349-L353 PolarHBondContact O-N 2.96Å; E349-L361 HydrophobicContact CB-CD1 4.04Å; E349-L361 HydrophobicContact CB-CD2 4.19Å; E349-L361 HydrophobicContact CG-CD2 3.79Å; E349-K365 IonicContact OE2-NZ 3.1Å; E349-K365 PolarHBondContact OE2-NZ 3.05Å; E349-K365 VanDerWaalsContact OE2-NZ 3.1Å
350V91.8Very high81.3Confident79 Ų7983.1 Ų83.148%0.47945%0.45SS..Hα-helixtrans-58.9-42.2173.4-179.60000111.3A345 T346 S354A345-V350 HydrophobicContact CB-CG2 3.81Å; T346-V350 PolarHBondContact O-N 3.33Å; T346-V350 VanDerWaalsContact O-N 3.09Å; V350-S354 PolarHBondContact O-N 3.26Å
351F92Very high83.1Confident14 Ų1475 Ų756%0.06141%0.412CS..Hα-helixtrans-63.4-48177.8176.2-104.9000112.2P347 L348 E349 S354 Q355 L371 L374 A398 R402P347-F351 VanDerWaalsContact O-CB 3.3Å; P347-F351 WeakPolarHBondContact O-CB 3.19Å; P347-F351 PolarHBondContact O-N 2.85Å; L348-F351 PolarHBondContact O-N 3.07Å; E349-F351 VanDerWaalsContact C-N 3.29Å; E349-F351 PolarHBondContact O-N 3.48Å; F351-S354 PolarHBondContact O-N 3.28Å; F351-S354 PolarHBondContact O-OG 2.92Å; F351-Q355 HydrophobicContact CE2-CG 4.5Å; F351-Q355 HydrophobicContact CZ-CG 4.48Å; F351-Q355 WeakPolarHBondContact O-CG 3.4Å; F351-Q355 PolarHBondContact O-N 3.03Å; F351-L371 HydrophobicContact CB-CD1 3.85Å; F351-L371 HydrophobicContact CB-CD2 4.47Å; F351-L371 HydrophobicContact CD1-CD1 3.61Å; F351-L371 HydrophobicContact CD2-CD1 4.27Å; F351-L371 HydrophobicContact CE1-CD1 4.2Å; F351-L371 HydrophobicContact CG-CD1 3.63Å; F351-L374 HydrophobicContact CD1-CD2 4.24Å; F351-L374 HydrophobicContact CE1-CD2 4.02Å; F351-A398 HydrophobicContact CE2-CB 4.37Å; F351-A398 HydrophobicContact CZ-CB 3.77Å; F351-R402 HydrophobicContact CE2-CB 4.32Å
352L91.4Very high84.8Confident1 Ų172.2 Ų72.21%0.00540%0.403CS..Hα-helixtrans-66.8-38.6180-70.6174000112.3L348 E349 Q355 H356 L357 L361 F364L348-L352 HydrophobicContact CD1-CD1 4.11Å; L348-L352 HydrophobicContact CD1-CG 4.28Å; L348-L352 HydrophobicContact CG-CD1 4.06Å; L348-L352 WeakPolarHBondContact O-CB 3.49Å; L348-L352 WeakPolarHBondContact O-CG 3.12Å; L348-L352 PolarHBondContact O-N 2.85Å; E349-L352 PolarHBondContact O-N 3.3Å; L352-Q355 CarbonylContact O-C 3.52Å; L352-Q355 PolarHBondContact O-N 3.27Å; L352-Q355 VanDerWaalsContact O-N 3.17Å; L352-H356 PolarHBondContact O-N 3.44Å; L352-H356 VanDerWaalsContact O-N 3.14Å; L352-L357 HydrophobicContact CD2-CB 3.99Å; L352-L357 PolarHBondContact O-N 3.11Å; L352-L361 HydrophobicContact CD1-CB 4.14Å; L352-L361 HydrophobicContact CD1-CD1 3.84Å; L352-F364 HydrophobicContact CD1-CD2 3.74Å; L352-F364 HydrophobicContact CD1-CE2 4.16Å; L352-F364 HydrophobicContact CD2-CE2 4.12Å
353L91.1Very high86.4Confident79 Ų7969 Ų6941%0.41438%0.381SS..Hα-helixtrans-58.5-46.4173.1-74.7167.3000111.1E349 Q355 H356 E358E349-L353 HydrophobicContact CG-CD1 4.06Å; E349-L353 WeakPolarHBondContact O-CB 3.36Å; E349-L353 WeakPolarHBondContact O-CD1 3.33Å; E349-L353 WeakPolarHBondContact O-CG 3.47Å; E349-L353 PolarHBondContact O-N 2.96Å; L353-Q355 PolarHBondContact O-N 2.86Å; L353-Q355 VanDerWaalsContact O-N 3.1Å; L353-H356 PolarHBondContact O-N 2.91Å; L353-E358 HydrophobicContact CD2-CB 3.98Å; L353-E358 WeakPolarHBondContact CD2-OE2 3.42Å
354S89.4Confident87.7Confident67 Ų6762.8 Ų62.847%0.46934%0.343SS..Hα-helixtrans-59.9-24.6178.180.60000113.9V350 F351V350-S354 PolarHBondContact O-N 3.26Å; F351-S354 PolarHBondContact O-N 3.28Å; F351-S354 PolarHBondContact O-OG 2.92Å
355Q88.7Confident88.6Confident49 Ų4961 Ų6123%0.22933%0.329CS..THydrogen-bonded Turntrans-101.15.1179.6-57.6-54.1-50.800112.6F351 L352 L353 L357 K394 A398F351-Q355 HydrophobicContact CE2-CG 4.5Å; F351-Q355 HydrophobicContact CZ-CG 4.48Å; F351-Q355 WeakPolarHBondContact O-CG 3.4Å; F351-Q355 PolarHBondContact O-N 3.03Å; L352-Q355 CarbonylContact O-C 3.52Å; L352-Q355 PolarHBondContact O-N 3.27Å; L352-Q355 VanDerWaalsContact O-N 3.17Å; L353-Q355 PolarHBondContact O-N 2.86Å; L353-Q355 VanDerWaalsContact O-N 3.1Å; Q355-L357 HydrophobicContact CB-CD1 3.93Å; Q355-L357 HydrophobicContact CB-CG 4.3Å; Q355-K394 WeakPolarHBondContact O-CE 3.49Å; Q355-K394 PolarHBondContact O-NZ 3.06Å; Q355-A398 HydrophobicContact CG-CB 3.67Å
356H88Confident89.1Confident151 Ų15166.1 Ų66.170%0.69934%0.336SS*.THydrogen-bonded Turntrans51.653.7-173.4-50-71000111.8L352 L353L352-H356 PolarHBondContact O-N 3.44Å; L352-H356 VanDerWaalsContact O-N 3.14Å; L353-H356 PolarHBondContact O-N 2.91Å
357L87.7Confident89Confident9 Ų968.1 Ų68.15%0.04734%0.341CS..  trans-131.727.2-178.2-72.7170.9000112L352 Q355 E359 F360 P391 K394 V395L352-L357 HydrophobicContact CD2-CB 3.99Å; L352-L357 PolarHBondContact O-N 3.11Å; Q355-L357 HydrophobicContact CB-CD1 3.93Å; Q355-L357 HydrophobicContact CB-CG 4.3Å; L357-E359 PolarHBondContact O-N 3.1Å; L357-F360 HydrophobicContact CB-CD2 4.24Å; L357-F360 HydrophobicContact CD2-CD2 3.77Å; L357-F360 HydrophobicContact CD2-CE2 3.74Å; L357-F360 PolarHBondContact O-N 3.38Å; L357-F360 VanDerWaalsContact O-N 3.15Å; L357-P391 HydrophobicContact CD2-CB 4.13Å; L357-K394 HydrophobicContact CD1-CB 4.38Å; L357-K394 HydrophobicContact CD1-CD 4.2Å; L357-K394 HydrophobicContact CD1-CG 4.23Å; L357-K394 HydrophobicContact CD2-CD 4.13Å; L357-K394 HydrophobicContact CG-CD 4.2Å; L357-V395 HydrophobicContact CD1-CG2 3.52Å
358E88.3Confident88.8Confident110 Ų11072 Ų7251%0.51435%0.351SS..G310 helixtrans-57.8-30.4179.563.5-154.4-146.700113.9L353 F360 L361L353-E358 HydrophobicContact CD2-CB 3.98Å; L353-E358 WeakPolarHBondContact CD2-OE2 3.42Å; E358-F360 PolarHBondContact O-N 3.01Å; E358-F360 VanDerWaalsContact O-N 3.09Å; E358-L361 VanDerWaalsContact O-CB 3.25Å; E358-L361 WeakPolarHBondContact O-CB 3.42Å; E358-L361 PolarHBondContact O-N 3.32Å
359E87.6Confident88.7Confident158 Ų15872.7 Ų72.774%0.73836%0.355SS*.G310 helixtrans-58-25.3177.3-62.2-178.7177.200113.1L357 P362L357-E359 PolarHBondContact O-N 3.1Å; E359-P362 WeakPolarHBondContact O-CD 3.2Å
360F87.3Confident88.7Confident29 Ų2974.2 Ų74.213%0.12737%0.365CS..G310 helixtrans-92.2-8.2-178.9-59.9-81.4000113.4L357 E358 P362 I363 F364 M387 P391L357-F360 HydrophobicContact CB-CD2 4.24Å; L357-F360 HydrophobicContact CD2-CD2 3.77Å; L357-F360 HydrophobicContact CD2-CE2 3.74Å; L357-F360 PolarHBondContact O-N 3.38Å; L357-F360 VanDerWaalsContact O-N 3.15Å; E358-F360 PolarHBondContact O-N 3.01Å; E358-F360 VanDerWaalsContact O-N 3.09Å; F360-P362 VanDerWaalsContact C-CD 3.47Å; F360-I363 HydrophobicContact CD1-CD1 3.92Å; F360-I363 WeakPolarHBondContact O-CB 3.33Å; F360-I363 PolarHBondContact O-N 2.87Å; F360-F364 HydrophobicContact CB-CD2 4.08Å; F360-F364 HydrophobicContact CB-CE2 3.63Å; F360-F364 WeakPolarHBondContact O-CD2 3.39Å; F360-F364 PolarHBondContact O-N 3.22Å; F360-F364 VanDerWaalsContact O-N 3.14Å; F360-M387 HydrophobicContact CD1-CG 4.14Å; F360-M387 HydrophobicContact CD1-SD 4.01Å; F360-M387 HydrophobicContact CE1-CG 3.9Å; F360-M387 HydrophobicContact CE1-SD 4.23Å; F360-M387 HydrophobicContact CG-SD 4.33Å; F360-P391 HydrophobicContact CD2-CB 4.44Å; F360-P391 HydrophobicContact CE1-CB 4.2Å; F360-P391 HydrophobicContact CE1-CG 4.46Å; F360-P391 HydrophobicContact CE2-CB 3.57Å; F360-P391 HydrophobicContact CE2-CG 3.9Å; F360-P391 HydrophobicContact CZ-CB 3.44Å; F360-P391 VanDerWaalsContact CZ-CB 3.44Å; F360-P391 HydrophobicContact CZ-CG 3.51Å
361L88.9Confident88.6Confident22 Ų2271.1 Ų71.112%0.11535%0.345CS..Hα-helixtrans-55.8-43.2179.3-175.971.2000113.3L348 E349 L352 E358 I363 F364 K365L348-L361 HydrophobicContact CD2-CD1 4.29Å; L348-L361 HydrophobicContact CG-CD1 4.29Å; E349-L361 HydrophobicContact CB-CD1 4.04Å; E349-L361 HydrophobicContact CB-CD2 4.19Å; E349-L361 HydrophobicContact CG-CD2 3.79Å; L352-L361 HydrophobicContact CD1-CB 4.14Å; L352-L361 HydrophobicContact CD1-CD1 3.84Å; E358-L361 VanDerWaalsContact O-CB 3.25Å; E358-L361 WeakPolarHBondContact O-CB 3.42Å; E358-L361 PolarHBondContact O-N 3.32Å; L361-I363 PolarHBondContact O-N 2.89Å; L361-F364 PolarHBondContact O-N 3.32Å; L361-K365 HydrophobicContact CD1-CD 4.46Å; L361-K365 HydrophobicContact CD1-CG 4.41Å; L361-K365 HydrophobicContact CG-CD 4.15Å; L361-K365 HydrophobicContact CG-CG 4.39Å; L361-K365 WeakPolarHBondContact O-CB 3.36Å; L361-K365 WeakPolarHBondContact O-CG 3.04Å; L361-K365 PolarHBondContact O-N 2.89Å
362P87.8Confident88.5Confident88 Ų8876.2 Ų76.257%0.57137%0.37SS*.Hα-helixtrans-63.9-29.5177.9-21.434.3000112.9E359 F360 R366E359-P362 WeakPolarHBondContact O-CD 3.2Å; F360-P362 VanDerWaalsContact C-CD 3.47Å; P362-R366 VanDerWaalsContact O-CB 3.3Å; P362-R366 WeakPolarHBondContact O-CB 3.45Å; P362-R366 PolarHBondContact O-N 3.42Å
363I87.7Confident88.4Confident42 Ų4277.9 Ų77.922%0.21538%0.383CS..Hα-helixtrans-71.8-47.4179.3-61.8168.7000109.5F360 L361 R366 E367 I385F360-I363 HydrophobicContact CD1-CD1 3.92Å; F360-I363 WeakPolarHBondContact O-CB 3.33Å; F360-I363 PolarHBondContact O-N 2.87Å; L361-I363 PolarHBondContact O-N 2.89Å; I363-R366 PolarHBondContact O-N 3.11Å; I363-E367 PolarHBondContact O-N 2.94Å; I363-E367 VanDerWaalsContact O-N 3.12Å; I363-I385 HydrophobicContact CG2-CG2 3.13Å
364F89.3Confident88.4Confident1 Ų174.1 Ų74.10%0.00436%0.364CS..Hα-helixtrans-65.8-39.3175.9-64.2-64.8000112.5L348 L352 F360 L361 R366 E367 Q368 I369 L374 L382 M387L348-F364 HydrophobicContact CD2-CB 3.98Å; L352-F364 HydrophobicContact CD1-CD2 3.74Å; L352-F364 HydrophobicContact CD1-CE2 4.16Å; L352-F364 HydrophobicContact CD2-CE2 4.12Å; F360-F364 HydrophobicContact CB-CD2 4.08Å; F360-F364 HydrophobicContact CB-CE2 3.63Å; F360-F364 WeakPolarHBondContact O-CD2 3.39Å; F360-F364 PolarHBondContact O-N 3.22Å; F360-F364 VanDerWaalsContact O-N 3.14Å; L361-F364 PolarHBondContact O-N 3.32Å; F364-R366 VanDerWaalsContact C-N 3.32Å; F364-R366 PolarHBondContact O-N 3.17Å; F364-E367 PolarHBondContact O-N 2.99Å; F364-Q368 PolarHBondContact O-N 2.8Å; F364-I369 HydrophobicContact CB-CB 4.38Å; F364-I369 HydrophobicContact CD1-CB 4.1Å; F364-I369 HydrophobicContact CD1-CD1 3.99Å; F364-I369 HydrophobicContact CD1-CG2 4.09Å; F364-I369 PolarHBondContact O-N 3Å; F364-L374 HydrophobicContact CD1-CD1 4.28Å; F364-L374 HydrophobicContact CE1-CD1 3.61Å; F364-L374 HydrophobicContact CZ-CD1 3.95Å; F364-L382 HydrophobicContact CE1-CD2 4.17Å; F364-L382 HydrophobicContact CZ-CD2 4.48Å; F364-M387 HydrophobicContact CZ-CE 4.49Å
365K87.4Confident88.4Confident110 Ų11071.5 Ų71.548%0.47834%0.344SS..Hα-helixtrans-62.9-37174-75.1-173.5177.6175.10111.8E349 L361 Q368E349-K365 IonicContact OE2-NZ 3.1Å; E349-K365 PolarHBondContact OE2-NZ 3.05Å; E349-K365 VanDerWaalsContact OE2-NZ 3.1Å; L361-K365 HydrophobicContact CD1-CD 4.46Å; L361-K365 HydrophobicContact CD1-CG 4.41Å; L361-K365 HydrophobicContact CG-CD 4.15Å; L361-K365 HydrophobicContact CG-CG 4.39Å; L361-K365 WeakPolarHBondContact O-CB 3.36Å; L361-K365 WeakPolarHBondContact O-CG 3.04Å; L361-K365 PolarHBondContact O-N 2.89Å; K365-Q368 PolarHBondContact O-N 2.99Å
366R87.4Confident88.5Confident162 Ų16276 Ų7661%0.61137%0.369SS*.Hα-helixtrans-66.4-42.7176.8-176.3179.269.5-144.8-2.6112.6P362 I363 F364 Q368P362-R366 VanDerWaalsContact O-CB 3.3Å; P362-R366 WeakPolarHBondContact O-CB 3.45Å; P362-R366 PolarHBondContact O-N 3.42Å; I363-R366 PolarHBondContact O-N 3.11Å; F364-R366 VanDerWaalsContact C-N 3.32Å; F364-R366 PolarHBondContact O-N 3.17Å; R366-Q368 PolarHBondContact O-N 3.34Å
367E85.6Confident88.5Confident97 Ų9769.9 Ų69.945%0.45334%0.343SS..THydrogen-bonded Turntrans-84.14.3179.3-56.1-54139.900112.9I363 F364 I369I363-E367 PolarHBondContact O-N 2.94Å; I363-E367 VanDerWaalsContact O-N 3.12Å; F364-E367 PolarHBondContact O-N 2.99Å; E367-I369 VanDerWaalsContact C-N 3.25Å; E367-I369 HydrophobicContact CB-CD1 3.86Å; E367-I369 HydrophobicContact CB-CG1 4Å; E367-I369 PolarHBondContact O-N 3.41Å
368Q86.1Confident88.5Confident177 Ų17771.5 Ų71.583%0.82736%0.355SS*.THydrogen-bonded Turntrans55.236.8-178.3-57.2-176.60.800113.7F364 K365 R366F364-Q368 PolarHBondContact O-N 2.8Å; K365-Q368 PolarHBondContact O-N 2.99Å; R366-Q368 PolarHBondContact O-N 3.34Å
369I88.1Confident88.5Confident26 Ų2668.7 Ų68.713%0.13334%0.344CS..  trans-88.6115.5177.1-62170000107.9L348 F364 E367 A373 L374 I385L348-I369 WeakPolarHBondContact CD2-O 3.28Å; F364-I369 HydrophobicContact CB-CB 4.38Å; F364-I369 HydrophobicContact CD1-CB 4.1Å; F364-I369 HydrophobicContact CD1-CD1 3.99Å; F364-I369 HydrophobicContact CD1-CG2 4.09Å; F364-I369 PolarHBondContact O-N 3Å; E367-I369 VanDerWaalsContact C-N 3.25Å; E367-I369 HydrophobicContact CB-CD1 3.86Å; E367-I369 HydrophobicContact CB-CG1 4Å; E367-I369 PolarHBondContact O-N 3.41Å; I369-A373 HydrophobicContact CG2-CB 4.04Å; I369-L374 HydrophobicContact CG2-CB 3.96Å; I369-L374 HydrophobicContact CG2-CD1 4.5Å; I369-I385 HydrophobicContact CD1-CD1 3.38Å
370D90.6Very high88.5Confident88 Ų8867.2 Ų67.247%0.47134%0.337SS..  trans-87177.7170.766.4-6000111.4E372 A373 L374D370-E372 VanDerWaalsContact C-N 3.29Å; D370-E372 PolarHBondContact O-N 2.79Å; D370-A373 PolarHBondContact O-N 3.38Å; D370-A373 WeakPolarHBondContact OD1-CB 3.49Å; D370-A373 PolarHBondContact OD1-N 3.45Å; D370-L374 WeakPolarHBondContact O-CB 3.47Å; D370-L374 PolarHBondContact O-N 3.22Å
371L90.1Very high88.6Confident13 Ų1369.3 Ų69.37%0.06835%0.349CS..Hα-helixtrans-63-37.3-177.8-177.461.1000112P347 L348 F351 L374 L375P347-L371 HydrophobicContact CB-CD2 4.03Å; L348-L371 HydrophobicContact CB-CB 4.36Å; L348-L371 HydrophobicContact CD1-CD1 4.4Å; F351-L371 HydrophobicContact CB-CD1 3.85Å; F351-L371 HydrophobicContact CB-CD2 4.47Å; F351-L371 HydrophobicContact CD1-CD1 3.61Å; F351-L371 HydrophobicContact CD2-CD1 4.27Å; F351-L371 HydrophobicContact CE1-CD1 4.2Å; F351-L371 HydrophobicContact CG-CD1 3.63Å; L371-L374 PolarHBondContact O-N 2.83Å; L371-L375 WeakPolarHBondContact O-CG 3.2Å; L371-L375 PolarHBondContact O-N 2.78Å
372E89.6Confident88.5Confident122 Ų12268.2 Ų68.257%0.5734%0.344SS*.Hα-helixtrans-68.8-43.5179.3-64.9-58.614600111.6D370 L374 L375 L376D370-E372 VanDerWaalsContact C-N 3.29Å; D370-E372 PolarHBondContact O-N 2.79Å; E372-L374 VanDerWaalsContact C-N 3.32Å; E372-L374 PolarHBondContact O-N 3.41Å; E372-L375 WeakPolarHBondContact O-CB 3.35Å; E372-L375 PolarHBondContact O-N 3.34Å; E372-L376 PolarHBondContact O-N 3.16Å
373A90.4Very high88.4Confident36 Ų3669.5 Ų69.530%0.29834%0.342SS..Hα-helixtrans-62.7-40.4172.700000111.5I369 D370 L375 L376 C377I369-A373 HydrophobicContact CG2-CB 4.04Å; D370-A373 PolarHBondContact O-N 3.38Å; D370-A373 WeakPolarHBondContact OD1-CB 3.49Å; D370-A373 PolarHBondContact OD1-N 3.45Å; A373-L375 VanDerWaalsContact C-N 3.27Å; A373-L375 PolarHBondContact O-N 2.98Å; A373-L376 PolarHBondContact O-N 2.77Å; A373-C377 PolarHBondContact O-N 3.11Å; A373-C377 PolarHBondContact O-SG 2.91Å
374L90.9Very high88.3Confident0 Ų071.9 Ų71.90%036%0.362CS..Hα-helixtrans-60.6-36.9176.9-175.461.6000112L348 F351 F364 I369 D370 L371 E372 L376 C377 L382 V395 I399L348-L374 HydrophobicContact CD1-CD2 3.69Å; F351-L374 HydrophobicContact CD1-CD2 4.24Å; F351-L374 HydrophobicContact CE1-CD2 4.02Å; F364-L374 HydrophobicContact CD1-CD1 4.28Å; F364-L374 HydrophobicContact CE1-CD1 3.61Å; F364-L374 HydrophobicContact CZ-CD1 3.95Å; I369-L374 HydrophobicContact CG2-CB 3.96Å; I369-L374 HydrophobicContact CG2-CD1 4.5Å; D370-L374 WeakPolarHBondContact O-CB 3.47Å; D370-L374 PolarHBondContact O-N 3.22Å; L371-L374 PolarHBondContact O-N 2.83Å; E372-L374 VanDerWaalsContact C-N 3.32Å; E372-L374 PolarHBondContact O-N 3.41Å; L374-L376 PolarHBondContact O-N 2.89Å; L374-C377 PolarHBondContact O-N 3Å; L374-L382 HydrophobicContact CD1-CD2 4.11Å; L374-V395 HydrophobicContact CD1-CG1 4.02Å; L374-I399 HydrophobicContact CD1-CD1 4.26Å; L374-I399 HydrophobicContact CG-CD1 4.06Å; L374-I399 HydrophobicContact CG-CG1 4.46Å; L374-I399 WeakPolarHBondContact O-CD1 3.25Å
375L90.1Very high88Confident11 Ų1172.9 Ų72.96%0.05837%0.367CS..Hα-helixtrans-64.6-21.2174.8-70.3172.6000112.6L371 E372 A373 I399 R402 K403L371-L375 WeakPolarHBondContact O-CG 3.2Å; L371-L375 PolarHBondContact O-N 2.78Å; E372-L375 WeakPolarHBondContact O-CB 3.35Å; E372-L375 PolarHBondContact O-N 3.34Å; A373-L375 VanDerWaalsContact C-N 3.27Å; A373-L375 PolarHBondContact O-N 2.98Å; L375-I399 HydrophobicContact CD2-CB 4.3Å; L375-I399 HydrophobicContact CD2-CG1 4.31Å; L375-I399 HydrophobicContact CD2-CG2 3.82Å; L375-R402 HydrophobicContact CD2-CB 4.49Å; L375-R402 HydrophobicContact CD2-CG 4.46Å; L375-K403 HydrophobicContact CD2-CG 4.34Å; L375-K403 WeakPolarHBondContact O-CE 3.5Å; L375-K403 PolarHBondContact O-NZ 3.38Å
376L89.3Confident87.7Confident145 Ų14576 Ų7676%0.75938%0.384SS*.Hα-helixtrans-95.4-12.3179.9-63.2175.2000113.8E372 A373 L374E372-L376 PolarHBondContact O-N 3.16Å; A373-L376 PolarHBondContact O-N 2.77Å; L374-L376 PolarHBondContact O-N 2.89Å
377C88.4Confident87.5Confident21 Ų2168.8 Ų68.814%0.14236%0.357CS..  trans-64.2138.3-178.2-67.40000113.3A373 L374 D381 L382A373-C377 PolarHBondContact O-N 3.11Å; A373-C377 PolarHBondContact O-SG 2.91Å; L374-C377 PolarHBondContact O-N 3Å; C377-D381 HydrophobicContact CB-CB 4.16Å; C377-L382 HydrophobicContact CB-CD2 4.13Å; C377-L382 HydrophobicContact CB-CG 4.28Å
378S88.1Confident87.6Confident43 Ų4371.3 Ų71.330%0.30137%0.369SS..  trans-88.7174.516983.10000112.5E380 D381 L382S378-E380 VanDerWaalsContact CB-OE2 3.25Å; S378-E380 WeakPolarHBondContact CB-OE2 3.4Å; S378-E380 PolarHBondContact O-N 3.43Å; S378-E380 PolarHBondContact OG-N 2.68Å; S378-E380 PolarHBondContact OG-OE2 2.87Å; S378-D381 PolarHBondContact N-OD2 3.2Å; S378-D381 PolarHBondContact O-N 3Å; S378-D381 PolarHBondContact OG-N 3.25Å; S378-D381 PolarHBondContact OG-OD2 3.24Å; S378-L382 WeakPolarHBondContact O-CG 3.48Å; S378-L382 PolarHBondContact O-N 3.39Å
379D88.7Confident87.5Confident52 Ų5267.4 Ų67.428%0.27835%0.353SS..Hα-helixtrans-63-34.1175.4-166.852.9000111.6Q383 R392 L396D379-Q383 WeakPolarHBondContact O-CB 3.28Å; D379-Q383 PolarHBondContact O-N 2.89Å; D379-R392 WeakPolarHBondContact OD1-CD 3.3Å; D379-R392 WeakPolarHBondContact OD1-CG 3.26Å; D379-R392 IonicContact OD1-CZ 2.79Å; D379-R392 IonicContact OD1-NE 3.67Å; D379-R392 PolarHBondContact OD1-NE 2.92Å; D379-R392 IonicContact OD1-NH2 3.66Å; D379-R392 PolarHBondContact OD1-NH2 3.09Å; D379-R392 IonicContact OD2-CZ 3.97Å; D379-R392 IonicContact OD2-NE 2.72Å; D379-R392 IonicContact OD2-NH2 3.43Å; D379-R392 PolarHBondContact OD2-NH2 3.35Å; D379-L396 HydrophobicContact CB-CD1 3.88Å; D379-L396 VanDerWaalsContact OD1-CD1 3.29Å; D379-L396 WeakPolarHBondContact OD1-CD1 3.48Å
380E87.8Confident87.5Confident126 Ų12668.6 Ų68.659%0.58937%0.372SS*.Hα-helixtrans-67.2-40.1176.3-6078.5-166.800112.1S378 Q383 S384S378-E380 VanDerWaalsContact CB-OE2 3.25Å; S378-E380 WeakPolarHBondContact CB-OE2 3.4Å; S378-E380 PolarHBondContact O-N 3.43Å; S378-E380 PolarHBondContact OG-N 2.68Å; S378-E380 PolarHBondContact OG-OE2 2.87Å; E380-Q383 WeakPolarHBondContact O-CB 3.3Å; E380-Q383 PolarHBondContact O-N 3.21Å; E380-S384 PolarHBondContact O-N 2.97Å
381D88Confident87.4Confident73 Ų7365.8 Ų65.839%0.3936%0.358SS..Hα-helixtrans-62.6-45.7177.6-63.8-34000110.5C377 S378 Q383 S384 I385C377-D381 HydrophobicContact CB-CB 4.16Å; S378-D381 PolarHBondContact N-OD2 3.2Å; S378-D381 PolarHBondContact O-N 3Å; S378-D381 PolarHBondContact OG-N 3.25Å; S378-D381 PolarHBondContact OG-OD2 3.24Å; D381-Q383 VanDerWaalsContact C-N 3.28Å; D381-Q383 PolarHBondContact O-N 2.86Å; D381-S384 WeakPolarHBondContact O-CB 3.47Å; D381-S384 PolarHBondContact O-N 3.34Å; D381-S384 VanDerWaalsContact O-N 3.15Å; D381-S384 PolarHBondContact O-OG 2.96Å; D381-I385 WeakPolarHBondContact O-CD1 3.31Å; D381-I385 WeakPolarHBondContact O-CG1 3.45Å; D381-I385 PolarHBondContact O-N 3.34Å
382L87.7Confident87.4Confident0 Ų066.4 Ų66.40%036%0.36CS..Hα-helixtrans-67.5-29.6177.1-63.9179.7000112.6F364 L374 C377 S378 M387 R392 V395 L396F364-L382 HydrophobicContact CE1-CD2 4.17Å; F364-L382 HydrophobicContact CZ-CD2 4.48Å; L374-L382 HydrophobicContact CD1-CD2 4.11Å; C377-L382 HydrophobicContact CB-CD2 4.13Å; C377-L382 HydrophobicContact CB-CG 4.28Å; S378-L382 WeakPolarHBondContact O-CG 3.48Å; S378-L382 PolarHBondContact O-N 3.39Å; L382-M387 HydrophobicContact CB-CE 3.59Å; L382-M387 HydrophobicContact CD1-CE 3.75Å; L382-M387 HydrophobicContact CD2-CE 3.67Å; L382-M387 HydrophobicContact CG-CE 3.85Å; L382-M387 WeakPolarHBondContact O-CB 3.49Å; L382-M387 PolarHBondContact O-N 3.11Å; L382-R392 HydrophobicContact CB-CG 3.77Å; L382-R392 HydrophobicContact CD1-CG 4.07Å; L382-V395 HydrophobicContact CD1-CB 4.38Å; L382-V395 HydrophobicContact CD1-CG1 3.97Å; L382-L396 HydrophobicContact CD1-CD1 4.39Å; L382-L396 HydrophobicContact CD1-CD2 3.71Å; L382-L396 HydrophobicContact CD1-CG 3.74Å
383Q86.4Confident87.4Confident114 Ų11466.7 Ų66.753%0.53336%0.359SS..Hα-helixtrans-69.2-37.7172-176.6173.21.900112D379 E380 D381 I385 Q386D379-Q383 WeakPolarHBondContact O-CB 3.28Å; D379-Q383 PolarHBondContact O-N 2.89Å; E380-Q383 WeakPolarHBondContact O-CB 3.3Å; E380-Q383 PolarHBondContact O-N 3.21Å; D381-Q383 VanDerWaalsContact C-N 3.28Å; D381-Q383 PolarHBondContact O-N 2.86Å; Q383-I385 PolarHBondContact O-N 3.06Å; Q383-Q386 PolarHBondContact O-N 2.83Å
384S84.5Confident87.5Confident92 Ų9269.2 Ų69.264%0.64336%0.364SS*.Hα-helixtrans-61.8-29.8177.181.50000112.5E380 D381 Q386E380-S384 PolarHBondContact O-N 2.97Å; D381-S384 WeakPolarHBondContact O-CB 3.47Å; D381-S384 PolarHBondContact O-N 3.34Å; D381-S384 VanDerWaalsContact O-N 3.15Å; D381-S384 PolarHBondContact O-OG 2.96Å; S384-Q386 PolarHBondContact O-N 2.88Å
385I83.8Confident87.5Confident22 Ų2269.3 Ų69.311%0.11336%0.364CS..THydrogen-bonded Turntrans-81.16.9178-60.9162.3000112.1I363 I369 D381 Q383 M387I363-I385 HydrophobicContact CG2-CG2 3.13Å; I369-I385 HydrophobicContact CD1-CD1 3.38Å; D381-I385 WeakPolarHBondContact O-CD1 3.31Å; D381-I385 WeakPolarHBondContact O-CG1 3.45Å; D381-I385 PolarHBondContact O-N 3.34Å; Q383-I385 PolarHBondContact O-N 3.06Å; I385-M387 VanDerWaalsContact C-N 3.28Å; I385-M387 PolarHBondContact O-N 3.28Å
386Q79.4Confident87.6Confident175 Ų17570.5 Ų70.582%0.81837%0.37SS*.THydrogen-bonded Turntrans62.427.8-179.7-54.8-175.6-15.300114.4Q383 S384Q383-Q386 PolarHBondContact O-N 2.83Å; S384-Q386 PolarHBondContact O-N 2.88Å
387M85.1Confident87.8Confident11 Ų1167.4 Ų67.45%0.05436%0.355CS..  trans-77.6132.5174.7-170.116543.600111.2F360 F364 L382 I385 P391 R392 V395F360-M387 HydrophobicContact CD1-CG 4.14Å; F360-M387 HydrophobicContact CD1-SD 4.01Å; F360-M387 HydrophobicContact CE1-CG 3.9Å; F360-M387 HydrophobicContact CE1-SD 4.23Å; F360-M387 HydrophobicContact CG-SD 4.33Å; F364-M387 HydrophobicContact CZ-CE 4.49Å; L382-M387 HydrophobicContact CB-CE 3.59Å; L382-M387 HydrophobicContact CD1-CE 3.75Å; L382-M387 HydrophobicContact CD2-CE 3.67Å; L382-M387 HydrophobicContact CG-CE 3.85Å; L382-M387 WeakPolarHBondContact O-CB 3.49Å; L382-M387 PolarHBondContact O-N 3.11Å; I385-M387 VanDerWaalsContact C-N 3.28Å; I385-M387 PolarHBondContact O-N 3.28Å; M387-P391 HydrophobicContact CG-CB 3.99Å; M387-P391 HydrophobicContact SD-CB 4.01Å; M387-R392 HydrophobicContact CE-CB 3.96Å; M387-R392 HydrophobicContact CE-CG 4.09Å; M387-R392 HydrophobicContact CG-CB 4.18Å; M387-V395 HydrophobicContact CE-CB 4.32Å; M387-V395 HydrophobicContact CE-CG2 4.09Å; M387-V395 HydrophobicContact SD-CG2 4Å
388Q86Confident88Confident150 Ų15066.6 Ų66.670%0.70135%0.349SS*.  trans-65.5152.7178.5-62.9-179.6-100111.7G390 P391 R392Q388-G390 PolarHBondContact O-N 3.37Å; Q388-G390 VanDerWaalsContact O-N 3.11Å; Q388-P391 WeakPolarHBondContact O-CD 3.37Å; Q388-R392 WeakPolarHBondContact O-CB 3.49Å; Q388-R392 PolarHBondContact O-N 3.07Å
389L83.9Confident88.2Confident95 Ų9564.7 Ų64.750%0.49734%0.336SS..Hα-helixtrans-55.1-34.8-173.1-172.466.2000114.1K393L389-K393 WeakPolarHBondContact O-CG 3.39Å; L389-K393 PolarHBondContact O-N 2.82Å
390G88.2Confident88.3Confident51 Ų5166.8 Ų66.853%0.52635%0.347SS..Hα-helixtrans-67.6-64.9179.900000113Q388 R392 K393 K394Q388-G390 PolarHBondContact O-N 3.37Å; Q388-G390 VanDerWaalsContact O-N 3.11Å; G390-R392 PolarHBondContact O-N 2.95Å; G390-K393 PolarHBondContact O-N 3.16Å; G390-K394 PolarHBondContact O-N 3.25Å; G390-K394 VanDerWaalsContact O-N 3.15Å
391P89.6Confident88.4Confident29 Ų2967.9 Ų67.919%0.18835%0.346CS..Hα-helixtrans-53.4-38.5174.9-27.734.6000113L357 F360 M387 Q388 K393 K394 V395L357-P391 HydrophobicContact CD2-CB 4.13Å; F360-P391 HydrophobicContact CD2-CB 4.44Å; F360-P391 HydrophobicContact CE1-CB 4.2Å; F360-P391 HydrophobicContact CE1-CG 4.46Å; F360-P391 HydrophobicContact CE2-CB 3.57Å; F360-P391 HydrophobicContact CE2-CG 3.9Å; F360-P391 HydrophobicContact CZ-CB 3.44Å; F360-P391 VanDerWaalsContact CZ-CB 3.44Å; F360-P391 HydrophobicContact CZ-CG 3.51Å; M387-P391 HydrophobicContact CG-CB 3.99Å; M387-P391 HydrophobicContact SD-CB 4.01Å; Q388-P391 WeakPolarHBondContact O-CD 3.37Å; P391-K393 PolarHBondContact O-N 3.39Å; P391-K394 WeakPolarHBondContact O-CA 3.49Å; P391-K394 WeakPolarHBondContact O-CB 3.37Å; P391-K394 PolarHBondContact O-N 3.13Å; P391-K394 VanDerWaalsContact O-N 3.09Å; P391-V395 WeakPolarHBondContact O-CG2 3.37Å; P391-V395 PolarHBondContact O-N 3.41Å
392R89.3Confident88.6Confident26 Ų2669 Ų6910%0.09834%0.344CS..Hα-helixtrans-57.4-49.4177-172.417582.6-174.322.3113.3D379 L382 M387 Q388 G390 K394 V395 L396D379-R392 WeakPolarHBondContact OD1-CD 3.3Å; D379-R392 WeakPolarHBondContact OD1-CG 3.26Å; D379-R392 IonicContact OD1-CZ 2.79Å; D379-R392 IonicContact OD1-NE 3.67Å; D379-R392 PolarHBondContact OD1-NE 2.92Å; D379-R392 IonicContact OD1-NH2 3.66Å; D379-R392 PolarHBondContact OD1-NH2 3.09Å; D379-R392 IonicContact OD2-CZ 3.97Å; D379-R392 IonicContact OD2-NE 2.72Å; D379-R392 IonicContact OD2-NH2 3.43Å; D379-R392 PolarHBondContact OD2-NH2 3.35Å; L382-R392 HydrophobicContact CB-CG 3.77Å; L382-R392 HydrophobicContact CD1-CG 4.07Å; M387-R392 HydrophobicContact CE-CB 3.96Å; M387-R392 HydrophobicContact CE-CG 4.09Å; M387-R392 HydrophobicContact CG-CB 4.18Å; Q388-R392 WeakPolarHBondContact O-CB 3.49Å; Q388-R392 PolarHBondContact O-N 3.07Å; G390-R392 PolarHBondContact O-N 2.95Å; R392-K394 VanDerWaalsContact C-N 3.28Å; R392-K394 PolarHBondContact O-N 3.41Å; R392-V395 PolarHBondContact O-N 3.45Å; R392-L396 WeakPolarHBondContact O-CG 3.36Å; R392-L396 PolarHBondContact O-N 3.45Å
393K90.9Very high88.7Confident128 Ų12872.6 Ų72.656%0.55736%0.36SS*.Hα-helixtrans-63.5-35175.1-74.3179.9178-175.10112.4L389 G390 P391 N397L389-K393 WeakPolarHBondContact O-CG 3.39Å; L389-K393 PolarHBondContact O-N 2.82Å; G390-K393 PolarHBondContact O-N 3.16Å; P391-K393 PolarHBondContact O-N 3.39Å; K393-N397 WeakPolarHBondContact O-CB 3.46Å; K393-N397 PolarHBondContact O-N 2.98Å
394K91.8Very high89Confident90 Ų9073.1 Ų73.139%0.39136%0.362SS..Hα-helixtrans-66-45.1177.8-163.6-180-176.5-166.70111.3Q355 L357 G390 P391 R392 N397 A398Q355-K394 WeakPolarHBondContact O-CE 3.49Å; Q355-K394 PolarHBondContact O-NZ 3.06Å; L357-K394 HydrophobicContact CD1-CB 4.38Å; L357-K394 HydrophobicContact CD1-CD 4.2Å; L357-K394 HydrophobicContact CD1-CG 4.23Å; L357-K394 HydrophobicContact CD2-CD 4.13Å; L357-K394 HydrophobicContact CG-CD 4.2Å; G390-K394 PolarHBondContact O-N 3.25Å; G390-K394 VanDerWaalsContact O-N 3.15Å; P391-K394 WeakPolarHBondContact O-CA 3.49Å; P391-K394 WeakPolarHBondContact O-CB 3.37Å; P391-K394 PolarHBondContact O-N 3.13Å; P391-K394 VanDerWaalsContact O-N 3.09Å; R392-K394 VanDerWaalsContact C-N 3.28Å; R392-K394 PolarHBondContact O-N 3.41Å; K394-N397 PolarHBondContact O-N 2.83Å; K394-A398 WeakPolarHBondContact O-CB 3.34Å; K394-A398 PolarHBondContact O-N 2.89Å
395V90.9Very high89.2Confident1 Ų173.2 Ų73.21%0.00636%0.359CS..Hα-helixtrans-59-50.8174171.70000110.7L357 L374 L382 M387 P391 R392 N397 A398 I399L357-V395 HydrophobicContact CD1-CG2 3.52Å; L374-V395 HydrophobicContact CD1-CG1 4.02Å; L382-V395 HydrophobicContact CD1-CB 4.38Å; L382-V395 HydrophobicContact CD1-CG1 3.97Å; M387-V395 HydrophobicContact CE-CB 4.32Å; M387-V395 HydrophobicContact CE-CG2 4.09Å; M387-V395 HydrophobicContact SD-CG2 4Å; P391-V395 WeakPolarHBondContact O-CG2 3.37Å; P391-V395 PolarHBondContact O-N 3.41Å; R392-V395 PolarHBondContact O-N 3.45Å; V395-N397 VanDerWaalsContact C-N 3.35Å; V395-N397 PolarHBondContact O-N 3.18Å; V395-A398 PolarHBondContact O-N 2.96Å; V395-I399 HydrophobicContact CG1-CD1 3.59Å; V395-I399 HydrophobicContact CG1-CG1 4.33Å; V395-I399 VanDerWaalsContact O-CG1 3.28Å; V395-I399 WeakPolarHBondContact O-CG1 3.21Å; V395-I399 PolarHBondContact O-N 3.31Å
396L91.4Very high89.3Confident36 Ų3677.4 Ų77.419%0.18838%0.381CS..Hα-helixtrans-61.2-40.7179.4-70.8173.3000112.8D379 L382 R392 I399 N400D379-L396 HydrophobicContact CB-CD1 3.88Å; D379-L396 VanDerWaalsContact OD1-CD1 3.29Å; D379-L396 WeakPolarHBondContact OD1-CD1 3.48Å; L382-L396 HydrophobicContact CD1-CD1 4.39Å; L382-L396 HydrophobicContact CD1-CD2 3.71Å; L382-L396 HydrophobicContact CD1-CG 3.74Å; R392-L396 WeakPolarHBondContact O-CG 3.36Å; R392-L396 PolarHBondContact O-N 3.45Å; L396-I399 HydrophobicContact CD2-CD1 4.45Å; L396-I399 PolarHBondContact O-N 3.18Å; L396-N400 WeakPolarHBondContact O-CB 3.24Å; L396-N400 VanDerWaalsContact O-CG 3.28Å; L396-N400 PolarHBondContact O-N 2.82Å; L396-N400 PolarHBondContact O-ND2 3.18Å
397N93.2Very high89.8Confident81 Ų8176.6 Ų76.643%0.43338%0.377SS..Hα-helixtrans-64.7-43.3175.6-166.2-25.6000111.3K393 K394 V395 N400 R401K393-N397 WeakPolarHBondContact O-CB 3.46Å; K393-N397 PolarHBondContact O-N 2.98Å; K394-N397 PolarHBondContact O-N 2.83Å; V395-N397 VanDerWaalsContact C-N 3.35Å; V395-N397 PolarHBondContact O-N 3.18Å; N397-N400 PolarHBondContact O-N 3.01Å; N397-R401 WeakPolarHBondContact O-CG 3.37Å; N397-R401 PolarHBondContact O-N 2.79Å; N397-R401 PolarHBondContact OD1-NE 3.25Å
398A92.6Very high89.9Confident4 Ų483.3 Ų83.33%0.03341%0.408CS..Hα-helixtrans-63-41.9176.300000112.5F351 Q355 K394 V395 R401 R402F351-A398 HydrophobicContact CE2-CB 4.37Å; F351-A398 HydrophobicContact CZ-CB 3.77Å; Q355-A398 HydrophobicContact CG-CB 3.67Å; K394-A398 WeakPolarHBondContact O-CB 3.34Å; K394-A398 PolarHBondContact O-N 2.89Å; V395-A398 PolarHBondContact O-N 2.96Å; A398-R401 PolarHBondContact O-N 2.86Å; A398-R402 WeakPolarHBondContact O-CB 3.39Å; A398-R402 PolarHBondContact O-N 2.89Å
399I92.3Very high89.8Confident2 Ų281.2 Ų81.21%0.0141%0.408CS..Hα-helixtrans-57.9-48.8173.1-71.9161.4000110.2L374 L375 V395 L396 R401 R402 K403L374-I399 HydrophobicContact CD1-CD1 4.26Å; L374-I399 HydrophobicContact CG-CD1 4.06Å; L374-I399 HydrophobicContact CG-CG1 4.46Å; L374-I399 WeakPolarHBondContact O-CD1 3.25Å; L375-I399 HydrophobicContact CD2-CB 4.3Å; L375-I399 HydrophobicContact CD2-CG1 4.31Å; L375-I399 HydrophobicContact CD2-CG2 3.82Å; V395-I399 HydrophobicContact CG1-CD1 3.59Å; V395-I399 HydrophobicContact CG1-CG1 4.33Å; V395-I399 VanDerWaalsContact O-CG1 3.28Å; V395-I399 WeakPolarHBondContact O-CG1 3.21Å; V395-I399 PolarHBondContact O-N 3.31Å; L396-I399 HydrophobicContact CD2-CD1 4.45Å; L396-I399 PolarHBondContact O-N 3.18Å; I399-R401 PolarHBondContact O-N 3.37Å; I399-R402 PolarHBondContact O-N 3.31Å; I399-K403 HydrophobicContact CG2-CD 4.12Å; I399-K403 HydrophobicContact CG2-CG 4.47Å; I399-K403 WeakPolarHBondContact O-CG 3.28Å; I399-K403 PolarHBondContact O-N 2.89Å
400N91.9Very high89.5Confident96 Ų9679.8 Ų79.851%0.51342%0.416SS..Hα-helixtrans-63.9-42.1-179.3-73.7-27.1000112.4L396 N397 K403 Q404L396-N400 WeakPolarHBondContact O-CB 3.24Å; L396-N400 VanDerWaalsContact O-CG 3.28Å; L396-N400 PolarHBondContact O-N 2.82Å; L396-N400 PolarHBondContact O-ND2 3.18Å; N397-N400 PolarHBondContact O-N 3.01Å; N400-K403 PolarHBondContact O-N 2.97Å; N400-Q404 WeakPolarHBondContact O-CB 3.38Å; N400-Q404 PolarHBondContact O-N 2.88Å
401R90.3Very high89.2Confident150 Ų15086 Ų8657%0.56643%0.431SS*.Hα-helixtrans-60.2-46.4173.9-72.6174.7-175.8-166.9-6.2111.4N397 A398 I399 Q404 V405N397-R401 WeakPolarHBondContact O-CG 3.37Å; N397-R401 PolarHBondContact O-N 2.79Å; N397-R401 PolarHBondContact OD1-NE 3.25Å; A398-R401 PolarHBondContact O-N 2.86Å; I399-R401 PolarHBondContact O-N 3.37Å; R401-Q404 PolarHBondContact O-N 2.94Å; R401-V405 WeakPolarHBondContact O-CG2 3.21Å; R401-V405 PolarHBondContact O-N 3.46Å
402R91.4Very high88.5Confident96 Ų9692.9 Ų92.936%0.36247%0.466SS..Hα-helixtrans-62.1-44.3177.8-174.5171.4178.687.4-0.1111.5F351 L375 A398 I399 Q404 V405 L406F351-R402 HydrophobicContact CE2-CB 4.32Å; L375-R402 HydrophobicContact CD2-CB 4.49Å; L375-R402 HydrophobicContact CD2-CG 4.46Å; A398-R402 WeakPolarHBondContact O-CB 3.39Å; A398-R402 PolarHBondContact O-N 2.89Å; I399-R402 PolarHBondContact O-N 3.31Å; R402-Q404 VanDerWaalsContact C-N 3.32Å; R402-Q404 PolarHBondContact O-N 3.02Å; R402-V405 PolarHBondContact O-N 3.43Å; R402-L406 HydrophobicContact CG-CD1 4.33Å; R402-L406 WeakPolarHBondContact O-CG 3.22Å; R402-L406 PolarHBondContact O-N 3.35Å
403K90.7Very high88Confident76 Ų7697 Ų9733%0.3349%0.494SS..Hα-helixtrans-58.6-42.7174.5-75.4179.2178.6176.60112.2L375 I399 N400 L406 Q407L375-K403 HydrophobicContact CD2-CG 4.34Å; L375-K403 WeakPolarHBondContact O-CE 3.5Å; L375-K403 PolarHBondContact O-NZ 3.38Å; I399-K403 HydrophobicContact CG2-CD 4.12Å; I399-K403 HydrophobicContact CG2-CG 4.47Å; I399-K403 WeakPolarHBondContact O-CG 3.28Å; I399-K403 PolarHBondContact O-N 2.89Å; N400-K403 PolarHBondContact O-N 2.97Å; K403-L406 PolarHBondContact O-N 3.03Å; K403-Q407 WeakPolarHBondContact O-CG 3.4Å; K403-Q407 PolarHBondContact O-N 3.31Å
404Q91Very high87.3Confident124 Ų12498.5 Ų98.558%0.57951%0.508SS*.Hα-helixtrans-63.8-42.5178.2-171.1176.511.800111.8N400 R401 R402 Q407 Q408N400-Q404 WeakPolarHBondContact O-CB 3.38Å; N400-Q404 PolarHBondContact O-N 2.88Å; R401-Q404 PolarHBondContact O-N 2.94Å; R402-Q404 VanDerWaalsContact C-N 3.32Å; R402-Q404 PolarHBondContact O-N 3.02Å; Q404-Q407 PolarHBondContact O-N 2.99Å; Q404-Q408 PolarHBondContact O-N 3.22Å
405V88.9Confident86.4Confident94 Ų9499.9 Ų99.957%0.5752%0.524SS*.Hα-helixtrans-65.7-37.5175.6173.90000111.7R401 R402 Q407 Q408 P409R401-V405 WeakPolarHBondContact O-CG2 3.21Å; R401-V405 PolarHBondContact O-N 3.46Å; R402-V405 PolarHBondContact O-N 3.43Å; V405-Q407 VanDerWaalsContact C-N 3.3Å; V405-Q407 PolarHBondContact O-N 3.32Å; V405-Q408 CarbonylContact O-C 3.06Å; V405-Q408 PolarHBondContact O-N 3.22Å; V405-P409 WeakPolarHBondContact O-CA 3.21Å; V405-P409 VanDerWaalsContact O-N 3.09Å
406L86.8Confident85.1Confident110 Ų110105.7 Ų105.758%0.57656%0.564SS**Hα-helixtrans-66.3-32.3174.8-71.1173.2000112.4R402 K403R402-L406 HydrophobicContact CG-CD1 4.33Å; R402-L406 WeakPolarHBondContact O-CG 3.22Å; R402-L406 PolarHBondContact O-N 3.35Å; K403-L406 PolarHBondContact O-N 3.03Å
407Q89.1Confident83.1Confident159 Ų159114.8 Ų114.874%0.74361%0.612SS**Hα-helixtrans-75.9-32.1175-71.7176.68.700112.8K403 Q404 V405K403-Q407 WeakPolarHBondContact O-CG 3.4Å; K403-Q407 PolarHBondContact O-N 3.31Å; Q404-Q407 PolarHBondContact O-N 2.99Å; V405-Q407 VanDerWaalsContact C-N 3.3Å; V405-Q407 PolarHBondContact O-N 3.32Å
408Q87.9Confident82.6Confident151 Ų151116.5 Ų116.571%0.70662%0.621SS**SBendtrans-131.378.6179.3-65.8-174.2-3.300109.9Q404 V405 G410Q404-Q408 PolarHBondContact O-N 3.22Å; V405-Q408 CarbonylContact O-C 3.06Å; V405-Q408 PolarHBondContact O-N 3.22Å; Q408-G410 PolarHBondContact O-N 3.21Å
409P82.9Confident82.1Confident106 Ų106122.4 Ų122.469%0.68865%0.652SS**PPolyproline II helixtrans-63122.1175.525.6-32.4000108.6V405V405-P409 WeakPolarHBondContact O-CA 3.21Å; V405-P409 VanDerWaalsContact O-N 3.09Å
410G79.2Confident81.5Confident65 Ų65129.1 Ų129.167%0.6769%0.687SS**PPolyproline II helixtrans-61.5157.1175.600000111.4Q408 L412Q408-G410 PolarHBondContact O-N 3.21Å; G410-L412 PolarHBondContact O-N 3.17Å
411Q80.6Confident80.9Confident181 Ų181131 Ų13185%0.84670%0.698SS**PPolyproline II helixtrans-71118.8174.7-168.1168.216.700109.2V413Q411-V413 HydrophobicContact CG-CG2 4.4Å; Q411-V413 PolarHBondContact O-N 3.18Å
412L75.5Confident80.3Confident175 Ų175129.8 Ų129.892%0.91671%0.706SS**PPolyproline II helixtrans-68.1119.6168.7-73.5163.8000107.6G410G410-L412 PolarHBondContact O-N 3.17Å
413V78.4Confident79.5Confident113 Ų113132.1 Ų132.169%0.68573%0.729SS**  trans-116.3126174.6-174.60000106.6Q411 T415Q411-V413 HydrophobicContact CG-CG2 4.4Å; Q411-V413 PolarHBondContact O-N 3.18Å; V413-T415 PolarHBondContact O-N 3.47Å; V413-T415 VanDerWaalsContact O-N 3.14Å
414D77.2Confident78.8Confident159 Ų159136.1 Ų136.185%0.8576%0.757SS**  trans-61.4117.1173.1-72.6-26.1000108.5S416D414-S416 PolarHBondContact O-N 3.01Å
415T71.8Confident77.8Confident119 Ų119137 Ų13773%0.7377%0.771SS**  trans-69.8101.6169.651.80000106.9V413 L417V413-T415 PolarHBondContact O-N 3.47Å; V413-T415 VanDerWaalsContact O-N 3.14Å; T415-L417 VanDerWaalsContact C-N 3.29Å; T415-L417 PolarHBondContact O-N 3.26Å
416S64.2Low76.9Confident122 Ų122140.6 Ų140.685%0.85379%0.788SS**  trans-65.194.2166.456.80000107.8D414D414-S416 PolarHBondContact O-N 3.01Å
417L49.1Very low76Confident227 Ų227143.4 Ų143.4100%1.18881%0.807SS**  trans-84.60171.7-91.1159000110.3T415T415-L417 VanDerWaalsContact C-N 3.29Å; T415-L417 PolarHBondContact O-N 3.26Å

Retrieved 417 of 417 residues in 571.9 ms (Link to these results)

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