A0A087XF77_POEFO Loading...

Histone-lysine N-methyltransferase EZH2

AlphaFold DB , UniProt , Accession A0A087XF77, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 759 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
1M34.2Very low40.5Very low241 Ų241133.8 Ų133.8100%1.18773%0.728SS**  0125.20-74168.416800107.8
2V30Very low43.1Very low129 Ų129131.3 Ų131.378%0.78272%0.723SS**  trans-102.2124.9173-179.10000107.2T4V2-T4 HydrophobicContact CG1-CG2 4.13Å; V2-T4 PolarHBondContact O-N 3.21Å
3L32.4Very low45.6Very low173 Ų173126.2 Ų126.291%0.90671%0.71SS**  trans-92.779.3178.5-75170.5000110.3G5L3-G5 PolarHBondContact O-N 3.05Å
4T37.3Very low48.2Very low130 Ų130121.4 Ų121.480%0.79869%0.687SS**  trans-74.270.7166.945.50000110.6V2V2-T4 HydrophobicContact CG1-CG2 4.13Å; V2-T4 PolarHBondContact O-N 3.21Å
5G29.7Very low50.3Low73 Ų73115.5 Ų115.575%0.75365%0.65SS**  trans-98.165.8178.600000113.1L3 R7L3-G5 PolarHBondContact O-N 3.05Å; G5-R7 PolarHBondContact O-N 3.04Å
6K35.9Very low52.2Low215 Ų215113.2 Ų113.294%0.93563%0.63SS**  trans-74.9112.6164.2-84.3-168174.5-171.30108.7
7R34.2Very low54.1Low223 Ų223118.2 Ų118.284%0.84264%0.638SS**  trans-111.1127.7157.4-80.5-170.9172.5-168.2-2.4108.5G5 D9G5-R7 PolarHBondContact O-N 3.04Å; R7-D9 PolarHBondContact O-N 3.22Å
8S43.3Very low55.8Low78 Ų78115.4 Ų115.455%0.54562%0.616SS.*  trans-7940.4179-153.40000112.4K10 E190S8-K10 PolarHBondContact O-N 3.38Å; S8-K10 VanDerWaalsContact O-N 3.09Å; S8-E190 WeakPolarHBondContact CB-OE1 3.43Å; S8-E190 PolarHBondContact OG-OE1 3.43Å
9D45.3Very low57.4Low102 Ų102109.4 Ų109.455%0.54558%0.584SS.*  trans-82.191.2176.8-111.6-51000109.7R7 G11 K237R7-D9 PolarHBondContact O-N 3.22Å; D9-G11 PolarHBondContact O-N 2.72Å; D9-K237 IonicContact OD1-NZ 3.64Å; D9-K237 PolarHBondContact OD1-NZ 2.83Å
10K58Low58.8Low66 Ų66108 Ų10829%0.28757%0.573SS.*  trans-59.9108.6178.4-71.1-179.4-178.6177.60110.9S8 C14 W15 Y182 E186S8-K10 PolarHBondContact O-N 3.38Å; S8-K10 VanDerWaalsContact O-N 3.09Å; K10-C14 HydrophobicContact CB-CB 4.34Å; K10-W15 VanDerWaalsContact O-CD1 3.25Å; K10-W15 PolarHBondContact O-NE1 3.37Å; K10-W15 VanDerWaalsContact O-NE1 3.15Å; K10-Y182 PolarHBondContact NZ-OH 3.33Å; K10-E186 IonicContact NZ-OE1 2.65Å; K10-E186 PolarHBondContact NZ-OE1 3.2Å; K10-E186 IonicContact NZ-OE2 2.63Å; K10-E186 PolarHBondContact NZ-OE2 2.86Å
11G64.7Low60.1Low42 Ų42106 Ų10643%0.43357%0.567SS.*  trans-60.4155.9-176.300000113.8D9 A13 C14D9-G11 PolarHBondContact O-N 2.72Å; G11-A13 PolarHBondContact O-N 3.11Å; G11-C14 VanDerWaalsContact O-CB 3.26Å; G11-C14 WeakPolarHBondContact O-CB 3.46Å; G11-C14 PolarHBondContact O-N 3.07Å
12P72.3Confident62.6Low103 Ų10395.2 Ų95.267%0.66951%0.514SS*.Hα-helixtrans-54.6-32.2-167.3-29.835.9000115.9C14 W15 K16P12-C14 PolarHBondContact O-N 2.87Å; P12-W15 PolarHBondContact O-N 2.82Å; P12-K16 PolarHBondContact O-N 2.78Å; P12-K16 VanDerWaalsContact O-N 3.08Å
13A75.4Confident65.3Low66 Ų6689.2 Ų89.255%0.54548%0.477SS..Hα-helixtrans-65.1-24.4177.200000113.8G11 R17G11-A13 PolarHBondContact O-N 3.11Å; A13-R17 WeakPolarHBondContact O-CG 3.08Å; A13-R17 PolarHBondContact O-N 3.39Å
14C81.6Confident67.9Low58 Ų5885.8 Ų85.839%0.39246%0.458SS..Hα-helixtrans-68.8-51.2173.3-172.90000110.3K10 G11 P12 K16 R17 R18K10-C14 HydrophobicContact CB-CB 4.34Å; G11-C14 VanDerWaalsContact O-CB 3.26Å; G11-C14 WeakPolarHBondContact O-CB 3.46Å; G11-C14 PolarHBondContact O-N 3.07Å; P12-C14 PolarHBondContact O-N 2.87Å; C14-K16 PolarHBondContact O-N 3.4Å; C14-R17 PolarHBondContact O-N 3.27Å; C14-R17 VanDerWaalsContact O-N 3.12Å; C14-R18 PolarHBondContact O-N 2.96Å
15W80.6Confident70.3Confident33 Ų3384.3 Ų84.313%0.12544%0.438CS..Hα-helixtrans-57.8-46.3177.1-69.394.8000112.3K10 P12 R17 R18 V19 M179 I238 A241K10-W15 VanDerWaalsContact O-CD1 3.25Å; K10-W15 PolarHBondContact O-NE1 3.37Å; K10-W15 VanDerWaalsContact O-NE1 3.15Å; P12-W15 PolarHBondContact O-N 2.82Å; W15-R17 VanDerWaalsContact C-N 3.32Å; W15-R17 PolarHBondContact O-N 3.36Å; W15-R18 PolarHBondContact O-N 3.1Å; W15-R18 VanDerWaalsContact O-N 3.16Å; W15-V19 WeakPolarHBondContact O-CG2 3.22Å; W15-V19 PolarHBondContact O-N 3.47Å; W15-M179 HydrophobicContact CE3-CE 3.55Å; W15-M179 HydrophobicContact CZ3-CE 3.73Å; W15-I238 HydrophobicContact CZ3-CG1 4.13Å; W15-A241 HydrophobicContact CB-CB 3.67Å
16K80.8Confident73Confident79 Ų7981.2 Ų81.234%0.34340%0.404SS..Hα-helixtrans-54.3-44.3173.8-70.9-165.8-173.9-130.30113P12 C14 K20 S244 M245P12-K16 PolarHBondContact O-N 2.78Å; P12-K16 VanDerWaalsContact O-N 3.08Å; C14-K16 PolarHBondContact O-N 3.4Å; K16-K20 WeakPolarHBondContact O-CB 3.44Å; K16-K20 PolarHBondContact O-N 2.98Å; K16-S244 WeakPolarHBondContact CE-OG 3.4Å; K16-S244 VanDerWaalsContact NZ-CB 3.32Å; K16-S244 PolarHBondContact NZ-O 3.24Å; K16-S244 PolarHBondContact NZ-OG 3.05Å; K16-M245 HydrophobicContact CB-CG 4.28Å; K16-M245 HydrophobicContact CB-SD 3.83Å; K16-M245 HydrophobicContact CD-SD 4.09Å; K16-M245 HydrophobicContact CG-CG 4.21Å; K16-M245 HydrophobicContact CG-SD 4.06Å
17R83.8Confident75.4Confident199 Ų19976.7 Ų76.775%0.75138%0.381SS*.Hα-helixtrans-66.5-40.6178.1-73.1175.5-179.8-173.51.4112A13 C14 W15 K20 S21A13-R17 WeakPolarHBondContact O-CG 3.08Å; A13-R17 PolarHBondContact O-N 3.39Å; C14-R17 PolarHBondContact O-N 3.27Å; C14-R17 VanDerWaalsContact O-N 3.12Å; W15-R17 VanDerWaalsContact C-N 3.32Å; W15-R17 PolarHBondContact O-N 3.36Å; R17-K20 PolarHBondContact O-N 3.22Å; R17-S21 WeakPolarHBondContact O-CB 3.48Å; R17-S21 PolarHBondContact O-N 2.79Å
18R84.1Confident77.9Confident68 Ų6871.8 Ų71.826%0.25737%0.367SS..Hα-helixtrans-63.8-48.2176.3-163.981.1-177.497.515111.2C14 W15 K20 S21 E22 M179 Y182C14-R18 PolarHBondContact O-N 2.96Å; W15-R18 PolarHBondContact O-N 3.1Å; W15-R18 VanDerWaalsContact O-N 3.16Å; R18-K20 PolarHBondContact O-N 2.92Å; R18-S21 WeakPolarHBondContact O-CB 3.47Å; R18-S21 PolarHBondContact O-N 3.49Å; R18-S21 VanDerWaalsContact O-N 3.1Å; R18-E22 IonicContact CZ-OE1 2.68Å; R18-E22 IonicContact NH1-OE1 2.63Å; R18-E22 PolarHBondContact NH1-OE1 3.33Å; R18-E22 IonicContact NH2-OE1 2.7Å; R18-E22 PolarHBondContact NH2-OE1 2.9Å; R18-E22 PolarHBondContact O-N 2.92Å; R18-M179 HydrophobicContact CB-CE 4.31Å; R18-M179 HydrophobicContact CG-CE 4.17Å; R18-M179 HydrophobicContact CG-SD 4.17Å; R18-Y182 HydrophobicContact CG-CD1 3.78Å; R18-Y182 HydrophobicContact CG-CE1 3.66Å; R18-Y182 VanDerWaalsContact NE-CE2 3.28Å; R18-Y182 VanDerWaalsContact NE-CZ 3.26Å
19V86.1Confident79.9Confident1 Ų172.5 Ų72.51%0.00636%0.362CS..Hα-helixtrans-55-47.5174.2169.60000111.3W15 S21 Y23 L175 M179 A241 I242 M245W15-V19 WeakPolarHBondContact O-CG2 3.22Å; W15-V19 PolarHBondContact O-N 3.47Å; V19-S21 VanDerWaalsContact C-N 3.32Å; V19-S21 PolarHBondContact O-N 3.04Å; V19-Y23 WeakPolarHBondContact O-CB 3.41Å; V19-Y23 PolarHBondContact O-N 3.38Å; V19-L175 HydrophobicContact CG1-CD2 4.27Å; V19-M179 HydrophobicContact CG2-CE 3.73Å; V19-M179 HydrophobicContact CG2-CG 4.4Å; V19-M179 HydrophobicContact CG2-SD 3.89Å; V19-A241 HydrophobicContact CG2-CB 4.06Å; V19-I242 HydrophobicContact CG1-CG1 4.06Å; V19-I242 HydrophobicContact CG2-CG1 4.05Å; V19-M245 HydrophobicContact CG1-CB 4.35Å; V19-M245 HydrophobicContact CG1-CG 4.14Å
20K85.3Confident81.8Confident81 Ų8168.8 Ų68.835%0.35234%0.341SS..Hα-helixtrans-61.2-38177.2-167.1166.5-172.4161.20112.2K16 R17 R18 M24 E163 C164 M245K16-K20 WeakPolarHBondContact O-CB 3.44Å; K16-K20 PolarHBondContact O-N 2.98Å; R17-K20 PolarHBondContact O-N 3.22Å; R18-K20 PolarHBondContact O-N 2.92Å; K20-M24 WeakPolarHBondContact O-CB 3.35Å; K20-M24 VanDerWaalsContact O-CG 3.23Å; K20-M24 WeakPolarHBondContact O-CG 3.47Å; K20-M24 PolarHBondContact O-N 3.4Å; K20-E163 IonicContact NZ-OE2 3.9Å; K20-E163 PolarHBondContact NZ-OE2 3.33Å; K20-C164 WeakPolarHBondContact CE-SG 3.43Å; K20-M245 HydrophobicContact CB-CE 4.14Å; K20-M245 HydrophobicContact CD-CE 4.04Å; K20-M245 HydrophobicContact CG-CE 4.28Å
21S86.7Confident83Confident65 Ų6575 Ų7546%0.45536%0.363SS..Hα-helixtrans-70-50.7178-174.70000112.5R17 R18 V19 M24 R25R17-S21 WeakPolarHBondContact O-CB 3.48Å; R17-S21 PolarHBondContact O-N 2.79Å; R18-S21 WeakPolarHBondContact O-CB 3.47Å; R18-S21 PolarHBondContact O-N 3.49Å; R18-S21 VanDerWaalsContact O-N 3.1Å; V19-S21 VanDerWaalsContact C-N 3.32Å; V19-S21 PolarHBondContact O-N 3.04Å; S21-M24 PolarHBondContact O-N 2.79Å; S21-R25 PolarHBondContact O-N 2.96Å
22E86.8Confident84Confident16 Ų1679.5 Ų79.58%0.07537%0.371CS..Hα-helixtrans-67.3-39.7-179-69.7-57137.900112.2R18 M24 R25 L26 L175 M179R18-E22 IonicContact CZ-OE1 2.68Å; R18-E22 IonicContact NH1-OE1 2.63Å; R18-E22 PolarHBondContact NH1-OE1 3.33Å; R18-E22 IonicContact NH2-OE1 2.7Å; R18-E22 PolarHBondContact NH2-OE1 2.9Å; R18-E22 PolarHBondContact O-N 2.92Å; E22-M24 VanDerWaalsContact C-N 3.32Å; E22-M24 PolarHBondContact O-N 2.78Å; E22-R25 PolarHBondContact O-N 3.1Å; E22-R25 IonicContact OE1-NE 3.61Å; E22-R25 IonicContact OE2-CZ 3.21Å; E22-R25 IonicContact OE2-NE 2.65Å; E22-R25 PolarHBondContact OE2-NE 2.85Å; E22-R25 IonicContact OE2-NH2 2.93Å; E22-R25 PolarHBondContact OE2-NH2 3.31Å; E22-L26 WeakPolarHBondContact O-CB 3.36Å; E22-L26 WeakPolarHBondContact O-CG 3.42Å; E22-L26 PolarHBondContact O-N 2.68Å; E22-L175 HydrophobicContact CB-CD1 4.05Å; E22-M179 HydrophobicContact CG-SD 4.37Å
23Y87.3Confident84.6Confident3 Ų382.3 Ų82.31%0.01237%0.368CS..Hα-helixtrans-56.6-44.3170.9165.3-98.1000112V19 R27 G165 F166 I167 I171 F246V19-Y23 WeakPolarHBondContact O-CB 3.41Å; V19-Y23 PolarHBondContact O-N 3.38Å; Y23-R27 WeakPolarHBondContact O-CB 3.25Å; Y23-R27 PolarHBondContact O-N 2.87Å; Y23-R27 WeakPolarHBondContact OH-CD 3.36Å; Y23-G165 PolarHBondContact OH-O 2.8Å; Y23-F166 PolarHBondContact OH-O 2.91Å; Y23-I167 HydrophobicContact CE2-CB 4.22Å; Y23-I167 HydrophobicContact CE2-CG1 4.42Å; Y23-I171 HydrophobicContact CD2-CG2 3.94Å; Y23-I171 HydrophobicContact CE2-CG2 4.14Å; Y23-F246 HydrophobicContact CD2-CZ 4.03Å; Y23-F246 HydrophobicContact CE2-CZ 4.15Å; Y23-F246 HydrophobicContact CG-CZ 4.27Å
24M85.9Confident85.1Confident100 Ų10083.9 Ų83.949%0.49336%0.36SS..Hα-helixtrans-67.2-40.3177.8-74.4-69.6-74.900112.2K20 S21 E22 Q28K20-M24 WeakPolarHBondContact O-CB 3.35Å; K20-M24 VanDerWaalsContact O-CG 3.23Å; K20-M24 WeakPolarHBondContact O-CG 3.47Å; K20-M24 PolarHBondContact O-N 3.4Å; S21-M24 PolarHBondContact O-N 2.79Å; E22-M24 VanDerWaalsContact C-N 3.32Å; E22-M24 PolarHBondContact O-N 2.78Å; M24-Q28 WeakPolarHBondContact O-CB 3.27Å; M24-Q28 PolarHBondContact O-N 2.65Å
25R89Confident85.5Confident100 Ų10083.3 Ų83.338%0.37736%0.359SS..Hα-helixtrans-60-53.4174.3-175-173.562.775-1111.3S21 E22 R27 Q28 Q29S21-R25 PolarHBondContact O-N 2.96Å; E22-R25 PolarHBondContact O-N 3.1Å; E22-R25 IonicContact OE1-NE 3.61Å; E22-R25 IonicContact OE2-CZ 3.21Å; E22-R25 IonicContact OE2-NE 2.65Å; E22-R25 PolarHBondContact OE2-NE 2.85Å; E22-R25 IonicContact OE2-NH2 2.93Å; E22-R25 PolarHBondContact OE2-NH2 3.31Å; R25-R27 PolarHBondContact O-N 3.31Å; R25-Q28 PolarHBondContact O-N 3.37Å; R25-Q29 VanDerWaalsContact NH1-OE1 3.09Å; R25-Q29 WeakPolarHBondContact O-CB 3.36Å; R25-Q29 PolarHBondContact O-N 2.68Å
26L86.4Confident85.8Confident8 Ų887.2 Ų87.24%0.04238%0.383CS..Hα-helixtrans-60-44.7179.1-70.7170.6000111.6E22 Q28 Q29 K30 E174 L175E22-L26 WeakPolarHBondContact O-CB 3.36Å; E22-L26 WeakPolarHBondContact O-CG 3.42Å; E22-L26 PolarHBondContact O-N 2.68Å; L26-Q28 VanDerWaalsContact C-N 3.35Å; L26-Q28 PolarHBondContact O-N 3.07Å; L26-Q29 PolarHBondContact O-N 2.89Å; L26-K30 WeakPolarHBondContact O-CB 3.44Å; L26-K30 PolarHBondContact O-N 2.98Å; L26-E174 HydrophobicContact CD1-CB 4.27Å; L26-E174 HydrophobicContact CD2-CB 4.44Å; L26-L175 HydrophobicContact CD1-CB 4.11Å; L26-L175 HydrophobicContact CD1-CD1 4.31Å
27R85.9Confident86.3Confident120 Ų12088.4 Ų88.445%0.45339%0.389SS..Hα-helixtrans-61.3-40.8176.9-177.5175.7178.9-127.11.9112.1Y23 R25 R31Y23-R27 WeakPolarHBondContact O-CB 3.25Å; Y23-R27 PolarHBondContact O-N 2.87Å; Y23-R27 WeakPolarHBondContact OH-CD 3.36Å; R25-R27 PolarHBondContact O-N 3.31Å; R27-R31 VanDerWaalsContact O-CB 3.23Å; R27-R31 WeakPolarHBondContact O-CB 3.33Å; R27-R31 PolarHBondContact O-N 2.65Å
28Q85.7Confident86.7Confident119 Ų11982 Ų8256%0.55637%0.372SS*.Hα-helixtrans-69.1-43.4176-173.9170.16.300111.7M24 R25 L26 R31 F32M24-Q28 WeakPolarHBondContact O-CB 3.27Å; M24-Q28 PolarHBondContact O-N 2.65Å; R25-Q28 PolarHBondContact O-N 3.37Å; L26-Q28 VanDerWaalsContact C-N 3.35Å; L26-Q28 PolarHBondContact O-N 3.07Å; Q28-R31 PolarHBondContact O-N 2.69Å; Q28-F32 HydrophobicContact CG-CD2 3.98Å; Q28-F32 HydrophobicContact CG-CE2 3.63Å; Q28-F32 VanDerWaalsContact O-CD2 3.26Å; Q28-F32 WeakPolarHBondContact O-CD2 3.22Å; Q28-F32 PolarHBondContact O-N 2.69Å
29Q86.1Confident87.2Confident93 Ų9385 Ų8544%0.43539%0.387SS..Hα-helixtrans-62.6-45.8177.6-169.31749.200111.9R25 L26 F32 R33R25-Q29 VanDerWaalsContact NH1-OE1 3.09Å; R25-Q29 WeakPolarHBondContact O-CB 3.36Å; R25-Q29 PolarHBondContact O-N 2.68Å; L26-Q29 PolarHBondContact O-N 2.89Å; Q29-F32 PolarHBondContact O-N 2.7Å; Q29-R33 PolarHBondContact O-N 3.34Å
30K84.9Confident87.5Confident24 Ų2488.8 Ų88.810%0.10441%0.414CS..Hα-helixtrans-63.8-40.1172.3-75.5-157.4-176.4-172.20112.5L26 F32 R33 R34 E170 I171 E174L26-K30 WeakPolarHBondContact O-CB 3.44Å; L26-K30 PolarHBondContact O-N 2.98Å; K30-F32 VanDerWaalsContact C-N 3.31Å; K30-F32 PolarHBondContact O-N 2.93Å; K30-R33 PolarHBondContact O-N 2.91Å; K30-R34 VanDerWaalsContact O-CB 3.31Å; K30-R34 WeakPolarHBondContact O-CB 3.22Å; K30-R34 PolarHBondContact O-N 2.95Å; K30-E170 VanDerWaalsContact NZ-CB 3.3Å; K30-E170 PolarHBondContact NZ-O 2.73Å; K30-E170 IonicContact NZ-OE2 2.84Å; K30-I171 HydrophobicContact CD-CD1 4.32Å; K30-I171 HydrophobicContact CD-CG1 3.81Å; K30-E174 WeakPolarHBondContact CE-OE1 3.41Å; K30-E174 WeakPolarHBondContact CE-OE2 3.32Å; K30-E174 IonicContact NZ-OE1 2.59Å; K30-E174 PolarHBondContact NZ-OE1 2.85Å; K30-E174 IonicContact NZ-OE2 2.67Å; K30-E174 PolarHBondContact NZ-OE2 3.2Å
31R84.6Confident87.9Confident197 Ų19791 Ų9174%0.74343%0.427SS*.Hα-helixtrans-59.4-41.3177.6-179.3-178177.7-163.5-0.9111.7R27 Q28 A35R27-R31 VanDerWaalsContact O-CB 3.23Å; R27-R31 WeakPolarHBondContact O-CB 3.33Å; R27-R31 PolarHBondContact O-N 2.65Å; Q28-R31 PolarHBondContact O-N 2.69Å; R31-A35 PolarHBondContact O-N 3.14Å
32F85.5Confident88.4Confident136 Ų13694.5 Ų94.560%0.59643%0.434SS*.Hα-helixtrans-69.6-49.3175.2-74.3-59.7000112.1Q28 Q29 K30 R34 A35Q28-F32 HydrophobicContact CG-CD2 3.98Å; Q28-F32 HydrophobicContact CG-CE2 3.63Å; Q28-F32 VanDerWaalsContact O-CD2 3.26Å; Q28-F32 WeakPolarHBondContact O-CD2 3.22Å; Q28-F32 PolarHBondContact O-N 2.69Å; Q29-F32 PolarHBondContact O-N 2.7Å; K30-F32 VanDerWaalsContact C-N 3.31Å; K30-F32 PolarHBondContact O-N 2.93Å; F32-R34 VanDerWaalsContact C-N 3.34Å; F32-R34 PolarHBondContact O-N 3.37Å; F32-A35 VanDerWaalsContact O-CB 3.25Å; F32-A35 WeakPolarHBondContact O-CB 3.48Å; F32-A35 PolarHBondContact O-N 3.27Å
33R83.9Confident88.8Confident162 Ų16298.6 Ų98.661%0.61146%0.456SS*.Hα-helixtrans-57.7-45.2178.8-172.1-177.5-67.8166.8-1.2112.3Q29 K30 A35Q29-R33 PolarHBondContact O-N 3.34Å; K30-R33 PolarHBondContact O-N 2.91Å; R33-A35 VanDerWaalsContact C-N 3.26Å; R33-A35 PolarHBondContact O-N 3.47Å
34R85.8Confident89.3Confident99 Ų99100.2 Ų100.237%0.37447%0.469SS..Hα-helixtrans-72.3-11.1177.3-73.4-168.2154.9146.31.8114.1K30 F32 D36 E37 V38 E170K30-R34 VanDerWaalsContact O-CB 3.31Å; K30-R34 WeakPolarHBondContact O-CB 3.22Å; K30-R34 PolarHBondContact O-N 2.95Å; F32-R34 VanDerWaalsContact C-N 3.34Å; F32-R34 PolarHBondContact O-N 3.37Å; R34-D36 PolarHBondContact O-N 2.98Å; R34-E37 WeakPolarHBondContact CG-OE2 3.39Å; R34-V38 HydrophobicContact CB-CG2 4.39Å; R34-V38 WeakPolarHBondContact O-CB 3.22Å; R34-V38 WeakPolarHBondContact O-CG2 3.42Å; R34-V38 PolarHBondContact O-N 3.07Å; R34-E170 IonicContact CZ-OE1 3.77Å; R34-E170 IonicContact CZ-OE2 3.48Å; R34-E170 IonicContact NH1-OE1 3.76Å; R34-E170 IonicContact NH1-OE2 3.79Å; R34-E170 PolarHBondContact NH1-OE2 3.44Å; R34-E170 IonicContact NH2-OE1 3.71Å; R34-E170 PolarHBondContact NH2-OE1 3.5Å; R34-E170 IonicContact NH2-OE2 2.8Å; R34-E170 PolarHBondContact NH2-OE2 2.89Å
35A89.9Confident89.8Confident47 Ų4799.2 Ų99.239%0.38847%0.465SS..Hα-helixtrans-63.2-45.1-175.200000112.1R31 F32 R33 K39R31-A35 PolarHBondContact O-N 3.14Å; F32-A35 VanDerWaalsContact O-CB 3.25Å; F32-A35 WeakPolarHBondContact O-CB 3.48Å; F32-A35 PolarHBondContact O-N 3.27Å; R33-A35 VanDerWaalsContact C-N 3.26Å; R33-A35 PolarHBondContact O-N 3.47Å; A35-K39 VanDerWaalsContact O-CB 3.26Å; A35-K39 WeakPolarHBondContact O-CB 3.48Å; A35-K39 PolarHBondContact O-N 3.08Å
36D87.9Confident90.2Very high115 Ų115102.4 Ų102.462%0.61548%0.477SS*.Hα-helixtrans-76.8-35.9-179.9-67.8-52.5000112.5R34 K39 S40R34-D36 PolarHBondContact O-N 2.98Å; D36-K39 PolarHBondContact O-N 2.95Å; D36-S40 WeakPolarHBondContact O-CB 3.29Å; D36-S40 PolarHBondContact O-N 3.39Å
37E89.9Confident90.7Very high103 Ų103107.8 Ų107.848%0.48150%0.502SS..Hα-helixtrans-56.8-51169.5-63.8172.1-171.200110.9R34 K39 S40 M41R34-E37 WeakPolarHBondContact CG-OE2 3.39Å; E37-K39 PolarHBondContact O-N 2.77Å; E37-S40 WeakPolarHBondContact O-CB 3.12Å; E37-S40 PolarHBondContact O-N 2.82Å; E37-M41 WeakPolarHBondContact O-CB 3.34Å; E37-M41 WeakPolarHBondContact O-CG 3.39Å; E37-M41 PolarHBondContact O-N 2.84Å
38V92.8Very high91.2Very high65 Ų65106.8 Ų106.839%0.39450%0.501SS..Hα-helixtrans-65-38.1179166.90000111.3R34 M41 F42R34-V38 HydrophobicContact CB-CG2 4.39Å; R34-V38 WeakPolarHBondContact O-CB 3.22Å; R34-V38 WeakPolarHBondContact O-CG2 3.42Å; R34-V38 PolarHBondContact O-N 3.07Å; V38-M41 PolarHBondContact O-N 3Å; V38-F42 HydrophobicContact CG1-CD2 3.56Å; V38-F42 HydrophobicContact CG1-CE2 3.49Å; V38-F42 VanDerWaalsContact CG1-CE2 3.49Å; V38-F42 WeakPolarHBondContact O-CB 3.16Å; V38-F42 VanDerWaalsContact O-CD2 3.25Å; V38-F42 WeakPolarHBondContact O-CD2 3.3Å; V38-F42 PolarHBondContact O-N 2.71Å
39K93.8Very high91.8Very high131 Ų131104.8 Ų104.857%0.5749%0.493SS*.Hα-helixtrans-63.6-41.8174.3-175.1179.2177.7-174.40112.1A35 D36 E37 F42 N43A35-K39 VanDerWaalsContact O-CB 3.26Å; A35-K39 WeakPolarHBondContact O-CB 3.48Å; A35-K39 PolarHBondContact O-N 3.08Å; D36-K39 PolarHBondContact O-N 2.95Å; E37-K39 PolarHBondContact O-N 2.77Å; K39-F42 PolarHBondContact O-N 2.85Å; K39-N43 PolarHBondContact O-N 2.97Å; K39-N43 VanDerWaalsContact O-N 3.12Å; K39-N43 PolarHBondContact O-ND2 2.81Å
40S93.8Very high92.4Very high80 Ų80103.2 Ų103.256%0.55949%0.49SS*.Hα-helixtrans-63.2-46.3172.9-171.20000111.6D36 E37 F42 N43 S44D36-S40 WeakPolarHBondContact O-CB 3.29Å; D36-S40 PolarHBondContact O-N 3.39Å; E37-S40 WeakPolarHBondContact O-CB 3.12Å; E37-S40 PolarHBondContact O-N 2.82Å; S40-F42 PolarHBondContact O-N 2.74Å; S40-N43 WeakPolarHBondContact O-CB 3.45Å; S40-N43 PolarHBondContact O-N 3.4Å; S40-N43 VanDerWaalsContact O-N 3.14Å; S40-S44 PolarHBondContact O-N 3.33Å
41M94.3Very high93Very high129 Ų129107.6 Ų107.664%0.63551%0.511SS*.Hα-helixtrans-63.3-36.6176.3-72.7-66.4-75.200112.8E37 V38 S44 N45E37-M41 WeakPolarHBondContact O-CB 3.34Å; E37-M41 WeakPolarHBondContact O-CG 3.39Å; E37-M41 PolarHBondContact O-N 2.84Å; V38-M41 PolarHBondContact O-N 3Å; M41-S44 PolarHBondContact O-N 3.1Å; M41-N45 VanDerWaalsContact O-CB 3.22Å; M41-N45 WeakPolarHBondContact O-CB 3.45Å; M41-N45 PolarHBondContact O-N 2.99Å
42F96.3Very high93.6Very high137 Ų137106.6 Ų106.660%0.60151%0.507SS*.Hα-helixtrans-63.9-39.3172.4-92.2-63.2000112.2V38 K39 S40 N45 R46V38-F42 HydrophobicContact CG1-CD2 3.56Å; V38-F42 HydrophobicContact CG1-CE2 3.49Å; V38-F42 VanDerWaalsContact CG1-CE2 3.49Å; V38-F42 WeakPolarHBondContact O-CB 3.16Å; V38-F42 VanDerWaalsContact O-CD2 3.25Å; V38-F42 WeakPolarHBondContact O-CD2 3.3Å; V38-F42 PolarHBondContact O-N 2.71Å; K39-F42 PolarHBondContact O-N 2.85Å; S40-F42 PolarHBondContact O-N 2.74Å; F42-N45 PolarHBondContact O-N 3.34Å; F42-R46 VanDerWaalsContact O-CB 3.29Å; F42-R46 WeakPolarHBondContact O-CB 3.42Å; F42-R46 PolarHBondContact O-N 2.84Å
43N95.3Very high94.2Very high102 Ų102103.4 Ų103.455%0.54550%0.499SS..Hα-helixtrans-65.8-46175.6-70.8-23.1000111.7K39 S40 N45 R46 Q47K39-N43 PolarHBondContact O-N 2.97Å; K39-N43 VanDerWaalsContact O-N 3.12Å; K39-N43 PolarHBondContact O-ND2 2.81Å; S40-N43 WeakPolarHBondContact O-CB 3.45Å; S40-N43 PolarHBondContact O-N 3.4Å; S40-N43 VanDerWaalsContact O-N 3.14Å; N43-N45 VanDerWaalsContact C-N 3.35Å; N43-N45 PolarHBondContact O-N 2.88Å; N43-R46 PolarHBondContact O-N 3.3Å; N43-Q47 PolarHBondContact O-N 3.44Å
44S96.8Very high94.8Very high38 Ų3899.4 Ų99.427%0.26649%0.49SS..Hα-helixtrans-62.6-40.3174.5-178.80000112.3S40 M41 R46 Q47 K48S40-S44 PolarHBondContact O-N 3.33Å; M41-S44 PolarHBondContact O-N 3.1Å; S44-R46 VanDerWaalsContact C-N 3.33Å; S44-Q47 PolarHBondContact O-N 2.99Å; S44-K48 WeakPolarHBondContact O-CG 3.46Å; S44-K48 PolarHBondContact O-N 3.48Å; S44-K48 PolarHBondContact OG-NZ 2.76Å
45N97.4Very high95.3Very high78 Ų7898.8 Ų98.842%0.41750%0.497SS..Hα-helixtrans-67.4-34.5174.9-168.544000111.7M41 F42 N43 K48 I49M41-N45 VanDerWaalsContact O-CB 3.22Å; M41-N45 WeakPolarHBondContact O-CB 3.45Å; M41-N45 PolarHBondContact O-N 2.99Å; F42-N45 PolarHBondContact O-N 3.34Å; N43-N45 VanDerWaalsContact C-N 3.35Å; N43-N45 PolarHBondContact O-N 2.88Å; N45-K48 PolarHBondContact O-N 3.05Å; N45-I49 WeakPolarHBondContact O-CB 3.48Å; N45-I49 VanDerWaalsContact O-CG1 3.25Å; N45-I49 WeakPolarHBondContact O-CG1 3.36Å; N45-I49 PolarHBondContact O-N 3.38Å
46R97.3Very high95.7Very high168 Ų168101.6 Ų101.663%0.63451%0.505SS*.Hα-helixtrans-66.4-36.7175.9-17756.3-179.9-111.63.3112.2F42 N43 S44 I49 V50F42-R46 VanDerWaalsContact O-CB 3.29Å; F42-R46 WeakPolarHBondContact O-CB 3.42Å; F42-R46 PolarHBondContact O-N 2.84Å; N43-R46 PolarHBondContact O-N 3.3Å; S44-R46 VanDerWaalsContact C-N 3.33Å; R46-I49 PolarHBondContact O-N 3.3Å; R46-V50 VanDerWaalsContact O-CG2 3.32Å; R46-V50 WeakPolarHBondContact O-CG2 3.21Å; R46-V50 PolarHBondContact O-N 3.19Å
47Q96.5Very high96.1Very high121 Ų12198.9 Ų98.957%0.56549%0.49SS*.Hα-helixtrans-60-52.4170.8-69.7167.8-3500110.8N43 S44 I49 V50 E51N43-Q47 PolarHBondContact O-N 3.44Å; S44-Q47 PolarHBondContact O-N 2.99Å; Q47-I49 VanDerWaalsContact C-N 3.27Å; Q47-I49 PolarHBondContact O-N 3.04Å; Q47-V50 PolarHBondContact O-N 3.48Å; Q47-E51 WeakPolarHBondContact O-CG 3.47Å; Q47-E51 PolarHBondContact O-N 2.95Å
48K97.5Very high96.4Very high99 Ų9999.4 Ų99.443%0.4349%0.493SS..Hα-helixtrans-58.8-34.6176.5-67.1164.8-176.7162.40113.3S44 N45 R52S44-K48 WeakPolarHBondContact O-CG 3.46Å; S44-K48 PolarHBondContact O-N 3.48Å; S44-K48 PolarHBondContact OG-NZ 2.76Å; N45-K48 PolarHBondContact O-N 3.05Å; K48-R52 WeakPolarHBondContact O-CB 3.37Å; K48-R52 VanDerWaalsContact O-CD 3.3Å; K48-R52 WeakPolarHBondContact O-CD 3.49Å; K48-R52 WeakPolarHBondContact O-CG 3.25Å; K48-R52 PolarHBondContact O-N 2.85Å
49I98Very high96.6Very high76 Ų76100.5 Ų100.539%0.3949%0.493SS..Hα-helixtrans-65.7-52.1172.4-72.8163.9000109.7N45 R46 Q47 E51 R52 T53N45-I49 WeakPolarHBondContact O-CB 3.48Å; N45-I49 VanDerWaalsContact O-CG1 3.25Å; N45-I49 WeakPolarHBondContact O-CG1 3.36Å; N45-I49 PolarHBondContact O-N 3.38Å; R46-I49 PolarHBondContact O-N 3.3Å; Q47-I49 VanDerWaalsContact C-N 3.27Å; Q47-I49 PolarHBondContact O-N 3.04Å; I49-E51 PolarHBondContact O-N 3.43Å; I49-R52 PolarHBondContact O-N 3.17Å; I49-T53 HydrophobicContact CG2-CG2 4.17Å; I49-T53 WeakPolarHBondContact O-CB 3.32Å; I49-T53 WeakPolarHBondContact O-CG2 3.46Å; I49-T53 PolarHBondContact O-N 3.24Å; I49-T53 PolarHBondContact O-OG1 3.45Å
50V97.7Very high96.7Very high60 Ų60102.2 Ų102.236%0.36450%0.496SS..Hα-helixtrans-56-53.6-179.4168.70000110.9R46 Q47 R52 T53 D54R46-V50 VanDerWaalsContact O-CG2 3.32Å; R46-V50 WeakPolarHBondContact O-CG2 3.21Å; R46-V50 PolarHBondContact O-N 3.19Å; Q47-V50 PolarHBondContact O-N 3.48Å; V50-R52 VanDerWaalsContact C-N 3.31Å; V50-R52 PolarHBondContact O-N 2.77Å; V50-T53 WeakPolarHBondContact CA-OG1 3.21Å; V50-T53 PolarHBondContact O-N 2.76Å; V50-T53 VanDerWaalsContact O-N 3.13Å; V50-T53 PolarHBondContact O-OG1 3.36Å; V50-D54 WeakPolarHBondContact CG1-OD2 3.5Å; V50-D54 WeakPolarHBondContact O-CB 3.07Å; V50-D54 PolarHBondContact O-N 2.82Å
51E97.3Very high96.8Very high116 Ų116103.7 Ų103.754%0.54249%0.493SS..Hα-helixtrans-52-46.4177.8-68.9160.3-17000112.8Q47 I49 T55Q47-E51 WeakPolarHBondContact O-CG 3.47Å; Q47-E51 PolarHBondContact O-N 2.95Å; I49-E51 PolarHBondContact O-N 3.43Å; E51-T55 WeakPolarHBondContact O-CB 3.27Å; E51-T55 PolarHBondContact O-N 3.31Å; E51-T55 PolarHBondContact O-OG1 2.76Å
52R97.6Very high96.8Very high176 Ų176103.2 Ų103.266%0.66450%0.497SS*.Hα-helixtrans-69.8-43.3178.5-71.1171.4-179.5-168.3-2.9112K48 I49 V50 D54 T55 L56K48-R52 WeakPolarHBondContact O-CB 3.37Å; K48-R52 VanDerWaalsContact O-CD 3.3Å; K48-R52 WeakPolarHBondContact O-CD 3.49Å; K48-R52 WeakPolarHBondContact O-CG 3.25Å; K48-R52 PolarHBondContact O-N 2.85Å; I49-R52 PolarHBondContact O-N 3.17Å; V50-R52 VanDerWaalsContact C-N 3.31Å; V50-R52 PolarHBondContact O-N 2.77Å; R52-D54 VanDerWaalsContact C-N 3.34Å; R52-T55 PolarHBondContact O-N 2.83Å; R52-L56 VanDerWaalsContact O-CG 3.32Å; R52-L56 WeakPolarHBondContact O-CG 3.3Å; R52-L56 PolarHBondContact O-N 3.32Å
53T97.8Very high96.7Very high70 Ų70103.6 Ų103.643%0.42950%0.495SS..Hα-helixtrans-67.1-35.3177.951.90000112I49 V50 L56 N57I49-T53 HydrophobicContact CG2-CG2 4.17Å; I49-T53 WeakPolarHBondContact O-CB 3.32Å; I49-T53 WeakPolarHBondContact O-CG2 3.46Å; I49-T53 PolarHBondContact O-N 3.24Å; I49-T53 PolarHBondContact O-OG1 3.45Å; V50-T53 WeakPolarHBondContact CA-OG1 3.21Å; V50-T53 PolarHBondContact O-N 2.76Å; V50-T53 VanDerWaalsContact O-N 3.13Å; V50-T53 PolarHBondContact O-OG1 3.36Å; T53-L56 PolarHBondContact O-N 2.82Å; T53-N57 WeakPolarHBondContact O-CB 3.09Å; T53-N57 PolarHBondContact O-N 2.92Å
54D97.4Very high96.6Very high78 Ų78110.6 Ų110.642%0.41751%0.513SS..Hα-helixtrans-69.4-41.2175.2-80.2-35.2000111.2V50 R52 L56 N57 Q58V50-D54 WeakPolarHBondContact CG1-OD2 3.5Å; V50-D54 WeakPolarHBondContact O-CB 3.07Å; V50-D54 PolarHBondContact O-N 2.82Å; R52-D54 VanDerWaalsContact C-N 3.34Å; D54-L56 PolarHBondContact O-N 3.13Å; D54-N57 PolarHBondContact O-N 3.38Å; D54-Q58 WeakPolarHBondContact O-CG 3.46Å; D54-Q58 PolarHBondContact O-N 2.93Å
55T96.8Very high96.4Very high85 Ų85114.9 Ų114.952%0.52153%0.532SS..Hα-helixtrans-56.7-51.1172.5-55.20000111E51 R52 N57 Q58 E59E51-T55 WeakPolarHBondContact O-CB 3.27Å; E51-T55 PolarHBondContact O-N 3.31Å; E51-T55 PolarHBondContact O-OG1 2.76Å; R52-T55 PolarHBondContact O-N 2.83Å; T55-N57 VanDerWaalsContact C-N 3.31Å; T55-N57 PolarHBondContact O-N 2.8Å; T55-Q58 PolarHBondContact O-N 2.77Å; T55-E59 PolarHBondContact O-N 2.81Å
56L97.3Very high96.1Very high107 Ų107119.1 Ų119.156%0.5655%0.549SS*.Hα-helixtrans-64.2-32.4176.9-68.6169.2000113R52 T53 D54 W60R52-L56 VanDerWaalsContact O-CG 3.32Å; R52-L56 WeakPolarHBondContact O-CG 3.3Å; R52-L56 PolarHBondContact O-N 3.32Å; T53-L56 PolarHBondContact O-N 2.82Å; D54-L56 PolarHBondContact O-N 3.13Å; L56-W60 WeakPolarHBondContact O-CB 3.42Å; L56-W60 PolarHBondContact O-N 3.48Å
57N97.4Very high95.8Very high57 Ų57115.7 Ų115.731%0.30555%0.549SS..Hα-helixtrans-72.6-37.8177-175.614.6000111.6T53 D54 T55 W60 K61T53-N57 WeakPolarHBondContact O-CB 3.09Å; T53-N57 PolarHBondContact O-N 2.92Å; D54-N57 PolarHBondContact O-N 3.38Å; T55-N57 VanDerWaalsContact C-N 3.31Å; T55-N57 PolarHBondContact O-N 2.8Å; N57-W60 PolarHBondContact O-N 3.11Å; N57-K61 PolarHBondContact ND2-NZ 3.4Å; N57-K61 WeakPolarHBondContact O-CB 3.14Å; N57-K61 WeakPolarHBondContact O-CD 3.35Å; N57-K61 VanDerWaalsContact O-CG 3.22Å; N57-K61 WeakPolarHBondContact O-CG 3.24Å; N57-K61 PolarHBondContact O-N 3.08Å; N57-K61 WeakPolarHBondContact OD1-CE 3.41Å
58Q95.9Very high95.5Very high114 Ų114117.1 Ų117.153%0.53357%0.565SS.*Hα-helixtrans-67.2-41.9171.1-60.4-62.414.300111.2D54 T55 W60 K61 T62D54-Q58 WeakPolarHBondContact O-CG 3.46Å; D54-Q58 PolarHBondContact O-N 2.93Å; T55-Q58 PolarHBondContact O-N 2.77Å; Q58-W60 VanDerWaalsContact C-N 3.26Å; Q58-W60 PolarHBondContact O-N 3.31Å; Q58-K61 PolarHBondContact O-N 3.06Å; Q58-K61 VanDerWaalsContact OE1-CD 3.27Å; Q58-T62 PolarHBondContact O-N 2.8Å
59E96.4Very high95Very high88 Ų88119.2 Ų119.241%0.41158%0.577SS.*Hα-helixtrans-58.8-36170.2-84.9-165.3-127.100113.2T55 T62 R63T55-E59 PolarHBondContact O-N 2.81Å; E59-T62 PolarHBondContact O-OG1 3.04Å; E59-T62 VanDerWaalsContact O-OG1 3.04Å; E59-R63 WeakPolarHBondContact O-CD 3.33Å; E59-R63 VanDerWaalsContact O-CG 3.27Å; E59-R63 WeakPolarHBondContact O-CG 3.49Å; E59-R63 PolarHBondContact O-NE 3.25Å; E59-R63 VanDerWaalsContact O-NE 3.07Å; E59-R63 IonicContact OE2-CZ 2.74Å; E59-R63 IonicContact OE2-NH2 3.15Å; E59-R63 PolarHBondContact OE2-NH2 2.92Å
60W95.8Very high94.3Very high167 Ų167122.5 Ų122.563%0.63359%0.593SS**Hα-helixtrans-72.7-42.5177.6179.379.5000111.7L56 N57 Q58 T62 R63L56-W60 WeakPolarHBondContact O-CB 3.42Å; L56-W60 PolarHBondContact O-N 3.48Å; N57-W60 PolarHBondContact O-N 3.11Å; Q58-W60 VanDerWaalsContact C-N 3.26Å; Q58-W60 PolarHBondContact O-N 3.31Å; W60-T62 PolarHBondContact O-N 2.9Å; W60-R63 WeakPolarHBondContact O-CB 3.47Å; W60-R63 PolarHBondContact O-N 3.26Å
61K95.2Very high93.1Very high112 Ų112124.7 Ų124.749%0.48760%0.601SS.*Hα-helixtrans-60-27.4178.3-75.4160.5-177.5160.60114.3N57 Q58 R63N57-K61 PolarHBondContact ND2-NZ 3.4Å; N57-K61 WeakPolarHBondContact O-CB 3.14Å; N57-K61 WeakPolarHBondContact O-CD 3.35Å; N57-K61 VanDerWaalsContact O-CG 3.22Å; N57-K61 WeakPolarHBondContact O-CG 3.24Å; N57-K61 PolarHBondContact O-N 3.08Å; N57-K61 WeakPolarHBondContact OD1-CE 3.41Å; Q58-K61 PolarHBondContact O-N 3.06Å; Q58-K61 VanDerWaalsContact OE1-CD 3.27Å; K61-R63 VanDerWaalsContact C-N 3.35Å
62T95.4Very high91.8Very high118 Ų118124.6 Ų124.672%0.72461%0.608SS**THydrogen-bonded Turntrans-78.1-19.317560.60000113.1Q58 E59 W60 R64Q58-T62 PolarHBondContact O-N 2.8Å; E59-T62 PolarHBondContact O-OG1 3.04Å; E59-T62 VanDerWaalsContact O-OG1 3.04Å; W60-T62 PolarHBondContact O-N 2.9Å; T62-R64 PolarHBondContact O-N 3.3Å
63R94.8Very high89.9Confident145 Ų145118.5 Ų118.555%0.54759%0.593SS.*  trans-88.8106-176.1-61.8167.6-164.1-141.47.1111.1E59 W60 K61 I65E59-R63 WeakPolarHBondContact O-CD 3.33Å; E59-R63 VanDerWaalsContact O-CG 3.27Å; E59-R63 WeakPolarHBondContact O-CG 3.49Å; E59-R63 PolarHBondContact O-NE 3.25Å; E59-R63 VanDerWaalsContact O-NE 3.07Å; E59-R63 IonicContact OE2-CZ 2.74Å; E59-R63 IonicContact OE2-NH2 3.15Å; E59-R63 PolarHBondContact OE2-NH2 2.92Å; W60-R63 WeakPolarHBondContact O-CB 3.47Å; W60-R63 PolarHBondContact O-N 3.26Å; K61-R63 VanDerWaalsContact C-N 3.35Å; R63-I65 HydrophobicContact CB-CD1 4.39Å; R63-I65 HydrophobicContact CB-CG1 4.13Å; R63-I65 PolarHBondContact O-N 3.11Å; R63-I65 VanDerWaalsContact O-N 3.1Å
64R91.6Very high88Confident249 Ų249121.9 Ų121.994%0.9461%0.613SS**  trans-82.978.8170.8-67.6-174.7-179.8-115.80.6111.2T62T62-R64 PolarHBondContact O-N 3.3Å
65I93.4Very high86Confident128 Ų128123.2 Ų123.266%0.65663%0.628SS**PPolyproline II helixtrans-80.6135.4175.2-53.8177.4000109.1R63R63-I65 HydrophobicContact CB-CD1 4.39Å; R63-I65 HydrophobicContact CB-CG1 4.13Å; R63-I65 PolarHBondContact O-N 3.11Å; R63-I65 VanDerWaalsContact O-N 3.1Å
66Q91.1Very high83.9Confident168 Ų168122 Ų12279%0.78562%0.623SS**PPolyproline II helixtrans-71.4133.1172.9-71-178-13.800110.3
67P91.3Very high82.1Confident96 Ų96124.1 Ų124.162%0.62364%0.635SS**PPolyproline II helixtrans-69.4159175.431-35.4000111.2H69P67-H69 PolarHBondContact O-N 3.02Å
68V90.8Very high80.3Confident150 Ų150133.9 Ų133.991%0.90967%0.667SS**PPolyproline II helixtrans-68125.8177.1-177.80000109.9
69H85.4Confident78.8Confident144 Ų144133.1 Ų133.167%0.66768%0.68SS**PPolyproline II helixtrans-92.9148.8173.4-66-71.5000111.3P67P67-H69 PolarHBondContact O-N 3.02Å
70I83.9Confident77.7Confident145 Ų145131.4 Ų131.474%0.74468%0.678SS**PPolyproline II helixtrans-67.8133.5176.6-65.7175.6000110T72I70-T72 PolarHBondContact O-N 3.27Å
71M72.4Confident77.1Confident105 Ų105132.8 Ų132.852%0.51768%0.683SS.*  trans-8475.8-177.9-167-172.975.800111.7P98 K100M71-P98 HydrophobicContact CE-CB 4.17Å; M71-P98 HydrophobicContact CE-CG 3.8Å; M71-P98 WeakPolarHBondContact CE-O 3.24Å; M71-P98 WeakPolarHBondContact O-CG 3.45Å; M71-K100 HydrophobicContact CE-CB 3.95Å; M71-K100 HydrophobicContact SD-CB 4.07Å
72T69.8Low76.7Confident115 Ų115133.2 Ų133.271%0.70669%0.687SS**  trans-82.1128.4174.7-47.80000111I70I70-T72 PolarHBondContact O-N 3.27Å
73S58.1Low76.4Confident48 Ų48129.9 Ų129.934%0.33667%0.668SS.*  trans-73.3137.8176.245.60000112.2S75 S76S73-S75 PolarHBondContact O-N 3.1Å; S73-S76 PolarHBondContact OG-OG 3.47Å
74V57.4Low76.2Confident141 Ų141125.5 Ų125.586%0.85566%0.657SS**SBendtrans-71.497162.7-178.80000107.9
75S55.4Low76.3Confident105 Ų105117.7 Ų117.773%0.73464%0.637SS**SBendtrans47.386.5178.352.80000114.1S73 L77S73-S75 PolarHBondContact O-N 3.1Å; S75-L77 PolarHBondContact O-N 2.96Å
76S54.1Low76.2Confident60 Ų60117.8 Ų117.842%0.4264%0.635SS.*  trans-39.1107.1-172.9-58.70000115.1S73 R78S73-S76 PolarHBondContact OG-OG 3.47Å; S76-R78 PolarHBondContact O-N 2.96Å
77L59.1Low76.1Confident152 Ų152112.2 Ų112.280%0.79661%0.614SS**  trans-56.8119.4162.3-70.4166.6000107.9S75 A79 S80S75-L77 PolarHBondContact O-N 2.96Å; L77-A79 PolarHBondContact O-N 3.1Å; L77-S80 PolarHBondContact O-N 3.42Å; L77-S80 PolarHBondContact O-OG 3.27Å
78R60Low75.9Confident262 Ų262111.8 Ų111.899%0.98963%0.627SS**THydrogen-bonded Turntrans-61.611.7-167.9-62.3-176.3178.5178.4-0.8116.7S76S76-R78 PolarHBondContact O-N 2.96Å
79A64Low75.9Confident98 Ų98112 Ų11281%0.8162%0.617SS**THydrogen-bonded Turntrans-116-4.3-17800000113.9L77L77-A79 PolarHBondContact O-N 3.1Å
80S72.8Confident75.5Confident52 Ų52111.3 Ų111.336%0.36463%0.628SS.*SBendtrans-71.5129.5171.253.80000110.7L77L77-S80 PolarHBondContact O-N 3.42Å; L77-S80 PolarHBondContact O-OG 3.27Å
81R83.6Confident75.6Confident196 Ų196112.8 Ų112.874%0.7463%0.631SS**  trans-64.2148.9167.3-67.4-176.4178.8-176.8-0.9109.6L99R81-L99 HydrophobicContact CB-CB 4.42Å; R81-L99 WeakPolarHBondContact O-CB 3.38Å; R81-L99 PolarHBondContact O-N 3.42Å
82E86.8Confident76.4Confident120 Ų120113.9 Ų113.956%0.56163%0.633SS**EExtended strand (participates in β ladder)trans-116.1144.4-179.5-63.8-178.4163.400110.5V96 I97E82-V96 HydrophobicContact CB-CG1 3.93Å; E82-V96 HydrophobicContact CG-CG1 4.39Å; E82-I97 CarbonylContact C-O 3.52Å; E82-I97 WeakPolarHBondContact CA-O 3.24Å
83C89.3Confident77.2Confident48 Ų48113.3 Ų113.332%0.32463%0.632SS.*EExtended strand (participates in β ladder)trans-100.3133.6169.2-173.60000108.4V96 I97 L99C83-V96 WeakPolarHBondContact O-CA 3.48Å; C83-I97 HydrophobicContact CB-CG1 4.01Å; C83-I97 PolarHBondContact N-O 3.39Å; C83-I97 PolarHBondContact O-N 2.79Å; C83-L99 HydrophobicContact CB-CB 4.31Å; C83-L99 HydrophobicContact CB-CD1 4.27Å
84T90Very high78.7Confident54 Ų54118.1 Ų118.133%0.33164%0.643SS.*EExtended strand (participates in β ladder)trans-106.2137.6171.8-78.40000108.9E86 R94 Q95T84-E86 HydrophobicContact CG2-CG 3.66Å; T84-R94 HydrophobicContact CG2-CG 3.97Å; T84-R94 PolarHBondContact OG1-NE 3.27Å; T84-R94 PolarHBondContact OG1-NH2 3.27Å; T84-Q95 WeakPolarHBondContact CA-O 3.28Å
85V92.6Very high80.3Confident85 Ų85117.4 Ų117.452%0.51563%0.63SS.*EExtended strand (participates in β ladder)trans-122.4123.8165.4-176.80000108.3Q95V85-Q95 PolarHBondContact N-O 3.26Å; V85-Q95 PolarHBondContact O-N 2.97Å
86E91.6Very high81.7Confident130 Ų130115.6 Ų115.661%0.60762%0.615SS**  trans-104.2150.5176.9-56.5-165.4148.600110.2T84 R94T84-E86 HydrophobicContact CG2-CG 3.66Å; E86-R94 HydrophobicContact CG-CG 4.13Å; E86-R94 WeakPolarHBondContact OE1-CD 3.48Å; E86-R94 IonicContact OE1-CZ 3.43Å; E86-R94 IonicContact OE1-NE 3.65Å; E86-R94 IonicContact OE1-NH1 3.15Å; E86-R94 PolarHBondContact OE1-NH1 2.9Å
87S90.1Very high83.3Confident51 Ų51116.8 Ų116.836%0.35762%0.615SS.*  trans-104.3136.6-176.3173.10000110.7F89S87-F89 PolarHBondContact O-N 3.13Å; S87-F89 WeakPolarHBondContact OG-CA 3.09Å; S87-F89 PolarHBondContact OG-N 2.93Å; S87-F89 PolarHBondContact OG-O 2.81Å
88G87.8Confident84.6Confident87 Ų87110.9 Ų110.990%0.89759%0.586SS**SBendtrans-71.7-12.8167.100000113.8
89F89.4Confident86Confident155 Ų155102.3 Ų102.368%0.6856%0.559SS**SBendtrans-98121.3173.5-54.9-81.7000109.9S87 E91 F92S87-F89 PolarHBondContact O-N 3.13Å; S87-F89 WeakPolarHBondContact OG-CA 3.09Å; S87-F89 PolarHBondContact OG-N 2.93Å; S87-F89 PolarHBondContact OG-O 2.81Å; F89-E91 PolarHBondContact O-N 3.48Å; F89-E91 VanDerWaalsContact O-N 3.17Å; F89-F92 HydrophobicContact CB-CD2 3.98Å; F89-F92 PolarHBondContact O-N 2.78Å
90S77.9Confident87.1Confident129 Ų129104.4 Ų104.490%0.90255%0.55SS**THydrogen-bonded Turntrans-65.2-14.9-175.448.10000115.3
91E85.4Confident87.8Confident175 Ų175106.2 Ų106.282%0.81856%0.559SS**THydrogen-bonded Turntrans-80.6-17.6177.9-61.2-178.9163.700113.2F89F89-E91 PolarHBondContact O-N 3.48Å; F89-E91 VanDerWaalsContact O-N 3.17Å
92F89.6Confident88.2Confident128 Ų128104.1 Ų104.156%0.56156%0.562SS**SBendtrans-99.7122.4-177.2-75.6-94.1000111.3F89F89-F92 HydrophobicContact CB-CD2 3.98Å; F89-F92 PolarHBondContact O-N 2.78Å
93P87.4Confident88.6Confident104 Ų104104.9 Ų104.968%0.67557%0.57SS**PPolyproline II helixtrans-67.8147.8178.428.7-34.8000111.6Q95P93-Q95 PolarHBondContact O-N 3.34Å
94R89Confident88.8Confident149 Ų149107.8 Ų107.856%0.56260%0.597SS**PPolyproline II helixtrans-52126.4169.6170.5176170.4152.2-6.8110.4T84 E86 V96T84-R94 HydrophobicContact CG2-CG 3.97Å; T84-R94 PolarHBondContact OG1-NE 3.27Å; T84-R94 PolarHBondContact OG1-NH2 3.27Å; E86-R94 HydrophobicContact CG-CG 4.13Å; E86-R94 WeakPolarHBondContact OE1-CD 3.48Å; E86-R94 IonicContact OE1-CZ 3.43Å; E86-R94 IonicContact OE1-NE 3.65Å; E86-R94 IonicContact OE1-NH1 3.15Å; E86-R94 PolarHBondContact OE1-NH1 2.9Å; R94-V96 HydrophobicContact CG-CG2 4.39Å
95Q89.6Confident89.1Confident125 Ų125111.6 Ų111.658%0.58462%0.62SS**EExtended strand (participates in β ladder)trans-96.9139.9178.4-65.9-179.558.100110.2T84 V85 P93T84-Q95 WeakPolarHBondContact CA-O 3.28Å; V85-Q95 PolarHBondContact N-O 3.26Å; V85-Q95 PolarHBondContact O-N 2.97Å; P93-Q95 PolarHBondContact O-N 3.34Å
96V86.8Confident89.2Confident68 Ų68112 Ų11241%0.41263%0.633SS.*EExtended strand (participates in β ladder)trans-132.3128.8177.5-174.90000108.7E82 C83 R94E82-V96 HydrophobicContact CB-CG1 3.93Å; E82-V96 HydrophobicContact CG-CG1 4.39Å; C83-V96 WeakPolarHBondContact O-CA 3.48Å; R94-V96 HydrophobicContact CG-CG2 4.39Å
97I87.4Confident89.3Confident84 Ų84111.3 Ų111.343%0.43164%0.642SS.*EExtended strand (participates in β ladder)trans-135.3148.8-179.960.8175000111E82 C83 L99E82-I97 CarbonylContact C-O 3.52Å; E82-I97 WeakPolarHBondContact CA-O 3.24Å; C83-I97 HydrophobicContact CB-CG1 4.01Å; C83-I97 PolarHBondContact N-O 3.39Å; C83-I97 PolarHBondContact O-N 2.79Å; I97-L99 PolarHBondContact O-N 3.1Å
98P86.6Confident89.5Confident28 Ų28114 Ų11418%0.18266%0.656CS.*EExtended strand (participates in β ladder)trans-63.4128.1173.324.2-32.1000111.1M71 K100M71-P98 HydrophobicContact CE-CB 4.17Å; M71-P98 HydrophobicContact CE-CG 3.8Å; M71-P98 WeakPolarHBondContact CE-O 3.24Å; M71-P98 WeakPolarHBondContact O-CG 3.45Å; P98-K100 PolarHBondContact O-N 3.37Å
99L88.3Confident89.9Confident82 Ų82111.7 Ų111.743%0.42963%0.625SS.*  trans-82.6110.4179.4-170.3157.2000109.3R81 C83 I97 T101R81-L99 HydrophobicContact CB-CB 4.42Å; R81-L99 WeakPolarHBondContact O-CB 3.38Å; R81-L99 PolarHBondContact O-N 3.42Å; C83-L99 HydrophobicContact CB-CB 4.31Å; C83-L99 HydrophobicContact CB-CD1 4.27Å; I97-L99 PolarHBondContact O-N 3.1Å; L99-T101 PolarHBondContact O-N 3.41Å; L99-T101 VanDerWaalsContact O-N 3.11Å
100K86.4Confident90Very high142 Ų142110 Ų11062%0.61763%0.627SS**  trans-74101.6175.4177.653.8-179.2165.40110.4M71 P98 L102M71-K100 HydrophobicContact CE-CB 3.95Å; M71-K100 HydrophobicContact SD-CB 4.07Å; P98-K100 PolarHBondContact O-N 3.37Å; K100-L102 PolarHBondContact O-N 3.05Å
101T88.7Confident90.8Very high90 Ų90107.5 Ų107.555%0.55260%0.602SS**PPolyproline II helixtrans-55.5125167.2-48.40000110L99L99-T101 PolarHBondContact O-N 3.41Å; L99-T101 VanDerWaalsContact O-N 3.11Å
102L92.7Very high91.1Very high153 Ų153107 Ų10780%0.80159%0.594SS**PPolyproline II helixtrans-75.5137.2166-60.9179.5000108.6K100K100-L102 PolarHBondContact O-N 3.05Å
103N93.4Very high91.4Very high135 Ų135106.7 Ų106.772%0.72261%0.608SS**PPolyproline II helixtrans-65.7147.9179.8-64.1-7.9000110.3V105N103-V105 PolarHBondContact O-N 2.82Å
104A94.5Very high91.9Very high109 Ų109104.8 Ų104.890%0.90159%0.587SS**PPolyproline II helixtrans-60.4132.217800000111.3
105V96.1Very high92.3Very high135 Ų135100.9 Ų100.982%0.81858%0.582SS**  trans-116.1133.9172.8179.70000107N103 S107N103-V105 PolarHBondContact O-N 2.82Å; V105-S107 PolarHBondContact O-N 2.74Å
106A94.1Very high92.7Very high94 Ų9499.8 Ų99.878%0.77759%0.586SS**  trans-63.9124.6177.200000110.2
107S94.1Very high93.1Very high115 Ų11597.5 Ų97.580%0.80457%0.572SS**  trans-72.8158.516950.30000110.6V105V105-S107 PolarHBondContact O-N 2.74Å
108V94.8Very high93.5Very high106 Ų10699.1 Ų99.164%0.64258%0.577SS**  trans-115.9142178174.70000107.6W637V108-W637 HydrophobicContact CG1-CH2 3.7Å; V108-W637 HydrophobicContact CG1-CZ2 3.29Å
109P94.8Very high93.9Very high39 Ų39102 Ų10225%0.25359%0.589SS.*  trans-61.4149.3-177.6-20.231.4000112.8M111 P631 G636 W637P109-M111 PolarHBondContact O-N 3.25Å; P109-P631 HydrophobicContact CG-CB 4.13Å; P109-P631 HydrophobicContact CG-CG 4.29Å; P109-G636 WeakPolarHBondContact CG-O 3.39Å; P109-W637 HydrophobicContact CB-CG 4.38Å; P109-W637 PolarHBondContact O-NE1 2.95Å
110V92.5Very high94.3Very high120 Ų12098.7 Ų98.773%0.72757%0.571SS**  trans-59.3134.4-175.5-178.60000111.1Y112V110-Y112 HydrophobicContact CG1-CE2 4.35Å
111M93.7Very high94.8Very high76 Ų7694.6 Ų94.637%0.37455%0.553SS.*  trans-144.5121.7172.4-177.8174.2-5700110P109 L629 W637 F699P109-M111 PolarHBondContact O-N 3.25Å; M111-L629 HydrophobicContact CE-CD2 4.03Å; M111-W637 HydrophobicContact CE-CD2 3.79Å; M111-W637 HydrophobicContact CE-CG 3.77Å; M111-W637 HydrophobicContact CE-CZ2 4.2Å; M111-F699 HydrophobicContact CE-CE1 3.59Å; M111-F699 HydrophobicContact CE-CE2 4.46Å; M111-F699 HydrophobicContact CE-CZ 3.55Å; M111-F699 HydrophobicContact SD-CE1 4.48Å; M111-F699 HydrophobicContact SD-CZ 4.05Å
112Y93Very high95.1Very high166 Ų16691.6 Ų91.665%0.65153%0.533SS*.  trans-76.2152.5165.8-64-84.1000110.4V110V110-Y112 HydrophobicContact CG1-CE2 4.35Å
113S96.1Very high95.2Very high121 Ų12185.5 Ų85.585%0.84650%0.503SS*.  trans-65.3142.7176.846.40000111.8
114W96.8Very high95.1Very high64 Ų6486.8 Ų86.824%0.24250%0.504CS..  trans-148.4149.5-179.760.6-82000111.2P116 R692 G694 F699W114-P116 HydrophobicContact CZ3-CB 4.19Å; W114-R692 VanDerWaalsContact CA-O 3.3Å; W114-R692 WeakPolarHBondContact CA-O 3.21Å; W114-G694 WeakPolarHBondContact CZ3-O 3.22Å; W114-F699 AromaticContact CE2-CZ 3.97Å; W114-F699 HydrophobicContact CH2-CE2 4.4Å; W114-F699 AromaticContact CZ2-CE2 3.69Å; W114-F699 HydrophobicContact CZ2-CE2 3.69Å; W114-F699 HydrophobicContact CZ2-CZ 4.11Å; W114-F699 AromaticContact NE1-CZ 3.69Å
115S98Very high94.8Very high66 Ų6684.5 Ų84.546%0.46248%0.477SS..EExtended strand (participates in β ladder)trans-93.8134.8-178.8-630000112.4R692 K693 G694S115-R692 PolarHBondContact N-O 3.14Å; S115-R692 VanDerWaalsContact N-O 3.09Å; S115-K693 CarbonylContact O-C 3.53Å; S115-K693 WeakPolarHBondContact O-CA 3.25Å; S115-G694 PolarHBondContact O-N 3.1Å
116P97.7Very high94.3Very high102 Ų10280.3 Ų80.366%0.66245%0.448SS*.EExtended strand (participates in β ladder)trans-79129.7-177.130.6-34.8000113.5W114 G694W114-P116 HydrophobicContact CZ3-CB 4.19Å; P116-G694 CarbonylContact C-O 3.49Å; P116-G694 WeakPolarHBondContact CA-O 3.37Å
117L96.3Very high93.6Very high21 Ų2179.8 Ų79.811%0.1144%0.436CS..  trans-111.9153.7179.1-67.8-178.6000112.7F121 C655 G656 K693 G694 N695L117-F121 HydrophobicContact CD1-CB 4.27Å; L117-F121 HydrophobicContact CD2-CB 4.23Å; L117-C655 HydrophobicContact CB-CB 4.12Å; L117-G656 WeakPolarHBondContact CD1-O 3.37Å; L117-K693 HydrophobicContact CD1-CB 3.69Å; L117-K693 HydrophobicContact CD2-CB 4.35Å; L117-K693 HydrophobicContact CG-CB 3.94Å; L117-G694 PolarHBondContact N-O 3.46Å; L117-N695 WeakPolarHBondContact O-CB 3.48Å
118Q94.8Very high92.9Very high117 Ų11776 Ų7655%0.54741%0.408SS..SBendtrans-120.7-10.9170.6-55.5-57.7-51.400113
119Q94.7Very high92.1Very high90 Ų9071.5 Ų71.542%0.42138%0.38SS..SBendtrans-148.7157.4177.5-61.1-177.4-29.100105.6
120N97Very high91.4Very high11 Ų1175.2 Ų75.26%0.05939%0.393CS..  trans-65.8159.4175.9-67.3-2.9000111.8L311 C655 G656 I658 V688N120-L311 HydrophobicContact CB-CD1 4.17Å; N120-C655 WeakPolarHBondContact OD1-CA 3.34Å; N120-G656 VanDerWaalsContact CA-O 3.3Å; N120-G656 WeakPolarHBondContact CA-O 3.27Å; N120-G656 PolarHBondContact OD1-N 3.26Å; N120-I658 HydrophobicContact CB-CD1 3.71Å; N120-I658 HydrophobicContact CB-CG1 3.6Å; N120-V688 WeakPolarHBondContact ND2-CG2 3.37Å
121F96.6Very high91Very high56 Ų5674.2 Ų74.225%0.24638%0.384CS..EExtended strand (participates in β ladder)trans-128.7112-176.5-172.6-75.8000109.8L117 V123 F310 G656 E657 I658 K693L117-F121 HydrophobicContact CD1-CB 4.27Å; L117-F121 HydrophobicContact CD2-CB 4.23Å; F121-V123 HydrophobicContact CD1-CG2 3.68Å; F121-V123 HydrophobicContact CE1-CG2 4.01Å; F121-F310 CarbonylContact C-O 3.42Å; F121-F310 WeakPolarHBondContact CA-O 3.41Å; F121-F310 HydrophobicContact CD2-CB 3.68Å; F121-F310 HydrophobicContact CD2-CD2 4.4Å; F121-F310 HydrophobicContact CD2-CG 4.01Å; F121-F310 HydrophobicContact CE2-CB 3.59Å; F121-F310 AromaticContact CE2-CD1 3.69Å; F121-F310 HydrophobicContact CE2-CD1 3.69Å; F121-F310 AromaticContact CE2-CD2 3.95Å; F121-F310 HydrophobicContact CE2-CD2 3.95Å; F121-F310 HydrophobicContact CE2-CE1 4.34Å; F121-F310 AromaticContact CE2-CG 3.47Å; F121-F310 HydrophobicContact CE2-CG 3.47Å; F121-F310 VanDerWaalsContact CE2-CG 3.47Å; F121-F310 HydrophobicContact CG-CB 4.25Å; F121-F310 HydrophobicContact CZ-CB 4.09Å; F121-F310 AromaticContact CZ-CD1 3.79Å; F121-F310 HydrophobicContact CZ-CD1 3.79Å; F121-F310 HydrophobicContact CZ-CE1 4.44Å; F121-F310 HydrophobicContact CZ-CG 4.01Å; F121-G656 PolarHBondContact N-O 3.41Å; F121-G656 VanDerWaalsContact N-O 3.13Å; F121-E657 CarbonylContact O-C 3.56Å; F121-E657 WeakPolarHBondContact O-CA 3.32Å; F121-I658 PolarHBondContact O-N 3.41Å; F121-K693 HydrophobicContact CD1-CD 4.42Å; F121-K693 HydrophobicContact CG-CD 4.37Å
122M95.6Very high90.4Very high27 Ų2774 Ų7413%0.13338%0.384CS..EExtended strand (participates in β ladder)trans-65137.3176.5-170.565.873.300110.8F310 P313 I658 F686M122-F310 PolarHBondContact N-O 2.92Å; M122-P313 HydrophobicContact CE-CG 4.39Å; M122-P313 HydrophobicContact CG-CG 4.47Å; M122-I658 HydrophobicContact CE-CB 4.07Å; M122-I658 HydrophobicContact CE-CD1 4.36Å; M122-I658 HydrophobicContact CE-CG2 3.87Å; M122-I658 HydrophobicContact SD-CB 3.81Å; M122-I658 HydrophobicContact SD-CG2 3.9Å; M122-F686 HydrophobicContact CE-CD1 4.21Å; M122-F686 HydrophobicContact CE-CE1 3.8Å; M122-F686 HydrophobicContact CE-CZ 4.11Å; M122-F686 HydrophobicContact SD-CD1 4.19Å; M122-F686 HydrophobicContact SD-CE1 3.82Å
123V94.9Very high89.9Confident26 Ų2666.9 Ų66.916%0.15836%0.358CS..  trans-132.6140.6175.9-177.10000108.3F121 E657 I658 I659F121-V123 HydrophobicContact CD1-CG2 3.68Å; F121-V123 HydrophobicContact CE1-CG2 4.01Å; V123-E657 HydrophobicContact CG2-CB 3.91Å; V123-E657 HydrophobicContact CG2-CG 4.04Å; V123-I658 PolarHBondContact N-O 2.6Å; V123-I659 HydrophobicContact CB-CG2 4.2Å
124E90.5Very high89.2Confident161 Ų16168 Ų6875%0.75234%0.344SS*.  trans-85158.3177.5-61.6-179.4154.300111.4
125D89.5Confident88.1Confident61 Ų6166.3 Ų66.333%0.32634%0.34SS..  trans-69.7127.4-172-80.249.4000113T127 S660 E663 R666D125-T127 PolarHBondContact O-N 3.48Å; D125-T127 VanDerWaalsContact O-N 3.07Å; D125-S660 VanDerWaalsContact OD1-CB 3.31Å; D125-S660 WeakPolarHBondContact OD1-CB 3.43Å; D125-S660 PolarHBondContact OD1-OG 3.19Å; D125-S660 VanDerWaalsContact OD1-OG 3.06Å; D125-S660 PolarHBondContact OD2-OG 3.48Å; D125-E663 WeakPolarHBondContact CA-OE2 3.19Å; D125-R666 IonicContact OD2-NH2 2.68Å; D125-R666 PolarHBondContact OD2-NH2 3.16Å
126E84.1Confident87Confident47 Ų4764.2 Ų64.222%0.2233%0.328CS..  trans-79.589.6-179.5-67.1-177.3172.400110.8V128 H130 Y154 E663 R666 R692E126-V128 PolarHBondContact O-N 3.25Å; E126-V128 VanDerWaalsContact O-N 3.16Å; E126-H130 IonicContact OE2-CD2 2.67Å; E126-Y154 VanDerWaalsContact O-CD1 3.3Å; E126-Y154 WeakPolarHBondContact O-CD1 3.2Å; E126-Y154 WeakPolarHBondContact O-CE1 3.3Å; E126-E663 PolarHBondContact N-OE2 3.04Å; E126-R666 PolarHBondContact O-NH1 3.49Å; E126-R692 IonicContact OE1-CZ 3.36Å; E126-R692 IonicContact OE1-NH1 3.55Å; E126-R692 PolarHBondContact OE1-NH1 2.86Å; E126-R692 IonicContact OE1-NH2 2.67Å; E126-R692 PolarHBondContact OE1-NH2 2.67Å; E126-R692 IonicContact OE2-CZ 3.92Å; E126-R692 IonicContact OE2-NH1 2.83Å; E126-R692 IonicContact OE2-NH2 3.18Å; E126-R692 PolarHBondContact OE2-NH2 2.9Å
127T79.4Confident86Confident84 Ų8464.1 Ų64.152%0.51532%0.322SS..  trans-69.8-6.3-175.259.80000115.6D125 K157D125-T127 PolarHBondContact O-N 3.48Å; D125-T127 VanDerWaalsContact O-N 3.07Å; T127-K157 WeakPolarHBondContact O-CD 3.14Å
128V79.3Confident84.8Confident36 Ų3670.7 Ų70.722%0.21835%0.353CS..SBendtrans-136.7130.7-178.6179.80000109.7E126 H130 K157 H159E126-V128 PolarHBondContact O-N 3.25Å; E126-V128 VanDerWaalsContact O-N 3.16Å; V128-H130 PolarHBondContact O-N 3.21Å; V128-H130 VanDerWaalsContact O-N 3.08Å; V128-K157 HydrophobicContact CB-CB 4.37Å; V128-K157 HydrophobicContact CG1-CB 4.15Å; V128-K157 HydrophobicContact CG2-CB 4.04Å; V128-K157 HydrophobicContact CG2-CD 4.23Å; V128-H159 HydrophobicContact CG1-CB 4.31Å
129L79.3Confident83.6Confident10 Ų1068.5 Ų68.55%0.05234%0.344CS..BIsolated β-bridgetrans-72.5104.6177.6-177.461.6000110.1N131 I132 L150 Y154 K157 V158 H159L129-N131 VanDerWaalsContact C-N 3.31Å; L129-N131 WeakPolarHBondContact CD1-O 3.39Å; L129-N131 PolarHBondContact O-N 2.88Å; L129-I132 HydrophobicContact CD2-CG1 4.28Å; L129-L150 HydrophobicContact CD2-CD2 4.15Å; L129-L150 HydrophobicContact CD2-CG 4.14Å; L129-Y154 HydrophobicContact CB-CD1 4.04Å; L129-Y154 HydrophobicContact CB-CD2 3.99Å; L129-Y154 HydrophobicContact CB-CE1 4.31Å; L129-Y154 HydrophobicContact CB-CE2 4.3Å; L129-Y154 HydrophobicContact CB-CG 3.86Å; L129-Y154 HydrophobicContact CD1-CD2 4.46Å; L129-Y154 HydrophobicContact CD1-CE1 4.45Å; L129-Y154 HydrophobicContact CD1-CE2 3.95Å; L129-K157 PolarHBondContact N-O 3.14Å; L129-V158 HydrophobicContact CB-CG2 4.5Å; L129-V158 HydrophobicContact CD2-CG2 4.46Å; L129-H159 PolarHBondContact O-N 2.94Å
130H80.1Confident82.1Confident117 Ų11766.8 Ų66.854%0.54234%0.337SS..  trans-75.2-15.8-17475.776000114.4E126 V128E126-H130 IonicContact OE2-CD2 2.67Å; V128-H130 PolarHBondContact O-N 3.21Å; V128-H130 VanDerWaalsContact O-N 3.08Å
131N82.9Confident80.6Confident99 Ų9973.4 Ų73.453%0.52937%0.373SS..  trans-159.6134178.6176.876.2000110.8L129L129-N131 VanDerWaalsContact C-N 3.31Å; L129-N131 WeakPolarHBondContact CD1-O 3.39Å; L129-N131 PolarHBondContact O-N 2.88Å
132I81.9Confident79.3Confident72 Ų7278.1 Ų78.137%0.36940%0.396SS..PPolyproline II helixtrans-78.2126170.5-60.1178.2000108.8L129 Y134 I147 V158L129-I132 HydrophobicContact CD2-CG1 4.28Å; I132-Y134 PolarHBondContact O-N 3.44Å; I132-I147 HydrophobicContact CG2-CD1 4.15Å; I132-V158 HydrophobicContact CD1-CG1 4.21Å; I132-V158 HydrophobicContact CG1-CG1 4.05Å
133P81.6Confident78Confident16 Ų1680.2 Ų80.210%0.10441%0.407CS..PPolyproline II helixtrans-65.1121178.2-19.431.8000111.7L150 V670 Y674P133-L150 HydrophobicContact CG-CD2 4.21Å; P133-V670 HydrophobicContact CB-CG1 4.37Å; P133-V670 HydrophobicContact CG-CG1 3.84Å; P133-V670 HydrophobicContact CG-CG2 4.25Å; P133-Y674 HydrophobicContact CB-CE2 4.07Å; P133-Y674 WeakPolarHBondContact CB-OH 3.15Å
134Y82.6Confident76.7Confident144 Ų14481.2 Ų81.257%0.56542%0.422SS*.PPolyproline II helixtrans-79.2135.7171.2-174.9-103.5000110.4I132 D137 L140 Y674I132-Y134 PolarHBondContact O-N 3.44Å; Y134-D137 WeakPolarHBondContact CE2-OD1 3.17Å; Y134-D137 VanDerWaalsContact CZ-OD1 3.31Å; Y134-D137 VanDerWaalsContact OH-CG 3.26Å; Y134-D137 PolarHBondContact OH-N 2.74Å; Y134-D137 PolarHBondContact OH-OD1 2.93Å; Y134-L140 HydrophobicContact CD2-CD1 4.12Å; Y134-L140 HydrophobicContact CE2-CD1 4Å; Y134-Y674 PolarHBondContact O-OH 2.96Å
135M73.5Confident76.2Confident29 Ų2978.2 Ų78.214%0.14342%0.416CS..  trans-132.98.3-171.8-61.7175.8-69.900113.3I139 L140 F146 I147 K673 Y674M135-I139 HydrophobicContact CB-CB 4.49Å; M135-I139 HydrophobicContact CB-CG2 4.41Å; M135-I139 WeakPolarHBondContact O-CD1 3.49Å; M135-L140 HydrophobicContact CE-CD2 3.89Å; M135-F146 HydrophobicContact CE-CD1 3.79Å; M135-F146 HydrophobicContact CE-CE1 3.69Å; M135-F146 HydrophobicContact SD-CD1 4.47Å; M135-F146 HydrophobicContact SD-CE1 3.99Å; M135-I147 HydrophobicContact CE-CD1 3.81Å; M135-K673 HydrophobicContact SD-CB 4.42Å; M135-K673 HydrophobicContact SD-CD 4.38Å; M135-K673 HydrophobicContact SD-CG 3.39Å; M135-K673 WeakPolarHBondContact SD-CG 3.37Å; M135-Y674 HydrophobicContact CG-CE1 4.41Å
136G74.8Confident75.8Confident22 Ų2276.8 Ų76.823%0.22741%0.406CS..  trans89.9137.1-170.700000112.1E138 I139 L140G136-E138 VanDerWaalsContact C-N 3.27Å; G136-E138 PolarHBondContact O-N 2.79Å; G136-I139 PolarHBondContact O-N 2.82Å; G136-L140 PolarHBondContact O-N 3.29Å
137D76.4Confident75.8Confident100 Ų10076 Ų7654%0.53540%0.404SS..Hα-helixtrans-58.5-41.3-176.3-55.7-16.5000111Y134 I139 L140 D141Y134-D137 WeakPolarHBondContact CE2-OD1 3.17Å; Y134-D137 VanDerWaalsContact CZ-OD1 3.31Å; Y134-D137 VanDerWaalsContact OH-CG 3.26Å; Y134-D137 PolarHBondContact OH-N 2.74Å; Y134-D137 PolarHBondContact OH-OD1 2.93Å; D137-I139 PolarHBondContact O-N 2.98Å; D137-L140 PolarHBondContact O-N 3.36Å; D137-D141 PolarHBondContact O-N 3.21Å
138E71.9Confident76Confident160 Ų16078.9 Ų78.975%0.74841%0.411SS*.Hα-helixtrans-55-26.9176.4-60.3179.8179.900114.2G136 Q142G136-E138 VanDerWaalsContact C-N 3.27Å; G136-E138 PolarHBondContact O-N 2.79Å; E138-Q142 WeakPolarHBondContact O-CG 3.35Å; E138-Q142 PolarHBondContact O-NE2 3.42Å
139I68.6Low76.2Confident71 Ų7181.8 Ų81.836%0.36442%0.422SS..Hα-helixtrans-92.6-33.2178.3-58.8-169.8000111.1M135 G136 D137 D141 Q142 D143M135-I139 HydrophobicContact CB-CB 4.49Å; M135-I139 HydrophobicContact CB-CG2 4.41Å; M135-I139 WeakPolarHBondContact O-CD1 3.49Å; G136-I139 PolarHBondContact O-N 2.82Å; D137-I139 PolarHBondContact O-N 2.98Å; I139-D141 VanDerWaalsContact C-N 3.34Å; I139-Q142 PolarHBondContact O-N 2.89Å; I139-D143 PolarHBondContact O-N 3.43Å; I139-D143 VanDerWaalsContact O-N 3.12Å
140L64.4Low76.4Confident54 Ų5481.4 Ų81.428%0.28342%0.42SS..Hα-helixtrans-66.3-36.9176.9-67.4169.6000111.7Y134 M135 G136 D137 Q142 I147Y134-L140 HydrophobicContact CD2-CD1 4.12Å; Y134-L140 HydrophobicContact CE2-CD1 4Å; M135-L140 HydrophobicContact CE-CD2 3.89Å; G136-L140 PolarHBondContact O-N 3.29Å; D137-L140 PolarHBondContact O-N 3.36Å; L140-Q142 PolarHBondContact O-N 2.81Å; L140-I147 HydrophobicContact CD2-CD1 3.97Å; L140-I147 HydrophobicContact CD2-CG1 4.08Å
141D64.7Low76.6Confident149 Ų14978 Ų7880%0.79741%0.406SS*.THydrogen-bonded Turntrans-68.5-16.5175.6-74.2-17.4000113.7D137 I139D137-D141 PolarHBondContact O-N 3.21Å; I139-D141 VanDerWaalsContact C-N 3.34Å
142Q68.3Low76.8Confident156 Ų15680.7 Ų80.773%0.72941%0.413SS*.THydrogen-bonded Turntrans-100-41.7-178.4-68179.455.300113.3E138 I139 L140E138-Q142 WeakPolarHBondContact O-CG 3.35Å; E138-Q142 PolarHBondContact O-NE2 3.42Å; I139-Q142 PolarHBondContact O-N 2.89Å; L140-Q142 PolarHBondContact O-N 2.81Å
143D68.4Low76.9Confident71 Ų7179.4 Ų79.438%0.3841%0.407SS..  trans-115.845.9-173-92.6-24.4000112.5I139 T145 F146 K673I139-D143 PolarHBondContact O-N 3.43Å; I139-D143 VanDerWaalsContact O-N 3.12Å; D143-T145 PolarHBondContact O-N 3.17Å; D143-T145 VanDerWaalsContact O-N 3.1Å; D143-F146 HydrophobicContact CB-CB 4.28Å; D143-F146 WeakPolarHBondContact O-CB 3.16Å; D143-F146 PolarHBondContact O-N 3.18Å; D143-K673 IonicContact OD2-NZ 2.73Å; D143-K673 PolarHBondContact OD2-NZ 3.07Å
144G69.1Low76.9Confident46 Ų4679.2 Ų79.247%0.47440%0.404SS..Hα-helixtrans-55.2-29.8178.600000114.2F146 I147 E148G144-F146 VanDerWaalsContact C-N 3.3Å; G144-F146 PolarHBondContact O-N 3.29Å; G144-I147 PolarHBondContact O-N 3.41Å; G144-E148 PolarHBondContact O-N 3Å
145T80.1Confident76.9Confident99 Ų9978.4 Ų78.461%0.60741%0.409SS*.Hα-helixtrans-62-31.217447.60000113.5D143 I147 E148 E149D143-T145 PolarHBondContact O-N 3.17Å; D143-T145 VanDerWaalsContact O-N 3.1Å; T145-I147 VanDerWaalsContact C-N 3.32Å; T145-I147 PolarHBondContact O-N 3.09Å; T145-E148 PolarHBondContact O-N 2.95Å; T145-E149 WeakPolarHBondContact O-CB 3.41Å; T145-E149 PolarHBondContact O-N 3.09Å
146F81.2Confident77.1Confident30 Ų3078.7 Ų78.713%0.13242%0.42CS..Hα-helixtrans-65.2-37177.3168.7-94.9000111.6M135 D143 G144 L150 K669 K673M135-F146 HydrophobicContact CE-CD1 3.79Å; M135-F146 HydrophobicContact CE-CE1 3.69Å; M135-F146 HydrophobicContact SD-CD1 4.47Å; M135-F146 HydrophobicContact SD-CE1 3.99Å; D143-F146 HydrophobicContact CB-CB 4.28Å; D143-F146 WeakPolarHBondContact O-CB 3.16Å; D143-F146 PolarHBondContact O-N 3.18Å; G144-F146 VanDerWaalsContact C-N 3.3Å; G144-F146 PolarHBondContact O-N 3.29Å; F146-L150 HydrophobicContact CE1-CD2 4.18Å; F146-L150 HydrophobicContact CZ-CD2 4.38Å; F146-L150 WeakPolarHBondContact O-CB 3.49Å; F146-L150 PolarHBondContact O-N 2.76Å; F146-K669 WeakPolarHBondContact CE2-O 3.45Å; F146-K673 HydrophobicContact CE1-CB 4.44Å; F146-K673 HydrophobicContact CE1-CG 4.17Å; F146-K673 HydrophobicContact CE2-CB 3.92Å; F146-K673 HydrophobicContact CE2-CG 4.28Å; F146-K673 HydrophobicContact CZ-CB 3.82Å; F146-K673 HydrophobicContact CZ-CG 4.04Å
147I82.2Confident77.3Confident32 Ų3281.1 Ų81.116%0.16442%0.424CS..Hα-helixtrans-70-42.3178.5-58.9-63.5000110.5I132 M135 L140 G144 T145 L150 I151I132-I147 HydrophobicContact CG2-CD1 4.15Å; M135-I147 HydrophobicContact CE-CD1 3.81Å; L140-I147 HydrophobicContact CD2-CD1 3.97Å; L140-I147 HydrophobicContact CD2-CG1 4.08Å; G144-I147 PolarHBondContact O-N 3.41Å; T145-I147 VanDerWaalsContact C-N 3.32Å; T145-I147 PolarHBondContact O-N 3.09Å; I147-L150 PolarHBondContact O-N 3.3Å; I147-I151 HydrophobicContact CG2-CD1 3.81Å; I147-I151 WeakPolarHBondContact O-CB 3.41Å; I147-I151 VanDerWaalsContact O-CG1 3.23Å; I147-I151 WeakPolarHBondContact O-CG1 3.18Å; I147-I151 PolarHBondContact O-N 2.81Å
148E83.7Confident77.4Confident144 Ų14477.4 Ų77.467%0.67341%0.405SS*.Hα-helixtrans-60.8-47.1173.4-171.7-175169.800111.4G144 T145 I151 K152G144-E148 PolarHBondContact O-N 3Å; T145-E148 PolarHBondContact O-N 2.95Å; E148-I151 PolarHBondContact O-N 2.83Å; E148-K152 WeakPolarHBondContact O-CB 3.37Å; E148-K152 PolarHBondContact O-N 3.39Å
149E83.9Confident77.6Confident96 Ų9674.8 Ų74.845%0.44939%0.392SS..Hα-helixtrans-64.4-42.6177.9-162.4-167148.200111.7T145 K152 N153 K669T145-E149 WeakPolarHBondContact O-CB 3.41Å; T145-E149 PolarHBondContact O-N 3.09Å; E149-K152 WeakPolarHBondContact O-CB 3.36Å; E149-K152 PolarHBondContact O-N 3.19Å; E149-N153 PolarHBondContact O-N 2.93Å; E149-N153 PolarHBondContact O-ND2 3.02Å; E149-K669 WeakPolarHBondContact OE1-CE 3.48Å; E149-K669 IonicContact OE1-NZ 3.75Å; E149-K669 PolarHBondContact OE1-NZ 2.88Å
150L84.1Confident77.5Confident2 Ų273.4 Ų73.41%0.0140%0.396CS..Hα-helixtrans-56.8-52.9177.117860.9000110.7L129 P133 F146 I147 K152 N153 Y154 V670L129-L150 HydrophobicContact CD2-CD2 4.15Å; L129-L150 HydrophobicContact CD2-CG 4.14Å; P133-L150 HydrophobicContact CG-CD2 4.21Å; F146-L150 HydrophobicContact CE1-CD2 4.18Å; F146-L150 HydrophobicContact CZ-CD2 4.38Å; F146-L150 WeakPolarHBondContact O-CB 3.49Å; F146-L150 PolarHBondContact O-N 2.76Å; I147-L150 PolarHBondContact O-N 3.3Å; L150-K152 VanDerWaalsContact C-N 3.28Å; L150-K152 PolarHBondContact O-N 3.04Å; L150-N153 WeakPolarHBondContact CA-ND2 3.16Å; L150-N153 PolarHBondContact O-N 3.36Å; L150-N153 PolarHBondContact O-ND2 2.95Å; L150-N153 VanDerWaalsContact O-ND2 3.14Å; L150-Y154 HydrophobicContact CD1-CE2 4.13Å; L150-Y154 WeakPolarHBondContact O-CD2 3.23Å; L150-V670 HydrophobicContact CD1-CG2 3.65Å; L150-V670 HydrophobicContact CD2-CG2 4.26Å
151I84.1Confident77.6Confident46 Ų4676.6 Ų76.624%0.23641%0.413CS..Hα-helixtrans-58.7-39.1178.9-72.4172000111.3I147 E148 N153 Y154 G156 V158I147-I151 HydrophobicContact CG2-CD1 3.81Å; I147-I151 WeakPolarHBondContact O-CB 3.41Å; I147-I151 VanDerWaalsContact O-CG1 3.23Å; I147-I151 WeakPolarHBondContact O-CG1 3.18Å; I147-I151 PolarHBondContact O-N 2.81Å; E148-I151 PolarHBondContact O-N 2.83Å; I151-N153 VanDerWaalsContact C-N 3.29Å; I151-N153 PolarHBondContact O-N 3.37Å; I151-Y154 PolarHBondContact O-N 2.78Å; I151-Y154 VanDerWaalsContact O-N 3.1Å; I151-G156 PolarHBondContact O-N 3.26Å; I151-V158 HydrophobicContact CD1-CG2 4.16Å; I151-V158 HydrophobicContact CG1-CG2 3.83Å; I151-V158 HydrophobicContact CG2-CG2 4.26Å
152K86.6Confident77.5Confident156 Ų15672.6 Ų72.668%0.67839%0.387SS*.Hα-helixtrans-61.4-30.1178.2-176.1179.8177.5-178.40113.8E148 E149 L150 Y154 D155E148-K152 WeakPolarHBondContact O-CB 3.37Å; E148-K152 PolarHBondContact O-N 3.39Å; E149-K152 WeakPolarHBondContact O-CB 3.36Å; E149-K152 PolarHBondContact O-N 3.19Å; L150-K152 VanDerWaalsContact C-N 3.28Å; L150-K152 PolarHBondContact O-N 3.04Å; K152-Y154 PolarHBondContact O-N 3.16Å; K152-D155 PolarHBondContact O-N 3.43Å
153N84.1Confident77Confident45 Ų4573.1 Ų73.124%0.24139%0.389CS..THydrogen-bonded Turntrans-75.6-12.9177.4-40.4-72.1000113.3E149 L150 I151 R666 K669E149-N153 PolarHBondContact O-N 2.93Å; E149-N153 PolarHBondContact O-ND2 3.02Å; L150-N153 WeakPolarHBondContact CA-ND2 3.16Å; L150-N153 PolarHBondContact O-N 3.36Å; L150-N153 PolarHBondContact O-ND2 2.95Å; L150-N153 VanDerWaalsContact O-ND2 3.14Å; I151-N153 VanDerWaalsContact C-N 3.29Å; I151-N153 PolarHBondContact O-N 3.37Å; N153-R666 HydrophobicContact CB-CG 3.9Å; N153-R666 VanDerWaalsContact O-CD 3.28Å; N153-R666 WeakPolarHBondContact O-CD 3.14Å; N153-K669 WeakPolarHBondContact ND2-CD 3.47Å; N153-K669 PolarHBondContact OD1-NZ 2.94Å
154Y83.2Confident76.4Confident12 Ų1270.2 Ų70.25%0.04737%0.374CS..THydrogen-bonded Turntrans-104.728.8173.8-66.7-97.2000110.9E126 L129 L150 I151 K152 G156 K157 R666E126-Y154 VanDerWaalsContact O-CD1 3.3Å; E126-Y154 WeakPolarHBondContact O-CD1 3.2Å; E126-Y154 WeakPolarHBondContact O-CE1 3.3Å; L129-Y154 HydrophobicContact CB-CD1 4.04Å; L129-Y154 HydrophobicContact CB-CD2 3.99Å; L129-Y154 HydrophobicContact CB-CE1 4.31Å; L129-Y154 HydrophobicContact CB-CE2 4.3Å; L129-Y154 HydrophobicContact CB-CG 3.86Å; L129-Y154 HydrophobicContact CD1-CD2 4.46Å; L129-Y154 HydrophobicContact CD1-CE1 4.45Å; L129-Y154 HydrophobicContact CD1-CE2 3.95Å; L150-Y154 HydrophobicContact CD1-CE2 4.13Å; L150-Y154 WeakPolarHBondContact O-CD2 3.23Å; I151-Y154 PolarHBondContact O-N 2.78Å; I151-Y154 VanDerWaalsContact O-N 3.1Å; K152-Y154 PolarHBondContact O-N 3.16Å; Y154-G156 PolarHBondContact O-N 3.36Å; Y154-G156 VanDerWaalsContact O-N 3.07Å; Y154-K157 WeakPolarHBondContact O-CB 3.18Å; Y154-K157 WeakPolarHBondContact O-CD 3.44Å; Y154-K157 WeakPolarHBondContact O-CG 3.3Å; Y154-K157 PolarHBondContact O-N 3.4Å; Y154-R666 HydrophobicContact CE2-CB 4.35Å
155D81.1Confident76.2Confident126 Ų12669.5 Ų69.567%0.67437%0.367SS*.THydrogen-bonded Turntrans53.722.4-174.1-54.5-41.1000115.1K152 K157K152-D155 PolarHBondContact O-N 3.43Å; D155-K157 VanDerWaalsContact C-N 3.32Å; D155-K157 HydrophobicContact CB-CD 4.11Å; D155-K157 HydrophobicContact CB-CG 4.33Å; D155-K157 IonicContact OD2-NZ 2.75Å; D155-K157 PolarHBondContact OD2-NZ 2.89Å
156G78.4Confident75.6Confident36 Ų3672.1 Ų72.137%0.37137%0.371SS..THydrogen-bonded Turntrans82.51.8-171.200000115.1I151 Y154 V158I151-G156 PolarHBondContact O-N 3.26Å; Y154-G156 PolarHBondContact O-N 3.36Å; Y154-G156 VanDerWaalsContact O-N 3.07Å; G156-V158 PolarHBondContact O-N 3.44Å
157K77.8Confident75.4Confident73 Ų7371 Ų7132%0.31737%0.366SS..  trans-83.7101.3-175.9-55.5158.2-176.9156.40110.9T127 V128 L129 Y154 D155T127-K157 WeakPolarHBondContact O-CD 3.14Å; V128-K157 HydrophobicContact CB-CB 4.37Å; V128-K157 HydrophobicContact CG1-CB 4.15Å; V128-K157 HydrophobicContact CG2-CB 4.04Å; V128-K157 HydrophobicContact CG2-CD 4.23Å; L129-K157 PolarHBondContact N-O 3.14Å; Y154-K157 WeakPolarHBondContact O-CB 3.18Å; Y154-K157 WeakPolarHBondContact O-CD 3.44Å; Y154-K157 WeakPolarHBondContact O-CG 3.3Å; Y154-K157 PolarHBondContact O-N 3.4Å; D155-K157 VanDerWaalsContact C-N 3.32Å; D155-K157 HydrophobicContact CB-CD 4.11Å; D155-K157 HydrophobicContact CB-CG 4.33Å; D155-K157 IonicContact OD2-NZ 2.75Å; D155-K157 PolarHBondContact OD2-NZ 2.89Å
158V80.4Confident75.5Confident21 Ų2171.3 Ų71.313%0.12737%0.368CS..BIsolated β-bridgetrans-108.8132.4168.8-174.30000109.7L129 I132 I151 G156 G160 D161L129-V158 HydrophobicContact CB-CG2 4.5Å; L129-V158 HydrophobicContact CD2-CG2 4.46Å; I132-V158 HydrophobicContact CD1-CG1 4.21Å; I132-V158 HydrophobicContact CG1-CG1 4.05Å; I151-V158 HydrophobicContact CD1-CG2 4.16Å; I151-V158 HydrophobicContact CG1-CG2 3.83Å; I151-V158 HydrophobicContact CG2-CG2 4.26Å; G156-V158 PolarHBondContact O-N 3.44Å; V158-G160 PolarHBondContact O-N 3.2Å; V158-G160 VanDerWaalsContact O-N 3.13Å; V158-D161 HydrophobicContact CB-CB 4.27Å; V158-D161 PolarHBondContact O-N 2.78Å; V158-D161 VanDerWaalsContact O-N 3.16Å
159H74.6Confident75.6Confident105 Ų10567.9 Ų67.949%0.48635%0.354SS..THydrogen-bonded Turntrans-62.4117.3178.5171.8-87.4000111.1V128 L129V128-H159 HydrophobicContact CG1-CB 4.31Å; L129-H159 PolarHBondContact O-N 2.94Å
160G67.7Low75.6Confident42 Ų4267.2 Ų67.243%0.43335%0.351SS..THydrogen-bonded Turntrans97.6-7.6179.900000115.4V158 R162V158-G160 PolarHBondContact O-N 3.2Å; V158-G160 VanDerWaalsContact O-N 3.13Å; G160-R162 PolarHBondContact O-N 3.49Å
161D65.2Low75.7Confident122 Ų12267.9 Ų67.965%0.65236%0.355SS*.  trans-71.6112.7170.5-17524.2000110.4V158V158-D161 HydrophobicContact CB-CB 4.27Å; V158-D161 PolarHBondContact O-N 2.78Å; V158-D161 VanDerWaalsContact O-N 3.16Å
162R63.4Low75.9Confident64 Ų6466.1 Ų66.124%0.24235%0.345CS..  trans-158.5123.2-157.2-78.8172.9168.1-104.2-3.5113.4G160 C164 G165 F246 D248G160-R162 PolarHBondContact O-N 3.49Å; R162-C164 WeakPolarHBondContact CB-O 3.43Å; R162-C164 WeakPolarHBondContact CD-O 3.42Å; R162-C164 PolarHBondContact NH1-O 3.11Å; R162-C164 PolarHBondContact O-N 2.8Å; R162-G165 PolarHBondContact NH1-O 3.38Å; R162-F246 VanDerWaalsContact NH1-CD1 3.3Å; R162-D248 IonicContact CZ-OD1 3.18Å; R162-D248 VanDerWaalsContact CZ-OD1 3.3Å; R162-D248 IonicContact CZ-OD2 3.4Å; R162-D248 IonicContact NE-OD1 2.69Å; R162-D248 PolarHBondContact NE-OD1 3.21Å; R162-D248 IonicContact NE-OD2 2.67Å; R162-D248 PolarHBondContact NE-OD2 3.26Å; R162-D248 IonicContact NH2-OD1 3.13Å; R162-D248 PolarHBondContact NH2-OD1 3.12Å; R162-D248 IonicContact NH2-OD2 3.44Å; R162-D248 PolarHBondContact NH2-OD2 3.01Å
163E58.2Low75.9Confident167 Ų16759.4 Ų59.478%0.7832%0.317SS*.SBendtrans-68.7-21.4158.3-72.4-165-177.800113.5K20K20-E163 IonicContact NZ-OE2 3.9Å; K20-E163 PolarHBondContact NZ-OE2 3.33Å
164C56.2Low76.1Confident10 Ų1060.8 Ų60.87%0.06832%0.322CS..SBendtrans-128.8131.9-168.8-68.60000111.6K20 R162 M245 F246K20-C164 WeakPolarHBondContact CE-SG 3.43Å; R162-C164 WeakPolarHBondContact CB-O 3.43Å; R162-C164 WeakPolarHBondContact CD-O 3.42Å; R162-C164 PolarHBondContact NH1-O 3.11Å; R162-C164 PolarHBondContact O-N 2.8Å; C164-M245 HydrophobicContact CB-CE 4.31Å; C164-M245 WeakPolarHBondContact SG-CE 3.49Å; C164-F246 HydrophobicContact CB-CE1 4.11Å
165G64.1Low76.3Confident32 Ų3260.2 Ų60.233%0.3332%0.32SS..  trans-62.4177.8-168.100000116.1Y23 R162 I167Y23-G165 PolarHBondContact OH-O 2.8Å; R162-G165 PolarHBondContact NH1-O 3.38Å; G165-I167 PolarHBondContact O-N 2.94Å
166F66.9Low76.7Confident154 Ų15454.2 Ų54.268%0.67529%0.288SS*.  trans-45.8128.7179-179-103.2000113.4Y23 N168Y23-F166 PolarHBondContact OH-O 2.91Å; F166-N168 HydrophobicContact CE1-CB 3.83Å; F166-N168 HydrophobicContact CZ-CB 4.22Å
167I77.9Confident77.1Confident7 Ų755 Ų554%0.03628%0.284CS..  trans-115.3128.1169.9-170.5168.7000108.7Y23 G165 I171 F172 L175 F246 K249Y23-I167 HydrophobicContact CE2-CB 4.22Å; Y23-I167 HydrophobicContact CE2-CG1 4.42Å; G165-I167 PolarHBondContact O-N 2.94Å; I167-I171 HydrophobicContact CG1-CB 4.39Å; I167-I171 HydrophobicContact CG1-CG2 4.15Å; I167-F172 HydrophobicContact CD1-CB 4.08Å; I167-F172 HydrophobicContact CD1-CD2 4.44Å; I167-F172 HydrophobicContact CG1-CB 4.25Å; I167-L175 HydrophobicContact CD1-CD2 3.93Å; I167-F246 HydrophobicContact CB-CD1 4.47Å; I167-F246 HydrophobicContact CB-CE1 4.11Å; I167-F246 HydrophobicContact CB-CZ 4.21Å; I167-F246 HydrophobicContact CD1-CD2 4.14Å; I167-F246 HydrophobicContact CD1-CE2 3.72Å; I167-F246 HydrophobicContact CD1-CZ 3.99Å; I167-F246 HydrophobicContact CG2-CD1 3.85Å; I167-F246 HydrophobicContact CG2-CD2 4.49Å; I167-F246 HydrophobicContact CG2-CE1 4.01Å; I167-F246 HydrophobicContact CG2-CG 4.09Å; I167-F246 HydrophobicContact CG2-CZ 4.4Å; I167-K249 HydrophobicContact CG2-CD 4.43Å; I167-K249 HydrophobicContact CG2-CG 3.87Å
168N82.8Confident77.5Confident38 Ų3852.2 Ų52.220%0.20327%0.273CS..  trans-106167.8170.975.9-25.1000110.3F166 E170 I171 F172F166-N168 HydrophobicContact CE1-CB 3.83Å; F166-N168 HydrophobicContact CZ-CB 4.22Å; N168-E170 VanDerWaalsContact C-N 3.29Å; N168-E170 PolarHBondContact ND2-OE2 3.17Å; N168-E170 PolarHBondContact O-N 2.88Å; N168-I171 PolarHBondContact O-N 3.43Å; N168-I171 VanDerWaalsContact OD1-CB 3.27Å; N168-I171 WeakPolarHBondContact OD1-CB 3.36Å; N168-I171 WeakPolarHBondContact OD1-CD1 3.47Å; N168-I171 WeakPolarHBondContact OD1-CG1 3.36Å; N168-I171 PolarHBondContact OD1-N 3.05Å; N168-I171 VanDerWaalsContact OD1-N 3.08Å; N168-F172 PolarHBondContact O-N 2.81Å
169D86.4Confident77.6Confident72 Ų7251.2 Ų51.239%0.38527%0.267SS..Hα-helixtrans-63.8-33.9-171.4-54.9-38.7000112.5F172 V173 K258 L262D169-F172 PolarHBondContact O-N 2.67Å; D169-V173 WeakPolarHBondContact O-CG2 3.49Å; D169-V173 PolarHBondContact O-N 2.83Å; D169-K258 WeakPolarHBondContact OD1-CE 3.49Å; D169-K258 IonicContact OD1-NZ 3.29Å; D169-K258 PolarHBondContact OD1-NZ 3.39Å; D169-K258 IonicContact OD2-NZ 3.65Å; D169-L262 HydrophobicContact CB-CD1 3.8Å; D169-L262 HydrophobicContact CB-CD2 4.12Å
170E84.1Confident78Confident81 Ų8147.2 Ų47.238%0.37925%0.25SS..Hα-helixtrans-62.9-41.9172.6-44.9168.6141.700112.9K30 R34 N168 E174K30-E170 VanDerWaalsContact NZ-CB 3.3Å; K30-E170 PolarHBondContact NZ-O 2.73Å; K30-E170 IonicContact NZ-OE2 2.84Å; R34-E170 IonicContact CZ-OE1 3.77Å; R34-E170 IonicContact CZ-OE2 3.48Å; R34-E170 IonicContact NH1-OE1 3.76Å; R34-E170 IonicContact NH1-OE2 3.79Å; R34-E170 PolarHBondContact NH1-OE2 3.44Å; R34-E170 IonicContact NH2-OE1 3.71Å; R34-E170 PolarHBondContact NH2-OE1 3.5Å; R34-E170 IonicContact NH2-OE2 2.8Å; R34-E170 PolarHBondContact NH2-OE2 2.89Å; N168-E170 VanDerWaalsContact C-N 3.29Å; N168-E170 PolarHBondContact ND2-OE2 3.17Å; N168-E170 PolarHBondContact O-N 2.88Å; E170-E174 PolarHBondContact O-N 2.95Å
171I86.1Confident78.5Confident17 Ų1751.3 Ų51.39%0.08726%0.258CS..Hα-helixtrans-75.5-32.6178.6-70.2169.6000109.8Y23 K30 I167 N168 L175Y23-I171 HydrophobicContact CD2-CG2 3.94Å; Y23-I171 HydrophobicContact CE2-CG2 4.14Å; K30-I171 HydrophobicContact CD-CD1 4.32Å; K30-I171 HydrophobicContact CD-CG1 3.81Å; I167-I171 HydrophobicContact CG1-CB 4.39Å; I167-I171 HydrophobicContact CG1-CG2 4.15Å; N168-I171 PolarHBondContact O-N 3.43Å; N168-I171 VanDerWaalsContact OD1-CB 3.27Å; N168-I171 WeakPolarHBondContact OD1-CB 3.36Å; N168-I171 WeakPolarHBondContact OD1-CD1 3.47Å; N168-I171 WeakPolarHBondContact OD1-CG1 3.36Å; N168-I171 PolarHBondContact OD1-N 3.05Å; N168-I171 VanDerWaalsContact OD1-N 3.08Å; I171-L175 WeakPolarHBondContact O-CB 3.43Å; I171-L175 PolarHBondContact O-N 3.5Å
172F87.8Confident78.8Confident8 Ų847.9 Ų47.94%0.03524%0.236CC..Hα-helixtrans-61.5-49.7174.2172.2-111.4000111.9I167 N168 D169 E174 L175 V176 F239 I242 L255 K258 Y259 L262I167-F172 HydrophobicContact CD1-CB 4.08Å; I167-F172 HydrophobicContact CD1-CD2 4.44Å; I167-F172 HydrophobicContact CG1-CB 4.25Å; N168-F172 PolarHBondContact O-N 2.81Å; D169-F172 PolarHBondContact O-N 2.67Å; F172-E174 PolarHBondContact O-N 3.3Å; F172-L175 PolarHBondContact O-N 3.28Å; F172-V176 HydrophobicContact CD2-CG2 4.27Å; F172-V176 HydrophobicContact CE2-CG2 3.88Å; F172-V176 HydrophobicContact CZ-CG2 4.12Å; F172-V176 WeakPolarHBondContact O-CG2 3.4Å; F172-V176 PolarHBondContact O-N 3.11Å; F172-F239 HydrophobicContact CZ-CE1 4.4Å; F172-I242 HydrophobicContact CD2-CG2 4.34Å; F172-I242 HydrophobicContact CE2-CG2 4.13Å; F172-L255 HydrophobicContact CE2-CB 4.38Å; F172-L255 HydrophobicContact CE2-CD1 4.49Å; F172-L255 HydrophobicContact CE2-CD2 3.91Å; F172-L255 HydrophobicContact CZ-CB 4.11Å; F172-L255 HydrophobicContact CZ-CD2 4.03Å; F172-L255 WeakPolarHBondContact CZ-O 3.4Å; F172-K258 HydrophobicContact CE1-CG 4.29Å; F172-Y259 HydrophobicContact CE1-CD2 4.32Å; F172-L262 HydrophobicContact CD1-CD1 3.96Å; F172-L262 HydrophobicContact CE1-CD1 4.36Å
173V88.3Confident79Confident15 Ų1546.1 Ų46.19%0.09123%0.234CC..Hα-helixtrans-62.9-43.7177.2174.80000111.6D169 L175 V176 N177 Y259 L262 T263D169-V173 WeakPolarHBondContact O-CG2 3.49Å; D169-V173 PolarHBondContact O-N 2.83Å; V173-L175 VanDerWaalsContact C-N 3.34Å; V173-L175 PolarHBondContact O-N 2.99Å; V173-V176 PolarHBondContact O-N 3.06Å; V173-N177 WeakPolarHBondContact O-CB 3.48Å; V173-N177 PolarHBondContact O-N 3.37Å; V173-N177 PolarHBondContact O-ND2 3.32Å; V173-Y259 HydrophobicContact CG1-CE2 4.26Å; V173-L262 HydrophobicContact CG2-CB 3.64Å; V173-L262 HydrophobicContact CG2-CD1 4.02Å; V173-L262 HydrophobicContact CG2-CG 4.48Å; V173-T263 HydrophobicContact CG1-CG2 4.07Å
174E86.7Confident79.1Confident75 Ų7541 Ų4135%0.3521%0.212SC..Hα-helixtrans-66.8-32.5176.3-78.3174.9-137.800113.2L26 K30 E170 F172 S178L26-E174 HydrophobicContact CD1-CB 4.27Å; L26-E174 HydrophobicContact CD2-CB 4.44Å; K30-E174 WeakPolarHBondContact CE-OE1 3.41Å; K30-E174 WeakPolarHBondContact CE-OE2 3.32Å; K30-E174 IonicContact NZ-OE1 2.59Å; K30-E174 PolarHBondContact NZ-OE1 2.85Å; K30-E174 IonicContact NZ-OE2 2.67Å; K30-E174 PolarHBondContact NZ-OE2 3.2Å; E170-E174 PolarHBondContact O-N 2.95Å; F172-E174 PolarHBondContact O-N 3.3Å; E174-S178 VanDerWaalsContact O-CB 3.3Å; E174-S178 WeakPolarHBondContact O-CB 3.46Å; E174-S178 PolarHBondContact O-N 3.46Å; E174-S178 PolarHBondContact O-OG 2.85Å
175L88.6Confident79.2Confident0 Ų045 Ų450%023%0.233CC..Hα-helixtrans-67.8-48.5175.3178.362.5000110.9V19 E22 L26 I167 I171 F172 V173 N177 S178 M179 I242 F246V19-L175 HydrophobicContact CG1-CD2 4.27Å; E22-L175 HydrophobicContact CB-CD1 4.05Å; L26-L175 HydrophobicContact CD1-CB 4.11Å; L26-L175 HydrophobicContact CD1-CD1 4.31Å; I167-L175 HydrophobicContact CD1-CD2 3.93Å; I171-L175 WeakPolarHBondContact O-CB 3.43Å; I171-L175 PolarHBondContact O-N 3.5Å; F172-L175 PolarHBondContact O-N 3.28Å; V173-L175 VanDerWaalsContact C-N 3.34Å; V173-L175 PolarHBondContact O-N 2.99Å; L175-N177 PolarHBondContact O-N 3.24Å; L175-S178 PolarHBondContact O-N 3.14Å; L175-M179 HydrophobicContact CD1-CG 4.32Å; L175-M179 WeakPolarHBondContact O-CB 3.5Å; L175-M179 VanDerWaalsContact O-CG 3.24Å; L175-M179 WeakPolarHBondContact O-CG 3.31Å; L175-M179 PolarHBondContact O-N 2.98Å; L175-I242 HydrophobicContact CD2-CD1 4.34Å; L175-I242 HydrophobicContact CD2-CG1 4.43Å; L175-I242 HydrophobicContact CG-CD1 4.31Å; L175-F246 HydrophobicContact CD2-CE2 4.31Å
176V88.8Confident78.7Confident0 Ų045.4 Ų45.40%023%0.226CC..Hα-helixtrans-60.6-45.8176175.70000110.6F172 V173 S178 M179 V180 P234 F239 I242 Y259F172-V176 HydrophobicContact CD2-CG2 4.27Å; F172-V176 HydrophobicContact CE2-CG2 3.88Å; F172-V176 HydrophobicContact CZ-CG2 4.12Å; F172-V176 WeakPolarHBondContact O-CG2 3.4Å; F172-V176 PolarHBondContact O-N 3.11Å; V173-V176 PolarHBondContact O-N 3.06Å; V176-S178 PolarHBondContact O-N 2.79Å; V176-M179 PolarHBondContact O-N 3.43Å; V176-M179 VanDerWaalsContact O-N 3.16Å; V176-V180 WeakPolarHBondContact O-CG2 3.3Å; V176-V180 PolarHBondContact O-N 3.13Å; V176-P234 HydrophobicContact CG1-CB 3.98Å; V176-P234 HydrophobicContact CG1-CG 3.77Å; V176-F239 HydrophobicContact CG1-CE1 4.35Å; V176-F239 HydrophobicContact CG1-CZ 4.2Å; V176-F239 HydrophobicContact CG2-CE1 4.17Å; V176-I242 HydrophobicContact CG2-CD1 3.7Å; V176-Y259 HydrophobicContact CB-CD2 3.77Å; V176-Y259 HydrophobicContact CB-CE2 3.52Å; V176-Y259 HydrophobicContact CG1-CD1 4.41Å; V176-Y259 HydrophobicContact CG1-CD2 3.72Å; V176-Y259 HydrophobicContact CG1-CE1 4.16Å; V176-Y259 HydrophobicContact CG1-CE2 3.4Å; V176-Y259 VanDerWaalsContact CG1-CE2 3.4Å; V176-Y259 HydrophobicContact CG1-CG 4.21Å; V176-Y259 HydrophobicContact CG2-CD2 3.93Å; V176-Y259 HydrophobicContact CG2-CE2 4.22Å
177N87.1Confident78Confident52 Ų5242.8 Ų42.828%0.27822%0.219SC..Hα-helixtrans-61.5-40.4176.2-81.3-88.2000112.6V173 L175 M179 V180 Q181 Y259V173-N177 WeakPolarHBondContact O-CB 3.48Å; V173-N177 PolarHBondContact O-N 3.37Å; V173-N177 PolarHBondContact O-ND2 3.32Å; L175-N177 PolarHBondContact O-N 3.24Å; N177-M179 VanDerWaalsContact C-N 3.3Å; N177-M179 PolarHBondContact O-N 3.41Å; N177-V180 PolarHBondContact O-N 3.1Å; N177-Q181 WeakPolarHBondContact O-CG 3.22Å; N177-Q181 PolarHBondContact O-N 3.32Å; N177-Y259 PolarHBondContact ND2-OH 3.32Å; N177-Y259 VanDerWaalsContact ND2-OH 3.09Å
178S85.6Confident76.6Confident15 Ų1547.3 Ų47.311%0.10524%0.243CC..Hα-helixtrans-67.8-29.6176.3-58.10000112.7E174 L175 V176 Y182E174-S178 VanDerWaalsContact O-CB 3.3Å; E174-S178 WeakPolarHBondContact O-CB 3.46Å; E174-S178 PolarHBondContact O-N 3.46Å; E174-S178 PolarHBondContact O-OG 2.85Å; L175-S178 PolarHBondContact O-N 3.14Å; V176-S178 PolarHBondContact O-N 2.79Å; S178-Y182 PolarHBondContact O-N 3Å
179M83.4Confident74.9Confident0 Ų051.6 Ų51.60%026%0.262CS..Hα-helixtrans-77.4-30.5175.3-69.2-64.2-56.800112.3W15 R18 V19 E22 L175 V176 N177 Y182 S183 I238W15-M179 HydrophobicContact CE3-CE 3.55Å; W15-M179 HydrophobicContact CZ3-CE 3.73Å; R18-M179 HydrophobicContact CB-CE 4.31Å; R18-M179 HydrophobicContact CG-CE 4.17Å; R18-M179 HydrophobicContact CG-SD 4.17Å; V19-M179 HydrophobicContact CG2-CE 3.73Å; V19-M179 HydrophobicContact CG2-CG 4.4Å; V19-M179 HydrophobicContact CG2-SD 3.89Å; E22-M179 HydrophobicContact CG-SD 4.37Å; L175-M179 HydrophobicContact CD1-CG 4.32Å; L175-M179 WeakPolarHBondContact O-CB 3.5Å; L175-M179 VanDerWaalsContact O-CG 3.24Å; L175-M179 WeakPolarHBondContact O-CG 3.31Å; L175-M179 PolarHBondContact O-N 2.98Å; V176-M179 PolarHBondContact O-N 3.43Å; V176-M179 VanDerWaalsContact O-N 3.16Å; N177-M179 VanDerWaalsContact C-N 3.3Å; N177-M179 PolarHBondContact O-N 3.41Å; M179-Y182 PolarHBondContact O-N 3.07Å; M179-S183 PolarHBondContact O-N 3.06Å; M179-S183 VanDerWaalsContact O-N 3.13Å; M179-I238 HydrophobicContact CB-CD1 4.19Å; M179-I238 HydrophobicContact CB-CG1 4.47Å; M179-I238 HydrophobicContact CB-CG2 3.67Å; M179-I238 HydrophobicContact CG-CG2 4.2Å
180V83.1Confident73.1Confident21 Ų2153.2 Ų53.213%0.12727%0.267CS..Hα-helixtrans-69.7-45.51721720000111.2V176 N177 Y182 S183 D184 P234 I238V176-V180 WeakPolarHBondContact O-CG2 3.3Å; V176-V180 PolarHBondContact O-N 3.13Å; N177-V180 PolarHBondContact O-N 3.1Å; V180-Y182 PolarHBondContact O-N 2.78Å; V180-S183 PolarHBondContact O-N 2.59Å; V180-S183 PolarHBondContact O-OG 3.47Å; V180-D184 WeakPolarHBondContact CG1-OD2 3.25Å; V180-D184 VanDerWaalsContact O-CG 3.29Å; V180-D184 PolarHBondContact O-N 3.29Å; V180-P234 HydrophobicContact CG2-CB 3.56Å; V180-P234 HydrophobicContact CG2-CG 3.79Å; V180-I238 HydrophobicContact CG2-CD1 3.99Å
181Q77.2Confident71.4Confident128 Ų12855.9 Ų55.960%0.59828%0.28SS*.Hα-helixtrans-57.3-24.3171.9-71.9178-29.700112.8N177 N185N177-Q181 WeakPolarHBondContact O-CG 3.22Å; N177-Q181 PolarHBondContact O-N 3.32Å; Q181-N185 WeakPolarHBondContact O-CB 3.36Å; Q181-N185 PolarHBondContact O-N 2.81Å; Q181-N185 PolarHBondContact O-OD1 3.38Å
182Y72.1Confident69.5Low50 Ų5061.8 Ų61.820%0.19631%0.307CS..Hα-helixtrans-86.9-22.1175.1-178-110.6000113.8K10 R18 S178 M179 V180 E186K10-Y182 PolarHBondContact NZ-OH 3.33Å; R18-Y182 HydrophobicContact CG-CD1 3.78Å; R18-Y182 HydrophobicContact CG-CE1 3.66Å; R18-Y182 VanDerWaalsContact NE-CE2 3.28Å; R18-Y182 VanDerWaalsContact NE-CZ 3.26Å; S178-Y182 PolarHBondContact O-N 3Å; M179-Y182 PolarHBondContact O-N 3.07Å; V180-Y182 PolarHBondContact O-N 2.78Å; Y182-E186 HydrophobicContact CE2-CG 4.2Å; Y182-E186 VanDerWaalsContact CE2-OE1 3.32Å; Y182-E186 WeakPolarHBondContact CE2-OE1 3.48Å; Y182-E186 WeakPolarHBondContact O-CG 3.35Å; Y182-E186 VanDerWaalsContact OH-CD 3.27Å; Y182-E186 PolarHBondContact OH-OE1 3.41Å; Y182-E186 PolarHBondContact OH-OE2 3.06Å
183S66.8Low67.4Low26 Ų2667.3 Ų67.318%0.18233%0.333CS..Hα-helixtrans-78.9-43.4168.653.80000111.8M179 V180 N185 E186 D187M179-S183 PolarHBondContact O-N 3.06Å; M179-S183 VanDerWaalsContact O-N 3.13Å; V180-S183 PolarHBondContact O-N 2.59Å; V180-S183 PolarHBondContact O-OG 3.47Å; S183-N185 PolarHBondContact O-N 3.44Å; S183-E186 PolarHBondContact O-N 2.85Å; S183-E186 VanDerWaalsContact O-N 3.14Å; S183-D187 PolarHBondContact O-N 3.17Å
184D61.3Low65.5Low61 Ų6172.4 Ų72.433%0.32636%0.355SS..Hα-helixtrans-64.3-44.3-175.7-60-12.5000110.6V180 E186 D187 D188V180-D184 WeakPolarHBondContact CG1-OD2 3.25Å; V180-D184 VanDerWaalsContact O-CG 3.29Å; V180-D184 PolarHBondContact O-N 3.29Å; D184-E186 PolarHBondContact O-N 3.45Å; D184-D187 PolarHBondContact O-N 3.17Å; D184-D188 PolarHBondContact O-N 3.19Å
185N57.7Low63.6Low94 Ų9474.5 Ų74.550%0.50337%0.369SS..Hα-helixtrans-62.5-22.6175.3-77.533.1000114.7Q181 S183 E189Q181-N185 WeakPolarHBondContact O-CB 3.36Å; Q181-N185 PolarHBondContact O-N 2.81Å; Q181-N185 PolarHBondContact O-OD1 3.38Å; S183-N185 PolarHBondContact O-N 3.44Å; N185-E189 PolarHBondContact O-N 2.92Å; N185-E189 VanDerWaalsContact O-N 3.12Å
186E55.2Low61.5Low39 Ų3982.1 Ų82.118%0.18240%0.403CS..Hα-helixtrans-91.7-22.9-179.6-70.3-168.6144.200112.8K10 Y182 S183 D184 D188 E190K10-E186 IonicContact NZ-OE1 2.65Å; K10-E186 PolarHBondContact NZ-OE1 3.2Å; K10-E186 IonicContact NZ-OE2 2.63Å; K10-E186 PolarHBondContact NZ-OE2 2.86Å; Y182-E186 HydrophobicContact CE2-CG 4.2Å; Y182-E186 VanDerWaalsContact CE2-OE1 3.32Å; Y182-E186 WeakPolarHBondContact CE2-OE1 3.48Å; Y182-E186 WeakPolarHBondContact O-CG 3.35Å; Y182-E186 VanDerWaalsContact OH-CD 3.27Å; Y182-E186 PolarHBondContact OH-OE1 3.41Å; Y182-E186 PolarHBondContact OH-OE2 3.06Å; S183-E186 PolarHBondContact O-N 2.85Å; S183-E186 VanDerWaalsContact O-N 3.14Å; D184-E186 PolarHBondContact O-N 3.45Å; E186-D188 VanDerWaalsContact C-N 3.33Å; E186-E190 PolarHBondContact O-N 3.43Å; E186-E190 VanDerWaalsContact O-N 3.13Å
187D52.2Low59.4Low100 Ų10087.7 Ų87.754%0.53543%0.427SS..Hα-helixtrans-62.9-43.2162.3-73.2-11.2000109.2S183 D184 E190 E191S183-D187 PolarHBondContact O-N 3.17Å; D184-D187 PolarHBondContact O-N 3.17Å; D187-E190 PolarHBondContact O-N 2.88Å; D187-E191 PolarHBondContact O-N 2.75Å
188D48.3Very low57.6Low102 Ų10289.7 Ų89.755%0.54544%0.441SS..Hα-helixtrans-63.7-45.5176.1-66.6-24.6000112.7D184 E186 E190 E191 E192D184-D188 PolarHBondContact O-N 3.19Å; E186-D188 VanDerWaalsContact C-N 3.33Å; D188-E190 VanDerWaalsContact C-N 3.35Å; D188-E190 PolarHBondContact O-N 3.1Å; D188-E191 PolarHBondContact O-N 3.3Å; D188-E191 VanDerWaalsContact O-N 3.16Å; D188-E192 PolarHBondContact O-N 2.94Å; D188-E192 VanDerWaalsContact O-N 3.09Å
189E47.4Very low55.5Low128 Ų12896.7 Ų96.760%0.59847%0.472SS*.Hα-helixtrans-65-32.6177.4-78.2-177.7-166.400112.8N185 E193N185-E189 PolarHBondContact O-N 2.92Å; N185-E189 VanDerWaalsContact O-N 3.12Å; E189-E193 PolarHBondContact O-N 3.29Å; E189-E193 VanDerWaalsContact O-N 3.12Å
190E48.4Very low53.4Low106 Ų106105.7 Ų105.750%0.49551%0.511SS..Hα-helixtrans-76-16.9173.5-73.5-162.1-17600113.2S8 E186 D187 D188 Q194S8-E190 WeakPolarHBondContact CB-OE1 3.43Å; S8-E190 PolarHBondContact OG-OE1 3.43Å; E186-E190 PolarHBondContact O-N 3.43Å; E186-E190 VanDerWaalsContact O-N 3.13Å; D187-E190 PolarHBondContact O-N 2.88Å; D188-E190 VanDerWaalsContact C-N 3.35Å; D188-E190 PolarHBondContact O-N 3.1Å; E190-Q194 WeakPolarHBondContact O-CG 3.28Å; E190-Q194 PolarHBondContact O-NE2 2.95Å
191E46.8Very low51.2Low137 Ų137112.7 Ų112.764%0.6454%0.544SS*.Hα-helixtrans-79.3-46.6167.3-72.3-165171.600112.1D187 D188 E193 Q194 D195D187-E191 PolarHBondContact O-N 2.75Å; D188-E191 PolarHBondContact O-N 3.3Å; D188-E191 VanDerWaalsContact O-N 3.16Å; E191-E193 VanDerWaalsContact C-N 3.3Å; E191-E193 PolarHBondContact O-N 3.5Å; E191-Q194 WeakPolarHBondContact O-CB 3.47Å; E191-Q194 PolarHBondContact O-N 2.68Å; E191-D195 PolarHBondContact O-N 2.98Å
192E47.1Very low49.3Very low140 Ų140114.7 Ų114.765%0.65455%0.554SS**Hα-helixtrans-60.3-37.5175.2-73.3-163.2167.800112.3D188 Q194 F196D188-E192 PolarHBondContact O-N 2.94Å; D188-E192 VanDerWaalsContact O-N 3.09Å; E192-Q194 PolarHBondContact O-N 3.36Å; E192-F196 PolarHBondContact O-N 3.27Å
193E44.4Very low47.5Very low125 Ų125119 Ų11958%0.58459%0.585SS**Hα-helixtrans-67.6-16.2174.7-116.7-146.7-143.200113.1E189 E191 K197E189-E193 PolarHBondContact O-N 3.29Å; E189-E193 VanDerWaalsContact O-N 3.12Å; E191-E193 VanDerWaalsContact C-N 3.3Å; E191-E193 PolarHBondContact O-N 3.5Å; E193-K197 WeakPolarHBondContact O-CG 3.37Å; E193-K197 PolarHBondContact O-NZ 3.09Å; E193-K197 IonicContact OE2-NZ 3.68Å; E193-K197 PolarHBondContact OE2-NZ 3.34Å
194Q47.2Very low45.7Very low121 Ų121123.3 Ų123.357%0.56561%0.614SS**Hα-helixtrans-84-46.7175.3-78.3174.991.800112.1E190 E191 E192 F196 K197 V198E190-Q194 WeakPolarHBondContact O-CG 3.28Å; E190-Q194 PolarHBondContact O-NE2 2.95Å; E191-Q194 WeakPolarHBondContact O-CB 3.47Å; E191-Q194 PolarHBondContact O-N 2.68Å; E192-Q194 PolarHBondContact O-N 3.36Å; Q194-F196 VanDerWaalsContact C-N 3.32Å; Q194-F196 PolarHBondContact O-N 2.8Å; Q194-K197 WeakPolarHBondContact O-CA 3.4Å; Q194-K197 WeakPolarHBondContact O-CB 3.38Å; Q194-K197 PolarHBondContact O-N 2.98Å; Q194-V198 PolarHBondContact O-N 3.2Å
195D47.1Very low44.2Very low120 Ų120128.5 Ų128.564%0.64264%0.642SS**Hα-helixtrans-61.1-40.1177.5-88.5-6.1000111.9E191 K197 V198 E199E191-D195 PolarHBondContact O-N 2.98Å; D195-K197 PolarHBondContact O-N 3.25Å; D195-V198 PolarHBondContact O-N 3.24Å; D195-E199 PolarHBondContact O-N 3.27Å
196F44.2Very low42.9Very low159 Ų159127.2 Ų127.270%0.69765%0.651SS**Hα-helixtrans-62.1-12.9173-97.3-75.5000114.9E192 Q194E192-F196 PolarHBondContact O-N 3.27Å; Q194-F196 VanDerWaalsContact C-N 3.32Å; Q194-F196 PolarHBondContact O-N 2.8Å
197K45.8Very low41.6Very low118 Ų118134.5 Ų134.551%0.51368%0.682SS.*Hα-helixtrans-93.4-21.2171.3-67.3-179.4-169.5800113E193 Q194 D195E193-K197 WeakPolarHBondContact O-CG 3.37Å; E193-K197 PolarHBondContact O-NZ 3.09Å; E193-K197 IonicContact OE2-NZ 3.68Å; E193-K197 PolarHBondContact OE2-NZ 3.34Å; Q194-K197 WeakPolarHBondContact O-CA 3.4Å; Q194-K197 WeakPolarHBondContact O-CB 3.38Å; Q194-K197 PolarHBondContact O-N 2.98Å; D195-K197 PolarHBondContact O-N 3.25Å
198V48.1Very low40.5Very low93 Ų93135.4 Ų135.456%0.56469%0.687SS**Hα-helixtrans-75.5-50.8178.7179.60000110.8Q194 D195 K200 M201Q194-V198 PolarHBondContact O-N 3.2Å; D195-V198 PolarHBondContact O-N 3.24Å; V198-K200 PolarHBondContact O-N 2.87Å; V198-M201 PolarHBondContact O-N 3.32Å; V198-M201 VanDerWaalsContact O-N 3.15Å
199E42Very low39.6Very low162 Ų162138.4 Ų138.476%0.75770%0.697SS**THydrogen-bonded Turntrans-56.7-25.3-177.7-71.8-158.2136.300113.9D195 M201D195-E199 PolarHBondContact O-N 3.27Å; E199-M201 VanDerWaalsContact C-N 3.33Å; E199-M201 PolarHBondContact O-N 2.55Å
200K38.3Very low39.3Very low190 Ų190137 Ų13783%0.82670%0.699SS**THydrogen-bonded Turntrans-874-174.7-152.4168.3-1751700114.6V198V198-K200 PolarHBondContact O-N 2.87Å
201M37.7Very low38.4Very low167 Ų167140.8 Ų140.882%0.82372%0.717SS**SBendtrans-119.8-5.1-172.8-167.3149.2149.200115.2V198 E199V198-M201 PolarHBondContact O-N 3.32Å; V198-M201 VanDerWaalsContact O-N 3.15Å; E199-M201 VanDerWaalsContact C-N 3.33Å; E199-M201 PolarHBondContact O-N 2.55Å
202E38Very low37.5Very low171 Ų171142 Ų14280%0.79973%0.728SS**  trans-115.193.4176.9-63-158.1148.500112.5
203T34.1Very low36.5Very low139 Ų139138.5 Ų138.585%0.85373%0.73SS**  trans-156.771165.520000112.4
204C28.9Very low35.5Very low117 Ų117138 Ų13879%0.79174%0.74SS**  trans-148.7133.2164.544.80000114.2
205D29.2Very low34.6Very low170 Ų170141.2 Ų141.291%0.90975%0.752SS**  trans65.3128.1163.3-76.1-58.1000124.3
206G29.9Very low33.5Very low67 Ų67140.7 Ų140.769%0.69175%0.749SS**  trans7497.9148.600000119
207K28.6Very low32.6Very low193 Ų193142.7 Ų142.784%0.83975%0.752SS**  52.913164.9-63.9-166.5175.8-173.40114.3
208D28.3Very low31.6Very low118 Ų118144.6 Ų144.663%0.63176%0.763SS**  cis-152.8136.732.6-100.2-49.9000115.2
209Q30Very low30.8Very low165 Ų165146.5 Ų146.577%0.77177%0.774SS**  54.4159.7128.2-73.1-1747900124.6
210P42.1Very low29.9Very low98 Ų98142.6 Ų142.664%0.63678%0.777SS**  cis-146.9176.7-30.942.2-24.3000117.3
211E29.8Very low29.6Very low187 Ų187140.6 Ų140.687%0.87478%0.776SS**  trans60.4156.9160.9-34.7-153.8130.900119.1
212D26.8Very low29Very low161 Ų161142 Ų14286%0.86178%0.78SS**  cis-146.9169.82.9-175.824.7000110.5
213G27Very low28.5Very low68 Ų68137 Ų13770%0.70178%0.775SS**  trans114.4104.1152.500000116.8
214S23.6Very low28.5Very low113 Ų113142.6 Ų142.679%0.7978%0.781SS**  trans-126.4131.3175.8176.90000112.6
215K27.4Very low28.3Very low189 Ų189142.4 Ų142.482%0.82278%0.78SS**  trans-178.7139.8141.6-103.9161.6-176.4172.40117.4
216D24.3Very low28.3Very low110 Ų110141.3 Ų141.359%0.58878%0.775SS**  trans40.7126.3144.2-74.8-59.6000124
217R25.9Very low28.2Very low201 Ų201144.1 Ų144.176%0.75878%0.784SS**  46.5134125.2-54.6174.4-160.3-144.4-3.6119.1
218H23.6Very low28.6Very low158 Ų158142.5 Ų142.573%0.73178%0.784SS**  cis-167.5157.338.8-114.1-42.7000112
219V31.1Very low28.8Very low133 Ų133140 Ų14081%0.80679%0.786SS**  trans35.6115.2146.9-175.90000119.5
220G23.2Very low29.2Very low80 Ų80140 Ų14083%0.82579%0.791SS**  trans-139.2137.6152.200000109.5
221N32.3Very low29.5Very low148 Ų148144.5 Ų144.579%0.79180%0.801SS**  trans-118.1114.4-172.4165.598.1000111.3
222E25.6Very low30.9Very low195 Ų195142.8 Ų142.891%0.91179%0.791SS**  trans-176.2147.4162.5-105.9157.4-147.300107.3
223G26Very low33.2Very low68 Ų68139.9 Ų139.970%0.70177%0.771SS**  cis-174.3138.7-10.400000108.9
224R34Very low35.7Very low255 Ų255137.1 Ų137.196%0.96274%0.74SS**  trans-71.3130.6179-84.5-179.6169171.8-5.3111.2
225S25.4Very low38.3Very low113 Ų113134.7 Ų134.779%0.7972%0.723SS**  trans-117.3138.3163.147.10000110.1
226N28.9Very low40.9Very low148 Ų148128.9 Ų128.979%0.79170%0.701SS**  trans-80.8132.3-178.1-71.1-3.4000111.4D228N226-D228 PolarHBondContact O-N 2.82Å
227S28.1Very low43.7Very low125 Ų125128 Ų12887%0.87469%0.692SS**  trans-9461.2166.745.80000111.4G229S227-G229 PolarHBondContact O-N 2.87Å
228D37.4Very low46.4Very low160 Ų160118.4 Ų118.486%0.85666%0.656SS**  trans-94.188.5178.5-149.8-11.5000110N226N226-D228 PolarHBondContact O-N 2.82Å
229G32.9Very low49.5Very low65 Ų65110.9 Ų110.967%0.6762%0.621SS**  trans-173.9135.5-177.200000114.3S227S227-G229 PolarHBondContact O-N 2.87Å
230N37.1Very low52.1Low164 Ų164109.6 Ų109.688%0.87761%0.606SS**  trans55.477.9178.7-74-2.2000116.8K232N230-K232 PolarHBondContact O-N 2.83Å
231K48.3Very low55Low194 Ų194106 Ų10684%0.84357%0.569SS**PPolyproline II helixtrans-63.3122.7146.6-69.9-175.7177.5-177.50108.7
232K60.7Low57.5Low150 Ų15099 Ų9965%0.65253%0.532SS*.PPolyproline II helixtrans-62.7150.4170.7-62.2169.2-172.3161.30109.2N230N230-K232 PolarHBondContact O-N 2.83Å
233F73.4Confident60.3Low101 Ų10190.7 Ų90.744%0.44350%0.495SS..PPolyproline II helixtrans-67.5141.6171.3-171.4-89.1000109.7F239 K256 Y259 K260F233-F239 AromaticContact CE1-CE2 3.85Å; F233-F239 HydrophobicContact CE1-CE2 3.85Å; F233-F239 HydrophobicContact CE1-CZ 4.36Å; F233-F239 HydrophobicContact CZ-CE2 4.31Å; F233-F239 HydrophobicContact CZ-CZ 4.38Å; F233-K256 HydrophobicContact CE1-CD 4.27Å; F233-K256 HydrophobicContact CE1-CG 3.84Å; F233-K256 HydrophobicContact CZ-CG 3.9Å; F233-Y259 HydrophobicContact CE2-CD1 4.36Å; F233-Y259 HydrophobicContact CZ-CD1 4.35Å; F233-K260 HydrophobicContact CE2-CG 3.81Å; F233-K260 HydrophobicContact CZ-CG 4.11Å
234P79.4Confident62.9Low10 Ų1089.7 Ų89.77%0.06548%0.477CS..PPolyproline II helixtrans-58.2143-175.3-21.529.7000113.5V176 V180 I238 F239 Y259V176-P234 HydrophobicContact CG1-CB 3.98Å; V176-P234 HydrophobicContact CG1-CG 3.77Å; V180-P234 HydrophobicContact CG2-CB 3.56Å; V180-P234 HydrophobicContact CG2-CG 3.79Å; P234-I238 HydrophobicContact CB-CD1 4.49Å; P234-F239 HydrophobicContact CB-CE2 3.81Å; P234-F239 HydrophobicContact CB-CZ 4.05Å; P234-F239 HydrophobicContact CG-CE2 4.4Å; P234-F239 HydrophobicContact CG-CZ 4.25Å; P234-Y259 HydrophobicContact CG-CD1 4.13Å; P234-Y259 HydrophobicContact CG-CE1 3.53Å
235S79.9Confident65.1Low61 Ų6178.9 Ų78.943%0.42744%0.438SS..PPolyproline II helixtrans-65.8139.3-179.6-177.10000112.6K237 I238S235-K237 PolarHBondContact O-N 3.13Å; S235-I238 VanDerWaalsContact O-CB 3.26Å; S235-I238 WeakPolarHBondContact O-CB 3.45Å; S235-I238 PolarHBondContact O-N 2.77Å
236D82Confident67.6Low67 Ų6773.6 Ų73.636%0.35840%0.4SS..Hα-helixtrans-61.8-28.8-177.3-70.7-26.1000113.3I238 F239 E240 K256D236-I238 PolarHBondContact O-N 2.6Å; D236-I238 VanDerWaalsContact O-N 3.1Å; D236-F239 PolarHBondContact O-N 2.86Å; D236-E240 PolarHBondContact O-N 2.74Å; D236-K256 WeakPolarHBondContact OD1-CD 3.18Å; D236-K256 WeakPolarHBondContact OD1-CE 3.32Å; D236-K256 IonicContact OD1-NZ 2.73Å; D236-K256 PolarHBondContact OD1-NZ 3.26Å; D236-K256 IonicContact OD2-NZ 2.71Å; D236-K256 PolarHBondContact OD2-NZ 3Å
237K81.5Confident69.7Low92 Ų9269.8 Ų69.840%0.438%0.384SS..Hα-helixtrans-54-28.8170.1-69.1-177.2173.1-178.10112.9D9 S235 A241D9-K237 IonicContact OD1-NZ 3.64Å; D9-K237 PolarHBondContact OD1-NZ 2.83Å; S235-K237 PolarHBondContact O-N 3.13Å; K237-A241 WeakPolarHBondContact O-CB 3.36Å; K237-A241 PolarHBondContact O-N 2.77Å
238I84.4Confident71.6Confident0 Ų065 Ų650%035%0.348CS..Hα-helixtrans-74.6-44.3177.5-58.1173.1000110.4W15 M179 V180 P234 S235 D236 A241 I242W15-I238 HydrophobicContact CZ3-CG1 4.13Å; M179-I238 HydrophobicContact CB-CD1 4.19Å; M179-I238 HydrophobicContact CB-CG1 4.47Å; M179-I238 HydrophobicContact CB-CG2 3.67Å; M179-I238 HydrophobicContact CG-CG2 4.2Å; V180-I238 HydrophobicContact CG2-CD1 3.99Å; P234-I238 HydrophobicContact CB-CD1 4.49Å; S235-I238 VanDerWaalsContact O-CB 3.26Å; S235-I238 WeakPolarHBondContact O-CB 3.45Å; S235-I238 PolarHBondContact O-N 2.77Å; D236-I238 PolarHBondContact O-N 2.6Å; D236-I238 VanDerWaalsContact O-N 3.1Å; I238-A241 PolarHBondContact O-N 2.6Å; I238-I242 HydrophobicContact CG2-CD1 3.81Å; I238-I242 HydrophobicContact CG2-CG1 4.5Å; I238-I242 WeakPolarHBondContact O-CG1 3.43Å; I238-I242 PolarHBondContact O-N 3.29Å
239F87.4Confident73.4Confident0 Ų060.6 Ų60.60%032%0.322CS..Hα-helixtrans-67.9-39.4179.4-66.8-70.2000111.8F172 V176 F233 P234 D236 A241 I242 S243 T252 L255 K256 Y259F172-F239 HydrophobicContact CZ-CE1 4.4Å; V176-F239 HydrophobicContact CG1-CE1 4.35Å; V176-F239 HydrophobicContact CG1-CZ 4.2Å; V176-F239 HydrophobicContact CG2-CE1 4.17Å; F233-F239 AromaticContact CE1-CE2 3.85Å; F233-F239 HydrophobicContact CE1-CE2 3.85Å; F233-F239 HydrophobicContact CE1-CZ 4.36Å; F233-F239 HydrophobicContact CZ-CE2 4.31Å; F233-F239 HydrophobicContact CZ-CZ 4.38Å; P234-F239 HydrophobicContact CB-CE2 3.81Å; P234-F239 HydrophobicContact CB-CZ 4.05Å; P234-F239 HydrophobicContact CG-CE2 4.4Å; P234-F239 HydrophobicContact CG-CZ 4.25Å; D236-F239 PolarHBondContact O-N 2.86Å; F239-A241 VanDerWaalsContact C-N 3.35Å; F239-A241 PolarHBondContact O-N 2.64Å; F239-I242 PolarHBondContact O-N 3.43Å; F239-S243 WeakPolarHBondContact O-CB 3.38Å; F239-S243 PolarHBondContact O-N 3.07Å; F239-T252 HydrophobicContact CB-CG2 3.73Å; F239-L255 HydrophobicContact CD1-CB 4.07Å; F239-K256 HydrophobicContact CD1-CB 4.3Å; F239-K256 HydrophobicContact CD2-CB 4.12Å; F239-K256 HydrophobicContact CD2-CD 4.45Å; F239-K256 HydrophobicContact CD2-CG 4.23Å; F239-K256 HydrophobicContact CE1-CB 4.44Å; F239-K256 HydrophobicContact CE2-CB 4.25Å; F239-K256 HydrophobicContact CE2-CG 4.08Å; F239-K256 HydrophobicContact CG-CB 4.15Å; F239-K256 HydrophobicContact CZ-CB 4.41Å; F239-K256 HydrophobicContact CZ-CG 4.47Å; F239-Y259 HydrophobicContact CE1-CG 4.09Å; F239-Y259 AromaticContact CZ-CD1 3.96Å; F239-Y259 HydrophobicContact CZ-CD1 3.96Å; F239-Y259 AromaticContact CZ-CG 3.98Å; F239-Y259 HydrophobicContact CZ-CG 3.98Å
240E85.6Confident75.3Confident106 Ų10658.1 Ų58.150%0.49530%0.296SS..Hα-helixtrans-56.8-47.6170.1-69.6174.9-168.700111.4D236 I242 S244 T252D236-E240 PolarHBondContact O-N 2.74Å; E240-I242 VanDerWaalsContact C-N 3.34Å; E240-I242 PolarHBondContact O-N 2.78Å; E240-S244 WeakPolarHBondContact O-CB 3.38Å; E240-S244 PolarHBondContact O-N 3.19Å; E240-S244 PolarHBondContact O-OG 3.33Å; E240-S244 VanDerWaalsContact O-OG 3.05Å; E240-T252 HydrophobicContact CG-CG2 3.9Å
241A85Confident77.4Confident5 Ų552 Ų524%0.04127%0.266CS..Hα-helixtrans-63.6-38.2179.600000112.5W15 V19 K237 I238 F239 S244 M245W15-A241 HydrophobicContact CB-CB 3.67Å; V19-A241 HydrophobicContact CG2-CB 4.06Å; K237-A241 WeakPolarHBondContact O-CB 3.36Å; K237-A241 PolarHBondContact O-N 2.77Å; I238-A241 PolarHBondContact O-N 2.6Å; F239-A241 VanDerWaalsContact C-N 3.35Å; F239-A241 PolarHBondContact O-N 2.64Å; A241-S244 PolarHBondContact O-OG 3.43Å; A241-S244 VanDerWaalsContact O-OG 3.07Å; A241-M245 VanDerWaalsContact O-CG 3.29Å; A241-M245 WeakPolarHBondContact O-CG 3.21Å; A241-M245 PolarHBondContact O-N 2.75Å
242I84.6Confident79Confident1 Ų144.1 Ų44.11%0.00524%0.235CC..Hα-helixtrans-74.6-46.4178.2-65.6169.5000111.5V19 F172 L175 V176 I238 F239 E240 S244 M245 F246 L255V19-I242 HydrophobicContact CG1-CG1 4.06Å; V19-I242 HydrophobicContact CG2-CG1 4.05Å; F172-I242 HydrophobicContact CD2-CG2 4.34Å; F172-I242 HydrophobicContact CE2-CG2 4.13Å; L175-I242 HydrophobicContact CD2-CD1 4.34Å; L175-I242 HydrophobicContact CD2-CG1 4.43Å; L175-I242 HydrophobicContact CG-CD1 4.31Å; V176-I242 HydrophobicContact CG2-CD1 3.7Å; I238-I242 HydrophobicContact CG2-CD1 3.81Å; I238-I242 HydrophobicContact CG2-CG1 4.5Å; I238-I242 WeakPolarHBondContact O-CG1 3.43Å; I238-I242 PolarHBondContact O-N 3.29Å; F239-I242 PolarHBondContact O-N 3.43Å; E240-I242 VanDerWaalsContact C-N 3.34Å; E240-I242 PolarHBondContact O-N 2.78Å; I242-S244 VanDerWaalsContact C-N 3.28Å; I242-S244 PolarHBondContact O-N 3.11Å; I242-M245 CarbonylContact O-C 3.54Å; I242-M245 WeakPolarHBondContact O-CA 3.28Å; I242-M245 PolarHBondContact O-N 3.29Å; I242-F246 HydrophobicContact CG2-CD2 3.91Å; I242-F246 HydrophobicContact CG2-CE2 4.47Å; I242-F246 PolarHBondContact O-N 2.59Å; I242-L255 HydrophobicContact CB-CD1 4.31Å; I242-L255 HydrophobicContact CG2-CD1 3.89Å
243S84.4Confident80.1Confident19 Ų1942.7 Ų42.713%0.13323%0.23CC..Hα-helixtrans-56.4-45.1175177.30000110.6F239 M245 F246 P247 G250F239-S243 WeakPolarHBondContact O-CB 3.38Å; F239-S243 PolarHBondContact O-N 3.07Å; S243-M245 PolarHBondContact O-N 2.67Å; S243-F246 CarbonylContact O-C 3.55Å; S243-F246 PolarHBondContact O-N 3.28Å; S243-P247 WeakPolarHBondContact O-CA 3.44Å; S243-P247 VanDerWaalsContact O-N 3.12Å; S243-G250 WeakPolarHBondContact CB-O 3.3Å; S243-G250 PolarHBondContact OG-O 2.99Å
244S81Confident80.6Confident47 Ų4742.9 Ų42.933%0.32923%0.232SC..THydrogen-bonded Turntrans-70.6-0.9177.981.30000115.3K16 E240 A241 I242K16-S244 WeakPolarHBondContact CE-OG 3.4Å; K16-S244 VanDerWaalsContact NZ-CB 3.32Å; K16-S244 PolarHBondContact NZ-O 3.24Å; K16-S244 PolarHBondContact NZ-OG 3.05Å; E240-S244 WeakPolarHBondContact O-CB 3.38Å; E240-S244 PolarHBondContact O-N 3.19Å; E240-S244 PolarHBondContact O-OG 3.33Å; E240-S244 VanDerWaalsContact O-OG 3.05Å; A241-S244 PolarHBondContact O-OG 3.43Å; A241-S244 VanDerWaalsContact O-OG 3.07Å; I242-S244 VanDerWaalsContact C-N 3.28Å; I242-S244 PolarHBondContact O-N 3.11Å
245M80.1Confident80.8Confident28 Ų2842.5 Ų42.514%0.13823%0.23CC..THydrogen-bonded Turntrans-112.4-17.4170.7-73.5-62.5-51.500112.8K16 V19 K20 C164 A241 I242 S243K16-M245 HydrophobicContact CB-CG 4.28Å; K16-M245 HydrophobicContact CB-SD 3.83Å; K16-M245 HydrophobicContact CD-SD 4.09Å; K16-M245 HydrophobicContact CG-CG 4.21Å; K16-M245 HydrophobicContact CG-SD 4.06Å; V19-M245 HydrophobicContact CG1-CB 4.35Å; V19-M245 HydrophobicContact CG1-CG 4.14Å; K20-M245 HydrophobicContact CB-CE 4.14Å; K20-M245 HydrophobicContact CD-CE 4.04Å; K20-M245 HydrophobicContact CG-CE 4.28Å; C164-M245 HydrophobicContact CB-CE 4.31Å; C164-M245 WeakPolarHBondContact SG-CE 3.49Å; A241-M245 VanDerWaalsContact O-CG 3.29Å; A241-M245 WeakPolarHBondContact O-CG 3.21Å; A241-M245 PolarHBondContact O-N 2.75Å; I242-M245 CarbonylContact O-C 3.54Å; I242-M245 WeakPolarHBondContact O-CA 3.28Å; I242-M245 PolarHBondContact O-N 3.29Å; S243-M245 PolarHBondContact O-N 2.67Å
246F78.2Confident81.1Confident2 Ų242.2 Ų42.21%0.00922%0.221CC..  trans-139.867.6178.9-57.5-71.5000111.1Y23 R162 C164 I167 L175 I242 S243 D248 K249Y23-F246 HydrophobicContact CD2-CZ 4.03Å; Y23-F246 HydrophobicContact CE2-CZ 4.15Å; Y23-F246 HydrophobicContact CG-CZ 4.27Å; R162-F246 VanDerWaalsContact NH1-CD1 3.3Å; C164-F246 HydrophobicContact CB-CE1 4.11Å; I167-F246 HydrophobicContact CB-CD1 4.47Å; I167-F246 HydrophobicContact CB-CE1 4.11Å; I167-F246 HydrophobicContact CB-CZ 4.21Å; I167-F246 HydrophobicContact CD1-CD2 4.14Å; I167-F246 HydrophobicContact CD1-CE2 3.72Å; I167-F246 HydrophobicContact CD1-CZ 3.99Å; I167-F246 HydrophobicContact CG2-CD1 3.85Å; I167-F246 HydrophobicContact CG2-CD2 4.49Å; I167-F246 HydrophobicContact CG2-CE1 4.01Å; I167-F246 HydrophobicContact CG2-CG 4.09Å; I167-F246 HydrophobicContact CG2-CZ 4.4Å; L175-F246 HydrophobicContact CD2-CE2 4.31Å; I242-F246 HydrophobicContact CG2-CD2 3.91Å; I242-F246 HydrophobicContact CG2-CE2 4.47Å; I242-F246 PolarHBondContact O-N 2.59Å; S243-F246 CarbonylContact O-C 3.55Å; S243-F246 PolarHBondContact O-N 3.28Å; F246-D248 PolarHBondContact O-N 3.04Å; F246-D248 VanDerWaalsContact O-N 3.13Å; F246-K249 HydrophobicContact CB-CB 4.18Å; F246-K249 HydrophobicContact CB-CG 4.07Å; F246-K249 PolarHBondContact O-N 3.46Å
247P71.9Confident81.2Confident69 Ų6944.8 Ų44.845%0.44823%0.231SC..G310 helixtrans-62.5-24.4-174.8-22.735000113.5S243 K249 G250S243-P247 WeakPolarHBondContact O-CA 3.44Å; S243-P247 VanDerWaalsContact O-N 3.12Å; P247-K249 PolarHBondContact O-N 3.31Å; P247-G250 PolarHBondContact O-N 2.83Å
248D69.3Low81.4Confident24 Ų2443.2 Ų43.213%0.12822%0.224CC..G310 helixtrans-77.84.517573.9-31.9000114.2R162 F246R162-D248 IonicContact CZ-OD1 3.18Å; R162-D248 VanDerWaalsContact CZ-OD1 3.3Å; R162-D248 IonicContact CZ-OD2 3.4Å; R162-D248 IonicContact NE-OD1 2.69Å; R162-D248 PolarHBondContact NE-OD1 3.21Å; R162-D248 IonicContact NE-OD2 2.67Å; R162-D248 PolarHBondContact NE-OD2 3.26Å; R162-D248 IonicContact NH2-OD1 3.13Å; R162-D248 PolarHBondContact NH2-OD1 3.12Å; R162-D248 IonicContact NH2-OD2 3.44Å; R162-D248 PolarHBondContact NH2-OD2 3.01Å; F246-D248 PolarHBondContact O-N 3.04Å; F246-D248 VanDerWaalsContact O-N 3.13Å
249K73.9Confident81.5Confident68 Ų6844 Ų4430%0.29623%0.227SC..G310 helixtrans-109.8-1.3172.5-64-57.6-179.2-156.30114.1I167 F246 P247 L255I167-K249 HydrophobicContact CG2-CD 4.43Å; I167-K249 HydrophobicContact CG2-CG 3.87Å; F246-K249 HydrophobicContact CB-CB 4.18Å; F246-K249 HydrophobicContact CB-CG 4.07Å; F246-K249 PolarHBondContact O-N 3.46Å; P247-K249 PolarHBondContact O-N 3.31Å; K249-L255 HydrophobicContact CB-CD2 3.95Å; K249-L255 VanDerWaalsContact O-CD2 3.24Å; K249-L255 WeakPolarHBondContact O-CD2 3.34Å
250G72.9Confident81.3Confident13 Ų1347.8 Ų47.813%0.13424%0.243CC..  trans117.6179.3168.500000115S243 P247 E254S243-G250 WeakPolarHBondContact CB-O 3.3Å; S243-G250 PolarHBondContact OG-O 2.99Å; P247-G250 PolarHBondContact O-N 2.83Å; G250-E254 WeakPolarHBondContact CA-OE2 3.5Å
251S81.1Confident81.1Confident36 Ų3648.4 Ų48.425%0.25225%0.246SC..  trans-66.9172.3173.989.30000112.4E253 E254 L255S251-E253 VanDerWaalsContact CB-OE2 3.25Å; S251-E253 WeakPolarHBondContact CB-OE2 3.3Å; S251-E253 PolarHBondContact O-N 3.14Å; S251-E253 PolarHBondContact OG-N 3.12Å; S251-E253 VanDerWaalsContact OG-N 3.13Å; S251-E253 PolarHBondContact OG-OE2 2.88Å; S251-E254 PolarHBondContact N-OE2 3.44Å; S251-E254 PolarHBondContact O-N 3.43Å; S251-E254 PolarHBondContact OG-N 3.35Å; S251-E254 VanDerWaalsContact OG-N 3.16Å; S251-L255 WeakPolarHBondContact O-CB 3.25Å; S251-L255 WeakPolarHBondContact O-CG 3.48Å; S251-L255 PolarHBondContact O-N 2.79Å
252T83.4Confident81.1Confident28 Ų2849.9 Ų49.917%0.17225%0.253CS..Hα-helixtrans-54.9-40.8171.6-58.90000111.4F239 E240 K256F239-T252 HydrophobicContact CB-CG2 3.73Å; E240-T252 HydrophobicContact CG-CG2 3.9Å; T252-K256 WeakPolarHBondContact O-CB 3.26Å; T252-K256 PolarHBondContact O-N 3.47Å; T252-K256 VanDerWaalsContact O-N 3.08Å
253E83.6Confident80.8Confident119 Ų11952.1 Ų52.156%0.55627%0.267SS*.Hα-helixtrans-70.3-50-179.9-57.668.5-14900111.2S251 L255 K256 E257S251-E253 VanDerWaalsContact CB-OE2 3.25Å; S251-E253 WeakPolarHBondContact CB-OE2 3.3Å; S251-E253 PolarHBondContact O-N 3.14Å; S251-E253 PolarHBondContact OG-N 3.12Å; S251-E253 VanDerWaalsContact OG-N 3.13Å; S251-E253 PolarHBondContact OG-OE2 2.88Å; E253-L255 VanDerWaalsContact C-N 3.32Å; E253-L255 PolarHBondContact O-N 3.47Å; E253-K256 CarbonylContact O-C 3.14Å; E253-K256 WeakPolarHBondContact O-CA 3.36Å; E253-K256 WeakPolarHBondContact O-CB 3.32Å; E253-K256 PolarHBondContact O-N 3.04Å; E253-E257 PolarHBondContact O-N 3.02Å
254E83.4Confident80.1Confident105 Ų10556.1 Ų56.149%0.49128%0.284SS..Hα-helixtrans-59.6-41.3179.2-67.4167.1179.500111.5G250 S251 K258G250-E254 WeakPolarHBondContact CA-OE2 3.5Å; S251-E254 PolarHBondContact N-OE2 3.44Å; S251-E254 PolarHBondContact O-N 3.43Å; S251-E254 PolarHBondContact OG-N 3.35Å; S251-E254 VanDerWaalsContact OG-N 3.16Å; E254-K258 WeakPolarHBondContact O-CB 3.44Å; E254-K258 PolarHBondContact O-N 2.86Å
255L84.4Confident78.8Confident3 Ų360.8 Ų60.82%0.01630%0.3CS..Hα-helixtrans-67-36.3173.2-70.4-176.2000112.9F172 F239 I242 K249 S251 E253 Y259F172-L255 HydrophobicContact CE2-CB 4.38Å; F172-L255 HydrophobicContact CE2-CD1 4.49Å; F172-L255 HydrophobicContact CE2-CD2 3.91Å; F172-L255 HydrophobicContact CZ-CB 4.11Å; F172-L255 HydrophobicContact CZ-CD2 4.03Å; F172-L255 WeakPolarHBondContact CZ-O 3.4Å; F239-L255 HydrophobicContact CD1-CB 4.07Å; I242-L255 HydrophobicContact CB-CD1 4.31Å; I242-L255 HydrophobicContact CG2-CD1 3.89Å; K249-L255 HydrophobicContact CB-CD2 3.95Å; K249-L255 VanDerWaalsContact O-CD2 3.24Å; K249-L255 WeakPolarHBondContact O-CD2 3.34Å; S251-L255 WeakPolarHBondContact O-CB 3.25Å; S251-L255 WeakPolarHBondContact O-CG 3.48Å; S251-L255 PolarHBondContact O-N 2.79Å; E253-L255 VanDerWaalsContact C-N 3.32Å; E253-L255 PolarHBondContact O-N 3.47Å; L255-Y259 WeakPolarHBondContact O-CB 3.26Å; L255-Y259 PolarHBondContact O-N 3.17Å
256K86Confident77.4Confident55 Ų5565.8 Ų65.824%0.23932%0.323CS..Hα-helixtrans-70-37.2179.1179.9175.1178.8174.20111.9F233 D236 F239 T252 E253 K260F233-K256 HydrophobicContact CE1-CD 4.27Å; F233-K256 HydrophobicContact CE1-CG 3.84Å; F233-K256 HydrophobicContact CZ-CG 3.9Å; D236-K256 WeakPolarHBondContact OD1-CD 3.18Å; D236-K256 WeakPolarHBondContact OD1-CE 3.32Å; D236-K256 IonicContact OD1-NZ 2.73Å; D236-K256 PolarHBondContact OD1-NZ 3.26Å; D236-K256 IonicContact OD2-NZ 2.71Å; D236-K256 PolarHBondContact OD2-NZ 3Å; F239-K256 HydrophobicContact CD1-CB 4.3Å; F239-K256 HydrophobicContact CD2-CB 4.12Å; F239-K256 HydrophobicContact CD2-CD 4.45Å; F239-K256 HydrophobicContact CD2-CG 4.23Å; F239-K256 HydrophobicContact CE1-CB 4.44Å; F239-K256 HydrophobicContact CE2-CB 4.25Å; F239-K256 HydrophobicContact CE2-CG 4.08Å; F239-K256 HydrophobicContact CG-CB 4.15Å; F239-K256 HydrophobicContact CZ-CB 4.41Å; F239-K256 HydrophobicContact CZ-CG 4.47Å; T252-K256 WeakPolarHBondContact O-CB 3.26Å; T252-K256 PolarHBondContact O-N 3.47Å; T252-K256 VanDerWaalsContact O-N 3.08Å; E253-K256 CarbonylContact O-C 3.14Å; E253-K256 WeakPolarHBondContact O-CA 3.36Å; E253-K256 WeakPolarHBondContact O-CB 3.32Å; E253-K256 PolarHBondContact O-N 3.04Å; K256-K260 WeakPolarHBondContact O-CG 3.37Å; K256-K260 PolarHBondContact O-N 3.29Å
257E83.6Confident75.8Confident120 Ų12071.5 Ų71.556%0.56135%0.353SS*.Hα-helixtrans-71.3-48.5173.1-67.7-170.3152.800111.2E253 Y259 K260 E261E253-E257 PolarHBondContact O-N 3.02Å; E257-Y259 PolarHBondContact O-N 3.15Å; E257-K260 WeakPolarHBondContact O-CA 3.35Å; E257-K260 WeakPolarHBondContact O-CB 3.49Å; E257-K260 PolarHBondContact O-N 3.17Å; E257-E261 PolarHBondContact O-N 2.9Å
258K85.2Confident74.2Confident60 Ų6074.7 Ų74.726%0.26137%0.374SS..Hα-helixtrans-56.4-34.2174.2179.9164.5179.2167.90113.3D169 F172 E254 L262D169-K258 WeakPolarHBondContact OD1-CE 3.49Å; D169-K258 IonicContact OD1-NZ 3.29Å; D169-K258 PolarHBondContact OD1-NZ 3.39Å; D169-K258 IonicContact OD2-NZ 3.65Å; F172-K258 HydrophobicContact CE1-CG 4.29Å; E254-K258 WeakPolarHBondContact O-CB 3.44Å; E254-K258 PolarHBondContact O-N 2.86Å; K258-L262 HydrophobicContact CD-CD1 4.46Å; K258-L262 HydrophobicContact CG-CD1 3.76Å; K258-L262 HydrophobicContact CG-CG 4.33Å; K258-L262 WeakPolarHBondContact O-CB 3.34Å; K258-L262 WeakPolarHBondContact O-CD1 3.2Å; K258-L262 VanDerWaalsContact O-CG 3.24Å; K258-L262 WeakPolarHBondContact O-CG 3.4Å; K258-L262 PolarHBondContact O-N 3.41Å; K258-L262 VanDerWaalsContact O-N 3.09Å
259Y86.8Confident73.4Confident17 Ų1777.3 Ų77.37%0.06741%0.407CS..Hα-helixtrans-67.8-37.3174.3-178.6-98.3000112.9F172 V173 V176 N177 F233 P234 F239 L255 E257 T263F172-Y259 HydrophobicContact CE1-CD2 4.32Å; V173-Y259 HydrophobicContact CG1-CE2 4.26Å; V176-Y259 HydrophobicContact CB-CD2 3.77Å; V176-Y259 HydrophobicContact CB-CE2 3.52Å; V176-Y259 HydrophobicContact CG1-CD1 4.41Å; V176-Y259 HydrophobicContact CG1-CD2 3.72Å; V176-Y259 HydrophobicContact CG1-CE1 4.16Å; V176-Y259 HydrophobicContact CG1-CE2 3.4Å; V176-Y259 VanDerWaalsContact CG1-CE2 3.4Å; V176-Y259 HydrophobicContact CG1-CG 4.21Å; V176-Y259 HydrophobicContact CG2-CD2 3.93Å; V176-Y259 HydrophobicContact CG2-CE2 4.22Å; N177-Y259 PolarHBondContact ND2-OH 3.32Å; N177-Y259 VanDerWaalsContact ND2-OH 3.09Å; F233-Y259 HydrophobicContact CE2-CD1 4.36Å; F233-Y259 HydrophobicContact CZ-CD1 4.35Å; P234-Y259 HydrophobicContact CG-CD1 4.13Å; P234-Y259 HydrophobicContact CG-CE1 3.53Å; F239-Y259 HydrophobicContact CE1-CG 4.09Å; F239-Y259 AromaticContact CZ-CD1 3.96Å; F239-Y259 HydrophobicContact CZ-CD1 3.96Å; F239-Y259 AromaticContact CZ-CG 3.98Å; F239-Y259 HydrophobicContact CZ-CG 3.98Å; L255-Y259 WeakPolarHBondContact O-CB 3.26Å; L255-Y259 PolarHBondContact O-N 3.17Å; E257-Y259 PolarHBondContact O-N 3.15Å; Y259-T263 HydrophobicContact CD2-CG2 4.29Å; Y259-T263 HydrophobicContact CE1-CG2 4.02Å; Y259-T263 HydrophobicContact CE2-CG2 3.78Å; Y259-T263 WeakPolarHBondContact O-CB 3.42Å; Y259-T263 WeakPolarHBondContact O-CG2 3.4Å; Y259-T263 PolarHBondContact O-N 3.32Å; Y259-T263 PolarHBondContact O-OG1 3.15Å
260K83.4Confident72.2Confident79 Ų7976.8 Ų76.834%0.34342%0.415SS..Hα-helixtrans-61.3-54.1172.2-64.2168.1-173.7172.10110.2F233 K256 E257 L262 T263 E264F233-K260 HydrophobicContact CE2-CG 3.81Å; F233-K260 HydrophobicContact CZ-CG 4.11Å; K256-K260 WeakPolarHBondContact O-CG 3.37Å; K256-K260 PolarHBondContact O-N 3.29Å; E257-K260 WeakPolarHBondContact O-CA 3.35Å; E257-K260 WeakPolarHBondContact O-CB 3.49Å; E257-K260 PolarHBondContact O-N 3.17Å; K260-L262 VanDerWaalsContact C-N 3.32Å; K260-L262 PolarHBondContact O-N 3.36Å; K260-T263 PolarHBondContact O-N 2.86Å; K260-T263 PolarHBondContact O-OG1 2.92Å; K260-T263 VanDerWaalsContact O-OG1 3.12Å; K260-E264 WeakPolarHBondContact O-CB 3.1Å; K260-E264 WeakPolarHBondContact O-CG 3.31Å; K260-E264 PolarHBondContact O-N 2.87Å
261E82Confident71.3Confident118 Ų11881 Ų8155%0.55143%0.434SS*.Hα-helixtrans-52.2-49.5-179.9-64.9-173.3144.600112.2E257 T263 Q265E257-E261 PolarHBondContact O-N 2.9Å; E261-T263 VanDerWaalsContact C-N 3.27Å; E261-T263 PolarHBondContact O-N 2.87Å; E261-Q265 WeakPolarHBondContact O-CB 3.49Å; E261-Q265 WeakPolarHBondContact O-CG 3.39Å; E261-Q265 PolarHBondContact O-N 2.93Å; E261-Q265 VanDerWaalsContact O-N 3.12Å
262L83.2Confident70.3Confident37 Ų3781.8 Ų81.819%0.19444%0.438CS..Hα-helixtrans-73-13.6-177.2-67.9171.2000114.7D169 F172 V173 K258 K260 Q266D169-L262 HydrophobicContact CB-CD1 3.8Å; D169-L262 HydrophobicContact CB-CD2 4.12Å; F172-L262 HydrophobicContact CD1-CD1 3.96Å; F172-L262 HydrophobicContact CE1-CD1 4.36Å; V173-L262 HydrophobicContact CG2-CB 3.64Å; V173-L262 HydrophobicContact CG2-CD1 4.02Å; V173-L262 HydrophobicContact CG2-CG 4.48Å; K258-L262 HydrophobicContact CD-CD1 4.46Å; K258-L262 HydrophobicContact CG-CD1 3.76Å; K258-L262 HydrophobicContact CG-CG 4.33Å; K258-L262 WeakPolarHBondContact O-CB 3.34Å; K258-L262 WeakPolarHBondContact O-CD1 3.2Å; K258-L262 VanDerWaalsContact O-CG 3.24Å; K258-L262 WeakPolarHBondContact O-CG 3.4Å; K258-L262 PolarHBondContact O-N 3.41Å; K258-L262 VanDerWaalsContact O-N 3.09Å; K260-L262 VanDerWaalsContact C-N 3.32Å; K260-L262 PolarHBondContact O-N 3.36Å; L262-Q266 PolarHBondContact O-NE2 2.65Å
263T79.5Confident69.3Low48 Ų4886.8 Ų86.829%0.29447%0.472SS..Hα-helixtrans-100.7-36.5175.750.20000112.4V173 Y259 K260 E261V173-T263 HydrophobicContact CG1-CG2 4.07Å; Y259-T263 HydrophobicContact CD2-CG2 4.29Å; Y259-T263 HydrophobicContact CE1-CG2 4.02Å; Y259-T263 HydrophobicContact CE2-CG2 3.78Å; Y259-T263 WeakPolarHBondContact O-CB 3.42Å; Y259-T263 WeakPolarHBondContact O-CG2 3.4Å; Y259-T263 PolarHBondContact O-N 3.32Å; Y259-T263 PolarHBondContact O-OG1 3.15Å; K260-T263 PolarHBondContact O-N 2.86Å; K260-T263 PolarHBondContact O-OG1 2.92Å; K260-T263 VanDerWaalsContact O-OG1 3.12Å; E261-T263 VanDerWaalsContact C-N 3.27Å; E261-T263 PolarHBondContact O-N 2.87Å
264E68.8Low68.5Low103 Ų10390 Ų9048%0.48149%0.486SS..Hα-helixtrans-69.4-33.4175.5-69.2177.8-151.400112.3K260 Q266K260-E264 WeakPolarHBondContact O-CB 3.1Å; K260-E264 WeakPolarHBondContact O-CG 3.31Å; K260-E264 PolarHBondContact O-N 2.87Å; E264-Q266 PolarHBondContact O-N 2.71Å; E264-Q266 VanDerWaalsContact O-N 3.12Å
265Q55Low68.1Low144 Ų14488 Ų8867%0.67348%0.484SS*.THydrogen-bonded Turntrans-67.2-7.6178.5-75.6174.326.500115.2E261 L267E261-Q265 WeakPolarHBondContact O-CB 3.49Å; E261-Q265 WeakPolarHBondContact O-CG 3.39Å; E261-Q265 PolarHBondContact O-N 2.93Å; E261-Q265 VanDerWaalsContact O-N 3.12Å; Q265-L267 VanDerWaalsContact C-N 3.35Å; Q265-L267 PolarHBondContact O-N 3.39Å
266Q50Low68Low133 Ų13390.4 Ų90.462%0.62150%0.498SS*.THydrogen-bonded Turntrans-840-172.8-61.2-167.621.600115.3L262 E264 P268L262-Q266 PolarHBondContact O-NE2 2.65Å; E264-Q266 PolarHBondContact O-N 2.71Å; E264-Q266 VanDerWaalsContact O-N 3.12Å; Q266-P268 WeakPolarHBondContact O-CD 3.36Å
267L43.8Very low68Low122 Ų12288.7 Ų88.764%0.63949%0.493SS*.SBendtrans-105.8104.8176.6-73.9175.3000111.7Q265 G269 A270Q265-L267 VanDerWaalsContact C-N 3.35Å; Q265-L267 PolarHBondContact O-N 3.39Å; L267-G269 PolarHBondContact O-N 3.37Å; L267-A270 HydrophobicContact CB-CB 3.69Å; L267-A270 HydrophobicContact CD1-CB 4.38Å; L267-A270 PolarHBondContact O-N 3.37Å; L267-A270 VanDerWaalsContact O-N 3.16Å
268P39.1Very low68.3Low136 Ų13687.7 Ų87.788%0.88349%0.491SS*.THydrogen-bonded Turntrans-60.1113.1-177.2-2535.2000112.8Q266Q266-P268 WeakPolarHBondContact O-CD 3.36Å
269G51.4Low68.5Low80 Ų8087.9 Ų87.983%0.82550%0.495SS*.THydrogen-bonded Turntrans86.61177.100000115.8L267 L271L267-G269 PolarHBondContact O-N 3.37Å; G269-L271 PolarHBondContact O-N 3.32Å
270A49.9Very low68.7Low57 Ų5794.3 Ų94.347%0.47153%0.53SS..  trans-78.7113.1167.300000109.6L267L267-A270 HydrophobicContact CB-CB 3.69Å; L267-A270 HydrophobicContact CD1-CB 4.38Å; L267-A270 PolarHBondContact O-N 3.37Å; L267-A270 VanDerWaalsContact O-N 3.16Å
271L53.7Low68.9Low101 Ų10191.1 Ų91.153%0.52952%0.519SS..  trans-71.9141163.9-73.2171000109G269 C275 P277G269-L271 PolarHBondContact O-N 3.32Å; L271-C275 HydrophobicContact CB-CB 4.16Å; L271-C275 HydrophobicContact CD2-CB 4.45Å; L271-P277 HydrophobicContact CD1-CB 4.05Å; L271-P277 HydrophobicContact CD1-CG 4.03Å
272P60.4Low69.2Low52 Ų5291.8 Ų91.834%0.33853%0.534SS..  trans-51.8149.7171.3-27.134.4000111.8E274 C275P272-E274 PolarHBondContact O-N 3.43Å; P272-C275 HydrophobicContact CB-CB 4.47Å; P272-C275 WeakPolarHBondContact O-CB 3.3Å; P272-C275 PolarHBondContact O-N 3.09Å
273P61.3Low69.3Low134 Ų13495.5 Ų95.587%0.8755%0.554SS**THydrogen-bonded Turntrans-61.8-20.6-170.323.8-34.3000114.5
274E66.9Low69.8Low186 Ų18694.4 Ų94.487%0.86955%0.55SS*.THydrogen-bonded Turntrans-94-12.2177.7-57.2-172.5159.700113P272 T276P272-E274 PolarHBondContact O-N 3.43Å; E274-T276 PolarHBondContact O-N 3.18Å
275C75.9Confident70.7Confident64 Ų6498.3 Ų98.343%0.43256%0.56SS.*PPolyproline II helixtrans-78121.5176.5-69.40000111.5L271 P272 P277L271-C275 HydrophobicContact CB-CB 4.16Å; L271-C275 HydrophobicContact CD2-CB 4.45Å; P272-C275 HydrophobicContact CB-CB 4.47Å; P272-C275 WeakPolarHBondContact O-CB 3.3Å; P272-C275 PolarHBondContact O-N 3.09Å; C275-P277 WeakPolarHBondContact O-CD 3.12Å
276T82.7Confident72.4Confident52 Ų5294.6 Ų94.632%0.31955%0.55SS..PPolyproline II helixtrans-76.8125.1173.8-66.90000110.4E274 V287 Q291E274-T276 PolarHBondContact O-N 3.18Å; T276-V287 HydrophobicContact CG2-CG1 4.39Å; T276-V287 HydrophobicContact CG2-CG2 3.83Å; T276-Q291 PolarHBondContact OG1-O 2.84Å
277P85.7Confident74.3Confident20 Ų2089.3 Ų89.313%0.1353%0.526CS..PPolyproline II helixtrans-59.8152.4174.9-23.233.7000112.6L271 C275 I279 N283 R285L271-P277 HydrophobicContact CD1-CB 4.05Å; L271-P277 HydrophobicContact CD1-CG 4.03Å; C275-P277 WeakPolarHBondContact O-CD 3.12Å; P277-I279 PolarHBondContact O-N 3.28Å; P277-N283 WeakPolarHBondContact CB-O 3.46Å; P277-R285 HydrophobicContact CG-CG 4.27Å
278N88.6Confident76.5Confident99 Ų9987.7 Ų87.753%0.52952%0.516SS..PPolyproline II helixtrans-63.6132.617964.7-48.1000111.5D280 G281N278-D280 VanDerWaalsContact C-N 3.28Å; N278-D280 PolarHBondContact O-N 2.71Å; N278-G281 VanDerWaalsContact ND2-CA 3.31Å; N278-G281 WeakPolarHBondContact ND2-CA 3.48Å; N278-G281 PolarHBondContact ND2-N 2.84Å; N278-G281 PolarHBondContact O-N 2.73Å
279I90.4Very high78.9Confident64 Ų6484.1 Ų84.133%0.32849%0.485SS..THydrogen-bonded Turntrans-66.5-30.8-173.2-160.4170.7000112.5P277 G281 A284 A448 L452P277-I279 PolarHBondContact O-N 3.28Å; I279-G281 VanDerWaalsContact C-N 3.26Å; I279-G281 PolarHBondContact O-N 3.03Å; I279-A284 WeakPolarHBondContact O-CB 3.2Å; I279-A448 HydrophobicContact CG1-CB 3.95Å; I279-A448 VanDerWaalsContact O-CB 3.26Å; I279-A448 WeakPolarHBondContact O-CB 3.23Å; I279-L452 HydrophobicContact CD1-CB 4.02Å
280D91.1Very high80.6Confident152 Ų15284.2 Ų84.281%0.81346%0.463SS*.THydrogen-bonded Turntrans-855.6175.8-41.5-80.3000113.1N278N278-D280 VanDerWaalsContact C-N 3.28Å; N278-D280 PolarHBondContact O-N 2.71Å
281G88.2Confident82.4Confident11 Ų1186.2 Ų86.211%0.11346%0.463CS..SBendtrans-96158.1-174.500000114.3N278 I279 N283 A284N278-G281 VanDerWaalsContact ND2-CA 3.31Å; N278-G281 WeakPolarHBondContact ND2-CA 3.48Å; N278-G281 PolarHBondContact ND2-N 2.84Å; N278-G281 PolarHBondContact O-N 2.73Å; I279-G281 VanDerWaalsContact C-N 3.26Å; I279-G281 PolarHBondContact O-N 3.03Å; G281-N283 PolarHBondContact O-N 3.15Å; G281-N283 VanDerWaalsContact O-N 3.13Å; G281-A284 WeakPolarHBondContact O-CB 3.29Å; G281-A284 PolarHBondContact O-N 3.31Å; G281-A284 VanDerWaalsContact O-N 3.15Å
282P87Confident84.1Confident133 Ų13382.6 Ų82.686%0.86445%0.446SS*.THydrogen-bonded Turntrans-63.5-19.9175.928.2-35.8000113.1
283N86.8Confident85.6Confident115 Ų11581.6 Ų81.662%0.61544%0.438SS*.THydrogen-bonded Turntrans-97.515.2-179.9-65.3-12.6000113.1P277 G281 R285P277-N283 WeakPolarHBondContact CB-O 3.46Å; G281-N283 PolarHBondContact O-N 3.15Å; G281-N283 VanDerWaalsContact O-N 3.13Å; N283-R285 PolarHBondContact O-N 3.37Å
284A88.6Confident86.9Confident24 Ų2480.1 Ų80.120%0.19842%0.419CS..  trans-60.3116-177.400000112.3I279 G281 A448I279-A284 WeakPolarHBondContact O-CB 3.2Å; G281-A284 WeakPolarHBondContact O-CB 3.29Å; G281-A284 PolarHBondContact O-N 3.31Å; G281-A284 VanDerWaalsContact O-N 3.15Å; A284-A448 HydrophobicContact CB-CB 4.08Å
285R88.2Confident88Confident186 Ų18674.8 Ų74.870%0.70240%0.403SS*.  trans-96.5155.3179.4-68.7-177.6178.5-177.3-0.7111.6P277 N283 V287 S451P277-R285 HydrophobicContact CG-CG 4.27Å; N283-R285 PolarHBondContact O-N 3.37Å; R285-V287 HydrophobicContact CB-CG1 4.33Å; R285-V287 PolarHBondContact O-N 2.93Å; R285-S451 PolarHBondContact O-OG 2.79Å
286S90.4Very high88.8Confident65 Ų6577.2 Ų77.246%0.45541%0.406SS..  trans-77.399173.4-171.30000110A450 R454S286-A450 WeakPolarHBondContact OG-CB 3.25Å; S286-R454 PolarHBondContact OG-NH1 3.06Å; S286-R454 PolarHBondContact OG-NH2 3.18Å
287V90.3Very high89.1Confident22 Ų2275.9 Ų75.913%0.13340%0.396CS..  trans-114.8171-175.4-69.30000112T276 R285 Q291 S292 S451 R454T276-V287 HydrophobicContact CG2-CG1 4.39Å; T276-V287 HydrophobicContact CG2-CG2 3.83Å; R285-V287 HydrophobicContact CB-CG1 4.33Å; R285-V287 PolarHBondContact O-N 2.93Å; V287-Q291 HydrophobicContact CB-CB 4.25Å; V287-S292 WeakPolarHBondContact CG2-OG 3.41Å; V287-S451 WeakPolarHBondContact CG2-OG 3.41Å; V287-S451 PolarHBondContact N-OG 3.14Å; V287-R454 WeakPolarHBondContact O-CD 3.35Å; V287-R454 PolarHBondContact O-NH1 3.17Å
288Q90.3Very high89.2Confident89 Ų8977 Ų7742%0.41640%0.402SS..  trans-77.7161.1176.7-72.2-63.8-17.500112.6E290 Q291 S292Q288-E290 VanDerWaalsContact C-N 3.33Å; Q288-E290 PolarHBondContact O-N 3.48Å; Q288-Q291 HydrophobicContact CB-CG 4.41Å; Q288-Q291 PolarHBondContact O-N 3.13Å; Q288-S292 WeakPolarHBondContact O-CB 3.35Å; Q288-S292 PolarHBondContact O-N 3.07Å; Q288-S292 PolarHBondContact O-OG 3.48Å
289R88.2Confident89.3Confident61 Ų6176 Ų7623%0.2340%0.397CS..Hα-helixtrans-53.6-48.4177.2168.7172.8163.1121.9-2.5112.3Q291 S292 L293 R454 V455 G458 T459R289-Q291 VanDerWaalsContact C-N 3.33Å; R289-Q291 PolarHBondContact O-N 3.28Å; R289-S292 WeakPolarHBondContact O-CB 3.35Å; R289-S292 PolarHBondContact O-N 3.18Å; R289-L293 HydrophobicContact CG-CD1 3.86Å; R289-L293 WeakPolarHBondContact O-CG 3.44Å; R289-L293 PolarHBondContact O-N 3.22Å; R289-R454 HydrophobicContact CB-CB 4.47Å; R289-V455 HydrophobicContact CB-CG2 4.49Å; R289-V455 HydrophobicContact CG-CG2 4.3Å; R289-V455 PolarHBondContact NH1-O 3.36Å; R289-G458 VanDerWaalsContact NH1-CA 3.34Å; R289-G458 PolarHBondContact NH1-O 3.47Å; R289-T459 PolarHBondContact NH1-OG1 3.42Å
290E87.5Confident89.5Confident81 Ų8175.8 Ų75.838%0.37939%0.394SS..Hα-helixtrans-70.6-32.6-174.5-159.159.8-153.100111.8Q288 L293 H294 H297 Y321Q288-E290 VanDerWaalsContact C-N 3.33Å; Q288-E290 PolarHBondContact O-N 3.48Å; E290-L293 PolarHBondContact O-N 3.07Å; E290-H294 VanDerWaalsContact O-CA 3.31Å; E290-H294 WeakPolarHBondContact O-CA 3.45Å; E290-H294 VanDerWaalsContact O-CB 3.31Å; E290-H294 WeakPolarHBondContact O-CB 3.22Å; E290-H294 PolarHBondContact O-N 2.74Å; E290-H297 IonicContact OE1-CE1 3.81Å; E290-H297 PolarHBondContact OE1-CE1 2.71Å; E290-H297 IonicContact OE1-CG 3.66Å; E290-H297 IonicContact OE1-ND1 3.2Å; E290-H297 PolarHBondContact OE1-ND1 2.81Å; E290-H297 IonicContact OE2-CE1 2.74Å; E290-H297 IonicContact OE2-ND1 2.77Å; E290-Y321 WeakPolarHBondContact OE1-CE2 3.3Å; E290-Y321 PolarHBondContact OE1-OH 3.37Å
291Q88.4Confident89.7Confident99 Ų9969.3 Ų69.346%0.46336%0.36SS..Hα-helixtrans-64.3-48170.4-69169-34.400110.9T276 V287 Q288 R289 L293 H294T276-Q291 PolarHBondContact OG1-O 2.84Å; V287-Q291 HydrophobicContact CB-CB 4.25Å; Q288-Q291 HydrophobicContact CB-CG 4.41Å; Q288-Q291 PolarHBondContact O-N 3.13Å; R289-Q291 VanDerWaalsContact C-N 3.33Å; R289-Q291 PolarHBondContact O-N 3.28Å; Q291-L293 PolarHBondContact O-N 2.9Å; Q291-H294 PolarHBondContact O-N 2.9Å
292S90.1Very high89.9Confident25 Ų2573.1 Ų73.118%0.17537%0.371CS..Hα-helixtrans-58.4-30.3177.6-510000113.5V287 Q288 R289V287-S292 WeakPolarHBondContact CG2-OG 3.41Å; Q288-S292 WeakPolarHBondContact O-CB 3.35Å; Q288-S292 PolarHBondContact O-N 3.07Å; Q288-S292 PolarHBondContact O-OG 3.48Å; R289-S292 WeakPolarHBondContact O-CB 3.35Å; R289-S292 PolarHBondContact O-N 3.18Å
293L90.3Very high90.3Very high32 Ų3268.9 Ų68.917%0.16834%0.338CS..Hα-helixtrans-103.9-4.8-178.1-63.2177.3000113.6R289 E290 Q291 S295 F296 H297 V455R289-L293 HydrophobicContact CG-CD1 3.86Å; R289-L293 WeakPolarHBondContact O-CG 3.44Å; R289-L293 PolarHBondContact O-N 3.22Å; E290-L293 PolarHBondContact O-N 3.07Å; Q291-L293 PolarHBondContact O-N 2.9Å; L293-S295 PolarHBondContact O-N 2.92Å; L293-F296 CarbonylContact O-C 3.59Å; L293-F296 WeakPolarHBondContact O-CA 3.22Å; L293-F296 WeakPolarHBondContact O-CB 3.29Å; L293-F296 PolarHBondContact O-N 3.11Å; L293-H297 PolarHBondContact O-N 2.75Å; L293-V455 HydrophobicContact CD1-CG1 4.31Å; L293-V455 HydrophobicContact CD2-CG1 4.18Å; L293-V455 HydrophobicContact CD2-CG2 4.39Å; L293-V455 HydrophobicContact CG-CG1 4.47Å; L293-V455 HydrophobicContact CG-CG2 4.16Å
294H89.7Confident90.6Very high103 Ų10365.1 Ų65.148%0.47732%0.32SS..Hα-helixtrans-55.4-55.1-167.2-177.975000112.4E290 Q291 F296 H297 T298E290-H294 VanDerWaalsContact O-CA 3.31Å; E290-H294 WeakPolarHBondContact O-CA 3.45Å; E290-H294 VanDerWaalsContact O-CB 3.31Å; E290-H294 WeakPolarHBondContact O-CB 3.22Å; E290-H294 PolarHBondContact O-N 2.74Å; Q291-H294 PolarHBondContact O-N 2.9Å; H294-F296 PolarHBondContact O-N 2.87Å; H294-H297 PolarHBondContact O-N 3.1Å; H294-H297 VanDerWaalsContact O-N 3.08Å; H294-T298 PolarHBondContact CE1-OG1 3.23Å; H294-T298 PolarHBondContact NE2-OG1 3.2Å; H294-T298 WeakPolarHBondContact O-CB 3.21Å; H294-T298 PolarHBondContact O-N 2.93Å; H294-T298 PolarHBondContact O-OG1 3.48Å; H294-T298 VanDerWaalsContact O-OG1 3.1Å
295S89.8Confident90.9Very high74 Ų7470 Ų7052%0.51734%0.337SS..Hα-helixtrans-58.5-35.5179.2-450000112.2L293 L299L293-S295 PolarHBondContact O-N 2.92Å; S295-L299 VanDerWaalsContact O-CB 3.28Å; S295-L299 WeakPolarHBondContact O-CB 3.23Å; S295-L299 WeakPolarHBondContact O-CG 3.44Å; S295-L299 PolarHBondContact O-N 2.83Å; S295-L299 VanDerWaalsContact O-N 3.14Å
296F91.6Very high91.2Very high114 Ų11465.8 Ų65.850%0.532%0.324SS..Hα-helixtrans-73.5-36.6176.9-60.8-74.2000112.7L293 H294 F300 Y307L293-F296 CarbonylContact O-C 3.59Å; L293-F296 WeakPolarHBondContact O-CA 3.22Å; L293-F296 WeakPolarHBondContact O-CB 3.29Å; L293-F296 PolarHBondContact O-N 3.11Å; H294-F296 PolarHBondContact O-N 2.87Å; F296-F300 WeakPolarHBondContact O-CB 3.06Å; F296-F300 PolarHBondContact O-N 3.39Å; F296-Y307 HydrophobicContact CB-CE1 4.36Å; F296-Y307 AromaticContact CD1-CE1 3.84Å; F296-Y307 HydrophobicContact CD1-CE1 3.84Å; F296-Y307 AromaticContact CD1-CZ 3.87Å
297H89.9Confident91.4Very high24 Ų2468.7 Ų68.711%0.11133%0.326CS..Hα-helixtrans-73-42.4177.4-71.9173000112.3E290 L293 H294 Y321E290-H297 IonicContact OE1-CE1 3.81Å; E290-H297 PolarHBondContact OE1-CE1 2.71Å; E290-H297 IonicContact OE1-CG 3.66Å; E290-H297 IonicContact OE1-ND1 3.2Å; E290-H297 PolarHBondContact OE1-ND1 2.81Å; E290-H297 IonicContact OE2-CE1 2.74Å; E290-H297 IonicContact OE2-ND1 2.77Å; L293-H297 PolarHBondContact O-N 2.75Å; H294-H297 PolarHBondContact O-N 3.1Å; H294-H297 VanDerWaalsContact O-N 3.08Å; H297-Y321 HydrophobicContact CB-CD1 3.88Å; H297-Y321 HydrophobicContact CB-CD2 4.48Å; H297-Y321 HydrophobicContact CB-CE1 3.77Å; H297-Y321 HydrophobicContact CB-CE2 4.4Å; H297-Y321 HydrophobicContact CB-CG 4.24Å; H297-Y321 AromaticContact CD2-CD2 3.9Å; H297-Y321 AromaticContact CD2-CG 3.82Å; H297-Y321 AromaticContact CE1-CD2 3.47Å; H297-Y321 VanDerWaalsContact CE1-CD2 3.47Å; H297-Y321 WeakPolarHBondContact CE1-CD2 3.4Å; H297-Y321 AromaticContact CE1-CE2 3.67Å; H297-Y321 AromaticContact CG-CD1 3.98Å; H297-Y321 AromaticContact CG-CD2 3.76Å; H297-Y321 AromaticContact CG-CE2 3.89Å; H297-Y321 AromaticContact CG-CG 3.81Å; H297-Y321 AromaticContact ND1-CD2 3.48Å; H297-Y321 WeakPolarHBondContact ND1-CD2 3.17Å; H297-Y321 AromaticContact ND1-CE2 3.34Å; H297-Y321 VanDerWaalsContact ND1-CE2 3.34Å; H297-Y321 WeakPolarHBondContact ND1-CE2 3.48Å; H297-Y321 AromaticContact ND1-CZ 3.76Å; H297-Y321 AromaticContact NE2-CD2 3.73Å
298T88.1Confident91.5Very high43 Ų4373.3 Ų73.326%0.26435%0.349SS..Hα-helixtrans-75.3-45.2-175.7-56.90000112.2H294 H315H294-T298 PolarHBondContact CE1-OG1 3.23Å; H294-T298 PolarHBondContact NE2-OG1 3.2Å; H294-T298 WeakPolarHBondContact O-CB 3.21Å; H294-T298 PolarHBondContact O-N 2.93Å; H294-T298 PolarHBondContact O-OG1 3.48Å; H294-T298 VanDerWaalsContact O-OG1 3.1Å; T298-H315 PolarHBondContact O-ND1 3.5Å
299L91.4Very high91.7Very high78 Ų7869.8 Ų69.841%0.40834%0.335SS..Hα-helixtrans-86.3-16.3-173.9-59.8174.4000114S295 C301 Y307 D308S295-L299 VanDerWaalsContact O-CB 3.28Å; S295-L299 WeakPolarHBondContact O-CB 3.23Å; S295-L299 WeakPolarHBondContact O-CG 3.44Å; S295-L299 PolarHBondContact O-N 2.83Å; S295-L299 VanDerWaalsContact O-N 3.14Å; L299-C301 PolarHBondContact O-N 2.95Å; L299-Y307 HydrophobicContact CB-CD1 4.19Å; L299-Y307 CarbonylContact O-C 3.58Å; L299-Y307 VanDerWaalsContact O-CA 3.31Å; L299-Y307 WeakPolarHBondContact O-CA 3.16Å; L299-D308 PolarHBondContact O-N 2.89Å
300F94.4Very high91.9Very high61 Ų6172.9 Ų72.927%0.26835%0.35SS..EExtended strand (participates in β ladder)trans-81.3112.6-174.5-174.1-106.9000113.5F296 R302 F305 Y307F296-F300 WeakPolarHBondContact O-CB 3.06Å; F296-F300 PolarHBondContact O-N 3.39Å; F300-R302 PolarHBondContact O-N 3.1Å; F300-F305 HydrophobicContact CE2-CB 4.46Å; F300-F305 HydrophobicContact CZ-CB 4.12Å; F300-F305 HydrophobicContact CZ-CD1 4.08Å; F300-Y307 HydrophobicContact CB-CD1 3.87Å; F300-Y307 HydrophobicContact CB-CE1 3.64Å; F300-Y307 HydrophobicContact CD2-CD1 4.08Å; F300-Y307 AromaticContact CD2-CE1 3.72Å; F300-Y307 HydrophobicContact CD2-CE1 3.72Å; F300-Y307 HydrophobicContact CD2-CE2 4.18Å; F300-Y307 HydrophobicContact CD2-CG 4.44Å; F300-Y307 AromaticContact CD2-CZ 3.75Å; F300-Y307 HydrophobicContact CG-CD1 4.49Å; F300-Y307 HydrophobicContact CG-CE1 4.1Å
301C94.8Very high92.2Very high16 Ų1670.3 Ų70.311%0.10834%0.339CS..EExtended strand (participates in β ladder)trans-78.3104.3172-177.90000111.9L299 R303 C304 F305 K306 C309 H312L299-C301 PolarHBondContact O-N 2.95Å; C301-R303 PolarHBondContact O-N 3.42Å; C301-R303 VanDerWaalsContact O-N 3.09Å; C301-R303 PolarHBondContact SG-N 3.27Å; C301-R303 VanDerWaalsContact SG-N 3.43Å; C301-C304 PolarHBondContact O-N 2.94Å; C301-F305 WeakPolarHBondContact O-CA 3.47Å; C301-F305 PolarHBondContact O-N 3.23Å; C301-K306 PolarHBondContact N-O 3.39Å; C301-C309 HydrophobicContact CB-CB 3.93Å; C301-C309 WeakPolarHBondContact CB-SG 3.33Å; C301-C309 PolarHBondContact SG-SG 3.08Å; C301-H312 PolarHBondContact SG-ND1 3.27Å
302R93Very high92.5Very high91 Ų9166.7 Ų66.734%0.34332%0.322SS..THydrogen-bonded Turntrans-59-17.6173.5177.456.4-172.289-5.2114.3F300 F305 T320F300-R302 PolarHBondContact O-N 3.1Å; R302-F305 VanDerWaalsContact NH1-CE1 3.32Å; R302-T320 HydrophobicContact CB-CG2 3.87Å; R302-T320 HydrophobicContact CG-CG2 3.8Å
303R94.1Very high92.5Very high44 Ų4468.7 Ų68.717%0.16633%0.334CS..THydrogen-bonded Turntrans-77.5-44.5179.5-64.5165.667.9140-1112.5C301 H312 Y533 F559 G717 D718C301-R303 PolarHBondContact O-N 3.42Å; C301-R303 VanDerWaalsContact O-N 3.09Å; C301-R303 PolarHBondContact SG-N 3.27Å; C301-R303 VanDerWaalsContact SG-N 3.43Å; R303-H312 PolarHBondContact NE-CD2 2.9Å; R303-H312 VanDerWaalsContact NE-CD2 3.28Å; R303-H312 PolarHBondContact NE-NE2 3.48Å; R303-H312 VanDerWaalsContact NE-NE2 3.18Å; R303-Y533 PolarHBondContact NH1-O 3.35Å; R303-F559 HydrophobicContact CB-CE1 4.25Å; R303-F559 HydrophobicContact CB-CZ 4.46Å; R303-F559 HydrophobicContact CG-CD1 4.02Å; R303-F559 HydrophobicContact CG-CD2 4.4Å; R303-F559 HydrophobicContact CG-CE1 4.19Å; R303-F559 HydrophobicContact CG-CG 4.12Å; R303-F559 HydrophobicContact CG-CZ 4.44Å; R303-G717 VanDerWaalsContact NH2-C 3.33Å; R303-G717 PolarHBondContact NH2-O 3.42Å; R303-D718 IonicContact CZ-OD1 3.6Å; R303-D718 IonicContact NE-OD1 3.92Å; R303-D718 IonicContact NH2-OD1 3.7Å; R303-D718 PolarHBondContact NH2-OD1 3.45Å
304C94.5Very high92.4Very high36 Ų3674 Ų7424%0.24336%0.356CS..THydrogen-bonded Turntrans-116-0.4-17569.10000115.2C301 C309C301-C304 PolarHBondContact O-N 2.94Å; C304-C309 WeakPolarHBondContact SG-CB 3.28Å; C304-C309 VanDerWaalsContact SG-SG 3.65Å
305F95Very high92.2Very high126 Ų12675.1 Ų75.155%0.55336%0.361SS*.THydrogen-bonded Turntrans61.838.5177.4-45.9-81.2000114.7F300 C301 R302F300-F305 HydrophobicContact CE2-CB 4.46Å; F300-F305 HydrophobicContact CZ-CB 4.12Å; F300-F305 HydrophobicContact CZ-CD1 4.08Å; C301-F305 WeakPolarHBondContact O-CA 3.47Å; C301-F305 PolarHBondContact O-N 3.23Å; R302-F305 VanDerWaalsContact NH1-CE1 3.32Å
306K93.8Very high91.8Very high98 Ų9873 Ų7343%0.42635%0.348SS..EExtended strand (participates in β ladder)trans-124.1150.7175.1-59.9174.9-172.4171.50109.8C301 C309C301-K306 PolarHBondContact N-O 3.39Å; K306-C309 HydrophobicContact CB-CB 4.15Å
307Y94.7Very high91.2Very high126 Ų12669.4 Ų69.449%0.49434%0.336SS..EExtended strand (participates in β ladder)trans-76.5145.1159.6-59-80.3000108.9F296 L299 F300F296-Y307 HydrophobicContact CB-CE1 4.36Å; F296-Y307 AromaticContact CD1-CE1 3.84Å; F296-Y307 HydrophobicContact CD1-CE1 3.84Å; F296-Y307 AromaticContact CD1-CZ 3.87Å; L299-Y307 HydrophobicContact CB-CD1 4.19Å; L299-Y307 CarbonylContact O-C 3.58Å; L299-Y307 VanDerWaalsContact O-CA 3.31Å; L299-Y307 WeakPolarHBondContact O-CA 3.16Å; F300-Y307 HydrophobicContact CB-CD1 3.87Å; F300-Y307 HydrophobicContact CB-CE1 3.64Å; F300-Y307 HydrophobicContact CD2-CD1 4.08Å; F300-Y307 AromaticContact CD2-CE1 3.72Å; F300-Y307 HydrophobicContact CD2-CE1 3.72Å; F300-Y307 HydrophobicContact CD2-CE2 4.18Å; F300-Y307 HydrophobicContact CD2-CG 4.44Å; F300-Y307 AromaticContact CD2-CZ 3.75Å; F300-Y307 HydrophobicContact CG-CD1 4.49Å; F300-Y307 HydrophobicContact CG-CE1 4.1Å
308D91.9Very high90.9Very high118 Ų11871.9 Ų71.963%0.63135%0.354SS*.SBendtrans43.773.7176.1-171.730.7000113.7L299L299-D308 PolarHBondContact O-N 2.89Å
309C94.3Very high90.7Very high16 Ų1671.7 Ų71.711%0.10835%0.352CS..  trans-96.1127.9-16580.40000113.5C301 C304 K306 L311 H312C301-C309 HydrophobicContact CB-CB 3.93Å; C301-C309 WeakPolarHBondContact CB-SG 3.33Å; C301-C309 PolarHBondContact SG-SG 3.08Å; C304-C309 WeakPolarHBondContact SG-CB 3.28Å; C304-C309 VanDerWaalsContact SG-SG 3.65Å; K306-C309 HydrophobicContact CB-CB 4.15Å; C309-L311 PolarHBondContact O-N 3.05Å; C309-H312 PolarHBondContact O-N 3.48Å
310F93.4Very high90.3Very high126 Ų12669.5 Ų69.555%0.55334%0.342SS*.THydrogen-bonded Turntrans-64.631.8177.4-42-61.3000116F121 M122F121-F310 CarbonylContact C-O 3.42Å; F121-F310 WeakPolarHBondContact CA-O 3.41Å; F121-F310 HydrophobicContact CD2-CB 3.68Å; F121-F310 HydrophobicContact CD2-CD2 4.4Å; F121-F310 HydrophobicContact CD2-CG 4.01Å; F121-F310 HydrophobicContact CE2-CB 3.59Å; F121-F310 AromaticContact CE2-CD1 3.69Å; F121-F310 HydrophobicContact CE2-CD1 3.69Å; F121-F310 AromaticContact CE2-CD2 3.95Å; F121-F310 HydrophobicContact CE2-CD2 3.95Å; F121-F310 HydrophobicContact CE2-CE1 4.34Å; F121-F310 AromaticContact CE2-CG 3.47Å; F121-F310 HydrophobicContact CE2-CG 3.47Å; F121-F310 VanDerWaalsContact CE2-CG 3.47Å; F121-F310 HydrophobicContact CG-CB 4.25Å; F121-F310 HydrophobicContact CZ-CB 4.09Å; F121-F310 AromaticContact CZ-CD1 3.79Å; F121-F310 HydrophobicContact CZ-CD1 3.79Å; F121-F310 HydrophobicContact CZ-CE1 4.44Å; F121-F310 HydrophobicContact CZ-CG 4.01Å; M122-F310 PolarHBondContact N-O 2.92Å
311L93.4Very high89.8Confident27 Ų2770.3 Ų70.314%0.14134%0.343CS..THydrogen-bonded Turntrans-147.8-24.7-176.4-168.961.6000114.3N120 C309 I658N120-L311 HydrophobicContact CB-CD1 4.17Å; C309-L311 PolarHBondContact O-N 3.05Å; L311-I658 HydrophobicContact CD1-CD1 3.59Å
312H93.9Very high89.2Confident23 Ų2374.7 Ų74.711%0.10636%0.36CS..  trans-129.997.2-174-53.2127000109.7C301 R303 C309 F314 D718C301-H312 PolarHBondContact SG-ND1 3.27Å; R303-H312 PolarHBondContact NE-CD2 2.9Å; R303-H312 VanDerWaalsContact NE-CD2 3.28Å; R303-H312 PolarHBondContact NE-NE2 3.48Å; R303-H312 VanDerWaalsContact NE-NE2 3.18Å; C309-H312 PolarHBondContact O-N 3.48Å; H312-F314 VanDerWaalsContact C-N 3.29Å; H312-F314 PolarHBondContact O-N 2.91Å; H312-D718 IonicContact CD2-OD1 3.09Å; H312-D718 IonicContact CE1-OD1 3.9Å; H312-D718 IonicContact CE1-OD2 2.71Å; H312-D718 IonicContact NE2-OD1 2.73Å; H312-D718 PolarHBondContact NE2-OD1 2.93Å; H312-D718 IonicContact NE2-OD2 3.66Å
313P89.6Confident88.3Confident67 Ų6780.8 Ų80.844%0.43538%0.383SS..  trans-74.3-16.8-172.828.4-34.9000113.8M122M122-P313 HydrophobicContact CE-CG 4.39Å; M122-P313 HydrophobicContact CG-CG 4.47Å
314F89.1Confident86.8Confident143 Ų14386.6 Ų86.663%0.62741%0.41SS*.SBendtrans-90122.9178.5-61-79.3000111.3H312 Q534H312-F314 VanDerWaalsContact C-N 3.29Å; H312-F314 PolarHBondContact O-N 2.91Å; F314-Q534 VanDerWaalsContact CE2-NE2 3.3Å
315H85.5Confident85.2Confident126 Ų12689.1 Ų89.158%0.58342%0.421SS*.PPolyproline II helixtrans-55.7158.3173.7-65.7-77.7000113.2T298T298-H315 PolarHBondContact O-ND1 3.5Å
316A80.8Confident83.1Confident30 Ų3090.3 Ų90.325%0.24843%0.432CS..PPolyproline II helixtrans-64.9134.9178.200000111.6T320A316-T320 HydrophobicContact CB-CG2 4.43Å
317T80.8Confident81.1Confident39 Ų3992.3 Ų92.324%0.23944%0.443CS..PPolyproline II helixtrans-65147.3179.273.90000110.9N319 T320 D537T317-N319 PolarHBondContact O-N 3.04Å; T317-T320 VanDerWaalsContact O-CB 3.23Å; T317-T320 WeakPolarHBondContact O-CB 3.35Å; T317-T320 PolarHBondContact O-N 3.36Å; T317-T320 PolarHBondContact O-OG1 3.1Å; T317-T320 PolarHBondContact OG1-OG1 2.87Å; T317-D537 WeakPolarHBondContact CB-OD2 3.35Å; T317-D537 HydrophobicContact CG2-CB 3.97Å; T317-D537 PolarHBondContact OG1-OD2 3.48Å
318P81.6Confident79.2Confident76 Ų7692.2 Ų92.249%0.49445%0.451SS..THydrogen-bonded Turntrans-59.2-16.6-175.2-29.336.8000116.4K322P318-K322 VanDerWaalsContact O-CE 3.23Å; P318-K322 WeakPolarHBondContact O-CE 3.26Å; P318-K322 WeakPolarHBondContact O-CG 3.49Å
319N84.3Confident77.4Confident39 Ų3992.4 Ų92.421%0.20945%0.451CS..THydrogen-bonded Turntrans-91.5-11.4174.2-52.4-49.8000113T317 Y321 K322 D537 P539 Q561T317-N319 PolarHBondContact O-N 3.04Å; N319-Y321 PolarHBondContact O-N 3.16Å; N319-K322 PolarHBondContact O-N 3.08Å; N319-K322 PolarHBondContact OD1-NZ 3.3Å; N319-D537 WeakPolarHBondContact CB-OD2 3.25Å; N319-D537 VanDerWaalsContact ND2-CG 3.32Å; N319-D537 PolarHBondContact ND2-OD1 3.19Å; N319-D537 PolarHBondContact ND2-OD2 2.99Å; N319-P539 WeakPolarHBondContact ND2-CG 3.4Å; N319-Q561 HydrophobicContact CB-CG 4.35Å
320T84.4Confident75.8Confident32 Ų3295.1 Ų95.120%0.19647%0.467CS..THydrogen-bonded Turntrans-68.6-30.8-178-65.80000113.5R302 A316 T317 Q561R302-T320 HydrophobicContact CB-CG2 3.87Å; R302-T320 HydrophobicContact CG-CG2 3.8Å; A316-T320 HydrophobicContact CB-CG2 4.43Å; T317-T320 VanDerWaalsContact O-CB 3.23Å; T317-T320 WeakPolarHBondContact O-CB 3.35Å; T317-T320 PolarHBondContact O-N 3.36Å; T317-T320 PolarHBondContact O-OG1 3.1Å; T317-T320 PolarHBondContact OG1-OG1 2.87Å; T320-Q561 PolarHBondContact OG1-NE2 2.88Å
321Y82.7Confident74.1Confident78 Ų7892.9 Ų92.931%0.30646%0.461SS..THydrogen-bonded Turntrans-93.7-3.8173.453-101.1000113.7E290 H297 N319 R323E290-Y321 WeakPolarHBondContact OE1-CE2 3.3Å; E290-Y321 PolarHBondContact OE1-OH 3.37Å; H297-Y321 HydrophobicContact CB-CD1 3.88Å; H297-Y321 HydrophobicContact CB-CD2 4.48Å; H297-Y321 HydrophobicContact CB-CE1 3.77Å; H297-Y321 HydrophobicContact CB-CE2 4.4Å; H297-Y321 HydrophobicContact CB-CG 4.24Å; H297-Y321 AromaticContact CD2-CD2 3.9Å; H297-Y321 AromaticContact CD2-CG 3.82Å; H297-Y321 AromaticContact CE1-CD2 3.47Å; H297-Y321 VanDerWaalsContact CE1-CD2 3.47Å; H297-Y321 WeakPolarHBondContact CE1-CD2 3.4Å; H297-Y321 AromaticContact CE1-CE2 3.67Å; H297-Y321 AromaticContact CG-CD1 3.98Å; H297-Y321 AromaticContact CG-CD2 3.76Å; H297-Y321 AromaticContact CG-CE2 3.89Å; H297-Y321 AromaticContact CG-CG 3.81Å; H297-Y321 AromaticContact ND1-CD2 3.48Å; H297-Y321 WeakPolarHBondContact ND1-CD2 3.17Å; H297-Y321 AromaticContact ND1-CE2 3.34Å; H297-Y321 VanDerWaalsContact ND1-CE2 3.34Å; H297-Y321 WeakPolarHBondContact ND1-CE2 3.48Å; H297-Y321 AromaticContact ND1-CZ 3.76Å; H297-Y321 AromaticContact NE2-CD2 3.73Å; N319-Y321 PolarHBondContact O-N 3.16Å; Y321-R323 PolarHBondContact O-N 3.32Å
322K82.2Confident72.6Confident107 Ų10797.5 Ų97.547%0.46549%0.491SS..  trans-82.5112.4173.4-64.8179-168.9165.70110.2P318 N319P318-K322 VanDerWaalsContact O-CE 3.23Å; P318-K322 WeakPolarHBondContact O-CE 3.26Å; P318-K322 WeakPolarHBondContact O-CG 3.49Å; N319-K322 PolarHBondContact O-N 3.08Å; N319-K322 PolarHBondContact OD1-NZ 3.3Å
323R74Confident71.4Confident219 Ų219104.2 Ų104.283%0.82652%0.52SS*.PPolyproline II helixtrans-85.9134.4173.1-174172.8175.3171.4-3.7110Y321Y321-R323 PolarHBondContact O-N 3.32Å
324K63.3Low70.8Confident167 Ų167103.7 Ų103.773%0.72652%0.516SS*.PPolyproline II helixtrans-64.5138170.8-67.7-160.2171.7-150.80111
325N61.2Low70.3Confident89 Ų89100.4 Ų100.448%0.47651%0.51SS..PPolyproline II helixtrans-52.8138161.9-54.6-45.4000108.5Y461N325-Y461 PolarHBondContact OD1-OH 3.15Å; N325-Y461 VanDerWaalsContact OD1-OH 3.08Å
326L51.5Low70Confident151 Ų15196.2 Ų96.279%0.79150%0.501SS*.  trans-149.2-32.6174.3-147.376.8000112.8
327E51.3Low69.7Low139 Ų13998.7 Ų98.765%0.6552%0.522SS*.  trans-138.695.1-174.4-70.3172.4174.500109.7L329E327-L329 HydrophobicContact CB-CD1 4.05Å; E327-L329 HydrophobicContact CB-CG 4.17Å; E327-L329 PolarHBondContact O-N 3.21Å
328N53.6Low69.6Low124 Ų124101.4 Ų101.466%0.66353%0.532SS*.  trans-72.372.7162.7-88.61.4000108.8V330N328-V330 PolarHBondContact O-N 2.87Å
329L54.7Low69.7Low122 Ų12297.9 Ų97.964%0.63951%0.509SS*.  trans-71.370.7170.4-79.6158.4000109.4E327 N463E327-L329 HydrophobicContact CB-CD1 4.05Å; E327-L329 HydrophobicContact CB-CG 4.17Å; E327-L329 PolarHBondContact O-N 3.21Å; L329-N463 PolarHBondContact O-ND2 2.79Å
330V59.8Low69.5Low73 Ų7397.2 Ų97.244%0.44250%0.504SS..  trans-74.2121168.4-178.10000107.3N328 T332N328-V330 PolarHBondContact O-N 2.87Å; V330-T332 PolarHBondContact O-N 3.02Å
331N58.4Low69.2Low79 Ų7997.6 Ų97.642%0.42250%0.504SS..  trans-67116.9177.9-75.8-50.4000109.7K333 N463N331-K333 PolarHBondContact O-N 2.93Å; N331-N463 PolarHBondContact ND2-ND2 2.74Å; N331-N463 PolarHBondContact ND2-OD1 2.8Å
332T61.8Low68.8Low125 Ų12598.9 Ų98.977%0.76751%0.509SS*.SBendtrans-82.68.1-178.852.30000114V330V330-T332 PolarHBondContact O-N 3.02Å
333K69.9Low68.1Low164 Ų16496.3 Ų96.371%0.71350%0.5SS*.SBendtrans-126.7139.7177.8-66-173.8177.1-174.60109.8N331 M341N331-K333 PolarHBondContact O-N 2.93Å; K333-M341 VanDerWaalsContact C-SD 3.58Å
334P75.5Confident67.6Low56 Ų5689.7 Ų89.736%0.36448%0.483SS..  trans-63.3141.5177.127-34.3000110.8G336 C339 M341 Y342P334-G336 VanDerWaalsContact C-N 3.33Å; P334-G336 PolarHBondContact O-N 3.42Å; P334-C339 HydrophobicContact CB-CB 3.87Å; P334-M341 HydrophobicContact CB-SD 4.47Å; P334-Y342 HydrophobicContact CB-CE2 3.98Å; P334-Y342 WeakPolarHBondContact CG-OH 3.38Å
335C79.3Confident67.3Low74 Ų7488.7 Ų88.750%0.548%0.481SS..  trans-85.7-0.6-174.765.40000114.8C339 C465 C476C335-C339 PolarHBondContact N-SG 2.79Å; C335-C339 VanDerWaalsContact N-SG 3.44Å; C335-C339 VanDerWaalsContact SG-SG 3.6Å; C335-C465 HydrophobicContact CB-CB 4.01Å; C335-C476 WeakPolarHBondContact SG-CB 3.38Å
336G79.7Confident66.6Low38 Ų3891.1 Ų91.139%0.39249%0.494SS..SBendtrans156.9-175.7-172.700000110.3P334 C339 Y342P334-G336 VanDerWaalsContact C-N 3.33Å; P334-G336 PolarHBondContact O-N 3.42Å; G336-C339 VanDerWaalsContact O-CB 3.29Å; G336-C339 WeakPolarHBondContact O-CB 3.05Å; G336-Y342 WeakPolarHBondContact O-CE2 3.38Å
337A74.6Confident66.2Low82 Ų8286.5 Ų86.568%0.67848%0.483SS*.THydrogen-bonded Turntrans-62.2-51179.200000112.5C339 Y342A337-C339 PolarHBondContact O-N 3.46Å; A337-Y342 VanDerWaalsContact O-CD2 3.27Å; A337-Y342 WeakPolarHBondContact O-CD2 3.18Å; A337-Y342 WeakPolarHBondContact O-CE2 3.34Å
338E77.4Confident65.8Low95 Ų9588.3 Ų88.344%0.44449%0.494SS..THydrogen-bonded Turntrans-80.651.8176.3-64.2-53.5130.200112.8R477E338-R477 HydrophobicContact CB-CB 4.41Å; E338-R477 PolarHBondContact O-N 2.87Å; E338-R477 VanDerWaalsContact O-N 3.11Å; E338-R477 WeakPolarHBondContact OE2-CD 3.42Å; E338-R477 IonicContact OE2-CZ 2.84Å; E338-R477 IonicContact OE2-NE 2.71Å; E338-R477 IonicContact OE2-NH1 3.68Å; E338-R477 PolarHBondContact OE2-NH1 3.47Å
339C83.8Confident65.1Low3 Ų386.1 Ų86.12%0.0249%0.485CS..  trans-94.1132.8174.5-169.20000111.4P334 C335 G336 A337 M341 Y342P334-C339 HydrophobicContact CB-CB 3.87Å; C335-C339 PolarHBondContact N-SG 2.79Å; C335-C339 VanDerWaalsContact N-SG 3.44Å; C335-C339 VanDerWaalsContact SG-SG 3.6Å; G336-C339 VanDerWaalsContact O-CB 3.29Å; G336-C339 WeakPolarHBondContact O-CB 3.05Å; A337-C339 PolarHBondContact O-N 3.46Å; C339-M341 PolarHBondContact O-N 3.14Å; C339-Y342 HydrophobicContact CB-CD2 4.16Å; C339-Y342 HydrophobicContact CB-CE2 4.21Å; C339-Y342 PolarHBondContact O-N 2.72Å
340Y81.3Confident64.1Low25 Ų2591 Ų9110%0.09850%0.495CS..Hα-helixtrans-55-24.917784.2-68.3000114.1Y342 L343 V344 F464 C476 Y480Y340-Y342 PolarHBondContact O-N 3.49Å; Y340-L343 WeakPolarHBondContact O-CB 3.09Å; Y340-L343 PolarHBondContact O-N 3.23Å; Y340-L343 VanDerWaalsContact O-N 3.14Å; Y340-V344 HydrophobicContact CD2-CG2 4.18Å; Y340-V344 PolarHBondContact O-N 3.02Å; Y340-F464 HydrophobicContact CD1-CB 4.4Å; Y340-F464 AromaticContact CD2-CD2 3.9Å; Y340-F464 HydrophobicContact CD2-CD2 3.9Å; Y340-F464 HydrophobicContact CE1-CD2 4.35Å; Y340-F464 AromaticContact CE2-CD2 3.7Å; Y340-F464 HydrophobicContact CE2-CD2 3.7Å; Y340-F464 HydrophobicContact CE2-CE2 4.18Å; Y340-F464 HydrophobicContact CG-CD2 4.29Å; Y340-F464 AromaticContact CZ-CD2 3.94Å; Y340-C476 VanDerWaalsContact CD1-SG 3.52Å; Y340-Y480 AromaticContact CD2-CD2 3.56Å; Y340-Y480 HydrophobicContact CD2-CD2 3.56Å; Y340-Y480 AromaticContact CD2-CE2 3.96Å; Y340-Y480 HydrophobicContact CD2-CE2 3.96Å; Y340-Y480 AromaticContact CD2-CG 3.97Å; Y340-Y480 HydrophobicContact CD2-CG 3.97Å; Y340-Y480 HydrophobicContact CE2-CD2 4.33Å; Y340-Y480 HydrophobicContact CG-CD2 4.23Å; Y340-Y480 HydrophobicContact CG-CG 4.23Å
341M76.4Confident62.7Low39 Ų3996.8 Ų96.819%0.19252%0.517CS..Hα-helixtrans-59.1-33.6-179.9-65.4-176.374.400112.6K333 P334 C339 V344 Q345K333-M341 VanDerWaalsContact C-SD 3.58Å; P334-M341 HydrophobicContact CB-SD 4.47Å; C339-M341 PolarHBondContact O-N 3.14Å; M341-V344 PolarHBondContact O-N 3.47Å; M341-Q345 WeakPolarHBondContact O-CG 3.47Å; M341-Q345 PolarHBondContact O-N 2.76Å
342Y75.7Confident61.5Low106 Ų106102.5 Ų102.542%0.41653%0.534SS..Hα-helixtrans-67.7-40.1177.1-62.3-59.5000112P334 G336 A337 C339 Y340 V344 Q345 D346P334-Y342 HydrophobicContact CB-CE2 3.98Å; P334-Y342 WeakPolarHBondContact CG-OH 3.38Å; G336-Y342 WeakPolarHBondContact O-CE2 3.38Å; A337-Y342 VanDerWaalsContact O-CD2 3.27Å; A337-Y342 WeakPolarHBondContact O-CD2 3.18Å; A337-Y342 WeakPolarHBondContact O-CE2 3.34Å; C339-Y342 HydrophobicContact CB-CD2 4.16Å; C339-Y342 HydrophobicContact CB-CE2 4.21Å; C339-Y342 PolarHBondContact O-N 2.72Å; Y340-Y342 PolarHBondContact O-N 3.49Å; Y342-V344 PolarHBondContact O-N 3.09Å; Y342-Q345 PolarHBondContact O-N 3.2Å; Y342-Q345 VanDerWaalsContact O-N 3.13Å; Y342-D346 PolarHBondContact O-N 3.47Å
343L67.4Low60.2Low53 Ų5399.6 Ų99.628%0.27752%0.517SS..Hα-helixtrans-62.5-30.1174-61.1180000112.9Y340 R477Y340-L343 WeakPolarHBondContact O-CB 3.09Å; Y340-L343 PolarHBondContact O-N 3.23Å; Y340-L343 VanDerWaalsContact O-N 3.14Å; L343-R477 HydrophobicContact CD1-CG 3.87Å
344V64Low58.6Low79 Ų7996.3 Ų96.348%0.47952%0.521SS..Hα-helixtrans-79-32.3175.91790000111.4Y340 M341 Y342Y340-V344 HydrophobicContact CD2-CG2 4.18Å; Y340-V344 PolarHBondContact O-N 3.02Å; M341-V344 PolarHBondContact O-N 3.47Å; Y342-V344 PolarHBondContact O-N 3.09Å
345Q56Low56.6Low146 Ų14696.4 Ų96.468%0.68253%0.532SS*.Hα-helixtrans-78.1-34.6177.7-72.9-175.3-70.900113.8M341 Y342 G347M341-Q345 WeakPolarHBondContact O-CG 3.47Å; M341-Q345 PolarHBondContact O-N 2.76Å; Y342-Q345 PolarHBondContact O-N 3.2Å; Y342-Q345 VanDerWaalsContact O-N 3.13Å; Q345-G347 PolarHBondContact O-N 3.08Å; Q345-G347 VanDerWaalsContact O-N 3.16Å
346D46.8Very low54.4Low140 Ų14096.3 Ų96.375%0.74954%0.536SS*.THydrogen-bonded Turntrans-73.92179.2-87.2-17.4000114.2Y342 M348Y342-D346 PolarHBondContact O-N 3.47Å; D346-M348 PolarHBondContact O-N 2.85Å
347G43.9Very low52.1Low55 Ų55100 Ų10057%0.56754%0.543SS*.  trans67.37.1170.300000115.9Q345 V349Q345-G347 PolarHBondContact O-N 3.08Å; Q345-G347 VanDerWaalsContact O-N 3.16Å; G347-V349 PolarHBondContact O-N 3.39Å
348M41.1Very low50.4Low177 Ų177103.9 Ų103.987%0.87254%0.54SS*.SBendtrans-73-12-177.7-160.8168.6-177.700113.2D346D346-M348 PolarHBondContact O-N 2.85Å
349V39.7Very low48.3Very low77 Ų77103.4 Ų103.447%0.46755%0.553SS.*SBendtrans-118.7122166.6-173.20000108G347G347-V349 PolarHBondContact O-N 3.39Å
350R33.2Very low45.8Very low225 Ų225112 Ų11285%0.84959%0.589SS**  trans-56.3144.6170.4-89-178.1168.4170.2-3.6110Y352R350-Y352 PolarHBondContact O-N 3.42Å
351E30.6Very low43.4Very low194 Ų194117 Ų11791%0.90762%0.623SS**  trans-56.497.6167.8-69.6-170.1124.900111.1
352Y34.3Very low41.1Very low199 Ų199121.1 Ų121.178%0.7865%0.653SS**  trans-75.6122.4149.9-83.7-88.5000106.7R350 A354R350-Y352 PolarHBondContact O-N 3.42Å; Y352-A354 PolarHBondContact O-N 2.82Å
353P32.8Very low38.8Very low65 Ų65121.7 Ų121.742%0.42267%0.672SS.*  trans-75.574.6-173.330.8-36.9000111.5G355 A356 E357P353-G355 PolarHBondContact O-N 3.3Å; P353-A356 HydrophobicContact CB-CB 4.3Å; P353-A356 PolarHBondContact O-N 3.06Å; P353-E357 HydrophobicContact CG-CB 4.36Å; P353-E357 HydrophobicContact CG-CG 3.96Å; P353-E357 PolarHBondContact O-N 3.44Å
354A36.4Very low37Very low95 Ų95128.7 Ų128.779%0.78570%0.701SS**THydrogen-bonded Turntrans-68.663.9177.400000111.7Y352Y352-A354 PolarHBondContact O-N 2.82Å
355G34.7Very low35.2Very low57 Ų57136.5 Ų136.559%0.58872%0.721SS**THydrogen-bonded Turntrans174.3-47.1-177.300000111.2P353P353-G355 PolarHBondContact O-N 3.3Å
356A32.2Very low33.8Very low72 Ų72135 Ų13560%0.59573%0.727SS**THydrogen-bonded Turntrans-89.5-31.9-17400000114.7P353 R358P353-A356 HydrophobicContact CB-CB 4.3Å; P353-A356 PolarHBondContact O-N 3.06Å; A356-R358 PolarHBondContact O-N 2.9Å
357E31.3Very low32.7Very low116 Ų116135.3 Ų135.354%0.54273%0.733SS.*G310 helixtrans-79.8-1.4176.7-88-154.3175.200114.4P353 A359P353-E357 HydrophobicContact CG-CB 4.36Å; P353-E357 HydrophobicContact CG-CG 3.96Å; P353-E357 PolarHBondContact O-N 3.44Å; E357-A359 PolarHBondContact O-N 3.1Å
358R39.5Very low31.9Very low164 Ų164135.9 Ų135.962%0.61974%0.739SS**G310 helixtrans-70.5-11.5177.1-158.2170.6-176.4167.8-1.7113.4A356A356-R358 PolarHBondContact O-N 2.9Å
359A33.2Very low31.3Very low85 Ų85139.3 Ų139.370%0.70274%0.743SS**G310 helixtrans-122.124.3-16500000115.4E357E357-A359 PolarHBondContact O-N 3.1Å
360K30.5Very low30.7Very low182 Ų182147.6 Ų147.679%0.79177%0.765SS**  trans-131.3106.2178.5-70.3-178.5-177.71720113
361T31.1Very low30.6Very low131 Ų131149 Ų14980%0.80477%0.771SS**  trans-105.3149.9163.753.30000110.3S363T361-S363 PolarHBondContact O-N 3.15Å
362P28.7Very low30.3Very low125 Ų125143.6 Ų143.681%0.81277%0.768SS**PPolyproline II helixtrans-75.2121-179-14.930.6000111.7K364P362-K364 PolarHBondContact O-N 3.22Å
363S27.9Very low29.9Very low119 Ų119145.9 Ų145.983%0.83278%0.775SS**PPolyproline II helixtrans-66116.9174.7-175.30000111.1T361 R365T361-S363 PolarHBondContact O-N 3.15Å; S363-R365 PolarHBondContact O-N 3.17Å
364K28.9Very low29.7Very low200 Ų200150.5 Ų150.587%0.8780%0.795SS**PPolyproline II helixtrans-69124.4172.6-76.1-174.2175.3178.40109.6P362 S366P362-K364 PolarHBondContact O-N 3.22Å; K364-S366 PolarHBondContact O-N 2.86Å; K364-S366 VanDerWaalsContact O-N 3.14Å
365R26.5Very low29.6Very low243 Ų243150.8 Ų150.892%0.91779%0.789SS**  trans-55.4115.5174.4-76.3178.1168.3170.7-4.3111.2S363 V367S363-R365 PolarHBondContact O-N 3.17Å; R365-V367 PolarHBondContact O-N 2.74Å
366S25.7Very low29.2Very low113 Ų113154.7 Ų154.779%0.7980%0.796SS**  trans-69.8121.1163.355.80000110K364 G368K364-S366 PolarHBondContact O-N 2.86Å; K364-S366 VanDerWaalsContact O-N 3.14Å; S366-G368 PolarHBondContact O-N 3.24Å
367V25.3Very low28.8Very low147 Ų147156 Ų15689%0.89180%0.802SS**  trans-75.392176.2179.60000109.6R365 R369R365-V367 PolarHBondContact O-N 2.74Å; V367-R369 PolarHBondContact O-N 3.44Å
368G27Very low28.4Very low67 Ų67155.2 Ų155.269%0.69181%0.808SS**PPolyproline II helixtrans-66.4127.6176.600000112.2S366S366-G368 PolarHBondContact O-N 3.24Å
369R28.8Very low27.6Very low250 Ų250152.1 Ų152.194%0.94381%0.812SS**PPolyproline II helixtrans-64.4141.4174.4-83-179.4167.6172.8-4.3111.2V367 R371V367-R369 PolarHBondContact O-N 3.44Å; R369-R371 PolarHBondContact O-N 3.33Å
370R27.1Very low27.2Very low250 Ų250159.4 Ų159.494%0.94382%0.821SS**PPolyproline II helixtrans-59.6125176.6-63174.9178.9169.7-2.1112
371R30Very low27.9Very low254 Ų254156.7 Ų156.796%0.95882%0.822SS**  trans-136.5125.5138.7-82.9-169.8170.6176.9-2.9107R369R369-R371 PolarHBondContact O-N 3.33Å
372G24.6Very low27.5Very low82 Ų82154 Ų15485%0.84582%0.82SS**  trans-110.1153.8-170.600000113.4
373R26Very low27.4Very low247 Ų247154.6 Ų154.693%0.93282%0.822SS**  trans-147.1139.4151.5-135.6178.8-169.9-160.41.2109
374L27.7Very low27.9Very low161 Ų161153.9 Ų153.984%0.84382%0.815SS**  trans-114.3175174.1-69.5167.4000107.7
375P35.3Very low27.9Very low101 Ų101150.5 Ų150.566%0.65681%0.811SS**  -133.1-142.2-64.439.9-22.3000110.2
376N25.1Very low27.9Very low139 Ų139144.9 Ų144.974%0.74380%0.803SS**  trans72.5132.6172.8-67.710.1000115.7
377S23.7Very low27.9Very low101 Ų101144.4 Ų144.471%0.70680%0.8SS**  cis83.5141.137.587.10000113.3
378S23.5Very low28.1Very low98 Ų98142.1 Ų142.169%0.68579%0.79SS**  cis-157.9171.21558.30000114.3
379S23.8Very low28.2Very low99 Ų99147.1 Ų147.169%0.69280%0.796SS**  trans48.5116.5143.559.30000123.3
380R24Very low28.2Very low238 Ų238140.5 Ų140.590%0.89878%0.783SS**  17.1162.4115.1-88-173.9176-170.9-0.9120.8
381P45.8Very low28.3Very low125 Ų125136.5 Ų136.581%0.81277%0.773SS**  cis-138.2-172.3-15.539-19.9000114.6
382G22.9Very low28.2Very low74 Ų74130.2 Ų130.276%0.76376%0.758SS**  trans-173.9119.4166.400000116.1
383T25.9Very low28.5Very low139 Ų139133.6 Ų133.685%0.85376%0.762SS**  trans-140.7161.6170.428.90000106.7
384P39.4Very low28.5Very low104 Ų104128.9 Ų128.968%0.67576%0.756SS**  cis-154.8171.54643.8-22.6000119.9
385T28.3Very low28.6Very low128 Ų128125.5 Ų125.579%0.78575%0.746SS**  trans51.4154.7146.2540000121.2
386V26.1Very low28.3Very low126 Ų126126.9 Ų126.976%0.76475%0.747SS**  cis-149.4159.939.2177.20000112.8
387S26.3Very low28.4Very low103 Ų103129.8 Ų129.872%0.7275%0.748SS**  trans-31.8171.5163.2-31.20000119.6
388S28.3Very low28.7Very low98 Ų98133 Ų13369%0.68575%0.752SS**  cis-175.4-179.5-6.733.90000112.8
389E28.8Very low28.8Very low173 Ų173132 Ų13281%0.80876%0.757SS**  trans83.8150.5160.4-56.6-160.9172.300118.5
390T30.2Very low29.1Very low111 Ų111132.3 Ų132.368%0.68176%0.759SS**  cis-153.5150.14.2210000114
391K29.6Very low29.4Very low166 Ų166128.8 Ų128.872%0.72275%0.75SS**  trans59.5130.7137.9-72.6-176.8157.1-80.60126.4
392D26.4Very low28.5Very low121 Ų121128.9 Ų128.965%0.64774%0.744SS**  52.2128.4123.8-42-12.5000124.8
393T31.6Very low28.8Very low153 Ų153130.8 Ų130.894%0.93974%0.736SS**  trans-155149.8139.733.90000109.9
394D26Very low29.1Very low148 Ų148131.8 Ų131.879%0.79173%0.731SS**  trans-149.8157.4-172.4-162.7-20.2000111.7
395S29.7Very low28.6Very low91 Ų91135.2 Ų135.264%0.63673%0.731SS**  trans76.8156.3153.7-69.90000123.1
396D27.9Very low28.7Very low129 Ų129135.9 Ų135.969%0.6973%0.725SS**  trans68.1146.1162.6-74.1-37.6000120.4
397R28.7Very low28.8Very low201 Ų201135.6 Ų135.676%0.75872%0.719SS**  cis-172.8168-27.9-130.3-167.7175.4108.1-10.8110.8
398E29Very low29.1Very low168 Ų168135.6 Ų135.679%0.78571%0.712SS**  trans63.291.5130.851.6-172.7145.200119.8
399G26.5Very low29.4Very low76 Ų76138 Ų13878%0.78471%0.71SS**  110.9171.176.900000111.8
400S28.9Very low29.6Very low106 Ų106135.4 Ų135.474%0.74170%0.701SS**  cis-171.4-176.1-10.4-169.30000110
401K30.4Very low29.8Very low165 Ų165137 Ų13772%0.71771%0.706SS**  trans76.9156.3162.9-58.3-162.8142.8-69.70119.7
402D27.9Very low30.2Very low127 Ų127136.2 Ų136.268%0.67970%0.704SS**  cis-170.1160.5-17.7-85.4-10.2000105.6
403D28.7Very low30.7Very low113 Ų113136.1 Ų136.160%0.60470%0.704SS**  cis-107.2-87.9-40.9175.1-4.5000107.6R405D403-R405 IonicContact OD2-CZ 2.65Å; D403-R405 VanDerWaalsContact OD2-CZ 3.25Å; D403-R405 IonicContact OD2-NE 2.96Å; D403-R405 PolarHBondContact OD2-NE 2.89Å; D403-R405 IonicContact OD2-NH2 4Å; D403-R405 PolarHBondContact OD2-NH2 3.34Å
404E31.5Very low30.9Very low160 Ų160134.6 Ų134.675%0.74868%0.684SS**  cis-137.6139.6-40.6-94-148.597.600106.1
405R29.5Very low31.2Very low176 Ų176134.7 Ų134.766%0.66468%0.678SS**  74.4140.172.8-62.6-179.7-154-130.62115.5D403D403-R405 IonicContact OD2-CZ 2.65Å; D403-R405 VanDerWaalsContact OD2-CZ 3.25Å; D403-R405 IonicContact OD2-NE 2.96Å; D403-R405 PolarHBondContact OD2-NE 2.89Å; D403-R405 IonicContact OD2-NH2 4Å; D403-R405 PolarHBondContact OD2-NH2 3.34Å
406E30.8Very low31.1Very low142 Ų142136.8 Ų136.866%0.66468%0.682SS**  cis-158.5156.812.2-136.6-177.6-132.300113.2
407N28.6Very low31Very low120 Ų120138.4 Ų138.464%0.64269%0.685SS**  trans54.6155146.6-71.5-18.5000121.2
408D33Very low30.9Very low104 Ų104133.9 Ų133.956%0.55668%0.68SS**  cis-164.8159.72.4-130.1-27.9000110.9
409K33.8Very low30.8Very low148 Ų148131.4 Ų131.464%0.64368%0.677SS**  trans65.1150.4145.3-66.6178.6172.760.10121.3
410D32.2Very low30.8Very low119 Ų119132.4 Ų132.464%0.63667%0.672SS**  cis-156.7154.8-8.6-98.1-26.7000110.2
411D35.7Very low30.8Very low145 Ų145132.6 Ų132.678%0.77567%0.673SS**  trans41.3152.9145.7-60.1-17.6000122.6
412E37.1Very low30.7Very low148 Ų148130.2 Ų130.269%0.69268%0.677SS**  cis-163.7147.51.5-134.9-111.1-170.600107K414E412-K414 IonicContact OE1-NZ 2.73Å; E412-K414 PolarHBondContact OE1-NZ 2.94Å; E412-K414 IonicContact OE2-NZ 2.78Å; E412-K414 PolarHBondContact OE2-NZ 3.37Å
413D37.3Very low30.8Very low120 Ų120133.2 Ų133.264%0.64269%0.687SS**  cis-148-97-28.1163.325.7000106.4
414K35.7Very low30.7Very low120 Ų120131.9 Ų131.952%0.52270%0.699SS.*  cis-152.995.6-25.1-170.1162.3-106.258.40112.6E412E412-K414 IonicContact OE1-NZ 2.73Å; E412-K414 PolarHBondContact OE1-NZ 2.94Å; E412-K414 IonicContact OE2-NZ 2.78Å; E412-K414 PolarHBondContact OE2-NZ 3.37Å
415K31.7Very low30.5Very low150 Ų150131.6 Ų131.665%0.65270%0.703SS**  trans69.3149.2149-67.5177.3150.4-79.20119.8
416D28.2Very low30.4Very low135 Ų135128.2 Ų128.272%0.72271%0.707SS**  cis-142.5155.8-6.6-106.1-34.7000110
417E25.4Very low30.4Very low164 Ų164132.3 Ų132.377%0.76672%0.716SS**  trans-107.6147.7-167.2-97.8-97.899.400113.7
418T27.3Very low30.3Very low105 Ų105132.4 Ų132.464%0.64473%0.725SS**  trans65.6172.6148.9730000119.6
419T25.7Very low30.1Very low117 Ų117136.9 Ų136.972%0.71874%0.742SS**  cis-146.4159.4-1.8-110000113.4
420S26.6Very low29.9Very low97 Ų97136 Ų13668%0.67875%0.749SS**  trans25.1111.5144.9-73.80000122.9
421S28.9Very low29.9Very low110 Ų110136.1 Ų136.177%0.76976%0.757SS**  31.3126.9115.464.80000121.3
422S29Very low29.6Very low114 Ų114135.6 Ų135.680%0.79776%0.758SS**  trans-150.7134.7135.459.40000112.8
423E29.7Very low29.1Very low191 Ų191137.8 Ų137.889%0.89377%0.765SS**  trans22.8109.3147.4-61.3-64.691.400119.2
424G26.7Very low28.7Very low84 Ų84140 Ų14087%0.86677%0.774SS**  trans-142.5108.116800000112.6
425N28.4Very low28.1Very low155 Ų155142.4 Ų142.483%0.82979%0.785SS**  trans-146.698.9177.2-177.613.7000113.6
426S27.7Very low28Very low105 Ų105142.4 Ų142.473%0.73479%0.791SS**  trans-170.7141.6136.6-94.10000114.4
427R28.8Very low28.1Very low228 Ų228140.8 Ų140.886%0.8679%0.786SS**  trans71.582.7153.9-69.9178.7171.4149.50.3119.7
428C26.8Very low28.4Very low122 Ų122136.1 Ų136.182%0.82477%0.771SS**  60.398.7117.3-57.60000119.8
429Q28.8Very low28.7Very low198 Ų198138.4 Ų138.493%0.92577%0.774SS**  -124.7151.2122-71.1-164.50.100109.7
430T29.5Very low29.5Very low129 Ų129137.2 Ų137.279%0.79177%0.768SS**  trans-81.5135-17347.30000111.9V432T430-V432 PolarHBondContact O-N 2.88Å
431P32.5Very low30.5Very low122 Ų122139 Ų13979%0.79277%0.766SS**  trans-70.3123.5175.429-33.6000110.7K433P431-K433 PolarHBondContact O-N 3.22Å
432V29Very low32Very low133 Ų133138.3 Ų138.381%0.80677%0.767SS**  trans-68.3112.4167.9177.20000107.9T430 M434T430-V432 PolarHBondContact O-N 2.88Å; V432-M434 PolarHBondContact O-N 3Å
433K27.2Very low34.3Very low194 Ų194134.7 Ų134.784%0.84374%0.74SS**  trans-61.8102.4168.6-86.8-176.1170.8179.60109P431 K435P431-K433 PolarHBondContact O-N 3.22Å; K433-K435 PolarHBondContact O-N 3.14Å
434M28.7Very low36.9Very low166 Ų166132.3 Ų132.382%0.81873%0.733SS**  trans-66.489.5159.7-75-163.472.800108.3V432 L436V432-M434 PolarHBondContact O-N 3Å; M434-L436 PolarHBondContact O-N 3.49Å
435K24.5Very low39.9Very low172 Ų172130.6 Ų130.675%0.74870%0.7SS**  trans-75.689.7179.1-169.3-172.6-179.6-168.10107.8K433 T437K433-K435 PolarHBondContact O-N 3.14Å; K435-T437 HydrophobicContact CD-CG2 4.36Å; K435-T437 HydrophobicContact CG-CG2 4.24Å; K435-T437 PolarHBondContact O-N 3.08Å
436L29.3Very low42.9Very low150 Ų150126.8 Ų126.879%0.78568%0.683SS**  trans-7068.9173.5-78.6169.6000111M434 C438M434-L436 PolarHBondContact O-N 3.49Å; L436-C438 PolarHBondContact O-N 2.83Å
437T29.7Very low45.9Very low100 Ų100122.6 Ų122.661%0.61366%0.656SS**  trans-70.877.2156.542.60000108.2K435 E439K435-T437 HydrophobicContact CD-CG2 4.36Å; K435-T437 HydrophobicContact CG-CG2 4.24Å; K435-T437 PolarHBondContact O-N 3.08Å; T437-E439 PolarHBondContact O-N 2.84Å
438C31.7Very low48.9Very low66 Ų66112.9 Ų112.945%0.44663%0.625SS.*  trans-75.195.9162.7-171.60000107L436 R477L436-C438 PolarHBondContact O-N 2.83Å; C438-R477 PolarHBondContact SG-NH2 2.84Å; C438-R477 VanDerWaalsContact SG-NH2 3.38Å
439E33.7Very low52.1Low154 Ų154108.1 Ų108.172%0.7259%0.591SS**  trans-49.7138.2156.2-70.2-64.1131.100107.9T437 E441T437-E439 PolarHBondContact O-N 2.84Å; E439-E441 PolarHBondContact O-N 2.63Å
440P43.4Very low55Low91 Ų9198.9 Ų98.959%0.59155%0.548SS*.  trans-66.9109.7-177.826.9-33.1000109A442P440-A442 PolarHBondContact O-N 2.89Å
441E47.3Very low58Low136 Ų13692.8 Ų92.864%0.63651%0.511SS*.  trans-51.1133.9175.9-69-172.5143.400109.8E439 V443E439-E441 PolarHBondContact O-N 2.63Å; E441-V443 HydrophobicContact CB-CG2 3.97Å; E441-V443 PolarHBondContact O-N 3.06Å
442A59Low60.9Low95 Ų9589.7 Ų89.779%0.78549%0.487SS*.  trans-7564.3178.400000110.2P440 D444P440-A442 PolarHBondContact O-N 2.89Å; A442-D444 PolarHBondContact O-N 3.23Å; A442-D444 VanDerWaalsContact O-N 3.14Å
443V78.7Confident64Low38 Ų3883.3 Ų83.323%0.2345%0.449CS..  trans-71.4105.3177.5-179.30000108.3E441 W445 K474 Q478E441-V443 HydrophobicContact CB-CG2 3.97Å; E441-V443 PolarHBondContact O-N 3.06Å; V443-W445 VanDerWaalsContact O-CD1 3.25Å; V443-K474 HydrophobicContact CG1-CD 3.97Å; V443-Q478 HydrophobicContact CG2-CG 4.36Å
444D83.7Confident67Low141 Ų14175.8 Ų75.875%0.75442%0.415SS*.  trans-65144.6174.5-74.1-43.6000111.9A442 K474A442-D444 PolarHBondContact O-N 3.23Å; A442-D444 VanDerWaalsContact O-N 3.14Å; D444-K474 WeakPolarHBondContact O-CE 3.31Å; D444-K474 PolarHBondContact O-NZ 3.18Å
445W89.5Confident70Confident47 Ų4769 Ų6918%0.17838%0.383CS..  trans-116.4117.9176.6-78.771.6000109.2V443 E449 F453 I471 K474 V479 F482V443-W445 VanDerWaalsContact O-CD1 3.25Å; W445-E449 HydrophobicContact CE3-CB 3.69Å; W445-E449 HydrophobicContact CZ3-CB 4.08Å; W445-F453 HydrophobicContact CH2-CD2 4.42Å; W445-F453 HydrophobicContact CZ3-CB 3.95Å; W445-F453 HydrophobicContact CZ3-CG 4.41Å; W445-I471 HydrophobicContact CH2-CD1 4.36Å; W445-I471 HydrophobicContact CZ3-CD1 4.25Å; W445-K474 HydrophobicContact CH2-CB 4.23Å; W445-K474 HydrophobicContact CH2-CG 3.87Å; W445-K474 HydrophobicContact CZ2-CB 4.31Å; W445-K474 HydrophobicContact CZ2-CD 4.14Å; W445-K474 HydrophobicContact CZ2-CG 3.9Å; W445-K474 HydrophobicContact CZ3-CG 4.26Å; W445-V479 HydrophobicContact CH2-CG2 4.14Å; W445-F482 HydrophobicContact CB-CD2 4.49Å; W445-F482 HydrophobicContact CB-CE2 3.97Å; W445-F482 AromaticContact CD1-CD2 3.62Å; W445-F482 AromaticContact CD1-CE2 3.95Å; W445-F482 HydrophobicContact CD2-CB 4.41Å; W445-F482 HydrophobicContact CD2-CD1 4.21Å; W445-F482 AromaticContact CD2-CD2 3.53Å; W445-F482 HydrophobicContact CD2-CD2 3.53Å; W445-F482 HydrophobicContact CD2-CE1 4.38Å; W445-F482 AromaticContact CD2-CE2 3.74Å; W445-F482 HydrophobicContact CD2-CE2 3.74Å; W445-F482 AromaticContact CD2-CG 3.79Å; W445-F482 HydrophobicContact CD2-CG 3.79Å; W445-F482 HydrophobicContact CD2-CZ 4.17Å; W445-F482 AromaticContact CE2-CD2 3.5Å; W445-F482 AromaticContact CE2-CG 3.54Å; W445-F482 HydrophobicContact CE3-CD1 4.07Å; W445-F482 HydrophobicContact CE3-CD2 4.19Å; W445-F482 HydrophobicContact CE3-CE1 4.09Å; W445-F482 HydrophobicContact CE3-CE2 4.21Å; W445-F482 HydrophobicContact CE3-CG 4.12Å; W445-F482 HydrophobicContact CE3-CZ 4.16Å; W445-F482 AromaticContact CG-CD2 3.64Å; W445-F482 HydrophobicContact CG-CD2 3.64Å; W445-F482 AromaticContact CG-CE2 3.6Å; W445-F482 HydrophobicContact CG-CE2 3.6Å; W445-F482 HydrophobicContact CG-CG 4.39Å; W445-F482 HydrophobicContact CG-CZ 4.31Å; W445-F482 HydrophobicContact CH2-CB 3.96Å; W445-F482 HydrophobicContact CH2-CD1 4.08Å; W445-F482 HydrophobicContact CH2-CG 4.01Å; W445-F482 HydrophobicContact CZ2-CB 3.4Å; W445-F482 VanDerWaalsContact CZ2-CB 3.4Å; W445-F482 HydrophobicContact CZ2-CD1 4.22Å; W445-F482 HydrophobicContact CZ2-CD2 4.14Å; W445-F482 AromaticContact CZ2-CG 3.68Å; W445-F482 HydrophobicContact CZ2-CG 3.68Å; W445-F482 HydrophobicContact CZ3-CD1 4.01Å; W445-F482 HydrophobicContact CZ3-CE1 4.33Å; W445-F482 HydrophobicContact CZ3-CG 4.23Å; W445-F482 AromaticContact NE1-CD2 3.54Å; W445-F482 AromaticContact NE1-CG 3.98Å
446T92Very high73.2Confident76 Ų7661.6 Ų61.647%0.46635%0.351SS..  trans-65.8159.1174.159.60000111.2A448 E449 A450T446-A448 PolarHBondContact O-N 2.81Å; T446-E449 WeakPolarHBondContact CB-OE2 3.48Å; T446-E449 WeakPolarHBondContact CG2-OE2 3.49Å; T446-E449 PolarHBondContact N-OE2 2.74Å; T446-E449 PolarHBondContact O-N 3.16Å; T446-E449 WeakPolarHBondContact OG1-CB 3.49Å; T446-E449 VanDerWaalsContact OG1-CD 3.27Å; T446-E449 WeakPolarHBondContact OG1-CG 3.35Å; T446-E449 PolarHBondContact OG1-N 3.05Å; T446-E449 VanDerWaalsContact OG1-N 3.16Å; T446-E449 PolarHBondContact OG1-OE2 2.8Å; T446-A450 WeakPolarHBondContact O-CB 3.3Å; T446-A450 PolarHBondContact O-N 2.73Å
447G89.9Confident76Confident16 Ų1655.9 Ų55.917%0.16532%0.321CS..Hα-helixtrans-57.6-33.417400000112.8S451G447-S451 WeakPolarHBondContact O-CB 3.44Å; G447-S451 PolarHBondContact O-N 2.96Å; G447-S451 VanDerWaalsContact O-N 3.17Å; G447-S451 PolarHBondContact O-OG 2.71Å
448A91.9Very high78.5Confident25 Ų2552.3 Ų52.321%0.20730%0.304CS..Hα-helixtrans-63.8-56.617300000112.4I279 A284 T446 A450 S451 L452I279-A448 HydrophobicContact CG1-CB 3.95Å; I279-A448 VanDerWaalsContact O-CB 3.26Å; I279-A448 WeakPolarHBondContact O-CB 3.23Å; A284-A448 HydrophobicContact CB-CB 4.08Å; T446-A448 PolarHBondContact O-N 2.81Å; A448-A450 VanDerWaalsContact C-N 3.34Å; A448-A450 PolarHBondContact O-N 3.07Å; A448-S451 PolarHBondContact O-N 3.44Å; A448-L452 WeakPolarHBondContact O-CB 3.41Å; A448-L452 PolarHBondContact O-N 2.68Å
449E93.1Very high81.1Confident22 Ų2252.8 Ų52.810%0.10331%0.305CS..Hα-helixtrans-60.8-41-178.3-68.9164124.800112.5W445 T446 L452 F453 I471 T473 K474W445-E449 HydrophobicContact CE3-CB 3.69Å; W445-E449 HydrophobicContact CZ3-CB 4.08Å; T446-E449 WeakPolarHBondContact CB-OE2 3.48Å; T446-E449 WeakPolarHBondContact CG2-OE2 3.49Å; T446-E449 PolarHBondContact N-OE2 2.74Å; T446-E449 PolarHBondContact O-N 3.16Å; T446-E449 WeakPolarHBondContact OG1-CB 3.49Å; T446-E449 VanDerWaalsContact OG1-CD 3.27Å; T446-E449 WeakPolarHBondContact OG1-CG 3.35Å; T446-E449 PolarHBondContact OG1-N 3.05Å; T446-E449 VanDerWaalsContact OG1-N 3.16Å; T446-E449 PolarHBondContact OG1-OE2 2.8Å; E449-L452 PolarHBondContact O-N 2.61Å; E449-F453 VanDerWaalsContact O-CB 3.27Å; E449-F453 WeakPolarHBondContact O-CB 3.44Å; E449-F453 PolarHBondContact O-N 3.46Å; E449-I471 HydrophobicContact CG-CG2 4.44Å; E449-T473 WeakPolarHBondContact OE1-CB 3.27Å; E449-T473 PolarHBondContact OE1-OG1 3Å; E449-K474 WeakPolarHBondContact OE1-CE 3.39Å; E449-K474 IonicContact OE1-NZ 3.96Å; E449-K474 PolarHBondContact OE1-NZ 2.72Å; E449-K474 IonicContact OE2-NZ 3.43Å; E449-K474 PolarHBondContact OE2-NZ 3.13Å; E449-K474 VanDerWaalsContact OE2-NZ 3.09Å
450A91.4Very high83.5Confident3 Ų350.2 Ų50.23%0.02529%0.29CS..Hα-helixtrans-66.3-40.6178.700000112.2S286 T446 A448 R454 F482S286-A450 WeakPolarHBondContact OG-CB 3.25Å; T446-A450 WeakPolarHBondContact O-CB 3.3Å; T446-A450 PolarHBondContact O-N 2.73Å; A448-A450 VanDerWaalsContact C-N 3.34Å; A448-A450 PolarHBondContact O-N 3.07Å; A450-R454 WeakPolarHBondContact O-CG 3.45Å; A450-R454 PolarHBondContact O-N 3.16Å; A450-R454 VanDerWaalsContact O-N 3.11Å; A450-F482 HydrophobicContact CB-CE1 4.42Å; A450-F482 HydrophobicContact CB-CZ 3.93Å
451S92.3Very high85.5Confident2 Ų248.6 Ų48.61%0.01427%0.272CS..Hα-helixtrans-69.2-43.8176.3-55.50000111.3R285 V287 G447 A448 F453 R454 V455R285-S451 PolarHBondContact O-OG 2.79Å; V287-S451 WeakPolarHBondContact CG2-OG 3.41Å; V287-S451 PolarHBondContact N-OG 3.14Å; G447-S451 WeakPolarHBondContact O-CB 3.44Å; G447-S451 PolarHBondContact O-N 2.96Å; G447-S451 VanDerWaalsContact O-N 3.17Å; G447-S451 PolarHBondContact O-OG 2.71Å; A448-S451 PolarHBondContact O-N 3.44Å; S451-F453 VanDerWaalsContact C-N 3.34Å; S451-F453 PolarHBondContact O-N 3.03Å; S451-R454 PolarHBondContact O-N 3.41Å; S451-V455 WeakPolarHBondContact O-CG2 3.49Å; S451-V455 PolarHBondContact O-N 3.31Å
452L93.4Very high87.2Confident56 Ų5644.3 Ų44.329%0.29325%0.253SS..Hα-helixtrans-61.2-41.5175.4-178.257.7000111.5I279 A448 E449 V455 L456 I471I279-L452 HydrophobicContact CD1-CB 4.02Å; A448-L452 WeakPolarHBondContact O-CB 3.41Å; A448-L452 PolarHBondContact O-N 2.68Å; E449-L452 PolarHBondContact O-N 2.61Å; L452-V455 PolarHBondContact O-N 3.35Å; L452-L456 HydrophobicContact CD1-CD1 4.02Å; L452-L456 HydrophobicContact CD1-CG 4.08Å; L452-L456 HydrophobicContact CG-CD1 3.87Å; L452-L456 HydrophobicContact CG-CG 4.36Å; L452-L456 WeakPolarHBondContact O-CB 3.21Å; L452-L456 VanDerWaalsContact O-CG 3.24Å; L452-L456 WeakPolarHBondContact O-CG 3.43Å; L452-L456 PolarHBondContact O-N 3.26Å; L452-I471 HydrophobicContact CD2-CG1 4.09Å; L452-I471 HydrophobicContact CG-CG1 4.22Å
453F92.9Very high88.5Confident0 Ų040.6 Ų40.60%022%0.221CC..Hα-helixtrans-58-50.2172.9169.1-90.8000111.9W445 E449 S451 V455 L456 I457 I467 I471 V479 F482 R483 E486W445-F453 HydrophobicContact CH2-CD2 4.42Å; W445-F453 HydrophobicContact CZ3-CB 3.95Å; W445-F453 HydrophobicContact CZ3-CG 4.41Å; E449-F453 VanDerWaalsContact O-CB 3.27Å; E449-F453 WeakPolarHBondContact O-CB 3.44Å; E449-F453 PolarHBondContact O-N 3.46Å; S451-F453 VanDerWaalsContact C-N 3.34Å; S451-F453 PolarHBondContact O-N 3.03Å; F453-V455 VanDerWaalsContact C-N 3.3Å; F453-V455 PolarHBondContact O-N 3.37Å; F453-L456 PolarHBondContact O-N 3.34Å; F453-L456 VanDerWaalsContact O-N 3.09Å; F453-I457 HydrophobicContact CD1-CD1 4.45Å; F453-I457 HydrophobicContact CD1-CG2 4.46Å; F453-I457 HydrophobicContact CD2-CG2 4.2Å; F453-I457 HydrophobicContact CE1-CD1 3.88Å; F453-I457 HydrophobicContact CE1-CG2 4Å; F453-I457 HydrophobicContact CE2-CG2 3.7Å; F453-I457 HydrophobicContact CZ-CD1 4.36Å; F453-I457 HydrophobicContact CZ-CG2 3.59Å; F453-I457 WeakPolarHBondContact O-CG1 3.17Å; F453-I457 PolarHBondContact O-N 3.42Å; F453-I467 HydrophobicContact CD2-CG2 4.22Å; F453-I471 HydrophobicContact CB-CD1 4.13Å; F453-V479 HydrophobicContact CD2-CG1 4.12Å; F453-V479 HydrophobicContact CE2-CG1 3.93Å; F453-F482 HydrophobicContact CB-CD1 4.43Å; F453-F482 HydrophobicContact CB-CE1 4.34Å; F453-F482 AromaticContact CD1-CD1 3.5Å; F453-F482 HydrophobicContact CD1-CD1 3.5Å; F453-F482 VanDerWaalsContact CD1-CD1 3.5Å; F453-F482 AromaticContact CD1-CE1 3.47Å; F453-F482 HydrophobicContact CD1-CE1 3.47Å; F453-F482 VanDerWaalsContact CD1-CE1 3.47Å; F453-F482 HydrophobicContact CD2-CD1 4.03Å; F453-F482 AromaticContact CE1-CD1 3.61Å; F453-F482 HydrophobicContact CE1-CD1 3.61Å; F453-F482 AromaticContact CE1-CE1 3.88Å; F453-F482 HydrophobicContact CE1-CE1 3.88Å; F453-F482 HydrophobicContact CE2-CD1 4.13Å; F453-F482 AromaticContact CG-CD1 3.72Å; F453-F482 HydrophobicContact CG-CD1 3.72Å; F453-F482 AromaticContact CG-CE1 3.93Å; F453-F482 HydrophobicContact CG-CE1 3.93Å; F453-F482 AromaticContact CZ-CD1 3.94Å; F453-F482 HydrophobicContact CZ-CD1 3.94Å; F453-R483 HydrophobicContact CE2-CB 4.25Å; F453-R483 HydrophobicContact CZ-CB 3.78Å; F453-R483 HydrophobicContact CZ-CG 4.46Å; F453-E486 HydrophobicContact CE1-CG 4.2Å
454R91.2Very high88.9Confident35 Ų3539.2 Ų39.213%0.13221%0.211CC..Hα-helixtrans-60.1-38.7178-73.1171.6-171.8142.37.4112.3S286 V287 R289 A450 S451 I457 E486S286-R454 PolarHBondContact OG-NH1 3.06Å; S286-R454 PolarHBondContact OG-NH2 3.18Å; V287-R454 WeakPolarHBondContact O-CD 3.35Å; V287-R454 PolarHBondContact O-NH1 3.17Å; R289-R454 HydrophobicContact CB-CB 4.47Å; A450-R454 WeakPolarHBondContact O-CG 3.45Å; A450-R454 PolarHBondContact O-N 3.16Å; A450-R454 VanDerWaalsContact O-N 3.11Å; S451-R454 PolarHBondContact O-N 3.41Å; R454-I457 WeakPolarHBondContact O-CG1 3.43Å; R454-E486 WeakPolarHBondContact CG-OE2 3.45Å; R454-E486 IonicContact CZ-OE1 2.67Å; R454-E486 IonicContact NE-OE1 2.71Å; R454-E486 PolarHBondContact NE-OE1 3.1Å; R454-E486 IonicContact NE-OE2 2.75Å; R454-E486 PolarHBondContact NE-OE2 3.03Å; R454-E486 IonicContact NH2-OE1 2.86Å; R454-E486 PolarHBondContact NH2-OE1 3.5Å
455V91.5Very high89Confident25 Ų2533.1 Ų33.115%0.15218%0.179CC..Hα-helixtrans-61.4-52.1171.1168.90000110.4R289 L293 S451 L452 F453 G458R289-V455 HydrophobicContact CB-CG2 4.49Å; R289-V455 HydrophobicContact CG-CG2 4.3Å; R289-V455 PolarHBondContact NH1-O 3.36Å; L293-V455 HydrophobicContact CD1-CG1 4.31Å; L293-V455 HydrophobicContact CD2-CG1 4.18Å; L293-V455 HydrophobicContact CD2-CG2 4.39Å; L293-V455 HydrophobicContact CG-CG1 4.47Å; L293-V455 HydrophobicContact CG-CG2 4.16Å; S451-V455 WeakPolarHBondContact O-CG2 3.49Å; S451-V455 PolarHBondContact O-N 3.31Å; L452-V455 PolarHBondContact O-N 3.35Å; F453-V455 VanDerWaalsContact C-N 3.3Å; F453-V455 PolarHBondContact O-N 3.37Å; V455-G458 PolarHBondContact O-N 3.02Å
456L90.7Very high88.9Confident16 Ų1631.9 Ų31.98%0.08418%0.179CC..Hα-helixtrans-66.2-41.1-173.8-71.6172.2000113.6L452 F453 G458 T459 Y460 I467 L470 I471L452-L456 HydrophobicContact CD1-CD1 4.02Å; L452-L456 HydrophobicContact CD1-CG 4.08Å; L452-L456 HydrophobicContact CG-CD1 3.87Å; L452-L456 HydrophobicContact CG-CG 4.36Å; L452-L456 WeakPolarHBondContact O-CB 3.21Å; L452-L456 VanDerWaalsContact O-CG 3.24Å; L452-L456 WeakPolarHBondContact O-CG 3.43Å; L452-L456 PolarHBondContact O-N 3.26Å; F453-L456 PolarHBondContact O-N 3.34Å; F453-L456 VanDerWaalsContact O-N 3.09Å; L456-G458 PolarHBondContact O-N 2.99Å; L456-T459 PolarHBondContact O-N 3.42Å; L456-Y460 HydrophobicContact CB-CD2 4.44Å; L456-Y460 HydrophobicContact CD2-CD2 3.78Å; L456-Y460 HydrophobicContact CD2-CE2 3.67Å; L456-Y460 PolarHBondContact O-N 3.47Å; L456-I467 HydrophobicContact CB-CG1 4.12Å; L456-I467 HydrophobicContact CB-CG2 4.02Å; L456-I467 HydrophobicContact CD1-CG2 4.02Å; L456-L470 HydrophobicContact CD1-CB 3.89Å; L456-L470 HydrophobicContact CD2-CB 4.3Å; L456-L470 HydrophobicContact CD2-CD1 3.79Å; L456-I471 HydrophobicContact CD1-CD1 4.33Å; L456-I471 HydrophobicContact CD1-CG1 3.77Å
457I88.4Confident88.8Confident30 Ų3028.2 Ų28.215%0.15416%0.157CC..Hα-helixtrans-61.9-25.5176.161.3173.7000112.9F453 R454 T459 Y461 I467F453-I457 HydrophobicContact CD1-CD1 4.45Å; F453-I457 HydrophobicContact CD1-CG2 4.46Å; F453-I457 HydrophobicContact CD2-CG2 4.2Å; F453-I457 HydrophobicContact CE1-CD1 3.88Å; F453-I457 HydrophobicContact CE1-CG2 4Å; F453-I457 HydrophobicContact CE2-CG2 3.7Å; F453-I457 HydrophobicContact CZ-CD1 4.36Å; F453-I457 HydrophobicContact CZ-CG2 3.59Å; F453-I457 WeakPolarHBondContact O-CG1 3.17Å; F453-I457 PolarHBondContact O-N 3.42Å; R454-I457 WeakPolarHBondContact O-CG1 3.43Å; I457-T459 PolarHBondContact O-N 2.89Å; I457-Y461 WeakPolarHBondContact O-CA 3.45Å; I457-Y461 PolarHBondContact O-N 3.13Å; I457-Y461 VanDerWaalsContact O-N 3.12Å; I457-I467 HydrophobicContact CG2-CD1 3.74Å
458G83.4Confident88.9Confident25 Ų2527.9 Ų27.926%0.25815%0.153SC..Hα-helixtrans-77.3-5.217500000114.7R289 V455 L456R289-G458 VanDerWaalsContact NH1-CA 3.34Å; R289-G458 PolarHBondContact NH1-O 3.47Å; V455-G458 PolarHBondContact O-N 3.02Å; L456-G458 PolarHBondContact O-N 2.99Å
459T86.1Confident88.8Confident75 Ų7537.3 Ų37.346%0.4618%0.183SC..Hα-helixtrans-124.2-37.4-178.1-61.70000112.5R289 L456 I457 Y461R289-T459 PolarHBondContact NH1-OG1 3.42Å; L456-T459 PolarHBondContact O-N 3.42Å; I457-T459 PolarHBondContact O-N 2.89Å; T459-Y461 WeakPolarHBondContact O-CE2 3.4Å
460Y84.4Confident88.8Confident101 Ų10140.4 Ų40.440%0.39620%0.2SC..Hα-helixtrans-104.6-2.5179.9-66.8-84000113.2L456 D462 N463 A466 L470L456-Y460 HydrophobicContact CB-CD2 4.44Å; L456-Y460 HydrophobicContact CD2-CD2 3.78Å; L456-Y460 HydrophobicContact CD2-CE2 3.67Å; L456-Y460 PolarHBondContact O-N 3.47Å; Y460-D462 PolarHBondContact O-N 3.3Å; Y460-N463 WeakPolarHBondContact O-CB 3.42Å; Y460-N463 PolarHBondContact O-N 2.91Å; Y460-N463 VanDerWaalsContact O-N 3.1Å; Y460-A466 HydrophobicContact CD1-CB 4.03Å; Y460-A466 HydrophobicContact CE1-CB 4.47Å; Y460-L470 HydrophobicContact CD2-CD1 4.09Å; Y460-L470 HydrophobicContact CE1-CD1 4.18Å; Y460-L470 HydrophobicContact CE2-CD1 3.42Å; Y460-L470 VanDerWaalsContact CE2-CD1 3.42Å; Y460-L470 VanDerWaalsContact CZ-CD1 3.47Å
461Y83.7Confident88.8Confident56 Ų5641 Ų4122%0.2220%0.202CC..THydrogen-bonded Turntrans51.4-121178.9-52-76.6000111.2N325 I457 T459N325-Y461 PolarHBondContact OD1-OH 3.15Å; N325-Y461 VanDerWaalsContact OD1-OH 3.08Å; I457-Y461 WeakPolarHBondContact O-CA 3.45Å; I457-Y461 PolarHBondContact O-N 3.13Å; I457-Y461 VanDerWaalsContact O-N 3.12Å; T459-Y461 WeakPolarHBondContact O-CE2 3.4Å
462D83.8Confident88.7Confident46 Ų4644 Ų4425%0.24623%0.234CC..THydrogen-bonded Turntrans-97.418-174.8-52.2-72.5000112.8Y460 F464 R483Y460-D462 PolarHBondContact O-N 3.3Å; D462-F464 VanDerWaalsContact C-N 3.3Å; D462-F464 HydrophobicContact CB-CE1 4.42Å; D462-F464 HydrophobicContact CB-CE2 3.88Å; D462-F464 HydrophobicContact CB-CZ 3.63Å; D462-F464 WeakPolarHBondContact O-CD2 3.16Å; D462-F464 WeakPolarHBondContact O-CE2 3.47Å; D462-F464 PolarHBondContact O-N 2.92Å; D462-R483 IonicContact OD1-NE 3.7Å; D462-R483 IonicContact OD1-NH2 2.72Å
463N85.7Confident88.6Confident18 Ų1845.8 Ų45.810%0.09625%0.247CC..  trans-81.872.2170.3-169.8-24.6000111.3L329 N331 Y460 C465 A466 I467L329-N463 PolarHBondContact O-ND2 2.79Å; N331-N463 PolarHBondContact ND2-ND2 2.74Å; N331-N463 PolarHBondContact ND2-OD1 2.8Å; Y460-N463 WeakPolarHBondContact O-CB 3.42Å; Y460-N463 PolarHBondContact O-N 2.91Å; Y460-N463 VanDerWaalsContact O-N 3.1Å; N463-C465 PolarHBondContact O-N 2.72Å; N463-C465 VanDerWaalsContact O-N 3.15Å; N463-C465 WeakPolarHBondContact OD1-CB 3.44Å; N463-C465 PolarHBondContact OD1-N 3.16Å; N463-A466 HydrophobicContact CB-CB 4.39Å; N463-A466 PolarHBondContact O-N 2.71Å; N463-A466 VanDerWaalsContact O-N 3.1Å; N463-A466 PolarHBondContact OD1-N 3.13Å; N463-I467 WeakPolarHBondContact O-CG1 3.49Å; N463-I467 PolarHBondContact O-N 3.23Å; N463-I467 VanDerWaalsContact O-N 3.17Å
464F87.4Confident88.5Confident9 Ų946.9 Ų46.94%0.03925%0.252CS..Hα-helixtrans-61.7-21.9-178.9-49.7-61.2000113.7Y340 D462 I467 A468 C476 V479 Y480 R483Y340-F464 HydrophobicContact CD1-CB 4.4Å; Y340-F464 AromaticContact CD2-CD2 3.9Å; Y340-F464 HydrophobicContact CD2-CD2 3.9Å; Y340-F464 HydrophobicContact CE1-CD2 4.35Å; Y340-F464 AromaticContact CE2-CD2 3.7Å; Y340-F464 HydrophobicContact CE2-CD2 3.7Å; Y340-F464 HydrophobicContact CE2-CE2 4.18Å; Y340-F464 HydrophobicContact CG-CD2 4.29Å; Y340-F464 AromaticContact CZ-CD2 3.94Å; D462-F464 VanDerWaalsContact C-N 3.3Å; D462-F464 HydrophobicContact CB-CE1 4.42Å; D462-F464 HydrophobicContact CB-CE2 3.88Å; D462-F464 HydrophobicContact CB-CZ 3.63Å; D462-F464 WeakPolarHBondContact O-CD2 3.16Å; D462-F464 WeakPolarHBondContact O-CE2 3.47Å; D462-F464 PolarHBondContact O-N 2.92Å; F464-I467 HydrophobicContact CD1-CD1 4.26Å; F464-A468 WeakPolarHBondContact O-CB 3.49Å; F464-A468 PolarHBondContact O-N 3.27Å; F464-C476 VanDerWaalsContact C-SG 3.58Å; F464-V479 HydrophobicContact CB-CG1 3.98Å; F464-V479 HydrophobicContact CD1-CG1 4Å; F464-V479 HydrophobicContact CG-CG1 4.42Å; F464-Y480 AromaticContact CD2-CD2 3.76Å; F464-Y480 HydrophobicContact CD2-CD2 3.76Å; F464-Y480 AromaticContact CE2-CD2 3.69Å; F464-Y480 HydrophobicContact CE2-CD2 3.69Å; F464-Y480 HydrophobicContact CE2-CE2 4.23Å; F464-Y480 HydrophobicContact CG-CD2 4.49Å; F464-Y480 HydrophobicContact CZ-CD2 4.37Å; F464-R483 HydrophobicContact CE1-CB 3.93Å; F464-R483 HydrophobicContact CE1-CG 3.66Å; F464-R483 HydrophobicContact CZ-CB 4.37Å; F464-R483 HydrophobicContact CZ-CG 3.8Å
465C86.7Confident88.5Confident12 Ų1247.7 Ų47.78%0.08126%0.261CS..Hα-helixtrans-65.2-45.5173-640000111.8C335 N463 R469 C476C335-C465 HydrophobicContact CB-CB 4.01Å; N463-C465 PolarHBondContact O-N 2.72Å; N463-C465 VanDerWaalsContact O-N 3.15Å; N463-C465 WeakPolarHBondContact OD1-CB 3.44Å; N463-C465 PolarHBondContact OD1-N 3.16Å; C465-R469 WeakPolarHBondContact O-CB 3.33Å; C465-R469 PolarHBondContact O-N 2.83Å; C465-C476 VanDerWaalsContact CA-SG 3.6Å
466A87.5Confident88.4Confident21 Ų2146.8 Ų46.817%0.17426%0.255CS..Hα-helixtrans-68.8-40.217600000111.5Y460 N463 R469 L470Y460-A466 HydrophobicContact CD1-CB 4.03Å; Y460-A466 HydrophobicContact CE1-CB 4.47Å; N463-A466 HydrophobicContact CB-CB 4.39Å; N463-A466 PolarHBondContact O-N 2.71Å; N463-A466 VanDerWaalsContact O-N 3.1Å; N463-A466 PolarHBondContact OD1-N 3.13Å; A466-R469 PolarHBondContact O-N 3.36Å; A466-L470 WeakPolarHBondContact O-CG 3.29Å; A466-L470 PolarHBondContact O-N 3.34Å; A466-L470 VanDerWaalsContact O-N 3.07Å
467I89.8Confident88.2Confident0 Ų048.6 Ų48.60%026%0.261CS..Hα-helixtrans-62.9-47.5179.7-62.4173.7000111F453 L456 I457 N463 F464 R469 L470 I471 V479F453-I467 HydrophobicContact CD2-CG2 4.22Å; L456-I467 HydrophobicContact CB-CG1 4.12Å; L456-I467 HydrophobicContact CB-CG2 4.02Å; L456-I467 HydrophobicContact CD1-CG2 4.02Å; I457-I467 HydrophobicContact CG2-CD1 3.74Å; N463-I467 WeakPolarHBondContact O-CG1 3.49Å; N463-I467 PolarHBondContact O-N 3.23Å; N463-I467 VanDerWaalsContact O-N 3.17Å; F464-I467 HydrophobicContact CD1-CD1 4.26Å; I467-R469 PolarHBondContact O-N 3.24Å; I467-L470 PolarHBondContact O-N 3.03Å; I467-L470 VanDerWaalsContact O-N 3.13Å; I467-I471 HydrophobicContact CG2-CD1 3.77Å; I467-I471 HydrophobicContact CG2-CG1 4.44Å; I467-I471 WeakPolarHBondContact O-CG1 3.41Å; I467-I471 PolarHBondContact O-N 3.47Å; I467-V479 HydrophobicContact CB-CG1 4.02Å; I467-V479 HydrophobicContact CG2-CG1 3.63Å
468A90.8Very high88.3Confident9 Ų949 Ų497%0.07426%0.262CS..Hα-helixtrans-61.2-41.6175.800000112.8F464 L470 I471 G472 C476 V479F464-A468 WeakPolarHBondContact O-CB 3.49Å; F464-A468 PolarHBondContact O-N 3.27Å; A468-L470 PolarHBondContact O-N 2.81Å; A468-I471 PolarHBondContact O-N 2.85Å; A468-G472 PolarHBondContact O-N 2.85Å; A468-C476 HydrophobicContact CB-CB 4.07Å; A468-V479 HydrophobicContact CB-CB 4.43Å; A468-V479 HydrophobicContact CB-CG2 3.84Å
469R90.7Very high88.6Confident222 Ų22247.8 Ų47.884%0.83825%0.25SC*.Hα-helixtrans-61.4-29.4175.2-176.5177.9176.787.33.5113.1C465 A466 I467C465-R469 WeakPolarHBondContact O-CB 3.33Å; C465-R469 PolarHBondContact O-N 2.83Å; A466-R469 PolarHBondContact O-N 3.36Å; I467-R469 PolarHBondContact O-N 3.24Å
470L92.2Very high88.7Confident88 Ų8846.3 Ų46.346%0.46124%0.236SC..Hα-helixtrans-88.3-28.3179.7-70.6168.1000113.4L456 Y460 A466 I467 A468L456-L470 HydrophobicContact CD1-CB 3.89Å; L456-L470 HydrophobicContact CD2-CB 4.3Å; L456-L470 HydrophobicContact CD2-CD1 3.79Å; Y460-L470 HydrophobicContact CD2-CD1 4.09Å; Y460-L470 HydrophobicContact CE1-CD1 4.18Å; Y460-L470 HydrophobicContact CE2-CD1 3.42Å; Y460-L470 VanDerWaalsContact CE2-CD1 3.42Å; Y460-L470 VanDerWaalsContact CZ-CD1 3.47Å; A466-L470 WeakPolarHBondContact O-CG 3.29Å; A466-L470 PolarHBondContact O-N 3.34Å; A466-L470 VanDerWaalsContact O-N 3.07Å; I467-L470 PolarHBondContact O-N 3.03Å; I467-L470 VanDerWaalsContact O-N 3.13Å; A468-L470 PolarHBondContact O-N 2.81Å
471I92.3Very high88.9Confident15 Ų1543.8 Ų43.88%0.07723%0.228CC..Hα-helixtrans-75.4-39.1171.6-67.5172.2000110.5W445 E449 L452 F453 L456 I467 A468 T473 K474 V479W445-I471 HydrophobicContact CH2-CD1 4.36Å; W445-I471 HydrophobicContact CZ3-CD1 4.25Å; E449-I471 HydrophobicContact CG-CG2 4.44Å; L452-I471 HydrophobicContact CD2-CG1 4.09Å; L452-I471 HydrophobicContact CG-CG1 4.22Å; F453-I471 HydrophobicContact CB-CD1 4.13Å; L456-I471 HydrophobicContact CD1-CD1 4.33Å; L456-I471 HydrophobicContact CD1-CG1 3.77Å; I467-I471 HydrophobicContact CG2-CD1 3.77Å; I467-I471 HydrophobicContact CG2-CG1 4.44Å; I467-I471 WeakPolarHBondContact O-CG1 3.41Å; I467-I471 PolarHBondContact O-N 3.47Å; A468-I471 PolarHBondContact O-N 2.85Å; I471-T473 WeakPolarHBondContact CG2-OG1 3.44Å; I471-T473 PolarHBondContact O-N 3.26Å; I471-K474 HydrophobicContact CG2-CB 4.06Å; I471-K474 HydrophobicContact CG2-CG 4.01Å; I471-V479 HydrophobicContact CD1-CG2 4.14Å
472G90.6Very high89.1Confident65 Ų6542.3 Ų42.367%0.6722%0.223SC*.  trans74.9-39.2175.900000115A468A468-G472 PolarHBondContact O-N 2.85Å
473T91.4Very high89.3Confident93 Ų9343.7 Ų43.757%0.57122%0.224SC*.SBendtrans-82.4-13-179.157.30000114.7E449 I471E449-T473 WeakPolarHBondContact OE1-CB 3.27Å; E449-T473 PolarHBondContact OE1-OG1 3Å; I471-T473 WeakPolarHBondContact CG2-OG1 3.44Å; I471-T473 PolarHBondContact O-N 3.26Å
474K90.3Very high89.3Confident23 Ų2346.2 Ų46.210%0.124%0.241CC..SBendtrans-125.8141.1-174.4-62.4-64.4-160.7-105.40111.5V443 D444 W445 E449 I471 Q478 V479V443-K474 HydrophobicContact CG1-CD 3.97Å; D444-K474 WeakPolarHBondContact O-CE 3.31Å; D444-K474 PolarHBondContact O-NZ 3.18Å; W445-K474 HydrophobicContact CH2-CB 4.23Å; W445-K474 HydrophobicContact CH2-CG 3.87Å; W445-K474 HydrophobicContact CZ2-CB 4.31Å; W445-K474 HydrophobicContact CZ2-CD 4.14Å; W445-K474 HydrophobicContact CZ2-CG 3.9Å; W445-K474 HydrophobicContact CZ3-CG 4.26Å; E449-K474 WeakPolarHBondContact OE1-CE 3.39Å; E449-K474 IonicContact OE1-NZ 3.96Å; E449-K474 PolarHBondContact OE1-NZ 2.72Å; E449-K474 IonicContact OE2-NZ 3.43Å; E449-K474 PolarHBondContact OE2-NZ 3.13Å; E449-K474 VanDerWaalsContact OE2-NZ 3.09Å; I471-K474 HydrophobicContact CG2-CB 4.06Å; I471-K474 HydrophobicContact CG2-CG 4.01Å; K474-Q478 HydrophobicContact CB-CB 4.46Å; K474-V479 HydrophobicContact CB-CG2 4.15Å
475T90.7Very high89.1Confident53 Ų5350.6 Ų50.633%0.32526%0.26SS..  trans-75.3163178.472.50000112.2R477 Q478 V479T475-R477 VanDerWaalsContact C-N 3.28Å; T475-R477 PolarHBondContact O-N 3.43Å; T475-Q478 PolarHBondContact O-N 2.75Å; T475-Q478 VanDerWaalsContact OG1-CG 3.31Å; T475-Q478 WeakPolarHBondContact OG1-CG 3.4Å; T475-Q478 PolarHBondContact OG1-N 2.73Å; T475-V479 WeakPolarHBondContact O-CG2 3.34Å; T475-V479 PolarHBondContact O-N 3.35Å
476C89.6Confident88.8Confident6 Ų650.5 Ų50.54%0.04126%0.258CS..Hα-helixtrans-61-38.1178.5-174.60000112.6C335 Y340 F464 C465 A468 Y480C335-C476 WeakPolarHBondContact SG-CB 3.38Å; Y340-C476 VanDerWaalsContact CD1-SG 3.52Å; F464-C476 VanDerWaalsContact C-SG 3.58Å; C465-C476 VanDerWaalsContact CA-SG 3.6Å; A468-C476 HydrophobicContact CB-CB 4.07Å; C476-Y480 PolarHBondContact O-N 2.86Å
477R87.7Confident88Confident54 Ų5453.1 Ų53.120%0.20428%0.275CS..Hα-helixtrans-58.5-53.2169.1174.2172.2178.2-174.5-2.1112.9E338 L343 C438 T475 V479 Y480 E481E338-R477 HydrophobicContact CB-CB 4.41Å; E338-R477 PolarHBondContact O-N 2.87Å; E338-R477 VanDerWaalsContact O-N 3.11Å; E338-R477 WeakPolarHBondContact OE2-CD 3.42Å; E338-R477 IonicContact OE2-CZ 2.84Å; E338-R477 IonicContact OE2-NE 2.71Å; E338-R477 IonicContact OE2-NH1 3.68Å; E338-R477 PolarHBondContact OE2-NH1 3.47Å; L343-R477 HydrophobicContact CD1-CG 3.87Å; C438-R477 PolarHBondContact SG-NH2 2.84Å; C438-R477 VanDerWaalsContact SG-NH2 3.38Å; T475-R477 VanDerWaalsContact C-N 3.28Å; T475-R477 PolarHBondContact O-N 3.43Å; R477-V479 VanDerWaalsContact C-N 3.28Å; R477-V479 PolarHBondContact O-N 3.32Å; R477-Y480 WeakPolarHBondContact O-CB 3.5Å; R477-Y480 PolarHBondContact O-N 3.27Å; R477-E481 HydrophobicContact CG-CG 4.45Å; R477-E481 WeakPolarHBondContact CG-OE1 3.37Å; R477-E481 IonicContact CZ-OE1 3.92Å; R477-E481 IonicContact NE-OE1 3.22Å; R477-E481 PolarHBondContact NE-OE1 2.93Å; R477-E481 IonicContact NH2-OE1 2.73Å; R477-E481 WeakPolarHBondContact O-CG 3.39Å; R477-E481 PolarHBondContact O-N 3.42Å
478Q88.7Confident86.6Confident37 Ų3757.4 Ų57.417%0.17331%0.31CS..Hα-helixtrans-59.8-37.4-179.4-72165.4-1100112.3V443 K474 T475 E481 F482V443-Q478 HydrophobicContact CG2-CG 4.36Å; K474-Q478 HydrophobicContact CB-CB 4.46Å; T475-Q478 PolarHBondContact O-N 2.75Å; T475-Q478 VanDerWaalsContact OG1-CG 3.31Å; T475-Q478 WeakPolarHBondContact OG1-CG 3.4Å; T475-Q478 PolarHBondContact OG1-N 2.73Å; Q478-E481 PolarHBondContact O-N 3.26Å; Q478-F482 WeakPolarHBondContact O-CB 3.32Å; Q478-F482 PolarHBondContact O-N 3.47Å
479V90.1Very high85.2Confident0 Ų063.5 Ų63.50%034%0.34CS..Hα-helixtrans-64-39.7174.6168.70000112W445 F453 F464 I467 A468 I471 K474 T475 R477 R483W445-V479 HydrophobicContact CH2-CG2 4.14Å; F453-V479 HydrophobicContact CD2-CG1 4.12Å; F453-V479 HydrophobicContact CE2-CG1 3.93Å; F464-V479 HydrophobicContact CB-CG1 3.98Å; F464-V479 HydrophobicContact CD1-CG1 4Å; F464-V479 HydrophobicContact CG-CG1 4.42Å; I467-V479 HydrophobicContact CB-CG1 4.02Å; I467-V479 HydrophobicContact CG2-CG1 3.63Å; A468-V479 HydrophobicContact CB-CB 4.43Å; A468-V479 HydrophobicContact CB-CG2 3.84Å; I471-V479 HydrophobicContact CD1-CG2 4.14Å; K474-V479 HydrophobicContact CB-CG2 4.15Å; T475-V479 WeakPolarHBondContact O-CG2 3.34Å; T475-V479 PolarHBondContact O-N 3.35Å; R477-V479 VanDerWaalsContact C-N 3.28Å; R477-V479 PolarHBondContact O-N 3.32Å; V479-R483 PolarHBondContact O-N 3.04Å
480Y88.4Confident83Confident45 Ų4556.3 Ų56.318%0.17632%0.318CS..Hα-helixtrans-68.7-43.1174.5177-99.3000112Y340 F464 C476 R477 F482 R483 V484Y340-Y480 AromaticContact CD2-CD2 3.56Å; Y340-Y480 HydrophobicContact CD2-CD2 3.56Å; Y340-Y480 AromaticContact CD2-CE2 3.96Å; Y340-Y480 HydrophobicContact CD2-CE2 3.96Å; Y340-Y480 AromaticContact CD2-CG 3.97Å; Y340-Y480 HydrophobicContact CD2-CG 3.97Å; Y340-Y480 HydrophobicContact CE2-CD2 4.33Å; Y340-Y480 HydrophobicContact CG-CD2 4.23Å; Y340-Y480 HydrophobicContact CG-CG 4.23Å; F464-Y480 AromaticContact CD2-CD2 3.76Å; F464-Y480 HydrophobicContact CD2-CD2 3.76Å; F464-Y480 AromaticContact CE2-CD2 3.69Å; F464-Y480 HydrophobicContact CE2-CD2 3.69Å; F464-Y480 HydrophobicContact CE2-CE2 4.23Å; F464-Y480 HydrophobicContact CG-CD2 4.49Å; F464-Y480 HydrophobicContact CZ-CD2 4.37Å; C476-Y480 PolarHBondContact O-N 2.86Å; R477-Y480 WeakPolarHBondContact O-CB 3.5Å; R477-Y480 PolarHBondContact O-N 3.27Å; Y480-F482 VanDerWaalsContact C-N 3.32Å; Y480-F482 PolarHBondContact O-N 3.43Å; Y480-R483 WeakPolarHBondContact O-CB 3.33Å; Y480-R483 PolarHBondContact O-N 3.44Å; Y480-R483 VanDerWaalsContact O-N 3.13Å; Y480-V484 HydrophobicContact CD1-CG2 4.42Å; Y480-V484 HydrophobicContact CE1-CG2 4.02Å; Y480-V484 WeakPolarHBondContact O-CG2 3.18Å; Y480-V484 PolarHBondContact O-N 2.83Å
481E88.2Confident80.5Confident48 Ų4856.5 Ų56.522%0.22433%0.332CS..Hα-helixtrans-62.4-38.4176.5-69.4168.7-17700111.8R477 Q478 V484 K485R477-E481 HydrophobicContact CG-CG 4.45Å; R477-E481 WeakPolarHBondContact CG-OE1 3.37Å; R477-E481 IonicContact CZ-OE1 3.92Å; R477-E481 IonicContact NE-OE1 3.22Å; R477-E481 PolarHBondContact NE-OE1 2.93Å; R477-E481 IonicContact NH2-OE1 2.73Å; R477-E481 WeakPolarHBondContact O-CG 3.39Å; R477-E481 PolarHBondContact O-N 3.42Å; Q478-E481 PolarHBondContact O-N 3.26Å; E481-V484 PolarHBondContact O-N 3.17Å; E481-K485 WeakPolarHBondContact O-CG 3.34Å; E481-K485 PolarHBondContact O-N 3.03Å
482F88.8Confident78Confident24 Ų2465.9 Ų65.911%0.10537%0.366CS..Hα-helixtrans-68.2-37172.6-167.9-102.8000112.5W445 A450 F453 Q478 Y480 V484 K485 E486W445-F482 HydrophobicContact CB-CD2 4.49Å; W445-F482 HydrophobicContact CB-CE2 3.97Å; W445-F482 AromaticContact CD1-CD2 3.62Å; W445-F482 AromaticContact CD1-CE2 3.95Å; W445-F482 HydrophobicContact CD2-CB 4.41Å; W445-F482 HydrophobicContact CD2-CD1 4.21Å; W445-F482 AromaticContact CD2-CD2 3.53Å; W445-F482 HydrophobicContact CD2-CD2 3.53Å; W445-F482 HydrophobicContact CD2-CE1 4.38Å; W445-F482 AromaticContact CD2-CE2 3.74Å; W445-F482 HydrophobicContact CD2-CE2 3.74Å; W445-F482 AromaticContact CD2-CG 3.79Å; W445-F482 HydrophobicContact CD2-CG 3.79Å; W445-F482 HydrophobicContact CD2-CZ 4.17Å; W445-F482 AromaticContact CE2-CD2 3.5Å; W445-F482 AromaticContact CE2-CG 3.54Å; W445-F482 HydrophobicContact CE3-CD1 4.07Å; W445-F482 HydrophobicContact CE3-CD2 4.19Å; W445-F482 HydrophobicContact CE3-CE1 4.09Å; W445-F482 HydrophobicContact CE3-CE2 4.21Å; W445-F482 HydrophobicContact CE3-CG 4.12Å; W445-F482 HydrophobicContact CE3-CZ 4.16Å; W445-F482 AromaticContact CG-CD2 3.64Å; W445-F482 HydrophobicContact CG-CD2 3.64Å; W445-F482 AromaticContact CG-CE2 3.6Å; W445-F482 HydrophobicContact CG-CE2 3.6Å; W445-F482 HydrophobicContact CG-CG 4.39Å; W445-F482 HydrophobicContact CG-CZ 4.31Å; W445-F482 HydrophobicContact CH2-CB 3.96Å; W445-F482 HydrophobicContact CH2-CD1 4.08Å; W445-F482 HydrophobicContact CH2-CG 4.01Å; W445-F482 HydrophobicContact CZ2-CB 3.4Å; W445-F482 VanDerWaalsContact CZ2-CB 3.4Å; W445-F482 HydrophobicContact CZ2-CD1 4.22Å; W445-F482 HydrophobicContact CZ2-CD2 4.14Å; W445-F482 AromaticContact CZ2-CG 3.68Å; W445-F482 HydrophobicContact CZ2-CG 3.68Å; W445-F482 HydrophobicContact CZ3-CD1 4.01Å; W445-F482 HydrophobicContact CZ3-CE1 4.33Å; W445-F482 HydrophobicContact CZ3-CG 4.23Å; W445-F482 AromaticContact NE1-CD2 3.54Å; W445-F482 AromaticContact NE1-CG 3.98Å; A450-F482 HydrophobicContact CB-CE1 4.42Å; A450-F482 HydrophobicContact CB-CZ 3.93Å; F453-F482 HydrophobicContact CB-CD1 4.43Å; F453-F482 HydrophobicContact CB-CE1 4.34Å; F453-F482 AromaticContact CD1-CD1 3.5Å; F453-F482 HydrophobicContact CD1-CD1 3.5Å; F453-F482 VanDerWaalsContact CD1-CD1 3.5Å; F453-F482 AromaticContact CD1-CE1 3.47Å; F453-F482 HydrophobicContact CD1-CE1 3.47Å; F453-F482 VanDerWaalsContact CD1-CE1 3.47Å; F453-F482 HydrophobicContact CD2-CD1 4.03Å; F453-F482 AromaticContact CE1-CD1 3.61Å; F453-F482 HydrophobicContact CE1-CD1 3.61Å; F453-F482 AromaticContact CE1-CE1 3.88Å; F453-F482 HydrophobicContact CE1-CE1 3.88Å; F453-F482 HydrophobicContact CE2-CD1 4.13Å; F453-F482 AromaticContact CG-CD1 3.72Å; F453-F482 HydrophobicContact CG-CD1 3.72Å; F453-F482 AromaticContact CG-CE1 3.93Å; F453-F482 HydrophobicContact CG-CE1 3.93Å; F453-F482 AromaticContact CZ-CD1 3.94Å; F453-F482 HydrophobicContact CZ-CD1 3.94Å; Q478-F482 WeakPolarHBondContact O-CB 3.32Å; Q478-F482 PolarHBondContact O-N 3.47Å; Y480-F482 VanDerWaalsContact C-N 3.32Å; Y480-F482 PolarHBondContact O-N 3.43Å; F482-V484 VanDerWaalsContact C-N 3.34Å; F482-V484 PolarHBondContact O-N 2.9Å; F482-K485 PolarHBondContact O-N 3.08Å; F482-E486 HydrophobicContact CD1-CG 4.14Å; F482-E486 HydrophobicContact CE1-CG 3.74Å; F482-E486 HydrophobicContact CZ-CG 4.09Å; F482-E486 PolarHBondContact O-N 3.44Å
483R87.4Confident75.3Confident75 Ų7566.9 Ų66.928%0.28337%0.369SS..Hα-helixtrans-59.2-42.9171.3178.461.9170.5143-0.5112.3F453 D462 F464 V479 Y480 S487F453-R483 HydrophobicContact CE2-CB 4.25Å; F453-R483 HydrophobicContact CZ-CB 3.78Å; F453-R483 HydrophobicContact CZ-CG 4.46Å; D462-R483 IonicContact OD1-NE 3.7Å; D462-R483 IonicContact OD1-NH2 2.72Å; F464-R483 HydrophobicContact CE1-CB 3.93Å; F464-R483 HydrophobicContact CE1-CG 3.66Å; F464-R483 HydrophobicContact CZ-CB 4.37Å; F464-R483 HydrophobicContact CZ-CG 3.8Å; V479-R483 PolarHBondContact O-N 3.04Å; Y480-R483 WeakPolarHBondContact O-CB 3.33Å; Y480-R483 PolarHBondContact O-N 3.44Å; Y480-R483 VanDerWaalsContact O-N 3.13Å; R483-S487 WeakPolarHBondContact O-CB 3.16Å; R483-S487 PolarHBondContact O-N 3.35Å; R483-S487 PolarHBondContact O-OG 3.1Å
484V86Confident72.5Confident72 Ų7268.5 Ų68.544%0.43638%0.38SS..Hα-helixtrans-63-47.8175.8174.20000110.1Y480 E481 F482 E486 S487 A488Y480-V484 HydrophobicContact CD1-CG2 4.42Å; Y480-V484 HydrophobicContact CE1-CG2 4.02Å; Y480-V484 WeakPolarHBondContact O-CG2 3.18Å; Y480-V484 PolarHBondContact O-N 2.83Å; E481-V484 PolarHBondContact O-N 3.17Å; F482-V484 VanDerWaalsContact C-N 3.34Å; F482-V484 PolarHBondContact O-N 2.9Å; V484-E486 PolarHBondContact O-N 3.27Å; V484-S487 PolarHBondContact O-N 3.19Å; V484-S487 PolarHBondContact O-OG 3.24Å; V484-A488 PolarHBondContact O-N 3.06Å
485K84.1Confident69.9Low101 Ų10170.4 Ų70.444%0.43940%0.4SS..Hα-helixtrans-56.7-50.1176.1-70.9170.4-179176.40112.4E481 F482 S487 A488 I489E481-K485 WeakPolarHBondContact O-CG 3.34Å; E481-K485 PolarHBondContact O-N 3.03Å; F482-K485 PolarHBondContact O-N 3.08Å; K485-S487 VanDerWaalsContact C-N 3.32Å; K485-S487 PolarHBondContact O-N 2.98Å; K485-A488 PolarHBondContact O-N 3.12Å; K485-I489 WeakPolarHBondContact O-CD1 3.46Å; K485-I489 WeakPolarHBondContact O-CG1 3.16Å
486E78.9Confident67.5Low10 Ų1075.2 Ų75.25%0.04742%0.419CS..Hα-helixtrans-63.4-35.1176.9-75.6-126.9123.100113F453 R454 F482 V484 A488 I489 I490F453-E486 HydrophobicContact CE1-CG 4.2Å; R454-E486 WeakPolarHBondContact CG-OE2 3.45Å; R454-E486 IonicContact CZ-OE1 2.67Å; R454-E486 IonicContact NE-OE1 2.71Å; R454-E486 PolarHBondContact NE-OE1 3.1Å; R454-E486 IonicContact NE-OE2 2.75Å; R454-E486 PolarHBondContact NE-OE2 3.03Å; R454-E486 IonicContact NH2-OE1 2.86Å; R454-E486 PolarHBondContact NH2-OE1 3.5Å; F482-E486 HydrophobicContact CD1-CG 4.14Å; F482-E486 HydrophobicContact CE1-CG 3.74Å; F482-E486 HydrophobicContact CZ-CG 4.09Å; F482-E486 PolarHBondContact O-N 3.44Å; V484-E486 PolarHBondContact O-N 3.27Å; E486-A488 PolarHBondContact O-N 2.93Å; E486-I489 PolarHBondContact O-N 2.86Å; E486-I490 HydrophobicContact CB-CD1 4.44Å; E486-I490 PolarHBondContact O-N 3.48Å
487S71.8Confident64.9Low75 Ų7580.5 Ų80.552%0.52445%0.447SS..Hα-helixtrans-67-18.1-179.875.20000114.3R483 V484 K485R483-S487 WeakPolarHBondContact O-CB 3.16Å; R483-S487 PolarHBondContact O-N 3.35Å; R483-S487 PolarHBondContact O-OG 3.1Å; V484-S487 PolarHBondContact O-N 3.19Å; V484-S487 PolarHBondContact O-OG 3.24Å; K485-S487 VanDerWaalsContact C-N 3.32Å; K485-S487 PolarHBondContact O-N 2.98Å
488A59.1Low62.5Low90 Ų9086.3 Ų86.374%0.74448%0.477SS*.THydrogen-bonded Turntrans-87.5-13.8171.900000113.5V484 K485 E486V484-A488 PolarHBondContact O-N 3.06Å; K485-A488 PolarHBondContact O-N 3.12Å; E486-A488 PolarHBondContact O-N 2.93Å
489I61.8Low59.8Low137 Ų13791.7 Ų91.770%0.70351%0.506SS*.THydrogen-bonded Turntrans-107.4-34.4-172-65.5166.5000112K485 E486K485-I489 WeakPolarHBondContact O-CD1 3.46Å; K485-I489 WeakPolarHBondContact O-CG1 3.16Å; E486-I489 PolarHBondContact O-N 2.86Å
490I45.7Very low57.1Low72 Ų7297 Ų9737%0.36954%0.539SS..SBendtrans-101.1128.1-171.6-59.6179.7000111.8E486E486-I490 HydrophobicContact CB-CD1 4.44Å; E486-I490 PolarHBondContact O-N 3.48Å
491A40.1Very low54.4Low92 Ų92100 Ų10076%0.7656%0.564SS**PPolyproline II helixtrans-62.6145.1176.900000112.8A493A491-A493 PolarHBondContact O-N 2.83Å
492R38.4Very low51.8Low211 Ų211103.3 Ų103.380%0.79659%0.59SS**PPolyproline II helixtrans-62.3118-176.2-64.6-179.8178.7-165.9-3.4111.5
493A35.2Very low49.2Very low87 Ų87112 Ų11272%0.71962%0.622SS**PPolyproline II helixtrans-60.3146.6167.300000111.1A491A491-A493 PolarHBondContact O-N 2.83Å
494P30.9Very low46.6Very low126 Ų126117.6 Ų117.682%0.81865%0.648SS**PPolyproline II helixtrans-63.3142.9179.126.6-34.4000111.4
495A36Very low44.7Very low63 Ų63124 Ų12452%0.52167%0.67SS.*PPolyproline II helixtrans-76.7139.2174.300000110.8
496E40Very low42.7Very low155 Ų155129.2 Ų129.272%0.72469%0.693SS**PPolyproline II helixtrans-89.9134.6161.9-65.9-167.5156.800109E498E496-E498 PolarHBondContact O-N 3.39Å
497D34.8Very low41.1Very low117 Ų117138 Ų13863%0.62673%0.726SS**PPolyproline II helixtrans-72.3125.4179.6-50.4-74.5000111.1D499 R540D497-D499 PolarHBondContact O-N 3.2Å; D497-R540 IonicContact OD2-CZ 3.18Å; D497-R540 IonicContact OD2-NH1 2.96Å; D497-R540 PolarHBondContact OD2-NH1 2.99Å; D497-R540 IonicContact OD2-NH2 3.7Å; D497-R540 PolarHBondContact OD2-NH2 3.09Å
498E38.2Very low39.6Very low176 Ų176144 Ų14482%0.82274%0.742SS**  trans-74.3109.8163.7-84.4-97.4109.100109.7E496E496-E498 PolarHBondContact O-N 3.39Å
499D32.9Very low38.9Very low149 Ų149144.9 Ų144.980%0.79773%0.731SS**  trans-157.699149.2-140.1-23.2000112.8D497D497-D499 PolarHBondContact O-N 3.2Å
500T32Very low38.2Very low111 Ų111149.6 Ų149.668%0.68174%0.74SS**  trans-156.8127.8158.2-45.40000109.8
501P32.1Very low38.5Very low109 Ų109152.4 Ų152.471%0.70876%0.755SS**  trans-67161.9-170.2-25.235.3000116.6
502P34.7Very low39.2Very low118 Ų118150.3 Ų150.377%0.76673%0.727SS**  trans-61.4144.8-178.4-2534.8000115.4K504P502-K504 PolarHBondContact O-N 2.84Å
503R32.7Very low39.9Very low206 Ų206142.6 Ų142.678%0.77771%0.709SS**  trans-57.790.3179.9-78.7176.8157.3-177.7-5.8114K505R503-K505 PolarHBondContact O-N 3.32Å
504K33.4Very low40.7Very low193 Ų193142.6 Ų142.684%0.83970%0.7SS**  trans-79.997.8171.2-72.6-176179177.40111.8P502 K506P502-K504 PolarHBondContact O-N 2.84Å; K504-K506 PolarHBondContact O-N 3.21Å
505K46.6Very low41.9Very low205 Ų205140.1 Ų140.189%0.89168%0.678SS**  trans-64.191.1173.9-74.9-178.4178.3173.40112.5R503R503-K505 PolarHBondContact O-N 3.32Å
506K42.3Very low42.9Very low212 Ų212137.4 Ų137.492%0.92265%0.654SS**  trans176.7120.1144.7-98.5154.2-174.7176.70112.4K504K504-K506 PolarHBondContact O-N 3.21Å
507R44Very low43.7Very low195 Ų195136.8 Ų136.874%0.73665%0.645SS**  trans-134.7140.9160.4-175.8169.5167.1-164.9-8109.4H509R507-H509 PolarHBondContact O-N 3.45Å
508K39.9Very low44.5Very low199 Ų199138.3 Ų138.387%0.86565%0.647SS**  trans-73.4124.3-171.7-70.9179.8177.51760111.6R510K508-R510 VanDerWaalsContact C-N 3.34Å; K508-R510 PolarHBondContact O-N 2.84Å
509H46Very low45.3Very low110 Ų110132.6 Ų132.651%0.50962%0.621SS.*G310 helixtrans-70.4-17.4-168.7-168.3-109.7000115.7R507 L511 W512R507-H509 PolarHBondContact O-N 3.45Å; H509-L511 PolarHBondContact O-N 3.46Å; H509-W512 PolarHBondContact O-N 2.83Å
510R45.9Very low46.2Very low235 Ų235128 Ų12889%0.88760%0.595SS**G310 helixtrans-64.2-16.7-165.6-158.9174.3-175.1-177.71.7115.2K508K508-R510 VanDerWaalsContact C-N 3.34Å; K508-R510 PolarHBondContact O-N 2.84Å
511L53.4Low46.9Very low132 Ų132128.8 Ų128.869%0.69159%0.594SS**G310 helixtrans-88.7-24.1-179.1-66.3170.7000114.2H509 T514 H515H509-L511 PolarHBondContact O-N 3.46Å; L511-T514 WeakPolarHBondContact O-CB 3.26Å; L511-T514 PolarHBondContact O-N 2.96Å; L511-H515 PolarHBondContact O-N 3.3Å
512W53.1Low47.7Very low47 Ų47131.2 Ų131.218%0.17859%0.594CS.*Hα-helixtrans-72.8-35.9-170.5-171.3-102000113.5H509 T514 H515 C516 F555 Q567 P571H509-W512 PolarHBondContact O-N 2.83Å; W512-T514 PolarHBondContact O-N 3Å; W512-T514 VanDerWaalsContact O-N 3.15Å; W512-H515 HydrophobicContact CD2-CB 4.38Å; W512-H515 HydrophobicContact CE3-CB 4.02Å; W512-H515 AromaticContact CE3-ND1 3.52Å; W512-H515 AromaticContact CH2-CE1 3.84Å; W512-H515 AromaticContact CH2-ND1 3.32Å; W512-H515 VanDerWaalsContact CH2-ND1 3.32Å; W512-H515 WeakPolarHBondContact CH2-ND1 3.33Å; W512-H515 HydrophobicContact CZ3-CB 4.42Å; W512-H515 AromaticContact CZ3-CE1 3.63Å; W512-H515 AromaticContact CZ3-CG 3.95Å; W512-H515 AromaticContact CZ3-ND1 3.03Å; W512-H515 WeakPolarHBondContact CZ3-ND1 3.45Å; W512-H515 WeakPolarHBondContact O-CA 3.4Å; W512-H515 WeakPolarHBondContact O-CB 3.03Å; W512-H515 PolarHBondContact O-N 3.17Å; W512-C516 PolarHBondContact NE1-SG 3.36Å; W512-C516 PolarHBondContact O-N 2.61Å; W512-F555 HydrophobicContact CZ2-CE1 4.46Å; W512-Q567 WeakPolarHBondContact CH2-O 3.43Å; W512-P571 HydrophobicContact CD2-CG 4.24Å; W512-P571 HydrophobicContact CG-CG 4.3Å; W512-P571 HydrophobicContact CZ2-CG 4.14Å; W512-P571 VanDerWaalsContact NE1-CG 3.27Å
513A53.6Low48.3Very low50 Ų50128.9 Ų128.941%0.41357%0.572SS.*Hα-helixtrans-66.5-12.9173.500000113.6R517A513-R517 PolarHBondContact O-NE 3.37Å; A513-R517 PolarHBondContact O-NH2 2.91Å
514T51.2Low48.9Very low87 Ų87124.7 Ų124.753%0.53457%0.565SS.*Hα-helixtrans-91.4-36.2168.9-44.50000110.6L511 W512 R517 K518L511-T514 WeakPolarHBondContact O-CB 3.26Å; L511-T514 PolarHBondContact O-N 2.96Å; W512-T514 PolarHBondContact O-N 3Å; W512-T514 VanDerWaalsContact O-N 3.15Å; T514-R517 PolarHBondContact O-N 3.11Å; T514-K518 WeakPolarHBondContact O-CB 3.32Å; T514-K518 PolarHBondContact O-N 2.99Å
515H57.8Low49.1Very low74 Ų74119 Ų11934%0.34356%0.56SS.*Hα-helixtrans-63.8-48.8175.4-169.5-117.1000112.8L511 W512 R517 K518 I519L511-H515 PolarHBondContact O-N 3.3Å; W512-H515 HydrophobicContact CD2-CB 4.38Å; W512-H515 HydrophobicContact CE3-CB 4.02Å; W512-H515 AromaticContact CE3-ND1 3.52Å; W512-H515 AromaticContact CH2-CE1 3.84Å; W512-H515 AromaticContact CH2-ND1 3.32Å; W512-H515 VanDerWaalsContact CH2-ND1 3.32Å; W512-H515 WeakPolarHBondContact CH2-ND1 3.33Å; W512-H515 HydrophobicContact CZ3-CB 4.42Å; W512-H515 AromaticContact CZ3-CE1 3.63Å; W512-H515 AromaticContact CZ3-CG 3.95Å; W512-H515 AromaticContact CZ3-ND1 3.03Å; W512-H515 WeakPolarHBondContact CZ3-ND1 3.45Å; W512-H515 WeakPolarHBondContact O-CA 3.4Å; W512-H515 WeakPolarHBondContact O-CB 3.03Å; W512-H515 PolarHBondContact O-N 3.17Å; H515-R517 VanDerWaalsContact C-N 3.3Å; H515-R517 PolarHBondContact O-N 3.18Å; H515-K518 PolarHBondContact O-N 3.09Å; H515-I519 VanDerWaalsContact CE1-CD1 3.45Å; H515-I519 WeakPolarHBondContact CE1-CD1 3.47Å; H515-I519 PolarHBondContact O-N 2.85Å
516C55.9Low48.7Very low5 Ų5112 Ų1123%0.03454%0.537CS..Hα-helixtrans-56.6-44173.6-71.80000111.7W512 K518 I519 Q520W512-C516 PolarHBondContact NE1-SG 3.36Å; W512-C516 PolarHBondContact O-N 2.61Å; C516-K518 PolarHBondContact O-N 3.22Å; C516-I519 PolarHBondContact O-N 3.21Å; C516-Q520 WeakPolarHBondContact O-CB 3.42Å; C516-Q520 PolarHBondContact O-N 3.43Å
517R56.7Low48.9Very low142 Ų142105.5 Ų105.554%0.53652%0.519SS..Hα-helixtrans-62.8-39174.3-86.7-177.3-83.6-164.5-7112.5A513 T514 H515 Q520 L521 L588A513-R517 PolarHBondContact O-NE 3.37Å; A513-R517 PolarHBondContact O-NH2 2.91Å; T514-R517 PolarHBondContact O-N 3.11Å; H515-R517 VanDerWaalsContact C-N 3.3Å; H515-R517 PolarHBondContact O-N 3.18Å; R517-Q520 PolarHBondContact O-N 2.73Å; R517-L521 WeakPolarHBondContact O-CB 3.46Å; R517-L521 WeakPolarHBondContact O-CD1 3.46Å; R517-L521 WeakPolarHBondContact O-CG 3.41Å; R517-L521 PolarHBondContact O-N 2.94Å; R517-L588 HydrophobicContact CG-CD2 4.36Å
518K51.9Low49.5Very low149 Ų149103.9 Ų103.965%0.64853%0.525SS*.Hα-helixtrans-70.3-28.1177.6-165.7173.6-175.5178.90113.5T514 H515 C516 K522T514-K518 WeakPolarHBondContact O-CB 3.32Å; T514-K518 PolarHBondContact O-N 2.99Å; H515-K518 PolarHBondContact O-N 3.09Å; C516-K518 PolarHBondContact O-N 3.22Å; K518-K522 PolarHBondContact O-N 3.23Å
519I54.5Low51Low57 Ų5798.9 Ų98.929%0.29250%0.504SS..Hα-helixtrans-75.9-45.5170.7-71.4175.6000110.4H515 C516 K522 K523 F555H515-I519 VanDerWaalsContact CE1-CD1 3.45Å; H515-I519 WeakPolarHBondContact CE1-CD1 3.47Å; H515-I519 PolarHBondContact O-N 2.85Å; C516-I519 PolarHBondContact O-N 3.21Å; I519-K522 WeakPolarHBondContact O-CA 3.47Å; I519-K522 WeakPolarHBondContact O-CB 3.32Å; I519-K522 PolarHBondContact O-N 3.11Å; I519-K523 PolarHBondContact O-N 2.74Å; I519-F555 HydrophobicContact CD1-CE1 3.93Å; I519-F555 HydrophobicContact CD1-CZ 4.32Å; I519-F555 HydrophobicContact CG2-CZ 4.23Å
520Q53.1Low52.9Low53 Ų5395.7 Ų95.725%0.24849%0.492CS..Hα-helixtrans-67-42.5-178.2-157.2157.5-1.100111.5C516 R517 K522 K523 D524 L588C516-Q520 WeakPolarHBondContact O-CB 3.42Å; C516-Q520 PolarHBondContact O-N 3.43Å; R517-Q520 PolarHBondContact O-N 2.73Å; Q520-K522 PolarHBondContact O-N 2.85Å; Q520-K522 VanDerWaalsContact O-N 3.15Å; Q520-K523 CarbonylContact O-C 3.23Å; Q520-K523 WeakPolarHBondContact O-CA 3.24Å; Q520-K523 WeakPolarHBondContact O-CB 3.47Å; Q520-K523 PolarHBondContact O-N 3.45Å; Q520-D524 PolarHBondContact O-N 3.5Å; Q520-L588 PolarHBondContact NE2-O 2.96Å; Q520-L588 PolarHBondContact OE1-O 3.33Å
521L45.4Very low55.1Low126 Ų12689.1 Ų89.166%0.6647%0.468SS*.Hα-helixtrans-64.7-14.3170.6-69.5167.7000114.3R517R517-L521 WeakPolarHBondContact O-CB 3.46Å; R517-L521 WeakPolarHBondContact O-CD1 3.46Å; R517-L521 WeakPolarHBondContact O-CG 3.41Å; R517-L521 PolarHBondContact O-N 2.94Å
522K48.8Very low57Low161 Ų16184.5 Ų84.570%0.744%0.444SS*.Hα-helixtrans-84.2-37.4166.4-90.6-167.7166.7-157.60111.6K518 I519 Q520 G525K518-K522 PolarHBondContact O-N 3.23Å; I519-K522 WeakPolarHBondContact O-CA 3.47Å; I519-K522 WeakPolarHBondContact O-CB 3.32Å; I519-K522 PolarHBondContact O-N 3.11Å; Q520-K522 PolarHBondContact O-N 2.85Å; Q520-K522 VanDerWaalsContact O-N 3.15Å; K522-G525 PolarHBondContact O-N 2.87Å
523K48.7Very low58.9Low69 Ų6982.3 Ų82.330%0.344%0.436SS..Hα-helixtrans-66.8-39176.6-173.9161.8-174.8160.80111.7I519 Q520 G525 S526I519-K523 PolarHBondContact O-N 2.74Å; Q520-K523 CarbonylContact O-C 3.23Å; Q520-K523 WeakPolarHBondContact O-CA 3.24Å; Q520-K523 WeakPolarHBondContact O-CB 3.47Å; Q520-K523 PolarHBondContact O-N 3.45Å; K523-G525 PolarHBondContact O-N 2.77Å; K523-G525 VanDerWaalsContact O-N 3.08Å; K523-S526 PolarHBondContact O-N 3.27Å; K523-S526 VanDerWaalsContact O-N 3.16Å
524D45.4Very low60.9Low118 Ų11884.6 Ų84.663%0.63144%0.438SS*.THydrogen-bonded Turntrans-63.4-11.8175.8-56.7-29.2000113.5Q520Q520-D524 PolarHBondContact O-N 3.5Å
525G35.6Very low63Low72 Ų7282.5 Ų82.574%0.74243%0.426SS*.THydrogen-bonded Turntrans-111.511.6178.400000114.7K522 K523K522-G525 PolarHBondContact O-N 2.87Å; K523-G525 PolarHBondContact O-N 2.77Å; K523-G525 VanDerWaalsContact O-N 3.08Å
526S39.3Very low64.7Low59 Ų5979.1 Ų79.141%0.41341%0.41SS..SBendtrans-123163173.3-161.60000109.4K523K523-S526 PolarHBondContact O-N 3.27Å; K523-S526 VanDerWaalsContact O-N 3.16Å
527S46Very low66.5Low76 Ų7681 Ų8153%0.53142%0.42SS..  trans-60.2147.4177.843.20000111H529S527-H529 WeakPolarHBondContact CB-ND1 3.48Å; S527-H529 PolarHBondContact O-N 3.48Å; S527-H529 PolarHBondContact OG-CE1 2.87Å; S527-H529 PolarHBondContact OG-ND1 3.02Å
528N57Low68.1Low161 Ų16175.9 Ų75.986%0.86140%0.402SS*.  trans-64.315.8-166.4-82-55.9000116.6V530N528-V530 PolarHBondContact O-N 3.2Å
529H72.4Confident69.9Low93 Ų9372.9 Ų72.943%0.43140%0.398SS..  trans-57.2122.3179.6-67111.9000112S527 Y531 N684S527-H529 WeakPolarHBondContact CB-ND1 3.48Å; S527-H529 PolarHBondContact O-N 3.48Å; S527-H529 PolarHBondContact OG-CE1 2.87Å; S527-H529 PolarHBondContact OG-ND1 3.02Å; H529-Y531 HydrophobicContact CB-CE2 4.05Å; H529-N684 WeakPolarHBondContact CA-OD1 3.33Å; H529-N684 VanDerWaalsContact CB-ND2 3.35Å; H529-N684 WeakPolarHBondContact CB-ND2 3.23Å
530V85.3Confident71.3Confident43 Ų4379.5 Ų79.526%0.26142%0.419SS..  trans-123.5116.2172.5-174.50000107.3N528 N683 N684N528-V530 PolarHBondContact O-N 3.2Å; V530-N683 WeakPolarHBondContact O-CB 3.49Å; V530-N684 PolarHBondContact N-ND2 3.01Å; V530-N684 PolarHBondContact N-OD1 3.36Å; V530-N684 WeakPolarHBondContact O-CB 3.15Å; V530-N684 PolarHBondContact O-N 3.44Å; V530-N684 PolarHBondContact O-OD1 3.19Å
531Y91Very high73.1Confident97 Ų9782.7 Ų82.738%0.3843%0.434SS..PPolyproline II helixtrans-93.9152.6176.4-62-81.6000110.4H529 N554 N684 D685 H719H529-Y531 HydrophobicContact CB-CE2 4.05Å; Y531-N554 PolarHBondContact O-ND2 3.12Å; Y531-N684 HydrophobicContact CD1-CB 4.07Å; Y531-N684 WeakPolarHBondContact CD1-ND2 3.26Å; Y531-N684 HydrophobicContact CE1-CB 4.14Å; Y531-N684 WeakPolarHBondContact CE1-ND2 3.32Å; Y531-D685 WeakPolarHBondContact CD1-OD1 3.44Å; Y531-H719 PolarHBondContact O-CE1 3.06Å
532N93.5Very high75.3Confident35 Ų3580.4 Ų80.419%0.18743%0.427CS..PPolyproline II helixtrans-66.2155.6178.8-163.822.2000112N554 D685 F686 H719N532-N554 PolarHBondContact O-ND2 3.32Å; N532-D685 HydrophobicContact CB-CB 4.5Å; N532-D685 VanDerWaalsContact CB-OD2 3.28Å; N532-D685 WeakPolarHBondContact CB-OD2 3.41Å; N532-D685 PolarHBondContact N-OD2 3.4Å; N532-F686 HydrophobicContact CB-CD2 4.02Å; N532-F686 HydrophobicContact CB-CE2 3.99Å; N532-F686 VanDerWaalsContact ND2-CE2 3.32Å; N532-F686 WeakPolarHBondContact ND2-CE2 3.35Å; N532-H719 PolarHBondContact OD1-ND1 2.94Å
533Y94.8Very high77.5Confident1 Ų174 Ų740%0.00440%0.402CS..PPolyproline II helixtrans-88.8119.9179.2166.7-97.2000112R303 P535 E557 F559 C560 G717R303-Y533 PolarHBondContact NH1-O 3.35Å; Y533-P535 HydrophobicContact CE1-CG 4.08Å; Y533-P535 WeakPolarHBondContact OH-CA 3.39Å; Y533-E557 HydrophobicContact CD1-CG 4.05Å; Y533-E557 HydrophobicContact CD2-CG 3.92Å; Y533-E557 HydrophobicContact CE1-CB 3.95Å; Y533-E557 HydrophobicContact CE1-CG 3.75Å; Y533-E557 HydrophobicContact CE2-CB 4.03Å; Y533-E557 HydrophobicContact CE2-CG 3.62Å; Y533-E557 HydrophobicContact CG-CG 4.14Å; Y533-E557 WeakPolarHBondContact OH-CB 3.24Å; Y533-F559 AromaticContact CE1-CD2 3.92Å; Y533-F559 HydrophobicContact CE1-CD2 3.92Å; Y533-C560 PolarHBondContact OH-SG 3.42Å; Y533-G717 WeakPolarHBondContact CB-O 3.4Å; Y533-G717 WeakPolarHBondContact CD1-O 3.36Å
534Q94Very high79.5Confident99 Ų9974 Ų7446%0.46341%0.405SS..  trans-114.8140.4167.2-64.7-179.6-6.200110.3F314 C536 C549F314-Q534 VanDerWaalsContact CE2-NE2 3.3Å; Q534-C536 PolarHBondContact O-N 3.1Å; Q534-C549 PolarHBondContact O-SG 3.19Å
535P95.1Very high81.7Confident42 Ų4273.4 Ų73.427%0.27341%0.41SS..  trans-68.8127.6175.5-1731.1000112.4Y533 F559Y533-P535 HydrophobicContact CE1-CG 4.08Å; Y533-P535 WeakPolarHBondContact OH-CA 3.39Å; P535-F559 HydrophobicContact CB-CB 4.13Å; P535-F559 HydrophobicContact CG-CB 3.88Å
536C93.8Very high84.4Confident3 Ų374 Ų742%0.0240%0.403CS..  trans-80.4139.9173.165.70000112.3Q534 C549 C560 Q561Q534-C536 PolarHBondContact O-N 3.1Å; C536-C549 VanDerWaalsContact SG-SG 3.62Å; C536-C560 PolarHBondContact N-SG 3.01Å; C536-C560 WeakPolarHBondContact O-CA 3.04Å; C536-C560 VanDerWaalsContact SG-SG 3.68Å; C536-Q561 PolarHBondContact O-N 3.36Å
537D93.5Very high87.1Confident44 Ų4471.1 Ų71.124%0.23538%0.383CS..  trans-136.7109.1172.7-168.2-11.5000108.2T317 N319 Q561T317-D537 WeakPolarHBondContact CB-OD2 3.35Å; T317-D537 HydrophobicContact CG2-CB 3.97Å; T317-D537 PolarHBondContact OG1-OD2 3.48Å; N319-D537 WeakPolarHBondContact CB-OD2 3.25Å; N319-D537 VanDerWaalsContact ND2-CG 3.32Å; N319-D537 PolarHBondContact ND2-OD1 3.19Å; N319-D537 PolarHBondContact ND2-OD2 2.99Å; D537-Q561 HydrophobicContact CB-CB 4.2Å; D537-Q561 HydrophobicContact CB-CG 4.32Å
538H91Very high89.3Confident35 Ų3571.1 Ų71.116%0.16238%0.381CS..  trans-14483.2-179.447.471.7000109Q541 P542 C543 C547H538-Q541 HydrophobicContact CB-CB 4.42Å; H538-Q541 PolarHBondContact CE1-O 2.75Å; H538-Q541 PolarHBondContact ND1-O 2.89Å; H538-Q541 PolarHBondContact O-N 3.26Å; H538-P542 PolarHBondContact CE1-O 3.37Å; H538-P542 VanDerWaalsContact CE1-O 3.26Å; H538-C543 PolarHBondContact CE1-SG 3.01Å; H538-C543 PolarHBondContact NE2-SG 3.25Å; H538-C547 PolarHBondContact NE2-SG 2.86Å; H538-C547 VanDerWaalsContact NE2-SG 3.41Å
539P88.9Confident91.1Very high87 Ų8763.6 Ų63.657%0.56534%0.341SS*.THydrogen-bonded Turntrans-54.6139.6-171-30.537.9000113.9N319 Q541N319-P539 WeakPolarHBondContact ND2-CG 3.4Å; P539-Q541 PolarHBondContact O-N 2.8Å
540R85.4Confident92Very high195 Ų19561.4 Ų61.474%0.73634%0.335SS*.THydrogen-bonded Turntrans60-1.4-177.1-53-172.3-176.8-1522.7116.2D497D497-R540 IonicContact OD2-CZ 3.18Å; D497-R540 IonicContact OD2-NH1 2.96Å; D497-R540 PolarHBondContact OD2-NH1 2.99Å; D497-R540 IonicContact OD2-NH2 3.7Å; D497-R540 PolarHBondContact OD2-NH2 3.09Å
541Q89.6Confident92.4Very high120 Ų12064 Ų6456%0.56135%0.35SS*.  trans-101.8147.7177.5-62.8-63.9-2.200113.4H538 P539H538-Q541 HydrophobicContact CB-CB 4.42Å; H538-Q541 PolarHBondContact CE1-O 2.75Å; H538-Q541 PolarHBondContact ND1-O 2.89Å; H538-Q541 PolarHBondContact O-N 3.26Å; P539-Q541 PolarHBondContact O-N 2.8Å
542P92.8Very high92.3Very high78 Ų7860.6 Ų60.651%0.50634%0.342SS..  trans-75.5165.3173.334.3-36000111.9H538 D544H538-P542 PolarHBondContact CE1-O 3.37Å; H538-P542 VanDerWaalsContact CE1-O 3.26Å; P542-D544 PolarHBondContact O-N 3.16Å; P542-D544 VanDerWaalsContact O-N 3.13Å
543C93.8Very high92.1Very high26 Ų2663.8 Ų63.818%0.17636%0.356CS..SBendtrans-82.484.2167.4-61.20000110.3H538 C547 V550 C562 C566 N568H538-C543 PolarHBondContact CE1-SG 3.01Å; H538-C543 PolarHBondContact NE2-SG 3.25Å; C543-C547 HydrophobicContact CB-CB 3.94Å; C543-C547 VanDerWaalsContact SG-SG 3.65Å; C543-V550 HydrophobicContact CB-CG2 4.28Å; C543-C562 WeakPolarHBondContact SG-CB 3.35Å; C543-C562 PolarHBondContact SG-SG 3.04Å; C543-C566 VanDerWaalsContact CB-SG 3.55Å; C543-C566 PolarHBondContact SG-SG 2.73Å; C543-N568 HydrophobicContact CB-CB 4.47Å
544D91.8Very high92Very high69 Ų6964.7 Ų64.737%0.36936%0.361SS..SBendtrans-99.8-159170.36429.3000111.4P542 S546 C547 V550P542-D544 PolarHBondContact O-N 3.16Å; P542-D544 VanDerWaalsContact O-N 3.13Å; D544-S546 PolarHBondContact O-N 3.26Å; D544-S546 WeakPolarHBondContact OD1-CB 3.27Å; D544-S546 PolarHBondContact OD1-N 2.71Å; D544-S546 PolarHBondContact OD1-OG 2.95Å; D544-C547 VanDerWaalsContact O-CB 3.32Å; D544-C547 WeakPolarHBondContact O-CB 3.48Å; D544-C547 PolarHBondContact O-N 3.24Å; D544-C547 VanDerWaalsContact O-N 3.09Å; D544-V550 WeakPolarHBondContact O-CB 3.29Å; D544-V550 WeakPolarHBondContact O-CG2 3.32Å
545S91.6Very high92.1Very high106 Ų10661.4 Ų61.474%0.74135%0.345SS*.THydrogen-bonded Turntrans-66.1-8.2178.648.40000115.4T551S545-T551 PolarHBondContact O-OG1 3.07Å
546S93.1Very high92.1Very high84 Ų8459.4 Ų59.459%0.58733%0.332SS*.THydrogen-bonded Turntrans-87.3-15.4170.868.40000113.3D544D544-S546 PolarHBondContact O-N 3.26Å; D544-S546 WeakPolarHBondContact OD1-CB 3.27Å; D544-S546 PolarHBondContact OD1-N 2.71Å; D544-S546 PolarHBondContact OD1-OG 2.95Å
547C93.9Very high92.1Very high0 Ų059.4 Ų59.40%033%0.332CS..SBendtrans-73.7125.7-176.1168.90000111.3H538 C543 D544 C549 V550 T551H538-C547 PolarHBondContact NE2-SG 2.86Å; H538-C547 VanDerWaalsContact NE2-SG 3.41Å; C543-C547 HydrophobicContact CB-CB 3.94Å; C543-C547 VanDerWaalsContact SG-SG 3.65Å; D544-C547 VanDerWaalsContact O-CB 3.32Å; D544-C547 WeakPolarHBondContact O-CB 3.48Å; D544-C547 PolarHBondContact O-N 3.24Å; D544-C547 VanDerWaalsContact O-N 3.09Å; C547-C549 VanDerWaalsContact C-N 3.27Å; C547-C549 PolarHBondContact O-N 3Å; C547-C549 VanDerWaalsContact O-N 3.09Å; C547-V550 HydrophobicContact CB-CB 4.28Å; C547-V550 HydrophobicContact CB-CG2 3.99Å; C547-V550 WeakPolarHBondContact O-CA 3.49Å; C547-V550 WeakPolarHBondContact O-CB 3.28Å; C547-V550 PolarHBondContact O-N 3.48Å; C547-T551 PolarHBondContact O-N 3.36Å; C547-T551 PolarHBondContact O-OG1 3.17Å
548P94Very high92Very high75 Ų7559.7 Ų59.749%0.48733%0.331SS..Hα-helixtrans-50.6-40.8-178.8-3136.1000114.5V550 T551 A552P548-V550 VanDerWaalsContact C-N 3.35Å; P548-V550 PolarHBondContact O-N 2.67Å; P548-T551 PolarHBondContact O-N 2.82Å; P548-A552 VanDerWaalsContact O-CB 3.25Å; P548-A552 WeakPolarHBondContact O-CB 3.44Å; P548-A552 PolarHBondContact O-N 3.02Å
549C93.6Very high92.2Very high4 Ų458.4 Ų58.43%0.02733%0.325CS..Hα-helixtrans-61.1-41175.7-52.90000112.6Q534 C536 C547 Q553 N554Q534-C549 PolarHBondContact O-SG 3.19Å; C536-C549 VanDerWaalsContact SG-SG 3.62Å; C547-C549 VanDerWaalsContact C-N 3.27Å; C547-C549 PolarHBondContact O-N 3Å; C547-C549 VanDerWaalsContact O-N 3.09Å; C549-Q553 PolarHBondContact O-N 3.44Å; C549-N554 CarbonylContact C-O 3.56Å; C549-N554 CarbonylContact O-C 3.55Å; C549-N554 WeakPolarHBondContact O-CA 3.43Å; C549-N554 PolarHBondContact O-N 3.33Å
550V92.4Very high92.5Very high47 Ų4754.4 Ų54.429%0.28530%0.299SS..Hα-helixtrans-71.3-41.9-178.8178.60000110.4C543 D544 C547 P548 Q553 N568C543-V550 HydrophobicContact CB-CG2 4.28Å; D544-V550 WeakPolarHBondContact O-CB 3.29Å; D544-V550 WeakPolarHBondContact O-CG2 3.32Å; C547-V550 HydrophobicContact CB-CB 4.28Å; C547-V550 HydrophobicContact CB-CG2 3.99Å; C547-V550 WeakPolarHBondContact O-CA 3.49Å; C547-V550 WeakPolarHBondContact O-CB 3.28Å; C547-V550 PolarHBondContact O-N 3.48Å; P548-V550 VanDerWaalsContact C-N 3.35Å; P548-V550 PolarHBondContact O-N 2.67Å; V550-Q553 WeakPolarHBondContact O-CA 3.18Å; V550-Q553 PolarHBondContact O-N 2.83Å; V550-N568 HydrophobicContact CG2-CB 4.3Å
551T91.9Very high92.8Very high97 Ų9748.6 Ų48.660%0.59528%0.28SS*.Hα-helixtrans-60.2-44.1174.4-49.40000111.6S545 C547 P548 Q553S545-T551 PolarHBondContact O-OG1 3.07Å; C547-T551 PolarHBondContact O-N 3.36Å; C547-T551 PolarHBondContact O-OG1 3.17Å; P548-T551 PolarHBondContact O-N 2.82Å; T551-Q553 PolarHBondContact O-N 3.45Å; T551-Q553 VanDerWaalsContact O-N 3.17Å
552A89.8Confident92.9Very high25 Ų2543.4 Ų43.421%0.20726%0.257CS..THydrogen-bonded Turntrans-72.53.5174.100000114.4P548 N554P548-A552 VanDerWaalsContact O-CB 3.25Å; P548-A552 WeakPolarHBondContact O-CB 3.44Å; P548-A552 PolarHBondContact O-N 3.02Å; A552-N554 HydrophobicContact CB-CB 4.45Å; A552-N554 PolarHBondContact O-N 3.43Å; A552-N554 VanDerWaalsContact O-N 3.14Å
553Q90.1Very high92.8Very high103 Ų10343.1 Ų43.148%0.48126%0.257SS..THydrogen-bonded Turntrans54.426.1-174.4-52.2-17126.900114.6C549 V550 T551C549-Q553 PolarHBondContact O-N 3.44Å; V550-Q553 WeakPolarHBondContact O-CA 3.18Å; V550-Q553 PolarHBondContact O-N 2.83Å; T551-Q553 PolarHBondContact O-N 3.45Å; T551-Q553 VanDerWaalsContact O-N 3.17Å
554N92.9Very high92.6Very high19 Ų1945.8 Ų45.810%0.10228%0.276CS..  trans-101.4149.2-179.2-84.3-38.1000111.9Y531 N532 C549 A552 N568Y531-N554 PolarHBondContact O-ND2 3.12Å; N532-N554 PolarHBondContact O-ND2 3.32Å; C549-N554 CarbonylContact C-O 3.56Å; C549-N554 CarbonylContact O-C 3.55Å; C549-N554 WeakPolarHBondContact O-CA 3.43Å; C549-N554 PolarHBondContact O-N 3.33Å; A552-N554 HydrophobicContact CB-CB 4.45Å; A552-N554 PolarHBondContact O-N 3.43Å; A552-N554 VanDerWaalsContact O-N 3.14Å; N554-N568 PolarHBondContact O-ND2 3.16Å
555F94.5Very high92.5Very high30 Ų3048.8 Ų48.813%0.13229%0.288CS..  trans-72.9151.6171.7-66.8-73.9000111W512 I519 E557 N568 F570W512-F555 HydrophobicContact CZ2-CE1 4.46Å; I519-F555 HydrophobicContact CD1-CE1 3.93Å; I519-F555 HydrophobicContact CD1-CZ 4.32Å; I519-F555 HydrophobicContact CG2-CZ 4.23Å; F555-E557 PolarHBondContact O-N 2.68Å; F555-N568 WeakPolarHBondContact CA-O 3.45Å; F555-F570 HydrophobicContact CB-CB 3.98Å; F555-F570 HydrophobicContact CD2-CD2 4.04Å; F555-F570 HydrophobicContact CE2-CD2 4.25Å; F555-F570 HydrophobicContact CG-CB 4.25Å; F555-F570 HydrophobicContact CG-CD2 4.19Å
556C94.9Very high92.4Very high0 Ų044.7 Ų44.70%026%0.259CS..BIsolated β-bridgetrans-78.2114.4171.3-65.90000110.3C560 N568 R569 F570C556-C560 HydrophobicContact CB-CB 4.31Å; C556-N568 PolarHBondContact N-ND2 3.09Å; C556-N568 PolarHBondContact N-O 2.67Å; C556-N568 PolarHBondContact SG-ND2 3.27Å; C556-R569 HydrophobicContact CB-CG 3.73Å; C556-R569 VanDerWaalsContact O-CA 3.24Å; C556-R569 WeakPolarHBondContact O-CA 3.28Å; C556-F570 PolarHBondContact O-N 2.96Å
557E94.7Very high92.3Very high4 Ų445.5 Ų45.52%0.01925%0.253CS..  trans-82.1172.2177.7-51.8-56.6155.700112.9Y533 F555 F559 C560 R569 R591Y533-E557 HydrophobicContact CD1-CG 4.05Å; Y533-E557 HydrophobicContact CD2-CG 3.92Å; Y533-E557 HydrophobicContact CE1-CB 3.95Å; Y533-E557 HydrophobicContact CE1-CG 3.75Å; Y533-E557 HydrophobicContact CE2-CB 4.03Å; Y533-E557 HydrophobicContact CE2-CG 3.62Å; Y533-E557 HydrophobicContact CG-CG 4.14Å; Y533-E557 WeakPolarHBondContact OH-CB 3.24Å; F555-E557 PolarHBondContact O-N 2.68Å; E557-F559 HydrophobicContact CB-CD2 3.85Å; E557-F559 HydrophobicContact CB-CE2 4.32Å; E557-F559 PolarHBondContact O-N 2.95Å; E557-C560 PolarHBondContact O-N 2.71Å; E557-R569 PolarHBondContact O-NH1 3.42Å; E557-R591 IonicContact OE1-CZ 2.75Å; E557-R591 IonicContact OE1-NH1 2.68Å; E557-R591 PolarHBondContact OE1-NH1 3.23Å; E557-R591 IonicContact OE1-NH2 2.98Å; E557-R591 PolarHBondContact OE1-NH2 2.9Å; E557-R591 IonicContact OE2-CZ 3.95Å; E557-R591 IonicContact OE2-NH1 3.43Å; E557-R591 IonicContact OE2-NH2 3.58Å; E557-R591 PolarHBondContact OE2-NH2 3.4Å
558K92.5Very high92.2Very high50 Ų5046.9 Ų46.922%0.21726%0.26CS..THydrogen-bonded Turntrans-52.3-14.7174.261.2-173.1170.1-169.10115.7D594 D596 N716K558-D594 WeakPolarHBondContact CD-OD2 3.45Å; K558-D594 WeakPolarHBondContact CE-OD2 3.35Å; K558-D594 IonicContact NZ-OD1 2.8Å; K558-D594 PolarHBondContact NZ-OD1 2.8Å; K558-D594 IonicContact NZ-OD2 3.65Å; K558-D594 PolarHBondContact NZ-OD2 2.85Å; K558-D596 HydrophobicContact CD-CB 4.05Å; K558-D596 VanDerWaalsContact CD-OD2 3.25Å; K558-D596 WeakPolarHBondContact CD-OD2 3.38Å; K558-D596 WeakPolarHBondContact CE-OD2 3.5Å; K558-D596 IonicContact NZ-OD2 2.72Å; K558-D596 PolarHBondContact NZ-OD2 2.92Å; K558-N716 PolarHBondContact NZ-OD1 3.13Å
559F94.4Very high92.3Very high8 Ų845.6 Ų45.64%0.03525%0.246CC..THydrogen-bonded Turntrans-90.7-18.1178.2-42.1-77.1000114.2R303 Y533 P535 E557 Q561 N716R303-F559 HydrophobicContact CB-CE1 4.25Å; R303-F559 HydrophobicContact CB-CZ 4.46Å; R303-F559 HydrophobicContact CG-CD1 4.02Å; R303-F559 HydrophobicContact CG-CD2 4.4Å; R303-F559 HydrophobicContact CG-CE1 4.19Å; R303-F559 HydrophobicContact CG-CG 4.12Å; R303-F559 HydrophobicContact CG-CZ 4.44Å; Y533-F559 AromaticContact CE1-CD2 3.92Å; Y533-F559 HydrophobicContact CE1-CD2 3.92Å; P535-F559 HydrophobicContact CB-CB 4.13Å; P535-F559 HydrophobicContact CG-CB 3.88Å; E557-F559 HydrophobicContact CB-CD2 3.85Å; E557-F559 HydrophobicContact CB-CE2 4.32Å; E557-F559 PolarHBondContact O-N 2.95Å; F559-Q561 PolarHBondContact O-NE2 3.06Å; F559-N716 WeakPolarHBondContact CE2-O 3.44Å
560C93.9Very high92.3Very high3 Ų345.7 Ų45.72%0.0225%0.246CC..  trans-66.2146.4176.1-60.20000111Y533 C536 C556 E557 R569Y533-C560 PolarHBondContact OH-SG 3.42Å; C536-C560 PolarHBondContact N-SG 3.01Å; C536-C560 WeakPolarHBondContact O-CA 3.04Å; C536-C560 VanDerWaalsContact SG-SG 3.68Å; C556-C560 HydrophobicContact CB-CB 4.31Å; E557-C560 PolarHBondContact O-N 2.71Å; C560-R569 PolarHBondContact O-NH2 3.04Å
561Q93.4Very high92.2Very high73 Ų7346.8 Ų46.834%0.34125%0.254SS..  trans-91.63179-57.9-50.5-33.200114.5N319 T320 C536 D537 F559N319-Q561 HydrophobicContact CB-CG 4.35Å; T320-Q561 PolarHBondContact OG1-NE2 2.88Å; C536-Q561 PolarHBondContact O-N 3.36Å; D537-Q561 HydrophobicContact CB-CB 4.2Å; D537-Q561 HydrophobicContact CB-CG 4.32Å; F559-Q561 PolarHBondContact O-NE2 3.06Å
562C91.6Very high92.3Very high11 Ų1142.3 Ų42.37%0.07423%0.227CC..SBendtrans-65164.7172.665.90000113C543 R569C543-C562 WeakPolarHBondContact SG-CB 3.35Å; C543-C562 PolarHBondContact SG-SG 3.04Å; C562-R569 PolarHBondContact O-NH2 3.25Å
563S90.9Very high92.4Very high72 Ų7241.2 Ų41.250%0.50322%0.218SC..  trans-46.9143.3-177174.70000114E565 C566 R569S563-E565 PolarHBondContact O-N 2.85Å; S563-E565 VanDerWaalsContact O-N 3.13Å; S563-E565 PolarHBondContact OG-N 3.24Å; S563-C566 WeakPolarHBondContact O-CB 3.34Å; S563-C566 PolarHBondContact O-N 3.38Å; S563-R569 PolarHBondContact O-NE 3.28Å
564S88.6Confident92.6Very high82 Ų8245.8 Ų45.857%0.57323%0.231SC*.THydrogen-bonded Turntrans-63.4-15.7174.257.30000113.7
565E89.3Confident92.7Very high132 Ų13246.2 Ų46.262%0.61724%0.235SC*.THydrogen-bonded Turntrans-104.512.9175-53.7-158.6159.600113S563 Q567S563-E565 PolarHBondContact O-N 2.85Å; S563-E565 VanDerWaalsContact O-N 3.13Å; S563-E565 PolarHBondContact OG-N 3.24Å; E565-Q567 PolarHBondContact O-N 3.46Å; E565-Q567 PolarHBondContact O-NE2 3.08Å
566C91Very high92.6Very high19 Ų1954.2 Ų54.213%0.12827%0.27CS..  trans-53.3125.1174.91660000111.5C543 S563 N568 R569C543-C566 VanDerWaalsContact CB-SG 3.55Å; C543-C566 PolarHBondContact SG-SG 2.73Å; S563-C566 WeakPolarHBondContact O-CB 3.34Å; S563-C566 PolarHBondContact O-N 3.38Å; C566-N568 PolarHBondContact O-N 2.97Å; C566-N568 PolarHBondContact SG-N 3.44Å; C566-N568 VanDerWaalsContact SG-N 3.43Å; C566-R569 HydrophobicContact CB-CG 3.87Å; C566-R569 WeakPolarHBondContact O-CB 3.43Å; C566-R569 PolarHBondContact O-N 3.41Å; C566-R569 VanDerWaalsContact O-N 3.1Å
567Q90.2Very high92.4Very high102 Ų10256.4 Ų56.448%0.47729%0.288SS..THydrogen-bonded Turntrans-71.7-13.9-175.2-58.1-60.5-87.100113.8W512 E565W512-Q567 WeakPolarHBondContact CH2-O 3.43Å; E565-Q567 PolarHBondContact O-N 3.46Å; E565-Q567 PolarHBondContact O-NE2 3.08Å
568N92.6Very high92.2Very high28 Ų2861.7 Ų61.715%0.1531%0.313CS..THydrogen-bonded Turntrans-88-1.2172.2-164.649.1000113.2C543 V550 N554 F555 C556 C566C543-N568 HydrophobicContact CB-CB 4.47Å; V550-N568 HydrophobicContact CG2-CB 4.3Å; N554-N568 PolarHBondContact O-ND2 3.16Å; F555-N568 WeakPolarHBondContact CA-O 3.45Å; C556-N568 PolarHBondContact N-ND2 3.09Å; C556-N568 PolarHBondContact N-O 2.67Å; C556-N568 PolarHBondContact SG-ND2 3.27Å; C566-N568 PolarHBondContact O-N 2.97Å; C566-N568 PolarHBondContact SG-N 3.44Å; C566-N568 VanDerWaalsContact SG-N 3.43Å
569R94.4Very high92.3Very high48 Ų4859.5 Ų59.518%0.18130%0.304CS..BIsolated β-bridgetrans-72.1136.3177.1-73.8-179.7172.6-76.36.8111.9C556 E557 C560 C562 S563 C566 P571C556-R569 HydrophobicContact CB-CG 3.73Å; C556-R569 VanDerWaalsContact O-CA 3.24Å; C556-R569 WeakPolarHBondContact O-CA 3.28Å; E557-R569 PolarHBondContact O-NH1 3.42Å; C560-R569 PolarHBondContact O-NH2 3.04Å; C562-R569 PolarHBondContact O-NH2 3.25Å; S563-R569 PolarHBondContact O-NE 3.28Å; C566-R569 HydrophobicContact CB-CG 3.87Å; C566-R569 WeakPolarHBondContact O-CB 3.43Å; C566-R569 PolarHBondContact O-N 3.41Å; C566-R569 VanDerWaalsContact O-N 3.1Å; R569-P571 WeakPolarHBondContact O-CD 3.25Å
570F94.3Very high92.3Very high6 Ų662.3 Ų62.33%0.02632%0.319CS..  trans-74.4123.7171.7-167.1-95.7000109.8F555 C556 A589 L597F555-F570 HydrophobicContact CB-CB 3.98Å; F555-F570 HydrophobicContact CD2-CD2 4.04Å; F555-F570 HydrophobicContact CE2-CD2 4.25Å; F555-F570 HydrophobicContact CG-CB 4.25Å; F555-F570 HydrophobicContact CG-CD2 4.19Å; C556-F570 PolarHBondContact O-N 2.96Å; F570-A589 HydrophobicContact CE2-CB 4.19Å; F570-L597 WeakPolarHBondContact O-CD1 3.31Å
571P90.4Very high92.2Very high70 Ų7065.1 Ų65.146%0.45534%0.337SS..  trans-93.18.4-169.636.9-37.6000114.9W512 R569W512-P571 HydrophobicContact CD2-CG 4.24Å; W512-P571 HydrophobicContact CG-CG 4.3Å; W512-P571 HydrophobicContact CZ2-CG 4.14Å; W512-P571 VanDerWaalsContact NE1-CG 3.27Å; R569-P571 WeakPolarHBondContact O-CD 3.25Å
572G93.1Very high92.1Very high3 Ų369.7 Ų69.73%0.03136%0.355CS..  trans74-160.7-173.100000113.8
573C93.1Very high92.1Very high3 Ų377.6 Ų77.62%0.0239%0.391CS..  trans-123.5160.7176.272.20000112.6P585 C598C573-P585 HydrophobicContact CB-CG 3.77Å; C573-C598 PolarHBondContact N-SG 3.01Å; C573-C598 VanDerWaalsContact N-SG 3.43Å; C573-C598 VanDerWaalsContact SG-SG 3.69Å
574R94.7Very high92.3Very high198 Ų19874.2 Ų74.275%0.74737%0.367SS*.  trans-121.833.1175.8-63.6-177.3177.5-125.6-4.6112T600R574-T600 WeakPolarHBondContact CA-OG1 3.13Å
575C94.4Very high92.5Very high28 Ų2871.5 Ų71.519%0.18935%0.348CS..  trans-79.1148.5179.7-630000109.9C579 T600 C601C575-C579 WeakPolarHBondContact CB-SG 3.39Å; C575-T600 CarbonylContact O-C 3.49Å; C575-T600 VanDerWaalsContact O-C 3.23Å; C575-C601 HydrophobicContact CB-CB 4.25Å; C575-C601 WeakPolarHBondContact O-CA 3.35Å; C575-C601 WeakPolarHBondContact O-CB 3.35Å; C575-C601 PolarHBondContact O-N 3.36Å
576K91.9Very high92.8Very high198 Ų19865.2 Ų65.286%0.86132%0.318SS*.SBendtrans-77.3-32.1178.7-64.9-173.1177.3-173.80113.7
577A91.2Very high93Very high47 Ų4766.9 Ų66.939%0.38832%0.322SS..SBendtrans-164.7176.4-177.400000110.9C579A577-C579 PolarHBondContact O-N 3.05Å
578Q90.4Very high93.1Very high114 Ų11464 Ų6453%0.53331%0.31SS..BIsolated β-bridgetrans61.2-56.1171.3-61.3-177.9-10.500116.2N580 S613 K615Q578-N580 PolarHBondContact O-N 3.09Å; Q578-S613 VanDerWaalsContact CA-O 3.3Å; Q578-S613 WeakPolarHBondContact CA-O 3.4Å; Q578-S613 PolarHBondContact N-O 2.91Å; Q578-K615 WeakPolarHBondContact O-CA 3.26Å; Q578-K615 WeakPolarHBondContact O-CB 3.44Å; Q578-K615 PolarHBondContact O-N 3.19Å
579C94.8Very high93Very high4 Ų464 Ų643%0.02731%0.313CS..  trans54.720179.9-700000115.8C575 A577 C584 Y587 C601 N616C575-C579 WeakPolarHBondContact CB-SG 3.39Å; A577-C579 PolarHBondContact O-N 3.05Å; C579-C584 HydrophobicContact CB-CB 4.19Å; C579-Y587 VanDerWaalsContact O-CB 3.23Å; C579-Y587 WeakPolarHBondContact O-CB 3.28Å; C579-C601 VanDerWaalsContact SG-CB 3.51Å; C579-N616 HydrophobicContact CB-CB 3.71Å; C579-N616 WeakPolarHBondContact O-CB 3.41Å
580N93.7Very high92.9Very high67 Ų6764.1 Ų64.136%0.35832%0.32SS..  trans-100.714.7-17462.3-11.7000114.1Q578 Y587Q578-N580 PolarHBondContact O-N 3.09Å; N580-Y587 WeakPolarHBondContact O-CE1 3.47Å
581T92.9Very high93Very high63 Ų6364.3 Ų64.339%0.38732%0.32SS..SBendtrans-127.5162.7-17973.80000111.8Q583 C584T581-Q583 PolarHBondContact O-N 3.33Å; T581-Q583 PolarHBondContact OG1-N 3.13Å; T581-C584 PolarHBondContact O-N 3.03Å
582K91.5Very high93.3Very high168 Ų16861.3 Ų61.373%0.7330%0.3SS*.THydrogen-bonded Turntrans-60.3-5.4175.7-65.6-174.1178.9-1770114.6L588K582-L588 HydrophobicContact CB-CD1 4.24Å; K582-L588 HydrophobicContact CD-CD1 4.43Å; K582-L588 HydrophobicContact CG-CD1 4.18Å
583Q91.4Very high93.5Very high177 Ų17761.2 Ų61.283%0.82730%0.299SS*.THydrogen-bonded Turntrans-74.4-26.5169.8-58.8-176.26.400112.5T581T581-Q583 PolarHBondContact O-N 3.33Å; T581-Q583 PolarHBondContact OG1-N 3.13Å
584C94.8Very high93.6Very high1 Ų161.2 Ų61.21%0.00730%0.299CS..SBendtrans-83.4126.2176.2179.80000110.5C579 T581 C586 Y587 L588C579-C584 HydrophobicContact CB-CB 4.19Å; T581-C584 PolarHBondContact O-N 3.03Å; C584-C586 VanDerWaalsContact C-N 3.29Å; C584-C586 PolarHBondContact O-N 3.18Å; C584-Y587 PolarHBondContact O-N 3.26Å; C584-L588 WeakPolarHBondContact O-CB 3.46Å; C584-L588 PolarHBondContact O-N 3.41Å
585P93.4Very high93.7Very high25 Ų2552.5 Ų52.516%0.16227%0.268CS..Hα-helixtrans-65.3-30.2179.726.6-34.7000112.9C573 A589C573-P585 HydrophobicContact CB-CG 3.77Å; P585-A589 WeakPolarHBondContact O-CB 3.31Å; P585-A589 PolarHBondContact O-N 3.09Å; P585-A589 VanDerWaalsContact O-N 3.1Å
586C94.6Very high93.7Very high0 Ų055.6 Ų55.60%028%0.282CS..Hα-helixtrans-63-55174.4-57.70000110.6C584 L588 A589 V590 R591C584-C586 VanDerWaalsContact C-N 3.29Å; C584-C586 PolarHBondContact O-N 3.18Å; C586-L588 PolarHBondContact O-N 3.13Å; C586-A589 CarbonylContact O-C 3.45Å; C586-A589 PolarHBondContact O-N 3.28Å; C586-V590 PolarHBondContact O-N 3.44Å; C586-R591 CarbonylContact C-O 3.59Å; C586-R591 VanDerWaalsContact C-O 3.26Å; C586-R591 HydrophobicContact CB-CB 4.42Å; C586-R591 WeakPolarHBondContact O-CB 3.11Å; C586-R591 PolarHBondContact O-N 2.95Å
587Y94.4Very high93.7Very high55 Ų5549 Ų4922%0.21626%0.256CS..Hα-helixtrans-63.8-40.4-177.3-173.1-90.6000113C579 N580 C584 A589 V590C579-Y587 VanDerWaalsContact O-CB 3.23Å; C579-Y587 WeakPolarHBondContact O-CB 3.28Å; N580-Y587 WeakPolarHBondContact O-CE1 3.47Å; C584-Y587 PolarHBondContact O-N 3.26Å; Y587-A589 VanDerWaalsContact C-N 3.34Å; Y587-V590 PolarHBondContact O-N 3.16Å; Y587-V590 VanDerWaalsContact O-N 3.14Å
588L92.4Very high93.9Very high42 Ų4246.7 Ų46.722%0.2224%0.238CC..Hα-helixtrans-61.3-42.1174.7-17962.7000111.9R517 Q520 K582 C584 C586 V590R517-L588 HydrophobicContact CG-CD2 4.36Å; Q520-L588 PolarHBondContact NE2-O 2.96Å; Q520-L588 PolarHBondContact OE1-O 3.33Å; K582-L588 HydrophobicContact CB-CD1 4.24Å; K582-L588 HydrophobicContact CD-CD1 4.43Å; K582-L588 HydrophobicContact CG-CD1 4.18Å; C584-L588 WeakPolarHBondContact O-CB 3.46Å; C584-L588 PolarHBondContact O-N 3.41Å; C586-L588 PolarHBondContact O-N 3.13Å; L588-V590 PolarHBondContact O-N 3.29Å
589A90.3Very high94.1Very high26 Ų2646.7 Ų46.722%0.21524%0.24CC..THydrogen-bonded Turntrans-78.76.9176.200000114.1F570 P585 C586 Y587 R591F570-A589 HydrophobicContact CE2-CB 4.19Å; P585-A589 WeakPolarHBondContact O-CB 3.31Å; P585-A589 PolarHBondContact O-N 3.09Å; P585-A589 VanDerWaalsContact O-N 3.1Å; C586-A589 CarbonylContact O-C 3.45Å; C586-A589 PolarHBondContact O-N 3.28Å; Y587-A589 VanDerWaalsContact C-N 3.34Å; A589-R591 HydrophobicContact CB-CG 4.02Å; A589-R591 WeakPolarHBondContact O-CG 3.41Å
590V94.1Very high94.1Very high52 Ų5250.3 Ų50.332%0.31526%0.263SS..THydrogen-bonded Turntrans61.544.2-179.1-176.90000112.5C586 Y587 L588 V712 M713 M714C586-V590 PolarHBondContact O-N 3.44Å; Y587-V590 PolarHBondContact O-N 3.16Å; Y587-V590 VanDerWaalsContact O-N 3.14Å; L588-V590 PolarHBondContact O-N 3.29Å; V590-V712 WeakPolarHBondContact CG1-O 3.46Å; V590-M713 HydrophobicContact CG1-CB 4.49Å; V590-M713 HydrophobicContact CG1-CG 4.09Å; V590-M713 WeakPolarHBondContact O-CA 3.3Å; V590-M714 PolarHBondContact O-N 3.26Å; V590-M714 VanDerWaalsContact O-N 3.09Å
591R95.8Very high94.1Very high10 Ų1047.1 Ų47.14%0.03825%0.246CC..BIsolated β-bridgetrans-125.7148.1-179.6-51.3176.55699.7-2.3112.1E557 C586 A589 N616 M714E557-R591 IonicContact OE1-CZ 2.75Å; E557-R591 IonicContact OE1-NH1 2.68Å; E557-R591 PolarHBondContact OE1-NH1 3.23Å; E557-R591 IonicContact OE1-NH2 2.98Å; E557-R591 PolarHBondContact OE1-NH2 2.9Å; E557-R591 IonicContact OE2-CZ 3.95Å; E557-R591 IonicContact OE2-NH1 3.43Å; E557-R591 IonicContact OE2-NH2 3.58Å; E557-R591 PolarHBondContact OE2-NH2 3.4Å; C586-R591 CarbonylContact C-O 3.59Å; C586-R591 VanDerWaalsContact C-O 3.26Å; C586-R591 HydrophobicContact CB-CB 4.42Å; C586-R591 WeakPolarHBondContact O-CB 3.11Å; C586-R591 PolarHBondContact O-N 2.95Å; A589-R591 HydrophobicContact CB-CG 4.02Å; A589-R591 WeakPolarHBondContact O-CG 3.41Å; R591-N616 PolarHBondContact O-ND2 2.95Å; R591-M714 VanDerWaalsContact CA-O 3.28Å; R591-M714 WeakPolarHBondContact CA-O 3.48Å; R591-M714 HydrophobicContact CG-CB 4.21Å
592E96.3Very high94.1Very high7 Ų744.3 Ų44.33%0.03323%0.229CC..  trans-71.8164.3160.7-70.9-150.5141.600111.6D594 N616 C617 S618 I619 Q620 M713 M714 V715E592-D594 PolarHBondContact O-N 3.04Å; E592-N616 CarbonylContact C-O 3.46Å; E592-N616 WeakPolarHBondContact CA-O 3.25Å; E592-N616 WeakPolarHBondContact CB-O 3.36Å; E592-C617 VanDerWaalsContact CD-CA 3.45Å; E592-C617 WeakPolarHBondContact OE1-CA 3.34Å; E592-C617 PolarHBondContact OE1-N 3.18Å; E592-C617 WeakPolarHBondContact OE2-CA 3.43Å; E592-S618 PolarHBondContact OE1-N 3.06Å; E592-S618 PolarHBondContact OE2-N 2.86Å; E592-I619 PolarHBondContact OE1-N 3.37Å; E592-I619 PolarHBondContact OE2-N 3.04Å; E592-Q620 PolarHBondContact OE2-N 3.43Å; E592-M713 HydrophobicContact CG-CE 3.63Å; E592-M714 PolarHBondContact N-O 3.34Å; E592-M714 VanDerWaalsContact N-O 3.11Å; E592-V715 HydrophobicContact CB-CG1 4.3Å; E592-V715 HydrophobicContact CB-CG2 4.29Å; E592-V715 HydrophobicContact CG-CG1 4.48Å; E592-V715 HydrophobicContact CG-CG2 3.97Å
593C96.9Very high94.2Very high0 Ų036.3 Ų36.30%019%0.194CC..  trans-79.3100176.9-69.50000110.1C598 A603 C614 N616 Q620C593-C598 HydrophobicContact CB-CB 3.91Å; C593-A603 HydrophobicContact CB-CB 3.69Å; C593-C614 VanDerWaalsContact SG-SG 3.68Å; C593-N616 PolarHBondContact N-ND2 2.95Å; C593-N616 PolarHBondContact N-O 3.18Å; C593-N616 PolarHBondContact SG-ND2 2.82Å; C593-N616 VanDerWaalsContact SG-ND2 3.4Å; C593-Q620 PolarHBondContact O-NE2 3.14Å
594D96.6Very high94.2Very high3 Ų328.8 Ų28.82%0.01616%0.162CC..  trans-51.7123.2172.3-174.9-46.5000110.7K558 E592 D596 L597 C598 N716K558-D594 WeakPolarHBondContact CD-OD2 3.45Å; K558-D594 WeakPolarHBondContact CE-OD2 3.35Å; K558-D594 IonicContact NZ-OD1 2.8Å; K558-D594 PolarHBondContact NZ-OD1 2.8Å; K558-D594 IonicContact NZ-OD2 3.65Å; K558-D594 PolarHBondContact NZ-OD2 2.85Å; E592-D594 PolarHBondContact O-N 3.04Å; D594-D596 VanDerWaalsContact C-N 3.34Å; D594-D596 PolarHBondContact O-N 2.84Å; D594-D596 PolarHBondContact OD1-N 3.38Å; D594-L597 HydrophobicContact CB-CB 4.26Å; D594-L597 HydrophobicContact CB-CD1 4.1Å; D594-L597 HydrophobicContact CB-CG 4.29Å; D594-L597 PolarHBondContact O-N 3.43Å; D594-C598 WeakPolarHBondContact O-CB 3.31Å; D594-C598 PolarHBondContact O-N 3.05Å; D594-C598 PolarHBondContact O-SG 2.96Å; D594-N716 PolarHBondContact OD2-OD1 3.02Å
595P95.4Very high94Very high16 Ų1632.1 Ų32.110%0.10418%0.18CC..THydrogen-bonded Turntrans-71.4-24.6-173.830.2-34.7000113.7L597 L599 A604 W607 N716P595-L597 VanDerWaalsContact C-N 3.25Å; P595-L597 PolarHBondContact O-N 2.93Å; P595-L599 VanDerWaalsContact O-CD2 3.26Å; P595-L599 WeakPolarHBondContact O-CD2 3.25Å; P595-A604 VanDerWaalsContact O-CB 3.32Å; P595-A604 WeakPolarHBondContact O-CB 3.48Å; P595-W607 HydrophobicContact CB-CH2 3.56Å; P595-W607 HydrophobicContact CB-CZ2 4.12Å; P595-W607 HydrophobicContact CG-CH2 4Å; P595-N716 VanDerWaalsContact CD-OD1 3.23Å; P595-N716 WeakPolarHBondContact CD-OD1 3.23Å
596D94.1Very high93.5Very high92 Ų9237.8 Ų37.849%0.49220%0.204SC..THydrogen-bonded Turntrans-78.1-14.6178.1-63.2-56.1000112K558 D594K558-D596 HydrophobicContact CD-CB 4.05Å; K558-D596 VanDerWaalsContact CD-OD2 3.25Å; K558-D596 WeakPolarHBondContact CD-OD2 3.38Å; K558-D596 WeakPolarHBondContact CE-OD2 3.5Å; K558-D596 IonicContact NZ-OD2 2.72Å; K558-D596 PolarHBondContact NZ-OD2 2.92Å; D594-D596 VanDerWaalsContact C-N 3.34Å; D594-D596 PolarHBondContact O-N 2.84Å; D594-D596 PolarHBondContact OD1-N 3.38Å
597L93.7Very high93.2Very high59 Ų5945.2 Ų45.231%0.30923%0.232SC..THydrogen-bonded Turntrans-115.4-35.2-174.9-56.1177.2000113.1F570 D594 P595 L599F570-L597 WeakPolarHBondContact O-CD1 3.31Å; D594-L597 HydrophobicContact CB-CB 4.26Å; D594-L597 HydrophobicContact CB-CD1 4.1Å; D594-L597 HydrophobicContact CB-CG 4.29Å; D594-L597 PolarHBondContact O-N 3.43Å; P595-L597 VanDerWaalsContact C-N 3.25Å; P595-L597 PolarHBondContact O-N 2.93Å; L597-L599 VanDerWaalsContact C-N 3.26Å; L597-L599 PolarHBondContact O-N 3.41Å; L597-L599 VanDerWaalsContact O-N 3.16Å
598C95.2Very high92.9Very high0 Ų050.4 Ų50.40%026%0.263CS..  trans-9244.1-171.7-56.40000112.8C573 C593 D594 T600 C601 A603C573-C598 PolarHBondContact N-SG 3.01Å; C573-C598 VanDerWaalsContact N-SG 3.43Å; C573-C598 VanDerWaalsContact SG-SG 3.69Å; C593-C598 HydrophobicContact CB-CB 3.91Å; D594-C598 WeakPolarHBondContact O-CB 3.31Å; D594-C598 PolarHBondContact O-N 3.05Å; D594-C598 PolarHBondContact O-SG 2.96Å; C598-T600 PolarHBondContact O-N 3.39Å; C598-C601 PolarHBondContact O-N 3.01Å; C598-C601 PolarHBondContact O-SG 3.13Å; C598-C601 VanDerWaalsContact O-SG 3.36Å; C598-A603 HydrophobicContact CB-CB 4.03Å
599L94.3Very high92.7Very high113 Ų11350.5 Ų50.559%0.59227%0.268SS*.THydrogen-bonded Turntrans-6623.6-171.5-52.5175.2000115.8P595 L597 A604P595-L599 VanDerWaalsContact O-CD2 3.26Å; P595-L599 WeakPolarHBondContact O-CD2 3.25Å; L597-L599 VanDerWaalsContact C-N 3.26Å; L597-L599 PolarHBondContact O-N 3.41Å; L597-L599 VanDerWaalsContact O-N 3.16Å; L599-A604 HydrophobicContact CD2-CB 3.94Å
600T94.1Very high92.1Very high81 Ų8155.5 Ų55.550%0.49728%0.284SS..THydrogen-bonded Turntrans-142.4-9.5-175.547.70000114.7R574 C575 C598R574-T600 WeakPolarHBondContact CA-OG1 3.13Å; C575-T600 CarbonylContact O-C 3.49Å; C575-T600 VanDerWaalsContact O-C 3.23Å; C598-T600 PolarHBondContact O-N 3.39Å
601C93.8Very high91.6Very high0 Ų058.9 Ų58.90%030%0.301CS..THydrogen-bonded Turntrans-107.4-0.2-173.769.40000115.1C575 C579 C598 S613 C614C575-C601 HydrophobicContact CB-CB 4.25Å; C575-C601 WeakPolarHBondContact O-CA 3.35Å; C575-C601 WeakPolarHBondContact O-CB 3.35Å; C575-C601 PolarHBondContact O-N 3.36Å; C579-C601 VanDerWaalsContact SG-CB 3.51Å; C598-C601 PolarHBondContact O-N 3.01Å; C598-C601 PolarHBondContact O-SG 3.13Å; C598-C601 VanDerWaalsContact O-SG 3.36Å; C601-S613 CarbonylContact O-C 3.59Å; C601-S613 PolarHBondContact O-OG 3.02Å; C601-C614 WeakPolarHBondContact O-CA 3.45Å; C601-C614 VanDerWaalsContact O-CB 3.3Å; C601-C614 WeakPolarHBondContact O-CB 3.29Å; C601-C614 PolarHBondContact O-N 2.92Å; C601-C614 VanDerWaalsContact O-N 3.1Å
602G92.4Very high91.4Very high3 Ų359 Ų593%0.03130%0.303CS..THydrogen-bonded Turntrans952.5-171.700000115.7D605 V612 S613G602-D605 WeakPolarHBondContact CA-OD2 3.49Å; G602-V612 WeakPolarHBondContact O-CB 3.19Å; G602-V612 WeakPolarHBondContact O-CG2 3.49Å; G602-S613 VanDerWaalsContact CA-OG 3.27Å; G602-S613 WeakPolarHBondContact CA-OG 3.49Å
603A93.4Very high91.2Very high0 Ų061.6 Ų61.60%032%0.322CS..SBendtrans-73.6-33.5-177.200000113.1C593 C598 C614 R621C593-A603 HydrophobicContact CB-CB 3.69Å; C598-A603 HydrophobicContact CB-CB 4.03Å; A603-C614 HydrophobicContact CB-CB 4.39Å; A603-R621 PolarHBondContact O-NH2 3.48Å
604A93.1Very high91.1Very high19 Ų1961.8 Ų61.816%0.15732%0.323CS..SBendtrans-89.6-12.1-177.400000114P595 L599 W607P595-A604 VanDerWaalsContact O-CB 3.32Å; P595-A604 WeakPolarHBondContact O-CB 3.48Å; L599-A604 HydrophobicContact CD2-CB 3.94Å; A604-W607 VanDerWaalsContact O-CE2 3.29Å; A604-W607 WeakPolarHBondContact O-CZ2 3.47Å; A604-W607 PolarHBondContact O-NE1 2.8Å; A604-W607 VanDerWaalsContact O-NE1 3.14Å
605D89.1Confident91Very high71 Ų7166.1 Ų66.138%0.3834%0.342SS..SBendtrans-99.4157.3-164.2-49.8-61.3000112G602 R621G602-D605 WeakPolarHBondContact CA-OD2 3.49Å; D605-R621 PolarHBondContact O-NH1 3.36Å; D605-R621 PolarHBondContact O-NH2 2.93Å
606H83.9Confident91.1Very high144 Ų14465.6 Ų65.667%0.66734%0.338SS*.  trans43.471172.1-56.6-72.4000114.7D608 S609 V612 R621H606-D608 VanDerWaalsContact C-N 3.29Å; H606-D608 PolarHBondContact O-N 2.77Å; H606-S609 PolarHBondContact O-N 3.29Å; H606-S609 VanDerWaalsContact O-N 3.13Å; H606-V612 HydrophobicContact CB-CG1 4.32Å; H606-R621 PolarHBondContact O-NH1 3.32Å
607W87.3Confident91.1Very high156 Ų15661.4 Ų61.459%0.59132%0.316SS*.THydrogen-bonded Turntrans-61-34.1-175.1-67.3104.8000114.3P595 A604 S609P595-W607 HydrophobicContact CB-CH2 3.56Å; P595-W607 HydrophobicContact CB-CZ2 4.12Å; P595-W607 HydrophobicContact CG-CH2 4Å; A604-W607 VanDerWaalsContact O-CE2 3.29Å; A604-W607 WeakPolarHBondContact O-CZ2 3.47Å; A604-W607 PolarHBondContact O-NE1 2.8Å; A604-W607 VanDerWaalsContact O-NE1 3.14Å; W607-S609 VanDerWaalsContact C-N 3.26Å; W607-S609 PolarHBondContact O-N 3.14Å
608D87.9Confident91.2Very high164 Ų16459.6 Ų59.688%0.87731%0.308SS*.THydrogen-bonded Turntrans-69.4-24.8179-39.8-84.2000112.3H606H606-D608 VanDerWaalsContact C-N 3.29Å; H606-D608 PolarHBondContact O-N 2.77Å
609S88.9Confident91.3Very high44 Ų4459.7 Ų59.731%0.30831%0.308SS..  trans-88.4125.6175.3-1750000111.5H606 W607 N611 R621H606-S609 PolarHBondContact O-N 3.29Å; H606-S609 VanDerWaalsContact O-N 3.13Å; W607-S609 VanDerWaalsContact C-N 3.26Å; W607-S609 PolarHBondContact O-N 3.14Å; S609-N611 VanDerWaalsContact C-N 3.32Å; S609-N611 PolarHBondContact OG-N 2.86Å; S609-N611 PolarHBondContact OG-O 2.84Å; S609-N611 VanDerWaalsContact OG-O 3.14Å; S609-R621 PolarHBondContact O-NH1 3.36Å
610K78Confident91.3Very high131 Ų13156 Ų5657%0.5729%0.288SS*.SBendtrans-79.5-17.2165.2-64.3-169.1170.9-166.60112.7R621 G622 A623K610-R621 WeakPolarHBondContact CE-O 3.2Å; K610-G622 PolarHBondContact NZ-O 2.85Å; K610-A623 HydrophobicContact CB-CB 4.28Å
611N83Confident91.3Very high124 Ų12453.5 Ų53.566%0.66327%0.27SS*.  trans-101.577.4178.2-17219.1000110.4S609 K615S609-N611 VanDerWaalsContact C-N 3.32Å; S609-N611 PolarHBondContact OG-N 2.86Å; S609-N611 PolarHBondContact OG-O 2.84Å; S609-N611 VanDerWaalsContact OG-O 3.14Å; N611-K615 PolarHBondContact OD1-NZ 3.22Å
612V91.1Very high91.3Very high12 Ų1254.6 Ų54.67%0.07328%0.281CS..  trans-94.5169.4173.3-65.90000111.9G602 H606 C614 K615 R621G602-V612 WeakPolarHBondContact O-CB 3.19Å; G602-V612 WeakPolarHBondContact O-CG2 3.49Å; H606-V612 HydrophobicContact CB-CG1 4.32Å; V612-C614 VanDerWaalsContact C-N 3.28Å; V612-C614 HydrophobicContact CG2-CB 4.36Å; V612-C614 PolarHBondContact O-N 2.61Å; V612-K615 PolarHBondContact O-NZ 2.95Å; V612-R621 VanDerWaalsContact CG1-NH1 3.33Å
613S93.6Very high91.4Very high62 Ų6255.7 Ų55.743%0.43429%0.29SS..SBendtrans-66.9-26.5179.450.50000113Q578 C601 G602Q578-S613 VanDerWaalsContact CA-O 3.3Å; Q578-S613 WeakPolarHBondContact CA-O 3.4Å; Q578-S613 PolarHBondContact N-O 2.91Å; C601-S613 CarbonylContact O-C 3.59Å; C601-S613 PolarHBondContact O-OG 3.02Å; G602-S613 VanDerWaalsContact CA-OG 3.27Å; G602-S613 WeakPolarHBondContact CA-OG 3.49Å
614C95.2Very high91.5Very high3 Ų359.8 Ų59.82%0.0231%0.307CS..BIsolated β-bridgetrans-76.7131.4168.6-173.80000110.7C593 C601 A603 V612 N616 C617C593-C614 VanDerWaalsContact SG-SG 3.68Å; C601-C614 WeakPolarHBondContact O-CA 3.45Å; C601-C614 VanDerWaalsContact O-CB 3.3Å; C601-C614 WeakPolarHBondContact O-CB 3.29Å; C601-C614 PolarHBondContact O-N 2.92Å; C601-C614 VanDerWaalsContact O-N 3.1Å; A603-C614 HydrophobicContact CB-CB 4.39Å; V612-C614 VanDerWaalsContact C-N 3.28Å; V612-C614 HydrophobicContact CG2-CB 4.36Å; V612-C614 PolarHBondContact O-N 2.61Å; C614-N616 PolarHBondContact SG-N 3.13Å; C614-N616 VanDerWaalsContact SG-N 3.41Å; C614-C617 VanDerWaalsContact SG-SG 3.66Å
615K94.3Very high91.7Very high95 Ų9561 Ų6141%0.41331%0.309SS..SBendtrans-106.811.3173.7-57-53.2-176.6-160.10113.2Q578 N611 V612 S618Q578-K615 WeakPolarHBondContact O-CA 3.26Å; Q578-K615 WeakPolarHBondContact O-CB 3.44Å; Q578-K615 PolarHBondContact O-N 3.19Å; N611-K615 PolarHBondContact OD1-NZ 3.22Å; V612-K615 PolarHBondContact O-NZ 2.95Å; K615-S618 PolarHBondContact O-OG 3.16Å
616N96.1Very high92.1Very high5 Ų562 Ų623%0.02731%0.311CS..SBendtrans-121.643.3-178-169.860000110.2C579 R591 E592 C593 C614C579-N616 HydrophobicContact CB-CB 3.71Å; C579-N616 WeakPolarHBondContact O-CB 3.41Å; R591-N616 PolarHBondContact O-ND2 2.95Å; E592-N616 CarbonylContact C-O 3.46Å; E592-N616 WeakPolarHBondContact CA-O 3.25Å; E592-N616 WeakPolarHBondContact CB-O 3.36Å; C593-N616 PolarHBondContact N-ND2 2.95Å; C593-N616 PolarHBondContact N-O 3.18Å; C593-N616 PolarHBondContact SG-ND2 2.82Å; C593-N616 VanDerWaalsContact SG-ND2 3.4Å; C614-N616 PolarHBondContact SG-N 3.13Å; C614-N616 VanDerWaalsContact SG-N 3.41Å
617C95.7Very high92.8Very high3 Ų355.4 Ų55.42%0.0228%0.281CS..  trans-152.735.1177.7590000110.2E592 C614 Q620 R621E592-C617 VanDerWaalsContact CD-CA 3.45Å; E592-C617 WeakPolarHBondContact OE1-CA 3.34Å; E592-C617 PolarHBondContact OE1-N 3.18Å; E592-C617 WeakPolarHBondContact OE2-CA 3.43Å; C614-C617 VanDerWaalsContact SG-SG 3.66Å; C617-Q620 HydrophobicContact CB-CG 3.97Å; C617-R621 WeakPolarHBondContact O-CB 3.19Å; C617-R621 WeakPolarHBondContact O-CG 3.23Å
618S95.8Very high93.3Very high21 Ų2151.5 Ų51.515%0.14727%0.271CS..THydrogen-bonded Turntrans-88.8-34.7-169.5-54.30000111.5E592 K615 G622 A623E592-S618 PolarHBondContact OE1-N 3.06Å; E592-S618 PolarHBondContact OE2-N 2.86Å; K615-S618 PolarHBondContact O-OG 3.16Å; S618-G622 PolarHBondContact O-N 3.02Å; S618-A623 PolarHBondContact O-N 3.08Å
619I96Very high93.8Very high2 Ų247.1 Ų47.11%0.0125%0.247CC..THydrogen-bonded Turntrans-68.6-51.5172.8-60.6179000109.1E592 R621 G622 F650 E653 M713 V715 R720E592-I619 PolarHBondContact OE1-N 3.37Å; E592-I619 PolarHBondContact OE2-N 3.04Å; I619-R621 PolarHBondContact O-N 2.71Å; I619-R621 VanDerWaalsContact O-N 3.16Å; I619-G622 PolarHBondContact O-N 3.12Å; I619-F650 HydrophobicContact CD1-CE2 4.35Å; I619-F650 HydrophobicContact CG1-CD2 4.34Å; I619-F650 HydrophobicContact CG1-CE2 3.57Å; I619-F650 HydrophobicContact CG1-CZ 3.83Å; I619-E653 HydrophobicContact CG2-CG 4.23Å; I619-M713 HydrophobicContact CD1-CE 3.66Å; I619-M713 HydrophobicContact CG1-CE 4.39Å; I619-V715 HydrophobicContact CB-CG2 4.4Å; I619-V715 HydrophobicContact CD1-CG2 4.36Å; I619-V715 HydrophobicContact CG2-CG2 4.33Å; I619-R720 HydrophobicContact CG2-CB 3.9Å; I619-R720 HydrophobicContact CG2-CG 4.43Å
620Q95.1Very high94.2Very high36 Ų3646.7 Ų46.717%0.16825%0.247CC..THydrogen-bonded Turntrans-62-27.1-177.773.4-172.529.800113.9E592 C593 C617 V715 N716E592-Q620 PolarHBondContact OE2-N 3.43Å; C593-Q620 PolarHBondContact O-NE2 3.14Å; C617-Q620 HydrophobicContact CB-CG 3.97Å; Q620-V715 HydrophobicContact CB-CG1 3.74Å; Q620-N716 PolarHBondContact OE1-ND2 3.35Å
621R94.6Very high95.1Very high29 Ų2944 Ų4411%0.10924%0.243CC..THydrogen-bonded Turntrans-93.8-0.3175.5-67.8-174.2177.4-128.6-1.3114.3A603 D605 H606 S609 K610 V612 C617 I619 A623A603-R621 PolarHBondContact O-NH2 3.48Å; D605-R621 PolarHBondContact O-NH1 3.36Å; D605-R621 PolarHBondContact O-NH2 2.93Å; H606-R621 PolarHBondContact O-NH1 3.32Å; S609-R621 PolarHBondContact O-NH1 3.36Å; K610-R621 WeakPolarHBondContact CE-O 3.2Å; V612-R621 VanDerWaalsContact CG1-NH1 3.33Å; C617-R621 WeakPolarHBondContact O-CB 3.19Å; C617-R621 WeakPolarHBondContact O-CG 3.23Å; I619-R621 PolarHBondContact O-N 2.71Å; I619-R621 VanDerWaalsContact O-N 3.16Å; R621-A623 VanDerWaalsContact C-N 3.25Å; R621-A623 PolarHBondContact O-N 2.72Å
622G93.6Very high95.6Very high22 Ų2238.9 Ų38.923%0.22722%0.217CC..THydrogen-bonded Turntrans54.442.2-174.600000112.5K610 S618 I619 K624K610-G622 PolarHBondContact NZ-O 2.85Å; S618-G622 PolarHBondContact O-N 3.02Å; I619-G622 PolarHBondContact O-N 3.12Å; G622-K624 PolarHBondContact O-N 3.12Å; G622-K624 VanDerWaalsContact O-N 3.08Å
623A93.8Very high95.6Very high27 Ų2745.1 Ų45.122%0.22325%0.25CC..  trans-83.742.3-175.400000112.6K610 S618 R621 F650K610-A623 HydrophobicContact CB-CB 4.28Å; S618-A623 PolarHBondContact O-N 3.08Å; R621-A623 VanDerWaalsContact C-N 3.25Å; R621-A623 PolarHBondContact O-N 2.72Å; A623-F650 WeakPolarHBondContact O-CD1 3.34Å
624K95.5Very high95.3Very high85 Ų8545.1 Ų45.137%0.3725%0.247SC..PPolyproline II helixtrans-71.9151.3179.762.9174.1176.7-67.90112.4G622 F650 I651G622-K624 PolarHBondContact O-N 3.12Å; G622-K624 VanDerWaalsContact O-N 3.08Å; K624-F650 HydrophobicContact CB-CE1 4.29Å; K624-I651 CarbonylContact C-O 3.51Å; K624-I651 VanDerWaalsContact CA-O 3.27Å; K624-I651 WeakPolarHBondContact CA-O 3.19Å; K624-I651 WeakPolarHBondContact CB-O 3.14Å
625K96.8Very high94.8Very high46 Ų4647.8 Ų47.820%0.227%0.269CS..PPolyproline II helixtrans-73165.9173.7-62-75.1-179.2161.50111.3I641 V645 E649 I651K625-I641 HydrophobicContact CB-CD1 4.44Å; K625-V645 HydrophobicContact CD-CG2 3.81Å; K625-V645 HydrophobicContact CG-CG2 3.95Å; K625-E649 VanDerWaalsContact CE-OE1 3.22Å; K625-E649 WeakPolarHBondContact CE-OE1 3.43Å; K625-E649 VanDerWaalsContact NZ-CD 3.26Å; K625-E649 IonicContact NZ-OE1 2.68Å; K625-E649 PolarHBondContact NZ-OE1 3.46Å; K625-E649 IonicContact NZ-OE2 3.2Å; K625-E649 PolarHBondContact NZ-OE2 2.87Å; K625-I651 PolarHBondContact N-O 3.05Å
626H97.8Very high94.7Very high90 Ų9045.3 Ų45.342%0.41727%0.271SS..PPolyproline II helixtrans-83.8125.3176.2-162.9106.7000111.1K642H626-K642 HydrophobicContact CB-CB 4.06Å; H626-K642 HydrophobicContact CB-CD 4.06Å; H626-K642 WeakPolarHBondContact O-CB 3.42Å; H626-K642 PolarHBondContact O-N 3.48Å; H626-K642 VanDerWaalsContact O-N 3.1Å
627L98.2Very high94.7Very high6 Ų647.4 Ų47.43%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-117.2138-175.6-62.7176.5000111.3I639 I641 I651 K696 I697 L735L627-I639 HydrophobicContact CB-CD1 4.27Å; L627-I639 HydrophobicContact CB-CG1 3.88Å; L627-I639 HydrophobicContact CD1-CG1 4.33Å; L627-I639 HydrophobicContact CG-CG1 4.48Å; L627-I641 HydrophobicContact CD2-CG1 4.16Å; L627-I651 HydrophobicContact CD2-CG2 4Å; L627-K696 HydrophobicContact CB-CB 4.21Å; L627-K696 HydrophobicContact CB-CD 4.06Å; L627-K696 HydrophobicContact CD1-CB 4.08Å; L627-K696 WeakPolarHBondContact O-CD 3.18Å; L627-K696 PolarHBondContact O-NZ 3.19Å; L627-I697 HydrophobicContact CD1-CB 4.18Å; L627-I697 HydrophobicContact CD1-CD1 3.68Å; L627-I697 HydrophobicContact CD1-CG1 4.49Å; L627-I697 HydrophobicContact CD2-CD1 4.41Å; L627-L735 HydrophobicContact CD2-CD1 3.62Å
628L98.3Very high94.7Very high75 Ų7547.2 Ų47.239%0.39328%0.277SS..EExtended strand (participates in β ladder)trans-111.4142.1-179.3-55.4176.1000109.2I639 F640 K642L628-I639 WeakPolarHBondContact O-CA 3.47Å; L628-I639 WeakPolarHBondContact O-CD1 3.48Å; L628-I639 WeakPolarHBondContact O-CG1 3.48Å; L628-F640 HydrophobicContact CB-CB 4.38Å; L628-F640 PolarHBondContact N-O 2.92Å; L628-F640 PolarHBondContact O-N 3.27Å; L628-K642 HydrophobicContact CD1-CB 4.2Å; L628-K642 HydrophobicContact CD1-CG 4.37Å; L628-K642 HydrophobicContact CG-CB 4.24Å
629L98.1Very high94.9Very high71 Ų7146.2 Ų46.237%0.37227%0.27SS..EExtended strand (participates in β ladder)trans-107.2129.817917672.3000108.6M111 W637 I639 F699M111-L629 HydrophobicContact CE-CD2 4.03Å; L629-W637 HydrophobicContact CD1-CB 4.19Å; L629-W637 HydrophobicContact CD1-CD2 4.2Å; L629-W637 HydrophobicContact CD1-CE3 3.65Å; L629-W637 HydrophobicContact CD1-CG 4.46Å; L629-W637 HydrophobicContact CD1-CZ3 4.37Å; L629-W637 HydrophobicContact CD2-CE3 4.13Å; L629-W637 HydrophobicContact CD2-CZ3 4.14Å; L629-W637 HydrophobicContact CG-CD2 4.49Å; L629-W637 HydrophobicContact CG-CE3 3.64Å; L629-W637 HydrophobicContact CG-CZ3 3.84Å; L629-I639 HydrophobicContact CB-CD1 4.15Å; L629-I639 HydrophobicContact CD1-CD1 4.32Å; L629-F699 HydrophobicContact CD1-CB 4.21Å; L629-F699 HydrophobicContact CD1-CD1 4.3Å; L629-F699 HydrophobicContact CD1-CD2 3.84Å; L629-F699 HydrophobicContact CD1-CE2 4.25Å; L629-F699 HydrophobicContact CD1-CG 3.87Å
630A97.3Very high95Very high36 Ų3647.4 Ų47.430%0.29828%0.275SS..EExtended strand (participates in β ladder)trans-150.7167.5173.700000109W637 G638 F640A630-W637 VanDerWaalsContact C-CE3 3.48Å; A630-G638 PolarHBondContact N-O 3.04Å; A630-G638 PolarHBondContact O-N 3.26Å; A630-F640 HydrophobicContact CB-CD2 3.95Å; A630-F640 HydrophobicContact CB-CE2 3.71Å; A630-F640 HydrophobicContact CB-CZ 4.44Å
631P96.7Very high95.1Very high74 Ų7445.7 Ų45.748%0.48127%0.267SS..EExtended strand (participates in β ladder)trans-51.2142166.5-2535.9000110.6P109 G636 F640P109-P631 HydrophobicContact CG-CB 4.13Å; P109-P631 HydrophobicContact CG-CG 4.29Å; P631-G636 WeakPolarHBondContact CA-O 3.4Å; P631-F640 WeakPolarHBondContact O-CZ 3.27Å
632S94.5Very high95.3Very high17 Ų1749.1 Ų49.112%0.11928%0.283CS..  trans-75.4149.6176.6179.90000110.5V634 A635 G636 N701 E734S632-V634 PolarHBondContact O-N 2.99Å; S632-V634 PolarHBondContact OG-N 3.43Å; S632-A635 VanDerWaalsContact CB-O 3.25Å; S632-A635 WeakPolarHBondContact CB-O 3.5Å; S632-A635 PolarHBondContact OG-N 2.93Å; S632-G636 PolarHBondContact N-O 3.36Å; S632-N701 PolarHBondContact OG-ND2 3.04Å; S632-E734 WeakPolarHBondContact CA-OE2 3.35Å; S632-E734 WeakPolarHBondContact CB-OE1 3.18Å; S632-E734 VanDerWaalsContact OG-CD 3.24Å; S632-E734 PolarHBondContact OG-OE1 3.42Å; S632-E734 PolarHBondContact OG-OE2 3.09Å
633D90.2Very high95.4Very high143 Ų14352.1 Ų52.177%0.76529%0.291SS*.SBendtrans-73.2-10.3167.5-67.1-37.3000111.9E734D633-E734 PolarHBondContact N-OE2 3.16Å; D633-E734 VanDerWaalsContact N-OE2 3.1Å
634V87.8Confident95.5Very high61 Ų6154.5 Ų54.537%0.3730%0.304SS..SBendtrans-102.2-69.1178172.80000111.2S632 F736 I752S632-V634 PolarHBondContact O-N 2.99Å; S632-V634 PolarHBondContact OG-N 3.43Å; V634-F736 HydrophobicContact CB-CE1 4.4Å; V634-F736 HydrophobicContact CG2-CE1 3.75Å; V634-F736 HydrophobicContact CG2-CZ 3.9Å; V634-I752 HydrophobicContact CB-CD1 4.21Å; V634-I752 HydrophobicContact CG1-CD1 3.84Å; V634-I752 HydrophobicContact CG1-CG1 4.26Å; V634-I752 HydrophobicContact CG2-CD1 4.47Å
635A84.6Confident95.6Very high60 Ų6050.6 Ų50.650%0.49629%0.288SS..SBendtrans-159.1137.4-176.300000112.1S632 W637S632-A635 VanDerWaalsContact CB-O 3.25Å; S632-A635 WeakPolarHBondContact CB-O 3.5Å; S632-A635 PolarHBondContact OG-N 2.93Å; A635-W637 PolarHBondContact O-N 2.97Å
636G92.4Very high95.6Very high43 Ų4355.4 Ų55.444%0.44331%0.311SS..SBendtrans64-121.417300000113.4P109 P631 S632P109-G636 WeakPolarHBondContact CG-O 3.39Å; P631-G636 WeakPolarHBondContact CA-O 3.4Å; S632-G636 PolarHBondContact N-O 3.36Å
637W96.1Very high95.6Very high48 Ų4857.6 Ų57.618%0.18232%0.319CS..EExtended strand (participates in β ladder)trans-108.5134.5-178.7-75.3102000111.1V108 P109 M111 L629 A630 A635 F699 N701V108-W637 HydrophobicContact CG1-CH2 3.7Å; V108-W637 HydrophobicContact CG1-CZ2 3.29Å; P109-W637 HydrophobicContact CB-CG 4.38Å; P109-W637 PolarHBondContact O-NE1 2.95Å; M111-W637 HydrophobicContact CE-CD2 3.79Å; M111-W637 HydrophobicContact CE-CG 3.77Å; M111-W637 HydrophobicContact CE-CZ2 4.2Å; L629-W637 HydrophobicContact CD1-CB 4.19Å; L629-W637 HydrophobicContact CD1-CD2 4.2Å; L629-W637 HydrophobicContact CD1-CE3 3.65Å; L629-W637 HydrophobicContact CD1-CG 4.46Å; L629-W637 HydrophobicContact CD1-CZ3 4.37Å; L629-W637 HydrophobicContact CD2-CE3 4.13Å; L629-W637 HydrophobicContact CD2-CZ3 4.14Å; L629-W637 HydrophobicContact CG-CD2 4.49Å; L629-W637 HydrophobicContact CG-CE3 3.64Å; L629-W637 HydrophobicContact CG-CZ3 3.84Å; A630-W637 VanDerWaalsContact C-CE3 3.48Å; A635-W637 PolarHBondContact O-N 2.97Å; W637-F699 HydrophobicContact CB-CD1 3.82Å; W637-F699 HydrophobicContact CB-CE1 4.32Å; W637-N701 PolarHBondContact O-ND2 3.35Å
638G96.7Very high95.4Very high0 Ų061 Ų610%034%0.337CS..EExtended strand (participates in β ladder)trans-115.7161.6176.200000112.4A630 F699 E734A630-G638 PolarHBondContact N-O 3.04Å; A630-G638 PolarHBondContact O-N 3.26Å; G638-F699 CarbonylContact C-O 3.57Å; G638-F699 WeakPolarHBondContact CA-O 3.48Å; G638-E734 WeakPolarHBondContact CA-OE1 3.43Å
639I98.2Very high95.3Very high0 Ų060.8 Ų60.80%033%0.334CS..EExtended strand (participates in β ladder)trans-120127.5175.1-15378.1000111.3L627 L628 L629 K696 I697 F699 A700 E734 L735L627-I639 HydrophobicContact CB-CD1 4.27Å; L627-I639 HydrophobicContact CB-CG1 3.88Å; L627-I639 HydrophobicContact CD1-CG1 4.33Å; L627-I639 HydrophobicContact CG-CG1 4.48Å; L628-I639 WeakPolarHBondContact O-CA 3.47Å; L628-I639 WeakPolarHBondContact O-CD1 3.48Å; L628-I639 WeakPolarHBondContact O-CG1 3.48Å; L629-I639 HydrophobicContact CB-CD1 4.15Å; L629-I639 HydrophobicContact CD1-CD1 4.32Å; I639-K696 HydrophobicContact CD1-CB 4.16Å; I639-K696 VanDerWaalsContact CD1-O 3.3Å; I639-K696 WeakPolarHBondContact CD1-O 3.31Å; I639-K696 WeakPolarHBondContact CG1-O 3.34Å; I639-I697 HydrophobicContact CG2-CD1 4Å; I639-F699 HydrophobicContact CB-CB 4.04Å; I639-F699 HydrophobicContact CD1-CB 4.4Å; I639-F699 PolarHBondContact N-O 3.49Å; I639-A700 HydrophobicContact CG2-CB 3.65Å; I639-E734 CarbonylContact O-C 3.41Å; I639-E734 WeakPolarHBondContact O-CA 3.1Å; I639-L735 HydrophobicContact CG2-CB 3.97Å; I639-L735 HydrophobicContact CG2-CD1 4.3Å; I639-L735 HydrophobicContact CG2-CG 4.42Å; I639-L735 PolarHBondContact O-N 3.44Å
640F98.3Very high95.2Very high27 Ų2758 Ų5812%0.11832%0.319CS..EExtended strand (participates in β ladder)trans-117.1142.7-169.4-60-103.9000109.9L628 A630 P631 E733 E734L628-F640 HydrophobicContact CB-CB 4.38Å; L628-F640 PolarHBondContact N-O 2.92Å; L628-F640 PolarHBondContact O-N 3.27Å; A630-F640 HydrophobicContact CB-CD2 3.95Å; A630-F640 HydrophobicContact CB-CE2 3.71Å; A630-F640 HydrophobicContact CB-CZ 4.44Å; P631-F640 WeakPolarHBondContact O-CZ 3.27Å; F640-E733 WeakPolarHBondContact CA-O 3.33Å; F640-E734 HydrophobicContact CD1-CB 3.82Å; F640-E734 HydrophobicContact CD1-CG 4.48Å; F640-E734 HydrophobicContact CE1-CB 3.56Å; F640-E734 HydrophobicContact CE1-CG 4.14Å; F640-E734 HydrophobicContact CE2-CG 4.28Å; F640-E734 HydrophobicContact CG-CB 4.46Å; F640-E734 HydrophobicContact CZ-CB 3.95Å; F640-E734 HydrophobicContact CZ-CG 4.01Å
641I98.1Very high95.2Very high0 Ų056.2 Ų56.20%031%0.305CS..EExtended strand (participates in β ladder)trans-92.3129.6-175.7-154.2162.9000112.1K625 L627 V645 I651 I729 Q730 G732 E733 L735K625-I641 HydrophobicContact CB-CD1 4.44Å; L627-I641 HydrophobicContact CD2-CG1 4.16Å; I641-V645 HydrophobicContact CD1-CB 4.11Å; I641-V645 HydrophobicContact CD1-CG2 3.4Å; I641-V645 VanDerWaalsContact CD1-CG2 3.4Å; I641-V645 HydrophobicContact CG1-CG2 4.39Å; I641-I651 HydrophobicContact CD1-CG1 4.31Å; I641-I651 HydrophobicContact CD1-CG2 4.06Å; I641-I729 HydrophobicContact CG2-CG2 3.79Å; I641-Q730 VanDerWaalsContact CG2-O 3.22Å; I641-Q730 WeakPolarHBondContact CG2-O 3.18Å; I641-G732 PolarHBondContact O-N 3.12Å; I641-E733 PolarHBondContact N-O 3.01Å; I641-E733 VanDerWaalsContact N-O 3.08Å; I641-L735 HydrophobicContact CB-CD1 4.24Å; I641-L735 HydrophobicContact CB-CD2 4.08Å; I641-L735 HydrophobicContact CB-CG 4.33Å; I641-L735 HydrophobicContact CD1-CD1 4.27Å; I641-L735 HydrophobicContact CD1-CD2 4.38Å; I641-L735 HydrophobicContact CG2-CD2 4.29Å
642K97.8Very high95.3Very high100 Ų10052.8 Ų52.844%0.43528%0.282SS..SBendtrans-74-33.3-176.4-171.8-171.4171.3-161.90113H626 L628 T731H626-K642 HydrophobicContact CB-CB 4.06Å; H626-K642 HydrophobicContact CB-CD 4.06Å; H626-K642 WeakPolarHBondContact O-CB 3.42Å; H626-K642 PolarHBondContact O-N 3.48Å; H626-K642 VanDerWaalsContact O-N 3.1Å; L628-K642 HydrophobicContact CD1-CB 4.2Å; L628-K642 HydrophobicContact CD1-CG 4.37Å; L628-K642 HydrophobicContact CG-CB 4.24Å; K642-T731 VanDerWaalsContact O-CG2 3.22Å; K642-T731 WeakPolarHBondContact O-CG2 3.33Å; K642-T731 PolarHBondContact O-OG1 3.14Å
643E95.9Very high95.5Very high86 Ų8652.3 Ų52.340%0.40228%0.278SS..SBendtrans-127.2146.2-169.9-72.3156.7-151.900109.2T731E643-T731 WeakPolarHBondContact CA-OG1 3.2Å
644P97.2Very high95.8Very high76 Ų7645.8 Ų45.849%0.49424%0.243SC..  trans-67.5147.6-17929.9-35.4000111.3I729 T731P644-I729 CarbonylContact C-O 3.53Å; P644-I729 VanDerWaalsContact CA-O 3.25Å; P644-I729 WeakPolarHBondContact CA-O 3.43Å; P644-T731 WeakPolarHBondContact CD-OG1 3.37Å
645V97.1Very high96.3Very high4 Ų442.9 Ų42.92%0.02423%0.226CC..BIsolated β-bridgetrans-133.6137.3-173.2172.10000110.9K625 I641 E649 I651 A725 A728 I729K625-V645 HydrophobicContact CD-CG2 3.81Å; K625-V645 HydrophobicContact CG-CG2 3.95Å; I641-V645 HydrophobicContact CD1-CB 4.11Å; I641-V645 HydrophobicContact CD1-CG2 3.4Å; I641-V645 VanDerWaalsContact CD1-CG2 3.4Å; I641-V645 HydrophobicContact CG1-CG2 4.39Å; V645-E649 HydrophobicContact CG1-CB 3.74Å; V645-E649 HydrophobicContact CG1-CG 4.08Å; V645-I651 HydrophobicContact CG1-CG1 4.13Å; V645-A725 HydrophobicContact CG1-CB 3.83Å; V645-A728 WeakPolarHBondContact O-CA 3.49Å; V645-I729 PolarHBondContact N-O 3.36Å; V645-I729 PolarHBondContact O-N 3.31Å
646Q96.9Very high96.9Very high147 Ų14740 Ų4069%0.68720%0.202SC*.  trans-84.2158-177.4-61.5-1711.100112.3N648 E649Q646-N648 PolarHBondContact O-N 2.81Å; Q646-E649 HydrophobicContact CB-CB 4.38Å; Q646-E649 PolarHBondContact N-OE2 3.24Å; Q646-E649 WeakPolarHBondContact O-CB 3.42Å; Q646-E649 PolarHBondContact O-N 2.84Å
647K96.9Very high97.1Very high135 Ų13538.2 Ų38.259%0.58718%0.182SC*.THydrogen-bonded Turntrans-58132.9177.3179.5166.8-179.9156.80111.7E649 K726 R727K647-E649 PolarHBondContact O-N 2.84Å; K647-K726 WeakPolarHBondContact CD-O 3.49Å; K647-K726 WeakPolarHBondContact CE-O 3.31Å; K647-K726 PolarHBondContact NZ-O 3.31Å; K647-R727 WeakPolarHBondContact CA-O 3.34Å
648N95Very high97.2Very high79 Ų7936.4 Ų36.442%0.42218%0.176SC..THydrogen-bonded Turntrans64.210.4-172.9-44.4-45.1000115.2Q646 Y709 A725Q646-N648 PolarHBondContact O-N 2.81Å; N648-Y709 PolarHBondContact OD1-OH 3.44Å; N648-A725 WeakPolarHBondContact CA-O 3.38Å; N648-A725 PolarHBondContact N-O 3.02Å
649E95.2Very high97.1Very high69 Ų6936.4 Ų36.432%0.32218%0.176SC..  trans-75.8148.3171.4-173.5176.9-164.800110.7K625 V645 Q646 K647 F724 A725K625-E649 VanDerWaalsContact CE-OE1 3.22Å; K625-E649 WeakPolarHBondContact CE-OE1 3.43Å; K625-E649 VanDerWaalsContact NZ-CD 3.26Å; K625-E649 IonicContact NZ-OE1 2.68Å; K625-E649 PolarHBondContact NZ-OE1 3.46Å; K625-E649 IonicContact NZ-OE2 3.2Å; K625-E649 PolarHBondContact NZ-OE2 2.87Å; V645-E649 HydrophobicContact CG1-CB 3.74Å; V645-E649 HydrophobicContact CG1-CG 4.08Å; Q646-E649 HydrophobicContact CB-CB 4.38Å; Q646-E649 PolarHBondContact N-OE2 3.24Å; Q646-E649 WeakPolarHBondContact O-CB 3.42Å; Q646-E649 PolarHBondContact O-N 2.84Å; K647-E649 PolarHBondContact O-N 2.84Å; E649-F724 WeakPolarHBondContact O-CA 3.31Å; E649-A725 PolarHBondContact O-N 2.91Å
650F96.8Very high97Very high12 Ų1237.2 Ų37.25%0.05318%0.181CC..EExtended strand (participates in β ladder)trans-75.9130.5-179.2176.5-111.4000111.2I619 A623 K624 S652 E653 F724I619-F650 HydrophobicContact CD1-CE2 4.35Å; I619-F650 HydrophobicContact CG1-CD2 4.34Å; I619-F650 HydrophobicContact CG1-CE2 3.57Å; I619-F650 HydrophobicContact CG1-CZ 3.83Å; A623-F650 WeakPolarHBondContact O-CD1 3.34Å; K624-F650 HydrophobicContact CB-CE1 4.29Å; F650-S652 VanDerWaalsContact CE2-O 3.31Å; F650-S652 WeakPolarHBondContact CE2-O 3.46Å; F650-E653 HydrophobicContact CZ-CB 4.28Å; F650-E653 VanDerWaalsContact CZ-N 3.3Å; F650-F724 HydrophobicContact CB-CD1 4.07Å; F650-F724 HydrophobicContact CB-CE1 3.84Å; F650-F724 HydrophobicContact CD2-CD1 4.39Å; F650-F724 AromaticContact CD2-CE1 3.9Å; F650-F724 HydrophobicContact CD2-CE1 3.9Å; F650-F724 AromaticContact CD2-CZ 3.98Å; F650-F724 HydrophobicContact CD2-CZ 3.98Å; F650-F724 HydrophobicContact CG-CE1 4.36Å
651I97.6Very high96.7Very high0 Ų038.2 Ų38.20%019%0.186CC..EExtended strand (participates in β ladder)trans-100-61.2178.4-61.1171.8000109.8K624 K625 L627 I641 V645 I697 C708 I723 A725 I729 L735K624-I651 CarbonylContact C-O 3.51Å; K624-I651 VanDerWaalsContact CA-O 3.27Å; K624-I651 WeakPolarHBondContact CA-O 3.19Å; K624-I651 WeakPolarHBondContact CB-O 3.14Å; K625-I651 PolarHBondContact N-O 3.05Å; L627-I651 HydrophobicContact CD2-CG2 4Å; I641-I651 HydrophobicContact CD1-CG1 4.31Å; I641-I651 HydrophobicContact CD1-CG2 4.06Å; V645-I651 HydrophobicContact CG1-CG1 4.13Å; I651-I697 HydrophobicContact CG2-CD1 4.14Å; I651-C708 HydrophobicContact CD1-CB 4.45Å; I651-C708 WeakPolarHBondContact CD1-SG 3.44Å; I651-I723 PolarHBondContact N-O 2.95Å; I651-A725 HydrophobicContact CD1-CB 4.12Å; I651-I729 HydrophobicContact CD1-CD1 4.11Å; I651-L735 HydrophobicContact CD1-CD1 4.36Å; I651-L735 HydrophobicContact CG2-CD1 3.77Å
652S98.1Very high96.4Very high1 Ų143.5 Ų43.51%0.00722%0.215CC..EExtended strand (participates in β ladder)trans-157.8161.2177.7-1720000109.8F650 I723F650-S652 VanDerWaalsContact CE2-O 3.31Å; F650-S652 WeakPolarHBondContact CE2-O 3.46Å; S652-I723 WeakPolarHBondContact O-CA 3.33Å; S652-I723 WeakPolarHBondContact O-CB 3.18Å; S652-I723 PolarHBondContact O-N 2.7Å
653E97.9Very high96.1Very high8 Ų838.8 Ų38.84%0.03719%0.194CC..EExtended strand (participates in β ladder)trans-77.3144.8158.9-176.2-176.1169.800109I619 F650 C655 N695 I697 R720 I721I619-E653 HydrophobicContact CG2-CG 4.23Å; F650-E653 HydrophobicContact CZ-CB 4.28Å; F650-E653 VanDerWaalsContact CZ-N 3.3Å; E653-C655 PolarHBondContact OE1-SG 2.95Å; E653-N695 PolarHBondContact O-ND2 3.08Å; E653-N695 PolarHBondContact O-OD1 3.16Å; E653-I697 VanDerWaalsContact O-CG2 3.28Å; E653-I697 WeakPolarHBondContact O-CG2 3.46Å; E653-R720 IonicContact OE1-CZ 2.68Å; E653-R720 IonicContact OE1-NE 3.47Å; E653-R720 PolarHBondContact OE1-NE 3.39Å; E653-R720 IonicContact OE1-NH2 2.69Å; E653-R720 PolarHBondContact OE1-NH2 2.56Å; E653-R720 IonicContact OE2-CZ 2.68Å; E653-R720 IonicContact OE2-NE 2.7Å; E653-R720 IonicContact OE2-NH2 2.65Å; E653-R720 PolarHBondContact OE2-NH2 3.24Å; E653-I721 CarbonylContact C-O 3.26Å; E653-I721 VanDerWaalsContact CA-O 3.25Å; E653-I721 WeakPolarHBondContact CA-O 3.46Å; E653-I721 WeakPolarHBondContact CG-O 3.19Å
654Y97.6Very high95.9Very high5 Ų534.9 Ų34.92%0.0218%0.176CC..EExtended strand (participates in β ladder)trans-86.8103.5165.7-168.1-80.5000107.5F678 F680 V688 A690 I697 I721 F737Y654-F678 PolarHBondContact OH-O 3.2Å; Y654-F680 HydrophobicContact CD1-CB 4.29Å; Y654-F680 HydrophobicContact CE1-CB 4.03Å; Y654-V688 HydrophobicContact CD1-CG1 4.21Å; Y654-V688 HydrophobicContact CE1-CG1 4.47Å; Y654-A690 HydrophobicContact CD1-CB 4.47Å; Y654-A690 HydrophobicContact CE1-CB 3.58Å; Y654-I697 HydrophobicContact CD2-CG2 3.9Å; Y654-I697 HydrophobicContact CG-CG2 4.29Å; Y654-I721 HydrophobicContact CD1-CD1 4.35Å; Y654-I721 PolarHBondContact N-O 3.39Å; Y654-F737 HydrophobicContact CD2-CE1 4.41Å; Y654-F737 HydrophobicContact CD2-CZ 4.23Å; Y654-F737 HydrophobicContact CE2-CE1 4.26Å; Y654-F737 AromaticContact CE2-CZ 3.93Å; Y654-F737 HydrophobicContact CE2-CZ 3.93Å
655C97.9Very high95.6Very high1 Ų136.3 Ų36.31%0.00718%0.18CC..  trans-100.7145.4-179.9-60.90000111.6L117 N120 E653 G694 N695L117-C655 HydrophobicContact CB-CB 4.12Å; N120-C655 WeakPolarHBondContact OD1-CA 3.34Å; E653-C655 PolarHBondContact OE1-SG 2.95Å; C655-G694 WeakPolarHBondContact O-CA 3.39Å; C655-N695 HydrophobicContact CB-CB 4.24Å; C655-N695 WeakPolarHBondContact CB-ND2 3.48Å; C655-N695 PolarHBondContact N-ND2 3.43Å; C655-N695 PolarHBondContact SG-ND2 2.88Å
656G97.4Very high95.2Very high0 Ų037.4 Ų37.40%018%0.184CC..EExtended strand (participates in β ladder)trans-160.9-171.4175.600000112.5L117 N120 F121 D689 K693L117-G656 WeakPolarHBondContact CD1-O 3.37Å; N120-G656 VanDerWaalsContact CA-O 3.3Å; N120-G656 WeakPolarHBondContact CA-O 3.27Å; N120-G656 PolarHBondContact OD1-N 3.26Å; F121-G656 PolarHBondContact N-O 3.41Å; F121-G656 VanDerWaalsContact N-O 3.13Å; G656-D689 CarbonylContact C-O 3.41Å; G656-D689 VanDerWaalsContact CA-O 3.3Å; G656-D689 WeakPolarHBondContact CA-O 3.32Å; G656-K693 WeakPolarHBondContact CA-O 3.34Å
657E97.6Very high94.9Very high4 Ų430.7 Ų30.72%0.01915%0.152CC..EExtended strand (participates in β ladder)trans-67.6140.9164-55.8-165135.600109.5F121 V123 I659 R667 V688 D689 R692 K693F121-E657 CarbonylContact O-C 3.56Å; F121-E657 WeakPolarHBondContact O-CA 3.32Å; V123-E657 HydrophobicContact CG2-CB 3.91Å; V123-E657 HydrophobicContact CG2-CG 4.04Å; E657-I659 HydrophobicContact CB-CG2 4.43Å; E657-R667 IonicContact OE2-CZ 3.4Å; E657-R667 IonicContact OE2-NH1 3.23Å; E657-R667 PolarHBondContact OE2-NH1 3.25Å; E657-R667 IonicContact OE2-NH2 3.88Å; E657-V688 CarbonylContact O-C 3.59Å; E657-V688 VanDerWaalsContact O-CA 3.26Å; E657-V688 WeakPolarHBondContact O-CA 3.48Å; E657-D689 PolarHBondContact N-O 3.37Å; E657-D689 PolarHBondContact O-N 2.88Å; E657-R692 WeakPolarHBondContact OE2-CD 3.49Å; E657-K693 HydrophobicContact CG-CB 3.85Å; E657-K693 HydrophobicContact CG-CD 4.04Å; E657-K693 HydrophobicContact CG-CG 3.92Å; E657-K693 WeakPolarHBondContact OE1-CD 3.42Å; E657-K693 WeakPolarHBondContact OE1-CE 3.37Å; E657-K693 VanDerWaalsContact OE1-CG 3.29Å; E657-K693 WeakPolarHBondContact OE1-CG 3.34Å; E657-K693 IonicContact OE1-NZ 2.83Å; E657-K693 PolarHBondContact OE1-NZ 3.2Å
658I96.8Very high94.4Very high11 Ų1124.7 Ų24.76%0.05613%0.129CC..EExtended strand (participates in β ladder)trans-95.8126.1166.9-46.2-168.7000107.2N120 F121 M122 V123 L311 F686 V687N120-I658 HydrophobicContact CB-CD1 3.71Å; N120-I658 HydrophobicContact CB-CG1 3.6Å; F121-I658 PolarHBondContact O-N 3.41Å; M122-I658 HydrophobicContact CE-CB 4.07Å; M122-I658 HydrophobicContact CE-CD1 4.36Å; M122-I658 HydrophobicContact CE-CG2 3.87Å; M122-I658 HydrophobicContact SD-CB 3.81Å; M122-I658 HydrophobicContact SD-CG2 3.9Å; V123-I658 PolarHBondContact N-O 2.6Å; L311-I658 HydrophobicContact CD1-CD1 3.59Å; I658-F686 HydrophobicContact CG2-CB 3.61Å; I658-F686 HydrophobicContact CG2-CD1 3.6Å; I658-F686 HydrophobicContact CG2-CG 3.74Å; I658-V687 WeakPolarHBondContact CA-O 3.23Å
659I96.1Very high94Very high0 Ų023.9 Ų23.90%012%0.122CC..EExtended strand (participates in β ladder)trans-133.6160.6-177.656174.1000109.9V123 E657 E663 A664 L679 F686 V687 D689V123-I659 HydrophobicContact CB-CG2 4.2Å; E657-I659 HydrophobicContact CB-CG2 4.43Å; I659-E663 HydrophobicContact CB-CB 4.01Å; I659-E663 HydrophobicContact CB-CG 3.68Å; I659-E663 HydrophobicContact CD1-CG 4.06Å; I659-E663 HydrophobicContact CG1-CG 4.42Å; I659-E663 HydrophobicContact CG2-CG 3.77Å; I659-A664 HydrophobicContact CD1-CB 3.86Å; I659-A664 HydrophobicContact CG1-CB 4.33Å; I659-L679 HydrophobicContact CD1-CD2 4.1Å; I659-F686 CarbonylContact O-C 3.43Å; I659-F686 VanDerWaalsContact O-CA 3.27Å; I659-F686 WeakPolarHBondContact O-CA 3.48Å; I659-V687 HydrophobicContact CG1-CB 4.15Å; I659-V687 PolarHBondContact N-O 3.4Å; I659-V687 PolarHBondContact O-N 3.44Å; I659-D689 HydrophobicContact CD1-CB 3.77Å; I659-D689 HydrophobicContact CG1-CB 4.37Å
660S95.6Very high93.5Very high17 Ų1721.6 Ų21.612%0.11911%0.112CC..  trans-64.1171.1172.177.50000111.7D125 D662 E663 A664D125-S660 VanDerWaalsContact OD1-CB 3.31Å; D125-S660 WeakPolarHBondContact OD1-CB 3.43Å; D125-S660 PolarHBondContact OD1-OG 3.19Å; D125-S660 VanDerWaalsContact OD1-OG 3.06Å; D125-S660 PolarHBondContact OD2-OG 3.48Å; S660-D662 PolarHBondContact OG-N 3Å; S660-E663 WeakPolarHBondContact OG-CB 3.33Å; S660-E663 PolarHBondContact OG-N 3.03Å; S660-A664 WeakPolarHBondContact O-CB 3.41Å; S660-A664 PolarHBondContact O-N 2.82Å; S660-A664 VanDerWaalsContact O-N 3.11Å
661Q91.9Very high93.1Very high47 Ų4722.2 Ų22.222%0.2212%0.115CC..Hα-helixtrans-66.6-39168-63.1-69.4-14.700111.3E663 A664 D665 N681 N683 N684Q661-E663 PolarHBondContact O-N 2.76Å; Q661-A664 WeakPolarHBondContact O-CB 2.86Å; Q661-A664 PolarHBondContact O-N 2.73Å; Q661-A664 VanDerWaalsContact O-N 3.1Å; Q661-D665 PolarHBondContact O-N 3.27Å; Q661-N681 PolarHBondContact NE2-OD1 2.96Å; Q661-N683 PolarHBondContact NE2-O 3.48Å; Q661-N684 WeakPolarHBondContact CG-O 3.13Å; Q661-N684 PolarHBondContact NE2-O 2.95Å
662D91.3Very high92.4Very high112 Ų11225.1 Ų25.160%0.59913%0.13SC*.Hα-helixtrans-65.9-36.7-179-56.9-55.1000112.2S660 R666S660-D662 PolarHBondContact OG-N 3Å; D662-R666 WeakPolarHBondContact O-CB 3.44Å; D662-R666 VanDerWaalsContact O-CG 3.25Å; D662-R666 WeakPolarHBondContact O-CG 3.47Å; D662-R666 PolarHBondContact O-N 3.29Å; D662-R666 PolarHBondContact O-NE 2.75Å; D662-R666 VanDerWaalsContact O-NE 3.16Å
663E92.1Very high91.5Very high0 Ų027.5 Ų27.50%014%0.14CC..Hα-helixtrans-69.4-37170.8-179.869.7-158.600111.7D125 E126 I659 S660 Q661 R666 R667D125-E663 WeakPolarHBondContact CA-OE2 3.19Å; E126-E663 PolarHBondContact N-OE2 3.04Å; I659-E663 HydrophobicContact CB-CB 4.01Å; I659-E663 HydrophobicContact CB-CG 3.68Å; I659-E663 HydrophobicContact CD1-CG 4.06Å; I659-E663 HydrophobicContact CG1-CG 4.42Å; I659-E663 HydrophobicContact CG2-CG 3.77Å; S660-E663 WeakPolarHBondContact OG-CB 3.33Å; S660-E663 PolarHBondContact OG-N 3.03Å; Q661-E663 PolarHBondContact O-N 2.76Å; E663-R666 PolarHBondContact O-N 3.39Å; E663-R666 IonicContact OE2-CZ 3.3Å; E663-R666 IonicContact OE2-NH1 2.71Å; E663-R666 PolarHBondContact OE2-NH1 3.39Å; E663-R666 IonicContact OE2-NH2 2.64Å; E663-R666 PolarHBondContact OE2-NH2 3.2Å; E663-R667 WeakPolarHBondContact O-CB 3.32Å; E663-R667 WeakPolarHBondContact O-CG 3.24Å; E663-R667 PolarHBondContact O-N 3.45Å; E663-R667 IonicContact OE1-CZ 3.86Å; E663-R667 IonicContact OE1-NE 3.9Å; E663-R667 PolarHBondContact OE1-NE 2.98Å; E663-R667 IonicContact OE1-NH2 3.68Å; E663-R667 PolarHBondContact OE1-NH2 2.99Å
664A91.8Very high90.6Very high4 Ų431.1 Ų31.13%0.03315%0.154CC..Hα-helixtrans-66.6-39.9176.200000112I659 S660 Q661 G668 L679 V687I659-A664 HydrophobicContact CD1-CB 3.86Å; I659-A664 HydrophobicContact CG1-CB 4.33Å; S660-A664 WeakPolarHBondContact O-CB 3.41Å; S660-A664 PolarHBondContact O-N 2.82Å; S660-A664 VanDerWaalsContact O-N 3.11Å; Q661-A664 WeakPolarHBondContact O-CB 2.86Å; Q661-A664 PolarHBondContact O-N 2.73Å; Q661-A664 VanDerWaalsContact O-N 3.1Å; A664-G668 WeakPolarHBondContact O-CA 3.04Å; A664-G668 PolarHBondContact O-N 3.45Å; A664-L679 HydrophobicContact CB-CD1 4.46Å; A664-L679 WeakPolarHBondContact O-CD1 2.85Å; A664-V687 HydrophobicContact CB-CB 3.75Å; A664-V687 HydrophobicContact CB-CG1 4.03Å; A664-V687 HydrophobicContact CB-CG2 3.53Å
665D89.9Confident89.7Confident106 Ų10635.9 Ų35.957%0.56718%0.178SC*.Hα-helixtrans-68.4-42.7174.7-80.2-6.6000111.6Q661 R667 G668 K669Q661-D665 PolarHBondContact O-N 3.27Å; D665-R667 PolarHBondContact O-N 2.99Å; D665-G668 PolarHBondContact O-N 3.23Å; D665-K669 PolarHBondContact O-N 3.21Å
666R88.6Confident88.9Confident27 Ų2738.3 Ų38.310%0.10219%0.194CC..Hα-helixtrans-61.7-42.5175.9-76-179.7-68101.32.1112.2D125 E126 N153 Y154 D662 E663D125-R666 IonicContact OD2-NH2 2.68Å; D125-R666 PolarHBondContact OD2-NH2 3.16Å; E126-R666 PolarHBondContact O-NH1 3.49Å; N153-R666 HydrophobicContact CB-CG 3.9Å; N153-R666 VanDerWaalsContact O-CD 3.28Å; N153-R666 WeakPolarHBondContact O-CD 3.14Å; Y154-R666 HydrophobicContact CE2-CB 4.35Å; D662-R666 WeakPolarHBondContact O-CB 3.44Å; D662-R666 VanDerWaalsContact O-CG 3.25Å; D662-R666 WeakPolarHBondContact O-CG 3.47Å; D662-R666 PolarHBondContact O-N 3.29Å; D662-R666 PolarHBondContact O-NE 2.75Å; D662-R666 VanDerWaalsContact O-NE 3.16Å; E663-R666 PolarHBondContact O-N 3.39Å; E663-R666 IonicContact OE2-CZ 3.3Å; E663-R666 IonicContact OE2-NH1 2.71Å; E663-R666 PolarHBondContact OE2-NH1 3.39Å; E663-R666 IonicContact OE2-NH2 2.64Å; E663-R666 PolarHBondContact OE2-NH2 3.2Å
667R90.6Very high88.4Confident6 Ų639.2 Ų39.22%0.02320%0.201CC..Hα-helixtrans-68.5-39.9170.9-71.7-179.9-170.7-160.36.9112.5E657 E663 D665 K669 V670 Y671 D689E657-R667 IonicContact OE2-CZ 3.4Å; E657-R667 IonicContact OE2-NH1 3.23Å; E657-R667 PolarHBondContact OE2-NH1 3.25Å; E657-R667 IonicContact OE2-NH2 3.88Å; E663-R667 WeakPolarHBondContact O-CB 3.32Å; E663-R667 WeakPolarHBondContact O-CG 3.24Å; E663-R667 PolarHBondContact O-N 3.45Å; E663-R667 IonicContact OE1-CZ 3.86Å; E663-R667 IonicContact OE1-NE 3.9Å; E663-R667 PolarHBondContact OE1-NE 2.98Å; E663-R667 IonicContact OE1-NH2 3.68Å; E663-R667 PolarHBondContact OE1-NH2 2.99Å; D665-R667 PolarHBondContact O-N 2.99Å; R667-K669 VanDerWaalsContact C-N 3.34Å; R667-K669 PolarHBondContact O-N 3.39Å; R667-V670 WeakPolarHBondContact O-CB 3.49Å; R667-V670 PolarHBondContact O-N 2.71Å; R667-Y671 HydrophobicContact CB-CD2 4.28Å; R667-Y671 HydrophobicContact CB-CE2 3.74Å; R667-Y671 PolarHBondContact O-N 3.3Å; R667-D689 IonicContact CZ-OD2 3Å; R667-D689 IonicContact NH1-OD2 3.88Å; R667-D689 PolarHBondContact NH1-OD2 3.24Å
668G87.9Confident88Confident10 Ų1041 Ų4110%0.10321%0.208CC..Hα-helixtrans-53.3-47.2-176.100000112.3A664 D665 V670 Y671 D672A664-G668 WeakPolarHBondContact O-CA 3.04Å; A664-G668 PolarHBondContact O-N 3.45Å; D665-G668 PolarHBondContact O-N 3.23Å; G668-V670 VanDerWaalsContact C-N 3.27Å; G668-V670 PolarHBondContact O-N 3.38Å; G668-Y671 PolarHBondContact O-N 2.96Å; G668-Y671 VanDerWaalsContact O-N 3.11Å; G668-D672 VanDerWaalsContact O-CB 3.23Å; G668-D672 WeakPolarHBondContact O-CB 3.24Å; G668-D672 PolarHBondContact O-N 3.04Å
669K84.9Confident87.8Confident62 Ų6242.7 Ų42.727%0.2722%0.217SC..Hα-helixtrans-58.2-36.1178-65.2-177-175-167.80113.5F146 E149 N153 D665 R667 K673F146-K669 WeakPolarHBondContact CE2-O 3.45Å; E149-K669 WeakPolarHBondContact OE1-CE 3.48Å; E149-K669 IonicContact OE1-NZ 3.75Å; E149-K669 PolarHBondContact OE1-NZ 2.88Å; N153-K669 WeakPolarHBondContact ND2-CD 3.47Å; N153-K669 PolarHBondContact OD1-NZ 2.94Å; D665-K669 PolarHBondContact O-N 3.21Å; R667-K669 VanDerWaalsContact C-N 3.34Å; R667-K669 PolarHBondContact O-N 3.39Å; K669-K673 PolarHBondContact O-N 3.05Å
670V85.4Confident87.6Confident21 Ų2144.6 Ų44.613%0.12723%0.225CC..Hα-helixtrans-72.3-44.4176.1-179.60000110.7P133 L150 R667 G668 D672 K673 Y674P133-V670 HydrophobicContact CB-CG1 4.37Å; P133-V670 HydrophobicContact CG-CG1 3.84Å; P133-V670 HydrophobicContact CG-CG2 4.25Å; L150-V670 HydrophobicContact CD1-CG2 3.65Å; L150-V670 HydrophobicContact CD2-CG2 4.26Å; R667-V670 WeakPolarHBondContact O-CB 3.49Å; R667-V670 PolarHBondContact O-N 2.71Å; G668-V670 VanDerWaalsContact C-N 3.27Å; G668-V670 PolarHBondContact O-N 3.38Å; V670-D672 VanDerWaalsContact C-N 3.29Å; V670-D672 PolarHBondContact O-N 3.29Å; V670-K673 PolarHBondContact O-N 2.85Å; V670-Y674 HydrophobicContact CG1-CD2 3.82Å; V670-Y674 HydrophobicContact CG1-CE2 3.7Å; V670-Y674 VanDerWaalsContact O-CD2 3.3Å; V670-Y674 WeakPolarHBondContact O-CD2 3.45Å; V670-Y674 PolarHBondContact O-N 3.26Å; V670-Y674 VanDerWaalsContact O-N 3.14Å
671Y87.6Confident87.4Confident25 Ų2548.5 Ų48.510%0.09825%0.245CC..Hα-helixtrans-64.5-35178.2-63.2-10.5000112.5R667 G668 K673 Y674 M675 C676 L679 D689 T691R667-Y671 HydrophobicContact CB-CD2 4.28Å; R667-Y671 HydrophobicContact CB-CE2 3.74Å; R667-Y671 PolarHBondContact O-N 3.3Å; G668-Y671 PolarHBondContact O-N 2.96Å; G668-Y671 VanDerWaalsContact O-N 3.11Å; Y671-K673 VanDerWaalsContact C-N 3.28Å; Y671-K673 PolarHBondContact O-N 3.44Å; Y671-Y674 CarbonylContact O-C 3.6Å; Y671-Y674 PolarHBondContact O-N 3.01Å; Y671-M675 PolarHBondContact O-N 3.47Å; Y671-M675 VanDerWaalsContact O-N 3.1Å; Y671-C676 WeakPolarHBondContact CB-O 3.44Å; Y671-C676 PolarHBondContact O-N 2.77Å; Y671-C676 VanDerWaalsContact O-N 3.13Å; Y671-L679 HydrophobicContact CD2-CD1 4.15Å; Y671-L679 HydrophobicContact CD2-CD2 4.41Å; Y671-L679 HydrophobicContact CD2-CG 4.05Å; Y671-L679 HydrophobicContact CE2-CD2 4.06Å; Y671-L679 HydrophobicContact CE2-CG 4.2Å; Y671-D689 PolarHBondContact OH-OD2 2.73Å; Y671-T691 HydrophobicContact CE1-CG2 3.92Å; Y671-T691 HydrophobicContact CE2-CG2 4.37Å; Y671-T691 WeakPolarHBondContact CE2-OG1 3.46Å
672D83.4Confident87.3Confident60 Ų6046.8 Ų46.832%0.32124%0.238SC..Hα-helixtrans-65.4-27.5175.3-88.99.5000113.5G668 V670 K748 Y749G668-D672 VanDerWaalsContact O-CB 3.23Å; G668-D672 WeakPolarHBondContact O-CB 3.24Å; G668-D672 PolarHBondContact O-N 3.04Å; V670-D672 VanDerWaalsContact C-N 3.29Å; V670-D672 PolarHBondContact O-N 3.29Å; D672-K748 VanDerWaalsContact CB-NZ 3.33Å; D672-K748 WeakPolarHBondContact O-CE 3.32Å; D672-K748 PolarHBondContact O-NZ 2.94Å; D672-K748 IonicContact OD1-NZ 2.77Å; D672-K748 IonicContact OD2-NZ 3.25Å; D672-Y749 WeakPolarHBondContact CA-OH 3.41Å; D672-Y749 VanDerWaalsContact CG-OH 3.23Å; D672-Y749 PolarHBondContact OD1-OH 3.38Å
673K79.9Confident87.3Confident51 Ų5142 Ų4222%0.22221%0.212CC..Hα-helixtrans-87.8-29.9176.2-171.860.3171.8173.60111.9M135 D143 F146 K669 V670 Y671 M675M135-K673 HydrophobicContact SD-CB 4.42Å; M135-K673 HydrophobicContact SD-CD 4.38Å; M135-K673 HydrophobicContact SD-CG 3.39Å; M135-K673 WeakPolarHBondContact SD-CG 3.37Å; D143-K673 IonicContact OD2-NZ 2.73Å; D143-K673 PolarHBondContact OD2-NZ 3.07Å; F146-K673 HydrophobicContact CE1-CB 4.44Å; F146-K673 HydrophobicContact CE1-CG 4.17Å; F146-K673 HydrophobicContact CE2-CB 3.92Å; F146-K673 HydrophobicContact CE2-CG 4.28Å; F146-K673 HydrophobicContact CZ-CB 3.82Å; F146-K673 HydrophobicContact CZ-CG 4.04Å; K669-K673 PolarHBondContact O-N 3.05Å; V670-K673 PolarHBondContact O-N 2.85Å; Y671-K673 VanDerWaalsContact C-N 3.28Å; Y671-K673 PolarHBondContact O-N 3.44Å; K673-M675 VanDerWaalsContact C-N 3.26Å; K673-M675 PolarHBondContact O-N 3.22Å
674Y78.7Confident87.1Confident84 Ų8444.1 Ų44.133%0.32922%0.223SC..THydrogen-bonded Turntrans-79.70.8170-75.2-62.3000114.7P133 Y134 M135 V670 Y671 C676P133-Y674 HydrophobicContact CB-CE2 4.07Å; P133-Y674 WeakPolarHBondContact CB-OH 3.15Å; Y134-Y674 PolarHBondContact O-OH 2.96Å; M135-Y674 HydrophobicContact CG-CE1 4.41Å; V670-Y674 HydrophobicContact CG1-CD2 3.82Å; V670-Y674 HydrophobicContact CG1-CE2 3.7Å; V670-Y674 VanDerWaalsContact O-CD2 3.3Å; V670-Y674 WeakPolarHBondContact O-CD2 3.45Å; V670-Y674 PolarHBondContact O-N 3.26Å; V670-Y674 VanDerWaalsContact O-N 3.14Å; Y671-Y674 CarbonylContact O-C 3.6Å; Y671-Y674 PolarHBondContact O-N 3.01Å; Y674-C676 PolarHBondContact O-N 3.09Å
675M79.3Confident87.1Confident106 Ų10646.8 Ų46.852%0.52224%0.237SC..THydrogen-bonded Turntrans57.927.7-179.4-56.6-62.6172.900114.3Y671 K673 K748 Y749Y671-M675 PolarHBondContact O-N 3.47Å; Y671-M675 VanDerWaalsContact O-N 3.1Å; K673-M675 VanDerWaalsContact C-N 3.26Å; K673-M675 PolarHBondContact O-N 3.22Å; M675-K748 HydrophobicContact SD-CD 4.22Å; M675-K748 WeakPolarHBondContact SD-CE 3.12Å; M675-K748 HydrophobicContact SD-CG 3.67Å; M675-Y749 WeakPolarHBondContact O-CD1 3.27Å
676C80.2Confident87.3Confident52 Ų5243.4 Ų43.435%0.35122%0.217SC..  trans-151.3119.3177.260.50000112.5Y671 Y674Y671-C676 WeakPolarHBondContact CB-O 3.44Å; Y671-C676 PolarHBondContact O-N 2.77Å; Y671-C676 VanDerWaalsContact O-N 3.13Å; Y674-C676 PolarHBondContact O-N 3.09Å
677S86Confident87.7Confident19 Ų1942.2 Ų42.213%0.13321%0.213CC..  trans-121.8134.9176.7-178.40000111.4L679S677-L679 PolarHBondContact OG-N 2.82Å
678F90.4Very high87.9Confident41 Ų4141.9 Ų41.918%0.1821%0.212CC..  trans-115.524.3174-56.9-87.8000111.9Y654 A690 T691 R698Y654-F678 PolarHBondContact OH-O 3.2Å; F678-A690 HydrophobicContact CB-CB 4.12Å; F678-A690 PolarHBondContact O-N 2.75Å; F678-T691 HydrophobicContact CD2-CG2 4.3Å; F678-R698 VanDerWaalsContact CD2-NH2 3.28Å; F678-R698 WeakPolarHBondContact CE1-O 3.41Å
679L91.9Very high88.3Confident46 Ų4641.4 Ų41.424%0.24121%0.207CC..EExtended strand (participates in β ladder)trans-79.8124.4176.1-61.4177.4000110.2I659 A664 Y671 S677 V687 D689I659-L679 HydrophobicContact CD1-CD2 4.1Å; A664-L679 HydrophobicContact CB-CD1 4.46Å; A664-L679 WeakPolarHBondContact O-CD1 2.85Å; Y671-L679 HydrophobicContact CD2-CD1 4.15Å; Y671-L679 HydrophobicContact CD2-CD2 4.41Å; Y671-L679 HydrophobicContact CD2-CG 4.05Å; Y671-L679 HydrophobicContact CE2-CD2 4.06Å; Y671-L679 HydrophobicContact CE2-CG 4.2Å; S677-L679 PolarHBondContact OG-N 2.82Å; L679-V687 HydrophobicContact CB-CG1 4.07Å; L679-V687 HydrophobicContact CD2-CG1 4.24Å; L679-D689 HydrophobicContact CD2-CB 3.63Å
680F92.1Very high88.9Confident40 Ų4038.5 Ų38.518%0.17519%0.194CC..EExtended strand (participates in β ladder)trans-122.4114.1174.6-161.9-65.6000110.3Y654 L682 V688 A710 V712 I721 F737Y654-F680 HydrophobicContact CD1-CB 4.29Å; Y654-F680 HydrophobicContact CE1-CB 4.03Å; F680-L682 PolarHBondContact O-N 3.16Å; F680-V688 PolarHBondContact N-O 2.72Å; F680-V688 PolarHBondContact O-N 2.69Å; F680-A710 HydrophobicContact CE2-CB 3.64Å; F680-A710 HydrophobicContact CZ-CB 3.46Å; F680-A710 VanDerWaalsContact CZ-CB 3.46Å; F680-V712 HydrophobicContact CE1-CG2 4.41Å; F680-I721 HydrophobicContact CB-CD1 3.88Å; F680-I721 HydrophobicContact CD1-CD1 3.37Å; F680-I721 HydrophobicContact CD1-CG1 3.81Å; F680-I721 HydrophobicContact CD1-CG2 4.35Å; F680-I721 HydrophobicContact CE1-CD1 4.12Å; F680-I721 HydrophobicContact CE1-CG1 4.05Å; F680-I721 HydrophobicContact CE1-CG2 4.13Å; F680-I721 HydrophobicContact CE2-CG2 4.41Å; F680-I721 HydrophobicContact CG-CD1 3.71Å; F680-I721 HydrophobicContact CG-CG1 4.48Å; F680-I721 HydrophobicContact CZ-CG2 4.17Å; F680-F737 HydrophobicContact CD2-CE2 4.12Å; F680-F737 HydrophobicContact CE2-CD2 4.47Å; F680-F737 AromaticContact CE2-CE2 3.79Å; F680-F737 HydrophobicContact CE2-CE2 3.79Å
681N91.3Very high89.3Confident99 Ų9938.9 Ų38.953%0.52920%0.197SC..EExtended strand (participates in β ladder)trans-64.4120-177.6-126.3-50.8000111.2Q661Q661-N681 PolarHBondContact NE2-OD1 2.96Å
682L90.5Very high89.6Confident12 Ų1241.8 Ų41.86%0.06321%0.207CC..EExtended strand (participates in β ladder)trans-99.6-45.7-169.8-178.871.3000112.3F680 F686 V688 V712 H719 I721F680-L682 PolarHBondContact O-N 3.16Å; L682-F686 WeakPolarHBondContact CB-O 2.93Å; L682-F686 PolarHBondContact N-O 3.42Å; L682-V688 HydrophobicContact CB-CG2 4.06Å; L682-V688 HydrophobicContact CD1-CG2 4.14Å; L682-V688 HydrophobicContact CD2-CG2 3.87Å; L682-V688 HydrophobicContact CG-CG2 4.24Å; L682-V712 HydrophobicContact CD1-CG1 4.11Å; L682-V712 HydrophobicContact CD1-CG2 4.42Å; L682-H719 HydrophobicContact CD1-CB 3.9Å; L682-H719 HydrophobicContact CD2-CB 3.96Å; L682-H719 HydrophobicContact CG-CB 3.78Å; L682-I721 HydrophobicContact CD1-CD1 4.01Å; L682-I721 HydrophobicContact CD1-CG1 3.68Å
683N90.1Very high90.2Very high10 Ų1041.1 Ų41.15%0.05320%0.202CC..EExtended strand (participates in β ladder)trans-162.6177.5176.66279.9000108.1V530 Q661 D685 F686V530-N683 WeakPolarHBondContact O-CB 3.49Å; Q661-N683 PolarHBondContact NE2-O 3.48Å; N683-D685 PolarHBondContact O-N 3.25Å; N683-D685 VanDerWaalsContact O-N 3.15Å; N683-D685 WeakPolarHBondContact OD1-CB 3.47Å; N683-D685 PolarHBondContact OD1-N 2.92Å; N683-F686 PolarHBondContact N-O 3.49Å; N683-F686 PolarHBondContact O-N 2.9Å; N683-F686 PolarHBondContact OD1-N 2.72Å
684N89.6Confident91.1Very high45 Ų4538.7 Ų38.724%0.24119%0.191CC..THydrogen-bonded Turntrans-55.7-34.6-177.7-64.2-5.5000113.3H529 V530 Y531 Q661H529-N684 WeakPolarHBondContact CA-OD1 3.33Å; H529-N684 VanDerWaalsContact CB-ND2 3.35Å; H529-N684 WeakPolarHBondContact CB-ND2 3.23Å; V530-N684 PolarHBondContact N-ND2 3.01Å; V530-N684 PolarHBondContact N-OD1 3.36Å; V530-N684 WeakPolarHBondContact O-CB 3.15Å; V530-N684 PolarHBondContact O-N 3.44Å; V530-N684 PolarHBondContact O-OD1 3.19Å; Y531-N684 HydrophobicContact CD1-CB 4.07Å; Y531-N684 WeakPolarHBondContact CD1-ND2 3.26Å; Y531-N684 HydrophobicContact CE1-CB 4.14Å; Y531-N684 WeakPolarHBondContact CE1-ND2 3.32Å; Q661-N684 WeakPolarHBondContact CG-O 3.13Å; Q661-N684 PolarHBondContact NE2-O 2.95Å
685D90.6Very high92Very high60 Ų6035.2 Ų35.232%0.32118%0.178SC..THydrogen-bonded Turntrans-92.4-19.4-168.5-42.1-37.9000111.8Y531 N532 N683Y531-D685 WeakPolarHBondContact CD1-OD1 3.44Å; N532-D685 HydrophobicContact CB-CB 4.5Å; N532-D685 VanDerWaalsContact CB-OD2 3.28Å; N532-D685 WeakPolarHBondContact CB-OD2 3.41Å; N532-D685 PolarHBondContact N-OD2 3.4Å; N683-D685 PolarHBondContact O-N 3.25Å; N683-D685 VanDerWaalsContact O-N 3.15Å; N683-D685 WeakPolarHBondContact OD1-CB 3.47Å; N683-D685 PolarHBondContact OD1-N 2.92Å
686F95.1Very high92.8Very high35 Ų3534.9 Ų34.915%0.15417%0.174CC..EExtended strand (participates in β ladder)trans-146.9147-169.5-62.9-76.6000114.5M122 N532 I658 I659 L682 N683M122-F686 HydrophobicContact CE-CD1 4.21Å; M122-F686 HydrophobicContact CE-CE1 3.8Å; M122-F686 HydrophobicContact CE-CZ 4.11Å; M122-F686 HydrophobicContact SD-CD1 4.19Å; M122-F686 HydrophobicContact SD-CE1 3.82Å; N532-F686 HydrophobicContact CB-CD2 4.02Å; N532-F686 HydrophobicContact CB-CE2 3.99Å; N532-F686 VanDerWaalsContact ND2-CE2 3.32Å; N532-F686 WeakPolarHBondContact ND2-CE2 3.35Å; I658-F686 HydrophobicContact CG2-CB 3.61Å; I658-F686 HydrophobicContact CG2-CD1 3.6Å; I658-F686 HydrophobicContact CG2-CG 3.74Å; I659-F686 CarbonylContact O-C 3.43Å; I659-F686 VanDerWaalsContact O-CA 3.27Å; I659-F686 WeakPolarHBondContact O-CA 3.48Å; L682-F686 WeakPolarHBondContact CB-O 2.93Å; L682-F686 PolarHBondContact N-O 3.42Å; N683-F686 PolarHBondContact N-O 3.49Å; N683-F686 PolarHBondContact O-N 2.9Å; N683-F686 PolarHBondContact OD1-N 2.72Å
687V95.3Very high93.7Very high2 Ų232.4 Ų32.41%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-114.8152.2171.7-175.60000109.5I658 I659 A664 L679I658-V687 WeakPolarHBondContact CA-O 3.23Å; I659-V687 HydrophobicContact CG1-CB 4.15Å; I659-V687 PolarHBondContact N-O 3.4Å; I659-V687 PolarHBondContact O-N 3.44Å; A664-V687 HydrophobicContact CB-CB 3.75Å; A664-V687 HydrophobicContact CB-CG1 4.03Å; A664-V687 HydrophobicContact CB-CG2 3.53Å; L679-V687 HydrophobicContact CB-CG1 4.07Å; L679-V687 HydrophobicContact CD2-CG1 4.24Å
688V96.6Very high94.1Very high0 Ų032.3 Ų32.30%015%0.154CC..EExtended strand (participates in β ladder)trans-102.7113169.3174.20000109.5N120 Y654 E657 F680 L682 I721N120-V688 WeakPolarHBondContact ND2-CG2 3.37Å; Y654-V688 HydrophobicContact CD1-CG1 4.21Å; Y654-V688 HydrophobicContact CE1-CG1 4.47Å; E657-V688 CarbonylContact O-C 3.59Å; E657-V688 VanDerWaalsContact O-CA 3.26Å; E657-V688 WeakPolarHBondContact O-CA 3.48Å; F680-V688 PolarHBondContact N-O 2.72Å; F680-V688 PolarHBondContact O-N 2.69Å; L682-V688 HydrophobicContact CB-CG2 4.06Å; L682-V688 HydrophobicContact CD1-CG2 4.14Å; L682-V688 HydrophobicContact CD2-CG2 3.87Å; L682-V688 HydrophobicContact CG-CG2 4.24Å; V688-I721 HydrophobicContact CB-CD1 3.83Å; V688-I721 HydrophobicContact CG1-CD1 4.25Å; V688-I721 HydrophobicContact CG2-CD1 3.87Å
689D96.3Very high94.4Very high0 Ų031 Ų310%015%0.148CC..EExtended strand (participates in β ladder)trans-97.6110.4175.217624.3000110.7G656 E657 I659 R667 Y671 L679 T691G656-D689 CarbonylContact C-O 3.41Å; G656-D689 VanDerWaalsContact CA-O 3.3Å; G656-D689 WeakPolarHBondContact CA-O 3.32Å; E657-D689 PolarHBondContact N-O 3.37Å; E657-D689 PolarHBondContact O-N 2.88Å; I659-D689 HydrophobicContact CD1-CB 3.77Å; I659-D689 HydrophobicContact CG1-CB 4.37Å; R667-D689 IonicContact CZ-OD2 3Å; R667-D689 IonicContact NH1-OD2 3.88Å; R667-D689 PolarHBondContact NH1-OD2 3.24Å; Y671-D689 PolarHBondContact OH-OD2 2.73Å; L679-D689 HydrophobicContact CD2-CB 3.63Å; D689-T691 VanDerWaalsContact C-N 3.3Å; D689-T691 WeakPolarHBondContact OD1-CB 3.46Å; D689-T691 PolarHBondContact OD1-N 3.3Å; D689-T691 PolarHBondContact OD1-OG1 3.37Å
690A96.5Very high94.7Very high0 Ų028.9 Ų28.90%014%0.137CC..EExtended strand (participates in β ladder)trans-85.94.517500000114Y654 F678 K693 R698Y654-A690 HydrophobicContact CD1-CB 4.47Å; Y654-A690 HydrophobicContact CE1-CB 3.58Å; F678-A690 HydrophobicContact CB-CB 4.12Å; F678-A690 PolarHBondContact O-N 2.75Å; A690-K693 CarbonylContact C-O 3.52Å; A690-K693 WeakPolarHBondContact CA-O 3.47Å; A690-R698 HydrophobicContact CB-CB 4.06Å; A690-R698 PolarHBondContact O-NE 3.05Å; A690-R698 PolarHBondContact O-NH1 2.81Å; A690-R698 PolarHBondContact O-NH2 3.21Å
691T93.6Very high94.7Very high30 Ų3028.4 Ų28.418%0.18414%0.136CC..EExtended strand (participates in β ladder)trans-65.3-59-170.9-53.70000112.5Y671 F678 D689 R698Y671-T691 HydrophobicContact CE1-CG2 3.92Å; Y671-T691 HydrophobicContact CE2-CG2 4.37Å; Y671-T691 WeakPolarHBondContact CE2-OG1 3.46Å; F678-T691 HydrophobicContact CD2-CG2 4.3Å; D689-T691 VanDerWaalsContact C-N 3.3Å; D689-T691 WeakPolarHBondContact OD1-CB 3.46Å; D689-T691 PolarHBondContact OD1-N 3.3Å; D689-T691 PolarHBondContact OD1-OG1 3.37Å; T691-R698 PolarHBondContact O-NH1 3.34Å; T691-R698 PolarHBondContact O-NH2 3.46Å
692R94.3Very high94.7Very high85 Ų8524.8 Ų24.832%0.32112%0.116SC..EExtended strand (participates in β ladder)trans-82-42-176.2-60.2178.9178.5-176.40.2112.8W114 S115 E126 E657W114-R692 VanDerWaalsContact CA-O 3.3Å; W114-R692 WeakPolarHBondContact CA-O 3.21Å; S115-R692 PolarHBondContact N-O 3.14Å; S115-R692 VanDerWaalsContact N-O 3.09Å; E126-R692 IonicContact OE1-CZ 3.36Å; E126-R692 IonicContact OE1-NH1 3.55Å; E126-R692 PolarHBondContact OE1-NH1 2.86Å; E126-R692 IonicContact OE1-NH2 2.67Å; E126-R692 PolarHBondContact OE1-NH2 2.67Å; E126-R692 IonicContact OE2-CZ 3.92Å; E126-R692 IonicContact OE2-NH1 2.83Å; E126-R692 IonicContact OE2-NH2 3.18Å; E126-R692 PolarHBondContact OE2-NH2 2.9Å; E657-R692 WeakPolarHBondContact OE2-CD 3.49Å
693K96.9Very high94.6Very high47 Ų4725.6 Ų25.620%0.20412%0.123CC..EExtended strand (participates in β ladder)trans-132.2139177.7-49.3-176.8-174.1119.60108S115 L117 F121 G656 E657 A690S115-K693 CarbonylContact O-C 3.53Å; S115-K693 WeakPolarHBondContact O-CA 3.25Å; L117-K693 HydrophobicContact CD1-CB 3.69Å; L117-K693 HydrophobicContact CD2-CB 4.35Å; L117-K693 HydrophobicContact CG-CB 3.94Å; F121-K693 HydrophobicContact CD1-CD 4.42Å; F121-K693 HydrophobicContact CG-CD 4.37Å; G656-K693 WeakPolarHBondContact CA-O 3.34Å; E657-K693 HydrophobicContact CG-CB 3.85Å; E657-K693 HydrophobicContact CG-CD 4.04Å; E657-K693 HydrophobicContact CG-CG 3.92Å; E657-K693 WeakPolarHBondContact OE1-CD 3.42Å; E657-K693 WeakPolarHBondContact OE1-CE 3.37Å; E657-K693 VanDerWaalsContact OE1-CG 3.29Å; E657-K693 WeakPolarHBondContact OE1-CG 3.34Å; E657-K693 IonicContact OE1-NZ 2.83Å; E657-K693 PolarHBondContact OE1-NZ 3.2Å; A690-K693 CarbonylContact C-O 3.52Å; A690-K693 WeakPolarHBondContact CA-O 3.47Å
694G97.2Very high94.4Very high0 Ų028.4 Ų28.40%014%0.14CC..EExtended strand (participates in β ladder)trans-173.3-164.1-176.600000113.8W114 S115 P116 L117 C655W114-G694 WeakPolarHBondContact CZ3-O 3.22Å; S115-G694 PolarHBondContact O-N 3.1Å; P116-G694 CarbonylContact C-O 3.49Å; P116-G694 WeakPolarHBondContact CA-O 3.37Å; L117-G694 PolarHBondContact N-O 3.46Å; C655-G694 WeakPolarHBondContact O-CA 3.39Å
695N97.3Very high94.4Very high11 Ų1132.8 Ų32.86%0.05916%0.164CC..  trans-136.2176.31768022.5000112.2L117 E653 C655 I697 R698L117-N695 WeakPolarHBondContact O-CB 3.48Å; E653-N695 PolarHBondContact O-ND2 3.08Å; E653-N695 PolarHBondContact O-OD1 3.16Å; C655-N695 HydrophobicContact CB-CB 4.24Å; C655-N695 WeakPolarHBondContact CB-ND2 3.48Å; C655-N695 PolarHBondContact N-ND2 3.43Å; C655-N695 PolarHBondContact SG-ND2 2.88Å; N695-I697 PolarHBondContact O-N 3.3Å; N695-I697 WeakPolarHBondContact OD1-CG2 3.19Å; N695-I697 PolarHBondContact OD1-N 3.31Å; N695-I697 VanDerWaalsContact OD1-N 3.11Å; N695-R698 WeakPolarHBondContact O-CB 3.25Å; N695-R698 VanDerWaalsContact O-CG 3.28Å; N695-R698 WeakPolarHBondContact O-CG 3.34Å; N695-R698 PolarHBondContact O-N 3Å
696K97.7Very high94.6Very high99 Ų9930.4 Ų30.443%0.4315%0.151SC..G310 helixtrans-53.1-28.3-173-80.1-168.1168.8-1730115.7L627 I639 R698L627-K696 HydrophobicContact CB-CB 4.21Å; L627-K696 HydrophobicContact CB-CD 4.06Å; L627-K696 HydrophobicContact CD1-CB 4.08Å; L627-K696 WeakPolarHBondContact O-CD 3.18Å; L627-K696 PolarHBondContact O-NZ 3.19Å; I639-K696 HydrophobicContact CD1-CB 4.16Å; I639-K696 VanDerWaalsContact CD1-O 3.3Å; I639-K696 WeakPolarHBondContact CD1-O 3.31Å; I639-K696 WeakPolarHBondContact CG1-O 3.34Å; K696-R698 PolarHBondContact O-N 3.32Å
697I97.6Very high94.7Very high0 Ų029 Ų290%015%0.145CC..G310 helixtrans-76.6-3.3-179.2-152.469000112.9L627 I639 I651 E653 Y654 N695 F699 A700 I723 L735L627-I697 HydrophobicContact CD1-CB 4.18Å; L627-I697 HydrophobicContact CD1-CD1 3.68Å; L627-I697 HydrophobicContact CD1-CG1 4.49Å; L627-I697 HydrophobicContact CD2-CD1 4.41Å; I639-I697 HydrophobicContact CG2-CD1 4Å; I651-I697 HydrophobicContact CG2-CD1 4.14Å; E653-I697 VanDerWaalsContact O-CG2 3.28Å; E653-I697 WeakPolarHBondContact O-CG2 3.46Å; Y654-I697 HydrophobicContact CD2-CG2 3.9Å; Y654-I697 HydrophobicContact CG-CG2 4.29Å; N695-I697 PolarHBondContact O-N 3.3Å; N695-I697 WeakPolarHBondContact OD1-CG2 3.19Å; N695-I697 PolarHBondContact OD1-N 3.31Å; N695-I697 VanDerWaalsContact OD1-N 3.11Å; I697-F699 PolarHBondContact O-N 3.31Å; I697-F699 VanDerWaalsContact O-N 3.17Å; I697-A700 HydrophobicContact CD1-CB 3.97Å; I697-A700 HydrophobicContact CG1-CB 4.04Å; I697-A700 WeakPolarHBondContact O-CB 3.39Å; I697-A700 PolarHBondContact O-N 3.13Å; I697-A700 VanDerWaalsContact O-N 3.1Å; I697-I723 HydrophobicContact CG1-CB 4.29Å; I697-I723 HydrophobicContact CG1-CG1 4.01Å; I697-I723 HydrophobicContact CG1-CG2 4.26Å; I697-I723 HydrophobicContact CG2-CG1 4.12Å; I697-L735 HydrophobicContact CD1-CD1 3.78Å
698R96.2Very high94.8Very high16 Ų1628.9 Ų28.96%0.0615%0.145CC..G310 helixtrans-61.8-17.5171.278.9172.4-74.1-176.20.5114.2F678 A690 T691 N695 K696F678-R698 VanDerWaalsContact CD2-NH2 3.28Å; F678-R698 WeakPolarHBondContact CE1-O 3.41Å; A690-R698 HydrophobicContact CB-CB 4.06Å; A690-R698 PolarHBondContact O-NE 3.05Å; A690-R698 PolarHBondContact O-NH1 2.81Å; A690-R698 PolarHBondContact O-NH2 3.21Å; T691-R698 PolarHBondContact O-NH1 3.34Å; T691-R698 PolarHBondContact O-NH2 3.46Å; N695-R698 WeakPolarHBondContact O-CB 3.25Å; N695-R698 VanDerWaalsContact O-CG 3.28Å; N695-R698 WeakPolarHBondContact O-CG 3.34Å; N695-R698 PolarHBondContact O-N 3Å; K696-R698 PolarHBondContact O-N 3.32Å
699F96.8Very high94.8Very high15 Ų1531.8 Ų31.87%0.06616%0.156CC..G310 helixtrans-99.815.4178-54.8-76000112.4M111 W114 L629 W637 G638 I639 I697 N701M111-F699 HydrophobicContact CE-CE1 3.59Å; M111-F699 HydrophobicContact CE-CE2 4.46Å; M111-F699 HydrophobicContact CE-CZ 3.55Å; M111-F699 HydrophobicContact SD-CE1 4.48Å; M111-F699 HydrophobicContact SD-CZ 4.05Å; W114-F699 AromaticContact CE2-CZ 3.97Å; W114-F699 HydrophobicContact CH2-CE2 4.4Å; W114-F699 AromaticContact CZ2-CE2 3.69Å; W114-F699 HydrophobicContact CZ2-CE2 3.69Å; W114-F699 HydrophobicContact CZ2-CZ 4.11Å; W114-F699 AromaticContact NE1-CZ 3.69Å; L629-F699 HydrophobicContact CD1-CB 4.21Å; L629-F699 HydrophobicContact CD1-CD1 4.3Å; L629-F699 HydrophobicContact CD1-CD2 3.84Å; L629-F699 HydrophobicContact CD1-CE2 4.25Å; L629-F699 HydrophobicContact CD1-CG 3.87Å; W637-F699 HydrophobicContact CB-CD1 3.82Å; W637-F699 HydrophobicContact CB-CE1 4.32Å; G638-F699 CarbonylContact C-O 3.57Å; G638-F699 WeakPolarHBondContact CA-O 3.48Å; I639-F699 HydrophobicContact CB-CB 4.04Å; I639-F699 HydrophobicContact CD1-CB 4.4Å; I639-F699 PolarHBondContact N-O 3.49Å; I697-F699 PolarHBondContact O-N 3.31Å; I697-F699 VanDerWaalsContact O-N 3.17Å; F699-N701 PolarHBondContact O-N 3.33Å
700A96.2Very high94.7Very high1 Ų132.8 Ų32.81%0.00817%0.165CC..  trans-82.7107.4168.500000108.8I639 I697 L735 F737 Y739I639-A700 HydrophobicContact CG2-CB 3.65Å; I697-A700 HydrophobicContact CD1-CB 3.97Å; I697-A700 HydrophobicContact CG1-CB 4.04Å; I697-A700 WeakPolarHBondContact O-CB 3.39Å; I697-A700 PolarHBondContact O-N 3.13Å; I697-A700 VanDerWaalsContact O-N 3.1Å; A700-L735 CarbonylContact C-O 3.56Å; A700-L735 WeakPolarHBondContact CA-O 3.29Å; A700-L735 HydrophobicContact CB-CB 4.22Å; A700-L735 VanDerWaalsContact CB-O 3.3Å; A700-L735 WeakPolarHBondContact CB-O 3.37Å; A700-F737 HydrophobicContact CB-CD1 3.86Å; A700-F737 HydrophobicContact CB-CE1 3.98Å; A700-F737 VanDerWaalsContact O-CE1 3.22Å; A700-F737 WeakPolarHBondContact O-CE1 3.44Å; A700-Y739 PolarHBondContact O-OH 3.45Å; A700-Y739 VanDerWaalsContact O-OH 3.09Å
701N93.6Very high94.6Very high30 Ų3034.8 Ų34.816%0.1617%0.173CC..EExtended strand (participates in β ladder)trans-71.3166.3-167.1-78.7-53.8000113.9S632 W637 F699 E734 L735 F736 F737S632-N701 PolarHBondContact OG-ND2 3.04Å; W637-N701 PolarHBondContact O-ND2 3.35Å; F699-N701 PolarHBondContact O-N 3.33Å; N701-E734 PolarHBondContact ND2-OE1 2.74Å; N701-L735 PolarHBondContact N-O 3.21Å; N701-F736 HydrophobicContact CB-CD1 3.67Å; N701-F736 HydrophobicContact CB-CE1 3.76Å; N701-F736 CarbonylContact O-C 3.56Å; N701-F736 WeakPolarHBondContact O-CA 3.3Å; N701-F737 PolarHBondContact O-N 3.43Å
702H89.9Confident94.6Very high23 Ų2335.5 Ų35.511%0.10618%0.177CC..EExtended strand (participates in β ladder)trans-66.7142.7172.6-176.885.1000111.3F737 D738 Y739 Y741 V750H702-F737 WeakPolarHBondContact CA-O 3.24Å; H702-D738 IonicContact CE1-OD1 2.79Å; H702-Y739 HydrophobicContact CB-CD1 3.94Å; H702-Y739 HydrophobicContact CB-CD2 4.33Å; H702-Y739 HydrophobicContact CB-CE1 3.99Å; H702-Y739 HydrophobicContact CB-CE2 4.37Å; H702-Y739 HydrophobicContact CB-CG 4.12Å; H702-Y739 WeakPolarHBondContact ND1-CB 3.5Å; H702-Y739 AromaticContact ND1-CD1 3.76Å; H702-Y739 AromaticContact ND1-CG 3.54Å; H702-Y739 PolarHBondContact ND1-N 3.49Å; H702-Y741 AromaticContact ND1-CD2 3.9Å; H702-V750 HydrophobicContact CB-CG2 4.29Å; H702-V750 VanDerWaalsContact CD2-CG2 3.47Å; H702-V750 WeakPolarHBondContact CD2-CG2 3.49Å
703S88.3Confident94.6Very high28 Ų2831.6 Ų31.620%0.19616%0.163CC..  trans-155.4145.2157.7-179.40000110.2N705 P706 F737 D738S703-N705 VanDerWaalsContact C-N 3.27Å; S703-N705 PolarHBondContact OG-N 2.9Å; S703-N705 VanDerWaalsContact OG-N 3.11Å; S703-P706 VanDerWaalsContact O-CD 3.28Å; S703-P706 WeakPolarHBondContact O-CD 3.47Å; S703-F737 PolarHBondContact N-O 3.1Å; S703-D738 WeakPolarHBondContact O-CA 3.26Å
704V86.9Confident94.5Very high69 Ų6930 Ų3042%0.41816%0.156SC..SBendtrans-71.7-22.9168.9-53.20000112.5P706 E753V704-P706 WeakPolarHBondContact O-CD 3.35Å; V704-E753 VanDerWaalsContact CG2-OE1 3.25Å; V704-E753 WeakPolarHBondContact CG2-OE1 3.43Å
705N89.8Confident94.5Very high138 Ų13830 Ų3074%0.73816%0.157SC*.SBendtrans-112.552.6177.2-77.7-54.7000112.7S703S703-N705 VanDerWaalsContact C-N 3.27Å; S703-N705 PolarHBondContact OG-N 2.9Å; S703-N705 VanDerWaalsContact OG-N 3.11Å
706P94.8Very high94.4Very high9 Ų931.1 Ų31.16%0.05816%0.162CC..  trans-72.7152.5-166.131.6-37.6000113.2S703 V704 C708 K726 F736 D738S703-P706 VanDerWaalsContact O-CD 3.28Å; S703-P706 WeakPolarHBondContact O-CD 3.47Å; V704-P706 WeakPolarHBondContact O-CD 3.35Å; P706-C708 WeakPolarHBondContact CB-O 3.43Å; P706-K726 HydrophobicContact CG-CD 4.2Å; P706-K726 WeakPolarHBondContact O-CD 3.37Å; P706-F736 HydrophobicContact CB-CB 4.32Å; P706-F736 WeakPolarHBondContact CB-O 3.42Å; P706-D738 HydrophobicContact CG-CB 3.95Å
707N96.9Very high94.2Very high5 Ų526.4 Ų26.43%0.02714%0.142CC..SBendtrans-84.9-14.3169.464.66.9000113.3K726 R727 I729 E734 F736N707-K726 WeakPolarHBondContact O-CA 3.32Å; N707-K726 VanDerWaalsContact O-CB 3.24Å; N707-K726 WeakPolarHBondContact O-CB 3.42Å; N707-K726 PolarHBondContact O-N 3.28Å; N707-R727 HydrophobicContact CB-CG 4.22Å; N707-I729 HydrophobicContact CB-CD1 4.19Å; N707-I729 HydrophobicContact CB-CG1 4.4Å; N707-E734 PolarHBondContact ND2-O 3.03Å; N707-F736 PolarHBondContact N-O 2.97Å; N707-F736 PolarHBondContact OD1-N 3.12Å; N707-F736 PolarHBondContact OD1-O 2.96Å
708C97.9Very high94.1Very high1 Ų127.7 Ų27.71%0.00715%0.149CC..EExtended strand (participates in β ladder)trans-115.9171.9175.3-56.80000112.8I651 P706 I723 F724 F736 F737I651-C708 HydrophobicContact CD1-CB 4.45Å; I651-C708 WeakPolarHBondContact CD1-SG 3.44Å; P706-C708 WeakPolarHBondContact CB-O 3.43Å; C708-I723 HydrophobicContact CB-CG2 3.99Å; C708-F724 CarbonylContact C-O 3.59Å; C708-F724 VanDerWaalsContact CA-O 3.24Å; C708-F724 WeakPolarHBondContact CA-O 3.43Å; C708-F724 WeakPolarHBondContact CB-O 3.36Å; C708-F736 WeakPolarHBondContact CA-O 3.4Å; C708-F736 VanDerWaalsContact CB-O 3.24Å; C708-F736 WeakPolarHBondContact CB-O 3.42Å; C708-F736 PolarHBondContact N-O 2.68Å; C708-F737 HydrophobicContact CB-CB 4.26Å
709Y95.9Very high94.1Very high60 Ų6027.6 Ų27.624%0.23515%0.149CC..EExtended strand (participates in β ladder)trans-143.9145.6166.367.1-90.1000111N648 K711 F724 K726N648-Y709 PolarHBondContact OD1-OH 3.44Å; Y709-K711 HydrophobicContact CD2-CB 4.39Å; Y709-K711 HydrophobicContact CE2-CB 4.23Å; Y709-F724 HydrophobicContact CD1-CB 4.28Å; Y709-F724 HydrophobicContact CD2-CB 4.35Å; Y709-F724 HydrophobicContact CE1-CB 3.75Å; Y709-F724 HydrophobicContact CE2-CB 3.8Å; Y709-F724 HydrophobicContact CE2-CD2 4.08Å; Y709-F724 HydrophobicContact CE2-CG 4.19Å; Y709-F724 VanDerWaalsContact CZ-CB 3.47Å; Y709-F724 PolarHBondContact N-O 3.09Å; Y709-F724 PolarHBondContact O-N 3.03Å; Y709-K726 HydrophobicContact CD1-CB 3.96Å; Y709-K726 HydrophobicContact CD1-CG 4.28Å
710A95Very high94.1Very high22 Ų2228 Ų2818%0.18215%0.15CC..EExtended strand (participates in β ladder)trans-86.9147.1171.200000111.2F680 I721 G722 I723 F737F680-A710 HydrophobicContact CE2-CB 3.64Å; F680-A710 HydrophobicContact CZ-CB 3.46Å; F680-A710 VanDerWaalsContact CZ-CB 3.46Å; A710-I721 HydrophobicContact CB-CG2 4.21Å; A710-G722 CarbonylContact C-O 3.59Å; A710-G722 WeakPolarHBondContact CA-O 3.39Å; A710-I723 HydrophobicContact CB-CD1 3.62Å; A710-F737 HydrophobicContact CB-CD2 4.43Å
711K93.3Very high94.1Very high42 Ų4228 Ų2818%0.18315%0.15CC..EExtended strand (participates in β ladder)trans-147.6110.1175.7-173.5-169.9-178.9-152.50109.6Y709 M713 G722 F724Y709-K711 HydrophobicContact CD2-CB 4.39Å; Y709-K711 HydrophobicContact CE2-CB 4.23Å; K711-M713 HydrophobicContact CD-CG 4Å; K711-M713 HydrophobicContact CD-SD 3.9Å; K711-M713 HydrophobicContact CG-CG 4.03Å; K711-M713 PolarHBondContact NZ-SD 2.9Å; K711-M713 VanDerWaalsContact NZ-SD 3.38Å; K711-M713 PolarHBondContact O-N 3.42Å; K711-G722 PolarHBondContact N-O 3.23Å; K711-G722 PolarHBondContact O-N 3.39Å; K711-F724 HydrophobicContact CB-CD2 4.07Å; K711-F724 HydrophobicContact CB-CE2 3.98Å; K711-F724 HydrophobicContact CD-CE2 4.36Å
712V94.5Very high94.3Very high44 Ų4426.5 Ų26.527%0.26714%0.142SC..EExtended strand (participates in β ladder)trans-62131.2165.9-177.50000108.3V590 F680 L682 H719 R720 I721V590-V712 WeakPolarHBondContact CG1-O 3.46Å; F680-V712 HydrophobicContact CE1-CG2 4.41Å; L682-V712 HydrophobicContact CD1-CG1 4.11Å; L682-V712 HydrophobicContact CD1-CG2 4.42Å; V712-H719 HydrophobicContact CG1-CB 4.18Å; V712-R720 WeakPolarHBondContact CA-O 3.07Å; V712-I721 HydrophobicContact CG2-CG1 4.09Å
713M93.9Very high94.6Very high3 Ų325.4 Ų25.42%0.01514%0.137CC..EExtended strand (participates in β ladder)trans-131150.4173.6-57.4-155.9-58.900110.4V590 E592 I619 K711 V715 R720 F724V590-M713 HydrophobicContact CG1-CB 4.49Å; V590-M713 HydrophobicContact CG1-CG 4.09Å; V590-M713 WeakPolarHBondContact O-CA 3.3Å; E592-M713 HydrophobicContact CG-CE 3.63Å; I619-M713 HydrophobicContact CD1-CE 3.66Å; I619-M713 HydrophobicContact CG1-CE 4.39Å; K711-M713 HydrophobicContact CD-CG 4Å; K711-M713 HydrophobicContact CD-SD 3.9Å; K711-M713 HydrophobicContact CG-CG 4.03Å; K711-M713 PolarHBondContact NZ-SD 2.9Å; K711-M713 VanDerWaalsContact NZ-SD 3.38Å; K711-M713 PolarHBondContact O-N 3.42Å; M713-V715 HydrophobicContact CB-CG2 4.29Å; M713-R720 PolarHBondContact N-O 3.02Å; M713-R720 PolarHBondContact O-N 3.36Å; M713-F724 HydrophobicContact CE-CE2 4.44Å; M713-F724 HydrophobicContact CE-CZ 3.79Å; M713-F724 HydrophobicContact SD-CZ 4.26Å
714M95.3Very high95.1Very high13 Ų1325 Ų256%0.06413%0.132CC..EExtended strand (participates in β ladder)trans-86.5119.9172.5171.757.274.100109.7V590 R591 E592 G717 H719V590-M714 PolarHBondContact O-N 3.26Å; V590-M714 VanDerWaalsContact O-N 3.09Å; R591-M714 VanDerWaalsContact CA-O 3.28Å; R591-M714 WeakPolarHBondContact CA-O 3.48Å; R591-M714 HydrophobicContact CG-CB 4.21Å; E592-M714 PolarHBondContact N-O 3.34Å; E592-M714 VanDerWaalsContact N-O 3.11Å; M714-G717 WeakPolarHBondContact SD-CA 3.49Å; M714-H719 VanDerWaalsContact CE-CE1 3.44Å; M714-H719 WeakPolarHBondContact CE-CE1 3.4Å; M714-H719 WeakPolarHBondContact CE-NE2 3.49Å
715V96.8Very high95.6Very high2 Ų221.8 Ų21.81%0.01211%0.112CC..EExtended strand (participates in β ladder)trans-13099.3-169-173.40000108.8E592 I619 Q620 M713 G717 D718 R720E592-V715 HydrophobicContact CB-CG1 4.3Å; E592-V715 HydrophobicContact CB-CG2 4.29Å; E592-V715 HydrophobicContact CG-CG1 4.48Å; E592-V715 HydrophobicContact CG-CG2 3.97Å; I619-V715 HydrophobicContact CB-CG2 4.4Å; I619-V715 HydrophobicContact CD1-CG2 4.36Å; I619-V715 HydrophobicContact CG2-CG2 4.33Å; Q620-V715 HydrophobicContact CB-CG1 3.74Å; M713-V715 HydrophobicContact CB-CG2 4.29Å; V715-G717 PolarHBondContact O-N 3.15Å; V715-D718 PolarHBondContact N-O 3.48Å; V715-D718 PolarHBondContact O-N 2.87Å; V715-R720 HydrophobicContact CB-CG 4.4Å; V715-R720 HydrophobicContact CG2-CB 4.2Å; V715-R720 HydrophobicContact CG2-CG 4.45Å
716N94.8Very high96Very high33 Ų3319.5 Ų19.518%0.17610%0.096CC..THydrogen-bonded Turntrans5138.7-178.5-56.8-62.6000114.5K558 F559 D594 P595 Q620K558-N716 PolarHBondContact NZ-OD1 3.13Å; F559-N716 WeakPolarHBondContact CE2-O 3.44Å; D594-N716 PolarHBondContact OD2-OD1 3.02Å; P595-N716 VanDerWaalsContact CD-OD1 3.23Å; P595-N716 WeakPolarHBondContact CD-OD1 3.23Å; Q620-N716 PolarHBondContact OE1-ND2 3.35Å
717G93.5Very high96.1Very high0 Ų024.3 Ų24.30%011%0.113CC..THydrogen-bonded Turntrans93.6-11.1-178.200000114.6R303 Y533 M714 V715R303-G717 VanDerWaalsContact NH2-C 3.33Å; R303-G717 PolarHBondContact NH2-O 3.42Å; Y533-G717 WeakPolarHBondContact CB-O 3.4Å; Y533-G717 WeakPolarHBondContact CD1-O 3.36Å; M714-G717 WeakPolarHBondContact SD-CA 3.49Å; V715-G717 PolarHBondContact O-N 3.15Å
718D96.5Very high96.1Very high27 Ų2726.9 Ų26.914%0.14414%0.135CC..EExtended strand (participates in β ladder)trans-103132.8179.6-54.9-30.8000110.8R303 H312 V715 R720R303-D718 IonicContact CZ-OD1 3.6Å; R303-D718 IonicContact NE-OD1 3.92Å; R303-D718 IonicContact NH2-OD1 3.7Å; R303-D718 PolarHBondContact NH2-OD1 3.45Å; H312-D718 IonicContact CD2-OD1 3.09Å; H312-D718 IonicContact CE1-OD1 3.9Å; H312-D718 IonicContact CE1-OD2 2.71Å; H312-D718 IonicContact NE2-OD1 2.73Å; H312-D718 PolarHBondContact NE2-OD1 2.93Å; H312-D718 IonicContact NE2-OD2 3.66Å; V715-D718 PolarHBondContact N-O 3.48Å; V715-D718 PolarHBondContact O-N 2.87Å; D718-R720 HydrophobicContact CB-CG 4.2Å
719H95.8Very high96.1Very high15 Ų1526.9 Ų26.97%0.06914%0.135CC..EExtended strand (participates in β ladder)trans-74.5128.3166-73108.4000109.5Y531 N532 L682 V712 M714Y531-H719 PolarHBondContact O-CE1 3.06Å; N532-H719 PolarHBondContact OD1-ND1 2.94Å; L682-H719 HydrophobicContact CD1-CB 3.9Å; L682-H719 HydrophobicContact CD2-CB 3.96Å; L682-H719 HydrophobicContact CG-CB 3.78Å; V712-H719 HydrophobicContact CG1-CB 4.18Å; M714-H719 VanDerWaalsContact CE-CE1 3.44Å; M714-H719 WeakPolarHBondContact CE-CE1 3.4Å; M714-H719 WeakPolarHBondContact CE-NE2 3.49Å
720R96.5Very high96.2Very high23 Ų2329.8 Ų29.89%0.08715%0.15CC..EExtended strand (participates in β ladder)trans-140.4139.8-179-57.3-179.175.5171.60.2111I619 E653 V712 M713 V715 D718I619-R720 HydrophobicContact CG2-CB 3.9Å; I619-R720 HydrophobicContact CG2-CG 4.43Å; E653-R720 IonicContact OE1-CZ 2.68Å; E653-R720 IonicContact OE1-NE 3.47Å; E653-R720 PolarHBondContact OE1-NE 3.39Å; E653-R720 IonicContact OE1-NH2 2.69Å; E653-R720 PolarHBondContact OE1-NH2 2.56Å; E653-R720 IonicContact OE2-CZ 2.68Å; E653-R720 IonicContact OE2-NE 2.7Å; E653-R720 IonicContact OE2-NH2 2.65Å; E653-R720 PolarHBondContact OE2-NH2 3.24Å; V712-R720 WeakPolarHBondContact CA-O 3.07Å; M713-R720 PolarHBondContact N-O 3.02Å; M713-R720 PolarHBondContact O-N 3.36Å; V715-R720 HydrophobicContact CB-CG 4.4Å; V715-R720 HydrophobicContact CG2-CB 4.2Å; V715-R720 HydrophobicContact CG2-CG 4.45Å; D718-R720 HydrophobicContact CB-CG 4.2Å
721I96.6Very high96.4Very high0 Ų033 Ų330%017%0.168CC..EExtended strand (participates in β ladder)trans-89.9109.9-176.7-59.4149.5000109.2E653 Y654 F680 L682 V688 A710 V712 I723E653-I721 CarbonylContact C-O 3.26Å; E653-I721 VanDerWaalsContact CA-O 3.25Å; E653-I721 WeakPolarHBondContact CA-O 3.46Å; E653-I721 WeakPolarHBondContact CG-O 3.19Å; Y654-I721 HydrophobicContact CD1-CD1 4.35Å; Y654-I721 PolarHBondContact N-O 3.39Å; F680-I721 HydrophobicContact CB-CD1 3.88Å; F680-I721 HydrophobicContact CD1-CD1 3.37Å; F680-I721 HydrophobicContact CD1-CG1 3.81Å; F680-I721 HydrophobicContact CD1-CG2 4.35Å; F680-I721 HydrophobicContact CE1-CD1 4.12Å; F680-I721 HydrophobicContact CE1-CG1 4.05Å; F680-I721 HydrophobicContact CE1-CG2 4.13Å; F680-I721 HydrophobicContact CE2-CG2 4.41Å; F680-I721 HydrophobicContact CG-CD1 3.71Å; F680-I721 HydrophobicContact CG-CG1 4.48Å; F680-I721 HydrophobicContact CZ-CG2 4.17Å; L682-I721 HydrophobicContact CD1-CD1 4.01Å; L682-I721 HydrophobicContact CD1-CG1 3.68Å; V688-I721 HydrophobicContact CB-CD1 3.83Å; V688-I721 HydrophobicContact CG1-CD1 4.25Å; V688-I721 HydrophobicContact CG2-CD1 3.87Å; A710-I721 HydrophobicContact CB-CG2 4.21Å; V712-I721 HydrophobicContact CG2-CG1 4.09Å; I721-I723 HydrophobicContact CG2-CD1 4.07Å
722G97.1Very high96.5Very high0 Ų033.3 Ų33.30%018%0.182CC..EExtended strand (participates in β ladder)trans-92.3133.1170.100000111.7A710 K711 F724A710-G722 CarbonylContact C-O 3.59Å; A710-G722 WeakPolarHBondContact CA-O 3.39Å; K711-G722 PolarHBondContact N-O 3.23Å; K711-G722 PolarHBondContact O-N 3.39Å; G722-F724 VanDerWaalsContact O-CD2 3.3Å; G722-F724 WeakPolarHBondContact O-CD2 3.23Å; G722-F724 WeakPolarHBondContact O-CE2 3.48Å
723I97.9Very high96.7Very high0 Ų033.3 Ų33.30%018%0.18CC..EExtended strand (participates in β ladder)trans-97.7126.9169.7-51.3-55.5000108.8I651 S652 I697 C708 A710 I721I651-I723 PolarHBondContact N-O 2.95Å; S652-I723 WeakPolarHBondContact O-CA 3.33Å; S652-I723 WeakPolarHBondContact O-CB 3.18Å; S652-I723 PolarHBondContact O-N 2.7Å; I697-I723 HydrophobicContact CG1-CB 4.29Å; I697-I723 HydrophobicContact CG1-CG1 4.01Å; I697-I723 HydrophobicContact CG1-CG2 4.26Å; I697-I723 HydrophobicContact CG2-CG1 4.12Å; C708-I723 HydrophobicContact CB-CG2 3.99Å; A710-I723 HydrophobicContact CB-CD1 3.62Å; I721-I723 HydrophobicContact CG2-CD1 4.07Å
724F97.6Very high96.8Very high20 Ų2033.6 Ų33.69%0.08818%0.181CC..EExtended strand (participates in β ladder)trans-129.6152.5-174.1-62.5-93.1000110.9E649 F650 C708 Y709 K711 M713 G722E649-F724 WeakPolarHBondContact O-CA 3.31Å; F650-F724 HydrophobicContact CB-CD1 4.07Å; F650-F724 HydrophobicContact CB-CE1 3.84Å; F650-F724 HydrophobicContact CD2-CD1 4.39Å; F650-F724 AromaticContact CD2-CE1 3.9Å; F650-F724 HydrophobicContact CD2-CE1 3.9Å; F650-F724 AromaticContact CD2-CZ 3.98Å; F650-F724 HydrophobicContact CD2-CZ 3.98Å; F650-F724 HydrophobicContact CG-CE1 4.36Å; C708-F724 CarbonylContact C-O 3.59Å; C708-F724 VanDerWaalsContact CA-O 3.24Å; C708-F724 WeakPolarHBondContact CA-O 3.43Å; C708-F724 WeakPolarHBondContact CB-O 3.36Å; Y709-F724 HydrophobicContact CD1-CB 4.28Å; Y709-F724 HydrophobicContact CD2-CB 4.35Å; Y709-F724 HydrophobicContact CE1-CB 3.75Å; Y709-F724 HydrophobicContact CE2-CB 3.8Å; Y709-F724 HydrophobicContact CE2-CD2 4.08Å; Y709-F724 HydrophobicContact CE2-CG 4.19Å; Y709-F724 VanDerWaalsContact CZ-CB 3.47Å; Y709-F724 PolarHBondContact N-O 3.09Å; Y709-F724 PolarHBondContact O-N 3.03Å; K711-F724 HydrophobicContact CB-CD2 4.07Å; K711-F724 HydrophobicContact CB-CE2 3.98Å; K711-F724 HydrophobicContact CD-CE2 4.36Å; M713-F724 HydrophobicContact CE-CE2 4.44Å; M713-F724 HydrophobicContact CE-CZ 3.79Å; M713-F724 HydrophobicContact SD-CZ 4.26Å; G722-F724 VanDerWaalsContact O-CD2 3.3Å; G722-F724 WeakPolarHBondContact O-CD2 3.23Å; G722-F724 WeakPolarHBondContact O-CE2 3.48Å
725A97.9Very high97Very high0 Ų033 Ų330%018%0.178CC..EExtended strand (participates in β ladder)trans-74.8125.4177.900000112V645 N648 E649 I651 R727 I729V645-A725 HydrophobicContact CG1-CB 3.83Å; N648-A725 WeakPolarHBondContact CA-O 3.38Å; N648-A725 PolarHBondContact N-O 3.02Å; E649-A725 PolarHBondContact O-N 2.91Å; I651-A725 HydrophobicContact CD1-CB 4.12Å; A725-R727 VanDerWaalsContact CB-O 3.29Å; A725-R727 WeakPolarHBondContact CB-O 3.45Å; A725-I729 HydrophobicContact CB-CD1 3.73Å; A725-I729 HydrophobicContact CB-CG1 4.11Å
726K96.9Very high96.9Very high91 Ų9134.7 Ų34.740%0.39619%0.185SC..SBendtrans-77.1-29.1178-162.7-172.1-174.8-178.60112.1K647 P706 N707 Y709K647-K726 WeakPolarHBondContact CD-O 3.49Å; K647-K726 WeakPolarHBondContact CE-O 3.31Å; K647-K726 PolarHBondContact NZ-O 3.31Å; P706-K726 HydrophobicContact CG-CD 4.2Å; P706-K726 WeakPolarHBondContact O-CD 3.37Å; N707-K726 WeakPolarHBondContact O-CA 3.32Å; N707-K726 VanDerWaalsContact O-CB 3.24Å; N707-K726 WeakPolarHBondContact O-CB 3.42Å; N707-K726 PolarHBondContact O-N 3.28Å; Y709-K726 HydrophobicContact CD1-CB 3.96Å; Y709-K726 HydrophobicContact CD1-CG 4.28Å
727R97.3Very high96.9Very high110 Ų11033.2 Ų33.242%0.41518%0.177SC..SBendtrans-129.2-174.6171.655.9163.8173.187.5-9110.2K647 N707 A725 E733K647-R727 WeakPolarHBondContact CA-O 3.34Å; N707-R727 HydrophobicContact CB-CG 4.22Å; A725-R727 VanDerWaalsContact CB-O 3.29Å; A725-R727 WeakPolarHBondContact CB-O 3.45Å; R727-E733 IonicContact CZ-OE1 2.81Å; R727-E733 IonicContact CZ-OE2 2.81Å; R727-E733 VanDerWaalsContact NH1-CD 3.29Å; R727-E733 IonicContact NH1-OE1 2.72Å; R727-E733 PolarHBondContact NH1-OE1 2.63Å; R727-E733 IonicContact NH1-OE2 2.71Å; R727-E733 PolarHBondContact NH1-OE2 2.63Å; R727-E733 IonicContact NH2-OE2 3.96Å; R727-E733 PolarHBondContact NH2-OE2 3.14Å
728A97.9Very high96.7Very high59 Ų5936.2 Ų36.249%0.48819%0.193SC..  trans-71.5145.4161.300000109.4V645V645-A728 WeakPolarHBondContact O-CA 3.49Å
729I98Very high96.1Very high1 Ų137.4 Ų37.41%0.00520%0.196CC..BIsolated β-bridgetrans-130133.4-177.7-51.2-179.7000108.4I641 P644 V645 I651 N707 A725 E733 L735I641-I729 HydrophobicContact CG2-CG2 3.79Å; P644-I729 CarbonylContact C-O 3.53Å; P644-I729 VanDerWaalsContact CA-O 3.25Å; P644-I729 WeakPolarHBondContact CA-O 3.43Å; V645-I729 PolarHBondContact N-O 3.36Å; V645-I729 PolarHBondContact O-N 3.31Å; I651-I729 HydrophobicContact CD1-CD1 4.11Å; N707-I729 HydrophobicContact CB-CD1 4.19Å; N707-I729 HydrophobicContact CB-CG1 4.4Å; A725-I729 HydrophobicContact CB-CD1 3.73Å; A725-I729 HydrophobicContact CB-CG1 4.11Å; I729-E733 WeakPolarHBondContact CA-OE1 3.49Å; I729-E733 HydrophobicContact CG2-CB 3.67Å; I729-E733 HydrophobicContact CG2-CG 4.09Å; I729-L735 HydrophobicContact CD1-CD2 3.85Å; I729-L735 HydrophobicContact CG2-CD2 4.02Å
730Q98Very high95.2Very high121 Ų12146.2 Ų46.257%0.56523%0.229SC*.  trans-88.8163.1179.7-55.3-61-1200112.2I641 G732 E733I641-Q730 VanDerWaalsContact CG2-O 3.22Å; I641-Q730 WeakPolarHBondContact CG2-O 3.18Å; Q730-G732 PolarHBondContact O-N 3.22Å; Q730-E733 HydrophobicContact CB-CG 4.28Å; Q730-E733 PolarHBondContact N-OE1 3.22Å; Q730-E733 PolarHBondContact O-N 3.13Å
731T97.9Very high93.7Very high89 Ų8947.8 Ų47.855%0.54624%0.235SC..THydrogen-bonded Turntrans-56.2130.6167.7-770000110.4K642 E643 P644K642-T731 VanDerWaalsContact O-CG2 3.22Å; K642-T731 WeakPolarHBondContact O-CG2 3.33Å; K642-T731 PolarHBondContact O-OG1 3.14Å; E643-T731 WeakPolarHBondContact CA-OG1 3.2Å; P644-T731 WeakPolarHBondContact CD-OG1 3.37Å
732G96.3Very high91.8Very high48 Ų4850.6 Ų50.650%0.49526%0.255SS..THydrogen-bonded Turntrans89.5-1.9175.700000115.4I641 Q730I641-G732 PolarHBondContact O-N 3.12Å; Q730-G732 PolarHBondContact O-N 3.22Å
733E97.6Very high89.5Confident44 Ų4459.1 Ų59.121%0.20629%0.294CS..PPolyproline II helixtrans-71.9137.8171.9-68.2-167-121.700112F640 I641 R727 I729 Q730F640-E733 WeakPolarHBondContact CA-O 3.33Å; I641-E733 PolarHBondContact N-O 3.01Å; I641-E733 VanDerWaalsContact N-O 3.08Å; R727-E733 IonicContact CZ-OE1 2.81Å; R727-E733 IonicContact CZ-OE2 2.81Å; R727-E733 VanDerWaalsContact NH1-CD 3.29Å; R727-E733 IonicContact NH1-OE1 2.72Å; R727-E733 PolarHBondContact NH1-OE1 2.63Å; R727-E733 IonicContact NH1-OE2 2.71Å; R727-E733 PolarHBondContact NH1-OE2 2.63Å; R727-E733 IonicContact NH2-OE2 3.96Å; R727-E733 PolarHBondContact NH2-OE2 3.14Å; I729-E733 WeakPolarHBondContact CA-OE1 3.49Å; I729-E733 HydrophobicContact CG2-CB 3.67Å; I729-E733 HydrophobicContact CG2-CG 4.09Å; Q730-E733 HydrophobicContact CB-CG 4.28Å; Q730-E733 PolarHBondContact N-OE1 3.22Å; Q730-E733 PolarHBondContact O-N 3.13Å
734E97.7Very high87.3Confident10 Ų1062.6 Ų62.65%0.04732%0.323CS..BIsolated β-bridgetrans-66.4142.6164.4-167.6173.9168.400110S632 D633 G638 I639 F640 N701 N707 F736S632-E734 WeakPolarHBondContact CA-OE2 3.35Å; S632-E734 WeakPolarHBondContact CB-OE1 3.18Å; S632-E734 VanDerWaalsContact OG-CD 3.24Å; S632-E734 PolarHBondContact OG-OE1 3.42Å; S632-E734 PolarHBondContact OG-OE2 3.09Å; D633-E734 PolarHBondContact N-OE2 3.16Å; D633-E734 VanDerWaalsContact N-OE2 3.1Å; G638-E734 WeakPolarHBondContact CA-OE1 3.43Å; I639-E734 CarbonylContact O-C 3.41Å; I639-E734 WeakPolarHBondContact O-CA 3.1Å; F640-E734 HydrophobicContact CD1-CB 3.82Å; F640-E734 HydrophobicContact CD1-CG 4.48Å; F640-E734 HydrophobicContact CE1-CB 3.56Å; F640-E734 HydrophobicContact CE1-CG 4.14Å; F640-E734 HydrophobicContact CE2-CG 4.28Å; F640-E734 HydrophobicContact CG-CB 4.46Å; F640-E734 HydrophobicContact CZ-CB 3.95Å; F640-E734 HydrophobicContact CZ-CG 4.01Å; N701-E734 PolarHBondContact ND2-OE1 2.74Å; N707-E734 PolarHBondContact ND2-O 3.03Å; E734-F736 HydrophobicContact CB-CE2 3.68Å; E734-F736 HydrophobicContact CB-CZ 3.92Å; E734-F736 HydrophobicContact CG-CE1 4.3Å; E734-F736 HydrophobicContact CG-CE2 3.86Å; E734-F736 HydrophobicContact CG-CZ 3.7Å
735L97.8Very high85.3Confident0 Ų064.4 Ų64.40%033%0.334CS..PPolyproline II helixtrans-100.1124.9-178.7-58.1-176.2000110.9L627 I639 I641 I651 I697 A700 N701 I729L627-L735 HydrophobicContact CD2-CD1 3.62Å; I639-L735 HydrophobicContact CG2-CB 3.97Å; I639-L735 HydrophobicContact CG2-CD1 4.3Å; I639-L735 HydrophobicContact CG2-CG 4.42Å; I639-L735 PolarHBondContact O-N 3.44Å; I641-L735 HydrophobicContact CB-CD1 4.24Å; I641-L735 HydrophobicContact CB-CD2 4.08Å; I641-L735 HydrophobicContact CB-CG 4.33Å; I641-L735 HydrophobicContact CD1-CD1 4.27Å; I641-L735 HydrophobicContact CD1-CD2 4.38Å; I641-L735 HydrophobicContact CG2-CD2 4.29Å; I651-L735 HydrophobicContact CD1-CD1 4.36Å; I651-L735 HydrophobicContact CG2-CD1 3.77Å; I697-L735 HydrophobicContact CD1-CD1 3.78Å; A700-L735 CarbonylContact C-O 3.56Å; A700-L735 WeakPolarHBondContact CA-O 3.29Å; A700-L735 HydrophobicContact CB-CB 4.22Å; A700-L735 VanDerWaalsContact CB-O 3.3Å; A700-L735 WeakPolarHBondContact CB-O 3.37Å; N701-L735 PolarHBondContact N-O 3.21Å; I729-L735 HydrophobicContact CD1-CD2 3.85Å; I729-L735 HydrophobicContact CG2-CD2 4.02Å
736F95.9Very high83.3Confident37 Ų3765.5 Ų65.516%0.16234%0.343CS..EExtended strand (participates in β ladder)trans-122.3143.7176.9-56.9-89.3000110.6V634 N701 P706 N707 C708 E734V634-F736 HydrophobicContact CB-CE1 4.4Å; V634-F736 HydrophobicContact CG2-CE1 3.75Å; V634-F736 HydrophobicContact CG2-CZ 3.9Å; N701-F736 HydrophobicContact CB-CD1 3.67Å; N701-F736 HydrophobicContact CB-CE1 3.76Å; N701-F736 CarbonylContact O-C 3.56Å; N701-F736 WeakPolarHBondContact O-CA 3.3Å; P706-F736 HydrophobicContact CB-CB 4.32Å; P706-F736 WeakPolarHBondContact CB-O 3.42Å; N707-F736 PolarHBondContact N-O 2.97Å; N707-F736 PolarHBondContact OD1-N 3.12Å; N707-F736 PolarHBondContact OD1-O 2.96Å; C708-F736 WeakPolarHBondContact CA-O 3.4Å; C708-F736 VanDerWaalsContact CB-O 3.24Å; C708-F736 WeakPolarHBondContact CB-O 3.42Å; C708-F736 PolarHBondContact N-O 2.68Å; E734-F736 HydrophobicContact CB-CE2 3.68Å; E734-F736 HydrophobicContact CB-CZ 3.92Å; E734-F736 HydrophobicContact CG-CE1 4.3Å; E734-F736 HydrophobicContact CG-CE2 3.86Å; E734-F736 HydrophobicContact CG-CZ 3.7Å
737F93.9Very high81.1Confident2 Ų266.8 Ų66.81%0.00935%0.353CS..EExtended strand (participates in β ladder)trans-131.9155.2167.370.5-87.8000111.6Y654 F680 A700 N701 H702 S703 C708 A710 Y739Y654-F737 HydrophobicContact CD2-CE1 4.41Å; Y654-F737 HydrophobicContact CD2-CZ 4.23Å; Y654-F737 HydrophobicContact CE2-CE1 4.26Å; Y654-F737 AromaticContact CE2-CZ 3.93Å; Y654-F737 HydrophobicContact CE2-CZ 3.93Å; F680-F737 HydrophobicContact CD2-CE2 4.12Å; F680-F737 HydrophobicContact CE2-CD2 4.47Å; F680-F737 AromaticContact CE2-CE2 3.79Å; F680-F737 HydrophobicContact CE2-CE2 3.79Å; A700-F737 HydrophobicContact CB-CD1 3.86Å; A700-F737 HydrophobicContact CB-CE1 3.98Å; A700-F737 VanDerWaalsContact O-CE1 3.22Å; A700-F737 WeakPolarHBondContact O-CE1 3.44Å; N701-F737 PolarHBondContact O-N 3.43Å; H702-F737 WeakPolarHBondContact CA-O 3.24Å; S703-F737 PolarHBondContact N-O 3.1Å; C708-F737 HydrophobicContact CB-CB 4.26Å; A710-F737 HydrophobicContact CB-CD2 4.43Å; F737-Y739 HydrophobicContact CD1-CE1 4.12Å; F737-Y739 AromaticContact CD2-CD1 3.68Å; F737-Y739 HydrophobicContact CD2-CD1 3.68Å; F737-Y739 HydrophobicContact CD2-CE1 4.05Å; F737-Y739 HydrophobicContact CE1-CD1 4.29Å; F737-Y739 AromaticContact CE1-CE1 3.67Å; F737-Y739 HydrophobicContact CE1-CE1 3.67Å; F737-Y739 AromaticContact CE2-CD1 3.34Å; F737-Y739 HydrophobicContact CE2-CD1 3.34Å; F737-Y739 AromaticContact CE2-CE1 3.58Å; F737-Y739 HydrophobicContact CE2-CE1 3.58Å; F737-Y739 HydrophobicContact CE2-CG 4.17Å; F737-Y739 HydrophobicContact CG-CD1 4.28Å; F737-Y739 HydrophobicContact CG-CE1 4.29Å; F737-Y739 AromaticContact CZ-CD1 3.69Å; F737-Y739 HydrophobicContact CZ-CD1 3.69Å; F737-Y739 AromaticContact CZ-CE1 3.38Å; F737-Y739 HydrophobicContact CZ-CE1 3.38Å; F737-Y739 WeakPolarHBondContact O-CD1 3.44Å; F737-Y739 PolarHBondContact O-N 2.99Å
738D89Confident79.1Confident63 Ų6365.3 Ų65.334%0.33735%0.35SS..  trans-75.9117.3174.1161.133.3000109.2H702 S703 P706 R740H702-D738 IonicContact CE1-OD1 2.79Å; S703-D738 WeakPolarHBondContact O-CA 3.26Å; P706-D738 HydrophobicContact CG-CB 3.95Å; D738-R740 VanDerWaalsContact C-N 3.33Å; D738-R740 WeakPolarHBondContact OD1-CA 3.36Å; D738-R740 PolarHBondContact OD1-N 3.12Å; D738-R740 VanDerWaalsContact OD2-CG 3.26Å; D738-R740 WeakPolarHBondContact OD2-CG 3.49Å; D738-R740 IonicContact OD2-NE 3.86Å
739Y85.2Confident77.1Confident53 Ų5364.4 Ų64.421%0.20833%0.334CS..  trans-79.8-14.3179.3-68.621.4000112.6A700 H702 F737 Y741A700-Y739 PolarHBondContact O-OH 3.45Å; A700-Y739 VanDerWaalsContact O-OH 3.09Å; H702-Y739 HydrophobicContact CB-CD1 3.94Å; H702-Y739 HydrophobicContact CB-CD2 4.33Å; H702-Y739 HydrophobicContact CB-CE1 3.99Å; H702-Y739 HydrophobicContact CB-CE2 4.37Å; H702-Y739 HydrophobicContact CB-CG 4.12Å; H702-Y739 WeakPolarHBondContact ND1-CB 3.5Å; H702-Y739 AromaticContact ND1-CD1 3.76Å; H702-Y739 AromaticContact ND1-CG 3.54Å; H702-Y739 PolarHBondContact ND1-N 3.49Å; F737-Y739 HydrophobicContact CD1-CE1 4.12Å; F737-Y739 AromaticContact CD2-CD1 3.68Å; F737-Y739 HydrophobicContact CD2-CD1 3.68Å; F737-Y739 HydrophobicContact CD2-CE1 4.05Å; F737-Y739 HydrophobicContact CE1-CD1 4.29Å; F737-Y739 AromaticContact CE1-CE1 3.67Å; F737-Y739 HydrophobicContact CE1-CE1 3.67Å; F737-Y739 AromaticContact CE2-CD1 3.34Å; F737-Y739 HydrophobicContact CE2-CD1 3.34Å; F737-Y739 AromaticContact CE2-CE1 3.58Å; F737-Y739 HydrophobicContact CE2-CE1 3.58Å; F737-Y739 HydrophobicContact CE2-CG 4.17Å; F737-Y739 HydrophobicContact CG-CD1 4.28Å; F737-Y739 HydrophobicContact CG-CE1 4.29Å; F737-Y739 AromaticContact CZ-CD1 3.69Å; F737-Y739 HydrophobicContact CZ-CD1 3.69Å; F737-Y739 AromaticContact CZ-CE1 3.38Å; F737-Y739 HydrophobicContact CZ-CE1 3.38Å; F737-Y739 WeakPolarHBondContact O-CD1 3.44Å; F737-Y739 PolarHBondContact O-N 2.99Å; Y739-Y741 VanDerWaalsContact C-N 3.31Å; Y739-Y741 HydrophobicContact CD2-CD2 4.39Å; Y739-Y741 AromaticContact CD2-CE2 3.53Å; Y739-Y741 HydrophobicContact CD2-CE2 3.53Å; Y739-Y741 AromaticContact CD2-CZ 3.65Å; Y739-Y741 HydrophobicContact CE2-CE2 4.35Å; Y739-Y741 HydrophobicContact CG-CE2 4.13Å; Y739-Y741 PolarHBondContact O-N 3.37Å
740R76.3Confident75.2Confident200 Ų20065.4 Ų65.476%0.75534%0.34SS*.  trans57.337.6-175.2-54.3178.8-178.31782.2115D738D738-R740 VanDerWaalsContact C-N 3.33Å; D738-R740 WeakPolarHBondContact OD1-CA 3.36Å; D738-R740 PolarHBondContact OD1-N 3.12Å; D738-R740 VanDerWaalsContact OD2-CG 3.26Å; D738-R740 WeakPolarHBondContact OD2-CG 3.49Å; D738-R740 IonicContact OD2-NE 3.86Å
741Y65.2Low72.9Confident56 Ų5662.4 Ų62.422%0.2234%0.342CS..  trans-49.7148.8161-75.3-47.8000110.9H702 Y739 D745 Y749H702-Y741 AromaticContact ND1-CD2 3.9Å; Y739-Y741 VanDerWaalsContact C-N 3.31Å; Y739-Y741 HydrophobicContact CD2-CD2 4.39Å; Y739-Y741 AromaticContact CD2-CE2 3.53Å; Y739-Y741 HydrophobicContact CD2-CE2 3.53Å; Y739-Y741 AromaticContact CD2-CZ 3.65Å; Y739-Y741 HydrophobicContact CE2-CE2 4.35Å; Y739-Y741 HydrophobicContact CG-CE2 4.13Å; Y739-Y741 PolarHBondContact O-N 3.37Å; Y741-D745 HydrophobicContact CD1-CB 3.89Å; Y741-D745 HydrophobicContact CG-CB 4.13Å; Y741-Y749 AromaticContact CD1-CD2 3.99Å; Y741-Y749 HydrophobicContact CD1-CD2 3.99Å; Y741-Y749 HydrophobicContact CD1-CE2 4.36Å; Y741-Y749 HydrophobicContact CD2-CD2 4.29Å; Y741-Y749 AromaticContact CE1-CD2 3.56Å; Y741-Y749 HydrophobicContact CE1-CD2 3.56Å; Y741-Y749 AromaticContact CE1-CE2 3.91Å; Y741-Y749 HydrophobicContact CE1-CE2 3.91Å; Y741-Y749 HydrophobicContact CE1-CG 4.42Å; Y741-Y749 AromaticContact CE2-CD2 3.89Å; Y741-Y749 HydrophobicContact CE2-CD2 3.89Å; Y741-Y749 HydrophobicContact CE2-CG 4.15Å; Y741-Y749 HydrophobicContact CG-CD2 4.35Å; Y741-Y749 AromaticContact CZ-CD2 3.5Å; Y741-Y749 AromaticContact CZ-CG 3.92Å
742S55.9Low70.6Confident59 Ų5961.6 Ų61.641%0.41333%0.334SS..  trans-64.8163.1165.483.60000109.4A744 D745 A746S742-A744 PolarHBondContact O-N 2.94Å; S742-A744 VanDerWaalsContact O-N 3.17Å; S742-A744 PolarHBondContact OG-N 2.65Å; S742-D745 WeakPolarHBondContact CB-OD2 3.34Å; S742-D745 PolarHBondContact N-OD2 2.85Å; S742-D745 PolarHBondContact O-N 3.26Å; S742-D745 VanDerWaalsContact OG-CG 3.24Å; S742-D745 PolarHBondContact OG-N 3.29Å; S742-D745 PolarHBondContact OG-OD2 3.33Å; S742-A746 WeakPolarHBondContact O-CB 3.37Å; S742-A746 PolarHBondContact O-N 2.66Å
743Q49Very low68.1Low178 Ų17863 Ų6383%0.83233%0.327SS*.Hα-helixtrans-60.1-27.1177.5-71.3-180-54.200112.6L747Q743-L747 WeakPolarHBondContact O-CD1 3.44Å; Q743-L747 WeakPolarHBondContact O-CG 3.44Å
744A52.2Low65.5Low73 Ų7369.2 Ų69.260%0.60335%0.349SS*.Hα-helixtrans-72.5-40.3173.700000112.3S742S742-A744 PolarHBondContact O-N 2.94Å; S742-A744 VanDerWaalsContact O-N 3.17Å; S742-A744 PolarHBondContact OG-N 2.65Å
745D56.2Low62.7Low59 Ų5976.1 Ų76.132%0.31638%0.381SS..Hα-helixtrans-75.8-35.6-178.7-50.7-53.2000111.9Y741 S742 L747 K748 Y749Y741-D745 HydrophobicContact CD1-CB 3.89Å; Y741-D745 HydrophobicContact CG-CB 4.13Å; S742-D745 WeakPolarHBondContact CB-OD2 3.34Å; S742-D745 PolarHBondContact N-OD2 2.85Å; S742-D745 PolarHBondContact O-N 3.26Å; S742-D745 VanDerWaalsContact OG-CG 3.24Å; S742-D745 PolarHBondContact OG-N 3.29Å; S742-D745 PolarHBondContact OG-OD2 3.33Å; D745-L747 VanDerWaalsContact C-N 3.3Å; D745-L747 PolarHBondContact O-N 3.28Å; D745-K748 WeakPolarHBondContact O-CA 3.49Å; D745-K748 VanDerWaalsContact O-CB 3.31Å; D745-K748 WeakPolarHBondContact O-CB 3.26Å; D745-K748 PolarHBondContact O-N 3.38Å; D745-Y749 HydrophobicContact CB-CD2 4.23Å; D745-Y749 HydrophobicContact CB-CE2 4.08Å; D745-Y749 WeakPolarHBondContact O-CD2 3.41Å; D745-Y749 PolarHBondContact O-N 2.93Å; D745-Y749 VanDerWaalsContact O-N 3.11Å
746A54.5Low59.9Low23 Ų2383.4 Ų83.419%0.1942%0.417CS..Hα-helixtrans-58.3-44.2177.600000111.3S742 K748 Y749 V750S742-A746 WeakPolarHBondContact O-CB 3.37Å; S742-A746 PolarHBondContact O-N 2.66Å; A746-K748 PolarHBondContact O-N 3.34Å; A746-Y749 PolarHBondContact O-N 3.34Å; A746-V750 WeakPolarHBondContact O-CB 3.44Å; A746-V750 WeakPolarHBondContact O-CG2 3.42Å; A746-V750 PolarHBondContact O-N 3.04Å
747L51.5Low57.1Low117 Ų11790.1 Ų90.161%0.61345%0.449SS*.Hα-helixtrans-64.4-16.1175.6-69.7169.9000114.3Q743 D745Q743-L747 WeakPolarHBondContact O-CD1 3.44Å; Q743-L747 WeakPolarHBondContact O-CG 3.44Å; D745-L747 VanDerWaalsContact C-N 3.3Å; D745-L747 PolarHBondContact O-N 3.28Å
748K56.1Low54.4Low80 Ų8097 Ų9735%0.34848%0.484SS..Hα-helixtrans-91.4-35.5178.1-175.4-176174.7-163.30112.2D672 M675 D745 A746D672-K748 VanDerWaalsContact CB-NZ 3.33Å; D672-K748 WeakPolarHBondContact O-CE 3.32Å; D672-K748 PolarHBondContact O-NZ 2.94Å; D672-K748 IonicContact OD1-NZ 2.77Å; D672-K748 IonicContact OD2-NZ 3.25Å; M675-K748 HydrophobicContact SD-CD 4.22Å; M675-K748 WeakPolarHBondContact SD-CE 3.12Å; M675-K748 HydrophobicContact SD-CG 3.67Å; D745-K748 WeakPolarHBondContact O-CA 3.49Å; D745-K748 VanDerWaalsContact O-CB 3.31Å; D745-K748 WeakPolarHBondContact O-CB 3.26Å; D745-K748 PolarHBondContact O-N 3.38Å; A746-K748 PolarHBondContact O-N 3.34Å
749Y55.7Low51.7Low40 Ų40101.2 Ų101.216%0.15753%0.528CS..Hα-helixtrans-102.7-15.8-174.2-60.5-60.3000115.1D672 M675 Y741 D745 A746D672-Y749 WeakPolarHBondContact CA-OH 3.41Å; D672-Y749 VanDerWaalsContact CG-OH 3.23Å; D672-Y749 PolarHBondContact OD1-OH 3.38Å; M675-Y749 WeakPolarHBondContact O-CD1 3.27Å; Y741-Y749 AromaticContact CD1-CD2 3.99Å; Y741-Y749 HydrophobicContact CD1-CD2 3.99Å; Y741-Y749 HydrophobicContact CD1-CE2 4.36Å; Y741-Y749 HydrophobicContact CD2-CD2 4.29Å; Y741-Y749 AromaticContact CE1-CD2 3.56Å; Y741-Y749 HydrophobicContact CE1-CD2 3.56Å; Y741-Y749 AromaticContact CE1-CE2 3.91Å; Y741-Y749 HydrophobicContact CE1-CE2 3.91Å; Y741-Y749 HydrophobicContact CE1-CG 4.42Å; Y741-Y749 AromaticContact CE2-CD2 3.89Å; Y741-Y749 HydrophobicContact CE2-CD2 3.89Å; Y741-Y749 HydrophobicContact CE2-CG 4.15Å; Y741-Y749 HydrophobicContact CG-CD2 4.35Å; Y741-Y749 AromaticContact CZ-CD2 3.5Å; Y741-Y749 AromaticContact CZ-CG 3.92Å; D745-Y749 HydrophobicContact CB-CD2 4.23Å; D745-Y749 HydrophobicContact CB-CE2 4.08Å; D745-Y749 WeakPolarHBondContact O-CD2 3.41Å; D745-Y749 PolarHBondContact O-N 2.93Å; D745-Y749 VanDerWaalsContact O-N 3.11Å; A746-Y749 PolarHBondContact O-N 3.34Å
750V57.3Low50Low21 Ų21103.7 Ų103.713%0.12754%0.544CS..  trans-118.193.7-172.6-170.30000110.9H702 A746 I752 E753H702-V750 HydrophobicContact CB-CG2 4.29Å; H702-V750 VanDerWaalsContact CD2-CG2 3.47Å; H702-V750 WeakPolarHBondContact CD2-CG2 3.49Å; A746-V750 WeakPolarHBondContact O-CB 3.44Å; A746-V750 WeakPolarHBondContact O-CG2 3.42Å; A746-V750 PolarHBondContact O-N 3.04Å; V750-I752 PolarHBondContact O-N 3.37Å; V750-E753 HydrophobicContact CG1-CG 4.29Å
751G48.7Very low48.6Very low58 Ų5898.6 Ų98.660%0.59853%0.533SS*.  trans-67.4-31-172.800000116.1
752I49.8Very low47.7Very low73 Ų73100.9 Ų100.937%0.37455%0.55SS.*THydrogen-bonded Turntrans-78.2-29.7-167.3-63.1-163.1000113.8V634 V750 R754 E755V634-I752 HydrophobicContact CB-CD1 4.21Å; V634-I752 HydrophobicContact CG1-CD1 3.84Å; V634-I752 HydrophobicContact CG1-CG1 4.26Å; V634-I752 HydrophobicContact CG2-CD1 4.47Å; V750-I752 PolarHBondContact O-N 3.37Å; I752-R754 PolarHBondContact O-N 2.93Å; I752-R754 VanDerWaalsContact O-N 3.1Å; I752-E755 PolarHBondContact O-N 2.99Å
753E44.8Very low47.2Very low77 Ų77103.4 Ų103.436%0.3656%0.558SS.*Hα-helixtrans-67.4-15.6-177.9-66.2-173.9179.300112.6V704 V750 E755 M756V704-E753 VanDerWaalsContact CG2-OE1 3.25Å; V704-E753 WeakPolarHBondContact CG2-OE1 3.43Å; V750-E753 HydrophobicContact CG1-CG 4.29Å; E753-E755 PolarHBondContact O-N 3.45Å; E753-M756 PolarHBondContact O-N 3.15Å
754R42.2Very low47.1Very low175 Ų17598.8 Ų98.866%0.6654%0.541SS*.Hα-helixtrans-59.1-28.3166.9-77.2-172.2171.9-166.3-1.7114.2I752 I758I752-R754 PolarHBondContact O-N 2.93Å; I752-R754 VanDerWaalsContact O-N 3.1Å; R754-I758 WeakPolarHBondContact O-CD1 3.42Å; R754-I758 WeakPolarHBondContact O-CG1 3.49Å
755E38.8Very low46.8Very low154 Ų154100.5 Ų100.572%0.7254%0.537SS*.Hα-helixtrans-90.6-22.2-177.2-62.4-169.5158.700112.4I752 E753I752-E755 PolarHBondContact O-N 2.99Å; E753-E755 PolarHBondContact O-N 3.45Å
756M39.7Very low46.1Very low153 Ų153103.4 Ų103.475%0.75455%0.553SS**Hα-helixtrans-85.7-22.3-178.4-75-166.666.300114.9E753 I758E753-M756 PolarHBondContact O-N 3.15Å; M756-I758 VanDerWaalsContact C-N 3.31Å
757E36.4Very low45.5Very low179 Ų179109.6 Ų109.684%0.83658%0.581SS**SBendtrans-85.7-0.5172.1-68.1-162.4137.100113.5
758I37.8Very low45Very low146 Ų146109 Ų10975%0.74958%0.578SS**  trans-111.11.9-175.1-59.2-176.4000112.1R754 M756R754-I758 WeakPolarHBondContact O-CD1 3.42Å; R754-I758 WeakPolarHBondContact O-CG1 3.49Å; M756-I758 VanDerWaalsContact C-N 3.31Å
759A32.3Very low44Very low152 Ų152111.6 Ų111.6100%1.25660%0.599SS**  trans-109.30-173.900000114.2

Retrieved 759 of 759 residues in 1563.5 ms (Link to these results)

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