A0A077Z3W8_TRITR Loading...

Mito carr domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3W8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 300 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M27.3Very low27.8Very low198 Ų19891.8 Ų91.898%0.97545%0.45SS*.  0-8.20-142171.9-154.700113.2Y5M1-Y5 VanDerWaalsContact O-CD2 3.22Å; M1-Y5 WeakPolarHBondContact O-CD2 3.08Å
2T24.1Very low28.4Very low106 Ų10691.9 Ų91.965%0.6545%0.449SS*.  trans-107.3-22.8179.5-10.80000112.8L6T2-L6 WeakPolarHBondContact O-CD1 3.46Å; T2-L6 PolarHBondContact O-N 3.28Å
3D24.7Very low28.8Very low102 Ų10289.8 Ų89.855%0.54544%0.438SS..Hα-helixtrans-84.3-26.3-173.1-68.2-33.1000115L6 E7D3-L6 WeakPolarHBondContact O-CB 3.18Å; D3-L6 PolarHBondContact O-N 2.85Å; D3-E7 PolarHBondContact O-N 3.37Å
4S26.3Very low29.2Very low15 Ų1586.6 Ų86.611%0.10542%0.423CS..Hα-helixtrans-76.1-35.3173.653.70000112.6L6 E7S4-L6 VanDerWaalsContact C-N 3.27Å; S4-L6 PolarHBondContact O-N 2.59Å; S4-E7 PolarHBondContact O-N 3.38Å
5Y26.8Very low29.7Very low133 Ų13387.7 Ų87.752%0.52244%0.44SS..Hα-helixtrans-63.4-36.6168.1-73.3-87.3000111M1 E7 M8 D9M1-Y5 VanDerWaalsContact O-CD2 3.22Å; M1-Y5 WeakPolarHBondContact O-CD2 3.08Å; Y5-E7 VanDerWaalsContact C-N 3.33Å; Y5-E7 PolarHBondContact O-N 2.85Å; Y5-M8 PolarHBondContact O-N 3.03Å; Y5-D9 WeakPolarHBondContact O-CB 3.4Å; Y5-D9 VanDerWaalsContact O-CG 3.26Å; Y5-D9 PolarHBondContact O-N 3.5Å
6L25.5Very low30.5Very low78 Ų7889.6 Ų89.641%0.40846%0.457SS..Hα-helixtrans-63.5-28.3177-95.8154.3000114.1T2 D3 S4 Q10T2-L6 WeakPolarHBondContact O-CD1 3.46Å; T2-L6 PolarHBondContact O-N 3.28Å; D3-L6 WeakPolarHBondContact O-CB 3.18Å; D3-L6 PolarHBondContact O-N 2.85Å; S4-L6 VanDerWaalsContact C-N 3.27Å; S4-L6 PolarHBondContact O-N 2.59Å; L6-Q10 WeakPolarHBondContact O-CB 3.48Å; L6-Q10 WeakPolarHBondContact O-CG 3.33Å; L6-Q10 PolarHBondContact O-N 3.21Å
7E28.5Very low31.7Very low54 Ų5493.2 Ų93.225%0.25247%0.471SS..Hα-helixtrans-83.1-33.8179.3-77-169152.100113.4D3 S4 Y5 Y11 H209D3-E7 PolarHBondContact O-N 3.37Å; S4-E7 PolarHBondContact O-N 3.38Å; Y5-E7 VanDerWaalsContact C-N 3.33Å; Y5-E7 PolarHBondContact O-N 2.85Å; E7-Y11 PolarHBondContact O-N 3.3Å; E7-H209 IonicContact OE2-CE1 3.19Å; E7-H209 PolarHBondContact OE2-CE1 3.15Å; E7-H209 IonicContact OE2-NE2 3.45Å; E7-H209 PolarHBondContact OE2-NE2 3.32Å
8M29.6Very low33.6Very low76 Ų7693.1 Ų93.137%0.37447%0.467SS..Hα-helixtrans-76.8-36.5169.2-82.6-169.97000111.9Y5 Q10 Y11 E12 F188 Y191Y5-M8 PolarHBondContact O-N 3.03Å; M8-Q10 VanDerWaalsContact C-N 3.33Å; M8-Y11 WeakPolarHBondContact O-CA 3.44Å; M8-Y11 VanDerWaalsContact O-CB 3.23Å; M8-Y11 WeakPolarHBondContact O-CB 3.27Å; M8-Y11 PolarHBondContact O-N 3.44Å; M8-E12 PolarHBondContact O-N 3.37Å; M8-F188 HydrophobicContact CE-CD1 3.53Å; M8-F188 HydrophobicContact CE-CE1 3.21Å; M8-F188 HydrophobicContact CE-CZ 4.14Å; M8-F188 HydrophobicContact SD-CD1 4.2Å; M8-F188 HydrophobicContact SD-CE1 4.35Å; M8-Y191 HydrophobicContact SD-CE1 4.49Å
9D31.4Very low35.6Very low38 Ų3891.6 Ų91.620%0.20346%0.463CS..Hα-helixtrans-67-32.2171.2-79.7-17.8000111.4Y5 Y11 E12 H13 H113Y5-D9 WeakPolarHBondContact O-CB 3.4Å; Y5-D9 VanDerWaalsContact O-CG 3.26Å; Y5-D9 PolarHBondContact O-N 3.5Å; D9-Y11 PolarHBondContact O-N 3.38Å; D9-E12 CarbonylContact O-C 3.5Å; D9-E12 PolarHBondContact O-N 2.91Å; D9-H13 WeakPolarHBondContact O-CA 3.32Å; D9-H13 WeakPolarHBondContact O-CB 3.44Å; D9-H13 PolarHBondContact O-CD2 3.35Å; D9-H13 VanDerWaalsContact O-CG 3.29Å; D9-H13 PolarHBondContact O-N 2.95Å; D9-H113 IonicContact OD2-CE1 2.99Å; D9-H113 PolarHBondContact OD2-CE1 2.9Å; D9-H113 IonicContact OD2-ND1 3.95Å; D9-H113 IonicContact OD2-NE2 3.43Å; D9-H113 PolarHBondContact OD2-NE2 2.89Å
10Q29.4Very low37.7Very low124 Ų12492.1 Ų92.158%0.57946%0.464SS*.Hα-helixtrans-67.8-19.6170.3-87.3178.9-2.900112.8L6 M8 H13 L14L6-Q10 WeakPolarHBondContact O-CB 3.48Å; L6-Q10 WeakPolarHBondContact O-CG 3.33Å; L6-Q10 PolarHBondContact O-N 3.21Å; M8-Q10 VanDerWaalsContact C-N 3.33Å; Q10-H13 CarbonylContact O-C 3.59Å; Q10-L14 PolarHBondContact O-N 3.39Å
11Y31.9Very low39.7Very low86 Ų8687.9 Ų87.934%0.33744%0.443SS..Hα-helixtrans-79.2-37.4174.5-132.8-103.7000112.4E7 M8 D9 W283E7-Y11 PolarHBondContact O-N 3.3Å; M8-Y11 WeakPolarHBondContact O-CA 3.44Å; M8-Y11 VanDerWaalsContact O-CB 3.23Å; M8-Y11 WeakPolarHBondContact O-CB 3.27Å; M8-Y11 PolarHBondContact O-N 3.44Å; D9-Y11 PolarHBondContact O-N 3.38Å; Y11-W283 AromaticContact CD2-CH2 3.98Å; Y11-W283 HydrophobicContact CD2-CH2 3.98Å; Y11-W283 AromaticContact CD2-CZ2 3.97Å; Y11-W283 HydrophobicContact CD2-CZ2 3.97Å; Y11-W283 AromaticContact CE1-CZ2 4Å; Y11-W283 HydrophobicContact CE1-CZ2 4Å; Y11-W283 AromaticContact CE2-CH2 2.97Å; Y11-W283 HydrophobicContact CE2-CH2 2.97Å; Y11-W283 AromaticContact CE2-CZ2 3.13Å; Y11-W283 HydrophobicContact CE2-CZ2 3.13Å; Y11-W283 AromaticContact CE2-CZ3 3.74Å; Y11-W283 HydrophobicContact CE2-CZ3 3.74Å; Y11-W283 AromaticContact CZ-CE2 3.55Å; Y11-W283 AromaticContact CZ-CH2 3.32Å; Y11-W283 AromaticContact CZ-CZ2 3.11Å; Y11-W283 AromaticContact CZ-CZ3 3.84Å; Y11-W283 VanDerWaalsContact OH-CD2 3.3Å; Y11-W283 VanDerWaalsContact OH-CE3 3.26Å; Y11-W283 WeakPolarHBondContact OH-CH2 3.13Å; Y11-W283 WeakPolarHBondContact OH-CZ2 3.42Å; Y11-W283 WeakPolarHBondContact OH-CZ3 3.07Å
12E35Very low42Very low93 Ų9380.6 Ų80.644%0.43541%0.406SS..Hα-helixtrans-86.2-14.8172.4-70.8-164.2151.600113.7M8 D9 Y99M8-E12 PolarHBondContact O-N 3.37Å; D9-E12 CarbonylContact O-C 3.5Å; D9-E12 PolarHBondContact O-N 2.91Å; E12-Y99 VanDerWaalsContact CD-OH 3.26Å; E12-Y99 PolarHBondContact OE1-OH 3.43Å; E12-Y99 PolarHBondContact OE2-OH 2.97Å
13H34.1Very low44.7Very low65 Ų6577.4 Ų77.430%0.30139%0.385SS..THydrogen-bonded Turntrans-115.539175.4-59.5-49.5000112.6D9 Q10 P15 L111D9-H13 WeakPolarHBondContact O-CA 3.32Å; D9-H13 WeakPolarHBondContact O-CB 3.44Å; D9-H13 PolarHBondContact O-CD2 3.35Å; D9-H13 VanDerWaalsContact O-CG 3.29Å; D9-H13 PolarHBondContact O-N 2.95Å; Q10-H13 CarbonylContact O-C 3.59Å; H13-P15 VanDerWaalsContact O-CD 3.23Å; H13-P15 WeakPolarHBondContact O-CD 3.3Å; H13-L111 WeakPolarHBondContact ND1-CD2 3.41Å
14L34.7Very low47.5Very low45 Ų4577.2 Ų77.224%0.23638%0.383CS..  trans-52.2114.8157.5-99.5144.2000106.9Q10 T16Q10-L14 PolarHBondContact O-N 3.39Å; L14-T16 PolarHBondContact O-N 3.02Å
15P36.7Very low50.1Low103 Ų10376.5 Ų76.567%0.66938%0.378SS*.  trans-58.4115.9-173.321.1-29.8000106.8H13 H17H13-P15 VanDerWaalsContact O-CD 3.23Å; H13-P15 WeakPolarHBondContact O-CD 3.3Å; P15-H17 VanDerWaalsContact C-N 3.35Å; P15-H17 PolarHBondContact O-N 3.3Å
16T41.8Very low52.6Low117 Ų11770.6 Ų70.672%0.71836%0.358SS*.  trans-34.591.3178.842.90000112.1L14L14-T16 PolarHBondContact O-N 3.02Å
17H51.7Low55.3Low152 Ų15267.5 Ų67.570%0.70434%0.343SS*.SBendtrans-108.9-2.2165.6-106.7-70000113.8P15P15-H17 VanDerWaalsContact C-N 3.35Å; P15-H17 PolarHBondContact O-N 3.3Å
18K65.7Low57.9Low90 Ų9066 Ų6639%0.39134%0.341SS..  trans166.7113.3152.5-87.7146.2-163.7179.60109.4H20 V21K18-H20 WeakPolarHBondContact CB-CE1 3.45Å; K18-H20 WeakPolarHBondContact CG-CE1 3.42Å; K18-H20 PolarHBondContact O-N 3.44Å; K18-H20 VanDerWaalsContact O-N 3.1Å; K18-V21 HydrophobicContact CB-CB 4.35Å; K18-V21 HydrophobicContact CB-CG2 3.64Å; K18-V21 HydrophobicContact CD-CG2 4.32Å; K18-V21 VanDerWaalsContact O-CB 3.3Å; K18-V21 WeakPolarHBondContact O-CB 3.46Å; K18-V21 PolarHBondContact O-N 2.95Å
19V71.7Confident60.4Low66 Ų6662.5 Ų62.540%0.432%0.324SS..Hα-helixtrans-49.3-42.4179.7177.70000111.8V21 H22 L23 E100V19-V21 PolarHBondContact O-N 3.45Å; V19-V21 VanDerWaalsContact O-N 3.14Å; V19-H22 PolarHBondContact O-N 3.12Å; V19-H22 VanDerWaalsContact O-N 3.09Å; V19-L23 HydrophobicContact CG1-CD1 4.06Å; V19-L23 HydrophobicContact CG1-CD2 4.46Å; V19-L23 HydrophobicContact CG1-CG 4.11Å; V19-L23 WeakPolarHBondContact O-CG 3.33Å; V19-L23 PolarHBondContact O-N 2.65Å; V19-E100 HydrophobicContact CG1-CG 4.07Å
20H77.5Confident62.8Low101 Ų10161 Ų6147%0.46832%0.317SS..Hα-helixtrans-59.3-26.9178.664.1-104.5000114.5K18 L24K18-H20 WeakPolarHBondContact CB-CE1 3.45Å; K18-H20 WeakPolarHBondContact CG-CE1 3.42Å; K18-H20 PolarHBondContact O-N 3.44Å; K18-H20 VanDerWaalsContact O-N 3.1Å; H20-L24 WeakPolarHBondContact O-CB 3.31Å; H20-L24 WeakPolarHBondContact O-CG 3.32Å; H20-L24 PolarHBondContact O-N 3.23Å
21V79.6Confident65.4Low4 Ų456.1 Ų56.12%0.02430%0.296CS..Hα-helixtrans-66.2-47.9175.8172.90000109.8K18 V19 L23 L24 A25 K290 L293K18-V21 HydrophobicContact CB-CB 4.35Å; K18-V21 HydrophobicContact CB-CG2 3.64Å; K18-V21 HydrophobicContact CD-CG2 4.32Å; K18-V21 VanDerWaalsContact O-CB 3.3Å; K18-V21 WeakPolarHBondContact O-CB 3.46Å; K18-V21 PolarHBondContact O-N 2.95Å; V19-V21 PolarHBondContact O-N 3.45Å; V19-V21 VanDerWaalsContact O-N 3.14Å; V21-L23 PolarHBondContact O-N 3.42Å; V21-L24 PolarHBondContact O-N 3.28Å; V21-A25 WeakPolarHBondContact O-CB 2.9Å; V21-A25 PolarHBondContact O-N 2.91Å; V21-K290 HydrophobicContact CG1-CG 4.35Å; V21-L293 HydrophobicContact CB-CB 4.3Å; V21-L293 HydrophobicContact CG1-CB 3.65Å; V21-L293 HydrophobicContact CG1-CD1 4.27Å; V21-L293 HydrophobicContact CG2-CB 4.01Å
22H75.8Confident68Low44 Ų4455.8 Ų55.820%0.20430%0.298CS..Hα-helixtrans-63.8-41176.5-62.1-69.1000111.8V19 G26 Y286V19-H22 PolarHBondContact O-N 3.12Å; V19-H22 VanDerWaalsContact O-N 3.09Å; H22-G26 PolarHBondContact O-N 3.14Å; H22-Y286 AromaticContact ND1-CZ 3.95Å; H22-Y286 PolarHBondContact ND1-OH 2.83Å
23L80.1Confident70.5Confident39 Ų3953.9 Ų53.920%0.20429%0.289CS..Hα-helixtrans-57.7-51.4175.8-60.9178.6000111.5V19 V21 A27 F96V19-L23 HydrophobicContact CG1-CD1 4.06Å; V19-L23 HydrophobicContact CG1-CD2 4.46Å; V19-L23 HydrophobicContact CG1-CG 4.11Å; V19-L23 WeakPolarHBondContact O-CG 3.33Å; V19-L23 PolarHBondContact O-N 2.65Å; V21-L23 PolarHBondContact O-N 3.42Å; L23-A27 WeakPolarHBondContact O-CB 3.16Å; L23-A27 PolarHBondContact O-N 3.18Å; L23-F96 HydrophobicContact CD2-CB 3.07Å; L23-F96 HydrophobicContact CD2-CG 3.94Å; L23-F96 HydrophobicContact CG-CB 4.42Å
24L83Confident73Confident98 Ų9852.7 Ų52.751%0.51328%0.284SS..Hα-helixtrans-71.5-42.5-176.5-70.2172.9000111.7H20 V21 A27 A28 L293H20-L24 WeakPolarHBondContact O-CB 3.31Å; H20-L24 WeakPolarHBondContact O-CG 3.32Å; H20-L24 PolarHBondContact O-N 3.23Å; V21-L24 PolarHBondContact O-N 3.28Å; L24-A27 PolarHBondContact O-N 3.18Å; L24-A28 VanDerWaalsContact O-CB 3.27Å; L24-A28 WeakPolarHBondContact O-CB 3.3Å; L24-A28 PolarHBondContact O-N 3.12Å; L24-L293 HydrophobicContact CB-CD1 3.71Å; L24-L293 HydrophobicContact CD1-CD1 4.43Å
25A81.6Confident75.7Confident0 Ų052 Ų520%028%0.283CS..Hα-helixtrans-62.9-43.2176.300000111.3V21 A28 A29 Y286 F289 K290 L293V21-A25 WeakPolarHBondContact O-CB 2.9Å; V21-A25 PolarHBondContact O-N 2.91Å; A25-A28 PolarHBondContact O-N 3.23Å; A25-A29 VanDerWaalsContact O-CB 3.26Å; A25-A29 WeakPolarHBondContact O-CB 3.39Å; A25-A29 PolarHBondContact O-N 2.66Å; A25-Y286 HydrophobicContact CB-CD2 3.89Å; A25-Y286 HydrophobicContact CB-CE2 4.01Å; A25-F289 HydrophobicContact CB-CB 3.78Å; A25-K290 HydrophobicContact CB-CB 4.22Å; A25-L293 HydrophobicContact CB-CD1 4.49Å
26G78.5Confident78.2Confident9 Ų951.6 Ų51.69%0.09327%0.274CS..Hα-helixtrans-63.7-4517600000112.8H22 A29 G30H22-G26 PolarHBondContact O-N 3.14Å; G26-A29 PolarHBondContact O-N 2.77Å; G26-G30 PolarHBondContact O-N 3.04Å
27A82.1Confident80.6Confident13 Ų1347.3 Ų47.311%0.10725%0.246CC..Hα-helixtrans-64.9-39.517700000112.5L23 L24 T31 H92L23-A27 WeakPolarHBondContact O-CB 3.16Å; L23-A27 PolarHBondContact O-N 3.18Å; L24-A27 PolarHBondContact O-N 3.18Å; A27-T31 WeakPolarHBondContact O-CB 3.23Å; A27-T31 PolarHBondContact O-N 2.71Å; A27-T31 PolarHBondContact O-OG1 3.39Å; A27-H92 HydrophobicContact CB-CB 3.78Å
28A84.4Confident82.5Confident24 Ų2440.1 Ų40.120%0.19821%0.212CC..Hα-helixtrans-66.4-43175.400000111.6L24 A25 T31 M32 F289L24-A28 VanDerWaalsContact O-CB 3.27Å; L24-A28 WeakPolarHBondContact O-CB 3.3Å; L24-A28 PolarHBondContact O-N 3.12Å; A25-A28 PolarHBondContact O-N 3.23Å; A28-T31 PolarHBondContact O-N 3.33Å; A28-M32 VanDerWaalsContact O-CB 3.26Å; A28-M32 WeakPolarHBondContact O-CB 3.48Å; A28-M32 PolarHBondContact O-N 2.7Å; A28-F289 HydrophobicContact CB-CD1 3.95Å; A28-F289 HydrophobicContact CB-CD2 3.69Å; A28-F289 HydrophobicContact CB-CE1 3.95Å; A28-F289 HydrophobicContact CB-CE2 3.7Å; A28-F289 HydrophobicContact CB-CG 3.82Å; A28-F289 HydrophobicContact CB-CZ 3.83Å
29A82.7Confident83.9Confident2 Ų237.1 Ų37.12%0.01720%0.202CC..Hα-helixtrans-59.5-51.7176.100000112.1A25 G26 T31 M32 E33 T282 V285A25-A29 VanDerWaalsContact O-CB 3.26Å; A25-A29 WeakPolarHBondContact O-CB 3.39Å; A25-A29 PolarHBondContact O-N 2.66Å; G26-A29 PolarHBondContact O-N 2.77Å; A29-T31 PolarHBondContact O-N 3.46Å; A29-M32 PolarHBondContact O-N 3.3Å; A29-E33 WeakPolarHBondContact O-CB 3.39Å; A29-E33 PolarHBondContact O-N 3.05Å; A29-T282 HydrophobicContact CB-CG2 4.17Å; A29-V285 HydrophobicContact CB-CB 4.24Å; A29-V285 HydrophobicContact CB-CG1 4.09Å
30G80.2Confident84.9Confident6 Ų635.3 Ų35.36%0.06219%0.19CC..Hα-helixtrans-63.9-38.517900000113.2G26 H34G26-G30 PolarHBondContact O-N 3.04Å; G30-H34 PolarHBondContact O-CD2 3.13Å; G30-H34 PolarHBondContact O-N 3.46Å; G30-H34 VanDerWaalsContact O-N 3.14Å
31T84.9Confident85.6Confident22 Ų2231.9 Ų31.914%0.13518%0.175CC..Hα-helixtrans-66.4-43175.9-54.40000111.6A27 A28 A29 H34 C35 A88A27-T31 WeakPolarHBondContact O-CB 3.23Å; A27-T31 PolarHBondContact O-N 2.71Å; A27-T31 PolarHBondContact O-OG1 3.39Å; A28-T31 PolarHBondContact O-N 3.33Å; A29-T31 PolarHBondContact O-N 3.46Å; T31-H34 PolarHBondContact O-N 3.11Å; T31-C35 PolarHBondContact O-N 3.01Å; T31-C35 VanDerWaalsContact O-N 3.12Å; T31-C35 PolarHBondContact O-SG 2.89Å; T31-A88 HydrophobicContact CG2-CB 4.38Å
32M86.8Confident86.4Confident78 Ų7831.8 Ų31.838%0.38418%0.175SC..Hα-helixtrans-66-42.3178.9-175.262.274.200111.7A28 A29 H34 C35 L36 V285A28-M32 VanDerWaalsContact O-CB 3.26Å; A28-M32 WeakPolarHBondContact O-CB 3.48Å; A28-M32 PolarHBondContact O-N 2.7Å; A29-M32 PolarHBondContact O-N 3.3Å; M32-H34 PolarHBondContact O-N 3.15Å; M32-C35 PolarHBondContact O-N 3.01Å; M32-C35 VanDerWaalsContact O-N 3.12Å; M32-L36 HydrophobicContact CG-CD1 3.76Å; M32-L36 HydrophobicContact CG-CG 4.26Å; M32-L36 WeakPolarHBondContact O-CG 3.4Å; M32-L36 PolarHBondContact O-N 3.45Å; M32-L36 HydrophobicContact SD-CD1 4.14Å; M32-L36 HydrophobicContact SD-CG 4.14Å; M32-V285 HydrophobicContact CB-CG1 3.98Å; M32-V285 HydrophobicContact CB-CG2 4.28Å; M32-V285 HydrophobicContact CG-CG1 4.23Å; M32-V285 HydrophobicContact CG-CG2 3.8Å
33E86.7Confident87.3Confident53 Ų5329.9 Ų29.925%0.24817%0.166CC..Hα-helixtrans-52.3-54.6173.3-177.7-164.5141.900110.6A29 C35 L36 F37 T278 T282A29-E33 WeakPolarHBondContact O-CB 3.39Å; A29-E33 PolarHBondContact O-N 3.05Å; E33-C35 PolarHBondContact O-N 2.94Å; E33-L36 PolarHBondContact O-N 3.45Å; E33-F37 HydrophobicContact CG-CD2 4.26Å; E33-F37 WeakPolarHBondContact O-CD2 3.25Å; E33-F37 PolarHBondContact O-N 3.43Å; E33-T278 HydrophobicContact CG-CG2 3.57Å; E33-T278 WeakPolarHBondContact OE1-CG2 3.37Å; E33-T282 VanDerWaalsContact CD-OG1 3.22Å; E33-T282 WeakPolarHBondContact CG-OG1 3.39Å; E33-T282 PolarHBondContact OE2-OG1 2.91Å
34H87.7Confident88Confident41 Ų4129.2 Ų29.219%0.1916%0.162CC..Hα-helixtrans-58.7-35178.8-76.1-44000113G30 T31 M32 F38 V84G30-H34 PolarHBondContact O-CD2 3.13Å; G30-H34 PolarHBondContact O-N 3.46Å; G30-H34 VanDerWaalsContact O-N 3.14Å; T31-H34 PolarHBondContact O-N 3.11Å; M32-H34 PolarHBondContact O-N 3.15Å; H34-F38 WeakPolarHBondContact O-CA 3.34Å; H34-F38 VanDerWaalsContact O-CB 3.26Å; H34-F38 WeakPolarHBondContact O-CB 3.35Å; H34-F38 PolarHBondContact O-N 2.92Å; H34-F38 VanDerWaalsContact O-N 3.12Å; H34-V84 HydrophobicContact CB-CG1 3.72Å
35C90.2Very high88.6Confident31 Ų3124.6 Ų24.621%0.20914%0.137CC..Hα-helixtrans-72.6-44178.8-66.90000112.5T31 M32 E33 F38 I81 V85T31-C35 PolarHBondContact O-N 3.01Å; T31-C35 VanDerWaalsContact O-N 3.12Å; T31-C35 PolarHBondContact O-SG 2.89Å; M32-C35 PolarHBondContact O-N 3.01Å; M32-C35 VanDerWaalsContact O-N 3.12Å; E33-C35 PolarHBondContact O-N 2.94Å; C35-F38 VanDerWaalsContact O-CB 3.31Å; C35-F38 WeakPolarHBondContact O-CB 3.47Å; C35-F38 PolarHBondContact O-N 2.67Å; C35-I81 HydrophobicContact CB-CD1 4.16Å; C35-V85 VanDerWaalsContact SG-CG2 3.56Å
36L90.3Very high89.2Confident94 Ų9424.7 Ų24.749%0.49214%0.138SC..Hα-helixtrans-67.6-41.6-177.7-75170.5000111.8M32 E33 F38 P39 V281M32-L36 HydrophobicContact CG-CD1 3.76Å; M32-L36 HydrophobicContact CG-CG 4.26Å; M32-L36 WeakPolarHBondContact O-CG 3.4Å; M32-L36 PolarHBondContact O-N 3.45Å; M32-L36 HydrophobicContact SD-CD1 4.14Å; M32-L36 HydrophobicContact SD-CG 4.14Å; E33-L36 PolarHBondContact O-N 3.45Å; L36-F38 VanDerWaalsContact C-N 3.34Å; L36-P39 WeakPolarHBondContact O-CD 3.46Å; L36-V281 HydrophobicContact CD1-CG1 3.35Å
37F90.9Very high90Very high27 Ų2725.5 Ų25.512%0.11814%0.141CC..Hα-helixtrans-88.5-2.3179.4-68-79.7000113.6E33 P39 L40 D41 F274 P277 T278 V281E33-F37 HydrophobicContact CG-CD2 4.26Å; E33-F37 WeakPolarHBondContact O-CD2 3.25Å; E33-F37 PolarHBondContact O-N 3.43Å; F37-P39 VanDerWaalsContact C-CD 3.43Å; F37-P39 VanDerWaalsContact C-N 3.34Å; F37-L40 HydrophobicContact CD1-CD1 4.07Å; F37-L40 PolarHBondContact O-N 2.93Å; F37-D41 PolarHBondContact O-N 2.87Å; F37-F274 HydrophobicContact CD1-CB 4.45Å; F37-F274 HydrophobicContact CE1-CB 4.48Å; F37-P277 HydrophobicContact CE1-CB 3.84Å; F37-P277 VanDerWaalsContact CZ-C 3.48Å; F37-P277 HydrophobicContact CZ-CB 3.7Å; F37-T278 HydrophobicContact CD2-CG2 4.41Å; F37-T278 VanDerWaalsContact CE2-CA 3.45Å; F37-T278 HydrophobicContact CE2-CG2 4.45Å; F37-V281 HydrophobicContact CE2-CB 4.07Å; F37-V281 HydrophobicContact CE2-CG1 4.26Å; F37-V281 HydrophobicContact CE2-CG2 4.09Å; F37-V281 HydrophobicContact CZ-CG2 4.19Å
38F93.4Very high90.6Very high1 Ų125 Ų250%0.00414%0.136CC..Hα-helixtrans-49.7-44.2179.9-159.7-88.3000114H34 C35 L36 L40 D41 S42 P77 L78 G80 I81 V84 K140 Q144H34-F38 WeakPolarHBondContact O-CA 3.34Å; H34-F38 VanDerWaalsContact O-CB 3.26Å; H34-F38 WeakPolarHBondContact O-CB 3.35Å; H34-F38 PolarHBondContact O-N 2.92Å; H34-F38 VanDerWaalsContact O-N 3.12Å; C35-F38 VanDerWaalsContact O-CB 3.31Å; C35-F38 WeakPolarHBondContact O-CB 3.47Å; C35-F38 PolarHBondContact O-N 2.67Å; L36-F38 VanDerWaalsContact C-N 3.34Å; F38-L40 VanDerWaalsContact C-N 3.35Å; F38-L40 PolarHBondContact O-N 3.49Å; F38-D41 WeakPolarHBondContact O-CB 3.3Å; F38-D41 PolarHBondContact O-N 3.48Å; F38-S42 PolarHBondContact O-N 2.92Å; F38-S42 PolarHBondContact O-OG 2.98Å; F38-S42 VanDerWaalsContact O-OG 3.13Å; F38-P77 WeakPolarHBondContact CD1-O 3.43Å; F38-P77 WeakPolarHBondContact CE1-O 3.33Å; F38-L78 HydrophobicContact CD1-CD2 4.47Å; F38-G80 VanDerWaalsContact CZ-C 3.47Å; F38-I81 HydrophobicContact CB-CD1 4.11Å; F38-I81 HydrophobicContact CB-CG1 4.45Å; F38-I81 HydrophobicContact CD1-CB 4.1Å; F38-I81 HydrophobicContact CD1-CG1 4.42Å; F38-I81 HydrophobicContact CD2-CB 4.15Å; F38-I81 HydrophobicContact CD2-CG1 3.98Å; F38-I81 HydrophobicContact CE1-CB 4.07Å; F38-I81 HydrophobicContact CE2-CB 4.1Å; F38-I81 HydrophobicContact CE2-CG1 4.37Å; F38-I81 HydrophobicContact CG-CB 4.15Å; F38-I81 HydrophobicContact CG-CD1 4.14Å; F38-I81 HydrophobicContact CG-CG1 4.02Å; F38-I81 HydrophobicContact CZ-CB 4.09Å; F38-V84 HydrophobicContact CD2-CG2 4.34Å; F38-V84 HydrophobicContact CE2-CB 4.47Å; F38-V84 HydrophobicContact CE2-CG2 3.72Å; F38-K140 HydrophobicContact CE2-CD 3.85Å; F38-K140 HydrophobicContact CE2-CG 3.78Å; F38-K140 HydrophobicContact CZ-CG 4.03Å; F38-Q144 HydrophobicContact CE1-CG 4.36Å; F38-Q144 HydrophobicContact CZ-CG 4.2Å
39P94.4Very high90.9Very high27 Ų2723.9 Ų23.918%0.17513%0.127CC..Hα-helixtrans-63.1-38.3179.1-23.635.6000113.7L36 F37 S42 V43 L65 P77 L78L36-P39 WeakPolarHBondContact O-CD 3.46Å; F37-P39 VanDerWaalsContact C-CD 3.43Å; F37-P39 VanDerWaalsContact C-N 3.34Å; P39-S42 WeakPolarHBondContact O-CB 3.42Å; P39-S42 PolarHBondContact O-N 3.36Å; P39-V43 PolarHBondContact O-N 3.04Å; P39-L65 HydrophobicContact CB-CD1 3.73Å; P39-L65 HydrophobicContact CB-CD2 3.99Å; P39-P77 HydrophobicContact CB-CB 3.74Å; P39-L78 HydrophobicContact CG-CD2 3.94Å
40L92.7Very high91.3Very high27 Ų2724.6 Ų24.614%0.14113%0.13CC..Hα-helixtrans-75.1-37178.4-70.4169000111.1F37 F38 S42 V43 K44 L65 F274F37-L40 HydrophobicContact CD1-CD1 4.07Å; F37-L40 PolarHBondContact O-N 2.93Å; F38-L40 VanDerWaalsContact C-N 3.35Å; F38-L40 PolarHBondContact O-N 3.49Å; L40-S42 VanDerWaalsContact C-N 3.26Å; L40-S42 PolarHBondContact O-N 3.32Å; L40-V43 WeakPolarHBondContact O-CB 3.29Å; L40-V43 PolarHBondContact O-N 3.26Å; L40-V43 VanDerWaalsContact O-N 3.15Å; L40-K44 PolarHBondContact O-N 3.19Å; L40-L65 HydrophobicContact CD2-CB 4.49Å; L40-L65 HydrophobicContact CD2-CD2 3.96Å; L40-L65 HydrophobicContact CG-CD2 4.35Å; L40-F274 HydrophobicContact CB-CD2 4.45Å; L40-F274 HydrophobicContact CB-CE2 4.43Å; L40-F274 HydrophobicContact CD1-CD1 3.56Å; L40-F274 HydrophobicContact CD1-CD2 3.92Å; L40-F274 HydrophobicContact CD1-CE1 3.4Å; L40-F274 HydrophobicContact CD1-CE2 3.8Å; L40-F274 HydrophobicContact CD1-CG 3.84Å; L40-F274 HydrophobicContact CD1-CZ 3.53Å; L40-F274 HydrophobicContact CD2-CE1 4.32Å; L40-F274 HydrophobicContact CD2-CE2 3.74Å; L40-F274 HydrophobicContact CD2-CZ 3.61Å; L40-F274 HydrophobicContact CG-CE1 4.48Å; L40-F274 HydrophobicContact CG-CE2 4.2Å; L40-F274 HydrophobicContact CG-CZ 4.17Å
41D92.9Very high91.7Very high30 Ų3026.8 Ų26.816%0.1614%0.144CC..Hα-helixtrans-57.6-40.2169.7-100.80.3000111.4F37 F38 V43 K44 T45 K140F37-D41 PolarHBondContact O-N 2.87Å; F38-D41 WeakPolarHBondContact O-CB 3.3Å; F38-D41 PolarHBondContact O-N 3.48Å; D41-V43 VanDerWaalsContact C-N 3.34Å; D41-V43 PolarHBondContact O-N 3.14Å; D41-K44 WeakPolarHBondContact O-CB 3.2Å; D41-K44 PolarHBondContact O-N 3.38Å; D41-K44 IonicContact OD1-NZ 3.3Å; D41-K44 PolarHBondContact OD1-NZ 2.97Å; D41-K44 IonicContact OD2-NZ 3.79Å; D41-T45 WeakPolarHBondContact O-CB 3.33Å; D41-T45 PolarHBondContact O-N 2.89Å; D41-T45 PolarHBondContact O-OG1 3.44Å; D41-K140 IonicContact OD2-NZ 2.74Å
42S95Very high91.9Very high2 Ų233.1 Ų33.11%0.01417%0.172CC..Hα-helixtrans-61-40.5175.1-670000112.5F38 P39 L40 R46 P77 Q144F38-S42 PolarHBondContact O-N 2.92Å; F38-S42 PolarHBondContact O-OG 2.98Å; F38-S42 VanDerWaalsContact O-OG 3.13Å; P39-S42 WeakPolarHBondContact O-CB 3.42Å; P39-S42 PolarHBondContact O-N 3.36Å; L40-S42 VanDerWaalsContact C-N 3.26Å; L40-S42 PolarHBondContact O-N 3.32Å; S42-R46 WeakPolarHBondContact O-CG 3.07Å; S42-R46 PolarHBondContact O-N 3.48Å; S42-R46 VanDerWaalsContact O-N 3.15Å; S42-P77 PolarHBondContact OG-O 3.05Å; S42-Q144 WeakPolarHBondContact OG-CG 3.45Å; S42-Q144 PolarHBondContact OG-NE2 2.7Å
43V95.3Very high92.1Very high3 Ų329.7 Ų29.72%0.01816%0.155CC..Hα-helixtrans-65-48.8173.71790000110.5P39 L40 D41 T45 R46 V47 E55 L65 M68P39-V43 PolarHBondContact O-N 3.04Å; L40-V43 WeakPolarHBondContact O-CB 3.29Å; L40-V43 PolarHBondContact O-N 3.26Å; L40-V43 VanDerWaalsContact O-N 3.15Å; D41-V43 VanDerWaalsContact C-N 3.34Å; D41-V43 PolarHBondContact O-N 3.14Å; V43-T45 VanDerWaalsContact C-N 3.34Å; V43-T45 PolarHBondContact O-N 3.15Å; V43-R46 PolarHBondContact O-N 2.98Å; V43-V47 HydrophobicContact CG1-CG2 4.32Å; V43-V47 WeakPolarHBondContact O-CG2 3.31Å; V43-V47 PolarHBondContact O-N 3.38Å; V43-E55 HydrophobicContact CG1-CB 4.33Å; V43-E55 HydrophobicContact CG1-CG 4.46Å; V43-L65 HydrophobicContact CG2-CB 3.75Å; V43-L65 HydrophobicContact CG2-CD1 4.29Å; V43-M68 HydrophobicContact CB-CE 4.42Å; V43-M68 HydrophobicContact CG2-CE 3.72Å
44K94.5Very high92.4Very high26 Ų2629.3 Ų29.311%0.11316%0.157CC..Hα-helixtrans-54.7-51178.5179.7-163.774.1-1640110.8L40 D41 R46 V47 Q48 A270 R271L40-K44 PolarHBondContact O-N 3.19Å; D41-K44 WeakPolarHBondContact O-CB 3.2Å; D41-K44 PolarHBondContact O-N 3.38Å; D41-K44 IonicContact OD1-NZ 3.3Å; D41-K44 PolarHBondContact OD1-NZ 2.97Å; D41-K44 IonicContact OD2-NZ 3.79Å; K44-R46 VanDerWaalsContact C-N 3.31Å; K44-R46 PolarHBondContact O-N 3.13Å; K44-V47 PolarHBondContact O-N 3.37Å; K44-Q48 HydrophobicContact CG-CG 4.5Å; K44-Q48 WeakPolarHBondContact O-CB 3.42Å; K44-Q48 WeakPolarHBondContact O-CG 3.37Å; K44-Q48 PolarHBondContact O-N 3.17Å; K44-A270 HydrophobicContact CB-CB 3.97Å; K44-A270 HydrophobicContact CG-CB 4.19Å; K44-R271 HydrophobicContact CD-CG 3.86Å
45T95.2Very high92.6Very high1 Ų127.5 Ų27.51%0.00615%0.149CC..Hα-helixtrans-59.8-40.6-179.8-66.80000111.3D41 V43 Q48 S49 Q141 Q144 T232 T236D41-T45 WeakPolarHBondContact O-CB 3.33Å; D41-T45 PolarHBondContact O-N 2.89Å; D41-T45 PolarHBondContact O-OG1 3.44Å; V43-T45 VanDerWaalsContact C-N 3.34Å; V43-T45 PolarHBondContact O-N 3.15Å; T45-Q48 PolarHBondContact O-N 3.4Å; T45-S49 WeakPolarHBondContact O-CA 3.47Å; T45-S49 WeakPolarHBondContact O-CB 3.2Å; T45-S49 PolarHBondContact O-N 2.68Å; T45-Q141 HydrophobicContact CG2-CB 3.93Å; T45-Q141 HydrophobicContact CG2-CG 4.04Å; T45-Q144 HydrophobicContact CG2-CB 3.98Å; T45-Q144 PolarHBondContact OG1-OE1 3.42Å; T45-T232 HydrophobicContact CG2-CG2 4.15Å; T45-T236 HydrophobicContact CG2-CG2 4.35Å
46R95.1Very high92.7Very high2 Ų228.2 Ų28.21%0.00815%0.149CC..Hα-helixtrans-65.2-44.4175.1-73.3-178.7-177.7-163.1-5.7113.1S42 V43 K44 Q48 S49 C53 E55 Q56 E72 Q144S42-R46 WeakPolarHBondContact O-CG 3.07Å; S42-R46 PolarHBondContact O-N 3.48Å; S42-R46 VanDerWaalsContact O-N 3.15Å; V43-R46 PolarHBondContact O-N 2.98Å; K44-R46 VanDerWaalsContact C-N 3.31Å; K44-R46 PolarHBondContact O-N 3.13Å; R46-Q48 VanDerWaalsContact C-N 3.3Å; R46-Q48 PolarHBondContact O-N 3.37Å; R46-S49 PolarHBondContact O-N 2.94Å; R46-S49 PolarHBondContact O-OG 3.15Å; R46-C53 PolarHBondContact O-SG 3.07Å; R46-C53 VanDerWaalsContact O-SG 3.4Å; R46-E55 IonicContact NH1-OE1 2.7Å; R46-E55 PolarHBondContact NH1-OE1 3.36Å; R46-E55 IonicContact NH1-OE2 2.66Å; R46-Q56 PolarHBondContact O-NE2 3.15Å; R46-E72 IonicContact CZ-OE1 2.9Å; R46-E72 IonicContact CZ-OE2 2.72Å; R46-E72 IonicContact NH1-OE1 3.95Å; R46-E72 PolarHBondContact NH1-OE1 3.43Å; R46-E72 IonicContact NH1-OE2 3.23Å; R46-E72 IonicContact NH2-OE1 3.32Å; R46-E72 PolarHBondContact NH2-OE1 3.29Å; R46-E72 IonicContact NH2-OE2 3.14Å; R46-E72 PolarHBondContact NH2-OE2 2.86Å; R46-Q144 VanDerWaalsContact CG-O 3.27Å; R46-Q144 WeakPolarHBondContact CG-O 3.19Å; R46-Q144 PolarHBondContact NE-O 2.88Å
47V94.4Very high92.7Very high25 Ų2530.5 Ų30.515%0.15216%0.162CC..Hα-helixtrans-62.6-40.5177.9175.10000110.7V43 K44 E55 Q56 R259V43-V47 HydrophobicContact CG1-CG2 4.32Å; V43-V47 WeakPolarHBondContact O-CG2 3.31Å; V43-V47 PolarHBondContact O-N 3.38Å; K44-V47 PolarHBondContact O-N 3.37Å; V47-E55 HydrophobicContact CG2-CB 3.95Å; V47-Q56 HydrophobicContact CB-CG 4.47Å; V47-Q56 HydrophobicContact CG1-CG 4.33Å; V47-Q56 HydrophobicContact CG2-CG 4.49Å; V47-R259 PolarHBondContact O-NH1 3.48Å
48Q94.5Very high92.8Very high4 Ų430.6 Ų30.62%0.01917%0.166CC..Hα-helixtrans-75.8-28176.6-76.8176.3-21.700114.2K44 T45 R46 D228 T232 S266K44-Q48 HydrophobicContact CG-CG 4.5Å; K44-Q48 WeakPolarHBondContact O-CB 3.42Å; K44-Q48 WeakPolarHBondContact O-CG 3.37Å; K44-Q48 PolarHBondContact O-N 3.17Å; T45-Q48 PolarHBondContact O-N 3.4Å; R46-Q48 VanDerWaalsContact C-N 3.3Å; R46-Q48 PolarHBondContact O-N 3.37Å; Q48-D228 PolarHBondContact NE2-OD2 3.4Å; Q48-D228 PolarHBondContact OE1-OD2 2.98Å; Q48-T232 HydrophobicContact CB-CG2 3.73Å; Q48-T232 PolarHBondContact OE1-OG1 2.98Å; Q48-S266 WeakPolarHBondContact CG-O 3.12Å; Q48-S266 PolarHBondContact NE2-O 2.67Å
49S92.3Very high92.6Very high0 Ų041.3 Ų41.30%021%0.206CC..SBendtrans-63.2140.4176.878.70000109.6T45 R46 C51 Q56 Q238 R259T45-S49 WeakPolarHBondContact O-CA 3.47Å; T45-S49 WeakPolarHBondContact O-CB 3.2Å; T45-S49 PolarHBondContact O-N 2.68Å; R46-S49 PolarHBondContact O-N 2.94Å; R46-S49 PolarHBondContact O-OG 3.15Å; S49-C51 VanDerWaalsContact C-N 3.28Å; S49-C51 PolarHBondContact O-N 2.84Å; S49-Q56 PolarHBondContact O-NE2 2.95Å; S49-Q238 PolarHBondContact OG-OE1 2.96Å; S49-Q238 VanDerWaalsContact OG-OE1 3.06Å; S49-R259 VanDerWaalsContact O-CZ 3.3Å; S49-R259 PolarHBondContact O-NH1 2.72Å; S49-R259 PolarHBondContact O-NH2 3.27Å
50L91Very high92.6Very high17 Ų1743 Ų439%0.08922%0.216CC..SBendtrans-73.1-18.6-171.2-72.4176.4000113.7A233 V239 M245 V254 I255 C258 R259L50-A233 HydrophobicContact CD1-CB 4.06Å; L50-A233 HydrophobicContact CG-CB 4.38Å; L50-V239 HydrophobicContact CB-CG2 3.53Å; L50-V239 HydrophobicContact CD1-CB 4.46Å; L50-V239 HydrophobicContact CD1-CG2 3.62Å; L50-V239 HydrophobicContact CG-CG2 4.23Å; L50-M245 HydrophobicContact CD1-CE 4.45Å; L50-M245 HydrophobicContact CD1-SD 4.49Å; L50-V254 HydrophobicContact CD1-CG1 3.73Å; L50-I255 HydrophobicContact CD1-CG1 4.37Å; L50-I255 HydrophobicContact CD2-CG1 4.06Å; L50-C258 HydrophobicContact CD2-CB 4.25Å; L50-R259 VanDerWaalsContact C-NH2 3.29Å; L50-R259 HydrophobicContact CD2-CG 4.45Å; L50-R259 PolarHBondContact O-NH2 3.35Å; L50-R259 VanDerWaalsContact O-NH2 3.1Å
51C88.7Confident92.6Very high51 Ų5142.2 Ų42.235%0.34521%0.213SC..SBendtrans-65146.4173.1-171.10000111S49 C53 Q56 Q238 R259S49-C51 VanDerWaalsContact C-N 3.28Å; S49-C51 PolarHBondContact O-N 2.84Å; C51-C53 PolarHBondContact O-N 3.14Å; C51-Q56 PolarHBondContact O-NE2 2.97Å; C51-Q238 HydrophobicContact CB-CB 4.2Å; C51-Q238 HydrophobicContact CB-CG 4.39Å; C51-Q238 VanDerWaalsContact CB-NE2 3.32Å; C51-R259 PolarHBondContact O-NH2 3.46Å
52H87.9Confident92.6Very high155 Ų15544.1 Ų44.172%0.71823%0.225SC*.  trans-65.1127.9171.3-108.859.4000109.7
53C91.2Very high92.7Very high6 Ų645.6 Ų45.64%0.04124%0.237CC..  trans-136.8150.5173.377.60000110.6R46 C51 E55 Q56 W146R46-C53 PolarHBondContact O-SG 3.07Å; R46-C53 VanDerWaalsContact O-SG 3.4Å; C51-C53 PolarHBondContact O-N 3.14Å; C53-E55 WeakPolarHBondContact CB-OE2 3.39Å; C53-E55 PolarHBondContact O-N 3.21Å; C53-E55 VanDerWaalsContact O-N 3.14Å; C53-E55 PolarHBondContact SG-OE2 3.46Å; C53-Q56 WeakPolarHBondContact O-CB 3.26Å; C53-Q56 PolarHBondContact O-N 3.33Å; C53-Q56 PolarHBondContact SG-NE2 3.08Å; C53-W146 HydrophobicContact CB-CB 3.64Å; C53-W146 HydrophobicContact CB-CD2 4.39Å; C53-W146 HydrophobicContact CB-CG 3.96Å
54P92.7Very high92.7Very high45 Ų4545.5 Ų45.529%0.29224%0.237SC..G310 helixtrans-63.2-22.9-177.5-21.232.6000113.8Q56 N57 R71 W146P54-Q56 PolarHBondContact O-N 3.19Å; P54-N57 PolarHBondContact O-N 3.41Å; P54-R71 VanDerWaalsContact CB-CZ 3.5Å; P54-R71 VanDerWaalsContact CB-NH1 3.3Å; P54-W146 HydrophobicContact CG-CE3 4.24Å; P54-W146 HydrophobicContact CG-CH2 3.86Å; P54-W146 HydrophobicContact CG-CZ2 4.09Å; P54-W146 HydrophobicContact CG-CZ3 3.9Å
55E92.8Very high92.8Very high3 Ų345.9 Ų45.91%0.01424%0.24CC..G310 helixtrans-67.5-21.9178.7-62.476.7-166.300113.2V43 R46 V47 C53 N57 C58 M68 R71V43-E55 HydrophobicContact CG1-CB 4.33Å; V43-E55 HydrophobicContact CG1-CG 4.46Å; R46-E55 IonicContact NH1-OE1 2.7Å; R46-E55 PolarHBondContact NH1-OE1 3.36Å; R46-E55 IonicContact NH1-OE2 2.66Å; V47-E55 HydrophobicContact CG2-CB 3.95Å; C53-E55 WeakPolarHBondContact CB-OE2 3.39Å; C53-E55 PolarHBondContact O-N 3.21Å; C53-E55 VanDerWaalsContact O-N 3.14Å; C53-E55 PolarHBondContact SG-OE2 3.46Å; E55-N57 PolarHBondContact O-N 3.06Å; E55-C58 WeakPolarHBondContact O-CB 3.27Å; E55-C58 PolarHBondContact O-N 2.92Å; E55-C58 VanDerWaalsContact O-N 3.11Å; E55-M68 HydrophobicContact CG-CE 4.41Å; E55-R71 VanDerWaalsContact CD-NH2 3.31Å; E55-R71 IonicContact OE1-CZ 3.38Å; E55-R71 IonicContact OE1-NH2 3.62Å; E55-R71 PolarHBondContact OE1-NH2 3.35Å
56Q91.3Very high92.8Very high46 Ų4649.6 Ų49.622%0.21526%0.259CS..G310 helixtrans-64.2-26.2176.8-74.2156.96.300112.7R46 V47 S49 C51 C53 P54R46-Q56 PolarHBondContact O-NE2 3.15Å; V47-Q56 HydrophobicContact CB-CG 4.47Å; V47-Q56 HydrophobicContact CG1-CG 4.33Å; V47-Q56 HydrophobicContact CG2-CG 4.49Å; S49-Q56 PolarHBondContact O-NE2 2.95Å; C51-Q56 PolarHBondContact O-NE2 2.97Å; C53-Q56 WeakPolarHBondContact O-CB 3.26Å; C53-Q56 PolarHBondContact O-N 3.33Å; C53-Q56 PolarHBondContact SG-NE2 3.08Å; P54-Q56 PolarHBondContact O-N 3.19Å
57N91.5Very high92.9Very high143 Ų14352 Ų5277%0.76527%0.272SS*.G310 helixtrans-91.10.6178.4-65.5-27.7000113P54 E55P54-N57 PolarHBondContact O-N 3.41Å; E55-N57 PolarHBondContact O-N 3.06Å
58C92.2Very high92.9Very high28 Ų2850.8 Ų50.819%0.18927%0.265CS..  trans-81.6134.1-179.9-66.70000110.7E55 T60 A63 N67E55-C58 WeakPolarHBondContact O-CB 3.27Å; E55-C58 PolarHBondContact O-N 2.92Å; E55-C58 VanDerWaalsContact O-N 3.11Å; C58-T60 VanDerWaalsContact C-N 3.27Å; C58-T60 PolarHBondContact O-N 2.75Å; C58-A63 HydrophobicContact CB-CB 4.42Å; C58-N67 PolarHBondContact SG-ND2 3.07Å
59R89.6Confident93.1Very high227 Ų22752.7 Ų52.786%0.85728%0.277SS*.SBendtrans-65-27.9179.8-74.7-173.7176.1176.9-1114.2Q269R59-Q269 PolarHBondContact O-OE1 3.27Å
60T93.5Very high93.3Very high63 Ų6362.1 Ų62.139%0.38731%0.312SS..SBendtrans-137.8151.3-17969.10000110.2C58 V62 A63 G64C58-T60 VanDerWaalsContact C-N 3.27Å; C58-T60 PolarHBondContact O-N 2.75Å; T60-V62 PolarHBondContact O-N 3.47Å; T60-A63 PolarHBondContact O-N 3.33Å; T60-A63 WeakPolarHBondContact OG1-CB 3.36Å; T60-A63 PolarHBondContact OG1-N 3.16Å; T60-A63 VanDerWaalsContact OG1-N 3.13Å; T60-G64 PolarHBondContact O-N 2.91Å
61P92.6Very high93.5Very high10 Ų1066.3 Ų66.37%0.06533%0.327CS..Hα-helixtrans-59.8-34175.4-22.531.7000112.8G64 L65 Q269 A270 F274P61-G64 CarbonylContact O-C 3.52Å; P61-G64 WeakPolarHBondContact O-CA 3.47Å; P61-G64 PolarHBondContact O-N 3.44Å; P61-L65 PolarHBondContact O-N 3.15Å; P61-Q269 HydrophobicContact CG-CB 4.23Å; P61-A270 HydrophobicContact CB-CB 4.01Å; P61-A270 HydrophobicContact CG-CB 3.72Å; P61-F274 HydrophobicContact CB-CE2 3.77Å; P61-F274 HydrophobicContact CB-CZ 4.42Å; P61-F274 HydrophobicContact CG-CE2 4.04Å
62V94.4Very high93.8Very high69 Ų6966.6 Ų66.642%0.41832%0.323SS..Hα-helixtrans-65.6-42.7177.4-177.20000110.8T60 G64 L65 I66 F274T60-V62 PolarHBondContact O-N 3.47Å; V62-G64 VanDerWaalsContact C-N 3.28Å; V62-G64 PolarHBondContact O-N 2.81Å; V62-L65 PolarHBondContact O-N 3.36Å; V62-I66 HydrophobicContact CG1-CD1 4.01Å; V62-I66 WeakPolarHBondContact O-CG1 3.45Å; V62-I66 PolarHBondContact O-N 3.35Å; V62-F274 HydrophobicContact CG2-CZ 3.9Å
63A95.7Very high94.1Very high33 Ų3360.8 Ų60.827%0.27331%0.305SS..Hα-helixtrans-62.3-38.717300000111.3C58 T60 I66 N67C58-A63 HydrophobicContact CB-CB 4.42Å; T60-A63 PolarHBondContact O-N 3.33Å; T60-A63 WeakPolarHBondContact OG1-CB 3.36Å; T60-A63 PolarHBondContact OG1-N 3.16Å; T60-A63 VanDerWaalsContact OG1-N 3.13Å; A63-I66 PolarHBondContact O-N 3.07Å; A63-N67 VanDerWaalsContact O-CB 3.29Å; A63-N67 WeakPolarHBondContact O-CB 3.3Å; A63-N67 VanDerWaalsContact O-CG 3.23Å; A63-N67 PolarHBondContact O-N 2.94Å; A63-N67 PolarHBondContact O-ND2 3.4Å
64G95.5Very high94.3Very high1 Ų167.7 Ų67.71%0.0134%0.335CS..Hα-helixtrans-58-45.4171.500000112.8T60 P61 V62 N67 M68T60-G64 PolarHBondContact O-N 2.91Å; P61-G64 CarbonylContact O-C 3.52Å; P61-G64 WeakPolarHBondContact O-CA 3.47Å; P61-G64 PolarHBondContact O-N 3.44Å; V62-G64 VanDerWaalsContact C-N 3.28Å; V62-G64 PolarHBondContact O-N 2.81Å; G64-N67 PolarHBondContact O-N 2.9Å; G64-M68 WeakPolarHBondContact O-CB 3.15Å; G64-M68 PolarHBondContact O-N 3.27Å
65L95.8Very high94.4Very high35 Ų3571.8 Ų71.818%0.18335%0.353CS..Hα-helixtrans-64.4-48.5178.2179.257000111.9P39 L40 V43 P61 V62 N67 M68 V69 P77P39-L65 HydrophobicContact CB-CD1 3.73Å; P39-L65 HydrophobicContact CB-CD2 3.99Å; L40-L65 HydrophobicContact CD2-CB 4.49Å; L40-L65 HydrophobicContact CD2-CD2 3.96Å; L40-L65 HydrophobicContact CG-CD2 4.35Å; V43-L65 HydrophobicContact CG2-CB 3.75Å; V43-L65 HydrophobicContact CG2-CD1 4.29Å; P61-L65 PolarHBondContact O-N 3.15Å; V62-L65 PolarHBondContact O-N 3.36Å; L65-N67 VanDerWaalsContact C-N 3.28Å; L65-N67 PolarHBondContact O-N 3.12Å; L65-M68 WeakPolarHBondContact O-CB 3.31Å; L65-M68 PolarHBondContact O-N 3.06Å; L65-V69 HydrophobicContact CD1-CG2 4.27Å; L65-V69 WeakPolarHBondContact O-CG2 3.39Å; L65-V69 PolarHBondContact O-N 3.15Å; L65-P77 HydrophobicContact CD1-CB 3.83Å; L65-P77 HydrophobicContact CD1-CG 3.64Å
66I96.7Very high94.5Very high79 Ų7973.1 Ų73.141%0.40536%0.358SS..Hα-helixtrans-58.8-44.6178.5-67.7167.1000110V62 A63 V69 R70V62-I66 HydrophobicContact CG1-CD1 4.01Å; V62-I66 WeakPolarHBondContact O-CG1 3.45Å; V62-I66 PolarHBondContact O-N 3.35Å; A63-I66 PolarHBondContact O-N 3.07Å; I66-V69 PolarHBondContact O-N 3.35Å; I66-R70 HydrophobicContact CG2-CG 4.48Å; I66-R70 WeakPolarHBondContact O-CB 3.11Å; I66-R70 VanDerWaalsContact O-CG 3.3Å; I66-R70 WeakPolarHBondContact O-CG 3.31Å; I66-R70 PolarHBondContact O-N 3.14Å
67N96.2Very high94.7Very high51 Ų5171 Ų7127%0.27335%0.349SS..Hα-helixtrans-66.8-38.1178.2-74.5-20000112.6C58 A63 G64 L65 R70 R71C58-N67 PolarHBondContact SG-ND2 3.07Å; A63-N67 VanDerWaalsContact O-CB 3.29Å; A63-N67 WeakPolarHBondContact O-CB 3.3Å; A63-N67 VanDerWaalsContact O-CG 3.23Å; A63-N67 PolarHBondContact O-N 2.94Å; A63-N67 PolarHBondContact O-ND2 3.4Å; G64-N67 PolarHBondContact O-N 2.9Å; L65-N67 VanDerWaalsContact C-N 3.28Å; L65-N67 PolarHBondContact O-N 3.12Å; N67-R70 PolarHBondContact O-N 2.72Å; N67-R71 WeakPolarHBondContact O-CB 3.2Å; N67-R71 WeakPolarHBondContact O-CG 3.38Å; N67-R71 PolarHBondContact O-N 3.45Å; N67-R71 PolarHBondContact O-NE 3.02Å
68M95.8Very high94.8Very high1 Ų166.9 Ų66.91%0.00533%0.326CS..Hα-helixtrans-59.8-49173.3-179.2-177.3-46.800111.1V43 E55 G64 L65 R70 R71 E72 R76 P77V43-M68 HydrophobicContact CB-CE 4.42Å; V43-M68 HydrophobicContact CG2-CE 3.72Å; E55-M68 HydrophobicContact CG-CE 4.41Å; G64-M68 WeakPolarHBondContact O-CB 3.15Å; G64-M68 PolarHBondContact O-N 3.27Å; L65-M68 WeakPolarHBondContact O-CB 3.31Å; L65-M68 PolarHBondContact O-N 3.06Å; M68-R70 VanDerWaalsContact C-N 3.35Å; M68-R70 PolarHBondContact O-N 2.84Å; M68-R71 PolarHBondContact O-N 3.09Å; M68-E72 PolarHBondContact O-N 3.18Å; M68-R76 HydrophobicContact CG-CG 4.39Å; M68-P77 HydrophobicContact CG-CG 4.26Å; M68-P77 HydrophobicContact SD-CB 3.99Å; M68-P77 HydrophobicContact SD-CG 3.76Å
69V97Very high94.9Very high44 Ų4469 Ų6927%0.26733%0.33SS..Hα-helixtrans-62.3-41.8179.1168.10000111.5L65 I66 G73 F74 P77L65-V69 HydrophobicContact CD1-CG2 4.27Å; L65-V69 WeakPolarHBondContact O-CG2 3.39Å; L65-V69 PolarHBondContact O-N 3.15Å; I66-V69 PolarHBondContact O-N 3.35Å; V69-G73 CarbonylContact O-C 3.39Å; V69-G73 WeakPolarHBondContact O-CA 3.34Å; V69-G73 PolarHBondContact O-N 3.24Å; V69-F74 HydrophobicContact CG1-CB 4.31Å; V69-F74 HydrophobicContact CG1-CD2 4.35Å; V69-P77 HydrophobicContact CG2-CG 3.66Å
70R96.6Very high95Very high198 Ų19858.3 Ų58.375%0.74729%0.291SS*.Hα-helixtrans-65-37.5177.8-75.4177.4179.1-176.8-0.6113.1I66 N67 M68I66-R70 HydrophobicContact CG2-CG 4.48Å; I66-R70 WeakPolarHBondContact O-CB 3.11Å; I66-R70 VanDerWaalsContact O-CG 3.3Å; I66-R70 WeakPolarHBondContact O-CG 3.31Å; I66-R70 PolarHBondContact O-N 3.14Å; N67-R70 PolarHBondContact O-N 2.72Å; M68-R70 VanDerWaalsContact C-N 3.35Å; M68-R70 PolarHBondContact O-N 2.84Å
71R95.9Very high95.1Very high105 Ų10557.3 Ų57.340%0.39628%0.283SS..Hα-helixtrans-84.3-41.2-176.2-72.5-174.5-64.2-116.3-2113.8P54 E55 N67 M68P54-R71 VanDerWaalsContact CB-CZ 3.5Å; P54-R71 VanDerWaalsContact CB-NH1 3.3Å; E55-R71 VanDerWaalsContact CD-NH2 3.31Å; E55-R71 IonicContact OE1-CZ 3.38Å; E55-R71 IonicContact OE1-NH2 3.62Å; E55-R71 PolarHBondContact OE1-NH2 3.35Å; N67-R71 WeakPolarHBondContact O-CB 3.2Å; N67-R71 WeakPolarHBondContact O-CG 3.38Å; N67-R71 PolarHBondContact O-N 3.45Å; N67-R71 PolarHBondContact O-NE 3.02Å; M68-R71 PolarHBondContact O-N 3.09Å
72E95.4Very high95.1Very high57 Ų5760.9 Ų60.927%0.26630%0.301SS..Hα-helixtrans-117.7-1.7-168.6-68.2166.5-95.900113.4R46 M68 R76 W146R46-E72 IonicContact CZ-OE1 2.9Å; R46-E72 IonicContact CZ-OE2 2.72Å; R46-E72 IonicContact NH1-OE1 3.95Å; R46-E72 PolarHBondContact NH1-OE1 3.43Å; R46-E72 IonicContact NH1-OE2 3.23Å; R46-E72 IonicContact NH2-OE1 3.32Å; R46-E72 PolarHBondContact NH2-OE1 3.29Å; R46-E72 IonicContact NH2-OE2 3.14Å; R46-E72 PolarHBondContact NH2-OE2 2.86Å; M68-E72 PolarHBondContact O-N 3.18Å; E72-R76 HydrophobicContact CB-CB 3.74Å; E72-R76 HydrophobicContact CB-CG 3.54Å; E72-R76 HydrophobicContact CG-CG 4.32Å; E72-R76 WeakPolarHBondContact OE2-CG 3.48Å; E72-R76 IonicContact OE2-CZ 2.65Å; E72-R76 IonicContact OE2-NE 3.23Å; E72-R76 PolarHBondContact OE2-NE 3.18Å; E72-R76 IonicContact OE2-NH2 3.39Å; E72-R76 PolarHBondContact OE2-NH2 3.13Å; E72-W146 HydrophobicContact CG-CH2 4.48Å; E72-W146 HydrophobicContact CG-CZ3 4.41Å; E72-W146 WeakPolarHBondContact OE1-CZ3 3.48Å
73G94.9Very high95.1Very high33 Ų3358.6 Ų58.634%0.3429%0.287SS..  trans94.4160.717900000114.1V69 L75 R76V69-G73 CarbonylContact O-C 3.39Å; V69-G73 WeakPolarHBondContact O-CA 3.34Å; V69-G73 PolarHBondContact O-N 3.24Å; G73-L75 VanDerWaalsContact C-N 3.3Å; G73-L75 PolarHBondContact O-N 3.19Å; G73-R76 VanDerWaalsContact O-CB 3.32Å; G73-R76 WeakPolarHBondContact O-CB 3.36Å; G73-R76 PolarHBondContact O-N 3.04Å; G73-R76 VanDerWaalsContact O-N 3.12Å
74F94.8Very high94.9Very high151 Ų15157 Ų5766%0.66228%0.275SS*.THydrogen-bonded Turntrans-62.1-30.9-173.9177.5-100.6000114.6V69 R76 P77V69-F74 HydrophobicContact CG1-CB 4.31Å; V69-F74 HydrophobicContact CG1-CD2 4.35Å; F74-R76 VanDerWaalsContact C-N 3.31Å; F74-P77 VanDerWaalsContact O-CD 3.31Å; F74-P77 WeakPolarHBondContact O-CD 3.47Å
75L94.3Very high94.7Very high130 Ų13060.2 Ų60.268%0.68129%0.293SS*.THydrogen-bonded Turntrans-81.8-10.7179.7-62.6178.7000113.1G73 L78G73-L75 VanDerWaalsContact C-N 3.3Å; G73-L75 PolarHBondContact O-N 3.19Å; L75-L78 HydrophobicContact CD2-CD1 4.39Å; L75-L78 PolarHBondContact O-N 3.42Å
76R94.4Very high94.5Very high31 Ų3163.3 Ų63.312%0.11731%0.314CS..G310 helixtrans-62.2-45.5-175.4-173.166.5161.9136.620.6113.5M68 E72 G73 F74 L78 R79 V145M68-R76 HydrophobicContact CG-CG 4.39Å; E72-R76 HydrophobicContact CB-CB 3.74Å; E72-R76 HydrophobicContact CB-CG 3.54Å; E72-R76 HydrophobicContact CG-CG 4.32Å; E72-R76 WeakPolarHBondContact OE2-CG 3.48Å; E72-R76 IonicContact OE2-CZ 2.65Å; E72-R76 IonicContact OE2-NE 3.23Å; E72-R76 PolarHBondContact OE2-NE 3.18Å; E72-R76 IonicContact OE2-NH2 3.39Å; E72-R76 PolarHBondContact OE2-NH2 3.13Å; G73-R76 VanDerWaalsContact O-CB 3.32Å; G73-R76 WeakPolarHBondContact O-CB 3.36Å; G73-R76 PolarHBondContact O-N 3.04Å; G73-R76 VanDerWaalsContact O-N 3.12Å; F74-R76 VanDerWaalsContact C-N 3.31Å; R76-L78 PolarHBondContact O-N 3.04Å; R76-L78 VanDerWaalsContact O-N 3.12Å; R76-R79 VanDerWaalsContact NH1-NH1 3.13Å; R76-R79 WeakPolarHBondContact O-CB 3.45Å; R76-R79 PolarHBondContact O-N 3.28Å; R76-R79 VanDerWaalsContact O-N 3.14Å; R76-V145 PolarHBondContact NH2-O 3.11Å
77P95.2Very high94.2Very high3 Ų359.9 Ų59.92%0.01930%0.298CS..G310 helixtrans-62.8-18.3178.7-19.631.8000113.5F38 P39 S42 L65 M68 V69 F74F38-P77 WeakPolarHBondContact CD1-O 3.43Å; F38-P77 WeakPolarHBondContact CE1-O 3.33Å; P39-P77 HydrophobicContact CB-CB 3.74Å; S42-P77 PolarHBondContact OG-O 3.05Å; L65-P77 HydrophobicContact CD1-CB 3.83Å; L65-P77 HydrophobicContact CD1-CG 3.64Å; M68-P77 HydrophobicContact CG-CG 4.26Å; M68-P77 HydrophobicContact SD-CB 3.99Å; M68-P77 HydrophobicContact SD-CG 3.76Å; V69-P77 HydrophobicContact CG2-CG 3.66Å; F74-P77 VanDerWaalsContact O-CD 3.31Å; F74-P77 WeakPolarHBondContact O-CD 3.47Å
78L95Very high93.8Very high56 Ų5657.4 Ų57.429%0.29329%0.285SS..G310 helixtrans-90.8-0.2-179.6-58.6176.9000113.3F38 P39 L75 R76 G80 I81F38-L78 HydrophobicContact CD1-CD2 4.47Å; P39-L78 HydrophobicContact CG-CD2 3.94Å; L75-L78 HydrophobicContact CD2-CD1 4.39Å; L75-L78 PolarHBondContact O-N 3.42Å; R76-L78 PolarHBondContact O-N 3.04Å; R76-L78 VanDerWaalsContact O-N 3.12Å; L78-G80 PolarHBondContact O-N 3.35Å; L78-I81 HydrophobicContact CB-CG2 4.42Å; L78-I81 HydrophobicContact CD2-CD1 4.11Å; L78-I81 VanDerWaalsContact O-CB 3.3Å; L78-I81 WeakPolarHBondContact O-CB 3.29Å; L78-I81 WeakPolarHBondContact O-CG2 3.36Å; L78-I81 PolarHBondContact O-N 3.41Å
79R93.6Very high93.3Very high72 Ų7259.5 Ų59.527%0.27230%0.302SS..THydrogen-bonded Turntrans-69.3118.2-176.4-159.4-170.8178.7138.4-28.5110.5R76 M143 F150R76-R79 VanDerWaalsContact NH1-NH1 3.13Å; R76-R79 WeakPolarHBondContact O-CB 3.45Å; R76-R79 PolarHBondContact O-N 3.28Å; R76-R79 VanDerWaalsContact O-N 3.14Å; R79-M143 HydrophobicContact CG-CE 3.56Å; R79-M143 VanDerWaalsContact NE-CE 3.3Å; R79-F150 VanDerWaalsContact CZ-O 3.3Å; R79-F150 PolarHBondContact NE-O 3.5Å; R79-F150 PolarHBondContact NH2-O 3.43Å
80G92.5Very high93Very high3 Ų360 Ų603%0.03131%0.306CS..THydrogen-bonded Turntrans104.2-9.1-17400000113.9F38 L78 N82 V83F38-G80 VanDerWaalsContact CZ-C 3.47Å; L78-G80 PolarHBondContact O-N 3.35Å; G80-N82 PolarHBondContact O-N 2.91Å; G80-N82 VanDerWaalsContact O-N 3.13Å; G80-V83 WeakPolarHBondContact O-CG1 3.37Å; G80-V83 PolarHBondContact O-N 2.89Å; G80-V83 VanDerWaalsContact O-N 3.07Å
81I94.1Very high92.7Very high42 Ų4250.6 Ų50.622%0.21527%0.271CS..Hα-helixtrans-57.8-32.7-178.3-164.1168.3000112.8C35 F38 L78 V83 V84 V85C35-I81 HydrophobicContact CB-CD1 4.16Å; F38-I81 HydrophobicContact CB-CD1 4.11Å; F38-I81 HydrophobicContact CB-CG1 4.45Å; F38-I81 HydrophobicContact CD1-CB 4.1Å; F38-I81 HydrophobicContact CD1-CG1 4.42Å; F38-I81 HydrophobicContact CD2-CB 4.15Å; F38-I81 HydrophobicContact CD2-CG1 3.98Å; F38-I81 HydrophobicContact CE1-CB 4.07Å; F38-I81 HydrophobicContact CE2-CB 4.1Å; F38-I81 HydrophobicContact CE2-CG1 4.37Å; F38-I81 HydrophobicContact CG-CB 4.15Å; F38-I81 HydrophobicContact CG-CD1 4.14Å; F38-I81 HydrophobicContact CG-CG1 4.02Å; F38-I81 HydrophobicContact CZ-CB 4.09Å; L78-I81 HydrophobicContact CB-CG2 4.42Å; L78-I81 HydrophobicContact CD2-CD1 4.11Å; L78-I81 VanDerWaalsContact O-CB 3.3Å; L78-I81 WeakPolarHBondContact O-CB 3.29Å; L78-I81 WeakPolarHBondContact O-CG2 3.36Å; L78-I81 PolarHBondContact O-N 3.41Å; I81-V83 VanDerWaalsContact C-N 3.31Å; I81-V83 PolarHBondContact O-N 3.12Å; I81-V84 PolarHBondContact O-N 3.46Å; I81-V84 VanDerWaalsContact O-N 3.14Å; I81-V85 HydrophobicContact CG1-CG2 4.4Å; I81-V85 WeakPolarHBondContact O-CG2 3.43Å; I81-V85 PolarHBondContact O-N 3.4Å
82N93.7Very high92.2Very high84 Ų8446.7 Ų46.745%0.44926%0.257SS..Hα-helixtrans-59.2-39.5178.467.2-49.9000112.6G80 V84 V85 T86 S153G80-N82 PolarHBondContact O-N 2.91Å; G80-N82 VanDerWaalsContact O-N 3.13Å; N82-V84 VanDerWaalsContact C-N 3.28Å; N82-V84 PolarHBondContact O-N 3.28Å; N82-V85 PolarHBondContact O-N 3.23Å; N82-T86 WeakPolarHBondContact O-CG2 3.26Å; N82-T86 PolarHBondContact O-N 3.12Å; N82-T86 PolarHBondContact O-OG1 3.43Å; N82-S153 PolarHBondContact OD1-OG 3.45Å
83V93.7Very high91.8Very high21 Ų2146 Ų4613%0.12726%0.261CS..Hα-helixtrans-68.1-34.1-18078.30000111.1G80 I81 T86 G87 V136 V139 K140G80-V83 WeakPolarHBondContact O-CG1 3.37Å; G80-V83 PolarHBondContact O-N 2.89Å; G80-V83 VanDerWaalsContact O-N 3.07Å; I81-V83 VanDerWaalsContact C-N 3.31Å; I81-V83 PolarHBondContact O-N 3.12Å; V83-T86 WeakPolarHBondContact CA-OG1 3.46Å; V83-T86 PolarHBondContact O-OG1 2.91Å; V83-G87 PolarHBondContact O-N 3.35Å; V83-V136 HydrophobicContact CG1-CG1 4.11Å; V83-V136 HydrophobicContact CG2-CG1 4.25Å; V83-V136 HydrophobicContact CG2-CG2 4.49Å; V83-V136 VanDerWaalsContact O-CG1 3.31Å; V83-V136 WeakPolarHBondContact O-CG1 3.44Å; V83-V139 HydrophobicContact CB-CG1 4.32Å; V83-V139 HydrophobicContact CG1-CB 4.27Å; V83-V139 HydrophobicContact CG1-CG1 4.12Å; V83-V139 HydrophobicContact CG2-CB 4.18Å; V83-V139 HydrophobicContact CG2-CG1 4.12Å; V83-K140 HydrophobicContact CG1-CB 4.06Å
84V92.4Very high91.5Very high1 Ų149.6 Ų49.61%0.00627%0.268CS..Hα-helixtrans-69.8-47.3177.4-178.30000110.7H34 F38 I81 N82 T86 G87 A88 V136 K140H34-V84 HydrophobicContact CB-CG1 3.72Å; F38-V84 HydrophobicContact CD2-CG2 4.34Å; F38-V84 HydrophobicContact CE2-CB 4.47Å; F38-V84 HydrophobicContact CE2-CG2 3.72Å; I81-V84 PolarHBondContact O-N 3.46Å; I81-V84 VanDerWaalsContact O-N 3.14Å; N82-V84 VanDerWaalsContact C-N 3.28Å; N82-V84 PolarHBondContact O-N 3.28Å; V84-T86 VanDerWaalsContact C-N 3.29Å; V84-T86 PolarHBondContact O-N 3.14Å; V84-G87 PolarHBondContact O-N 2.9Å; V84-G87 VanDerWaalsContact O-N 3.15Å; V84-A88 HydrophobicContact CG1-CB 4.39Å; V84-A88 WeakPolarHBondContact O-CB 3.44Å; V84-A88 PolarHBondContact O-N 3.26Å; V84-V136 HydrophobicContact CG2-CG1 4.23Å; V84-K140 HydrophobicContact CG2-CB 4.12Å; V84-K140 HydrophobicContact CG2-CD 3.36Å; V84-K140 HydrophobicContact CG2-CG 3.75Å
85V91.4Very high91.2Very high67 Ų6745.2 Ų45.241%0.40625%0.247SC..Hα-helixtrans-58.6-43.7176.7174.80000111C35 I81 N82 G87C35-V85 VanDerWaalsContact SG-CG2 3.56Å; I81-V85 HydrophobicContact CG1-CG2 4.4Å; I81-V85 WeakPolarHBondContact O-CG2 3.43Å; I81-V85 PolarHBondContact O-N 3.4Å; N82-V85 PolarHBondContact O-N 3.23Å; V85-G87 VanDerWaalsContact C-N 3.32Å; V85-G87 PolarHBondContact O-N 3.12Å
86T90.7Very high90.8Very high101 Ų10141.6 Ų41.662%0.6223%0.226SC*.Hα-helixtrans-70.8-27.5179.254.50000113.7N82 V83 V84 P90N82-T86 WeakPolarHBondContact O-CG2 3.26Å; N82-T86 PolarHBondContact O-N 3.12Å; N82-T86 PolarHBondContact O-OG1 3.43Å; V83-T86 WeakPolarHBondContact CA-OG1 3.46Å; V83-T86 PolarHBondContact O-OG1 2.91Å; V84-T86 VanDerWaalsContact C-N 3.29Å; V84-T86 PolarHBondContact O-N 3.14Å; T86-P90 VanDerWaalsContact O-CD 3.3Å; T86-P90 WeakPolarHBondContact O-CD 3.38Å; T86-P90 WeakPolarHBondContact O-CG 3.49Å
87G91.5Very high90.4Very high6 Ų643.2 Ų43.26%0.06224%0.239CC..Hα-helixtrans-96.1-33.9-174.500000114.9V83 V84 V85 P90 A91V83-G87 PolarHBondContact O-N 3.35Å; V84-G87 PolarHBondContact O-N 2.9Å; V84-G87 VanDerWaalsContact O-N 3.15Å; V85-G87 VanDerWaalsContact C-N 3.32Å; V85-G87 PolarHBondContact O-N 3.12Å; G87-P90 WeakPolarHBondContact O-CD 3.27Å; G87-P90 WeakPolarHBondContact O-CG 3.45Å; G87-A91 WeakPolarHBondContact O-CB 3.46Å; G87-A91 PolarHBondContact O-N 3.42Å
88A87.8Confident90.1Very high0 Ų044.6 Ų44.60%025%0.246CC..Hα-helixtrans-67.9-48.8-175.200000111.3T31 V84 A91 H92 M133T31-A88 HydrophobicContact CG2-CB 4.38Å; V84-A88 HydrophobicContact CG1-CB 4.39Å; V84-A88 WeakPolarHBondContact O-CB 3.44Å; V84-A88 PolarHBondContact O-N 3.26Å; A88-A91 PolarHBondContact O-N 3.15Å; A88-H92 WeakPolarHBondContact O-CB 3.41Å; A88-H92 PolarHBondContact O-N 3.4Å; A88-H92 PolarHBondContact O-ND1 3.14Å; A88-M133 HydrophobicContact CB-SD 4.46Å
89A85.3Confident89.7Confident45 Ų4543 Ų4337%0.37224%0.236SC..Hα-helixtrans-54-52.9-179.200000113.5H92 A93A89-H92 PolarHBondContact O-N 2.8Å; A89-A93 WeakPolarHBondContact O-CB 3.48Å; A89-A93 PolarHBondContact O-N 3.24Å
90P89.5Confident89.2Confident54 Ų5442.3 Ų42.335%0.35124%0.236SC..Hα-helixtrans-65.3-40.3177.123.5-31.8000112.1T86 G87 H92 A93 F94T86-P90 VanDerWaalsContact O-CD 3.3Å; T86-P90 WeakPolarHBondContact O-CD 3.38Å; T86-P90 WeakPolarHBondContact O-CG 3.49Å; G87-P90 WeakPolarHBondContact O-CD 3.27Å; G87-P90 WeakPolarHBondContact O-CG 3.45Å; P90-H92 PolarHBondContact O-N 3.19Å; P90-A93 PolarHBondContact O-N 2.92Å; P90-F94 VanDerWaalsContact O-CD2 3.23Å; P90-F94 WeakPolarHBondContact O-CD2 3.39Å; P90-F94 PolarHBondContact O-N 3.36Å
91A90.6Very high89Confident0 Ų049.3 Ų49.30%027%0.266CS..Hα-helixtrans-59.8-45.5178.700000112.3G87 A88 F94 Y95 H129 I132 M133G87-A91 WeakPolarHBondContact O-CB 3.46Å; G87-A91 PolarHBondContact O-N 3.42Å; A88-A91 PolarHBondContact O-N 3.15Å; A91-F94 PolarHBondContact O-N 3.31Å; A91-Y95 WeakPolarHBondContact O-CB 3.38Å; A91-Y95 PolarHBondContact O-N 3.44Å; A91-H129 PolarHBondContact O-CD2 3.35Å; A91-I132 HydrophobicContact CB-CB 4.09Å; A91-I132 HydrophobicContact CB-CG2 3.84Å; A91-M133 HydrophobicContact CB-CG 3.43Å; A91-M133 VanDerWaalsContact CB-CG 3.43Å; A91-M133 HydrophobicContact CB-SD 3.8Å
92H86.2Confident88.8Confident23 Ų2348.3 Ų48.311%0.10626%0.262CS..Hα-helixtrans-66.7-40.7177.5-71.467.1000111.2A27 A88 A89 P90 F94 Y95 F96 H129A27-H92 HydrophobicContact CB-CB 3.78Å; A88-H92 WeakPolarHBondContact O-CB 3.41Å; A88-H92 PolarHBondContact O-N 3.4Å; A88-H92 PolarHBondContact O-ND1 3.14Å; A89-H92 PolarHBondContact O-N 2.8Å; P90-H92 PolarHBondContact O-N 3.19Å; H92-F94 VanDerWaalsContact C-N 3.34Å; H92-F94 PolarHBondContact O-N 3.42Å; H92-Y95 WeakPolarHBondContact O-CB 3.24Å; H92-Y95 PolarHBondContact O-N 2.85Å; H92-F96 HydrophobicContact CB-CE2 4.43Å; H92-F96 WeakPolarHBondContact O-CD2 3.36Å; H92-F96 PolarHBondContact O-N 3.18Å; H92-H129 AromaticContact CE1-NE2 3.85Å; H92-H129 AromaticContact ND1-NE2 3.92Å
93A85.4Confident88.4Confident43 Ų4345.8 Ų45.836%0.35525%0.247SC..Hα-helixtrans-59.3-44.8175.600000112A89 P90 T97A89-A93 WeakPolarHBondContact O-CB 3.48Å; A89-A93 PolarHBondContact O-N 3.24Å; P90-A93 PolarHBondContact O-N 2.92Å; A93-T97 VanDerWaalsContact O-CB 3.28Å; A93-T97 WeakPolarHBondContact O-CB 3.35Å; A93-T97 PolarHBondContact O-N 2.96Å; A93-T97 PolarHBondContact O-OG1 2.86Å
94F89.4Confident88.1Confident108 Ų10851.2 Ų51.247%0.47427%0.269SS..Hα-helixtrans-66-43.7175.1-85.2-73.2000112.3P90 A91 H92 F96 T97 I98 V128 I132P90-F94 VanDerWaalsContact O-CD2 3.23Å; P90-F94 WeakPolarHBondContact O-CD2 3.39Å; P90-F94 PolarHBondContact O-N 3.36Å; A91-F94 PolarHBondContact O-N 3.31Å; H92-F94 VanDerWaalsContact C-N 3.34Å; H92-F94 PolarHBondContact O-N 3.42Å; F94-F96 PolarHBondContact O-N 2.77Å; F94-T97 PolarHBondContact O-N 3.45Å; F94-I98 HydrophobicContact CB-CD1 4.43Å; F94-I98 HydrophobicContact CD1-CD1 4.47Å; F94-I98 WeakPolarHBondContact O-CB 3.13Å; F94-I98 WeakPolarHBondContact O-CD1 3.34Å; F94-I98 VanDerWaalsContact O-CG1 3.25Å; F94-I98 WeakPolarHBondContact O-CG1 3.47Å; F94-I98 PolarHBondContact O-N 3.38Å; F94-V128 HydrophobicContact CB-CG1 4.42Å; F94-I132 HydrophobicContact CB-CD1 3.83Å; F94-I132 HydrophobicContact CD2-CD1 3.4Å; F94-I132 VanDerWaalsContact CD2-CD1 3.4Å; F94-I132 HydrophobicContact CE2-CD1 4.14Å; F94-I132 HydrophobicContact CG-CD1 3.73Å
95Y89.4Confident88Confident60 Ų6059 Ų5924%0.23530%0.303CS..Hα-helixtrans-50.2-59176.6178.6-92.1000110.5A91 H92 T97 I98 Y99 A125 H129A91-Y95 WeakPolarHBondContact O-CB 3.38Å; A91-Y95 PolarHBondContact O-N 3.44Å; H92-Y95 WeakPolarHBondContact O-CB 3.24Å; H92-Y95 PolarHBondContact O-N 2.85Å; Y95-T97 PolarHBondContact O-N 3.34Å; Y95-I98 PolarHBondContact O-N 3.44Å; Y95-Y99 VanDerWaalsContact O-CB 3.32Å; Y95-Y99 WeakPolarHBondContact O-CB 3.4Å; Y95-Y99 PolarHBondContact O-N 2.78Å; Y95-A125 HydrophobicContact CD2-CB 3.65Å; Y95-A125 HydrophobicContact CE2-CB 3.71Å; Y95-A125 HydrophobicContact CG-CB 4.14Å; Y95-A125 VanDerWaalsContact O-CB 3.31Å; Y95-A125 WeakPolarHBondContact O-CB 3.5Å; Y95-H129 HydrophobicContact CD2-CB 3.78Å; Y95-H129 HydrophobicContact CG-CB 4.38Å
96F84.5Confident87.8Confident54 Ų5459.4 Ų59.424%0.23730%0.303CS..Hα-helixtrans-70.7-34.9-174.6-67.8-70.4000112.7L23 H92 F94 I98 Y99 E100L23-F96 HydrophobicContact CD2-CB 3.07Å; L23-F96 HydrophobicContact CD2-CG 3.94Å; L23-F96 HydrophobicContact CG-CB 4.42Å; H92-F96 HydrophobicContact CB-CE2 4.43Å; H92-F96 WeakPolarHBondContact O-CD2 3.36Å; H92-F96 PolarHBondContact O-N 3.18Å; F94-F96 PolarHBondContact O-N 2.77Å; F96-I98 PolarHBondContact O-N 3.29Å; F96-Y99 PolarHBondContact O-N 2.78Å; F96-E100 WeakPolarHBondContact O-CG 3.5Å; F96-E100 PolarHBondContact O-N 2.73Å
97T86.5Confident87.6Confident64 Ų6455.4 Ų55.439%0.39328%0.278SS..Hα-helixtrans-61.9-44.9175.9-60.30000111.2A93 F94 Y95 K101A93-T97 VanDerWaalsContact O-CB 3.28Å; A93-T97 WeakPolarHBondContact O-CB 3.35Å; A93-T97 PolarHBondContact O-N 2.96Å; A93-T97 PolarHBondContact O-OG1 2.86Å; F94-T97 PolarHBondContact O-N 3.45Å; Y95-T97 PolarHBondContact O-N 3.34Å; T97-K101 HydrophobicContact CG2-CG 4.48Å; T97-K101 WeakPolarHBondContact O-CB 3.3Å; T97-K101 VanDerWaalsContact O-CG 3.26Å; T97-K101 WeakPolarHBondContact O-CG 3.27Å; T97-K101 PolarHBondContact O-N 3.04Å
98I88.5Confident87.2Confident33 Ų3357.8 Ų57.817%0.16930%0.303CS..Hα-helixtrans-68.6-44.2179.7-69.6167000110.1F94 Y95 F96 E100 K101 V102 M124 A125 V128F94-I98 HydrophobicContact CB-CD1 4.43Å; F94-I98 HydrophobicContact CD1-CD1 4.47Å; F94-I98 WeakPolarHBondContact O-CB 3.13Å; F94-I98 WeakPolarHBondContact O-CD1 3.34Å; F94-I98 VanDerWaalsContact O-CG1 3.25Å; F94-I98 WeakPolarHBondContact O-CG1 3.47Å; F94-I98 PolarHBondContact O-N 3.38Å; Y95-I98 PolarHBondContact O-N 3.44Å; F96-I98 PolarHBondContact O-N 3.29Å; I98-E100 VanDerWaalsContact C-N 3.35Å; I98-E100 PolarHBondContact O-N 2.74Å; I98-K101 PolarHBondContact O-N 3.1Å; I98-V102 HydrophobicContact CG2-CG2 3.97Å; I98-V102 WeakPolarHBondContact O-CB 3.09Å; I98-V102 VanDerWaalsContact O-CG2 3.27Å; I98-V102 WeakPolarHBondContact O-CG2 3.32Å; I98-V102 PolarHBondContact O-N 3Å; I98-M124 HydrophobicContact CG2-CB 4.26Å; I98-A125 HydrophobicContact CB-CB 4.41Å; I98-A125 HydrophobicContact CG2-CB 4.24Å; I98-V128 HydrophobicContact CD1-CB 3.42Å; I98-V128 VanDerWaalsContact CD1-CB 3.42Å; I98-V128 HydrophobicContact CD1-CG1 3.39Å; I98-V128 HydrophobicContact CD1-CG2 3.63Å
99Y87.4Confident86.6Confident22 Ų2259.6 Ų59.69%0.08632%0.321CS..Hα-helixtrans-53.3-52.7175.4179.3-93.6000110.9E12 Y95 F96 K101 K103 Y118 A121E12-Y99 VanDerWaalsContact CD-OH 3.26Å; E12-Y99 PolarHBondContact OE1-OH 3.43Å; E12-Y99 PolarHBondContact OE2-OH 2.97Å; Y95-Y99 VanDerWaalsContact O-CB 3.32Å; Y95-Y99 WeakPolarHBondContact O-CB 3.4Å; Y95-Y99 PolarHBondContact O-N 2.78Å; F96-Y99 PolarHBondContact O-N 2.78Å; Y99-K101 PolarHBondContact O-N 2.7Å; Y99-K103 HydrophobicContact CE1-CD 4.06Å; Y99-K103 WeakPolarHBondContact O-CB 3.45Å; Y99-K103 PolarHBondContact O-N 3.32Å; Y99-Y118 WeakPolarHBondContact OH-CD1 3.45Å; Y99-A121 HydrophobicContact CD2-CB 3.99Å; Y99-A121 HydrophobicContact CE2-CB 4.23Å
100E83.6Confident86Confident57 Ų5766.7 Ų66.727%0.26634%0.338SS..Hα-helixtrans-63-43.7179.6-73-57.6132.100112.9V19 F96 I98 K103 F104V19-E100 HydrophobicContact CG1-CG 4.07Å; F96-E100 WeakPolarHBondContact O-CG 3.5Å; F96-E100 PolarHBondContact O-N 2.73Å; I98-E100 VanDerWaalsContact C-N 3.35Å; I98-E100 PolarHBondContact O-N 2.74Å; E100-K103 IonicContact OE1-NZ 3.87Å; E100-K103 PolarHBondContact OE1-NZ 3.19Å; E100-K103 WeakPolarHBondContact OE2-CE 3.32Å; E100-K103 IonicContact OE2-NZ 3.67Å; E100-K103 PolarHBondContact OE2-NZ 3.23Å; E100-F104 WeakPolarHBondContact O-CB 3.34Å; E100-F104 PolarHBondContact O-N 2.67Å
101K88.1Confident85Confident150 Ų15071.3 Ų71.365%0.65236%0.36SS*.Hα-helixtrans-66.5-44.4-179.1-73.9-70.9-176.4-177.70112.3T97 I98 Y99 F105T97-K101 HydrophobicContact CG2-CG 4.48Å; T97-K101 WeakPolarHBondContact O-CB 3.3Å; T97-K101 VanDerWaalsContact O-CG 3.26Å; T97-K101 WeakPolarHBondContact O-CG 3.27Å; T97-K101 PolarHBondContact O-N 3.04Å; I98-K101 PolarHBondContact O-N 3.1Å; Y99-K101 PolarHBondContact O-N 2.7Å; K101-F105 VanDerWaalsContact O-CB 3.29Å; K101-F105 WeakPolarHBondContact O-CB 3.39Å; K101-F105 PolarHBondContact O-N 3.48Å
102V88.7Confident83.9Confident21 Ų2172.6 Ų72.613%0.12737%0.373CS..Hα-helixtrans-69.8-43.3179.3176.80000110.2I98 F104 F105 L106 A121 M124I98-V102 HydrophobicContact CG2-CG2 3.97Å; I98-V102 WeakPolarHBondContact O-CB 3.09Å; I98-V102 VanDerWaalsContact O-CG2 3.27Å; I98-V102 WeakPolarHBondContact O-CG2 3.32Å; I98-V102 PolarHBondContact O-N 3Å; V102-F104 PolarHBondContact O-N 3.26Å; V102-F105 PolarHBondContact O-N 3.04Å; V102-L106 HydrophobicContact CG1-CD1 3.69Å; V102-L106 HydrophobicContact CG1-CG 4.19Å; V102-L106 WeakPolarHBondContact O-CB 3.17Å; V102-L106 WeakPolarHBondContact O-CG 3.38Å; V102-L106 PolarHBondContact O-N 2.76Å; V102-A121 HydrophobicContact CB-CB 3.95Å; V102-A121 HydrophobicContact CG1-CB 3.86Å; V102-M124 HydrophobicContact CG1-SD 3.82Å; V102-M124 HydrophobicContact CG2-CB 4.39Å; V102-M124 HydrophobicContact CG2-CE 4.06Å; V102-M124 HydrophobicContact CG2-SD 3.89Å
103K85.8Confident83.2Confident32 Ų3277.8 Ų77.814%0.13940%0.397CS..Hα-helixtrans-56.5-51173.7179.6-173.967.3-176.30111Y99 E100 F105 L106 T107 Y118 A121Y99-K103 HydrophobicContact CE1-CD 4.06Å; Y99-K103 WeakPolarHBondContact O-CB 3.45Å; Y99-K103 PolarHBondContact O-N 3.32Å; E100-K103 IonicContact OE1-NZ 3.87Å; E100-K103 PolarHBondContact OE1-NZ 3.19Å; E100-K103 WeakPolarHBondContact OE2-CE 3.32Å; E100-K103 IonicContact OE2-NZ 3.67Å; E100-K103 PolarHBondContact OE2-NZ 3.23Å; K103-F105 VanDerWaalsContact C-N 3.33Å; K103-F105 PolarHBondContact O-N 2.98Å; K103-L106 PolarHBondContact O-N 2.87Å; K103-T107 HydrophobicContact CG-CG2 4.44Å; K103-T107 WeakPolarHBondContact O-CB 3.23Å; K103-T107 WeakPolarHBondContact O-CG2 3.48Å; K103-T107 PolarHBondContact O-N 3.44Å; K103-T107 PolarHBondContact O-OG1 3.01Å; K103-Y118 HydrophobicContact CD-CD1 3.83Å; K103-Y118 HydrophobicContact CD-CE1 3.49Å; K103-Y118 VanDerWaalsContact CD-CE1 3.49Å; K103-Y118 HydrophobicContact CG-CD1 4.15Å; K103-Y118 HydrophobicContact CG-CE1 3.99Å; K103-A121 HydrophobicContact CB-CB 4.01Å
104F86.8Confident82.9Confident134 Ų13479.5 Ų79.559%0.58840%0.397SS*.Hα-helixtrans-60.8-42.5179.3-177-93.3000111.9E100 V102 G108 G109E100-F104 WeakPolarHBondContact O-CB 3.34Å; E100-F104 PolarHBondContact O-N 2.67Å; V102-F104 PolarHBondContact O-N 3.26Å; F104-G108 WeakPolarHBondContact O-CA 3.26Å; F104-G108 PolarHBondContact O-N 2.85Å; F104-G109 PolarHBondContact O-N 3.25Å; F104-G109 VanDerWaalsContact O-N 3.11Å
105F90Very high82.5Confident166 Ų16679.3 Ų79.373%0.72841%0.407SS*.Hα-helixtrans-63.4-45.7178-179.2-97.8000112.5K101 V102 K103K101-F105 VanDerWaalsContact O-CB 3.29Å; K101-F105 WeakPolarHBondContact O-CB 3.39Å; K101-F105 PolarHBondContact O-N 3.48Å; V102-F105 PolarHBondContact O-N 3.04Å; K103-F105 VanDerWaalsContact C-N 3.33Å; K103-F105 PolarHBondContact O-N 2.98Å
106L88.6Confident82.3Confident75 Ų7584.6 Ų84.639%0.39343%0.431SS..Hα-helixtrans-75.9-31.1-177.2-68.3177.1000113.5V102 K103 A117 A120V102-L106 HydrophobicContact CG1-CD1 3.69Å; V102-L106 HydrophobicContact CG1-CG 4.19Å; V102-L106 WeakPolarHBondContact O-CB 3.17Å; V102-L106 WeakPolarHBondContact O-CG 3.38Å; V102-L106 PolarHBondContact O-N 2.76Å; K103-L106 PolarHBondContact O-N 2.87Å; L106-A117 HydrophobicContact CB-CB 3.63Å; L106-A117 HydrophobicContact CD1-CB 4.29Å; L106-A120 HydrophobicContact CD1-CB 3.7Å
107T86.8Confident82.4Confident16 Ų1682.3 Ų82.310%0.09842%0.422CS..Hα-helixtrans-88-9.7176.758.80000112.9K103 G109 R110 H114 A117K103-T107 HydrophobicContact CG-CG2 4.44Å; K103-T107 WeakPolarHBondContact O-CB 3.23Å; K103-T107 WeakPolarHBondContact O-CG2 3.48Å; K103-T107 PolarHBondContact O-N 3.44Å; K103-T107 PolarHBondContact O-OG1 3.01Å; T107-G109 PolarHBondContact O-N 3Å; T107-G109 PolarHBondContact OG1-N 3.34Å; T107-R110 WeakPolarHBondContact O-CB 3.21Å; T107-R110 PolarHBondContact O-N 2.93Å; T107-R110 VanDerWaalsContact O-N 3.08Å; T107-H114 HydrophobicContact CG2-CB 4.05Å; T107-A117 HydrophobicContact CG2-CB 3.79Å
108G82.3Confident82.3Confident57 Ų5781 Ų8159%0.58841%0.41SS*.THydrogen-bonded Turntrans60.126.2-171.500000113F104 R110F104-G108 WeakPolarHBondContact O-CA 3.26Å; F104-G108 PolarHBondContact O-N 2.85Å; G108-R110 PolarHBondContact O-N 3.5Å
109G74.7Confident82.1Confident38 Ų3881.6 Ų81.639%0.39243%0.425SS..THydrogen-bonded Turntrans72.98.8-174.500000115.1F104 T107F104-G109 PolarHBondContact O-N 3.25Å; F104-G109 VanDerWaalsContact O-N 3.11Å; T107-G109 PolarHBondContact O-N 3Å; T107-G109 PolarHBondContact OG1-N 3.34Å
110R73.1Confident82.2Confident193 Ų19381.8 Ų81.873%0.72843%0.431SS*.  trans-82.8125.8176.9-62.5179.5179.7174.1-0.2110.1T107 G108 G112T107-R110 WeakPolarHBondContact O-CB 3.21Å; T107-R110 PolarHBondContact O-N 2.93Å; T107-R110 VanDerWaalsContact O-N 3.08Å; G108-R110 PolarHBondContact O-N 3.5Å; R110-G112 PolarHBondContact O-N 3.43Å
111L67.8Low82.4Confident152 Ų15279.1 Ų79.180%0.79642%0.418SS*.  trans-72.5117.6168.7-76.5149.5000108.3H13H13-L111 WeakPolarHBondContact ND1-CD2 3.41Å
112G69Low82.4Confident27 Ų2772.6 Ų72.628%0.27839%0.394SS..SBendtrans179.8166.1-178.700000112.4R110 H114 Y118R110-G112 PolarHBondContact O-N 3.43Å; G112-H114 PolarHBondContact O-N 2.72Å; G112-Y118 PolarHBondContact O-OH 2.89Å
113H71.9Confident82.4Confident131 Ų13174.4 Ų74.461%0.60641%0.411SS*.  trans-71.293.4177.2-98.186.4000110.7D9 P115D9-H113 IonicContact OD2-CE1 2.99Å; D9-H113 PolarHBondContact OD2-CE1 2.9Å; D9-H113 IonicContact OD2-ND1 3.95Å; D9-H113 IonicContact OD2-NE2 3.43Å; D9-H113 PolarHBondContact OD2-NE2 2.89Å; H113-P115 VanDerWaalsContact C-CD 3.49Å; H113-P115 WeakPolarHBondContact O-CD 3.47Å
114H78.9Confident82.7Confident80 Ų8077.9 Ų77.937%0.3743%0.429SS..  trans-121.166.6177-68.5-64.7000111T107 G112 F116 A117 Y118T107-H114 HydrophobicContact CG2-CB 4.05Å; G112-H114 PolarHBondContact O-N 2.72Å; H114-F116 PolarHBondContact O-N 3.41Å; H114-A117 HydrophobicContact CB-CB 3.79Å; H114-A117 WeakPolarHBondContact O-CA 3.47Å; H114-A117 WeakPolarHBondContact O-CB 3.33Å; H114-A117 PolarHBondContact O-N 3.32Å; H114-Y118 HydrophobicContact CB-CD2 4.39Å; H114-Y118 HydrophobicContact CB-CE2 4.17Å; H114-Y118 WeakPolarHBondContact O-CD2 3.35Å; H114-Y118 PolarHBondContact O-N 2.93Å; H114-Y118 VanDerWaalsContact O-N 3.17Å
115P80.6Confident82.8Confident103 Ų10371.5 Ų71.567%0.66940%0.401SS*.Hα-helixtrans-55.7-34.8-169.621.9-33.9000113.3H113 G119H113-P115 VanDerWaalsContact C-CD 3.49Å; H113-P115 WeakPolarHBondContact O-CD 3.47Å; P115-G119 PolarHBondContact O-N 3.34Å
116F85.3Confident82.8Confident171 Ų17165.1 Ų65.175%0.7538%0.376SS*.Hα-helixtrans-65.4-39.2174.6-177.3-98.2000112.9H114 A120H114-F116 PolarHBondContact O-N 3.41Å; F116-A120 VanDerWaalsContact O-CB 3.23Å; F116-A120 WeakPolarHBondContact O-CB 3.1Å; F116-A120 PolarHBondContact O-N 2.83Å
117A85.9Confident83.1Confident6 Ų664.6 Ų64.65%0.0538%0.376CS..Hα-helixtrans-66.5-46178.700000111.3L106 T107 H114 A120 A121L106-A117 HydrophobicContact CB-CB 3.63Å; L106-A117 HydrophobicContact CD1-CB 4.29Å; T107-A117 HydrophobicContact CG2-CB 3.79Å; H114-A117 HydrophobicContact CB-CB 3.79Å; H114-A117 WeakPolarHBondContact O-CA 3.47Å; H114-A117 WeakPolarHBondContact O-CB 3.33Å; H114-A117 PolarHBondContact O-N 3.32Å; A117-A120 PolarHBondContact O-N 2.8Å; A117-A121 VanDerWaalsContact O-CB 3.26Å; A117-A121 WeakPolarHBondContact O-CB 3.26Å; A117-A121 PolarHBondContact O-N 2.7Å
118Y84.4Confident83.4Confident37 Ų3766.3 Ų66.315%0.14539%0.386CS..Hα-helixtrans-62.9-45175.5-65.5-81.4000111.4Y99 K103 G112 H114 A121 G122Y99-Y118 WeakPolarHBondContact OH-CD1 3.45Å; K103-Y118 HydrophobicContact CD-CD1 3.83Å; K103-Y118 HydrophobicContact CD-CE1 3.49Å; K103-Y118 VanDerWaalsContact CD-CE1 3.49Å; K103-Y118 HydrophobicContact CG-CD1 4.15Å; K103-Y118 HydrophobicContact CG-CE1 3.99Å; G112-Y118 PolarHBondContact O-OH 2.89Å; H114-Y118 HydrophobicContact CB-CD2 4.39Å; H114-Y118 HydrophobicContact CB-CE2 4.17Å; H114-Y118 WeakPolarHBondContact O-CD2 3.35Å; H114-Y118 PolarHBondContact O-N 2.93Å; H114-Y118 VanDerWaalsContact O-N 3.17Å; Y118-A121 PolarHBondContact O-N 3.26Å; Y118-G122 PolarHBondContact O-N 2.92Å
119G85Confident83.9Confident46 Ų4665 Ų6547%0.47436%0.364SS..Hα-helixtrans-61.1-45.8176.500000113.1P115 G122 A123P115-G119 PolarHBondContact O-N 3.34Å; G119-G122 PolarHBondContact O-N 3.19Å; G119-A123 WeakPolarHBondContact O-CB 3.4Å; G119-A123 PolarHBondContact O-N 3.3Å
120A88.5Confident84.8Confident26 Ų2663.2 Ų63.222%0.21535%0.346CS..Hα-helixtrans-65.8-41.3177.400000112.1L106 F116 A117 A123 M124L106-A120 HydrophobicContact CD1-CB 3.7Å; F116-A120 VanDerWaalsContact O-CB 3.23Å; F116-A120 WeakPolarHBondContact O-CB 3.1Å; F116-A120 PolarHBondContact O-N 2.83Å; A117-A120 PolarHBondContact O-N 2.8Å; A120-A123 PolarHBondContact O-N 3.28Å; A120-M124 WeakPolarHBondContact O-CG 3.25Å; A120-M124 PolarHBondContact O-N 2.96Å
121A88.3Confident85.8Confident0 Ų055.4 Ų55.40%032%0.323CS..Hα-helixtrans-60.9-47174.700000111.8Y99 V102 K103 A117 Y118 A123 M124 A125Y99-A121 HydrophobicContact CD2-CB 3.99Å; Y99-A121 HydrophobicContact CE2-CB 4.23Å; V102-A121 HydrophobicContact CB-CB 3.95Å; V102-A121 HydrophobicContact CG1-CB 3.86Å; K103-A121 HydrophobicContact CB-CB 4.01Å; A117-A121 VanDerWaalsContact O-CB 3.26Å; A117-A121 WeakPolarHBondContact O-CB 3.26Å; A117-A121 PolarHBondContact O-N 2.7Å; Y118-A121 PolarHBondContact O-N 3.26Å; A121-A123 PolarHBondContact O-N 3.06Å; A121-M124 PolarHBondContact O-N 2.74Å; A121-A125 VanDerWaalsContact O-CB 3.24Å; A121-A125 WeakPolarHBondContact O-CB 3.4Å; A121-A125 PolarHBondContact O-N 3.46Å
122G87.1Confident87.1Confident14 Ų1450.7 Ų50.714%0.14430%0.298CS..Hα-helixtrans-60.5-43.4175.400000112.8Y118 G119 A125 T126Y118-G122 PolarHBondContact O-N 2.92Å; G119-G122 PolarHBondContact O-N 3.19Å; G122-A125 PolarHBondContact O-N 3.1Å; G122-T126 WeakPolarHBondContact O-CB 3.26Å; G122-T126 PolarHBondContact O-N 3.04Å; G122-T126 PolarHBondContact O-OG1 3.31Å
123A89.2Confident88.2Confident58 Ų5849.6 Ų49.648%0.47929%0.285SS..Hα-helixtrans-63.3-48.1177.900000112G119 A120 A121 T126 V127G119-A123 WeakPolarHBondContact O-CB 3.4Å; G119-A123 PolarHBondContact O-N 3.3Å; A120-A123 PolarHBondContact O-N 3.28Å; A121-A123 PolarHBondContact O-N 3.06Å; A123-T126 PolarHBondContact O-N 3.33Å; A123-V127 WeakPolarHBondContact O-CG2 3.18Å; A123-V127 PolarHBondContact O-N 3.16Å
124M91.9Very high89.3Confident105 Ų10543.3 Ų43.352%0.51726%0.256SS..Hα-helixtrans-64-41.9178.1-71.8-174.168.900112.3I98 V102 A120 A121 T126 V127 V128I98-M124 HydrophobicContact CG2-CB 4.26Å; V102-M124 HydrophobicContact CG1-SD 3.82Å; V102-M124 HydrophobicContact CG2-CB 4.39Å; V102-M124 HydrophobicContact CG2-CE 4.06Å; V102-M124 HydrophobicContact CG2-SD 3.89Å; A120-M124 WeakPolarHBondContact O-CG 3.25Å; A120-M124 PolarHBondContact O-N 2.96Å; A121-M124 PolarHBondContact O-N 2.74Å; M124-T126 VanDerWaalsContact C-N 3.34Å; M124-T126 PolarHBondContact O-N 3.38Å; M124-V127 PolarHBondContact O-N 2.83Å; M124-V128 PolarHBondContact O-N 3.26Å
125A89.8Confident90.1Very high0 Ų041 Ų410%025%0.248CC..Hα-helixtrans-60.6-43.9175.400000111.5Y95 I98 A121 G122 V128 H129Y95-A125 HydrophobicContact CD2-CB 3.65Å; Y95-A125 HydrophobicContact CE2-CB 3.71Å; Y95-A125 HydrophobicContact CG-CB 4.14Å; Y95-A125 VanDerWaalsContact O-CB 3.31Å; Y95-A125 WeakPolarHBondContact O-CB 3.5Å; I98-A125 HydrophobicContact CB-CB 4.41Å; I98-A125 HydrophobicContact CG2-CB 4.24Å; A121-A125 VanDerWaalsContact O-CB 3.24Å; A121-A125 WeakPolarHBondContact O-CB 3.4Å; A121-A125 PolarHBondContact O-N 3.46Å; G122-A125 PolarHBondContact O-N 3.1Å; A125-V128 PolarHBondContact O-N 3.17Å; A125-H129 VanDerWaalsContact O-CB 3.25Å; A125-H129 WeakPolarHBondContact O-CB 3.46Å; A125-H129 PolarHBondContact O-N 3.23Å
126T89.8Confident90.8Very high32 Ų3236.8 Ų36.820%0.19622%0.221CC..Hα-helixtrans-63.7-43.1179-55.90000111.7G122 A123 M124 V128 H129 D130 L177 N180G122-T126 WeakPolarHBondContact O-CB 3.26Å; G122-T126 PolarHBondContact O-N 3.04Å; G122-T126 PolarHBondContact O-OG1 3.31Å; A123-T126 PolarHBondContact O-N 3.33Å; M124-T126 VanDerWaalsContact C-N 3.34Å; M124-T126 PolarHBondContact O-N 3.38Å; T126-V128 PolarHBondContact O-N 2.89Å; T126-H129 PolarHBondContact O-N 3.01Å; T126-D130 VanDerWaalsContact O-CB 3.31Å; T126-D130 WeakPolarHBondContact O-CB 3.06Å; T126-D130 PolarHBondContact O-N 3.03Å; T126-L177 HydrophobicContact CG2-CD2 4.43Å; T126-N180 HydrophobicContact CG2-CB 4.4Å
127V94.4Very high91.3Very high65 Ų6529.2 Ų29.239%0.39419%0.188SC..Hα-helixtrans-55.8-49.9175.8163.90000111A123 M124 A131 Y173 L177A123-V127 WeakPolarHBondContact O-CG2 3.18Å; A123-V127 PolarHBondContact O-N 3.16Å; M124-V127 PolarHBondContact O-N 2.83Å; V127-A131 WeakPolarHBondContact O-CB 3.43Å; V127-A131 PolarHBondContact O-N 3.3Å; V127-Y173 WeakPolarHBondContact CG1-OH 3.41Å; V127-Y173 PolarHBondContact O-OH 3.05Å; V127-L177 HydrophobicContact CG2-CD2 4.13Å
128V93.7Very high91.8Very high51 Ų5129 Ų2931%0.30919%0.185SC..Hα-helixtrans-72.4-40.5-178.7178.50000112.2F94 I98 M124 A125 T126 D130 A131 I132F94-V128 HydrophobicContact CB-CG1 4.42Å; I98-V128 HydrophobicContact CD1-CB 3.42Å; I98-V128 VanDerWaalsContact CD1-CB 3.42Å; I98-V128 HydrophobicContact CD1-CG1 3.39Å; I98-V128 HydrophobicContact CD1-CG2 3.63Å; M124-V128 PolarHBondContact O-N 3.26Å; A125-V128 PolarHBondContact O-N 3.17Å; T126-V128 PolarHBondContact O-N 2.89Å; V128-D130 PolarHBondContact O-N 2.89Å; V128-A131 WeakPolarHBondContact O-CB 3.23Å; V128-A131 PolarHBondContact O-N 2.99Å; V128-I132 HydrophobicContact CG1-CD1 4.22Å; V128-I132 WeakPolarHBondContact O-CG1 3.34Å; V128-I132 PolarHBondContact O-N 2.94Å
129H92.2Very high92.4Very high29 Ų2927.5 Ų27.513%0.13418%0.18CC..Hα-helixtrans-54.5-52.1174170.5-86.1000111.6A91 H92 Y95 A125 T126 A131 I132 M133A91-H129 PolarHBondContact O-CD2 3.35Å; H92-H129 AromaticContact CE1-NE2 3.85Å; H92-H129 AromaticContact ND1-NE2 3.92Å; Y95-H129 HydrophobicContact CD2-CB 3.78Å; Y95-H129 HydrophobicContact CG-CB 4.38Å; A125-H129 VanDerWaalsContact O-CB 3.25Å; A125-H129 WeakPolarHBondContact O-CB 3.46Å; A125-H129 PolarHBondContact O-N 3.23Å; T126-H129 PolarHBondContact O-N 3.01Å; H129-A131 VanDerWaalsContact C-N 3.26Å; H129-A131 PolarHBondContact O-N 3.23Å; H129-I132 PolarHBondContact O-N 2.94Å; H129-I132 VanDerWaalsContact O-N 3.13Å; H129-M133 PolarHBondContact O-N 3.43Å
130D93.7Very high92.9Very high2 Ų225.6 Ų25.61%0.01116%0.159CC..Hα-helixtrans-65.7-32.2-178.8-74.5-15.9000111.4T126 V128 I132 M133 N134 Y173 Q176 L177 N180T126-D130 VanDerWaalsContact O-CB 3.31Å; T126-D130 WeakPolarHBondContact O-CB 3.06Å; T126-D130 PolarHBondContact O-N 3.03Å; V128-D130 PolarHBondContact O-N 2.89Å; D130-I132 VanDerWaalsContact C-N 3.26Å; D130-I132 PolarHBondContact O-N 3.34Å; D130-M133 PolarHBondContact O-N 2.89Å; D130-N134 VanDerWaalsContact O-CB 3.26Å; D130-N134 WeakPolarHBondContact O-CB 3.26Å; D130-N134 PolarHBondContact O-N 3.43Å; D130-Y173 HydrophobicContact CB-CD2 4.27Å; D130-Y173 HydrophobicContact CB-CE2 3.76Å; D130-Q176 HydrophobicContact CB-CG 4.45Å; D130-Q176 VanDerWaalsContact CG-NE2 3.27Å; D130-Q176 PolarHBondContact OD1-NE2 3.01Å; D130-L177 HydrophobicContact CB-CD2 4.24Å; D130-L177 WeakPolarHBondContact OD2-CD2 3.3Å; D130-N180 PolarHBondContact OD1-ND2 3.21Å; D130-N180 PolarHBondContact OD2-ND2 2.98Å
131A95Very high93.3Very high29 Ų2924.5 Ų24.524%0.2415%0.149CC..Hα-helixtrans-65-31.7176.500000112.3V127 V128 H129 Y170 Y173V127-A131 WeakPolarHBondContact O-CB 3.43Å; V127-A131 PolarHBondContact O-N 3.3Å; V128-A131 WeakPolarHBondContact O-CB 3.23Å; V128-A131 PolarHBondContact O-N 2.99Å; H129-A131 VanDerWaalsContact C-N 3.26Å; H129-A131 PolarHBondContact O-N 3.23Å; A131-Y170 WeakPolarHBondContact O-CE1 3.45Å; A131-Y170 PolarHBondContact O-OH 3.26Å; A131-Y170 VanDerWaalsContact O-OH 3.1Å; A131-Y173 HydrophobicContact CB-CE2 4.02Å
132I93.9Very high93.7Very high52 Ų5225.3 Ų25.327%0.26715%0.153SC..Hα-helixtrans-82-39.4175.5-61.7170.8000110.8A91 F94 V128 H129 D130 P135A91-I132 HydrophobicContact CB-CB 4.09Å; A91-I132 HydrophobicContact CB-CG2 3.84Å; F94-I132 HydrophobicContact CB-CD1 3.83Å; F94-I132 HydrophobicContact CD2-CD1 3.4Å; F94-I132 VanDerWaalsContact CD2-CD1 3.4Å; F94-I132 HydrophobicContact CE2-CD1 4.14Å; F94-I132 HydrophobicContact CG-CD1 3.73Å; V128-I132 HydrophobicContact CG1-CD1 4.22Å; V128-I132 WeakPolarHBondContact O-CG1 3.34Å; V128-I132 PolarHBondContact O-N 2.94Å; H129-I132 PolarHBondContact O-N 2.94Å; H129-I132 VanDerWaalsContact O-N 3.13Å; D130-I132 VanDerWaalsContact C-N 3.26Å; D130-I132 PolarHBondContact O-N 3.34Å; I132-P135 WeakPolarHBondContact O-CD 3.29Å
133M93.2Very high94.1Very high4 Ų424.8 Ų24.82%0.0215%0.146CC..Hα-helixtrans-77.5-26.2-178.1-79.4-61.8-7600114A88 A91 H129 D130 V136 E137A88-M133 HydrophobicContact CB-SD 4.46Å; A91-M133 HydrophobicContact CB-CG 3.43Å; A91-M133 VanDerWaalsContact CB-CG 3.43Å; A91-M133 HydrophobicContact CB-SD 3.8Å; H129-M133 PolarHBondContact O-N 3.43Å; D130-M133 PolarHBondContact O-N 2.89Å; M133-V136 HydrophobicContact CE-CG1 4.38Å; M133-V136 WeakPolarHBondContact O-CA 3.34Å; M133-V136 VanDerWaalsContact O-CB 3.32Å; M133-V136 WeakPolarHBondContact O-CB 3.06Å; M133-V136 PolarHBondContact O-N 3.18Å; M133-V136 HydrophobicContact SD-CB 4.4Å; M133-V136 HydrophobicContact SD-CG1 4.4Å; M133-E137 WeakPolarHBondContact O-CG 3.28Å; M133-E137 PolarHBondContact O-N 3.3Å
134N94.6Very high94.4Very high0 Ų022.2 Ų22.20%012%0.124CC..Hα-helixtrans-61.4-43.6-173.4-152.273.4000113.3D130 V136 E137 V138 F169 Y170 S172 Y173 Q176D130-N134 VanDerWaalsContact O-CB 3.26Å; D130-N134 WeakPolarHBondContact O-CB 3.26Å; D130-N134 PolarHBondContact O-N 3.43Å; N134-V136 VanDerWaalsContact C-N 3.28Å; N134-V136 PolarHBondContact O-N 3.32Å; N134-E137 PolarHBondContact O-N 2.84Å; N134-V138 WeakPolarHBondContact O-CG2 3.38Å; N134-V138 PolarHBondContact O-N 3.36Å; N134-F169 PolarHBondContact ND2-O 2.66Å; N134-Y170 HydrophobicContact CB-CD1 4.48Å; N134-Y170 WeakPolarHBondContact ND2-CA 3.06Å; N134-S172 VanDerWaalsContact CG-OG 3.3Å; N134-S172 PolarHBondContact ND2-OG 2.74Å; N134-S172 PolarHBondContact OD1-OG 2.93Å; N134-Y173 HydrophobicContact CB-CD2 4.36Å; N134-Q176 PolarHBondContact OD1-OE1 3.4Å; N134-Q176 VanDerWaalsContact OD1-OE1 3.1Å
135P96.3Very high94.6Very high31 Ų3117.6 Ų17.620%0.20110%0.102CC..Hα-helixtrans-59.6-38173.1-23.933.3000113.4I132 V138 V139 F169 Y170I132-P135 WeakPolarHBondContact O-CD 3.29Å; P135-V138 PolarHBondContact O-N 2.87Å; P135-V139 WeakPolarHBondContact O-CG2 3.39Å; P135-V139 PolarHBondContact O-N 3.44Å; P135-V139 VanDerWaalsContact O-N 3.15Å; P135-F169 HydrophobicContact CB-CB 4.07Å; P135-F169 HydrophobicContact CB-CD1 3.89Å; P135-F169 HydrophobicContact CB-CG 4.26Å; P135-F169 HydrophobicContact CG-CB 4.13Å; P135-Y170 HydrophobicContact CG-CE1 4.35Å; P135-Y170 HydrophobicContact CG-CE2 4.16Å
136V95.5Very high94.7Very high15 Ų1521 Ų219%0.09112%0.115CC..Hα-helixtrans-64.8-46177.5173.50000110.1V83 V84 M133 N134 V138 V139 K140V83-V136 HydrophobicContact CG1-CG1 4.11Å; V83-V136 HydrophobicContact CG2-CG1 4.25Å; V83-V136 HydrophobicContact CG2-CG2 4.49Å; V83-V136 VanDerWaalsContact O-CG1 3.31Å; V83-V136 WeakPolarHBondContact O-CG1 3.44Å; V84-V136 HydrophobicContact CG2-CG1 4.23Å; M133-V136 HydrophobicContact CE-CG1 4.38Å; M133-V136 WeakPolarHBondContact O-CA 3.34Å; M133-V136 VanDerWaalsContact O-CB 3.32Å; M133-V136 WeakPolarHBondContact O-CB 3.06Å; M133-V136 PolarHBondContact O-N 3.18Å; M133-V136 HydrophobicContact SD-CB 4.4Å; M133-V136 HydrophobicContact SD-CG1 4.4Å; N134-V136 VanDerWaalsContact C-N 3.28Å; N134-V136 PolarHBondContact O-N 3.32Å; V136-V138 PolarHBondContact O-N 2.74Å; V136-V139 PolarHBondContact O-N 3.35Å; V136-K140 WeakPolarHBondContact O-CB 3.38Å; V136-K140 PolarHBondContact O-N 3.34Å
137E94.9Very high94.8Very high12 Ų1222.9 Ų22.96%0.05613%0.134CC..Hα-helixtrans-62.1-40.4177.1-72.8-63.5119.200112.3M133 N134 K140 Q141 K231M133-E137 WeakPolarHBondContact O-CG 3.28Å; M133-E137 PolarHBondContact O-N 3.3Å; N134-E137 PolarHBondContact O-N 2.84Å; E137-K140 PolarHBondContact O-N 2.91Å; E137-K140 WeakPolarHBondContact OE1-CE 3.22Å; E137-K140 IonicContact OE1-NZ 2.98Å; E137-K140 PolarHBondContact OE1-NZ 2.97Å; E137-K140 VanDerWaalsContact OE2-CE 3.24Å; E137-K140 WeakPolarHBondContact OE2-CE 3.21Å; E137-K140 IonicContact OE2-NZ 3.82Å; E137-K140 PolarHBondContact OE2-NZ 2.97Å; E137-Q141 WeakPolarHBondContact O-CB 3.34Å; E137-Q141 VanDerWaalsContact O-CG 3.3Å; E137-Q141 WeakPolarHBondContact O-CG 3.42Å; E137-Q141 PolarHBondContact O-N 2.86Å; E137-K231 IonicContact OE2-NZ 3.84Å
138V96.5Very high94.7Very high0 Ų020.2 Ų20.20%012%0.118CC..Hα-helixtrans-60.7-49.3176.5169.60000110.9N134 P135 V136 R142 F169 N235N134-V138 WeakPolarHBondContact O-CG2 3.38Å; N134-V138 PolarHBondContact O-N 3.36Å; P135-V138 PolarHBondContact O-N 2.87Å; V136-V138 PolarHBondContact O-N 2.74Å; V138-R142 WeakPolarHBondContact O-CB 3.17Å; V138-R142 WeakPolarHBondContact O-CG 3.33Å; V138-R142 PolarHBondContact O-N 3.22Å; V138-R142 VanDerWaalsContact O-N 3.16Å; V138-F169 HydrophobicContact CB-CD1 4.27Å; V138-F169 HydrophobicContact CG1-CD1 4.14Å; V138-N235 HydrophobicContact CG2-CB 4.34Å; V138-N235 WeakPolarHBondContact CG2-OD1 3.27Å
139V97Very high94.6Very high6 Ų622.7 Ų22.74%0.03614%0.136CC..Hα-helixtrans-66.4-46.4178.6177.50000110.5V83 P135 V136 Q141 R142 M143 S153 C156 A157 F169V83-V139 HydrophobicContact CB-CG1 4.32Å; V83-V139 HydrophobicContact CG1-CB 4.27Å; V83-V139 HydrophobicContact CG1-CG1 4.12Å; V83-V139 HydrophobicContact CG2-CB 4.18Å; V83-V139 HydrophobicContact CG2-CG1 4.12Å; P135-V139 WeakPolarHBondContact O-CG2 3.39Å; P135-V139 PolarHBondContact O-N 3.44Å; P135-V139 VanDerWaalsContact O-N 3.15Å; V136-V139 PolarHBondContact O-N 3.35Å; V139-Q141 PolarHBondContact O-N 3.04Å; V139-R142 PolarHBondContact O-N 3.17Å; V139-M143 HydrophobicContact CG1-CG 4.29Å; V139-M143 VanDerWaalsContact O-CG 3.23Å; V139-M143 WeakPolarHBondContact O-CG 3.48Å; V139-M143 PolarHBondContact O-N 2.93Å; V139-S153 WeakPolarHBondContact CG1-O 3.45Å; V139-C156 HydrophobicContact CG1-CB 4.17Å; V139-A157 HydrophobicContact CG2-CB 3.96Å; V139-F169 HydrophobicContact CG2-CE1 3.93Å
140K96.1Very high94.7Very high6 Ų622.6 Ų22.63%0.02614%0.135CC..Hα-helixtrans-50.9-55.9177.1-178.2-172.983.4-176.10110.7F38 D41 V83 V84 V136 E137 R142 M143 Q144F38-K140 HydrophobicContact CE2-CD 3.85Å; F38-K140 HydrophobicContact CE2-CG 3.78Å; F38-K140 HydrophobicContact CZ-CG 4.03Å; D41-K140 IonicContact OD2-NZ 2.74Å; V83-K140 HydrophobicContact CG1-CB 4.06Å; V84-K140 HydrophobicContact CG2-CB 4.12Å; V84-K140 HydrophobicContact CG2-CD 3.36Å; V84-K140 HydrophobicContact CG2-CG 3.75Å; V136-K140 WeakPolarHBondContact O-CB 3.38Å; V136-K140 PolarHBondContact O-N 3.34Å; E137-K140 PolarHBondContact O-N 2.91Å; E137-K140 WeakPolarHBondContact OE1-CE 3.22Å; E137-K140 IonicContact OE1-NZ 2.98Å; E137-K140 PolarHBondContact OE1-NZ 2.97Å; E137-K140 VanDerWaalsContact OE2-CE 3.24Å; E137-K140 WeakPolarHBondContact OE2-CE 3.21Å; E137-K140 IonicContact OE2-NZ 3.82Å; E137-K140 PolarHBondContact OE2-NZ 2.97Å; K140-R142 PolarHBondContact O-N 3.43Å; K140-M143 WeakPolarHBondContact O-CB 3.44Å; K140-M143 PolarHBondContact O-N 3.49Å; K140-M143 VanDerWaalsContact O-N 3.11Å; K140-Q144 VanDerWaalsContact O-CG 3.31Å; K140-Q144 WeakPolarHBondContact O-CG 3.34Å; K140-Q144 PolarHBondContact O-N 2.77Å; K140-Q144 VanDerWaalsContact O-N 3.08Å
141Q96.5Very high94.7Very high3 Ų331.8 Ų31.81%0.01417%0.169CC..Hα-helixtrans-68.1-36.4-173.5-68.3-175.2-6.600112.2T45 E137 V139 M143 Q144 V145 N235 T236T45-Q141 HydrophobicContact CG2-CB 3.93Å; T45-Q141 HydrophobicContact CG2-CG 4.04Å; E137-Q141 WeakPolarHBondContact O-CB 3.34Å; E137-Q141 VanDerWaalsContact O-CG 3.3Å; E137-Q141 WeakPolarHBondContact O-CG 3.42Å; E137-Q141 PolarHBondContact O-N 2.86Å; V139-Q141 PolarHBondContact O-N 3.04Å; Q141-M143 VanDerWaalsContact C-N 3.28Å; Q141-M143 PolarHBondContact O-N 3.23Å; Q141-Q144 PolarHBondContact O-N 3.29Å; Q141-V145 WeakPolarHBondContact O-CG1 3.34Å; Q141-V145 PolarHBondContact O-N 2.85Å; Q141-N235 HydrophobicContact CB-CB 4.31Å; Q141-N235 PolarHBondContact OE1-ND2 2.91Å; Q141-T236 HydrophobicContact CB-CG2 3.87Å
142R96.2Very high94.7Very high18 Ų1833.3 Ų33.37%0.06817%0.173CC..Hα-helixtrans-67.5-25.3173.4-72.8179.2-179.1-133.214113.8V138 V139 K140 V145 S148 F150 E164 N235V138-R142 WeakPolarHBondContact O-CB 3.17Å; V138-R142 WeakPolarHBondContact O-CG 3.33Å; V138-R142 PolarHBondContact O-N 3.22Å; V138-R142 VanDerWaalsContact O-N 3.16Å; V139-R142 PolarHBondContact O-N 3.17Å; K140-R142 PolarHBondContact O-N 3.43Å; R142-V145 WeakPolarHBondContact O-CG2 3.12Å; R142-S148 WeakPolarHBondContact O-CB 3.28Å; R142-S148 PolarHBondContact O-OG 3.42Å; R142-F150 HydrophobicContact CB-CD2 4.5Å; R142-F150 HydrophobicContact CB-CE2 4.23Å; R142-E164 IonicContact CZ-OE1 3.96Å; R142-E164 VanDerWaalsContact CZ-OE1 3.23Å; R142-E164 IonicContact CZ-OE2 2.77Å; R142-E164 IonicContact NH1-OE1 3.99Å; R142-E164 PolarHBondContact NH1-OE1 2.88Å; R142-E164 VanDerWaalsContact NH2-CD 3.25Å; R142-E164 IonicContact NH2-OE1 2.78Å; R142-E164 PolarHBondContact NH2-OE1 3.1Å; R142-E164 IonicContact NH2-OE2 3.65Å; R142-E164 PolarHBondContact NH2-OE2 3.04Å; R142-N235 WeakPolarHBondContact CG-O 3.35Å; R142-N235 PolarHBondContact NE-O 2.71Å
143M95.9Very high94.7Very high2 Ų231.2 Ų31.21%0.0116%0.163CC..Hα-helixtrans-77.8-30.6172.4-67.2-61.2-62.300112.1R79 V139 K140 Q141 F150 N152 C156R79-M143 HydrophobicContact CG-CE 3.56Å; R79-M143 VanDerWaalsContact NE-CE 3.3Å; V139-M143 HydrophobicContact CG1-CG 4.29Å; V139-M143 VanDerWaalsContact O-CG 3.23Å; V139-M143 WeakPolarHBondContact O-CG 3.48Å; V139-M143 PolarHBondContact O-N 2.93Å; K140-M143 WeakPolarHBondContact O-CB 3.44Å; K140-M143 PolarHBondContact O-N 3.49Å; K140-M143 VanDerWaalsContact O-N 3.11Å; Q141-M143 VanDerWaalsContact C-N 3.28Å; Q141-M143 PolarHBondContact O-N 3.23Å; M143-F150 WeakPolarHBondContact CE-O 3.44Å; M143-F150 HydrophobicContact SD-CB 3.68Å; M143-N152 VanDerWaalsContact CE-C 3.5Å; M143-C156 HydrophobicContact CG-CB 4.35Å; M143-C156 HydrophobicContact SD-CB 3.65Å
144Q95.9Very high94.9Very high4 Ų435.7 Ų35.72%0.01919%0.187CC..Hα-helixtrans-81.2-23.6-176-71.7175.5-44.300114.2F38 S42 T45 R46 K140 Q141F38-Q144 HydrophobicContact CE1-CG 4.36Å; F38-Q144 HydrophobicContact CZ-CG 4.2Å; S42-Q144 WeakPolarHBondContact OG-CG 3.45Å; S42-Q144 PolarHBondContact OG-NE2 2.7Å; T45-Q144 HydrophobicContact CG2-CB 3.98Å; T45-Q144 PolarHBondContact OG1-OE1 3.42Å; R46-Q144 VanDerWaalsContact CG-O 3.27Å; R46-Q144 WeakPolarHBondContact CG-O 3.19Å; R46-Q144 PolarHBondContact NE-O 2.88Å; K140-Q144 VanDerWaalsContact O-CG 3.31Å; K140-Q144 WeakPolarHBondContact O-CG 3.34Å; K140-Q144 PolarHBondContact O-N 2.77Å; K140-Q144 VanDerWaalsContact O-N 3.08Å; Q141-Q144 PolarHBondContact O-N 3.29Å
145V94.8Very high95Very high9 Ų939.4 Ų39.46%0.05520%0.204CC..SBendtrans-58.5151.8-178.5-66.40000113.6R76 Q141 R142 A147 S148 T236 Q238R76-V145 PolarHBondContact NH2-O 3.11Å; Q141-V145 WeakPolarHBondContact O-CG1 3.34Å; Q141-V145 PolarHBondContact O-N 2.85Å; R142-V145 WeakPolarHBondContact O-CG2 3.12Å; V145-A147 PolarHBondContact O-N 2.96Å; V145-S148 PolarHBondContact O-N 3.28Å; V145-T236 HydrophobicContact CG1-CG2 3.56Å; V145-Q238 VanDerWaalsContact CB-NE2 3.25Å; V145-Q238 HydrophobicContact CG1-CG 4.25Å
146W92.9Very high95Very high70 Ų7037.9 Ų37.927%0.26519%0.194SC..THydrogen-bonded Turntrans-56.4136172.2-179.4-96.2000110.2C53 P54 E72 S148C53-W146 HydrophobicContact CB-CB 3.64Å; C53-W146 HydrophobicContact CB-CD2 4.39Å; C53-W146 HydrophobicContact CB-CG 3.96Å; P54-W146 HydrophobicContact CG-CE3 4.24Å; P54-W146 HydrophobicContact CG-CH2 3.86Å; P54-W146 HydrophobicContact CG-CZ2 4.09Å; P54-W146 HydrophobicContact CG-CZ3 3.9Å; E72-W146 HydrophobicContact CG-CH2 4.48Å; E72-W146 HydrophobicContact CG-CZ3 4.41Å; E72-W146 WeakPolarHBondContact OE1-CZ3 3.48Å; W146-S148 PolarHBondContact O-N 3.05Å; W146-S148 VanDerWaalsContact O-N 3.15Å
147A91.4Very high95.1Very high72 Ų7238.5 Ų38.560%0.59520%0.201SC*.THydrogen-bonded Turntrans51.234.1-178.600000115.3V145V145-A147 PolarHBondContact O-N 2.96Å
148S92.7Very high95.2Very high10 Ų1045.3 Ų45.37%0.0723%0.226CC..  trans-51.1126.8175.2-178.90000112.3R142 V145 W146 F150R142-S148 WeakPolarHBondContact O-CB 3.28Å; R142-S148 PolarHBondContact O-OG 3.42Å; V145-S148 PolarHBondContact O-N 3.28Å; W146-S148 PolarHBondContact O-N 3.05Å; W146-S148 VanDerWaalsContact O-N 3.15Å; S148-F150 VanDerWaalsContact C-N 3.28Å; S148-F150 PolarHBondContact O-N 3.43Å
149P92.4Very high95.2Very high103 Ų10346.7 Ų46.767%0.66924%0.236SC*.  trans-75.4-14.7-176.231.3-36.4000113.4
150F94.4Very high95.1Very high26 Ų2646.5 Ų46.511%0.11423%0.234CC..  trans-89.9120.3-169.6-53.4-64.5000112.6R79 R142 M143 S148 N152 C156 C159R79-F150 VanDerWaalsContact CZ-O 3.3Å; R79-F150 PolarHBondContact NE-O 3.5Å; R79-F150 PolarHBondContact NH2-O 3.43Å; R142-F150 HydrophobicContact CB-CD2 4.5Å; R142-F150 HydrophobicContact CB-CE2 4.23Å; M143-F150 WeakPolarHBondContact CE-O 3.44Å; M143-F150 HydrophobicContact SD-CB 3.68Å; S148-F150 VanDerWaalsContact C-N 3.28Å; S148-F150 PolarHBondContact O-N 3.43Å; F150-N152 VanDerWaalsContact C-N 3.33Å; F150-N152 PolarHBondContact O-N 2.88Å; F150-C156 HydrophobicContact CB-CB 3.75Å; F150-C156 HydrophobicContact CD1-CB 4.13Å; F150-C156 HydrophobicContact CD2-CB 3.82Å; F150-C156 VanDerWaalsContact CD2-SG 3.54Å; F150-C156 HydrophobicContact CE2-CB 4.45Å; F150-C156 HydrophobicContact CG-CB 3.63Å; F150-C159 HydrophobicContact CD1-CB 4.23Å; F150-C159 HydrophobicContact CE1-CB 3.59Å; F150-C159 HydrophobicContact CZ-CB 4.46Å
151R92.1Very high95.1Very high196 Ų19651.5 Ų51.574%0.7426%0.256SS*.SBendtrans-64.3-37.4-176.7-164.3170.677.1-142.36.6112.7E155R151-E155 WeakPolarHBondContact CA-OE2 3.25Å; R151-E155 WeakPolarHBondContact CB-OE2 3.31Å; R151-E155 PolarHBondContact N-OE2 3.36Å
152N94.6Very high95.1Very high61 Ų6157.5 Ų57.533%0.32629%0.288SS..SBendtrans-144.7167.1179.16265.8000112.2M143 F150 L154 E155 C156M143-N152 VanDerWaalsContact CE-C 3.5Å; F150-N152 VanDerWaalsContact C-N 3.33Å; F150-N152 PolarHBondContact O-N 2.88Å; N152-L154 VanDerWaalsContact C-N 3.28Å; N152-L154 PolarHBondContact O-N 3.38Å; N152-L154 WeakPolarHBondContact OD1-CB 3.38Å; N152-L154 PolarHBondContact OD1-N 2.85Å; N152-L154 VanDerWaalsContact OD1-N 3.15Å; N152-E155 PolarHBondContact O-N 3.28Å; N152-E155 WeakPolarHBondContact OD1-CB 3.41Å; N152-E155 PolarHBondContact OD1-N 3.44Å; N152-C156 PolarHBondContact O-N 3Å
153S95.6Very high95Very high7 Ų766.6 Ų66.65%0.04932%0.323CS..Hα-helixtrans-63.4-30.8-175.9-48.40000113.3N82 V139 C156 A157N82-S153 PolarHBondContact OD1-OG 3.45Å; V139-S153 WeakPolarHBondContact CG1-O 3.45Å; S153-C156 PolarHBondContact O-N 3.28Å; S153-A157 WeakPolarHBondContact O-CB 3.49Å; S153-A157 PolarHBondContact O-N 3Å
154L96.1Very high94.8Very high99 Ų9969.4 Ų69.452%0.51834%0.336SS..Hα-helixtrans-71.5-42.8178.3-173.173.7000111.4N152 C156 A157 R158N152-L154 VanDerWaalsContact C-N 3.28Å; N152-L154 PolarHBondContact O-N 3.38Å; N152-L154 WeakPolarHBondContact OD1-CB 3.38Å; N152-L154 PolarHBondContact OD1-N 2.85Å; N152-L154 VanDerWaalsContact OD1-N 3.15Å; L154-C156 VanDerWaalsContact C-N 3.33Å; L154-A157 PolarHBondContact O-N 3.49Å; L154-R158 WeakPolarHBondContact O-CB 3.39Å; L154-R158 WeakPolarHBondContact O-CG 3.5Å; L154-R158 PolarHBondContact O-N 3.11Å
155E96.7Very high94.7Very high77 Ų7770.6 Ų70.636%0.3635%0.349SS..Hα-helixtrans-61.3-43.9173.2-176.8-175.7-175.300110.9R151 N152 R158 C159R151-E155 WeakPolarHBondContact CA-OE2 3.25Å; R151-E155 WeakPolarHBondContact CB-OE2 3.31Å; R151-E155 PolarHBondContact N-OE2 3.36Å; N152-E155 PolarHBondContact O-N 3.28Å; N152-E155 WeakPolarHBondContact OD1-CB 3.41Å; N152-E155 PolarHBondContact OD1-N 3.44Å; E155-R158 PolarHBondContact O-N 2.89Å; E155-C159 VanDerWaalsContact O-CB 3.27Å; E155-C159 WeakPolarHBondContact O-CB 3.32Å; E155-C159 PolarHBondContact O-N 3.41Å
156C96.8Very high94.7Very high0 Ų075.2 Ų75.20%037%0.372CS..Hα-helixtrans-56.3-54.4172.7-177.80000110.9V139 M143 F150 N152 S153 L154 R158 C159 V160V139-C156 HydrophobicContact CG1-CB 4.17Å; M143-C156 HydrophobicContact CG-CB 4.35Å; M143-C156 HydrophobicContact SD-CB 3.65Å; F150-C156 HydrophobicContact CB-CB 3.75Å; F150-C156 HydrophobicContact CD1-CB 4.13Å; F150-C156 HydrophobicContact CD2-CB 3.82Å; F150-C156 VanDerWaalsContact CD2-SG 3.54Å; F150-C156 HydrophobicContact CE2-CB 4.45Å; F150-C156 HydrophobicContact CG-CB 3.63Å; N152-C156 PolarHBondContact O-N 3Å; S153-C156 PolarHBondContact O-N 3.28Å; L154-C156 VanDerWaalsContact C-N 3.33Å; C156-R158 PolarHBondContact O-N 2.89Å; C156-C159 PolarHBondContact O-N 3.49Å; C156-V160 VanDerWaalsContact O-CG2 3.25Å; C156-V160 WeakPolarHBondContact O-CG2 3.22Å; C156-V160 PolarHBondContact O-N 2.96Å
157A97.1Very high94.8Very high28 Ų2876.4 Ų76.423%0.23139%0.39CS..Hα-helixtrans-57.8-45.6-179.300000112.4V139 S153 L154 V160 F161V139-A157 HydrophobicContact CG2-CB 3.96Å; S153-A157 WeakPolarHBondContact O-CB 3.49Å; S153-A157 PolarHBondContact O-N 3Å; L154-A157 PolarHBondContact O-N 3.49Å; A157-V160 PolarHBondContact O-N 2.72Å; A157-F161 WeakPolarHBondContact O-CB 3.48Å; A157-F161 PolarHBondContact O-N 3.45Å
158R97.3Very high94.9Very high155 Ų15573 Ų7359%0.58536%0.362SS*.Hα-helixtrans-62.8-43.4177.1-73.6175.8-177.9176.9-0.6112.2L154 E155 C156 F161 N162L154-R158 WeakPolarHBondContact O-CB 3.39Å; L154-R158 WeakPolarHBondContact O-CG 3.5Å; L154-R158 PolarHBondContact O-N 3.11Å; E155-R158 PolarHBondContact O-N 2.89Å; C156-R158 PolarHBondContact O-N 2.89Å; R158-F161 PolarHBondContact O-N 3.27Å; R158-N162 WeakPolarHBondContact O-CB 3.29Å; R158-N162 PolarHBondContact O-N 3.49Å; R158-N162 PolarHBondContact O-ND2 3.46Å
159C96.3Very high95Very high29 Ų2973.5 Ų73.520%0.19636%0.363CS..Hα-helixtrans-65.9-43.6-180-170.40000111.5F150 E155 C156 N162 R163F150-C159 HydrophobicContact CD1-CB 4.23Å; F150-C159 HydrophobicContact CE1-CB 3.59Å; F150-C159 HydrophobicContact CZ-CB 4.46Å; E155-C159 VanDerWaalsContact O-CB 3.27Å; E155-C159 WeakPolarHBondContact O-CB 3.32Å; E155-C159 PolarHBondContact O-N 3.41Å; C156-C159 PolarHBondContact O-N 3.49Å; C159-N162 PolarHBondContact O-N 2.87Å; C159-R163 VanDerWaalsContact O-CB 3.3Å; C159-R163 WeakPolarHBondContact O-CB 3.27Å; C159-R163 WeakPolarHBondContact O-CG 2.91Å; C159-R163 PolarHBondContact O-N 3.13Å
160V95.1Very high95.2Very high1 Ų173.4 Ų73.41%0.00635%0.35CS..Hα-helixtrans-59.7-49.2174.7175.80000110.6C156 A157 N162 R163 E164 G165 A168 F169C156-V160 VanDerWaalsContact O-CG2 3.25Å; C156-V160 WeakPolarHBondContact O-CG2 3.22Å; C156-V160 PolarHBondContact O-N 2.96Å; A157-V160 PolarHBondContact O-N 2.72Å; V160-N162 PolarHBondContact O-N 2.87Å; V160-R163 PolarHBondContact O-N 3.35Å; V160-E164 WeakPolarHBondContact O-CA 3.3Å; V160-E164 WeakPolarHBondContact O-CB 3.41Å; V160-E164 PolarHBondContact O-N 3.41Å; V160-G165 PolarHBondContact O-N 3.4Å; V160-A168 HydrophobicContact CG1-CB 3.76Å; V160-F169 HydrophobicContact CB-CE1 4.33Å; V160-F169 HydrophobicContact CB-CE2 4.4Å; V160-F169 HydrophobicContact CB-CZ 3.84Å; V160-F169 HydrophobicContact CG1-CD2 4.42Å; V160-F169 HydrophobicContact CG1-CE1 4Å; V160-F169 HydrophobicContact CG1-CE2 3.86Å; V160-F169 HydrophobicContact CG1-CZ 3.64Å
161F96.6Very high95.2Very high111 Ų11173.5 Ų73.549%0.48735%0.35SS..Hα-helixtrans-59.8-46.9179.3-176.3-95.8000112.1A157 R158 G165 I166 F169A157-F161 WeakPolarHBondContact O-CB 3.48Å; A157-F161 PolarHBondContact O-N 3.45Å; R158-F161 PolarHBondContact O-N 3.27Å; F161-G165 WeakPolarHBondContact O-CA 3.41Å; F161-G165 PolarHBondContact O-N 3.03Å; F161-I166 HydrophobicContact CE2-CB 4.21Å; F161-F169 HydrophobicContact CB-CE2 4.03Å; F161-F169 HydrophobicContact CB-CZ 4.37Å; F161-F169 HydrophobicContact CD2-CE2 4.27Å
162N96.4Very high95.3Very high129 Ų12964.2 Ų64.269%0.6931%0.314SS*.Hα-helixtrans-72.1-34.1-176.9-70.2-16.4000113.4R158 C159 V160R158-N162 WeakPolarHBondContact O-CB 3.29Å; R158-N162 PolarHBondContact O-N 3.49Å; R158-N162 PolarHBondContact O-ND2 3.46Å; C159-N162 PolarHBondContact O-N 2.87Å; V160-N162 PolarHBondContact O-N 2.87Å
163R93.2Very high95.3Very high210 Ų21063.8 Ų63.879%0.79231%0.309SS*.Hα-helixtrans-92.6-34.2-175.6-68.1-170.8174.6-165.6-2.1113.8C159 V160C159-R163 VanDerWaalsContact O-CB 3.3Å; C159-R163 WeakPolarHBondContact O-CB 3.27Å; C159-R163 WeakPolarHBondContact O-CG 2.91Å; C159-R163 PolarHBondContact O-N 3.13Å; V160-R163 PolarHBondContact O-N 3.35Å
164E93Very high95.2Very high61 Ų6166.8 Ų66.829%0.28533%0.33SS..Hα-helixtrans-120.2-10.8-170.9-60.8179.1-128.500113.3R142 V160 A168 R171R142-E164 IonicContact CZ-OE1 3.96Å; R142-E164 VanDerWaalsContact CZ-OE1 3.23Å; R142-E164 IonicContact CZ-OE2 2.77Å; R142-E164 IonicContact NH1-OE1 3.99Å; R142-E164 PolarHBondContact NH1-OE1 2.88Å; R142-E164 VanDerWaalsContact NH2-CD 3.25Å; R142-E164 IonicContact NH2-OE1 2.78Å; R142-E164 PolarHBondContact NH2-OE1 3.1Å; R142-E164 IonicContact NH2-OE2 3.65Å; R142-E164 PolarHBondContact NH2-OE2 3.04Å; V160-E164 WeakPolarHBondContact O-CA 3.3Å; V160-E164 WeakPolarHBondContact O-CB 3.41Å; V160-E164 PolarHBondContact O-N 3.41Å; E164-A168 HydrophobicContact CB-CB 3.55Å; E164-R171 IonicContact OE2-CZ 2.67Å; E164-R171 VanDerWaalsContact OE2-CZ 3.32Å; E164-R171 IonicContact OE2-NH1 2.89Å; E164-R171 PolarHBondContact OE2-NH1 3.31Å; E164-R171 IonicContact OE2-NH2 3.23Å; E164-R171 PolarHBondContact OE2-NH2 3.36Å; E164-R171 VanDerWaalsContact OE2-NH2 3.14Å
165G93.7Very high95.1Very high28 Ų2862.1 Ų62.129%0.28931%0.305SS..  trans78.6177.918000000114.1V160 F161 C167 A168V160-G165 PolarHBondContact O-N 3.4Å; F161-G165 WeakPolarHBondContact O-CA 3.41Å; F161-G165 PolarHBondContact O-N 3.03Å; G165-C167 VanDerWaalsContact C-N 3.28Å; G165-C167 PolarHBondContact O-N 2.85Å; G165-A168 VanDerWaalsContact O-CB 3.29Å; G165-A168 WeakPolarHBondContact O-CB 3.37Å; G165-A168 PolarHBondContact O-N 3.37Å
166I94.5Very high94.9Very high107 Ų10758.8 Ų58.855%0.54929%0.29SS..G310 helixtrans-64.8-31.5-177.4-164.6163.3000113F161 A168 F169F161-I166 HydrophobicContact CE2-CB 4.21Å; I166-A168 PolarHBondContact O-N 2.78Å; I166-A168 VanDerWaalsContact O-N 3.15Å; I166-F169 PolarHBondContact O-N 2.77Å; I166-F169 VanDerWaalsContact O-N 3.07Å
167C93.7Very high94.8Very high95 Ų9560.8 Ų60.864%0.64230%0.3SS*.G310 helixtrans-61-25.7179-60.50000112.5G165 F169 Y170 R171G165-C167 VanDerWaalsContact C-N 3.28Å; G165-C167 PolarHBondContact O-N 2.85Å; C167-F169 PolarHBondContact O-N 2.94Å; C167-Y170 PolarHBondContact O-N 3.3Å; C167-R171 WeakPolarHBondContact O-CG 3.48Å; C167-R171 PolarHBondContact O-N 3.26Å
168A93.8Very high94.6Very high1 Ų163.7 Ų63.71%0.00831%0.311CS..G310 helixtrans-59.2-32.9176.500000112.5V160 E164 G165 I166 Y170V160-A168 HydrophobicContact CG1-CB 3.76Å; E164-A168 HydrophobicContact CB-CB 3.55Å; G165-A168 VanDerWaalsContact O-CB 3.29Å; G165-A168 WeakPolarHBondContact O-CB 3.37Å; G165-A168 PolarHBondContact O-N 3.37Å; I166-A168 PolarHBondContact O-N 2.78Å; I166-A168 VanDerWaalsContact O-N 3.15Å; A168-Y170 PolarHBondContact O-N 3.26Å
169F95.9Very high94.4Very high20 Ų2056.8 Ų56.89%0.08829%0.286CS..G310 helixtrans-74.3-6.8178.8-64.5-81.1000113.9N134 P135 V138 V139 V160 F161 I166 C167N134-F169 PolarHBondContact ND2-O 2.66Å; P135-F169 HydrophobicContact CB-CB 4.07Å; P135-F169 HydrophobicContact CB-CD1 3.89Å; P135-F169 HydrophobicContact CB-CG 4.26Å; P135-F169 HydrophobicContact CG-CB 4.13Å; V138-F169 HydrophobicContact CB-CD1 4.27Å; V138-F169 HydrophobicContact CG1-CD1 4.14Å; V139-F169 HydrophobicContact CG2-CE1 3.93Å; V160-F169 HydrophobicContact CB-CE1 4.33Å; V160-F169 HydrophobicContact CB-CE2 4.4Å; V160-F169 HydrophobicContact CB-CZ 3.84Å; V160-F169 HydrophobicContact CG1-CD2 4.42Å; V160-F169 HydrophobicContact CG1-CE1 4Å; V160-F169 HydrophobicContact CG1-CE2 3.86Å; V160-F169 HydrophobicContact CG1-CZ 3.64Å; F161-F169 HydrophobicContact CB-CE2 4.03Å; F161-F169 HydrophobicContact CB-CZ 4.37Å; F161-F169 HydrophobicContact CD2-CE2 4.27Å; I166-F169 PolarHBondContact O-N 2.77Å; I166-F169 VanDerWaalsContact O-N 3.07Å; C167-F169 PolarHBondContact O-N 2.94Å
170Y96Very high94Very high101 Ų10157.2 Ų57.240%0.39629%0.286SS..G310 helixtrans-127.26-175.3-68.4-82.7000114A131 N134 P135 C167 A168 S172 Y173A131-Y170 WeakPolarHBondContact O-CE1 3.45Å; A131-Y170 PolarHBondContact O-OH 3.26Å; A131-Y170 VanDerWaalsContact O-OH 3.1Å; N134-Y170 HydrophobicContact CB-CD1 4.48Å; N134-Y170 WeakPolarHBondContact ND2-CA 3.06Å; P135-Y170 HydrophobicContact CG-CE1 4.35Å; P135-Y170 HydrophobicContact CG-CE2 4.16Å; C167-Y170 PolarHBondContact O-N 3.3Å; A168-Y170 PolarHBondContact O-N 3.26Å; Y170-S172 VanDerWaalsContact C-N 3.27Å; Y170-S172 PolarHBondContact O-N 2.9Å; Y170-Y173 HydrophobicContact CD1-CG 4.39Å; Y170-Y173 VanDerWaalsContact O-CB 3.22Å; Y170-Y173 WeakPolarHBondContact O-CB 3.27Å; Y170-Y173 PolarHBondContact O-N 3.06Å
171R93.9Very high93.6Very high28 Ų2861.9 Ų61.911%0.10632%0.315CS..THydrogen-bonded Turntrans-59.3-35.7-179.8-67.3-176.1-176.1146.67.9113.7E164 C167 M245E164-R171 IonicContact OE2-CZ 2.67Å; E164-R171 VanDerWaalsContact OE2-CZ 3.32Å; E164-R171 IonicContact OE2-NH1 2.89Å; E164-R171 PolarHBondContact OE2-NH1 3.31Å; E164-R171 IonicContact OE2-NH2 3.23Å; E164-R171 PolarHBondContact OE2-NH2 3.36Å; E164-R171 VanDerWaalsContact OE2-NH2 3.14Å; C167-R171 WeakPolarHBondContact O-CG 3.48Å; C167-R171 PolarHBondContact O-N 3.26Å; R171-M245 WeakPolarHBondContact CD-O 3.24Å
172S94.4Very high93.4Very high0 Ų058.6 Ų58.60%030%0.304CS..THydrogen-bonded Turntrans-87-7.4178.462.10000113.7N134 Y170 S174 T175 Q176 N235N134-S172 VanDerWaalsContact CG-OG 3.3Å; N134-S172 PolarHBondContact ND2-OG 2.74Å; N134-S172 PolarHBondContact OD1-OG 2.93Å; Y170-S172 VanDerWaalsContact C-N 3.27Å; Y170-S172 PolarHBondContact O-N 2.9Å; S172-S174 PolarHBondContact O-N 3.25Å; S172-T175 CarbonylContact O-C 3.58Å; S172-T175 WeakPolarHBondContact O-CA 3.29Å; S172-T175 WeakPolarHBondContact O-CB 3.2Å; S172-T175 PolarHBondContact O-N 3.43Å; S172-Q176 PolarHBondContact O-N 3.22Å; S172-N235 WeakPolarHBondContact CB-OD1 3.39Å; S172-N235 PolarHBondContact OG-OD1 3.5Å
173Y94.7Very high93.1Very high53 Ų5353.9 Ų53.921%0.20828%0.278CS..Hα-helixtrans-57.8-46.4-167.1177.4-110.1000112.5V127 D130 A131 N134 Y170 T175 Q176 L177V127-Y173 WeakPolarHBondContact CG1-OH 3.41Å; V127-Y173 PolarHBondContact O-OH 3.05Å; D130-Y173 HydrophobicContact CB-CD2 4.27Å; D130-Y173 HydrophobicContact CB-CE2 3.76Å; A131-Y173 HydrophobicContact CB-CE2 4.02Å; N134-Y173 HydrophobicContact CB-CD2 4.36Å; Y170-Y173 HydrophobicContact CD1-CG 4.39Å; Y170-Y173 VanDerWaalsContact O-CB 3.22Å; Y170-Y173 WeakPolarHBondContact O-CB 3.27Å; Y170-Y173 PolarHBondContact O-N 3.06Å; Y173-T175 VanDerWaalsContact C-N 3.31Å; Y173-T175 PolarHBondContact O-N 3.06Å; Y173-Q176 PolarHBondContact O-N 3.45Å; Y173-L177 HydrophobicContact CD1-CD1 4.18Å; Y173-L177 HydrophobicContact CE1-CD1 3.63Å; Y173-L177 HydrophobicContact CE2-CD1 4.27Å; Y173-L177 HydrophobicContact CE2-CG 4.38Å; Y173-L177 WeakPolarHBondContact O-CG 3.37Å; Y173-L177 PolarHBondContact O-N 2.87Å
174S93.7Very high92.8Very high70 Ų7048.1 Ų48.149%0.4926%0.26SS..Hα-helixtrans-63.8-36.317557.10000112.9S172 L178S172-S174 PolarHBondContact O-N 3.25Å; S174-L178 WeakPolarHBondContact O-CB 3.1Å; S174-L178 PolarHBondContact O-N 2.99Å
175T94Very high92.6Very high1 Ų148.5 Ų48.51%0.00627%0.269CS..Hα-helixtrans-70.6-35.4177.3-55.60000111.3S172 Y173 L178 L179 C230 K231 L248S172-T175 CarbonylContact O-C 3.58Å; S172-T175 WeakPolarHBondContact O-CA 3.29Å; S172-T175 WeakPolarHBondContact O-CB 3.2Å; S172-T175 PolarHBondContact O-N 3.43Å; Y173-T175 VanDerWaalsContact C-N 3.31Å; Y173-T175 PolarHBondContact O-N 3.06Å; T175-L178 PolarHBondContact O-N 2.93Å; T175-L179 VanDerWaalsContact O-CB 3.32Å; T175-L179 WeakPolarHBondContact O-CB 3.38Å; T175-L179 PolarHBondContact O-N 3.3Å; T175-C230 HydrophobicContact CG2-CB 4.1Å; T175-K231 HydrophobicContact CG2-CB 4.26Å; T175-L248 HydrophobicContact CG2-CD1 3.92Å
176Q93.8Very high92.5Very high7 Ų749.1 Ų49.13%0.03327%0.265CS..Hα-helixtrans-66.8-45175.4174161-28.800111.2D130 N134 S172 Y173 L178 L179 N180 K231D130-Q176 HydrophobicContact CB-CG 4.45Å; D130-Q176 VanDerWaalsContact CG-NE2 3.27Å; D130-Q176 PolarHBondContact OD1-NE2 3.01Å; N134-Q176 PolarHBondContact OD1-OE1 3.4Å; N134-Q176 VanDerWaalsContact OD1-OE1 3.1Å; S172-Q176 PolarHBondContact O-N 3.22Å; Y173-Q176 PolarHBondContact O-N 3.45Å; Q176-L178 VanDerWaalsContact C-N 3.34Å; Q176-L178 PolarHBondContact O-N 3.22Å; Q176-L179 WeakPolarHBondContact O-CB 3.45Å; Q176-L179 PolarHBondContact O-N 3.34Å; Q176-L179 VanDerWaalsContact O-N 3.13Å; Q176-N180 PolarHBondContact O-N 3.44Å; Q176-K231 HydrophobicContact CB-CD 4.49Å
177L92.8Very high92.2Very high42 Ų4245.5 Ų45.522%0.2225%0.246CC..Hα-helixtrans-60.8-44.2173.9-69.5173.7000111.7T126 V127 D130 Y173 L179 N180 V181T126-L177 HydrophobicContact CG2-CD2 4.43Å; V127-L177 HydrophobicContact CG2-CD2 4.13Å; D130-L177 HydrophobicContact CB-CD2 4.24Å; D130-L177 WeakPolarHBondContact OD2-CD2 3.3Å; Y173-L177 HydrophobicContact CD1-CD1 4.18Å; Y173-L177 HydrophobicContact CE1-CD1 3.63Å; Y173-L177 HydrophobicContact CE2-CD1 4.27Å; Y173-L177 HydrophobicContact CE2-CG 4.38Å; Y173-L177 WeakPolarHBondContact O-CG 3.37Å; Y173-L177 PolarHBondContact O-N 2.87Å; L177-L179 PolarHBondContact O-N 2.73Å; L177-N180 PolarHBondContact O-N 2.93Å; L177-V181 PolarHBondContact O-N 3.07Å
178L93.9Very high91.9Very high88 Ų8845.3 Ų45.346%0.46124%0.235SC..Hα-helixtrans-67.8-21.3177.4-170.164.7000112.8S174 T175 Q176 P182 L227 L248S174-L178 WeakPolarHBondContact O-CB 3.1Å; S174-L178 PolarHBondContact O-N 2.99Å; T175-L178 PolarHBondContact O-N 2.93Å; Q176-L178 VanDerWaalsContact C-N 3.34Å; Q176-L178 PolarHBondContact O-N 3.22Å; L178-P182 WeakPolarHBondContact O-CD 3.33Å; L178-P182 WeakPolarHBondContact O-CG 3.21Å; L178-L227 HydrophobicContact CD2-CD2 4.25Å; L178-L227 HydrophobicContact CG-CD1 4.37Å; L178-L227 WeakPolarHBondContact O-CD1 3.39Å; L178-L248 HydrophobicContact CD2-CD2 3.6Å
179L93Very high91.7Very high10 Ų1050.3 Ų50.35%0.05227%0.265CS..Hα-helixtrans-78-44.1172.6177.3160.6000111T175 Q176 L177 P182 F183 L227 D228T175-L179 VanDerWaalsContact O-CB 3.32Å; T175-L179 WeakPolarHBondContact O-CB 3.38Å; T175-L179 PolarHBondContact O-N 3.3Å; Q176-L179 WeakPolarHBondContact O-CB 3.45Å; Q176-L179 PolarHBondContact O-N 3.34Å; Q176-L179 VanDerWaalsContact O-N 3.13Å; L177-L179 PolarHBondContact O-N 2.73Å; L179-P182 WeakPolarHBondContact O-CD 3.4Å; L179-F183 VanDerWaalsContact O-CB 3.32Å; L179-F183 WeakPolarHBondContact O-CB 3.32Å; L179-F183 PolarHBondContact O-N 3.33Å; L179-F183 VanDerWaalsContact O-N 3.13Å; L179-L227 HydrophobicContact CB-CB 4.1Å; L179-L227 HydrophobicContact CB-CD1 4.47Å; L179-L227 HydrophobicContact CD1-CB 4.28Å; L179-L227 HydrophobicContact CG-CB 4.33Å; L179-D228 HydrophobicContact CD1-CB 3.66Å
180N88.6Confident91.5Very high39 Ų3950 Ų5021%0.20927%0.265CS..Hα-helixtrans-66.6-43.2-172.6-75.5-13.7000112.3T126 D130 Q176 L177 F183 Q184T126-N180 HydrophobicContact CG2-CB 4.4Å; D130-N180 PolarHBondContact OD1-ND2 3.21Å; D130-N180 PolarHBondContact OD2-ND2 2.98Å; Q176-N180 PolarHBondContact O-N 3.44Å; L177-N180 PolarHBondContact O-N 2.93Å; N180-F183 PolarHBondContact O-N 3.49Å; N180-Q184 WeakPolarHBondContact O-CG 3.43Å; N180-Q184 PolarHBondContact O-N 3.01Å
181V86.7Confident91.2Very high99 Ų9946.9 Ų46.960%0.625%0.253SS*.Hα-helixtrans-62.3-54.4-178173.10000112.2L177 F183 Q184 S185L177-V181 PolarHBondContact O-N 3.07Å; V181-F183 VanDerWaalsContact C-N 3.31Å; V181-F183 PolarHBondContact O-N 3.43Å; V181-Q184 PolarHBondContact O-N 3.35Å; V181-S185 PolarHBondContact O-N 2.93Å; V181-S185 PolarHBondContact O-OG 2.99Å; V181-S185 VanDerWaalsContact O-OG 3.11Å
182P91.4Very high90.9Very high41 Ų4148 Ų4827%0.26626%0.259SS..Hα-helixtrans-61.8-36.8175.9-23.135.2000113L178 L179 I186 T224L178-P182 WeakPolarHBondContact O-CD 3.33Å; L178-P182 WeakPolarHBondContact O-CG 3.21Å; L179-P182 WeakPolarHBondContact O-CD 3.4Å; P182-I186 WeakPolarHBondContact O-CB 3.46Å; P182-I186 WeakPolarHBondContact O-CD1 3.41Å; P182-I186 WeakPolarHBondContact O-CG1 3.27Å; P182-I186 PolarHBondContact O-N 3.35Å; P182-T224 HydrophobicContact CB-CG2 4.18Å
183F90.3Very high90.8Very high30 Ų3053.6 Ų53.613%0.13228%0.284CS..Hα-helixtrans-58.7-52.7177.4-177.4-89.6000110.6L179 N180 V181 I186 H187 A220 A221 T224L179-F183 VanDerWaalsContact O-CB 3.32Å; L179-F183 WeakPolarHBondContact O-CB 3.32Å; L179-F183 PolarHBondContact O-N 3.33Å; L179-F183 VanDerWaalsContact O-N 3.13Å; N180-F183 PolarHBondContact O-N 3.49Å; V181-F183 VanDerWaalsContact C-N 3.31Å; V181-F183 PolarHBondContact O-N 3.43Å; F183-I186 PolarHBondContact O-N 3.37Å; F183-H187 VanDerWaalsContact O-CB 3.22Å; F183-H187 WeakPolarHBondContact O-CB 3.31Å; F183-H187 PolarHBondContact O-N 3.42Å; F183-A220 HydrophobicContact CD2-CB 3.77Å; F183-A220 HydrophobicContact CE2-CB 3.8Å; F183-A220 HydrophobicContact CG-CB 4.27Å; F183-A220 HydrophobicContact CZ-CB 4.3Å; F183-A220 WeakPolarHBondContact O-CB 3.32Å; F183-A221 HydrophobicContact CE2-CB 4.11Å; F183-T224 HydrophobicContact CB-CG2 3.96Å; F183-T224 HydrophobicContact CD2-CG2 4.46Å
184Q87.8Confident90.7Very high90 Ų9054.2 Ų54.242%0.42129%0.286SS..Hα-helixtrans-65.1-43.8-178.5-65-67.668.100111.7N180 V181 I186 H187 F188N180-Q184 WeakPolarHBondContact O-CG 3.43Å; N180-Q184 PolarHBondContact O-N 3.01Å; V181-Q184 PolarHBondContact O-N 3.35Å; Q184-I186 PolarHBondContact O-N 2.97Å; Q184-H187 PolarHBondContact O-N 3.13Å; Q184-F188 HydrophobicContact CB-CE2 4.37Å; Q184-F188 WeakPolarHBondContact O-CD2 3.32Å; Q184-F188 PolarHBondContact O-N 3.49Å
185S87.8Confident90.4Very high68 Ų6851.3 Ų51.348%0.47626%0.264SS..Hα-helixtrans-61.4-46.8178.4-60.60000112.4V181 H187 V189V181-S185 PolarHBondContact O-N 2.93Å; V181-S185 PolarHBondContact O-OG 2.99Å; V181-S185 VanDerWaalsContact O-OG 3.11Å; S185-H187 VanDerWaalsContact C-N 3.33Å; S185-V189 WeakPolarHBondContact O-CB 3.48Å; S185-V189 WeakPolarHBondContact O-CG2 3.25Å; S185-V189 PolarHBondContact O-N 3.01Å; S185-V189 VanDerWaalsContact O-N 3.12Å
186I91.7Very high90.2Very high41 Ų4156.9 Ų56.921%0.2129%0.29CS..Hα-helixtrans-66.1-41178.6-65.2165.5000110.1P182 F183 Q184 S190 L219 A220 V223P182-I186 WeakPolarHBondContact O-CB 3.46Å; P182-I186 WeakPolarHBondContact O-CD1 3.41Å; P182-I186 WeakPolarHBondContact O-CG1 3.27Å; P182-I186 PolarHBondContact O-N 3.35Å; F183-I186 PolarHBondContact O-N 3.37Å; Q184-I186 PolarHBondContact O-N 2.97Å; I186-S190 WeakPolarHBondContact O-CB 3.33Å; I186-S190 PolarHBondContact O-N 3.25Å; I186-S190 PolarHBondContact O-OG 2.92Å; I186-L219 HydrophobicContact CG2-CG 4.24Å; I186-A220 HydrophobicContact CB-CB 4.1Å; I186-A220 HydrophobicContact CG2-CB 3.94Å; I186-V223 HydrophobicContact CD1-CB 3.79Å; I186-V223 HydrophobicContact CD1-CG1 3.48Å; I186-V223 VanDerWaalsContact CD1-CG1 3.48Å; I186-V223 HydrophobicContact CD1-CG2 4.33Å
187H89.1Confident90.1Very high32 Ų3261.7 Ų61.715%0.14832%0.316CS..Hα-helixtrans-57-54.8178.4-173.1107.2000110.8F183 Q184 S185 S190 Y191 A216 G217 A220F183-H187 VanDerWaalsContact O-CB 3.22Å; F183-H187 WeakPolarHBondContact O-CB 3.31Å; F183-H187 PolarHBondContact O-N 3.42Å; Q184-H187 PolarHBondContact O-N 3.13Å; S185-H187 VanDerWaalsContact C-N 3.33Å; H187-S190 PolarHBondContact O-N 3.43Å; H187-Y191 WeakPolarHBondContact O-CB 3.24Å; H187-Y191 PolarHBondContact O-N 3.35Å; H187-A216 WeakPolarHBondContact O-CB 3.15Å; H187-G217 VanDerWaalsContact ND1-CA 3.34Å; H187-G217 WeakPolarHBondContact ND1-CA 3.11Å; H187-A220 HydrophobicContact CB-CB 4.05Å
188F86.8Confident90Very high91 Ų9163.1 Ų63.140%0.39932%0.323SS..Hα-helixtrans-64-47.4-177.4-72.5-58.6000112.6M8 Q184 S190 Y191 E192M8-F188 HydrophobicContact CE-CD1 3.53Å; M8-F188 HydrophobicContact CE-CE1 3.21Å; M8-F188 HydrophobicContact CE-CZ 4.14Å; M8-F188 HydrophobicContact SD-CD1 4.2Å; M8-F188 HydrophobicContact SD-CE1 4.35Å; Q184-F188 HydrophobicContact CB-CE2 4.37Å; Q184-F188 WeakPolarHBondContact O-CD2 3.32Å; Q184-F188 PolarHBondContact O-N 3.49Å; F188-S190 VanDerWaalsContact C-N 3.32Å; F188-S190 PolarHBondContact O-N 3.07Å; F188-Y191 PolarHBondContact O-N 3.07Å; F188-E192 PolarHBondContact O-N 2.66Å
189V90.2Very high89.7Confident106 Ų10659.6 Ų59.664%0.64231%0.305SS*.Hα-helixtrans-61.6-42.7179.5172.70000111.3S185 Y191 F193S185-V189 WeakPolarHBondContact O-CB 3.48Å; S185-V189 WeakPolarHBondContact O-CG2 3.25Å; S185-V189 PolarHBondContact O-N 3.01Å; S185-V189 VanDerWaalsContact O-N 3.12Å; V189-Y191 VanDerWaalsContact C-N 3.35Å; V189-F193 PolarHBondContact O-N 3.01Å
190S90.4Very high89.3Confident13 Ų1363.2 Ų63.29%0.09133%0.329CS..Hα-helixtrans-70.1-35.7179.4-53.30000111.6I186 H187 F188 F193 W194 L219I186-S190 WeakPolarHBondContact O-CB 3.33Å; I186-S190 PolarHBondContact O-N 3.25Å; I186-S190 PolarHBondContact O-OG 2.92Å; H187-S190 PolarHBondContact O-N 3.43Å; F188-S190 VanDerWaalsContact C-N 3.32Å; F188-S190 PolarHBondContact O-N 3.07Å; S190-F193 PolarHBondContact O-N 2.72Å; S190-W194 PolarHBondContact O-N 3.16Å; S190-L219 WeakPolarHBondContact OG-CD2 3.38Å
191Y89.8Confident89.1Confident36 Ų3667.2 Ų67.214%0.14135%0.35CS..Hα-helixtrans-62.2-47.4178.1172.5-92.4000111.4M8 H187 F188 V189 F193 W194 Q195 H209M8-Y191 HydrophobicContact SD-CE1 4.49Å; H187-Y191 WeakPolarHBondContact O-CB 3.24Å; H187-Y191 PolarHBondContact O-N 3.35Å; F188-Y191 PolarHBondContact O-N 3.07Å; V189-Y191 VanDerWaalsContact C-N 3.35Å; Y191-F193 VanDerWaalsContact C-N 3.34Å; Y191-F193 PolarHBondContact O-N 3.36Å; Y191-W194 PolarHBondContact O-N 3.24Å; Y191-Q195 HydrophobicContact CD1-CG 4.22Å; Y191-Q195 HydrophobicContact CE1-CG 3.7Å; Y191-Q195 HydrophobicContact CE2-CG 4.12Å; Y191-Q195 PolarHBondContact O-N 3.49Å; Y191-Q195 PolarHBondContact OH-NE2 3.18Å; Y191-H209 AromaticContact CZ-ND1 3.98Å; Y191-H209 PolarHBondContact OH-ND1 3.45Å
192E88.4Confident88.6Confident50 Ų5065.5 Ų65.523%0.23434%0.336CS..Hα-helixtrans-58.8-46.8175.7-70.2-57128.300111.1F188 W194 Q195 E196F188-E192 PolarHBondContact O-N 2.66Å; E192-W194 VanDerWaalsContact C-N 3.33Å; E192-W194 PolarHBondContact O-N 3.04Å; E192-Q195 PolarHBondContact O-N 3.4Å; E192-Q195 VanDerWaalsContact O-N 3.13Å; E192-E196 WeakPolarHBondContact O-CG 3.36Å; E192-E196 PolarHBondContact O-N 3.4Å
193F92.7Very high88.1Confident118 Ų11870.6 Ų70.652%0.51835%0.353SS..Hα-helixtrans-56.4-44.9176.4174.4-95.7000112.6V189 S190 Y191 L197V189-F193 PolarHBondContact O-N 3.01Å; S190-F193 PolarHBondContact O-N 2.72Å; Y191-F193 VanDerWaalsContact C-N 3.34Å; Y191-F193 PolarHBondContact O-N 3.36Å; F193-L197 PolarHBondContact O-N 3.08Å
194W91.1Very high87.5Confident67 Ų6776.8 Ų76.825%0.25438%0.377SS..Hα-helixtrans-71.2-32.6177.8-70.1119.1000112.8S190 Y191 E192 L197 L198 S212 L215S190-W194 PolarHBondContact O-N 3.16Å; Y191-W194 PolarHBondContact O-N 3.24Å; E192-W194 VanDerWaalsContact C-N 3.33Å; E192-W194 PolarHBondContact O-N 3.04Å; W194-L197 HydrophobicContact CE3-CD2 4.04Å; W194-L197 HydrophobicContact CZ3-CD2 3.84Å; W194-L197 PolarHBondContact O-N 3.09Å; W194-L198 HydrophobicContact CB-CD1 4.37Å; W194-L198 VanDerWaalsContact O-CB 3.24Å; W194-L198 WeakPolarHBondContact O-CB 3.43Å; W194-L198 WeakPolarHBondContact O-CG 3.38Å; W194-L198 PolarHBondContact O-N 3.33Å; W194-S212 PolarHBondContact O-OG 3.44Å; W194-L215 HydrophobicContact CD2-CB 4.06Å; W194-L215 HydrophobicContact CD2-CD1 3.68Å; W194-L215 HydrophobicContact CE3-CD1 3.73Å; W194-L215 HydrophobicContact CG-CB 4.03Å; W194-L215 HydrophobicContact CG-CD1 4.18Å; W194-L215 HydrophobicContact CH2-CD1 4.29Å; W194-L215 HydrophobicContact CZ2-CB 4.35Å; W194-L215 HydrophobicContact CZ2-CD1 4.25Å; W194-L215 HydrophobicContact CZ3-CD1 4.04Å
195Q87.8Confident87.2Confident8 Ų874.6 Ų74.64%0.03737%0.372CS..Hα-helixtrans-65-44.2173.2-81.2-64.6-2100112.1Y191 E192 L197 N199 H209Y191-Q195 HydrophobicContact CD1-CG 4.22Å; Y191-Q195 HydrophobicContact CE1-CG 3.7Å; Y191-Q195 HydrophobicContact CE2-CG 4.12Å; Y191-Q195 PolarHBondContact O-N 3.49Å; Y191-Q195 PolarHBondContact OH-NE2 3.18Å; E192-Q195 PolarHBondContact O-N 3.4Å; E192-Q195 VanDerWaalsContact O-N 3.13Å; Q195-L197 PolarHBondContact O-N 3.13Å; Q195-N199 CarbonylContact O-C 3.29Å; Q195-N199 VanDerWaalsContact O-C 3.29Å; Q195-N199 VanDerWaalsContact O-CA 3.31Å; Q195-N199 WeakPolarHBondContact O-CA 3.5Å; Q195-N199 WeakPolarHBondContact O-CB 3.33Å; Q195-N199 PolarHBondContact O-N 3.18Å; Q195-H209 PolarHBondContact NE2-ND1 3.34Å; Q195-H209 VanDerWaalsContact NE2-ND1 3.2Å
196E90.2Very high86.8Confident119 Ų11975 Ų7556%0.55637%0.373SS*.Hα-helixtrans-59.4-37.5175.4-72.1-178169.500111.7E192E192-E196 WeakPolarHBondContact O-CG 3.36Å; E192-E196 PolarHBondContact O-N 3.4Å
197L91.9Very high86.5Confident108 Ų10876.4 Ų76.457%0.56539%0.391SS*.Hα-helixtrans-79.9-44-178.7-171.363000113.7F193 W194 Q195F193-L197 PolarHBondContact O-N 3.08Å; W194-L197 HydrophobicContact CE3-CD2 4.04Å; W194-L197 HydrophobicContact CZ3-CD2 3.84Å; W194-L197 PolarHBondContact O-N 3.09Å; Q195-L197 PolarHBondContact O-N 3.13Å
198L89.6Confident86.4Confident71 Ų7175.3 Ų75.337%0.37239%0.387SS..Hα-helixtrans-90.3-21.1-173.6-63.9172.1000113.1W194 L211 L215W194-L198 HydrophobicContact CB-CD1 4.37Å; W194-L198 VanDerWaalsContact O-CB 3.24Å; W194-L198 WeakPolarHBondContact O-CB 3.43Å; W194-L198 WeakPolarHBondContact O-CG 3.38Å; W194-L198 PolarHBondContact O-N 3.33Å; L198-L211 HydrophobicContact CD1-CB 4.25Å; L198-L211 HydrophobicContact CD1-CD2 3.78Å; L198-L211 HydrophobicContact CD1-CG 3.81Å; L198-L211 HydrophobicContact CD2-CD2 4.27Å; L198-L215 HydrophobicContact CD1-CD1 4.24Å
199N87.7Confident86.2Confident14 Ų1472.7 Ų72.78%0.07538%0.375CS..  trans-13662.6-179.9-17118.6000111.6Q195 N201 H202 K203Q195-N199 CarbonylContact O-C 3.29Å; Q195-N199 VanDerWaalsContact O-C 3.29Å; Q195-N199 VanDerWaalsContact O-CA 3.31Å; Q195-N199 WeakPolarHBondContact O-CA 3.5Å; Q195-N199 WeakPolarHBondContact O-CB 3.33Å; Q195-N199 PolarHBondContact O-N 3.18Å; N199-N201 PolarHBondContact O-N 3.34Å; N199-H202 PolarHBondContact O-N 3.29Å; N199-K203 PolarHBondContact ND2-O 3.44Å; N199-K203 PolarHBondContact OD1-N 3.26Å; N199-K203 PolarHBondContact OD1-O 2.87Å
200P84.8Confident86Confident87 Ų8770.5 Ų70.557%0.56536%0.362SS*.THydrogen-bonded Turntrans-63.2-18.6-175.224.9-35000113.8
201N83.8Confident85.9Confident123 Ų12373.6 Ų73.666%0.65838%0.378SS*.THydrogen-bonded Turntrans-89.5-1.6177.3-63.9-48.4000113.2N199 K203N199-N201 PolarHBondContact O-N 3.34Å; N201-K203 HydrophobicContact CB-CG 4.22Å; N201-K203 PolarHBondContact O-N 3.2Å; N201-K203 VanDerWaalsContact O-N 3.08Å
202H78.2Confident85.9Confident62 Ų6271.9 Ų71.929%0.28737%0.371SS..  trans45.439.2-175.3-61.3-74.4000113.5N199N199-H202 PolarHBondContact O-N 3.29Å
203K79.1Confident85.8Confident148 Ų14869.8 Ų69.864%0.64336%0.362SS*.  trans-91.6138.8173.8-70.8-173.5178.8-179.20108.8N199 N201 S205N199-K203 PolarHBondContact ND2-O 3.44Å; N199-K203 PolarHBondContact OD1-N 3.26Å; N199-K203 PolarHBondContact OD1-O 2.87Å; N201-K203 HydrophobicContact CB-CG 4.22Å; N201-K203 PolarHBondContact O-N 3.2Å; N201-K203 VanDerWaalsContact O-N 3.08Å; K203-S205 PolarHBondContact O-N 3.14Å
204Y77.5Confident85.6Confident160 Ų16064.9 Ų64.963%0.62734%0.344SS*.  trans-53112.3177.2-175.8-101.3000111.1P206Y204-P206 HydrophobicContact CD1-CG 4.38Å; Y204-P206 HydrophobicContact CE1-CG 3.69Å
205S82.1Confident85.6Confident45 Ų4564.8 Ų64.832%0.31535%0.348SS..  trans-138.1100.6-178.9175.70000108.8K203 A207 S208 H209K203-S205 PolarHBondContact O-N 3.14Å; S205-A207 PolarHBondContact O-N 3.46Å; S205-S208 WeakPolarHBondContact CB-OG 3.39Å; S205-S208 PolarHBondContact O-N 3.45Å; S205-S208 PolarHBondContact O-OG 3.1Å; S205-H209 PolarHBondContact O-CD2 2.73Å; S205-H209 PolarHBondContact O-N 3.05Å
206P80.4Confident85.8Confident75 Ų7564.4 Ų64.449%0.48735%0.346SS..Hα-helixtrans-53.2-35.2-178.1-29.235.3000113.3Y204 H209 V210Y204-P206 HydrophobicContact CD1-CG 4.38Å; Y204-P206 HydrophobicContact CE1-CG 3.69Å; P206-H209 PolarHBondContact O-N 3.38Å; P206-V210 VanDerWaalsContact O-CG2 3.27Å; P206-V210 WeakPolarHBondContact O-CG2 3.36Å; P206-V210 PolarHBondContact O-N 3.19Å
207A84.5Confident85.8Confident72 Ų7258.8 Ų58.860%0.59532%0.32SS*.Hα-helixtrans-66.2-38.9178.100000112.8S205 L211S205-A207 PolarHBondContact O-N 3.46Å; A207-L211 WeakPolarHBondContact O-CB 3.36Å; A207-L211 PolarHBondContact O-N 3.43Å
208S86.4Confident85.8Confident8 Ų853.9 Ų53.96%0.05630%0.296CS..Hα-helixtrans-68.2-42.617668.40000110.6S205 V210 L211 S212S205-S208 WeakPolarHBondContact CB-OG 3.39Å; S205-S208 PolarHBondContact O-N 3.45Å; S205-S208 PolarHBondContact O-OG 3.1Å; S208-V210 PolarHBondContact O-N 2.97Å; S208-L211 PolarHBondContact O-N 3.36Å; S208-S212 WeakPolarHBondContact O-CB 3.26Å; S208-S212 PolarHBondContact O-N 2.89Å; S208-S212 PolarHBondContact O-OG 2.9Å
209H84.3Confident86Confident36 Ų3654.3 Ų54.317%0.16730%0.298CS..Hα-helixtrans-59-45.7175.4-67-71.1000112.7E7 Y191 Q195 S205 P206 G213E7-H209 IonicContact OE2-CE1 3.19Å; E7-H209 PolarHBondContact OE2-CE1 3.15Å; E7-H209 IonicContact OE2-NE2 3.45Å; E7-H209 PolarHBondContact OE2-NE2 3.32Å; Y191-H209 AromaticContact CZ-ND1 3.98Å; Y191-H209 PolarHBondContact OH-ND1 3.45Å; Q195-H209 PolarHBondContact NE2-ND1 3.34Å; Q195-H209 VanDerWaalsContact NE2-ND1 3.2Å; S205-H209 PolarHBondContact O-CD2 2.73Å; S205-H209 PolarHBondContact O-N 3.05Å; P206-H209 PolarHBondContact O-N 3.38Å; H209-G213 PolarHBondContact O-N 2.92Å
210V84.8Confident86.3Confident60 Ų6053.7 Ų53.736%0.36429%0.294SS..Hα-helixtrans-63.9-46178.1171.90000110.8P206 S208 A214 M276P206-V210 VanDerWaalsContact O-CG2 3.27Å; P206-V210 WeakPolarHBondContact O-CG2 3.36Å; P206-V210 PolarHBondContact O-N 3.19Å; S208-V210 PolarHBondContact O-N 2.97Å; V210-A214 WeakPolarHBondContact O-CB 3.18Å; V210-A214 PolarHBondContact O-N 3.49Å; V210-M276 HydrophobicContact CG1-CE 3.41Å; V210-M276 VanDerWaalsContact CG1-CE 3.41Å; V210-M276 HydrophobicContact CG1-CG 3.99Å; V210-M276 HydrophobicContact CG1-SD 4.42Å
211L89.1Confident86.7Confident79 Ų7949.6 Ų49.641%0.41427%0.268SS..Hα-helixtrans-69.6-44.8-178.6-175.858000112.2L198 A207 S208 A214 L215L198-L211 HydrophobicContact CD1-CB 4.25Å; L198-L211 HydrophobicContact CD1-CD2 3.78Å; L198-L211 HydrophobicContact CD1-CG 3.81Å; L198-L211 HydrophobicContact CD2-CD2 4.27Å; A207-L211 WeakPolarHBondContact O-CB 3.36Å; A207-L211 PolarHBondContact O-N 3.43Å; S208-L211 PolarHBondContact O-N 3.36Å; L211-A214 WeakPolarHBondContact O-CB 3.47Å; L211-A214 PolarHBondContact O-N 3.49Å; L211-L215 HydrophobicContact CD1-CD1 4.2Å; L211-L215 HydrophobicContact CD1-CG 4.24Å; L211-L215 HydrophobicContact CG-CD1 4.1Å; L211-L215 VanDerWaalsContact O-CG 3.31Å; L211-L215 WeakPolarHBondContact O-CG 3.09Å; L211-L215 PolarHBondContact O-N 3.46Å
212S89.2Confident87.2Confident0 Ų044.6 Ų44.60%024%0.244CC..Hα-helixtrans-62.2-44.7175.9-62.80000111.2W194 S208 A214 L215 A216W194-S212 PolarHBondContact O-OG 3.44Å; S208-S212 WeakPolarHBondContact O-CB 3.26Å; S208-S212 PolarHBondContact O-N 2.89Å; S208-S212 PolarHBondContact O-OG 2.9Å; S212-A214 VanDerWaalsContact C-N 3.34Å; S212-A214 PolarHBondContact O-N 3.37Å; S212-L215 PolarHBondContact O-N 3.02Å; S212-A216 WeakPolarHBondContact O-CB 3.27Å; S212-A216 PolarHBondContact O-N 3.25Å
213G86.8Confident88Confident5 Ų545.6 Ų45.65%0.05225%0.254CS..Hα-helixtrans-63-39175.300000112.8H209 G217H209-G213 PolarHBondContact O-N 2.92Å; G213-G217 PolarHBondContact O-N 3.3Å
214A88.6Confident88.7Confident16 Ų1638.6 Ų38.613%0.13222%0.224CC..Hα-helixtrans-62.5-50174.700000112.4V210 L211 S212 G218 M276V210-A214 WeakPolarHBondContact O-CB 3.18Å; V210-A214 PolarHBondContact O-N 3.49Å; L211-A214 WeakPolarHBondContact O-CB 3.47Å; L211-A214 PolarHBondContact O-N 3.49Å; S212-A214 VanDerWaalsContact C-N 3.34Å; S212-A214 PolarHBondContact O-N 3.37Å; A214-G218 WeakPolarHBondContact O-CA 3.41Å; A214-G218 PolarHBondContact O-N 3.46Å; A214-M276 HydrophobicContact CB-CB 3.54Å; A214-M276 HydrophobicContact CB-CG 3.82Å; A214-M276 HydrophobicContact CB-SD 4.33Å
215L91.9Very high89.6Confident65 Ų6531 Ų3134%0.3419%0.194SC..Hα-helixtrans-67.3-44.3-179.2-68172000111.2W194 L198 L211 S212 G218 L219W194-L215 HydrophobicContact CD2-CB 4.06Å; W194-L215 HydrophobicContact CD2-CD1 3.68Å; W194-L215 HydrophobicContact CE3-CD1 3.73Å; W194-L215 HydrophobicContact CG-CB 4.03Å; W194-L215 HydrophobicContact CG-CD1 4.18Å; W194-L215 HydrophobicContact CH2-CD1 4.29Å; W194-L215 HydrophobicContact CZ2-CB 4.35Å; W194-L215 HydrophobicContact CZ2-CD1 4.25Å; W194-L215 HydrophobicContact CZ3-CD1 4.04Å; L198-L215 HydrophobicContact CD1-CD1 4.24Å; L211-L215 HydrophobicContact CD1-CD1 4.2Å; L211-L215 HydrophobicContact CD1-CG 4.24Å; L211-L215 HydrophobicContact CG-CD1 4.1Å; L211-L215 VanDerWaalsContact O-CG 3.31Å; L211-L215 WeakPolarHBondContact O-CG 3.09Å; L211-L215 PolarHBondContact O-N 3.46Å; S212-L215 PolarHBondContact O-N 3.02Å; L215-G218 PolarHBondContact O-N 3.01Å; L215-L219 WeakPolarHBondContact O-CB 3.2Å; L215-L219 PolarHBondContact O-N 3.13Å
216A91.4Very high90.2Very high0 Ų030.5 Ų30.50%019%0.19CC..Hα-helixtrans-63.7-50.2178.400000112.1H187 S212 G218 L219 A220H187-A216 WeakPolarHBondContact O-CB 3.15Å; S212-A216 WeakPolarHBondContact O-CB 3.27Å; S212-A216 PolarHBondContact O-N 3.25Å; A216-G218 VanDerWaalsContact C-N 3.34Å; A216-G218 PolarHBondContact O-N 2.91Å; A216-L219 PolarHBondContact O-N 2.91Å; A216-A220 WeakPolarHBondContact O-CB 3.34Å; A216-A220 PolarHBondContact O-N 3.41Å
217G89.1Confident91Very high0 Ų028.6 Ų28.60%018%0.175CC..Hα-helixtrans-68.3-34.917800000112.2H187 G213 A220 A221H187-G217 VanDerWaalsContact ND1-CA 3.34Å; H187-G217 WeakPolarHBondContact ND1-CA 3.11Å; G213-G217 PolarHBondContact O-N 3.3Å; G217-A220 PolarHBondContact O-N 3.43Å; G217-A221 WeakPolarHBondContact O-CB 3.35Å; G217-A221 PolarHBondContact O-N 3.01Å
218G92.6Very high91.5Very high6 Ų625.7 Ų25.76%0.06215%0.15CC..Hα-helixtrans-61.7-43.5173.100000112.1A214 L215 A216 A221 A222A214-G218 WeakPolarHBondContact O-CA 3.41Å; A214-G218 PolarHBondContact O-N 3.46Å; L215-G218 PolarHBondContact O-N 3.01Å; A216-G218 VanDerWaalsContact C-N 3.34Å; A216-G218 PolarHBondContact O-N 2.91Å; G218-A221 PolarHBondContact O-N 2.92Å; G218-A222 VanDerWaalsContact O-CB 3.27Å; G218-A222 WeakPolarHBondContact O-CB 3.27Å; G218-A222 PolarHBondContact O-N 2.84Å
219L94.3Very high91.9Very high80 Ų8025.4 Ų25.442%0.41915%0.148SC..Hα-helixtrans-66-45.5174.5179.258.9000112I186 S190 L215 A216 A221 A222 V223I186-L219 HydrophobicContact CG2-CG 4.24Å; S190-L219 WeakPolarHBondContact OG-CD2 3.38Å; L215-L219 WeakPolarHBondContact O-CB 3.2Å; L215-L219 PolarHBondContact O-N 3.13Å; A216-L219 PolarHBondContact O-N 2.91Å; L219-A221 VanDerWaalsContact C-N 3.31Å; L219-A221 PolarHBondContact O-N 3.21Å; L219-A222 WeakPolarHBondContact O-CB 3.4Å; L219-A222 PolarHBondContact O-N 2.87Å; L219-V223 HydrophobicContact CD1-CG2 4.16Å; L219-V223 WeakPolarHBondContact O-CG2 3.43Å; L219-V223 PolarHBondContact O-N 3.04Å
220A93.2Very high92.5Very high0 Ų023.8 Ų23.80%014%0.141CC..Hα-helixtrans-60.4-42.717600000111.7F183 I186 H187 A216 G217 T224F183-A220 HydrophobicContact CD2-CB 3.77Å; F183-A220 HydrophobicContact CE2-CB 3.8Å; F183-A220 HydrophobicContact CG-CB 4.27Å; F183-A220 HydrophobicContact CZ-CB 4.3Å; F183-A220 WeakPolarHBondContact O-CB 3.32Å; I186-A220 HydrophobicContact CB-CB 4.1Å; I186-A220 HydrophobicContact CG2-CB 3.94Å; H187-A220 HydrophobicContact CB-CB 4.05Å; A216-A220 WeakPolarHBondContact O-CB 3.34Å; A216-A220 PolarHBondContact O-N 3.41Å; G217-A220 PolarHBondContact O-N 3.43Å; A220-T224 WeakPolarHBondContact O-CB 3.38Å; A220-T224 WeakPolarHBondContact O-CG2 3.32Å; A220-T224 PolarHBondContact O-N 3.47Å; A220-T224 PolarHBondContact O-OG1 3.24Å
221A92.7Very high93Very high1 Ų121.8 Ų21.81%0.00813%0.127CC..Hα-helixtrans-63.9-43.317600000111.5F183 G217 G218 L219 T224 T225 R271F183-A221 HydrophobicContact CE2-CB 4.11Å; G217-A221 WeakPolarHBondContact O-CB 3.35Å; G217-A221 PolarHBondContact O-N 3.01Å; G218-A221 PolarHBondContact O-N 2.92Å; L219-A221 VanDerWaalsContact C-N 3.31Å; L219-A221 PolarHBondContact O-N 3.21Å; A221-T224 PolarHBondContact O-N 3.42Å; A221-T224 PolarHBondContact O-OG1 3.01Å; A221-T225 PolarHBondContact O-N 3.29Å; A221-T225 PolarHBondContact O-OG1 3.42Å; A221-R271 HydrophobicContact CB-CB 4.12Å
222A94.3Very high93.3Very high19 Ų1918 Ų1816%0.15711%0.107CC..Hα-helixtrans-57-53.7175.600000111.9G218 L219 T224 T225 F268 V272G218-A222 VanDerWaalsContact O-CB 3.27Å; G218-A222 WeakPolarHBondContact O-CB 3.27Å; G218-A222 PolarHBondContact O-N 2.84Å; L219-A222 WeakPolarHBondContact O-CB 3.4Å; L219-A222 PolarHBondContact O-N 2.87Å; A222-T224 VanDerWaalsContact C-N 3.32Å; A222-T224 PolarHBondContact O-N 2.85Å; A222-T225 WeakPolarHBondContact O-CB 3.49Å; A222-T225 PolarHBondContact O-N 3.25Å; A222-T225 PolarHBondContact O-OG1 3.4Å; A222-F268 HydrophobicContact CB-CD2 4.3Å; A222-F268 HydrophobicContact CB-CE2 3.4Å; A222-F268 VanDerWaalsContact CB-CE2 3.4Å; A222-F268 HydrophobicContact CB-CZ 4.12Å; A222-V272 HydrophobicContact CB-CG2 4.12Å
223V94.9Very high93.6Very high82 Ų8218 Ų1850%0.49711%0.108SC..Hα-helixtrans-66.2-34.9-177.4176.30000111.9I186 L219 P226I186-V223 HydrophobicContact CD1-CB 3.79Å; I186-V223 HydrophobicContact CD1-CG1 3.48Å; I186-V223 VanDerWaalsContact CD1-CG1 3.48Å; I186-V223 HydrophobicContact CD1-CG2 4.33Å; L219-V223 HydrophobicContact CD1-CG2 4.16Å; L219-V223 WeakPolarHBondContact O-CG2 3.43Å; L219-V223 PolarHBondContact O-N 3.04Å; V223-P226 WeakPolarHBondContact O-CD 3.48Å
224T95.2Very high94.1Very high2 Ų217.9 Ų17.91%0.01211%0.105CC..Hα-helixtrans-90.72.8-179.5620000114.2P182 F183 A220 A221 A222 L227 D228 R271P182-T224 HydrophobicContact CB-CG2 4.18Å; F183-T224 HydrophobicContact CB-CG2 3.96Å; F183-T224 HydrophobicContact CD2-CG2 4.46Å; A220-T224 WeakPolarHBondContact O-CB 3.38Å; A220-T224 WeakPolarHBondContact O-CG2 3.32Å; A220-T224 PolarHBondContact O-N 3.47Å; A220-T224 PolarHBondContact O-OG1 3.24Å; A221-T224 PolarHBondContact O-N 3.42Å; A221-T224 PolarHBondContact O-OG1 3.01Å; A222-T224 VanDerWaalsContact C-N 3.32Å; A222-T224 PolarHBondContact O-N 2.85Å; T224-L227 PolarHBondContact O-N 3.5Å; T224-D228 PolarHBondContact O-N 2.88Å; T224-R271 PolarHBondContact O-NH1 3.29Å; T224-R271 VanDerWaalsContact O-NH1 3.08Å; T224-R271 PolarHBondContact OG1-NH1 2.98Å; T224-R271 PolarHBondContact OG1-NH2 3.48Å
225T95.4Very high94.4Very high0 Ų017.1 Ų17.10%010%0.099CC..Hα-helixtrans-57.5-42.2177.5-64.10000112.7A221 A222 L227 D228 A229 F264 F268A221-T225 PolarHBondContact O-N 3.29Å; A221-T225 PolarHBondContact O-OG1 3.42Å; A222-T225 WeakPolarHBondContact O-CB 3.49Å; A222-T225 PolarHBondContact O-N 3.25Å; A222-T225 PolarHBondContact O-OG1 3.4Å; T225-L227 VanDerWaalsContact C-N 3.33Å; T225-L227 PolarHBondContact O-N 3.48Å; T225-D228 PolarHBondContact O-N 2.8Å; T225-D228 VanDerWaalsContact O-N 3.13Å; T225-A229 PolarHBondContact O-N 3.44Å; T225-F264 CarbonylContact C-O 3.52Å; T225-F268 HydrophobicContact CG2-CB 4.12Å
226P96.2Very high94.5Very high35 Ų3514.5 Ų14.523%0.2279%0.086CC..Hα-helixtrans-57.1-40.7176.4-28.737.9000114.4V223 A229 C230 F264 F265V223-P226 WeakPolarHBondContact O-CD 3.48Å; P226-A229 PolarHBondContact O-N 3.49Å; P226-C230 PolarHBondContact O-N 2.77Å; P226-C230 VanDerWaalsContact O-N 3.11Å; P226-C230 PolarHBondContact O-SG 2.71Å; P226-F264 WeakPolarHBondContact CA-O 3.22Å; P226-F264 HydrophobicContact CB-CB 3.99Å; P226-F264 HydrophobicContact CB-CD1 4.31Å; P226-F264 HydrophobicContact CG-CB 4.3Å; P226-F265 HydrophobicContact CG-CE1 4.18Å; P226-F265 HydrophobicContact CG-CZ 4.08Å
227L95.8Very high94.6Very high34 Ų3415.9 Ų15.918%0.1789%0.092CC..Hα-helixtrans-69.9-34.7178.3-69.3174.6000111.7L178 L179 T224 T225 C230 K231 L248L178-L227 HydrophobicContact CD2-CD2 4.25Å; L178-L227 HydrophobicContact CG-CD1 4.37Å; L178-L227 WeakPolarHBondContact O-CD1 3.39Å; L179-L227 HydrophobicContact CB-CB 4.1Å; L179-L227 HydrophobicContact CB-CD1 4.47Å; L179-L227 HydrophobicContact CD1-CB 4.28Å; L179-L227 HydrophobicContact CG-CB 4.33Å; T224-L227 PolarHBondContact O-N 3.5Å; T225-L227 VanDerWaalsContact C-N 3.33Å; T225-L227 PolarHBondContact O-N 3.48Å; L227-C230 WeakPolarHBondContact O-CB 2.83Å; L227-C230 PolarHBondContact O-N 2.86Å; L227-K231 PolarHBondContact O-N 3.02Å; L227-L248 HydrophobicContact CD2-CD1 4.04Å; L227-L248 HydrophobicContact CD2-CD2 4.01Å
228D95.3Very high94.5Very high11 Ų1118.4 Ų18.46%0.05910%0.104CC..Hα-helixtrans-71.9-35.6177-171.757.4000112.5Q48 L179 T224 T225 C230 K231 T232 R271Q48-D228 PolarHBondContact NE2-OD2 3.4Å; Q48-D228 PolarHBondContact OE1-OD2 2.98Å; L179-D228 HydrophobicContact CD1-CB 3.66Å; T224-D228 PolarHBondContact O-N 2.88Å; T225-D228 PolarHBondContact O-N 2.8Å; T225-D228 VanDerWaalsContact O-N 3.13Å; D228-C230 VanDerWaalsContact C-N 3.31Å; D228-C230 PolarHBondContact O-N 3.29Å; D228-K231 PolarHBondContact O-N 2.99Å; D228-T232 WeakPolarHBondContact O-CB 3.08Å; D228-T232 PolarHBondContact O-N 3.26Å; D228-T232 PolarHBondContact O-OG1 2.81Å; D228-R271 WeakPolarHBondContact OD2-CD 3.39Å; D228-R271 IonicContact OD2-NE 2.85Å; D228-R271 IonicContact OD2-NH1 3.29Å
229A95.7Very high94Very high2 Ų220 Ų202%0.01711%0.112CC..Hα-helixtrans-60.3-43.2168.800000110.9T225 P226 T232 A233 I255T225-A229 PolarHBondContact O-N 3.44Å; P226-A229 PolarHBondContact O-N 3.49Å; A229-T232 PolarHBondContact O-N 3.36Å; A229-A233 WeakPolarHBondContact O-CB 3.2Å; A229-A233 PolarHBondContact O-N 2.67Å; A229-I255 HydrophobicContact CB-CD1 4.37Å
230C96.2Very high93.2Very high2 Ų225.9 Ų25.91%0.01413%0.131CC..Hα-helixtrans-63.1-46.2175.3-65.20000112.5T175 P226 L227 D228 T232 A233 L234 L248 A251 I255T175-C230 HydrophobicContact CG2-CB 4.1Å; P226-C230 PolarHBondContact O-N 2.77Å; P226-C230 VanDerWaalsContact O-N 3.11Å; P226-C230 PolarHBondContact O-SG 2.71Å; L227-C230 WeakPolarHBondContact O-CB 2.83Å; L227-C230 PolarHBondContact O-N 2.86Å; D228-C230 VanDerWaalsContact C-N 3.31Å; D228-C230 PolarHBondContact O-N 3.29Å; C230-T232 VanDerWaalsContact C-N 3.32Å; C230-T232 PolarHBondContact O-N 3.13Å; C230-A233 PolarHBondContact O-N 3.42Å; C230-L234 WeakPolarHBondContact O-CG 3.16Å; C230-L234 PolarHBondContact O-N 3.46Å; C230-L248 HydrophobicContact CB-CD1 3.53Å; C230-A251 HydrophobicContact CB-CB 3.81Å; C230-I255 HydrophobicContact CB-CD1 4.35Å
231K95.6Very high92.4Very high18 Ų1827.3 Ų27.38%0.07814%0.14CC..Hα-helixtrans-54.9-49.1174.1179.5-169.2176.7179.20110.7E137 T175 Q176 L227 D228 L234 N235E137-K231 IonicContact OE2-NZ 3.84Å; T175-K231 HydrophobicContact CG2-CB 4.26Å; Q176-K231 HydrophobicContact CB-CD 4.49Å; L227-K231 PolarHBondContact O-N 3.02Å; D228-K231 PolarHBondContact O-N 2.99Å; K231-L234 PolarHBondContact O-N 2.88Å; K231-N235 PolarHBondContact O-N 3.35Å
232T95.7Very high91.6Very high0 Ų032.7 Ų32.70%018%0.175CC..Hα-helixtrans-65.9-39.6-178.1-62.70000112.1T45 Q48 D228 A229 C230 N235 T236T45-T232 HydrophobicContact CG2-CG2 4.15Å; Q48-T232 HydrophobicContact CB-CG2 3.73Å; Q48-T232 PolarHBondContact OE1-OG1 2.98Å; D228-T232 WeakPolarHBondContact O-CB 3.08Å; D228-T232 PolarHBondContact O-N 3.26Å; D228-T232 PolarHBondContact O-OG1 2.81Å; A229-T232 PolarHBondContact O-N 3.36Å; C230-T232 VanDerWaalsContact C-N 3.32Å; C230-T232 PolarHBondContact O-N 3.13Å; T232-N235 PolarHBondContact O-N 3.38Å; T232-T236 HydrophobicContact CG2-CG2 4.05Å; T232-T236 WeakPolarHBondContact O-CB 3.26Å; T232-T236 VanDerWaalsContact O-CG2 3.27Å; T232-T236 WeakPolarHBondContact O-CG2 3.34Å; T232-T236 PolarHBondContact O-N 3.38Å; T232-T236 PolarHBondContact O-OG1 3.26Å
233A95.5Very high90.7Very high1 Ų135.4 Ų35.41%0.00821%0.205CC..Hα-helixtrans-60.3-46.317300000111.6L50 A229 C230 N235 T236 Q237 M245 I255L50-A233 HydrophobicContact CD1-CB 4.06Å; L50-A233 HydrophobicContact CG-CB 4.38Å; A229-A233 WeakPolarHBondContact O-CB 3.2Å; A229-A233 PolarHBondContact O-N 2.67Å; C230-A233 PolarHBondContact O-N 3.42Å; A233-N235 VanDerWaalsContact C-N 3.35Å; A233-N235 PolarHBondContact O-N 2.88Å; A233-T236 PolarHBondContact O-N 3.49Å; A233-Q237 PolarHBondContact O-N 3.32Å; A233-M245 HydrophobicContact CB-CE 4.2Å; A233-M245 HydrophobicContact CB-SD 4.35Å; A233-M245 WeakPolarHBondContact O-CE 3.37Å; A233-I255 HydrophobicContact CB-CD1 3.96Å; A233-I255 HydrophobicContact CB-CG1 4.09Å
234L95.6Very high90.2Very high1 Ų132.5 Ų32.51%0.00519%0.191CC..Hα-helixtrans-63.3-36.3179.3-73.5168.2000113.5C230 K231 Q237 M245 G247 A251C230-L234 WeakPolarHBondContact O-CG 3.16Å; C230-L234 PolarHBondContact O-N 3.46Å; K231-L234 PolarHBondContact O-N 2.88Å; L234-Q237 WeakPolarHBondContact O-CG 3.21Å; L234-Q237 PolarHBondContact O-NE2 3.43Å; L234-M245 HydrophobicContact CD2-CB 3.78Å; L234-M245 WeakPolarHBondContact CD2-O 3.29Å; L234-G247 WeakPolarHBondContact CD2-O 3.31Å; L234-A251 HydrophobicContact CD1-CB 4.07Å; L234-A251 HydrophobicContact CD2-CB 4.17Å; L234-A251 HydrophobicContact CG-CB 3.81Å
235N95.6Very high90.1Very high1 Ų132.5 Ų32.51%0.00519%0.191CC..Hα-helixtrans-78.8-39.6-179.5-77.7-15000112.8V138 Q141 R142 S172 K231 T232 A233V138-N235 HydrophobicContact CG2-CB 4.34Å; V138-N235 WeakPolarHBondContact CG2-OD1 3.27Å; Q141-N235 HydrophobicContact CB-CB 4.31Å; Q141-N235 PolarHBondContact OE1-ND2 2.91Å; R142-N235 WeakPolarHBondContact CG-O 3.35Å; R142-N235 PolarHBondContact NE-O 2.71Å; S172-N235 WeakPolarHBondContact CB-OD1 3.39Å; S172-N235 PolarHBondContact OG-OD1 3.5Å; K231-N235 PolarHBondContact O-N 3.35Å; T232-N235 PolarHBondContact O-N 3.38Å; A233-N235 VanDerWaalsContact C-N 3.35Å; A233-N235 PolarHBondContact O-N 2.88Å
236T94.4Very high89.8Confident9 Ų937.6 Ų37.66%0.05522%0.219CC..Hα-helixtrans-81.6-29.4-17459.40000113.5T45 Q141 V145 T232 A233 Q238T45-T236 HydrophobicContact CG2-CG2 4.35Å; Q141-T236 HydrophobicContact CB-CG2 3.87Å; V145-T236 HydrophobicContact CG1-CG2 3.56Å; T232-T236 HydrophobicContact CG2-CG2 4.05Å; T232-T236 WeakPolarHBondContact O-CB 3.26Å; T232-T236 VanDerWaalsContact O-CG2 3.27Å; T232-T236 WeakPolarHBondContact O-CG2 3.34Å; T232-T236 PolarHBondContact O-N 3.38Å; T232-T236 PolarHBondContact O-OG1 3.26Å; A233-T236 PolarHBondContact O-N 3.49Å; T236-Q238 PolarHBondContact O-N 2.87Å; T236-Q238 VanDerWaalsContact O-N 3.12Å
237Q93Very high89.6Confident30 Ų3036.5 Ų36.514%0.1421%0.214CC..  trans48.339.9176.1-62.7-73.1-33.500113.8A233 L234 M245A233-Q237 PolarHBondContact O-N 3.32Å; L234-Q237 WeakPolarHBondContact O-CG 3.21Å; L234-Q237 PolarHBondContact O-NE2 3.43Å; Q237-M245 PolarHBondContact NE2-O 2.87Å
238Q87.6Confident89.5Confident53 Ų5337.1 Ų37.125%0.24822%0.217CC..  trans-80.2-16.7-174.4-67.5-168-52.400114.8S49 C51 V145 T236S49-Q238 PolarHBondContact OG-OE1 2.96Å; S49-Q238 VanDerWaalsContact OG-OE1 3.06Å; C51-Q238 HydrophobicContact CB-CB 4.2Å; C51-Q238 HydrophobicContact CB-CG 4.39Å; C51-Q238 VanDerWaalsContact CB-NE2 3.32Å; V145-Q238 VanDerWaalsContact CB-NE2 3.25Å; V145-Q238 HydrophobicContact CG1-CG 4.25Å; T236-Q238 PolarHBondContact O-N 2.87Å; T236-Q238 VanDerWaalsContact O-N 3.12Å
239V81.6Confident89.5Confident38 Ų3845.8 Ų45.823%0.2325%0.249CC..SBendtrans-94.6128.4175.1179.70000107.6L50 C241 V254L50-V239 HydrophobicContact CB-CG2 3.53Å; L50-V239 HydrophobicContact CD1-CB 4.46Å; L50-V239 HydrophobicContact CD1-CG2 3.62Å; L50-V239 HydrophobicContact CG-CG2 4.23Å; V239-C241 PolarHBondContact O-N 3.29Å; V239-V254 HydrophobicContact CB-CG1 4.2Å; V239-V254 HydrophobicContact CG1-CG1 4.14Å; V239-V254 HydrophobicContact CG2-CG1 4.37Å
240Y77.9Confident89.4Confident205 Ų20547.9 Ų47.980%0.80426%0.26SS*.  trans-64.6109.3171.6-179.9-100.2000108.9P242Y240-P242 HydrophobicContact CE1-CG 4.47Å
241C76.3Confident89.3Confident29 Ų2947.8 Ų47.820%0.19626%0.259CS..  trans-119.1130.4168.2-64.80000107.1V239 G243 G244 M245V239-C241 PolarHBondContact O-N 3.29Å; C241-G243 PolarHBondContact O-N 3.44Å; C241-G243 VanDerWaalsContact O-N 3.09Å; C241-G244 PolarHBondContact O-N 2.97Å; C241-M245 HydrophobicContact CB-CG 4.44Å
242P75.6Confident89.4Confident114 Ų11449.9 Ų49.974%0.7427%0.273SS*.THydrogen-bonded Turntrans-52.9119.5173-23.832.9000110.1Y240 G244Y240-P242 HydrophobicContact CE1-CG 4.47Å; P242-G244 VanDerWaalsContact C-N 3.3Å; P242-G244 PolarHBondContact O-N 2.97Å
243G76.2Confident89.4Confident77 Ų7756.4 Ų56.479%0.79430%0.298SS*.THydrogen-bonded Turntrans81.3-3-176.100000116.2C241C241-G243 PolarHBondContact O-N 3.44Å; C241-G243 VanDerWaalsContact O-N 3.09Å
244G84.9Confident89.3Confident20 Ų2057.3 Ų57.321%0.20630%0.303CS..  trans75160.4-174.100000113C241 P242 N246C241-G244 PolarHBondContact O-N 2.97Å; P242-G244 VanDerWaalsContact C-N 3.3Å; P242-G244 PolarHBondContact O-N 2.97Å; G244-N246 PolarHBondContact O-N 3.07Å
245M91.3Very high89.3Confident2 Ų257.4 Ų57.41%0.0130%0.304CS..  trans-72.2126.1173.2-66.6176.5-77.200109.5L50 R171 A233 L234 Q237 C241 D250 V254L50-M245 HydrophobicContact CD1-CE 4.45Å; L50-M245 HydrophobicContact CD1-SD 4.49Å; R171-M245 WeakPolarHBondContact CD-O 3.24Å; A233-M245 HydrophobicContact CB-CE 4.2Å; A233-M245 HydrophobicContact CB-SD 4.35Å; A233-M245 WeakPolarHBondContact O-CE 3.37Å; L234-M245 HydrophobicContact CD2-CB 3.78Å; L234-M245 WeakPolarHBondContact CD2-O 3.29Å; Q237-M245 PolarHBondContact NE2-O 2.87Å; C241-M245 HydrophobicContact CB-CG 4.44Å; M245-D250 HydrophobicContact CB-CB 4.24Å; M245-V254 HydrophobicContact CG-CB 4.33Å; M245-V254 HydrophobicContact CG-CG2 3.89Å; M245-V254 HydrophobicContact SD-CB 3.68Å; M245-V254 HydrophobicContact SD-CG1 3.71Å; M245-V254 HydrophobicContact SD-CG2 3.93Å
246N89.1Confident89.3Confident108 Ų10863.8 Ų63.858%0.57833%0.329SS*.  trans-123.3106.6179.5-164.114.9000112.2G244 D250G244-N246 PolarHBondContact O-N 3.07Å; N246-D250 PolarHBondContact N-OD2 2.97Å; N246-D250 VanDerWaalsContact N-OD2 3.17Å
247G92Very high89.3Confident12 Ų1267.4 Ų67.412%0.12436%0.359CS..SBendtrans79.4176.2179.400000114.9L234 R249 D250 A251L234-G247 WeakPolarHBondContact CD2-O 3.31Å; G247-R249 PolarHBondContact O-N 3.42Å; G247-D250 PolarHBondContact O-N 2.86Å; G247-A251 PolarHBondContact O-N 3.2Å
248L94.2Very high89.3Confident46 Ų4669.1 Ų69.124%0.24137%0.374CS..Hα-helixtrans-60.9-39.6-167.1-178.857.2000113.9T175 L178 L227 C230 D250 A251 V252T175-L248 HydrophobicContact CG2-CD1 3.92Å; L178-L248 HydrophobicContact CD2-CD2 3.6Å; L227-L248 HydrophobicContact CD2-CD1 4.04Å; L227-L248 HydrophobicContact CD2-CD2 4.01Å; C230-L248 HydrophobicContact CB-CD1 3.53Å; L248-D250 PolarHBondContact O-N 3.11Å; L248-A251 WeakPolarHBondContact O-CB 3.09Å; L248-A251 PolarHBondContact O-N 2.76Å; L248-V252 HydrophobicContact CD1-CG2 4.04Å; L248-V252 HydrophobicContact CG-CG2 4.31Å; L248-V252 WeakPolarHBondContact O-CG2 3.4Å; L248-V252 PolarHBondContact O-N 3.18Å
249R94.7Very high89.5Confident193 Ų19369.3 Ų69.373%0.72837%0.372SS*.Hα-helixtrans-61.7-43.8-177.1-175.5-176.9-178.8-167.71.8112G247 V252 R253G247-R249 PolarHBondContact O-N 3.42Å; R249-V252 PolarHBondContact O-N 2.91Å; R249-R253 PolarHBondContact O-N 2.85Å
250D94.1Very high90.1Very high46 Ų4668.8 Ų68.825%0.24637%0.374CS..Hα-helixtrans-67.8-41.7178.3-73.8-12.8000110.7M245 N246 G247 L248 V252 R253 V254M245-D250 HydrophobicContact CB-CB 4.24Å; N246-D250 PolarHBondContact N-OD2 2.97Å; N246-D250 VanDerWaalsContact N-OD2 3.17Å; G247-D250 PolarHBondContact O-N 2.86Å; L248-D250 PolarHBondContact O-N 3.11Å; D250-V252 VanDerWaalsContact C-N 3.35Å; D250-V252 PolarHBondContact O-N 2.98Å; D250-R253 PolarHBondContact O-N 3.31Å; D250-R253 IonicContact OD1-NH1 2.81Å; D250-R253 PolarHBondContact OD1-NH1 3.43Å; D250-V254 WeakPolarHBondContact O-CB 3.49Å; D250-V254 WeakPolarHBondContact O-CG2 3.16Å; D250-V254 PolarHBondContact O-N 3.4Å
251A95.3Very high90.9Very high0 Ų064.8 Ų64.80%037%0.366CS..Hα-helixtrans-57.5-47.3175.300000111.8C230 L234 G247 L248 R253 V254 I255C230-A251 HydrophobicContact CB-CB 3.81Å; L234-A251 HydrophobicContact CD1-CB 4.07Å; L234-A251 HydrophobicContact CD2-CB 4.17Å; L234-A251 HydrophobicContact CG-CB 3.81Å; G247-A251 PolarHBondContact O-N 3.2Å; L248-A251 WeakPolarHBondContact O-CB 3.09Å; L248-A251 PolarHBondContact O-N 2.76Å; A251-R253 PolarHBondContact O-N 2.88Å; A251-V254 PolarHBondContact O-N 2.79Å; A251-I255 WeakPolarHBondContact O-CB 3.4Å; A251-I255 WeakPolarHBondContact O-CD1 3.37Å; A251-I255 WeakPolarHBondContact O-CG1 3.23Å; A251-I255 PolarHBondContact O-N 3.29Å
252V96.4Very high91.7Very high63 Ų6370.5 Ų70.538%0.38239%0.394SS..Hα-helixtrans-59.7-48.2176.7169.80000111L248 R249 D250 V254 Y256 F264L248-V252 HydrophobicContact CD1-CG2 4.04Å; L248-V252 HydrophobicContact CG-CG2 4.31Å; L248-V252 WeakPolarHBondContact O-CG2 3.4Å; L248-V252 PolarHBondContact O-N 3.18Å; R249-V252 PolarHBondContact O-N 2.91Å; D250-V252 VanDerWaalsContact C-N 3.35Å; D250-V252 PolarHBondContact O-N 2.98Å; V252-V254 PolarHBondContact O-N 2.97Å; V252-Y256 VanDerWaalsContact O-CB 3.27Å; V252-Y256 WeakPolarHBondContact O-CB 3.36Å; V252-Y256 PolarHBondContact O-N 2.88Å; V252-F264 HydrophobicContact CB-CE1 4.34Å; V252-F264 HydrophobicContact CB-CZ 4.32Å; V252-F264 HydrophobicContact CG1-CE1 4.34Å; V252-F264 HydrophobicContact CG1-CZ 3.94Å; V252-F264 HydrophobicContact CG2-CE1 4.12Å; V252-F264 WeakPolarHBondContact O-CZ 3.18Å
253R95.6Very high92.4Very high137 Ų13765.2 Ų65.252%0.51736%0.361SS..Hα-helixtrans-59.6-47.9179.8-176-171.1-69.3138.4-5.3111.5R249 D250 A251 A257R249-R253 PolarHBondContact O-N 2.85Å; D250-R253 PolarHBondContact O-N 3.31Å; D250-R253 IonicContact OD1-NH1 2.81Å; D250-R253 PolarHBondContact OD1-NH1 3.43Å; A251-R253 PolarHBondContact O-N 2.88Å; R253-A257 WeakPolarHBondContact O-CB 3.23Å; R253-A257 PolarHBondContact O-N 2.84Å
254V94.7Very high93.3Very high20 Ų2062.6 Ų62.612%0.12133%0.327CS..Hα-helixtrans-71.2-42.9-175.6175.80000111.2L50 V239 M245 D250 A251 V252 Y256 A257 C258L50-V254 HydrophobicContact CD1-CG1 3.73Å; V239-V254 HydrophobicContact CB-CG1 4.2Å; V239-V254 HydrophobicContact CG1-CG1 4.14Å; V239-V254 HydrophobicContact CG2-CG1 4.37Å; M245-V254 HydrophobicContact CG-CB 4.33Å; M245-V254 HydrophobicContact CG-CG2 3.89Å; M245-V254 HydrophobicContact SD-CB 3.68Å; M245-V254 HydrophobicContact SD-CG1 3.71Å; M245-V254 HydrophobicContact SD-CG2 3.93Å; D250-V254 WeakPolarHBondContact O-CB 3.49Å; D250-V254 WeakPolarHBondContact O-CG2 3.16Å; D250-V254 PolarHBondContact O-N 3.4Å; A251-V254 PolarHBondContact O-N 2.79Å; V252-V254 PolarHBondContact O-N 2.97Å; V254-Y256 VanDerWaalsContact C-N 3.33Å; V254-Y256 PolarHBondContact O-N 3.33Å; V254-A257 PolarHBondContact O-N 2.92Å; V254-C258 WeakPolarHBondContact O-CB 3.46Å; V254-C258 PolarHBondContact O-N 3.47Å; V254-C258 PolarHBondContact O-SG 2.97Å; V254-C258 VanDerWaalsContact O-SG 3.32Å
255I95Very high93.8Very high3 Ų366.6 Ų66.62%0.01534%0.339CS..Hα-helixtrans-59.4-47.3175.5-69.2165.2000110.3L50 A229 C230 A233 A251 A257 C258 R259 F264L50-I255 HydrophobicContact CD1-CG1 4.37Å; L50-I255 HydrophobicContact CD2-CG1 4.06Å; A229-I255 HydrophobicContact CB-CD1 4.37Å; C230-I255 HydrophobicContact CB-CD1 4.35Å; A233-I255 HydrophobicContact CB-CD1 3.96Å; A233-I255 HydrophobicContact CB-CG1 4.09Å; A251-I255 WeakPolarHBondContact O-CB 3.4Å; A251-I255 WeakPolarHBondContact O-CD1 3.37Å; A251-I255 WeakPolarHBondContact O-CG1 3.23Å; A251-I255 PolarHBondContact O-N 3.29Å; I255-A257 VanDerWaalsContact C-N 3.34Å; I255-A257 PolarHBondContact O-N 2.92Å; I255-C258 PolarHBondContact O-N 3.45Å; I255-R259 PolarHBondContact O-N 2.9Å; I255-F264 HydrophobicContact CB-CE1 3.95Å; I255-F264 HydrophobicContact CB-CE2 4.5Å; I255-F264 HydrophobicContact CB-CZ 3.94Å; I255-F264 HydrophobicContact CD1-CD1 4.36Å; I255-F264 HydrophobicContact CD1-CE1 4.11Å; I255-F264 HydrophobicContact CG2-CD1 3.93Å; I255-F264 HydrophobicContact CG2-CD2 4.06Å; I255-F264 HydrophobicContact CG2-CE1 3.8Å; I255-F264 HydrophobicContact CG2-CE2 3.92Å; I255-F264 HydrophobicContact CG2-CG 4.06Å; I255-F264 HydrophobicContact CG2-CZ 3.79Å
256Y95.8Very high93.7Very high135 Ų13567.4 Ų67.453%0.52935%0.345SS..Hα-helixtrans-61.4-43.2178.5-175-96.2000111.7V252 V254 C258 G260 L261 F264V252-Y256 VanDerWaalsContact O-CB 3.27Å; V252-Y256 WeakPolarHBondContact O-CB 3.36Å; V252-Y256 PolarHBondContact O-N 2.88Å; V254-Y256 VanDerWaalsContact C-N 3.33Å; V254-Y256 PolarHBondContact O-N 3.33Å; Y256-C258 PolarHBondContact O-N 3.42Å; Y256-G260 WeakPolarHBondContact O-CA 3.11Å; Y256-G260 PolarHBondContact O-N 3.04Å; Y256-L261 HydrophobicContact CD2-CD2 3.94Å; Y256-L261 HydrophobicContact CD2-CG 4.31Å; Y256-L261 HydrophobicContact CE2-CD2 3.72Å; Y256-L261 HydrophobicContact CE2-CG 3.84Å; Y256-F264 HydrophobicContact CD2-CE2 4.4Å
257A94.1Very high93.7Very high84 Ų8462.8 Ų62.869%0.69432%0.323SS*.Hα-helixtrans-65.4-36.5177.500000113.1R253 V254 I255R253-A257 WeakPolarHBondContact O-CB 3.23Å; R253-A257 PolarHBondContact O-N 2.84Å; V254-A257 PolarHBondContact O-N 2.92Å; I255-A257 VanDerWaalsContact C-N 3.34Å; I255-A257 PolarHBondContact O-N 2.92Å
258C92.2Very high93.7Very high66 Ų6665.9 Ų65.945%0.44633%0.333SS..Hα-helixtrans-85-33.5-177.2-68.10000114.1L50 V254 I255 Y256L50-C258 HydrophobicContact CD2-CB 4.25Å; V254-C258 WeakPolarHBondContact O-CB 3.46Å; V254-C258 PolarHBondContact O-N 3.47Å; V254-C258 PolarHBondContact O-SG 2.97Å; V254-C258 VanDerWaalsContact O-SG 3.32Å; I255-C258 PolarHBondContact O-N 3.45Å; Y256-C258 PolarHBondContact O-N 3.42Å
259R92.1Very high93.6Very high58 Ų5868.4 Ų68.422%0.21934%0.344CS..Hα-helixtrans-1381-169.2-66.4-169.1177176.34.6115.1V47 S49 L50 C51 I255 G263 S266V47-R259 PolarHBondContact O-NH1 3.48Å; S49-R259 VanDerWaalsContact O-CZ 3.3Å; S49-R259 PolarHBondContact O-NH1 2.72Å; S49-R259 PolarHBondContact O-NH2 3.27Å; L50-R259 VanDerWaalsContact C-NH2 3.29Å; L50-R259 HydrophobicContact CD2-CG 4.45Å; L50-R259 PolarHBondContact O-NH2 3.35Å; L50-R259 VanDerWaalsContact O-NH2 3.1Å; C51-R259 PolarHBondContact O-NH2 3.46Å; I255-R259 PolarHBondContact O-N 2.9Å; R259-G263 PolarHBondContact O-N 3.22Å; R259-S266 PolarHBondContact NH1-OG 3.2Å
260G93.9Very high93.3Very high26 Ų2659.7 Ų59.727%0.26831%0.313SS..THydrogen-bonded Turntrans62.3-160-174.400000113.2Y256 L262 G263Y256-G260 WeakPolarHBondContact O-CA 3.11Å; Y256-G260 PolarHBondContact O-N 3.04Å; G260-L262 PolarHBondContact O-N 3.32Å; G260-G263 PolarHBondContact O-N 2.89Å
261L94.6Very high93.2Very high122 Ų12259.2 Ų59.264%0.63931%0.308SS*.G310 helixtrans-65.6-34.8-176.6-67.7173.1000113.5Y256 G263 F264Y256-L261 HydrophobicContact CD2-CD2 3.94Å; Y256-L261 HydrophobicContact CD2-CG 4.31Å; Y256-L261 HydrophobicContact CE2-CD2 3.72Å; Y256-L261 HydrophobicContact CE2-CG 3.84Å; L261-G263 PolarHBondContact O-N 3.49Å; L261-F264 WeakPolarHBondContact O-CD2 3.4Å; L261-F264 PolarHBondContact O-N 2.94Å
262L93.1Very high93Very high148 Ų14861.2 Ų61.278%0.77532%0.32SS*.G310 helixtrans-68.5-21.5178.3-63.9179.2000112.2G260 F264 F265G260-L262 PolarHBondContact O-N 3.32Å; L262-F264 PolarHBondContact O-N 3Å; L262-F265 PolarHBondContact O-N 3.32Å
263G91.9Very high92.6Very high4 Ų463.2 Ų63.24%0.04133%0.328CS..G310 helixtrans-54-37.8174.200000113.3R259 G260 L261 F265 S266R259-G263 PolarHBondContact O-N 3.22Å; G260-G263 PolarHBondContact O-N 2.89Å; L261-G263 PolarHBondContact O-N 3.49Å; G263-F265 PolarHBondContact O-N 3.48Å; G263-S266 VanDerWaalsContact O-CB 3.28Å; G263-S266 WeakPolarHBondContact O-CB 3.34Å; G263-S266 PolarHBondContact O-N 3.49Å; G263-S266 VanDerWaalsContact O-N 3.16Å; G263-S266 PolarHBondContact O-OG 2.99Å
264F95.2Very high92.1Very high22 Ų2258.6 Ų58.610%0.09631%0.312CS..G310 helixtrans-67.6-20.8179.6-66.4-80.1000113.9T225 P226 V252 I255 Y256 L261 L262T225-F264 CarbonylContact C-O 3.52Å; P226-F264 WeakPolarHBondContact CA-O 3.22Å; P226-F264 HydrophobicContact CB-CB 3.99Å; P226-F264 HydrophobicContact CB-CD1 4.31Å; P226-F264 HydrophobicContact CG-CB 4.3Å; V252-F264 HydrophobicContact CB-CE1 4.34Å; V252-F264 HydrophobicContact CB-CZ 4.32Å; V252-F264 HydrophobicContact CG1-CE1 4.34Å; V252-F264 HydrophobicContact CG1-CZ 3.94Å; V252-F264 HydrophobicContact CG2-CE1 4.12Å; V252-F264 WeakPolarHBondContact O-CZ 3.18Å; I255-F264 HydrophobicContact CB-CE1 3.95Å; I255-F264 HydrophobicContact CB-CE2 4.5Å; I255-F264 HydrophobicContact CB-CZ 3.94Å; I255-F264 HydrophobicContact CD1-CD1 4.36Å; I255-F264 HydrophobicContact CD1-CE1 4.11Å; I255-F264 HydrophobicContact CG2-CD1 3.93Å; I255-F264 HydrophobicContact CG2-CD2 4.06Å; I255-F264 HydrophobicContact CG2-CE1 3.8Å; I255-F264 HydrophobicContact CG2-CE2 3.92Å; I255-F264 HydrophobicContact CG2-CG 4.06Å; I255-F264 HydrophobicContact CG2-CZ 3.79Å; Y256-F264 HydrophobicContact CD2-CE2 4.4Å; L261-F264 WeakPolarHBondContact O-CD2 3.4Å; L261-F264 PolarHBondContact O-N 2.94Å; L262-F264 PolarHBondContact O-N 3Å
265F94.4Very high91.5Very high103 Ų10359.1 Ų59.145%0.45231%0.313SS..G310 helixtrans-99.710.8177.8-64.8-86.4000112.5P226 L262 G263 G267 F268P226-F265 HydrophobicContact CG-CE1 4.18Å; P226-F265 HydrophobicContact CG-CZ 4.08Å; L262-F265 PolarHBondContact O-N 3.32Å; G263-F265 PolarHBondContact O-N 3.48Å; F265-G267 PolarHBondContact O-N 2.9Å; F265-F268 HydrophobicContact CB-CB 4.45Å; F265-F268 HydrophobicContact CD1-CD2 4.36Å; F265-F268 WeakPolarHBondContact O-CB 3.44Å; F265-F268 PolarHBondContact O-N 3.17Å; F265-F268 VanDerWaalsContact O-N 3.07Å
266S90Very high90.9Very high20 Ų2063.5 Ų63.514%0.1433%0.334CS..THydrogen-bonded Turntrans-57.1130.8172.2-58.90000109.9Q48 R259 G263 F268Q48-S266 WeakPolarHBondContact CG-O 3.12Å; Q48-S266 PolarHBondContact NE2-O 2.67Å; R259-S266 PolarHBondContact NH1-OG 3.2Å; G263-S266 VanDerWaalsContact O-CB 3.28Å; G263-S266 WeakPolarHBondContact O-CB 3.34Å; G263-S266 PolarHBondContact O-N 3.49Å; G263-S266 VanDerWaalsContact O-N 3.16Å; G263-S266 PolarHBondContact O-OG 2.99Å; S266-F268 PolarHBondContact O-N 3.11Å
267G87.8Confident90.4Very high11 Ų1159.5 Ų59.511%0.11333%0.325CS..THydrogen-bonded Turntrans76.63.9-179.200000115.1F265 Q269 A270 R271F265-G267 PolarHBondContact O-N 2.9Å; G267-Q269 VanDerWaalsContact C-N 3.3Å; G267-Q269 PolarHBondContact O-N 3.11Å; G267-A270 WeakPolarHBondContact O-CB 3.38Å; G267-A270 PolarHBondContact O-N 2.68Å; G267-R271 PolarHBondContact O-N 3.37Å
268F92.3Very high89.9Confident76 Ų7656.4 Ų56.433%0.33330%0.298SS..Hα-helixtrans-46.9-49.7176.4169-94.8000113A222 T225 F265 S266 A270 R271 V272A222-F268 HydrophobicContact CB-CD2 4.3Å; A222-F268 HydrophobicContact CB-CE2 3.4Å; A222-F268 VanDerWaalsContact CB-CE2 3.4Å; A222-F268 HydrophobicContact CB-CZ 4.12Å; T225-F268 HydrophobicContact CG2-CB 4.12Å; F265-F268 HydrophobicContact CB-CB 4.45Å; F265-F268 HydrophobicContact CD1-CD2 4.36Å; F265-F268 WeakPolarHBondContact O-CB 3.44Å; F265-F268 PolarHBondContact O-N 3.17Å; F265-F268 VanDerWaalsContact O-N 3.07Å; S266-F268 PolarHBondContact O-N 3.11Å; F268-A270 VanDerWaalsContact C-N 3.29Å; F268-A270 PolarHBondContact O-N 3.43Å; F268-R271 PolarHBondContact O-N 3.45Å; F268-V272 HydrophobicContact CD1-CG2 4.47Å; F268-V272 HydrophobicContact CD2-CG2 4.09Å; F268-V272 HydrophobicContact CE1-CG2 4.09Å; F268-V272 HydrophobicContact CE2-CG2 3.73Å; F268-V272 HydrophobicContact CG-CG2 4.46Å; F268-V272 HydrophobicContact CZ-CG2 3.7Å; F268-V272 PolarHBondContact O-N 2.94Å
269Q91.6Very high89.2Confident99 Ų9955.3 Ų55.346%0.46329%0.289SS..Hα-helixtrans-60.1-39.4-178.4-71.4-177.3-16.100112.5R59 P61 G267 R271 L273R59-Q269 PolarHBondContact O-OE1 3.27Å; P61-Q269 HydrophobicContact CG-CB 4.23Å; G267-Q269 VanDerWaalsContact C-N 3.3Å; G267-Q269 PolarHBondContact O-N 3.11Å; Q269-R271 VanDerWaalsContact C-N 3.32Å; Q269-L273 HydrophobicContact CB-CD1 4.4Å; Q269-L273 VanDerWaalsContact O-CB 3.27Å; Q269-L273 WeakPolarHBondContact O-CB 3.43Å; Q269-L273 VanDerWaalsContact O-CG 3.29Å; Q269-L273 WeakPolarHBondContact O-CG 3.34Å; Q269-L273 PolarHBondContact O-N 3.37Å
270A90.2Very high88.7Confident10 Ų1054.4 Ų54.48%0.08329%0.294CS..Hα-helixtrans-64.6-40.8177.100000110.7K44 P61 G267 F268 F274K44-A270 HydrophobicContact CB-CB 3.97Å; K44-A270 HydrophobicContact CG-CB 4.19Å; P61-A270 HydrophobicContact CB-CB 4.01Å; P61-A270 HydrophobicContact CG-CB 3.72Å; G267-A270 WeakPolarHBondContact O-CB 3.38Å; G267-A270 PolarHBondContact O-N 2.68Å; F268-A270 VanDerWaalsContact C-N 3.29Å; F268-A270 PolarHBondContact O-N 3.43Å; A270-F274 HydrophobicContact CB-CD2 4.49Å; A270-F274 WeakPolarHBondContact O-CD2 3.34Å; A270-F274 PolarHBondContact O-N 2.91Å
271R90.5Very high88Confident36 Ų3655 Ų5514%0.13629%0.292CS..Hα-helixtrans-66.8-41.1179.4-69.9-158.569.8-173.1-6.6113.3K44 A221 T224 D228 G267 F268 Q269K44-R271 HydrophobicContact CD-CG 3.86Å; A221-R271 HydrophobicContact CB-CB 4.12Å; T224-R271 PolarHBondContact O-NH1 3.29Å; T224-R271 VanDerWaalsContact O-NH1 3.08Å; T224-R271 PolarHBondContact OG1-NH1 2.98Å; T224-R271 PolarHBondContact OG1-NH2 3.48Å; D228-R271 WeakPolarHBondContact OD2-CD 3.39Å; D228-R271 IonicContact OD2-NE 2.85Å; D228-R271 IonicContact OD2-NH1 3.29Å; G267-R271 PolarHBondContact O-N 3.37Å; F268-R271 PolarHBondContact O-N 3.45Å; Q269-R271 VanDerWaalsContact C-N 3.32Å
272V91.2Very high87.4Confident43 Ų4350.8 Ų50.826%0.26127%0.271SS..Hα-helixtrans-78-47.9-176.5178.40000111.8A222 F268 F274 Q275A222-V272 HydrophobicContact CB-CG2 4.12Å; F268-V272 HydrophobicContact CD1-CG2 4.47Å; F268-V272 HydrophobicContact CD2-CG2 4.09Å; F268-V272 HydrophobicContact CE1-CG2 4.09Å; F268-V272 HydrophobicContact CE2-CG2 3.73Å; F268-V272 HydrophobicContact CG-CG2 4.46Å; F268-V272 HydrophobicContact CZ-CG2 3.7Å; F268-V272 PolarHBondContact O-N 2.94Å; V272-F274 VanDerWaalsContact C-N 3.31Å; V272-F274 PolarHBondContact O-N 2.92Å; V272-Q275 PolarHBondContact O-N 3.48Å
273L88.7Confident86.6Confident105 Ų10549 Ų4955%0.5526%0.255SS..Hα-helixtrans-67.9-30.8-172.3-70172.8000113.3Q269Q269-L273 HydrophobicContact CB-CD1 4.4Å; Q269-L273 VanDerWaalsContact O-CB 3.27Å; Q269-L273 WeakPolarHBondContact O-CB 3.43Å; Q269-L273 VanDerWaalsContact O-CG 3.29Å; Q269-L273 WeakPolarHBondContact O-CG 3.34Å; Q269-L273 PolarHBondContact O-N 3.37Å
274F84.1Confident85.9Confident40 Ų4052.7 Ų52.718%0.17528%0.28CS..THydrogen-bonded Turntrans-93-0.9-175.5-64.3-62.5000114.2F37 L40 P61 V62 A270 V272 M276 P277 T278F37-F274 HydrophobicContact CD1-CB 4.45Å; F37-F274 HydrophobicContact CE1-CB 4.48Å; L40-F274 HydrophobicContact CB-CD2 4.45Å; L40-F274 HydrophobicContact CB-CE2 4.43Å; L40-F274 HydrophobicContact CD1-CD1 3.56Å; L40-F274 HydrophobicContact CD1-CD2 3.92Å; L40-F274 HydrophobicContact CD1-CE1 3.4Å; L40-F274 HydrophobicContact CD1-CE2 3.8Å; L40-F274 HydrophobicContact CD1-CG 3.84Å; L40-F274 HydrophobicContact CD1-CZ 3.53Å; L40-F274 HydrophobicContact CD2-CE1 4.32Å; L40-F274 HydrophobicContact CD2-CE2 3.74Å; L40-F274 HydrophobicContact CD2-CZ 3.61Å; L40-F274 HydrophobicContact CG-CE1 4.48Å; L40-F274 HydrophobicContact CG-CE2 4.2Å; L40-F274 HydrophobicContact CG-CZ 4.17Å; P61-F274 HydrophobicContact CB-CE2 3.77Å; P61-F274 HydrophobicContact CB-CZ 4.42Å; P61-F274 HydrophobicContact CG-CE2 4.04Å; V62-F274 HydrophobicContact CG2-CZ 3.9Å; A270-F274 HydrophobicContact CB-CD2 4.49Å; A270-F274 WeakPolarHBondContact O-CD2 3.34Å; A270-F274 PolarHBondContact O-N 2.91Å; V272-F274 VanDerWaalsContact C-N 3.31Å; V272-F274 PolarHBondContact O-N 2.92Å; F274-M276 PolarHBondContact O-N 2.98Å; F274-P277 HydrophobicContact CD1-CG 4.48Å; F274-P277 WeakPolarHBondContact O-CD 3.23Å; F274-T278 VanDerWaalsContact O-CB 3.24Å; F274-T278 WeakPolarHBondContact O-CB 3.38Å; F274-T278 PolarHBondContact O-N 3.32Å; F274-T278 PolarHBondContact O-OG1 3.38Å
275Q83.7Confident85.2Confident30 Ų3052.7 Ų52.714%0.1428%0.281CS..Hα-helixtrans-61.3-45.2178.9-173.363.146.200112.9V272 T278 T279V272-Q275 PolarHBondContact O-N 3.48Å; Q275-T278 PolarHBondContact O-N 2.79Å; Q275-T279 PolarHBondContact NE2-OG1 3.38Å; Q275-T279 PolarHBondContact O-N 3.43Å; Q275-T279 PolarHBondContact O-OG1 2.87Å; Q275-T279 VanDerWaalsContact O-OG1 3.13Å
276M81.2Confident84.4Confident95 Ų9549.1 Ų49.147%0.46827%0.265SS..Hα-helixtrans-64.3-52-179.8178.6-166.4177.100112.3V210 A214 F274 T278 T279 A280V210-M276 HydrophobicContact CG1-CE 3.41Å; V210-M276 VanDerWaalsContact CG1-CE 3.41Å; V210-M276 HydrophobicContact CG1-CG 3.99Å; V210-M276 HydrophobicContact CG1-SD 4.42Å; A214-M276 HydrophobicContact CB-CB 3.54Å; A214-M276 HydrophobicContact CB-CG 3.82Å; A214-M276 HydrophobicContact CB-SD 4.33Å; F274-M276 PolarHBondContact O-N 2.98Å; M276-T278 VanDerWaalsContact C-N 3.27Å; M276-T278 PolarHBondContact O-N 3.45Å; M276-T279 PolarHBondContact O-N 3.13Å; M276-A280 WeakPolarHBondContact O-CB 3.45Å; M276-A280 PolarHBondContact O-N 2.97Å
277P86.6Confident83.7Confident52 Ų5251.4 Ų51.434%0.33827%0.273SS..Hα-helixtrans-55.3-42.3173.1-27.634.6000113.1F37 F274 A280 V281F37-P277 HydrophobicContact CE1-CB 3.84Å; F37-P277 VanDerWaalsContact CZ-C 3.48Å; F37-P277 HydrophobicContact CZ-CB 3.7Å; F274-P277 HydrophobicContact CD1-CG 4.48Å; F274-P277 WeakPolarHBondContact O-CD 3.23Å; P277-A280 PolarHBondContact O-N 3.34Å; P277-V281 WeakPolarHBondContact O-CB 3.24Å; P277-V281 VanDerWaalsContact O-CG2 3.26Å; P277-V281 WeakPolarHBondContact O-CG2 3.12Å; P277-V281 PolarHBondContact O-N 3.4Å
278T82.8Confident83.4Confident19 Ų1956.6 Ų56.612%0.11729%0.293CS..Hα-helixtrans-58.7-54.9178.2-65.20000111E33 F37 F274 Q275 M276 A280 V281 T282E33-T278 HydrophobicContact CG-CG2 3.57Å; E33-T278 WeakPolarHBondContact OE1-CG2 3.37Å; F37-T278 HydrophobicContact CD2-CG2 4.41Å; F37-T278 VanDerWaalsContact CE2-CA 3.45Å; F37-T278 HydrophobicContact CE2-CG2 4.45Å; F274-T278 VanDerWaalsContact O-CB 3.24Å; F274-T278 WeakPolarHBondContact O-CB 3.38Å; F274-T278 PolarHBondContact O-N 3.32Å; F274-T278 PolarHBondContact O-OG1 3.38Å; Q275-T278 PolarHBondContact O-N 2.79Å; M276-T278 VanDerWaalsContact C-N 3.27Å; M276-T278 PolarHBondContact O-N 3.45Å; T278-A280 VanDerWaalsContact C-N 3.32Å; T278-A280 PolarHBondContact O-N 3.23Å; T278-V281 PolarHBondContact O-N 3.39Å; T278-T282 PolarHBondContact O-N 3.06Å; T278-T282 PolarHBondContact O-OG1 3.19Å
279T77.8Confident82.8Confident42 Ų4256 Ų5626%0.25829%0.29SS..Hα-helixtrans-58.8-43.2-180-61.60000112.1Q275 M276 V281 T282 W283Q275-T279 PolarHBondContact NE2-OG1 3.38Å; Q275-T279 PolarHBondContact O-N 3.43Å; Q275-T279 PolarHBondContact O-OG1 2.87Å; Q275-T279 VanDerWaalsContact O-OG1 3.13Å; M276-T279 PolarHBondContact O-N 3.13Å; T279-V281 PolarHBondContact O-N 3.36Å; T279-T282 PolarHBondContact O-N 3.47Å; T279-W283 WeakPolarHBondContact O-CB 3.12Å; T279-W283 PolarHBondContact O-N 2.86Å; T279-W283 VanDerWaalsContact O-N 3.07Å
280A80.2Confident82.1Confident40 Ų4052.9 Ų52.933%0.33128%0.275SS..Hα-helixtrans-62.9-42.517900000112.5M276 P277 T278 S284M276-A280 WeakPolarHBondContact O-CB 3.45Å; M276-A280 PolarHBondContact O-N 2.97Å; P277-A280 PolarHBondContact O-N 3.34Å; T278-A280 VanDerWaalsContact C-N 3.32Å; T278-A280 PolarHBondContact O-N 3.23Å; A280-S284 WeakPolarHBondContact O-CB 3.08Å; A280-S284 PolarHBondContact O-N 2.9Å; A280-S284 PolarHBondContact O-OG 3.39Å
281V81.2Confident81.6Confident38 Ų3858.3 Ų58.323%0.2330%0.298CS..Hα-helixtrans-64.7-49.8176.6165.10000110.8L36 F37 P277 T278 T279 W283 S284 V285L36-V281 HydrophobicContact CD1-CG1 3.35Å; F37-V281 HydrophobicContact CE2-CB 4.07Å; F37-V281 HydrophobicContact CE2-CG1 4.26Å; F37-V281 HydrophobicContact CE2-CG2 4.09Å; F37-V281 HydrophobicContact CZ-CG2 4.19Å; P277-V281 WeakPolarHBondContact O-CB 3.24Å; P277-V281 VanDerWaalsContact O-CG2 3.26Å; P277-V281 WeakPolarHBondContact O-CG2 3.12Å; P277-V281 PolarHBondContact O-N 3.4Å; T278-V281 PolarHBondContact O-N 3.39Å; T279-V281 PolarHBondContact O-N 3.36Å; V281-W283 VanDerWaalsContact C-N 3.28Å; V281-W283 PolarHBondContact O-N 3.37Å; V281-S284 PolarHBondContact O-N 3.49Å; V281-S284 VanDerWaalsContact O-N 3.16Å; V281-V285 HydrophobicContact CG1-CG2 4.21Å; V281-V285 WeakPolarHBondContact O-CB 3.34Å; V281-V285 VanDerWaalsContact O-CG2 3.25Å; V281-V285 WeakPolarHBondContact O-CG2 3.33Å; V281-V285 PolarHBondContact O-N 3.21Å
282T80.6Confident81.2Confident33 Ų3360.3 Ų60.320%0.20231%0.31CS..Hα-helixtrans-57.6-43.6-178.6-54.30000111.1A29 E33 T278 T279 Y286A29-T282 HydrophobicContact CB-CG2 4.17Å; E33-T282 VanDerWaalsContact CD-OG1 3.22Å; E33-T282 WeakPolarHBondContact CG-OG1 3.39Å; E33-T282 PolarHBondContact OE2-OG1 2.91Å; T278-T282 PolarHBondContact O-N 3.06Å; T278-T282 PolarHBondContact O-OG1 3.19Å; T279-T282 PolarHBondContact O-N 3.47Å; T282-Y286 VanDerWaalsContact O-CB 3.27Å; T282-Y286 WeakPolarHBondContact O-CB 3.5Å; T282-Y286 PolarHBondContact O-N 3.21Å
283W75.9Confident80.7Confident112 Ų11260.4 Ų60.442%0.42431%0.309SS..Hα-helixtrans-64.1-47.5175.1-105.886.8000113.3Y11 T279 V281 V285 Y286 E287Y11-W283 AromaticContact CD2-CH2 3.98Å; Y11-W283 HydrophobicContact CD2-CH2 3.98Å; Y11-W283 AromaticContact CD2-CZ2 3.97Å; Y11-W283 HydrophobicContact CD2-CZ2 3.97Å; Y11-W283 AromaticContact CE1-CZ2 4Å; Y11-W283 HydrophobicContact CE1-CZ2 4Å; Y11-W283 AromaticContact CE2-CH2 2.97Å; Y11-W283 HydrophobicContact CE2-CH2 2.97Å; Y11-W283 AromaticContact CE2-CZ2 3.13Å; Y11-W283 HydrophobicContact CE2-CZ2 3.13Å; Y11-W283 AromaticContact CE2-CZ3 3.74Å; Y11-W283 HydrophobicContact CE2-CZ3 3.74Å; Y11-W283 AromaticContact CZ-CE2 3.55Å; Y11-W283 AromaticContact CZ-CH2 3.32Å; Y11-W283 AromaticContact CZ-CZ2 3.11Å; Y11-W283 AromaticContact CZ-CZ3 3.84Å; Y11-W283 VanDerWaalsContact OH-CD2 3.3Å; Y11-W283 VanDerWaalsContact OH-CE3 3.26Å; Y11-W283 WeakPolarHBondContact OH-CH2 3.13Å; Y11-W283 WeakPolarHBondContact OH-CZ2 3.42Å; Y11-W283 WeakPolarHBondContact OH-CZ3 3.07Å; T279-W283 WeakPolarHBondContact O-CB 3.12Å; T279-W283 PolarHBondContact O-N 2.86Å; T279-W283 VanDerWaalsContact O-N 3.07Å; V281-W283 VanDerWaalsContact C-N 3.28Å; V281-W283 PolarHBondContact O-N 3.37Å; W283-V285 VanDerWaalsContact C-N 3.29Å; W283-V285 PolarHBondContact O-N 2.65Å; W283-Y286 PolarHBondContact O-N 3.22Å; W283-E287 HydrophobicContact CE3-CG 4.06Å; W283-E287 HydrophobicContact CZ3-CG 4.32Å; W283-E287 PolarHBondContact O-N 3.39Å
284S78.9Confident80.1Confident81 Ų8158.7 Ų58.757%0.56630%0.303SS*.Hα-helixtrans-60.5-42.1-179.8-58.80000111.3A280 V281 F288A280-S284 WeakPolarHBondContact O-CB 3.08Å; A280-S284 PolarHBondContact O-N 2.9Å; A280-S284 PolarHBondContact O-OG 3.39Å; V281-S284 PolarHBondContact O-N 3.49Å; V281-S284 VanDerWaalsContact O-N 3.16Å; S284-F288 VanDerWaalsContact O-CB 3.26Å; S284-F288 WeakPolarHBondContact O-CB 3.49Å; S284-F288 PolarHBondContact O-N 3.43Å
285V79.9Confident79.2Confident21 Ų2161.4 Ų61.413%0.12732%0.319CS..Hα-helixtrans-68.4-42.9177.7178.90000110.6A29 M32 V281 W283 F288 F289A29-V285 HydrophobicContact CB-CB 4.24Å; A29-V285 HydrophobicContact CB-CG1 4.09Å; M32-V285 HydrophobicContact CB-CG1 3.98Å; M32-V285 HydrophobicContact CB-CG2 4.28Å; M32-V285 HydrophobicContact CG-CG1 4.23Å; M32-V285 HydrophobicContact CG-CG2 3.8Å; V281-V285 HydrophobicContact CG1-CG2 4.21Å; V281-V285 WeakPolarHBondContact O-CB 3.34Å; V281-V285 VanDerWaalsContact O-CG2 3.25Å; V281-V285 WeakPolarHBondContact O-CG2 3.33Å; V281-V285 PolarHBondContact O-N 3.21Å; W283-V285 VanDerWaalsContact C-N 3.29Å; W283-V285 PolarHBondContact O-N 2.65Å; V285-F288 PolarHBondContact O-N 2.99Å; V285-F289 HydrophobicContact CG1-CD2 3.55Å; V285-F289 HydrophobicContact CG1-CE2 3.66Å; V285-F289 WeakPolarHBondContact O-CD2 3.36Å; V285-F289 PolarHBondContact O-N 3.02Å
286Y77.4Confident77.7Confident29 Ų2968.9 Ų68.911%0.11435%0.346CS..Hα-helixtrans-57.9-51.5177.1173.7-100.8000111.7H22 A25 T282 W283 F288 F289 K290H22-Y286 AromaticContact ND1-CZ 3.95Å; H22-Y286 PolarHBondContact ND1-OH 2.83Å; A25-Y286 HydrophobicContact CB-CD2 3.89Å; A25-Y286 HydrophobicContact CB-CE2 4.01Å; T282-Y286 VanDerWaalsContact O-CB 3.27Å; T282-Y286 WeakPolarHBondContact O-CB 3.5Å; T282-Y286 PolarHBondContact O-N 3.21Å; W283-Y286 PolarHBondContact O-N 3.22Å; Y286-F288 VanDerWaalsContact C-N 3.34Å; Y286-F288 PolarHBondContact O-N 3.39Å; Y286-F289 PolarHBondContact O-N 2.83Å; Y286-K290 HydrophobicContact CE1-CD 3.88Å; Y286-K290 WeakPolarHBondContact O-CB 3.42Å; Y286-K290 PolarHBondContact O-N 3.06Å
287E75.3Confident75.7Confident67 Ų6769.8 Ų69.831%0.31336%0.36SS..Hα-helixtrans-64.1-39.5179.2-75.5-59.7131.500111.7W283 K290 F291W283-E287 HydrophobicContact CE3-CG 4.06Å; W283-E287 HydrophobicContact CZ3-CG 4.32Å; W283-E287 PolarHBondContact O-N 3.39Å; E287-K290 PolarHBondContact O-N 2.81Å; E287-K290 IonicContact OE1-NZ 2.7Å; E287-K290 PolarHBondContact OE1-NZ 3.37Å; E287-K290 IonicContact OE2-NZ 2.67Å; E287-K290 PolarHBondContact OE2-NZ 3.12Å; E287-F291 VanDerWaalsContact O-CB 3.3Å; E287-F291 WeakPolarHBondContact O-CB 3.45Å; E287-F291 PolarHBondContact O-N 3.5Å
288F81.4Confident73.6Confident120 Ų12073.2 Ų73.253%0.52638%0.379SS..Hα-helixtrans-59.3-49.2174.8176.1-102.2000112.7S284 V285 Y286 F291 L292S284-F288 VanDerWaalsContact O-CB 3.26Å; S284-F288 WeakPolarHBondContact O-CB 3.49Å; S284-F288 PolarHBondContact O-N 3.43Å; V285-F288 PolarHBondContact O-N 2.99Å; Y286-F288 VanDerWaalsContact C-N 3.34Å; Y286-F288 PolarHBondContact O-N 3.39Å; F288-F291 PolarHBondContact O-N 3.38Å; F288-L292 HydrophobicContact CD1-CD1 3.97Å; F288-L292 HydrophobicContact CE1-CD1 3.34Å; F288-L292 HydrophobicContact CE1-CG 4.3Å; F288-L292 HydrophobicContact CE2-CD1 4.13Å; F288-L292 HydrophobicContact CE2-CG 4.37Å; F288-L292 HydrophobicContact CZ-CD1 3.44Å; F288-L292 VanDerWaalsContact CZ-CD1 3.44Å; F288-L292 HydrophobicContact CZ-CG 4.17Å; F288-L292 WeakPolarHBondContact O-CG 3.42Å; F288-L292 PolarHBondContact O-N 3.08Å
289F80.8Confident71.2Confident63 Ų6377.4 Ų77.428%0.27642%0.416SS..Hα-helixtrans-68.9-37.5179.2-87.2-81.3000112.4A25 A28 V285 Y286 F291 L292 L293A25-F289 HydrophobicContact CB-CB 3.78Å; A28-F289 HydrophobicContact CB-CD1 3.95Å; A28-F289 HydrophobicContact CB-CD2 3.69Å; A28-F289 HydrophobicContact CB-CE1 3.95Å; A28-F289 HydrophobicContact CB-CE2 3.7Å; A28-F289 HydrophobicContact CB-CG 3.82Å; A28-F289 HydrophobicContact CB-CZ 3.83Å; V285-F289 HydrophobicContact CG1-CD2 3.55Å; V285-F289 HydrophobicContact CG1-CE2 3.66Å; V285-F289 WeakPolarHBondContact O-CD2 3.36Å; V285-F289 PolarHBondContact O-N 3.02Å; Y286-F289 PolarHBondContact O-N 2.83Å; F289-F291 VanDerWaalsContact C-N 3.34Å; F289-L292 PolarHBondContact O-N 3.3Å; F289-L293 VanDerWaalsContact O-CB 3.29Å; F289-L293 WeakPolarHBondContact O-CB 3.08Å; F289-L293 VanDerWaalsContact O-CG 3.23Å; F289-L293 WeakPolarHBondContact O-CG 3.46Å; F289-L293 PolarHBondContact O-N 2.83Å
290K76.8Confident69.1Low34 Ų3482.1 Ų82.115%0.14847%0.472CS..Hα-helixtrans-62.5-42.3175.6176.6179151-152.40111.6V21 A25 Y286 E287 T294V21-K290 HydrophobicContact CG1-CG 4.35Å; A25-K290 HydrophobicContact CB-CB 4.22Å; Y286-K290 HydrophobicContact CE1-CD 3.88Å; Y286-K290 WeakPolarHBondContact O-CB 3.42Å; Y286-K290 PolarHBondContact O-N 3.06Å; E287-K290 PolarHBondContact O-N 2.81Å; E287-K290 IonicContact OE1-NZ 2.7Å; E287-K290 PolarHBondContact OE1-NZ 3.37Å; E287-K290 IonicContact OE2-NZ 2.67Å; E287-K290 PolarHBondContact OE2-NZ 3.12Å; K290-T294 VanDerWaalsContact O-CB 3.29Å; K290-T294 WeakPolarHBondContact O-CB 3.49Å; K290-T294 PolarHBondContact O-N 3.08Å; K290-T294 PolarHBondContact O-OG1 3.32Å
291F79.4Confident68.6Low125 Ų12584.2 Ų84.255%0.54848%0.479SS..Hα-helixtrans-58.8-54.2172.3176.5-100.1000110.8E287 F288 F289 L293 T294 D295E287-F291 VanDerWaalsContact O-CB 3.3Å; E287-F291 WeakPolarHBondContact O-CB 3.45Å; E287-F291 PolarHBondContact O-N 3.5Å; F288-F291 PolarHBondContact O-N 3.38Å; F289-F291 VanDerWaalsContact C-N 3.34Å; F291-L293 VanDerWaalsContact C-N 3.29Å; F291-L293 PolarHBondContact O-N 2.84Å; F291-T294 PolarHBondContact O-N 2.93Å; F291-D295 WeakPolarHBondContact CE2-OD2 3.22Å; F291-D295 WeakPolarHBondContact CZ-OD2 3.31Å; F291-D295 WeakPolarHBondContact O-CB 3.35Å; F291-D295 PolarHBondContact O-N 3.23Å
292L81.8Confident67.9Low77 Ų7786.6 Ų86.640%0.40349%0.493SS..Hα-helixtrans-59.7-34.3-179.1-74.2-178.2000114.6F288 F289F288-L292 HydrophobicContact CD1-CD1 3.97Å; F288-L292 HydrophobicContact CE1-CD1 3.34Å; F288-L292 HydrophobicContact CE1-CG 4.3Å; F288-L292 HydrophobicContact CE2-CD1 4.13Å; F288-L292 HydrophobicContact CE2-CG 4.37Å; F288-L292 HydrophobicContact CZ-CD1 3.44Å; F288-L292 VanDerWaalsContact CZ-CD1 3.44Å; F288-L292 HydrophobicContact CZ-CG 4.17Å; F288-L292 WeakPolarHBondContact O-CG 3.42Å; F288-L292 PolarHBondContact O-N 3.08Å; F289-L292 PolarHBondContact O-N 3.3Å
293L79.9Confident67.2Low45 Ų4589.6 Ų89.624%0.23651%0.509CS..Hα-helixtrans-85.5-25.1-177.8-71.7170.9000112.8V21 L24 A25 F289 F291V21-L293 HydrophobicContact CB-CB 4.3Å; V21-L293 HydrophobicContact CG1-CB 3.65Å; V21-L293 HydrophobicContact CG1-CD1 4.27Å; V21-L293 HydrophobicContact CG2-CB 4.01Å; L24-L293 HydrophobicContact CB-CD1 3.71Å; L24-L293 HydrophobicContact CD1-CD1 4.43Å; A25-L293 HydrophobicContact CB-CD1 4.49Å; F289-L293 VanDerWaalsContact O-CB 3.29Å; F289-L293 WeakPolarHBondContact O-CB 3.08Å; F289-L293 VanDerWaalsContact O-CG 3.23Å; F289-L293 WeakPolarHBondContact O-CG 3.46Å; F289-L293 PolarHBondContact O-N 2.83Å; F291-L293 VanDerWaalsContact C-N 3.29Å; F291-L293 PolarHBondContact O-N 2.84Å
294T76.4Confident66.7Low70 Ų7088.3 Ų88.343%0.42951%0.514SS..Hα-helixtrans-79.5-40.6174.8-55.40000111.4K290 F291 R296K290-T294 VanDerWaalsContact O-CB 3.29Å; K290-T294 WeakPolarHBondContact O-CB 3.49Å; K290-T294 PolarHBondContact O-N 3.08Å; K290-T294 PolarHBondContact O-OG1 3.32Å; F291-T294 PolarHBondContact O-N 2.93Å; T294-R296 VanDerWaalsContact C-N 3.29Å; T294-R296 PolarHBondContact O-N 2.92Å
295D64.7Low65.9Low96 Ų9688.8 Ų88.851%0.51351%0.51SS..SBendtrans-83.19.3-172.1-83.95.3000115.2F291 P297F291-D295 WeakPolarHBondContact CE2-OD2 3.22Å; F291-D295 WeakPolarHBondContact CZ-OD2 3.31Å; F291-D295 WeakPolarHBondContact O-CB 3.35Å; F291-D295 PolarHBondContact O-N 3.23Å; D295-P297 WeakPolarHBondContact O-CD 3.44Å
296R53.1Low65Low187 Ų18793.3 Ų93.371%0.70654%0.536SS*.  trans-77110.1168.9-75.2-173.1178.7179.3-0.4109.3T294 V298T294-R296 VanDerWaalsContact C-N 3.29Å; T294-R296 PolarHBondContact O-N 2.92Å; R296-V298 PolarHBondContact O-N 3.4Å
297P38.6Very low64.1Low115 Ų11597.9 Ų97.975%0.74757%0.566SS**  trans-58.5133.7164.826.5-31.8000106.9D295 A299D295-P297 WeakPolarHBondContact O-CD 3.44Å; P297-A299 VanDerWaalsContact C-N 3.32Å; P297-A299 PolarHBondContact O-N 3.22Å
298V43.6Very low63.2Low124 Ų124100.2 Ų100.275%0.75259%0.586SS**  trans-59.1104.7168.4178.20000105.4R296 G300R296-V298 PolarHBondContact O-N 3.4Å; V298-G300 PolarHBondContact O-N 3.04Å
299A31.7Very low61.7Low107 Ų10798.6 Ų98.688%0.88459%0.59SS**  trans-66.5102166.900000106.2P297P297-A299 VanDerWaalsContact C-N 3.32Å; P297-A299 PolarHBondContact O-N 3.22Å
300G33.9Very low60Low140 Ų140101.8 Ų101.8100%1.44362%0.619SS**  trans-170.90179.300000109.5V298V298-G300 PolarHBondContact O-N 3.04Å

Retrieved 300 of 300 residues in 181.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).