A0A077ZCD4_TRITR Loading...

GRIP domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCD4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 519 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.5Low69.6Low55 Ų5559.2 Ų59.227%0.27131%0.311SS..  0-18.80-144.4177.4-77.900111.8E461 T463 E464 Y467M1-E461 HydrophobicContact CE-CB 3.38Å; M1-E461 HydrophobicContact CE-CG 4.3Å; M1-E461 WeakPolarHBondContact CE-OE2 3.43Å; M1-T463 WeakPolarHBondContact CE-OG1 3.19Å; M1-T463 WeakPolarHBondContact SD-CB 3.41Å; M1-T463 PolarHBondContact SD-OG1 2.94Å; M1-E464 HydrophobicContact CB-CG 3.66Å; M1-E464 HydrophobicContact CE-CG 3.94Å; M1-E464 HydrophobicContact CG-CG 4.14Å; M1-E464 VanDerWaalsContact N-CG 3.26Å; M1-E464 PolarHBondContact N-OE1 3Å; M1-Y467 VanDerWaalsContact C-CD1 3.42Å; M1-Y467 VanDerWaalsContact N-CD1 3.34Å; M1-Y467 WeakPolarHBondContact O-CD2 3.18Å; M1-Y467 WeakPolarHBondContact O-CE1 3.4Å; M1-Y467 WeakPolarHBondContact O-CE2 3.45Å
2L67.7Low69.8Low142 Ų14259.7 Ų59.774%0.74332%0.322SS*.  trans-130.66.1178.5-72160000115.6Y467L2-Y467 VanDerWaalsContact C-CZ 3.47Å; L2-Y467 WeakPolarHBondContact CA-OH 3.41Å; L2-Y467 PolarHBondContact O-OH 3.28Å
3E74.8Confident70.3Confident107 Ų10762.8 Ų62.850%0.533%0.326SS..SBendtrans-98.3-48.9157.7-47.2-169.8164.300118.5D6 R7 Y467E3-D6 WeakPolarHBondContact O-CA 3.25Å; E3-D6 VanDerWaalsContact O-CB 3.31Å; E3-D6 WeakPolarHBondContact O-CB 3.46Å; E3-D6 PolarHBondContact O-N 3Å; E3-D6 VanDerWaalsContact O-N 3.11Å; E3-R7 VanDerWaalsContact CB-NH1 3.26Å; E3-R7 WeakPolarHBondContact O-CD 3.49Å; E3-R7 PolarHBondContact O-N 3.09Å; E3-R7 IonicContact OE2-CZ 2.78Å; E3-R7 IonicContact OE2-NH1 3.77Å; E3-R7 PolarHBondContact OE2-NH1 3.36Å; E3-R7 IonicContact OE2-NH2 3.59Å; E3-R7 PolarHBondContact OE2-NH2 3.04Å; E3-Y467 VanDerWaalsContact C-CE1 3.44Å; E3-Y467 WeakPolarHBondContact CA-OH 3.3Å; E3-Y467 PolarHBondContact N-OH 2.77Å
4S63Low71Confident4 Ų459 Ų593%0.02831%0.306CS..THydrogen-bonded Turntrans-52.5-63.3178.1-24.70000117.9D6 R7 L8 Y467 I471 V496S4-D6 PolarHBondContact O-N 2.94Å; S4-R7 CarbonylContact O-C 3.4Å; S4-R7 WeakPolarHBondContact O-CA 3.43Å; S4-R7 PolarHBondContact O-N 2.8Å; S4-L8 PolarHBondContact O-N 3.43Å; S4-Y467 VanDerWaalsContact CB-O 3.32Å; S4-Y467 WeakPolarHBondContact CB-O 2.95Å; S4-Y467 VanDerWaalsContact N-CZ 3.27Å; S4-Y467 PolarHBondContact N-OH 3.28Å; S4-Y467 WeakPolarHBondContact OG-CD1 3.02Å; S4-I471 VanDerWaalsContact CA-CD1 3.4Å; S4-I471 WeakPolarHBondContact O-CD1 3.5Å; S4-I471 WeakPolarHBondContact O-CG1 3.27Å; S4-V496 WeakPolarHBondContact OG-CG2 3.46Å
5I69Low71Confident60 Ų6059.4 Ų59.431%0.30830%0.302SS..THydrogen-bonded Turntrans-60.7-12.4167.6-60.3162.6000113.4R7 L8 A9 Y467 N470I5-R7 VanDerWaalsContact C-N 3.34Å; I5-L8 VanDerWaalsContact CA-N 3.3Å; I5-L8 HydrophobicContact CB-CB 3.99Å; I5-L8 HydrophobicContact CG1-CB 3.95Å; I5-L8 HydrophobicContact CG2-CB 4.02Å; I5-L8 HydrophobicContact CG2-CD2 4.44Å; I5-L8 CarbonylContact O-C 3.59Å; I5-L8 WeakPolarHBondContact O-CA 3.3Å; I5-L8 PolarHBondContact O-N 2.61Å; I5-A9 PolarHBondContact O-N 2.71Å; I5-Y467 VanDerWaalsContact CA-CE2 3.5Å; I5-Y467 HydrophobicContact CB-CD2 3.63Å; I5-Y467 HydrophobicContact CB-CE2 3.23Å; I5-Y467 HydrophobicContact CD1-CD2 3.48Å; I5-Y467 VanDerWaalsContact CD1-CD2 3.48Å; I5-Y467 HydrophobicContact CD1-CE2 3.84Å; I5-Y467 HydrophobicContact CG1-CD2 3.31Å; I5-Y467 HydrophobicContact CG1-CE2 3.53Å; I5-Y467 HydrophobicContact CG1-CG 4.21Å; I5-Y467 VanDerWaalsContact N-CD2 3.3Å; I5-Y467 PolarHBondContact N-OH 2.53Å; I5-N470 HydrophobicContact CG1-CB 4.2Å
6D72.9Confident71Confident95 Ų9560.9 Ų60.951%0.50832%0.32SS..THydrogen-bonded Turntrans-72-38.5166.7-70.531.3000108.9E3 S4 L8 A9 E10 Y467E3-D6 WeakPolarHBondContact O-CA 3.25Å; E3-D6 VanDerWaalsContact O-CB 3.31Å; E3-D6 WeakPolarHBondContact O-CB 3.46Å; E3-D6 PolarHBondContact O-N 3Å; E3-D6 VanDerWaalsContact O-N 3.11Å; S4-D6 PolarHBondContact O-N 2.94Å; D6-L8 VanDerWaalsContact C-N 3.33Å; D6-A9 WeakPolarHBondContact O-CB 3.43Å; D6-A9 PolarHBondContact O-N 2.8Å; D6-E10 VanDerWaalsContact O-CB 3.31Å; D6-E10 WeakPolarHBondContact O-CB 3.29Å; D6-E10 PolarHBondContact O-N 2.88Å; D6-Y467 PolarHBondContact N-OH 3.17Å; D6-Y467 PolarHBondContact OD1-OH 3.12Å; D6-Y467 VanDerWaalsContact OD1-OH 3.09Å
7R74.6Confident71.6Confident41 Ų4161.8 Ų61.816%0.15532%0.322CS..THydrogen-bonded Turntrans-85.215.1156.1-28.482.2145.3-162.114.1115.3E3 S4 I5 E10 I11 I471 R474 T488 L489 A492E3-R7 VanDerWaalsContact CB-NH1 3.26Å; E3-R7 WeakPolarHBondContact O-CD 3.49Å; E3-R7 PolarHBondContact O-N 3.09Å; E3-R7 IonicContact OE2-CZ 2.78Å; E3-R7 IonicContact OE2-NH1 3.77Å; E3-R7 PolarHBondContact OE2-NH1 3.36Å; E3-R7 IonicContact OE2-NH2 3.59Å; E3-R7 PolarHBondContact OE2-NH2 3.04Å; S4-R7 CarbonylContact O-C 3.4Å; S4-R7 WeakPolarHBondContact O-CA 3.43Å; S4-R7 PolarHBondContact O-N 2.8Å; I5-R7 VanDerWaalsContact C-N 3.34Å; R7-E10 HydrophobicContact CB-CB 4.32Å; R7-I11 VanDerWaalsContact O-CG1 3.29Å; R7-I11 WeakPolarHBondContact O-CG1 3.42Å; R7-I471 HydrophobicContact CB-CD1 3.67Å; R7-I471 HydrophobicContact CB-CG1 4.23Å; R7-I471 HydrophobicContact CG-CD1 4.38Å; R7-R474 PolarHBondContact O-NH2 3.04Å; R7-T488 HydrophobicContact CG-CG2 4.2Å; R7-L489 HydrophobicContact CB-CD2 3.59Å; R7-L489 HydrophobicContact CB-CG 4.43Å; R7-A492 HydrophobicContact CB-CB 3.98Å; R7-A492 HydrophobicContact CG-CB 3.62Å; R7-A492 VanDerWaalsContact CZ-CA 3.41Å; R7-A492 VanDerWaalsContact CZ-CB 3.45Å
8L64.4Low71.8Confident39 Ų3959.1 Ų59.120%0.20431%0.31CS..THydrogen-bonded Turntrans-104.317.7148.3-160.1111.1000111.5S4 I5 D6 N470 R474S4-L8 PolarHBondContact O-N 3.43Å; I5-L8 VanDerWaalsContact CA-N 3.3Å; I5-L8 HydrophobicContact CB-CB 3.99Å; I5-L8 HydrophobicContact CG1-CB 3.95Å; I5-L8 HydrophobicContact CG2-CB 4.02Å; I5-L8 HydrophobicContact CG2-CD2 4.44Å; I5-L8 CarbonylContact O-C 3.59Å; I5-L8 WeakPolarHBondContact O-CA 3.3Å; I5-L8 PolarHBondContact O-N 2.61Å; D6-L8 VanDerWaalsContact C-N 3.33Å; L8-N470 HydrophobicContact CB-CB 3.84Å; L8-N470 HydrophobicContact CD1-CB 3.53Å; L8-N470 WeakPolarHBondContact CD1-O 3.43Å; L8-N470 HydrophobicContact CD2-CB 3.87Å; L8-N470 HydrophobicContact CG-CB 3.88Å; L8-R474 HydrophobicContact CD1-CB 3.51Å; L8-R474 VanDerWaalsContact CD1-CD 3.43Å; L8-R474 HydrophobicContact CD1-CG 3.98Å; L8-R474 VanDerWaalsContact O-CZ 3.29Å; L8-R474 PolarHBondContact O-NH1 2.7Å
9A71.5Confident71.7Confident56 Ų5658.9 Ų58.946%0.46331%0.312SS..THydrogen-bonded Turntrans-110.5-49.6156.500000108.8I5 D6 I11 C12 R13 R474I5-A9 PolarHBondContact O-N 2.71Å; D6-A9 WeakPolarHBondContact O-CB 3.43Å; D6-A9 PolarHBondContact O-N 2.8Å; A9-I11 VanDerWaalsContact C-N 3.34Å; A9-I11 PolarHBondContact O-N 3.34Å; A9-C12 PolarHBondContact O-N 3.34Å; A9-R13 VanDerWaalsContact O-CB 3.31Å; A9-R13 WeakPolarHBondContact O-CB 3.29Å; A9-R13 PolarHBondContact O-N 2.94Å; A9-R474 PolarHBondContact O-NH1 2.95Å; A9-R474 PolarHBondContact O-NH2 3.44Å; A9-R474 VanDerWaalsContact O-NH2 3.13Å
10E78.8Confident72.1Confident52 Ų5262 Ų6224%0.24332%0.322CS..THydrogen-bonded Turntrans-72.752.7178.4-151.965.9173.600116.6D6 R7 R13 E485 T488D6-E10 VanDerWaalsContact O-CB 3.31Å; D6-E10 WeakPolarHBondContact O-CB 3.29Å; D6-E10 PolarHBondContact O-N 2.88Å; R7-E10 HydrophobicContact CB-CB 4.32Å; E10-R13 VanDerWaalsContact CD-NH2 3.26Å; E10-R13 IonicContact OE1-CZ 3.5Å; E10-R13 IonicContact OE1-NE 2.69Å; E10-R13 IonicContact OE1-NH2 2.79Å; E10-R13 PolarHBondContact OE1-NH2 2.94Å; E10-R13 IonicContact OE2-CZ 3.41Å; E10-R13 IonicContact OE2-NE 3.55Å; E10-R13 PolarHBondContact OE2-NE 3.33Å; E10-R13 IonicContact OE2-NH2 3.35Å; E10-R13 PolarHBondContact OE2-NH2 3.4Å; E10-E485 VanDerWaalsContact C-OE2 3.27Å; E10-E485 WeakPolarHBondContact CA-OE2 3.43Å; E10-E485 HydrophobicContact CG-CB 3.94Å; E10-E485 HydrophobicContact CG-CG 3.91Å; E10-E485 WeakPolarHBondContact CG-OE2 3.31Å; E10-E485 VanDerWaalsContact OE1-CD 3.26Å; E10-E485 WeakPolarHBondContact OE1-CG 3.39Å; E10-T488 HydrophobicContact CG-CG2 4.11Å
11I73.2Confident72.5Confident0 Ų064.2 Ų64.20%033%0.331CS..THydrogen-bonded Turntrans-167.2-49.7173.8-30.2-174.5000109.7R7 A9 R13 L14 R15 R474 E478 L482 L489R7-I11 VanDerWaalsContact O-CG1 3.29Å; R7-I11 WeakPolarHBondContact O-CG1 3.42Å; A9-I11 VanDerWaalsContact C-N 3.34Å; A9-I11 PolarHBondContact O-N 3.34Å; I11-R13 PolarHBondContact O-N 3.41Å; I11-L14 HydrophobicContact CG2-CD1 4.28Å; I11-L14 CarbonylContact O-C 2.85Å; I11-L14 WeakPolarHBondContact O-CB 3.3Å; I11-L14 PolarHBondContact O-N 2.95Å; I11-L14 VanDerWaalsContact O-N 3.12Å; I11-R15 VanDerWaalsContact O-CB 3.32Å; I11-R15 WeakPolarHBondContact O-CB 3.45Å; I11-R15 PolarHBondContact O-N 3.46Å; I11-R474 HydrophobicContact CB-CG 3.76Å; I11-R474 VanDerWaalsContact CB-NH2 3.31Å; I11-R474 VanDerWaalsContact CD1-C 3.41Å; I11-R474 HydrophobicContact CD1-CB 3.48Å; I11-R474 VanDerWaalsContact CD1-CB 3.48Å; I11-R474 HydrophobicContact CD1-CG 3.67Å; I11-R474 HydrophobicContact CG1-CB 4.32Å; I11-R474 HydrophobicContact CG1-CG 4.05Å; I11-R474 VanDerWaalsContact CG1-CZ 3.45Å; I11-R474 HydrophobicContact CG2-CG 4.13Å; I11-R474 VanDerWaalsContact N-CZ 3.34Å; I11-E478 HydrophobicContact CG2-CB 3.89Å; I11-L482 HydrophobicContact CB-CD2 4.41Å; I11-L482 HydrophobicContact CG2-CD1 3.32Å; I11-L482 HydrophobicContact CG2-CD2 3.03Å; I11-L482 HydrophobicContact CG2-CG 3.75Å; I11-L489 HydrophobicContact CB-CD1 3.93Å; I11-L489 HydrophobicContact CD1-CD1 3.47Å; I11-L489 VanDerWaalsContact CD1-CD1 3.47Å; I11-L489 HydrophobicContact CD1-CD2 3.1Å; I11-L489 HydrophobicContact CD1-CG 3.72Å; I11-L489 HydrophobicContact CG1-CD1 3.22Å; I11-L489 HydrophobicContact CG1-CD2 3.22Å; I11-L489 HydrophobicContact CG1-CG 3.58Å; I11-L489 HydrophobicContact CG2-CD1 3.67Å
12C72.5Confident73.3Confident65 Ų6567 Ų6744%0.43935%0.347SS..Hα-helixtrans-60-35.5166.3-72.70000107A9 R15 S16 R474 E478A9-C12 PolarHBondContact O-N 3.34Å; C12-R15 PolarHBondContact O-N 3.22Å; C12-S16 WeakPolarHBondContact O-CA 3.44Å; C12-S16 WeakPolarHBondContact O-CB 3.42Å; C12-S16 PolarHBondContact O-N 3.12Å; C12-R474 WeakPolarHBondContact SG-CD 3.12Å; C12-R474 PolarHBondContact SG-NH1 2.97Å; C12-E478 PolarHBondContact N-OE2 2.97Å
13R75.6Confident73.6Confident101 Ų10167.6 Ų67.638%0.38134%0.339SS..Hα-helixtrans-56.3-58.2169.8-168.9169.476.270.2-5.4110.4A9 E10 I11 R15 S16 E17 E485A9-R13 VanDerWaalsContact O-CB 3.31Å; A9-R13 WeakPolarHBondContact O-CB 3.29Å; A9-R13 PolarHBondContact O-N 2.94Å; E10-R13 VanDerWaalsContact CD-NH2 3.26Å; E10-R13 IonicContact OE1-CZ 3.5Å; E10-R13 IonicContact OE1-NE 2.69Å; E10-R13 IonicContact OE1-NH2 2.79Å; E10-R13 PolarHBondContact OE1-NH2 2.94Å; E10-R13 IonicContact OE2-CZ 3.41Å; E10-R13 IonicContact OE2-NE 3.55Å; E10-R13 PolarHBondContact OE2-NE 3.33Å; E10-R13 IonicContact OE2-NH2 3.35Å; E10-R13 PolarHBondContact OE2-NH2 3.4Å; I11-R13 PolarHBondContact O-N 3.41Å; R13-R15 PolarHBondContact O-N 3.31Å; R13-S16 CarbonylContact O-C 3.54Å; R13-S16 WeakPolarHBondContact O-CB 3.39Å; R13-S16 PolarHBondContact O-N 2.94Å; R13-E17 WeakPolarHBondContact CG-OE1 3.49Å; R13-E17 IonicContact CZ-OE1 3.49Å; R13-E17 VanDerWaalsContact NH1-CD 3.32Å; R13-E17 IonicContact NH1-OE1 2.67Å; R13-E17 PolarHBondContact NH1-OE1 3.44Å; R13-E17 IonicContact NH1-OE2 3.46Å; R13-E17 PolarHBondContact NH1-OE2 2.92Å; R13-E17 WeakPolarHBondContact O-CG 3.33Å; R13-E17 PolarHBondContact O-N 2.98Å; R13-E485 IonicContact CZ-OE1 3.23Å; R13-E485 IonicContact CZ-OE2 3.83Å; R13-E485 IonicContact NE-OE1 2.68Å; R13-E485 IonicContact NE-OE2 3.48Å; R13-E485 IonicContact NH1-OE1 3.35Å; R13-E485 PolarHBondContact NH1-OE1 3.35Å; R13-E485 VanDerWaalsContact NH1-OE1 3.1Å; R13-E485 IonicContact NH2-OE1 2.92Å; R13-E485 PolarHBondContact NH2-OE1 2.68Å; R13-E485 IonicContact NH2-OE2 2.8Å
14L80.3Confident74.1Confident9 Ų966.2 Ų66.25%0.04734%0.335CS..Hα-helixtrans-58.8-41.4175.1-68.2156.4000114.8I11 S16 E17 A18 L481 L482 E485 L489I11-L14 HydrophobicContact CG2-CD1 4.28Å; I11-L14 CarbonylContact O-C 2.85Å; I11-L14 WeakPolarHBondContact O-CB 3.3Å; I11-L14 PolarHBondContact O-N 2.95Å; I11-L14 VanDerWaalsContact O-N 3.12Å; L14-S16 VanDerWaalsContact C-N 3.31Å; L14-E17 CarbonylContact O-C 3.56Å; L14-E17 VanDerWaalsContact O-C 3.29Å; L14-E17 VanDerWaalsContact O-CA 3.24Å; L14-E17 WeakPolarHBondContact O-CA 3.36Å; L14-E17 VanDerWaalsContact O-CB 3.32Å; L14-E17 WeakPolarHBondContact O-CB 3.45Å; L14-E17 PolarHBondContact O-N 3.48Å; L14-A18 WeakPolarHBondContact O-CB 3.17Å; L14-A18 PolarHBondContact O-N 2.79Å; L14-L481 CarbonylContact C-O 2.85Å; L14-L481 VanDerWaalsContact C-O 3.25Å; L14-L482 HydrophobicContact CB-CB 4.49Å; L14-L482 HydrophobicContact CB-CD2 4Å; L14-L482 HydrophobicContact CD1-CB 3.68Å; L14-L482 HydrophobicContact CD1-CD1 4.46Å; L14-L482 HydrophobicContact CD1-CD2 4.02Å; L14-L482 HydrophobicContact CD1-CG 4.19Å; L14-L482 WeakPolarHBondContact CD1-O 3.41Å; L14-L482 WeakPolarHBondContact CD2-O 3.46Å; L14-L482 WeakPolarHBondContact CG-O 3.31Å; L14-E485 HydrophobicContact CD1-CB 3.31Å; L14-E485 HydrophobicContact CD1-CG 3.94Å; L14-E485 HydrophobicContact CD2-CB 3.97Å; L14-E485 HydrophobicContact CD2-CG 3.65Å; L14-E485 WeakPolarHBondContact CD2-OE1 3.4Å; L14-E485 HydrophobicContact CG-CB 3.81Å; L14-E485 HydrophobicContact CG-CG 3.84Å; L14-E485 WeakPolarHBondContact CG-OE1 3.36Å; L14-E485 VanDerWaalsContact CG-OE2 3.23Å; L14-E485 WeakPolarHBondContact CG-OE2 3.49Å; L14-L489 HydrophobicContact CD1-CD1 4.45Å
15R71.4Confident74.7Confident65 Ų6569.2 Ų69.225%0.24536%0.356CS..Hα-helixtrans-66-43.3-179.5-100.4-116.2174139.6-23.5110.2I11 C12 R13 E17 A18 V19 T477 E478 L481 L482I11-R15 VanDerWaalsContact O-CB 3.32Å; I11-R15 WeakPolarHBondContact O-CB 3.45Å; I11-R15 PolarHBondContact O-N 3.46Å; C12-R15 PolarHBondContact O-N 3.22Å; R13-R15 PolarHBondContact O-N 3.31Å; R15-E17 PolarHBondContact O-N 2.94Å; R15-A18 PolarHBondContact O-N 3.42Å; R15-V19 WeakPolarHBondContact O-CA 3.38Å; R15-V19 WeakPolarHBondContact O-CB 3.36Å; R15-V19 WeakPolarHBondContact O-CG2 3.41Å; R15-V19 PolarHBondContact O-N 2.9Å; R15-T477 PolarHBondContact NH2-O 3.08Å; R15-E478 WeakPolarHBondContact CD-OE1 3.08Å; R15-E478 HydrophobicContact CG-CB 3.55Å; R15-E478 HydrophobicContact CG-CG 3.88Å; R15-E478 WeakPolarHBondContact CG-OE2 3.13Å; R15-E478 IonicContact CZ-OE1 2.7Å; R15-E478 IonicContact NE-OE1 3.4Å; R15-E478 VanDerWaalsContact NH1-CG 3.28Å; R15-E478 IonicContact NH1-OE1 3.95Å; R15-E478 PolarHBondContact NH1-OE1 3.01Å; R15-L481 WeakPolarHBondContact CA-O 3.37Å; R15-L481 HydrophobicContact CG-CB 3.77Å; R15-L481 PolarHBondContact N-O 3.49Å; R15-L482 HydrophobicContact CG-CD2 3.9Å
16S70.1Confident75.1Confident84 Ų8470.2 Ų70.259%0.58737%0.365SS*.Hα-helixtrans-56.4-41.6167.8-169.30000109.3C12 R13 L14 K20C12-S16 WeakPolarHBondContact O-CA 3.44Å; C12-S16 WeakPolarHBondContact O-CB 3.42Å; C12-S16 PolarHBondContact O-N 3.12Å; R13-S16 CarbonylContact O-C 3.54Å; R13-S16 WeakPolarHBondContact O-CB 3.39Å; R13-S16 PolarHBondContact O-N 2.94Å; L14-S16 VanDerWaalsContact C-N 3.31Å; S16-K20 WeakPolarHBondContact O-CA 3.29Å; S16-K20 WeakPolarHBondContact O-CB 3.5Å; S16-K20 PolarHBondContact O-N 3.16Å
17E81.2Confident75.5Confident76 Ų7669.1 Ų69.136%0.35536%0.359SS..Hα-helixtrans-70.3-38177.6-72.8166.5-160.600115.2R13 L14 R15 K20 E21R13-E17 WeakPolarHBondContact CG-OE1 3.49Å; R13-E17 IonicContact CZ-OE1 3.49Å; R13-E17 VanDerWaalsContact NH1-CD 3.32Å; R13-E17 IonicContact NH1-OE1 2.67Å; R13-E17 PolarHBondContact NH1-OE1 3.44Å; R13-E17 IonicContact NH1-OE2 3.46Å; R13-E17 PolarHBondContact NH1-OE2 2.92Å; R13-E17 WeakPolarHBondContact O-CG 3.33Å; R13-E17 PolarHBondContact O-N 2.98Å; L14-E17 CarbonylContact O-C 3.56Å; L14-E17 VanDerWaalsContact O-C 3.29Å; L14-E17 VanDerWaalsContact O-CA 3.24Å; L14-E17 WeakPolarHBondContact O-CA 3.36Å; L14-E17 VanDerWaalsContact O-CB 3.32Å; L14-E17 WeakPolarHBondContact O-CB 3.45Å; L14-E17 PolarHBondContact O-N 3.48Å; R15-E17 PolarHBondContact O-N 2.94Å; E17-K20 CarbonylContact O-C 3.25Å; E17-K20 WeakPolarHBondContact O-CB 3.4Å; E17-K20 PolarHBondContact O-N 2.92Å; E17-E21 WeakPolarHBondContact O-CG 3.1Å; E17-E21 PolarHBondContact O-N 3.49Å
18A75.2Confident75.8Confident13 Ų1369.8 Ų69.811%0.10737%0.373CS..Hα-helixtrans-95.4-26.8-176.800000112.1L14 R15 E21 L22 L481L14-A18 WeakPolarHBondContact O-CB 3.17Å; L14-A18 PolarHBondContact O-N 2.79Å; R15-A18 PolarHBondContact O-N 3.42Å; A18-E21 PolarHBondContact O-N 2.68Å; A18-L22 WeakPolarHBondContact O-CB 3.47Å; A18-L22 PolarHBondContact O-N 3.33Å; A18-L481 VanDerWaalsContact CB-C 3.43Å; A18-L481 HydrophobicContact CB-CB 3.89Å; A18-L481 HydrophobicContact CB-CD2 3.84Å; A18-L481 WeakPolarHBondContact CB-O 3.37Å
19V70.1Confident76.4Confident56 Ų5672.9 Ų72.934%0.33939%0.389SS..Hα-helixtrans-66.3-31.7159175.80000108.7R15 R23 L481R15-V19 WeakPolarHBondContact O-CA 3.38Å; R15-V19 WeakPolarHBondContact O-CB 3.36Å; R15-V19 WeakPolarHBondContact O-CG2 3.41Å; R15-V19 PolarHBondContact O-N 2.9Å; V19-R23 WeakPolarHBondContact O-CB 3.44Å; V19-R23 PolarHBondContact O-N 2.97Å; V19-L481 HydrophobicContact CG2-CD1 3.76Å; V19-L481 HydrophobicContact CG2-CD2 4.01Å; V19-L481 HydrophobicContact CG2-CG 4.39Å
20K79.3Confident76.7Confident119 Ų11974.2 Ų74.252%0.51739%0.389SS..Hα-helixtrans-70.5-45168.8175.6-173.7175.2-158.90111.9S16 E17 R23 D24S16-K20 WeakPolarHBondContact O-CA 3.29Å; S16-K20 WeakPolarHBondContact O-CB 3.5Å; S16-K20 PolarHBondContact O-N 3.16Å; E17-K20 CarbonylContact O-C 3.25Å; E17-K20 WeakPolarHBondContact O-CB 3.4Å; E17-K20 PolarHBondContact O-N 2.92Å; K20-R23 CarbonylContact O-C 3.51Å; K20-R23 PolarHBondContact O-N 3.32Å; K20-D24 WeakPolarHBondContact CE-OD2 3.42Å; K20-D24 VanDerWaalsContact CG-OD2 3.3Å; K20-D24 WeakPolarHBondContact CG-OD2 3.24Å; K20-D24 WeakPolarHBondContact O-CB 3.35Å; K20-D24 PolarHBondContact O-N 3.48Å
21E81.6Confident77Confident109 Ų10978.7 Ų78.751%0.50941%0.407SS..Hα-helixtrans-64.3-41.6175.7-74.4170.716400111.5E17 A18 R23 D24 S25E17-E21 WeakPolarHBondContact O-CG 3.1Å; E17-E21 PolarHBondContact O-N 3.49Å; A18-E21 PolarHBondContact O-N 2.68Å; E21-R23 VanDerWaalsContact C-N 3.34Å; E21-D24 PolarHBondContact O-N 2.67Å; E21-S25 WeakPolarHBondContact O-CB 3.33Å; E21-S25 PolarHBondContact O-N 2.95Å
22L72Confident77.4Confident114 Ų11484.1 Ų84.160%0.59743%0.432SS*.Hα-helixtrans-66.1-38174.9-16098.3000110.9A18 T26A18-L22 WeakPolarHBondContact O-CB 3.47Å; A18-L22 PolarHBondContact O-N 3.33Å; L22-T26 VanDerWaalsContact O-CB 3.22Å; L22-T26 WeakPolarHBondContact O-CB 3.42Å; L22-T26 PolarHBondContact O-N 3.14Å; L22-T26 PolarHBondContact O-OG1 2.99Å
23R74.4Confident77.9Confident154 Ų15487.9 Ų87.958%0.58144%0.441SS*.Hα-helixtrans-67.9-41.2172.7178.5-174.7-60.4-178.81.4111.8V19 K20 E21 T26 N27V19-R23 WeakPolarHBondContact O-CB 3.44Å; V19-R23 PolarHBondContact O-N 2.97Å; K20-R23 CarbonylContact O-C 3.51Å; K20-R23 PolarHBondContact O-N 3.32Å; E21-R23 VanDerWaalsContact C-N 3.34Å; R23-T26 PolarHBondContact O-N 2.98Å; R23-N27 WeakPolarHBondContact O-CB 3.38Å; R23-N27 PolarHBondContact O-N 3.09Å; R23-N27 PolarHBondContact O-ND2 3.37Å; R23-N27 VanDerWaalsContact O-ND2 3.15Å
24D84.4Confident78.4Confident79 Ų7988.6 Ų88.642%0.42245%0.449SS..Hα-helixtrans-72-36.4-178.8-71.7-14.2000110.2K20 E21 N27 A28K20-D24 WeakPolarHBondContact CE-OD2 3.42Å; K20-D24 VanDerWaalsContact CG-OD2 3.3Å; K20-D24 WeakPolarHBondContact CG-OD2 3.24Å; K20-D24 WeakPolarHBondContact O-CB 3.35Å; K20-D24 PolarHBondContact O-N 3.48Å; E21-D24 PolarHBondContact O-N 2.67Å; D24-N27 PolarHBondContact O-N 3.13Å; D24-A28 VanDerWaalsContact O-CB 3.31Å; D24-A28 WeakPolarHBondContact O-CB 3.29Å; D24-A28 PolarHBondContact O-N 3.47Å
25S76.5Confident78.6Confident67 Ų6791.4 Ų91.447%0.46947%0.47SS..Hα-helixtrans-67.9-44.9169.6-177.50000111.9E21 N27 A28 L29E21-S25 WeakPolarHBondContact O-CB 3.33Å; E21-S25 PolarHBondContact O-N 2.95Å; S25-N27 VanDerWaalsContact C-N 3.31Å; S25-N27 PolarHBondContact O-N 3.17Å; S25-A28 WeakPolarHBondContact O-CB 3.45Å; S25-A28 PolarHBondContact O-N 3.38Å; S25-A28 VanDerWaalsContact O-N 3.14Å; S25-L29 WeakPolarHBondContact O-CG 3.29Å; S25-L29 PolarHBondContact O-N 2.97Å
26T77Confident78.9Confident81 Ų8192.5 Ų92.550%0.49748%0.48SS..Hα-helixtrans-61.5-40172.6-57.10000111L22 R23 L29 L30L22-T26 VanDerWaalsContact O-CB 3.22Å; L22-T26 WeakPolarHBondContact O-CB 3.42Å; L22-T26 PolarHBondContact O-N 3.14Å; L22-T26 PolarHBondContact O-OG1 2.99Å; R23-T26 PolarHBondContact O-N 2.98Å; T26-L29 PolarHBondContact O-N 3.36Å; T26-L30 VanDerWaalsContact O-CB 3.3Å; T26-L30 WeakPolarHBondContact O-CB 3.1Å; T26-L30 PolarHBondContact O-N 2.63Å
27N80.9Confident79.3Confident71 Ų7192.9 Ų92.938%0.3847%0.472SS..Hα-helixtrans-68.4-33.9174.8-72.8-24.4000112.1R23 D24 S25 K31R23-N27 WeakPolarHBondContact O-CB 3.38Å; R23-N27 PolarHBondContact O-N 3.09Å; R23-N27 PolarHBondContact O-ND2 3.37Å; R23-N27 VanDerWaalsContact O-ND2 3.15Å; D24-N27 PolarHBondContact O-N 3.13Å; S25-N27 VanDerWaalsContact C-N 3.31Å; S25-N27 PolarHBondContact O-N 3.17Å; N27-K31 WeakPolarHBondContact O-CB 3.49Å; N27-K31 VanDerWaalsContact O-CG 3.31Å; N27-K31 WeakPolarHBondContact O-CG 3.34Å; N27-K31 PolarHBondContact O-N 3.23Å
28A81.6Confident79.3Confident55 Ų5592.3 Ų92.346%0.45548%0.477SS..Hα-helixtrans-67.7-46.8174.100000110.9D24 S25 L30 K31 E32D24-A28 VanDerWaalsContact O-CB 3.31Å; D24-A28 WeakPolarHBondContact O-CB 3.29Å; D24-A28 PolarHBondContact O-N 3.47Å; S25-A28 WeakPolarHBondContact O-CB 3.45Å; S25-A28 PolarHBondContact O-N 3.38Å; S25-A28 VanDerWaalsContact O-N 3.14Å; A28-L30 VanDerWaalsContact C-N 3.32Å; A28-L30 PolarHBondContact O-N 3.04Å; A28-K31 PolarHBondContact O-N 2.94Å; A28-E32 WeakPolarHBondContact O-CB 3.39Å; A28-E32 PolarHBondContact O-N 2.93Å
29L77.2Confident79.6Confident104 Ų10496.4 Ų96.455%0.54549%0.494SS..Hα-helixtrans-63.9-34.9173.8-69.6170.8000112.3S25 T26 E32 K33S25-L29 WeakPolarHBondContact O-CG 3.29Å; S25-L29 PolarHBondContact O-N 2.97Å; T26-L29 PolarHBondContact O-N 3.36Å; L29-E32 PolarHBondContact O-N 2.88Å; L29-K33 VanDerWaalsContact O-CB 3.29Å; L29-K33 WeakPolarHBondContact O-CB 3.43Å; L29-K33 PolarHBondContact O-N 2.66Å
30L77.5Confident79.7Confident85 Ų8598.7 Ų98.745%0.44550%0.503SS..Hα-helixtrans-65.4-44.8173.3-163.482.6000110.8T26 A28 K33 E34T26-L30 VanDerWaalsContact O-CB 3.3Å; T26-L30 WeakPolarHBondContact O-CB 3.1Å; T26-L30 PolarHBondContact O-N 2.63Å; A28-L30 VanDerWaalsContact C-N 3.32Å; A28-L30 PolarHBondContact O-N 3.04Å; L30-K33 WeakPolarHBondContact O-CB 3.34Å; L30-K33 PolarHBondContact O-N 3.08Å; L30-E34 WeakPolarHBondContact O-CB 3.45Å; L30-E34 VanDerWaalsContact O-CG 3.31Å; L30-E34 WeakPolarHBondContact O-CG 3.41Å; L30-E34 PolarHBondContact O-N 3Å
31K84.4Confident79.6Confident146 Ų14697.2 Ų97.264%0.63550%0.501SS*.Hα-helixtrans-64.8-37.9174.4-76.7175.7178.5-178.70112.9N27 A28 E34 S35N27-K31 WeakPolarHBondContact O-CB 3.49Å; N27-K31 VanDerWaalsContact O-CG 3.31Å; N27-K31 WeakPolarHBondContact O-CG 3.34Å; N27-K31 PolarHBondContact O-N 3.23Å; A28-K31 PolarHBondContact O-N 2.94Å; K31-E34 PolarHBondContact O-N 3.4Å; K31-S35 VanDerWaalsContact O-CB 3.28Å; K31-S35 WeakPolarHBondContact O-CB 3.28Å; K31-S35 PolarHBondContact O-N 2.91Å
32E82.9Confident79.5Confident113 Ų11396.3 Ų96.353%0.52850%0.503SS..Hα-helixtrans-66-43175.1-172.8174.7-172.800110.4A28 L29 S35 L36A28-E32 WeakPolarHBondContact O-CB 3.39Å; A28-E32 PolarHBondContact O-N 2.93Å; L29-E32 PolarHBondContact O-N 2.88Å; E32-S35 WeakPolarHBondContact O-CB 3.45Å; E32-S35 PolarHBondContact O-N 3.23Å; E32-L36 HydrophobicContact CG-CD1 4.17Å; E32-L36 WeakPolarHBondContact O-CB 3.32Å; E32-L36 VanDerWaalsContact O-CG 3.32Å; E32-L36 WeakPolarHBondContact O-CG 3.25Å; E32-L36 PolarHBondContact O-N 3.19Å
33K82.4Confident79.6Confident144 Ų14496.3 Ų96.363%0.62650%0.498SS*.Hα-helixtrans-60.3-44.6171.5-177.4-170.5175.5-172.70112.2L29 L30 S35 Q37L29-K33 VanDerWaalsContact O-CB 3.29Å; L29-K33 WeakPolarHBondContact O-CB 3.43Å; L29-K33 PolarHBondContact O-N 2.66Å; L30-K33 WeakPolarHBondContact O-CB 3.34Å; L30-K33 PolarHBondContact O-N 3.08Å; K33-S35 VanDerWaalsContact C-N 3.35Å; K33-Q37 VanDerWaalsContact O-CB 3.24Å; K33-Q37 WeakPolarHBondContact O-CB 3.39Å; K33-Q37 PolarHBondContact O-N 3.28Å
34E85.2Confident79.5Confident116 Ų11692.3 Ų92.354%0.54249%0.494SS..Hα-helixtrans-64.7-38.8176.2-74.817117400111.6L30 K31 Q37 S38L30-E34 WeakPolarHBondContact O-CB 3.45Å; L30-E34 VanDerWaalsContact O-CG 3.31Å; L30-E34 WeakPolarHBondContact O-CG 3.41Å; L30-E34 PolarHBondContact O-N 3Å; K31-E34 PolarHBondContact O-N 3.4Å; E34-Q37 PolarHBondContact O-N 2.92Å; E34-S38 WeakPolarHBondContact O-CB 3.33Å; E34-S38 PolarHBondContact O-N 2.86Å
35S84.5Confident79.4Confident69 Ų6992.4 Ų92.448%0.48350%0.499SS..Hα-helixtrans-63.6-51.3174.3-170.80000111.3K31 E32 K33 Q37 S38 E39K31-S35 VanDerWaalsContact O-CB 3.28Å; K31-S35 WeakPolarHBondContact O-CB 3.28Å; K31-S35 PolarHBondContact O-N 2.91Å; E32-S35 WeakPolarHBondContact O-CB 3.45Å; E32-S35 PolarHBondContact O-N 3.23Å; K33-S35 VanDerWaalsContact C-N 3.35Å; S35-Q37 VanDerWaalsContact C-N 3.32Å; S35-Q37 PolarHBondContact O-N 3.16Å; S35-S38 PolarHBondContact O-N 3.29Å; S35-S38 VanDerWaalsContact O-N 3.13Å; S35-S38 PolarHBondContact O-OG 3.47Å; S35-E39 PolarHBondContact O-N 2.97Å
36L79.6Confident79.3Confident87 Ų8793.8 Ų93.846%0.45550%0.5SS..Hα-helixtrans-63.4-37.3177.4-71.3170.2000111.8E32 E39 I40E32-L36 HydrophobicContact CG-CD1 4.17Å; E32-L36 WeakPolarHBondContact O-CB 3.32Å; E32-L36 VanDerWaalsContact O-CG 3.32Å; E32-L36 WeakPolarHBondContact O-CG 3.25Å; E32-L36 PolarHBondContact O-N 3.19Å; L36-E39 PolarHBondContact O-N 3.17Å; L36-I40 WeakPolarHBondContact O-CB 3.26Å; L36-I40 VanDerWaalsContact O-CG1 3.25Å; L36-I40 WeakPolarHBondContact O-CG1 3.42Å; L36-I40 PolarHBondContact O-N 2.79Å
37Q77.2Confident79.3Confident92 Ų9296.2 Ų96.243%0.4350%0.503SS..Hα-helixtrans-63.5-43.5172.5-174.862.258.500110.8K33 E34 S35 E39 I40 D41K33-Q37 VanDerWaalsContact O-CB 3.24Å; K33-Q37 WeakPolarHBondContact O-CB 3.39Å; K33-Q37 PolarHBondContact O-N 3.28Å; E34-Q37 PolarHBondContact O-N 2.92Å; S35-Q37 VanDerWaalsContact C-N 3.32Å; S35-Q37 PolarHBondContact O-N 3.16Å; Q37-E39 VanDerWaalsContact C-N 3.3Å; Q37-E39 PolarHBondContact O-N 3.4Å; Q37-I40 PolarHBondContact O-N 2.89Å; Q37-D41 PolarHBondContact NE2-OD1 3.17Å; Q37-D41 WeakPolarHBondContact O-CB 3.3Å; Q37-D41 PolarHBondContact O-N 3.31Å
38S81.9Confident79.4Confident64 Ų6494.5 Ų94.545%0.44850%0.499SS..Hα-helixtrans-63.9-35.6176.178.30000112.3E34 S35 D41 T42E34-S38 WeakPolarHBondContact O-CB 3.33Å; E34-S38 PolarHBondContact O-N 2.86Å; S35-S38 PolarHBondContact O-N 3.29Å; S35-S38 VanDerWaalsContact O-N 3.13Å; S35-S38 PolarHBondContact O-OG 3.47Å; S38-D41 PolarHBondContact O-N 3.15Å; S38-T42 WeakPolarHBondContact O-CG2 3.27Å; S38-T42 PolarHBondContact O-N 2.79Å
39E81.1Confident79.2Confident100 Ų10094.4 Ų94.447%0.46750%0.496SS..Hα-helixtrans-67.2-46175-164.6177.2176.100111S35 L36 Q37 D41 T42 F43S35-E39 PolarHBondContact O-N 2.97Å; L36-E39 PolarHBondContact O-N 3.17Å; Q37-E39 VanDerWaalsContact C-N 3.3Å; Q37-E39 PolarHBondContact O-N 3.4Å; E39-D41 VanDerWaalsContact C-N 3.27Å; E39-D41 PolarHBondContact O-N 3.11Å; E39-T42 PolarHBondContact O-N 3.42Å; E39-T42 PolarHBondContact O-OG1 3.44Å; E39-F43 HydrophobicContact CG-CE2 4.04Å; E39-F43 WeakPolarHBondContact O-CD2 3.29Å; E39-F43 PolarHBondContact O-N 2.92Å
40I71.8Confident79Confident103 Ų10392.9 Ų92.953%0.52849%0.492SS..Hα-helixtrans-56.4-42.1170.6-70.5164.8000111L36 Q37 T42 F43 S44L36-I40 WeakPolarHBondContact O-CB 3.26Å; L36-I40 VanDerWaalsContact O-CG1 3.25Å; L36-I40 WeakPolarHBondContact O-CG1 3.42Å; L36-I40 PolarHBondContact O-N 2.79Å; Q37-I40 PolarHBondContact O-N 2.89Å; I40-T42 VanDerWaalsContact C-N 3.32Å; I40-T42 PolarHBondContact O-N 3.43Å; I40-F43 WeakPolarHBondContact O-CA 3.3Å; I40-F43 WeakPolarHBondContact O-CB 3.43Å; I40-F43 PolarHBondContact O-N 3.32Å; I40-S44 PolarHBondContact O-N 3.31Å
41D77.5Confident79.3Confident88 Ų8893.6 Ų93.647%0.47149%0.493SS..Hα-helixtrans-67.5-30.9177.6-66.1-16.9000111.6Q37 S38 E39 F43 S44 P45Q37-D41 PolarHBondContact NE2-OD1 3.17Å; Q37-D41 WeakPolarHBondContact O-CB 3.3Å; Q37-D41 PolarHBondContact O-N 3.31Å; S38-D41 PolarHBondContact O-N 3.15Å; E39-D41 VanDerWaalsContact C-N 3.27Å; E39-D41 PolarHBondContact O-N 3.11Å; D41-F43 VanDerWaalsContact C-N 3.28Å; D41-F43 PolarHBondContact O-N 3.46Å; D41-S44 WeakPolarHBondContact O-CB 3.44Å; D41-S44 PolarHBondContact O-N 3.21Å; D41-S44 VanDerWaalsContact O-N 3.09Å; D41-P45 WeakPolarHBondContact O-CD 3.42Å
42T80.5Confident79.3Confident91 Ų9194.5 Ų94.556%0.55849%0.493SS*.Hα-helixtrans-68.5-23.3169.265.10000113.9S38 E39 I40 P45S38-T42 WeakPolarHBondContact O-CG2 3.27Å; S38-T42 PolarHBondContact O-N 2.79Å; E39-T42 PolarHBondContact O-N 3.42Å; E39-T42 PolarHBondContact O-OG1 3.44Å; I40-T42 VanDerWaalsContact C-N 3.32Å; I40-T42 PolarHBondContact O-N 3.43Å; T42-P45 WeakPolarHBondContact O-CD 3.32Å
43F72.9Confident78.9Confident113 Ų11392.5 Ų92.550%0.49649%0.492SS..Hα-helixtrans-78.8-16.7168.9-68.3-70.6000113E39 I40 D41 I46 K47E39-F43 HydrophobicContact CG-CE2 4.04Å; E39-F43 WeakPolarHBondContact O-CD2 3.29Å; E39-F43 PolarHBondContact O-N 2.92Å; I40-F43 WeakPolarHBondContact O-CA 3.3Å; I40-F43 WeakPolarHBondContact O-CB 3.43Å; I40-F43 PolarHBondContact O-N 3.32Å; D41-F43 VanDerWaalsContact C-N 3.28Å; D41-F43 PolarHBondContact O-N 3.46Å; F43-I46 HydrophobicContact CD1-CD1 3.96Å; F43-I46 HydrophobicContact CE1-CD1 4.45Å; F43-I46 WeakPolarHBondContact O-CA 3.46Å; F43-I46 WeakPolarHBondContact O-CB 3.17Å; F43-I46 PolarHBondContact O-N 3.09Å; F43-K47 PolarHBondContact O-N 2.92Å
44S73.1Confident78.5Confident70 Ų7089.7 Ų89.749%0.4949%0.489SS..Hα-helixtrans-60.7-44.8-179.9-172.20000113.5I40 D41 I46 K47 A48I40-S44 PolarHBondContact O-N 3.31Å; D41-S44 WeakPolarHBondContact O-CB 3.44Å; D41-S44 PolarHBondContact O-N 3.21Å; D41-S44 VanDerWaalsContact O-N 3.09Å; S44-I46 VanDerWaalsContact C-N 3.3Å; S44-I46 PolarHBondContact O-N 2.97Å; S44-K47 PolarHBondContact O-N 3.17Å; S44-A48 WeakPolarHBondContact O-CB 3.44Å; S44-A48 PolarHBondContact O-N 3.21Å
45P81Confident78.4Confident82 Ų8287.8 Ų87.853%0.53249%0.488SS..Hα-helixtrans-59.6-34.4169.3-25.934.1000114.4D41 T42 S49D41-P45 WeakPolarHBondContact O-CD 3.42Å; T42-P45 WeakPolarHBondContact O-CD 3.32Å; P45-S49 VanDerWaalsContact O-CB 3.31Å; P45-S49 WeakPolarHBondContact O-CB 3.45Å; P45-S49 PolarHBondContact O-N 3.23Å
46I75.2Confident78.2Confident95 Ų9588 Ų8849%0.48749%0.49SS..Hα-helixtrans-69.6-48.3178.1-62.4173000109.3F43 S44 A48 S49 C50F43-I46 HydrophobicContact CD1-CD1 3.96Å; F43-I46 HydrophobicContact CE1-CD1 4.45Å; F43-I46 WeakPolarHBondContact O-CA 3.46Å; F43-I46 WeakPolarHBondContact O-CB 3.17Å; F43-I46 PolarHBondContact O-N 3.09Å; S44-I46 VanDerWaalsContact C-N 3.3Å; S44-I46 PolarHBondContact O-N 2.97Å; I46-A48 PolarHBondContact O-N 3.23Å; I46-S49 CarbonylContact O-C 3.58Å; I46-S49 WeakPolarHBondContact O-CA 3.49Å; I46-S49 VanDerWaalsContact O-CB 3.32Å; I46-S49 WeakPolarHBondContact O-CB 3.28Å; I46-S49 PolarHBondContact O-N 2.93Å; I46-C50 PolarHBondContact O-N 3.08Å; I46-C50 PolarHBondContact O-SG 2.84Å; I46-C50 VanDerWaalsContact O-SG 3.4Å
47K77.7Confident77.9Confident132 Ų13290.5 Ų90.557%0.57450%0.497SS*.Hα-helixtrans-53.5-51.4172178.3177.3171.8178.70111.1F43 S44 S49 C50 E51F43-K47 PolarHBondContact O-N 2.92Å; S44-K47 PolarHBondContact O-N 3.17Å; K47-S49 PolarHBondContact O-N 3.32Å; K47-C50 PolarHBondContact O-N 3.07Å; K47-C50 VanDerWaalsContact O-N 3.17Å; K47-E51 WeakPolarHBondContact CE-OE1 3.16Å; K47-E51 HydrophobicContact CG-CG 4.44Å; K47-E51 IonicContact NZ-OE1 2.73Å; K47-E51 WeakPolarHBondContact O-CB 3.5Å; K47-E51 WeakPolarHBondContact O-CG 3.44Å; K47-E51 PolarHBondContact O-N 3.34Å
48A82.7Confident78Confident35 Ų3592.5 Ų92.529%0.28951%0.505SS..Hα-helixtrans-65-23.2177.100000113.6S44 I46 R52S44-A48 WeakPolarHBondContact O-CB 3.44Å; S44-A48 PolarHBondContact O-N 3.21Å; I46-A48 PolarHBondContact O-N 3.23Å; A48-R52 WeakPolarHBondContact O-CB 3.35Å; A48-R52 VanDerWaalsContact O-CG 3.27Å; A48-R52 WeakPolarHBondContact O-CG 3.2Å; A48-R52 PolarHBondContact O-N 3.14Å; A48-R52 PolarHBondContact O-NE 3.02Å
49S77.4Confident78Confident54 Ų5491.4 Ų91.438%0.37850%0.5SS..Hα-helixtrans-76.8-44.3171.9-165.20000111.5P45 I46 K47 R52 S53P45-S49 VanDerWaalsContact O-CB 3.31Å; P45-S49 WeakPolarHBondContact O-CB 3.45Å; P45-S49 PolarHBondContact O-N 3.23Å; I46-S49 CarbonylContact O-C 3.58Å; I46-S49 WeakPolarHBondContact O-CA 3.49Å; I46-S49 VanDerWaalsContact O-CB 3.32Å; I46-S49 WeakPolarHBondContact O-CB 3.28Å; I46-S49 PolarHBondContact O-N 2.93Å; K47-S49 PolarHBondContact O-N 3.32Å; S49-R52 PolarHBondContact O-N 3.16Å; S49-S53 WeakPolarHBondContact O-CB 3.38Å; S49-S53 PolarHBondContact O-N 2.9Å; S49-S53 PolarHBondContact O-OG 2.98Å
50C71.8Confident77.9Confident71 Ų7189.3 Ų89.348%0.4850%0.496SS..Hα-helixtrans-62.4-42.6173.7-67.90000111.9I46 K47 S53 C54I46-C50 PolarHBondContact O-N 3.08Å; I46-C50 PolarHBondContact O-SG 2.84Å; I46-C50 VanDerWaalsContact O-SG 3.4Å; K47-C50 PolarHBondContact O-N 3.07Å; K47-C50 VanDerWaalsContact O-N 3.17Å; C50-S53 PolarHBondContact O-N 3.12Å; C50-C54 WeakPolarHBondContact O-CB 3.4Å; C50-C54 PolarHBondContact O-N 3.29Å; C50-C54 PolarHBondContact O-SG 3.34Å; C50-C54 VanDerWaalsContact O-SG 3.37Å
51E83.5Confident77.9Confident100 Ų10088.9 Ų88.947%0.46749%0.494SS..Hα-helixtrans-64.3-42.8175.8-74170.7171.200112K47 S53 S55K47-E51 WeakPolarHBondContact CE-OE1 3.16Å; K47-E51 HydrophobicContact CG-CG 4.44Å; K47-E51 IonicContact NZ-OE1 2.73Å; K47-E51 WeakPolarHBondContact O-CB 3.5Å; K47-E51 WeakPolarHBondContact O-CG 3.44Å; K47-E51 PolarHBondContact O-N 3.34Å; E51-S53 VanDerWaalsContact C-N 3.35Å; E51-S55 VanDerWaalsContact O-CB 3.26Å; E51-S55 WeakPolarHBondContact O-CB 3.35Å; E51-S55 PolarHBondContact O-N 3.46Å; E51-S55 PolarHBondContact O-OG 3.22Å
52R84.5Confident77.9Confident166 Ų16688.3 Ų88.363%0.62650%0.497SS*.Hα-helixtrans-63.4-39.5171.9-80.7-179.7-69159.1-2.2112.3A48 S49 S55 S56A48-R52 WeakPolarHBondContact O-CB 3.35Å; A48-R52 VanDerWaalsContact O-CG 3.27Å; A48-R52 WeakPolarHBondContact O-CG 3.2Å; A48-R52 PolarHBondContact O-N 3.14Å; A48-R52 PolarHBondContact O-NE 3.02Å; S49-R52 PolarHBondContact O-N 3.16Å; R52-S55 PolarHBondContact O-N 3.03Å; R52-S56 VanDerWaalsContact O-CB 3.31Å; R52-S56 WeakPolarHBondContact O-CB 3.37Å; R52-S56 PolarHBondContact O-N 3.15Å
53S75.4Confident77.8Confident71 Ų7194 Ų9450%0.49751%0.508SS..Hα-helixtrans-67.9-45178.8-58.10000111.4S49 C50 E51 S55 S56 F57S49-S53 WeakPolarHBondContact O-CB 3.38Å; S49-S53 PolarHBondContact O-N 2.9Å; S49-S53 PolarHBondContact O-OG 2.98Å; C50-S53 PolarHBondContact O-N 3.12Å; E51-S53 VanDerWaalsContact C-N 3.35Å; S53-S55 VanDerWaalsContact C-N 3.35Å; S53-S55 PolarHBondContact O-N 2.99Å; S53-S56 PolarHBondContact O-N 3.37Å; S53-F57 WeakPolarHBondContact O-CB 3.49Å; S53-F57 PolarHBondContact O-N 2.87Å
54C73.3Confident77.5Confident84 Ų8494.3 Ų94.357%0.56852%0.515SS*.Hα-helixtrans-61.2-41.5172-73.80000111.9C50 F57 K58C50-C54 WeakPolarHBondContact O-CB 3.4Å; C50-C54 PolarHBondContact O-N 3.29Å; C50-C54 PolarHBondContact O-SG 3.34Å; C50-C54 VanDerWaalsContact O-SG 3.37Å; C54-F57 PolarHBondContact O-N 3.18Å; C54-K58 VanDerWaalsContact O-CB 3.29Å; C54-K58 WeakPolarHBondContact O-CB 3.22Å; C54-K58 PolarHBondContact O-N 3.13Å
55S84.3Confident76.9Confident76 Ų7699.1 Ų99.153%0.53153%0.527SS..Hα-helixtrans-65.7-41.7177.2-60.70000111.9E51 R52 S53 K58 A59E51-S55 VanDerWaalsContact O-CB 3.26Å; E51-S55 WeakPolarHBondContact O-CB 3.35Å; E51-S55 PolarHBondContact O-N 3.46Å; E51-S55 PolarHBondContact O-OG 3.22Å; R52-S55 PolarHBondContact O-N 3.03Å; S53-S55 VanDerWaalsContact C-N 3.35Å; S53-S55 PolarHBondContact O-N 2.99Å; S55-K58 PolarHBondContact O-N 3.16Å; S55-A59 WeakPolarHBondContact O-CB 3.39Å; S55-A59 PolarHBondContact O-N 2.79Å
56S80.4Confident76.1Confident74 Ų7498.9 Ų98.952%0.51753%0.525SS..Hα-helixtrans-63.8-41.8174.3-172.80000111.9R52 S53 A59 S60R52-S56 VanDerWaalsContact O-CB 3.31Å; R52-S56 WeakPolarHBondContact O-CB 3.37Å; R52-S56 PolarHBondContact O-N 3.15Å; S53-S56 PolarHBondContact O-N 3.37Å; S56-A59 CarbonylContact O-C 3.29Å; S56-A59 PolarHBondContact O-N 3.47Å; S56-S60 WeakPolarHBondContact O-CB 3.33Å; S56-S60 PolarHBondContact O-N 2.89Å; S56-S60 PolarHBondContact O-OG 3.43Å
57F72.1Confident75.5Confident139 Ų13999.9 Ų99.961%0.6154%0.538SS*.Hα-helixtrans-65.4-45.7175-176.3-108.8000111.9S53 C54 A59 S60 L61S53-F57 WeakPolarHBondContact O-CB 3.49Å; S53-F57 PolarHBondContact O-N 2.87Å; C54-F57 PolarHBondContact O-N 3.18Å; F57-A59 VanDerWaalsContact C-N 3.31Å; F57-A59 PolarHBondContact O-N 3.15Å; F57-S60 WeakPolarHBondContact O-CB 3.38Å; F57-S60 PolarHBondContact O-N 3.47Å; F57-L61 HydrophobicContact CD1-CD1 3.83Å; F57-L61 HydrophobicContact CE1-CD1 3.43Å; F57-L61 VanDerWaalsContact CE1-CD1 3.43Å; F57-L61 HydrophobicContact CE1-CG 4.19Å; F57-L61 HydrophobicContact CZ-CD1 3.92Å; F57-L61 HydrophobicContact CZ-CG 4.25Å; F57-L61 PolarHBondContact O-N 3.47Å
58K78.9Confident74.8Confident135 Ų13598.9 Ų98.959%0.58755%0.545SS*.Hα-helixtrans-60.6-38.8173.8-166.8173.9-175.6176.80111.5C54 S55 S60 S62C54-K58 VanDerWaalsContact O-CB 3.29Å; C54-K58 WeakPolarHBondContact O-CB 3.22Å; C54-K58 PolarHBondContact O-N 3.13Å; S55-K58 PolarHBondContact O-N 3.16Å; K58-S60 VanDerWaalsContact C-N 3.32Å; K58-S62 PolarHBondContact O-N 2.97Å; K58-S62 PolarHBondContact O-OG 3.31Å
59A82.3Confident73.5Confident41 Ų41104 Ų10434%0.33957%0.567SS.*Hα-helixtrans-73.4-18.5174.200000114.2S55 S56 F57 S62 R63S55-A59 WeakPolarHBondContact O-CB 3.39Å; S55-A59 PolarHBondContact O-N 2.79Å; S56-A59 CarbonylContact O-C 3.29Å; S56-A59 PolarHBondContact O-N 3.47Å; F57-A59 VanDerWaalsContact C-N 3.31Å; F57-A59 PolarHBondContact O-N 3.15Å; A59-S62 WeakPolarHBondContact CA-OG 3.46Å; A59-S62 PolarHBondContact O-OG 2.9Å; A59-R63 WeakPolarHBondContact O-CG 3.47Å; A59-R63 PolarHBondContact O-NE 2.93Å
60S78.9Confident72.4Confident56 Ų56109 Ų10939%0.39259%0.59SS.*Hα-helixtrans-85.9-41.9172.8-58.70000110.6S56 F57 K58 S62 R63 L64S56-S60 WeakPolarHBondContact O-CB 3.33Å; S56-S60 PolarHBondContact O-N 2.89Å; S56-S60 PolarHBondContact O-OG 3.43Å; F57-S60 WeakPolarHBondContact O-CB 3.38Å; F57-S60 PolarHBondContact O-N 3.47Å; K58-S60 VanDerWaalsContact C-N 3.32Å; S60-S62 VanDerWaalsContact C-N 3.31Å; S60-S62 PolarHBondContact O-N 3.41Å; S60-R63 WeakPolarHBondContact O-CB 3.4Å; S60-R63 PolarHBondContact O-N 3.29Å; S60-R63 VanDerWaalsContact O-N 3.14Å; S60-L64 PolarHBondContact O-N 3.01Å; S60-L64 VanDerWaalsContact O-N 3.11Å
61L72.6Confident71.5Confident94 Ų94114 Ų11449%0.49260%0.603SS.*Hα-helixtrans-58.7-39170.6-79.8171.6000112.6F57 R63 L64F57-L61 HydrophobicContact CD1-CD1 3.83Å; F57-L61 HydrophobicContact CE1-CD1 3.43Å; F57-L61 VanDerWaalsContact CE1-CD1 3.43Å; F57-L61 HydrophobicContact CE1-CG 4.19Å; F57-L61 HydrophobicContact CZ-CD1 3.92Å; F57-L61 HydrophobicContact CZ-CG 4.25Å; F57-L61 PolarHBondContact O-N 3.47Å; L61-R63 VanDerWaalsContact C-N 3.31Å; L61-R63 PolarHBondContact O-N 3.39Å; L61-L64 HydrophobicContact CD2-CD1 4.49Å; L61-L64 WeakPolarHBondContact O-CB 3.09Å; L61-L64 PolarHBondContact O-N 3.24Å; L61-L64 VanDerWaalsContact O-N 3.15Å
62S78.3Confident70.1Confident76 Ų76116.8 Ų116.853%0.53162%0.62SS.*THydrogen-bonded Turntrans-71.2-23.5176.964.90000113.7K58 A59 S60 K65K58-S62 PolarHBondContact O-N 2.97Å; K58-S62 PolarHBondContact O-OG 3.31Å; A59-S62 WeakPolarHBondContact CA-OG 3.46Å; A59-S62 PolarHBondContact O-OG 2.9Å; S60-S62 VanDerWaalsContact C-N 3.31Å; S60-S62 PolarHBondContact O-N 3.41Å; S62-K65 PolarHBondContact O-N 3.22Å
63R78.3Confident68.6Low210 Ų210118.4 Ų118.479%0.79263%0.628SS**THydrogen-bonded Turntrans-76.5-24.9168.6-67.1173.3-158.3-142.85112.7A59 S60 L61 K65A59-R63 WeakPolarHBondContact O-CG 3.47Å; A59-R63 PolarHBondContact O-NE 2.93Å; S60-R63 WeakPolarHBondContact O-CB 3.4Å; S60-R63 PolarHBondContact O-N 3.29Å; S60-R63 VanDerWaalsContact O-N 3.14Å; L61-R63 VanDerWaalsContact C-N 3.31Å; L61-R63 PolarHBondContact O-N 3.39Å; R63-K65 PolarHBondContact O-N 3.04Å; R63-K65 VanDerWaalsContact O-N 3.15Å
64L65.2Low67.4Low120 Ų120121.4 Ų121.463%0.62864%0.643SS**THydrogen-bonded Turntrans-76.219.6169.2-68.3169.2000113.1S60 L61 P66 R80S60-L64 PolarHBondContact O-N 3.01Å; S60-L64 VanDerWaalsContact O-N 3.11Å; L61-L64 HydrophobicContact CD2-CD1 4.49Å; L61-L64 WeakPolarHBondContact O-CB 3.09Å; L61-L64 PolarHBondContact O-N 3.24Å; L61-L64 VanDerWaalsContact O-N 3.15Å; L64-P66 WeakPolarHBondContact O-CD 3.48Å; L64-P66 VanDerWaalsContact O-N 3.17Å; L64-R80 PolarHBondContact O-NH2 2.9Å
65K61.1Low66.6Low171 Ų171122 Ų12274%0.74365%0.648SS**PPolyproline II helixtrans-54.8119.7159-99.6-172.6173.2-1770107.5S62 R63S62-K65 PolarHBondContact O-N 3.22Å; R63-K65 PolarHBondContact O-N 3.04Å; R63-K65 VanDerWaalsContact O-N 3.15Å
66P64Low65.3Low77 Ų77122.8 Ų122.850%0.565%0.651SS.*PPolyproline II helixtrans-59.9146.3175.427.4-32.8000108.4L64L64-P66 WeakPolarHBondContact O-CD 3.48Å; L64-P66 VanDerWaalsContact O-N 3.17Å
67P62.7Low64.2Low115 Ų115124.1 Ų124.175%0.74765%0.652SS**PPolyproline II helixtrans-54.2132.517323.5-32.7000108.7
68P62.5Low63.7Low111 Ų111124.6 Ų124.672%0.72166%0.66SS**SBendtrans-62.8145.1170.329.5-33.5000108.2
69D56.3Low63.1Low142 Ų142124.9 Ų124.976%0.75966%0.663SS**  trans59.887.8172.5-52.5-49.6000115.4
70D53.4Low62.4Low160 Ų160128.7 Ų128.786%0.85667%0.669SS**  -143.5142.9106-130-26.4000113.4
71K53.1Low62.2Low176 Ų176130.2 Ų130.277%0.76567%0.673SS**  trans-86119.3-170.8-64.9156.5-177.3162.30109.3
72L54.3Low62.3Low158 Ų158134.9 Ų134.983%0.82768%0.684SS**  trans-178.6151.9145.7-98.7152.7000111.8
73Y52.6Low62Low200 Ų200135.8 Ų135.878%0.78468%0.682SS**  trans61.584.5174.3-81.9-86.3000119.3S75Y73-S75 PolarHBondContact O-N 2.85Å
74V51.3Low61.9Low135 Ų135129.3 Ų129.382%0.81866%0.662SS**  trans-35.4123.8148.6-176.70000112.6
75S55.6Low62.5Low95 Ų95126.7 Ų126.766%0.66465%0.654SS**SBend160.1-11.7119.9-153.40000117.1Y73Y73-S75 PolarHBondContact O-N 2.85Å
76P57Low63.3Low93 Ų93127.3 Ų127.360%0.60465%0.652SS**SBendtrans-84.1-19.8169.1-14.430.3000113.9L78 E79 R80P76-L78 PolarHBondContact O-N 3.45Å; P76-E79 PolarHBondContact O-N 3.42Å; P76-E79 VanDerWaalsContact O-N 3.15Å; P76-R80 PolarHBondContact O-N 2.86Å; P76-R80 VanDerWaalsContact O-N 3.13Å
77I58.2Low63.7Low102 Ų102128.4 Ų128.452%0.52365%0.652SS.*Hα-helixtrans-64.4-38.4-169.3-62.3171.2000111.8E79 R80 D81I77-E79 PolarHBondContact O-N 2.87Å; I77-R80 PolarHBondContact O-N 3.33Å; I77-D81 PolarHBondContact O-N 2.93Å
78L61.2Low64.4Low150 Ų150129.2 Ų129.279%0.78565%0.646SS**Hα-helixtrans-62.1-30.1178.5-131.295.2000112.7P76 R82P76-L78 PolarHBondContact O-N 3.45Å; L78-R82 VanDerWaalsContact O-CB 3.25Å; L78-R82 WeakPolarHBondContact O-CB 3.35Å; L78-R82 PolarHBondContact O-N 3.21Å; L78-R82 VanDerWaalsContact O-N 3.16Å
79E66.4Low65.2Low141 Ų141129.9 Ų129.966%0.65964%0.639SS**Hα-helixtrans-81.2-39177.7-148.7165.3-138.600110.8P76 I77 D81 R82 I83P76-E79 PolarHBondContact O-N 3.42Å; P76-E79 VanDerWaalsContact O-N 3.15Å; I77-E79 PolarHBondContact O-N 2.87Å; E79-D81 PolarHBondContact O-N 3.48Å; E79-R82 PolarHBondContact O-N 3.14Å; E79-I83 HydrophobicContact CG-CD1 4.44Å; E79-I83 WeakPolarHBondContact O-CB 3.48Å; E79-I83 WeakPolarHBondContact O-CD1 3.32Å; E79-I83 VanDerWaalsContact O-CG1 3.22Å; E79-I83 WeakPolarHBondContact O-CG1 3.45Å; E79-I83 PolarHBondContact O-N 3.04Å
80R68.3Low65.8Low121 Ų121127.4 Ų127.446%0.45763%0.629SS.*Hα-helixtrans-58.4-45.8170.9-173.6179.3-178.9168.12.1111.9L64 P76 I77 I83 L84L64-R80 PolarHBondContact O-NH2 2.9Å; P76-R80 PolarHBondContact O-N 2.86Å; P76-R80 VanDerWaalsContact O-N 3.13Å; I77-R80 PolarHBondContact O-N 3.33Å; R80-I83 PolarHBondContact O-N 3.22Å; R80-L84 HydrophobicContact CG-CD1 4.03Å; R80-L84 HydrophobicContact CG-CG 4.49Å; R80-L84 WeakPolarHBondContact O-CB 3.47Å; R80-L84 WeakPolarHBondContact O-CG 3.36Å; R80-L84 PolarHBondContact O-N 3.36Å
81D74.7Confident66.7Low87 Ų87121.2 Ų121.247%0.46560%0.601SS.*Hα-helixtrans-69.4-35.9179.5-68.5-17.6000111.6I77 E79 I83 L84 S85I77-D81 PolarHBondContact O-N 2.93Å; E79-D81 PolarHBondContact O-N 3.48Å; D81-I83 VanDerWaalsContact C-N 3.35Å; D81-L84 PolarHBondContact O-N 3.22Å; D81-S85 WeakPolarHBondContact O-CB 3.42Å; D81-S85 PolarHBondContact O-N 3.35Å
82R74.8Confident67.8Low193 Ų193115.5 Ų115.573%0.72859%0.586SS**Hα-helixtrans-69.8-31.4174.7-160.8177.4-163.7-174.45.5112.6L78 E79 R86L78-R82 VanDerWaalsContact O-CB 3.25Å; L78-R82 WeakPolarHBondContact O-CB 3.35Å; L78-R82 PolarHBondContact O-N 3.21Å; L78-R82 VanDerWaalsContact O-N 3.16Å; E79-R82 PolarHBondContact O-N 3.14Å; R82-R86 WeakPolarHBondContact O-CB 3.47Å; R82-R86 PolarHBondContact O-N 3.08Å; R82-R86 VanDerWaalsContact O-N 3.17Å
83I71.6Confident68.7Low95 Ų95114.5 Ų114.549%0.48758%0.575SS.*Hα-helixtrans-72.7-47.6171.4-71164.7000110.3E79 R80 D81 S85 R86 I87E79-I83 HydrophobicContact CG-CD1 4.44Å; E79-I83 WeakPolarHBondContact O-CB 3.48Å; E79-I83 WeakPolarHBondContact O-CD1 3.32Å; E79-I83 VanDerWaalsContact O-CG1 3.22Å; E79-I83 WeakPolarHBondContact O-CG1 3.45Å; E79-I83 PolarHBondContact O-N 3.04Å; R80-I83 PolarHBondContact O-N 3.22Å; D81-I83 VanDerWaalsContact C-N 3.35Å; I83-S85 PolarHBondContact O-N 3.18Å; I83-R86 CarbonylContact O-C 3.59Å; I83-R86 WeakPolarHBondContact O-CB 3.14Å; I83-R86 PolarHBondContact O-N 3.46Å; I83-I87 HydrophobicContact CG2-CD1 3.71Å; I83-I87 HydrophobicContact CG2-CG1 4.39Å; I83-I87 VanDerWaalsContact O-CG1 3.32Å; I83-I87 WeakPolarHBondContact O-CG1 3.41Å; I83-I87 PolarHBondContact O-N 3.45Å
84L75.4Confident69.2Low74 Ų74108.5 Ų108.539%0.38756%0.561SS.*Hα-helixtrans-59.8-46.9176.8-78.3169.7000111.5R80 D81 R86 I87 E88R80-L84 HydrophobicContact CG-CD1 4.03Å; R80-L84 HydrophobicContact CG-CG 4.49Å; R80-L84 WeakPolarHBondContact O-CB 3.47Å; R80-L84 WeakPolarHBondContact O-CG 3.36Å; R80-L84 PolarHBondContact O-N 3.36Å; D81-L84 PolarHBondContact O-N 3.22Å; L84-R86 VanDerWaalsContact C-N 3.29Å; L84-R86 PolarHBondContact O-N 3.22Å; L84-I87 CarbonylContact O-C 3.57Å; L84-I87 PolarHBondContact O-N 3.11Å; L84-I87 VanDerWaalsContact O-N 3.08Å; L84-E88 WeakPolarHBondContact O-CB 3.47Å; L84-E88 WeakPolarHBondContact O-CG 3.47Å; L84-E88 PolarHBondContact O-N 2.88Å
85S78.8Confident70Confident64 Ų64106.3 Ų106.345%0.44855%0.545SS..Hα-helixtrans-66.2-29.9177.6-167.50000112.6D81 I83 Q89D81-S85 WeakPolarHBondContact O-CB 3.42Å; D81-S85 PolarHBondContact O-N 3.35Å; I83-S85 PolarHBondContact O-N 3.18Å; S85-Q89 WeakPolarHBondContact O-CB 3.44Å; S85-Q89 PolarHBondContact O-N 2.9Å
86R76.6Confident70.5Confident185 Ų185108.7 Ų108.770%0.69855%0.546SS*.Hα-helixtrans-69.1-42.4167.7-94.1179.8153.2-177.3-8112.6R82 I83 L84 E88 Q89 V90R82-R86 WeakPolarHBondContact O-CB 3.47Å; R82-R86 PolarHBondContact O-N 3.08Å; R82-R86 VanDerWaalsContact O-N 3.17Å; I83-R86 CarbonylContact O-C 3.59Å; I83-R86 WeakPolarHBondContact O-CB 3.14Å; I83-R86 PolarHBondContact O-N 3.46Å; L84-R86 VanDerWaalsContact C-N 3.29Å; L84-R86 PolarHBondContact O-N 3.22Å; R86-E88 VanDerWaalsContact C-N 3.33Å; R86-Q89 PolarHBondContact O-N 2.78Å; R86-V90 WeakPolarHBondContact O-CB 3.35Å; R86-V90 WeakPolarHBondContact O-CG2 3.48Å; R86-V90 PolarHBondContact O-N 2.82Å
87I71.9Confident70.3Confident100 Ų100107.1 Ų107.151%0.51354%0.54SS..Hα-helixtrans-64.9-39.3176.5-70.3167.5000110.3I83 L84 V90 A91I83-I87 HydrophobicContact CG2-CD1 3.71Å; I83-I87 HydrophobicContact CG2-CG1 4.39Å; I83-I87 VanDerWaalsContact O-CG1 3.32Å; I83-I87 WeakPolarHBondContact O-CG1 3.41Å; I83-I87 PolarHBondContact O-N 3.45Å; L84-I87 CarbonylContact O-C 3.57Å; L84-I87 PolarHBondContact O-N 3.11Å; L84-I87 VanDerWaalsContact O-N 3.08Å; I87-V90 PolarHBondContact O-N 3.45Å; I87-A91 VanDerWaalsContact O-CB 3.24Å; I87-A91 WeakPolarHBondContact O-CB 3.34Å; I87-A91 PolarHBondContact O-N 2.92Å
88E79Confident70Confident132 Ų132105.1 Ų105.162%0.61754%0.536SS*.Hα-helixtrans-68.3-38.7174.2-72.9176.9163.900111.9L84 R86 A91 A92L84-E88 WeakPolarHBondContact O-CB 3.47Å; L84-E88 WeakPolarHBondContact O-CG 3.47Å; L84-E88 PolarHBondContact O-N 2.88Å; R86-E88 VanDerWaalsContact C-N 3.33Å; E88-A91 PolarHBondContact O-N 2.91Å; E88-A92 WeakPolarHBondContact O-CB 3.24Å; E88-A92 PolarHBondContact O-N 3.19Å
89Q78.5Confident69.6Low124 Ų124103.6 Ų103.658%0.57953%0.532SS*.Hα-helixtrans-64.3-39.8170.1-86.3-167.9-400113S85 R86 K93S85-Q89 WeakPolarHBondContact O-CB 3.44Å; S85-Q89 PolarHBondContact O-N 2.9Å; R86-Q89 PolarHBondContact O-N 2.78Å; Q89-K93 WeakPolarHBondContact O-CB 3.39Å; Q89-K93 WeakPolarHBondContact O-CG 3.45Å; Q89-K93 PolarHBondContact O-N 3.31Å
90V69.8Low68.7Low90 Ų90103.3 Ų103.355%0.54554%0.535SS..Hα-helixtrans-68.3-43.5176.21700000110.1R86 I87 K93 C94R86-V90 WeakPolarHBondContact O-CB 3.35Å; R86-V90 WeakPolarHBondContact O-CG2 3.48Å; R86-V90 PolarHBondContact O-N 2.82Å; I87-V90 PolarHBondContact O-N 3.45Å; V90-K93 PolarHBondContact O-N 2.85Å; V90-C94 WeakPolarHBondContact O-CB 3.44Å; V90-C94 PolarHBondContact O-N 3.23Å; V90-C94 PolarHBondContact O-SG 3.48Å
91A72.4Confident67.6Low31 Ų31105.7 Ų105.726%0.25655%0.545SS..Hα-helixtrans-61.4-46174.900000111.6I87 E88 K93 C94 D95I87-A91 VanDerWaalsContact O-CB 3.24Å; I87-A91 WeakPolarHBondContact O-CB 3.34Å; I87-A91 PolarHBondContact O-N 2.92Å; E88-A91 PolarHBondContact O-N 2.91Å; A91-K93 VanDerWaalsContact C-N 3.34Å; A91-K93 PolarHBondContact O-N 3.44Å; A91-C94 CarbonylContact O-C 3.55Å; A91-C94 PolarHBondContact O-N 3.31Å; A91-C94 VanDerWaalsContact O-N 3.16Å; A91-D95 WeakPolarHBondContact O-CB 3.41Å; A91-D95 VanDerWaalsContact O-CG 3.24Å; A91-D95 PolarHBondContact O-N 2.8Å
92A75.8Confident66Low55 Ų55106.9 Ų106.946%0.45555%0.552SS.*Hα-helixtrans-61.3-40.5175.700000112E88 D95 E96E88-A92 WeakPolarHBondContact O-CB 3.24Å; E88-A92 PolarHBondContact O-N 3.19Å; A92-D95 PolarHBondContact O-N 3.33Å; A92-E96 WeakPolarHBondContact O-CB 3.47Å; A92-E96 PolarHBondContact O-N 3.17Å
93K73.7Confident64.7Low137 Ų137107 Ų10760%0.59656%0.558SS**Hα-helixtrans-68.8-34.2173.6-76.7-179.1174.1-171.80113.2Q89 V90 A91 A97Q89-K93 WeakPolarHBondContact O-CB 3.39Å; Q89-K93 WeakPolarHBondContact O-CG 3.45Å; Q89-K93 PolarHBondContact O-N 3.31Å; V90-K93 PolarHBondContact O-N 2.85Å; A91-K93 VanDerWaalsContact C-N 3.34Å; A91-K93 PolarHBondContact O-N 3.44Å; K93-A97 WeakPolarHBondContact O-CB 3.46Å; K93-A97 PolarHBondContact O-N 3.48Å
94C61.5Low63.7Low74 Ų74106.7 Ų106.750%0.556%0.564SS.*Hα-helixtrans-69-39.6172.7-73.10000111.4V90 A91 A97 S98V90-C94 WeakPolarHBondContact O-CB 3.44Å; V90-C94 PolarHBondContact O-N 3.23Å; V90-C94 PolarHBondContact O-SG 3.48Å; A91-C94 CarbonylContact O-C 3.55Å; A91-C94 PolarHBondContact O-N 3.31Å; A91-C94 VanDerWaalsContact O-N 3.16Å; C94-A97 PolarHBondContact O-N 2.86Å; C94-S98 VanDerWaalsContact O-CB 3.27Å; C94-S98 WeakPolarHBondContact O-CB 3.45Å; C94-S98 PolarHBondContact O-N 2.92Å
95D68.8Low62.3Low90 Ų90107.2 Ų107.248%0.48158%0.579SS.*Hα-helixtrans-68.9-43.3176.6-68.2-20.2000110A91 A92 A97 S98 V99A91-D95 WeakPolarHBondContact O-CB 3.41Å; A91-D95 VanDerWaalsContact O-CG 3.24Å; A91-D95 PolarHBondContact O-N 2.8Å; A92-D95 PolarHBondContact O-N 3.33Å; D95-A97 PolarHBondContact O-N 3.19Å; D95-S98 WeakPolarHBondContact CA-OG 3.45Å; D95-S98 PolarHBondContact O-N 3.37Å; D95-S98 PolarHBondContact O-OG 2.96Å; D95-V99 WeakPolarHBondContact O-CG2 3.32Å; D95-V99 PolarHBondContact O-N 3.31Å; D95-V99 VanDerWaalsContact O-N 3.12Å
96E65.9Low61Low145 Ų145108 Ų10868%0.67858%0.582SS**Hα-helixtrans-62.9-37.4174.2-170171.3-130.600112.2A92A92-E96 WeakPolarHBondContact O-CB 3.47Å; A92-E96 PolarHBondContact O-N 3.17Å
97A53.1Low60Low59 Ų59105.3 Ų105.349%0.48858%0.576SS.*Hα-helixtrans-71.4-32.4169.400000113K93 C94 D95 V99K93-A97 WeakPolarHBondContact O-CB 3.46Å; K93-A97 PolarHBondContact O-N 3.48Å; C94-A97 PolarHBondContact O-N 2.86Å; D95-A97 PolarHBondContact O-N 3.19Å; A97-V99 VanDerWaalsContact C-N 3.32Å; A97-V99 PolarHBondContact O-N 2.93Å
98S51.1Low59.7Low61 Ų61105.7 Ų105.743%0.42758%0.579SS.*Hα-helixtrans-71.2-26.5-179.179.10000113.5C94 D95C94-S98 VanDerWaalsContact O-CB 3.27Å; C94-S98 WeakPolarHBondContact O-CB 3.45Å; C94-S98 PolarHBondContact O-N 2.92Å; D95-S98 WeakPolarHBondContact CA-OG 3.45Å; D95-S98 PolarHBondContact O-N 3.37Å; D95-S98 PolarHBondContact O-OG 2.96Å
99V54Low58.9Low118 Ų118103.5 Ų103.572%0.71558%0.579SS**Hα-helixtrans-86.1-18.2-178175.20000112.4D95 A97D95-V99 WeakPolarHBondContact O-CG2 3.32Å; D95-V99 PolarHBondContact O-N 3.31Å; D95-V99 VanDerWaalsContact O-N 3.12Å; A97-V99 VanDerWaalsContact C-N 3.32Å; A97-V99 PolarHBondContact O-N 2.93Å
100N47.2Very low58Low135 Ų135102.2 Ų102.272%0.72258%0.575SS**  trans-11954.5176.1-86.3-26.7000111.8D102N100-D102 PolarHBondContact O-N 3.41Å
101Y44.9Very low58Low170 Ų170101.1 Ų101.167%0.66757%0.569SS**  trans-72.174170-104.5-77.3000111.8
102D42Very low58Low113 Ų113103.4 Ų103.460%0.60458%0.582SS**  trans-74.4119.1154.9-168.7-32.6000107.8N100 S104N100-D102 PolarHBondContact O-N 3.41Å; D102-S104 PolarHBondContact O-N 3.27Å; D102-S104 WeakPolarHBondContact OD1-CB 3.43Å; D102-S104 PolarHBondContact OD1-N 2.96Å; D102-S104 PolarHBondContact OD1-OG 3.31Å
103F46.6Very low57.6Low196 Ų196105.9 Ų105.986%0.8659%0.586SS**THydrogen-bonded Turntrans-69.39.1-175.2-87.5-96.2000114.1
104S51.8Low57.3Low88 Ų88104.2 Ų104.262%0.61558%0.581SS**THydrogen-bonded Turntrans-97.9-10.2-179.260.80000115.3D102D102-S104 PolarHBondContact O-N 3.27Å; D102-S104 WeakPolarHBondContact OD1-CB 3.43Å; D102-S104 PolarHBondContact OD1-N 2.96Å; D102-S104 PolarHBondContact OD1-OG 3.31Å
105A44.5Very low57.9Low84 Ų84105.3 Ų105.369%0.69458%0.579SS**SBendtrans-77.5134.1175.100000111.5
106P53Low58.6Low80 Ų80108.2 Ų108.252%0.51958%0.584SS.*  trans-100.4169-132.536.3-36000116.1D108 S109P106-D108 HydrophobicContact CG-CB 4.45Å; P106-D108 PolarHBondContact O-N 2.95Å; P106-S109 PolarHBondContact O-N 3.21Å
107F55.4Low58.6Low129 Ų129107.6 Ų107.657%0.56658%0.579SS**THydrogen-bonded Turntrans-42.5-30.8175.6-167.9-102.3000114.6S109 L110 V111 L273F107-S109 PolarHBondContact O-N 3.12Å; F107-L110 WeakPolarHBondContact O-CB 3.4Å; F107-L110 PolarHBondContact O-N 2.96Å; F107-V111 HydrophobicContact CD1-CG2 3.61Å; F107-V111 HydrophobicContact CE1-CG2 3.59Å; F107-V111 HydrophobicContact CZ-CG2 4.5Å; F107-V111 PolarHBondContact O-N 3Å; F107-L273 HydrophobicContact CE2-CD2 4.04Å; F107-L273 HydrophobicContact CZ-CD2 3.68Å
108D64Low59.7Low108 Ų108109.6 Ų109.658%0.57858%0.581SS**Hα-helixtrans-52.8-34.1174.9-59.5-38.8000113.9P106 V111 S112P106-D108 HydrophobicContact CG-CB 4.45Å; P106-D108 PolarHBondContact O-N 2.95Å; D108-V111 PolarHBondContact O-N 3.32Å; D108-S112 VanDerWaalsContact O-CB 3.32Å; D108-S112 WeakPolarHBondContact O-CB 3.46Å; D108-S112 PolarHBondContact O-N 3.41Å; D108-S112 PolarHBondContact O-OG 2.93Å
109S63.6Low61Low87 Ų87110.5 Ų110.561%0.60858%0.581SS**Hα-helixtrans-72.7-29.5178.1-1650000112.4P106 F107 M113P106-S109 PolarHBondContact O-N 3.21Å; F107-S109 PolarHBondContact O-N 3.12Å; S109-M113 PolarHBondContact O-N 3.32Å
110L59Low61.9Low96 Ų96106.8 Ų106.850%0.50356%0.559SS.*Hα-helixtrans-74.1-44.4172.6-175.670.6000110.3F107 S112 M113 M114F107-L110 WeakPolarHBondContact O-CB 3.4Å; F107-L110 PolarHBondContact O-N 2.96Å; L110-S112 VanDerWaalsContact C-N 3.31Å; L110-S112 PolarHBondContact O-N 2.68Å; L110-M113 WeakPolarHBondContact O-CB 3.41Å; L110-M113 PolarHBondContact O-N 3.45Å; L110-M113 VanDerWaalsContact O-N 3.15Å; L110-M114 WeakPolarHBondContact O-CG 3.37Å; L110-M114 PolarHBondContact O-N 3.17Å
111V69.6Low62.8Low68 Ų68102.1 Ų102.141%0.41254%0.542SS..Hα-helixtrans-58-44.5175.1174.80000110.8F107 D108 M113 M114 Q115F107-V111 HydrophobicContact CD1-CG2 3.61Å; F107-V111 HydrophobicContact CE1-CG2 3.59Å; F107-V111 HydrophobicContact CZ-CG2 4.5Å; F107-V111 PolarHBondContact O-N 3Å; D108-V111 PolarHBondContact O-N 3.32Å; V111-M113 VanDerWaalsContact C-N 3.32Å; V111-M113 PolarHBondContact O-N 3.49Å; V111-M114 PolarHBondContact O-N 3.34Å; V111-Q115 WeakPolarHBondContact O-CB 3.47Å; V111-Q115 PolarHBondContact O-N 2.83Å
112S73.2Confident64.3Low78 Ų7898.8 Ų98.855%0.54554%0.536SS..Hα-helixtrans-61.1-39.1176.4-59.60000112.6D108 L110 W116D108-S112 VanDerWaalsContact O-CB 3.32Å; D108-S112 WeakPolarHBondContact O-CB 3.46Å; D108-S112 PolarHBondContact O-N 3.41Å; D108-S112 PolarHBondContact O-OG 2.93Å; L110-S112 VanDerWaalsContact C-N 3.31Å; L110-S112 PolarHBondContact O-N 2.68Å; S112-W116 PolarHBondContact O-N 2.78Å; S112-W116 VanDerWaalsContact O-N 3.07Å
113M67.7Low65.9Low108 Ų10899.8 Ų99.853%0.53254%0.537SS..Hα-helixtrans-67.5-43.5175.6-173.8-176.4-65.500111.8S109 L110 V111 W116 F117S109-M113 PolarHBondContact O-N 3.32Å; L110-M113 WeakPolarHBondContact O-CB 3.41Å; L110-M113 PolarHBondContact O-N 3.45Å; L110-M113 VanDerWaalsContact O-N 3.15Å; V111-M113 VanDerWaalsContact C-N 3.32Å; V111-M113 PolarHBondContact O-N 3.49Å; M113-W116 PolarHBondContact O-N 3.37Å; M113-F117 HydrophobicContact CG-CD2 4.13Å; M113-F117 HydrophobicContact CG-CE2 3.95Å; M113-F117 VanDerWaalsContact O-CD2 3.3Å; M113-F117 WeakPolarHBondContact O-CD2 3.35Å; M113-F117 PolarHBondContact O-N 3.08Å; M113-F117 VanDerWaalsContact O-N 3.11Å; M113-F117 HydrophobicContact SD-CE2 4.39Å
114M65.7Low66.9Low101 Ų10198.6 Ų98.650%0.49853%0.527SS..Hα-helixtrans-64.4-40.1176.9-67.1-169.68300111.9L110 V111 F117 L118L110-M114 WeakPolarHBondContact O-CG 3.37Å; L110-M114 PolarHBondContact O-N 3.17Å; V111-M114 PolarHBondContact O-N 3.34Å; M114-F117 PolarHBondContact O-N 3.39Å; M114-L118 WeakPolarHBondContact O-CG 3.49Å; M114-L118 PolarHBondContact O-N 2.93Å; M114-L118 VanDerWaalsContact O-N 3.11Å
115Q75.5Confident67.9Low97 Ų97101.2 Ų101.245%0.45352%0.523SS..Hα-helixtrans-61.2-45.8174.9-171.16248.900111.2V111 F117 L118 D119V111-Q115 WeakPolarHBondContact O-CB 3.47Å; V111-Q115 PolarHBondContact O-N 2.83Å; Q115-F117 VanDerWaalsContact C-N 3.29Å; Q115-F117 PolarHBondContact O-N 3.06Å; Q115-L118 WeakPolarHBondContact O-CB 3.4Å; Q115-L118 PolarHBondContact O-N 3.03Å; Q115-L118 VanDerWaalsContact O-N 3.08Å; Q115-D119 PolarHBondContact NE2-OD1 3.49Å; Q115-D119 PolarHBondContact O-N 3.4Å
116W83Confident69.6Low152 Ų152102.4 Ų102.458%0.57651%0.514SS*.Hα-helixtrans-59.7-36.5177178.881.8000113.2S112 M113 T120S112-W116 PolarHBondContact O-N 2.78Å; S112-W116 VanDerWaalsContact O-N 3.07Å; M113-W116 PolarHBondContact O-N 3.37Å; W116-T120 VanDerWaalsContact O-CB 3.25Å; W116-T120 WeakPolarHBondContact O-CB 3.49Å; W116-T120 PolarHBondContact O-N 3.25Å; W116-T120 PolarHBondContact O-OG1 3.16Å
117F66.2Low70.5Confident131 Ų131102 Ų10258%0.57551%0.513SS*.Hα-helixtrans-65.8-40.8173.6-87.8-68.5000112.6M113 M114 Q115 G121M113-F117 HydrophobicContact CG-CD2 4.13Å; M113-F117 HydrophobicContact CG-CE2 3.95Å; M113-F117 VanDerWaalsContact O-CD2 3.3Å; M113-F117 WeakPolarHBondContact O-CD2 3.35Å; M113-F117 PolarHBondContact O-N 3.08Å; M113-F117 VanDerWaalsContact O-N 3.11Å; M113-F117 HydrophobicContact SD-CE2 4.39Å; M114-F117 PolarHBondContact O-N 3.39Å; Q115-F117 VanDerWaalsContact C-N 3.29Å; Q115-F117 PolarHBondContact O-N 3.06Å; F117-G121 PolarHBondContact O-N 2.9Å
118L75.3Confident71.2Confident102 Ų10298.8 Ų98.853%0.53450%0.5SS..Hα-helixtrans-64.5-50.5175.7-67.8170.7000111M114 Q115 T120 G121 D122M114-L118 WeakPolarHBondContact O-CG 3.49Å; M114-L118 PolarHBondContact O-N 2.93Å; M114-L118 VanDerWaalsContact O-N 3.11Å; Q115-L118 WeakPolarHBondContact O-CB 3.4Å; Q115-L118 PolarHBondContact O-N 3.03Å; Q115-L118 VanDerWaalsContact O-N 3.08Å; L118-T120 VanDerWaalsContact C-N 3.26Å; L118-T120 PolarHBondContact O-N 2.94Å; L118-G121 WeakPolarHBondContact O-CA 3.46Å; L118-G121 PolarHBondContact O-N 3.4Å; L118-D122 PolarHBondContact O-N 3.49Å
119D78.2Confident71.7Confident79 Ų7999.4 Ų99.442%0.42250%0.499SS..Hα-helixtrans-58.7-38.9178.8-60.9-13.9000111.6Q115 H123Q115-D119 PolarHBondContact NE2-OD1 3.49Å; Q115-D119 PolarHBondContact O-N 3.4Å; D119-H123 WeakPolarHBondContact O-CB 3.32Å; D119-H123 PolarHBondContact O-N 3.45Å
120T73Confident72.5Confident40 Ų4098.1 Ų98.125%0.24549%0.494CS..Hα-helixtrans-69.2-36.7176-59.50000112W116 L118 R124W116-T120 VanDerWaalsContact O-CB 3.25Å; W116-T120 WeakPolarHBondContact O-CB 3.49Å; W116-T120 PolarHBondContact O-N 3.25Å; W116-T120 PolarHBondContact O-OG1 3.16Å; L118-T120 VanDerWaalsContact C-N 3.26Å; L118-T120 PolarHBondContact O-N 2.94Å; T120-R124 WeakPolarHBondContact O-CG 3.46Å; T120-R124 PolarHBondContact O-N 2.87Å; T120-R124 VanDerWaalsContact O-N 3.14Å
121G67.5Low73.1Confident37 Ų3794.8 Ų94.838%0.38148%0.479SS..Hα-helixtrans-63.6-49.4173.900000112F117 L118 H123 R124 W125F117-G121 PolarHBondContact O-N 2.9Å; L118-G121 WeakPolarHBondContact O-CA 3.46Å; L118-G121 PolarHBondContact O-N 3.4Å; G121-H123 PolarHBondContact O-N 2.87Å; G121-R124 PolarHBondContact O-N 3.39Å; G121-W125 PolarHBondContact O-N 3.4Å
122D75.4Confident73.2Confident100 Ų10097.9 Ų97.954%0.53549%0.487SS..Hα-helixtrans-61.3-41.5177.5-85.81.6000112L118 R124 W125 Q126L118-D122 PolarHBondContact O-N 3.49Å; D122-R124 PolarHBondContact O-N 2.88Å; D122-W125 PolarHBondContact O-N 3.49Å; D122-Q126 WeakPolarHBondContact O-CG 3.37Å; D122-Q126 PolarHBondContact O-N 2.77Å
123H74.9Confident73.6Confident134 Ų13495.6 Ų95.662%0.6248%0.475SS*.Hα-helixtrans-63-40.1175.2-101.5-43.4000113.1D119 G121 S127D119-H123 WeakPolarHBondContact O-CB 3.32Å; D119-H123 PolarHBondContact O-N 3.45Å; G121-H123 PolarHBondContact O-N 2.87Å; H123-S127 WeakPolarHBondContact O-CB 3.22Å; H123-S127 PolarHBondContact O-N 3.36Å; H123-S127 VanDerWaalsContact O-N 3.08Å
124R68.4Low74.2Confident171 Ų17195.2 Ų95.265%0.64547%0.474SS*.Hα-helixtrans-65.4-44.2173.7-73.7-176.8-177.6-150.31.1111.4T120 G121 D122 Q126 S127 H128T120-R124 WeakPolarHBondContact O-CG 3.46Å; T120-R124 PolarHBondContact O-N 2.87Å; T120-R124 VanDerWaalsContact O-N 3.14Å; G121-R124 PolarHBondContact O-N 3.39Å; D122-R124 PolarHBondContact O-N 2.88Å; R124-Q126 PolarHBondContact O-N 3.05Å; R124-S127 WeakPolarHBondContact O-CB 3.24Å; R124-S127 PolarHBondContact O-N 3.2Å; R124-S127 VanDerWaalsContact O-N 3.16Å; R124-H128 PolarHBondContact O-CD2 3.15Å; R124-H128 PolarHBondContact O-N 3.48Å
125W72.8Confident74.4Confident143 Ų14394.2 Ų94.254%0.54247%0.471SS..Hα-helixtrans-58.3-47.5177.3176.3-107000112.2G121 D122 S127 H128 Q129G121-W125 PolarHBondContact O-N 3.4Å; D122-W125 PolarHBondContact O-N 3.49Å; W125-S127 VanDerWaalsContact C-N 3.31Å; W125-S127 PolarHBondContact O-N 2.93Å; W125-H128 PolarHBondContact O-N 2.82Å; W125-Q129 WeakPolarHBondContact O-CB 3.32Å; W125-Q129 PolarHBondContact O-N 2.7Å
126Q79.8Confident74.6Confident109 Ų10993.9 Ų93.951%0.50947%0.472SS..Hα-helixtrans-61-38.6175.4-70.2174.317.100112.3D122 R124 Q129 A130D122-Q126 WeakPolarHBondContact O-CG 3.37Å; D122-Q126 PolarHBondContact O-N 2.77Å; R124-Q126 PolarHBondContact O-N 3.05Å; Q126-Q129 PolarHBondContact O-N 3.08Å; Q126-A130 WeakPolarHBondContact O-CB 3.46Å; Q126-A130 PolarHBondContact O-N 3.49Å
127S71.7Confident74.7Confident71 Ų7194 Ų9450%0.49748%0.476SS..Hα-helixtrans-64.4-42.7175.7-173.30000112.4H123 R124 W125 A130 S131H123-S127 WeakPolarHBondContact O-CB 3.22Å; H123-S127 PolarHBondContact O-N 3.36Å; H123-S127 VanDerWaalsContact O-N 3.08Å; R124-S127 WeakPolarHBondContact O-CB 3.24Å; R124-S127 PolarHBondContact O-N 3.2Å; R124-S127 VanDerWaalsContact O-N 3.16Å; W125-S127 VanDerWaalsContact C-N 3.31Å; W125-S127 PolarHBondContact O-N 2.93Å; S127-A130 PolarHBondContact O-N 2.94Å; S127-S131 WeakPolarHBondContact O-CB 3.45Å; S127-S131 PolarHBondContact O-N 3.47Å; S127-S131 PolarHBondContact O-OG 3.49Å
128H69.8Low75.4Confident63 Ų6391.2 Ų91.229%0.29246%0.464SS..Hα-helixtrans-65.1-43.5173.4-66.1-50.3000111.7R124 W125 A130 S131 F132 I197R124-H128 PolarHBondContact O-CD2 3.15Å; R124-H128 PolarHBondContact O-N 3.48Å; W125-H128 PolarHBondContact O-N 2.82Å; H128-A130 VanDerWaalsContact C-N 3.34Å; H128-A130 PolarHBondContact O-N 3.41Å; H128-S131 WeakPolarHBondContact O-CA 3.25Å; H128-S131 VanDerWaalsContact O-CB 3.32Å; H128-S131 WeakPolarHBondContact O-CB 3.44Å; H128-S131 PolarHBondContact O-N 3.27Å; H128-F132 HydrophobicContact CB-CE2 4.39Å; H128-F132 WeakPolarHBondContact O-CD2 3.32Å; H128-F132 PolarHBondContact O-N 3.46Å; H128-I197 WeakPolarHBondContact ND1-CD1 3.5Å
129Q75.9Confident75.4Confident120 Ų12091.4 Ų91.456%0.56146%0.459SS*.Hα-helixtrans-61.2-40.9177.7-167177.815.200112.3W125 Q126 S131 F132 G133W125-Q129 WeakPolarHBondContact O-CB 3.32Å; W125-Q129 PolarHBondContact O-N 2.7Å; Q126-Q129 PolarHBondContact O-N 3.08Å; Q129-S131 VanDerWaalsContact C-N 3.33Å; Q129-F132 PolarHBondContact O-N 3.15Å; Q129-G133 PolarHBondContact O-N 3.09Å
130A80.3Confident75.6Confident60 Ų6092.5 Ų92.550%0.49646%0.461SS..Hα-helixtrans-63.8-38.2172.800000112.2Q126 S127 H128 G133 I134Q126-A130 WeakPolarHBondContact O-CB 3.46Å; Q126-A130 PolarHBondContact O-N 3.49Å; S127-A130 PolarHBondContact O-N 2.94Å; H128-A130 VanDerWaalsContact C-N 3.34Å; H128-A130 PolarHBondContact O-N 3.41Å; A130-G133 PolarHBondContact O-N 3.25Å; A130-I134 WeakPolarHBondContact O-CG1 3.31Å; A130-I134 PolarHBondContact O-N 3.25Å; A130-I134 VanDerWaalsContact O-N 3.14Å
131S71.3Confident76.1Confident26 Ų2695.1 Ų95.118%0.18247%0.473CS..Hα-helixtrans-64.8-45.8177-58.90000112S127 H128 Q129 G133 I134 L135 M195S127-S131 WeakPolarHBondContact O-CB 3.45Å; S127-S131 PolarHBondContact O-N 3.47Å; S127-S131 PolarHBondContact O-OG 3.49Å; H128-S131 WeakPolarHBondContact O-CA 3.25Å; H128-S131 VanDerWaalsContact O-CB 3.32Å; H128-S131 WeakPolarHBondContact O-CB 3.44Å; H128-S131 PolarHBondContact O-N 3.27Å; Q129-S131 VanDerWaalsContact C-N 3.33Å; S131-G133 VanDerWaalsContact C-N 3.34Å; S131-G133 PolarHBondContact O-N 3.45Å; S131-I134 WeakPolarHBondContact O-CB 3.38Å; S131-I134 PolarHBondContact O-N 3.42Å; S131-I134 VanDerWaalsContact O-N 3.11Å; S131-L135 PolarHBondContact O-N 3.45Å; S131-M195 WeakPolarHBondContact OG-CE 3.28Å
132F72.2Confident76.5Confident134 Ų13495.2 Ų95.259%0.58847%0.465SS*.Hα-helixtrans-59.6-42.7172.6-74.5-63.9000111.9H128 Q129 I134 L135 D136H128-F132 HydrophobicContact CB-CE2 4.39Å; H128-F132 WeakPolarHBondContact O-CD2 3.32Å; H128-F132 PolarHBondContact O-N 3.46Å; Q129-F132 PolarHBondContact O-N 3.15Å; F132-I134 PolarHBondContact O-N 3.03Å; F132-L135 WeakPolarHBondContact O-CB 3.42Å; F132-L135 PolarHBondContact O-N 2.91Å; F132-L135 VanDerWaalsContact O-N 3.08Å; F132-D136 WeakPolarHBondContact O-CB 3.42Å; F132-D136 PolarHBondContact O-N 3.47Å
133G81.8Confident76.7Confident29 Ų2994.3 Ų94.330%0.29946%0.457SS..Hα-helixtrans-65.9-16.2175.800000115.2Q129 A130 S131 K137Q129-G133 PolarHBondContact O-N 3.09Å; A130-G133 PolarHBondContact O-N 3.25Å; S131-G133 VanDerWaalsContact C-N 3.34Å; S131-G133 PolarHBondContact O-N 3.45Å; G133-K137 VanDerWaalsContact O-CD 3.28Å; G133-K137 WeakPolarHBondContact O-CD 3.33Å; G133-K137 VanDerWaalsContact O-CG 3.32Å; G133-K137 WeakPolarHBondContact O-CG 3.45Å
134I80Confident77.4Confident100 Ų10093.4 Ų93.451%0.51345%0.451SS..Hα-helixtrans-84.3-42.6168.6-68165.9000110.2A130 S131 F132 K137 K138A130-I134 WeakPolarHBondContact O-CG1 3.31Å; A130-I134 PolarHBondContact O-N 3.25Å; A130-I134 VanDerWaalsContact O-N 3.14Å; S131-I134 WeakPolarHBondContact O-CB 3.38Å; S131-I134 PolarHBondContact O-N 3.42Å; S131-I134 VanDerWaalsContact O-N 3.11Å; F132-I134 PolarHBondContact O-N 3.03Å; I134-K137 PolarHBondContact O-N 3.03Å; I134-K138 WeakPolarHBondContact O-CG 3.22Å; I134-K138 PolarHBondContact O-N 2.93Å; I134-K138 VanDerWaalsContact O-N 3.14Å
135L69.7Low77.9Confident80 Ų8090.6 Ų90.642%0.41944%0.441SS..Hα-helixtrans-61.3-46.5179.2-158.981.4000111.4S131 F132 K137 K138 Y139 L188S131-L135 PolarHBondContact O-N 3.45Å; F132-L135 WeakPolarHBondContact O-CB 3.42Å; F132-L135 PolarHBondContact O-N 2.91Å; F132-L135 VanDerWaalsContact O-N 3.08Å; L135-K137 PolarHBondContact O-N 3.29Å; L135-K138 WeakPolarHBondContact O-CB 3.45Å; L135-K138 PolarHBondContact O-N 3.21Å; L135-K138 VanDerWaalsContact O-N 3.07Å; L135-Y139 PolarHBondContact O-N 3.14Å; L135-L188 HydrophobicContact CD1-CD2 3.71Å
136D79.3Confident78Confident91 Ų9187.9 Ų87.949%0.48744%0.437SS..Hα-helixtrans-57.2-46.5177.5-17760.2000112.4F132 K138 Y139 H140F132-D136 WeakPolarHBondContact O-CB 3.42Å; F132-D136 PolarHBondContact O-N 3.47Å; D136-K138 VanDerWaalsContact C-N 3.3Å; D136-K138 PolarHBondContact O-N 3.47Å; D136-Y139 WeakPolarHBondContact O-CB 3.42Å; D136-Y139 PolarHBondContact O-N 2.88Å; D136-H140 PolarHBondContact O-N 3.25Å
137K86Confident78.2Confident153 Ų15387.8 Ų87.867%0.66544%0.436SS*.Hα-helixtrans-62.4-34.6174.1-71.3172.7-172.7169.80113.2G133 I134 L135 L141G133-K137 VanDerWaalsContact O-CD 3.28Å; G133-K137 WeakPolarHBondContact O-CD 3.33Å; G133-K137 VanDerWaalsContact O-CG 3.32Å; G133-K137 WeakPolarHBondContact O-CG 3.45Å; I134-K137 PolarHBondContact O-N 3.03Å; L135-K137 PolarHBondContact O-N 3.29Å; K137-L141 WeakPolarHBondContact O-CB 3.29Å; K137-L141 PolarHBondContact O-N 3.09Å; K137-L141 VanDerWaalsContact O-N 3.16Å
138K81Confident78.9Confident73 Ų7388.6 Ų88.632%0.31743%0.432SS..Hα-helixtrans-72.3-37.7175.3-71.3-176.7-178.2-163.60111.6I134 L135 D136 L141 L142I134-K138 WeakPolarHBondContact O-CG 3.22Å; I134-K138 PolarHBondContact O-N 2.93Å; I134-K138 VanDerWaalsContact O-N 3.14Å; L135-K138 WeakPolarHBondContact O-CB 3.45Å; L135-K138 PolarHBondContact O-N 3.21Å; L135-K138 VanDerWaalsContact O-N 3.07Å; D136-K138 VanDerWaalsContact C-N 3.3Å; D136-K138 PolarHBondContact O-N 3.47Å; K138-L141 PolarHBondContact O-N 3.3Å; K138-L142 PolarHBondContact O-N 2.87Å
139Y74.4Confident79.3Confident107 Ų10789.8 Ų89.842%0.4244%0.436SS..Hα-helixtrans-61.1-52.3175.1-179.6-90.4000111.3L135 D136 L141 L142 E143L135-Y139 PolarHBondContact O-N 3.14Å; D136-Y139 WeakPolarHBondContact O-CB 3.42Å; D136-Y139 PolarHBondContact O-N 2.88Å; Y139-L141 VanDerWaalsContact C-N 3.28Å; Y139-L141 PolarHBondContact O-N 3.13Å; Y139-L142 WeakPolarHBondContact O-CB 3.34Å; Y139-L142 PolarHBondContact O-N 3.36Å; Y139-L142 VanDerWaalsContact O-N 3.12Å; Y139-E143 WeakPolarHBondContact O-CB 3.46Å; Y139-E143 PolarHBondContact O-N 3.02Å
140H81.7Confident79.3Confident102 Ų10289.3 Ų89.347%0.47244%0.435SS..Hα-helixtrans-64.1-29.2176.1-79.1-34.2000113.8D136 E143 K144D136-H140 PolarHBondContact O-N 3.25Å; H140-E143 IonicContact CE1-OE2 3.68Å; H140-E143 IonicContact CG-OE2 3.73Å; H140-E143 IonicContact ND1-OE2 3.43Å; H140-E143 PolarHBondContact ND1-OE2 3.3Å; H140-K144 WeakPolarHBondContact O-CB 3.16Å; H140-K144 PolarHBondContact O-N 2.91Å
141L84.9Confident79.5Confident94 Ų9492.1 Ų92.149%0.49243%0.433SS..Hα-helixtrans-68.1-40.7172.7-178.664.1000112K137 K138 Y139 R145K137-L141 WeakPolarHBondContact O-CB 3.29Å; K137-L141 PolarHBondContact O-N 3.09Å; K137-L141 VanDerWaalsContact O-N 3.16Å; K138-L141 PolarHBondContact O-N 3.3Å; Y139-L141 VanDerWaalsContact C-N 3.28Å; Y139-L141 PolarHBondContact O-N 3.13Å; L141-R145 WeakPolarHBondContact O-CG 3.42Å; L141-R145 PolarHBondContact O-N 2.82Å; L141-R145 VanDerWaalsContact O-N 3.08Å
142L75.4Confident79.9Confident40 Ų4095.1 Ų95.121%0.20944%0.444CS..Hα-helixtrans-63-48.9173.9-92.5167.2000111.6K138 Y139 K144 R145 L146 M181 I184 L188K138-L142 PolarHBondContact O-N 2.87Å; Y139-L142 WeakPolarHBondContact O-CB 3.34Å; Y139-L142 PolarHBondContact O-N 3.36Å; Y139-L142 VanDerWaalsContact O-N 3.12Å; L142-K144 PolarHBondContact O-N 3.39Å; L142-R145 PolarHBondContact O-N 3.48Å; L142-R145 VanDerWaalsContact O-N 3.16Å; L142-L146 PolarHBondContact O-N 3.42Å; L142-M181 HydrophobicContact CD2-SD 4.13Å; L142-I184 HydrophobicContact CD1-CG2 3.87Å; L142-I184 HydrophobicContact CD2-CD1 3.73Å; L142-I184 HydrophobicContact CD2-CG2 4.01Å; L142-I184 HydrophobicContact CG-CG2 4.25Å; L142-L188 HydrophobicContact CD1-CD1 4.45Å
143E80.4Confident79.9Confident80 Ų8092.2 Ų92.237%0.37444%0.437SS..Hα-helixtrans-55.4-49.9177.4-174.7170.7-136.300111.1Y139 H140 R145 L146 E147Y139-E143 WeakPolarHBondContact O-CB 3.46Å; Y139-E143 PolarHBondContact O-N 3.02Å; H140-E143 IonicContact CE1-OE2 3.68Å; H140-E143 IonicContact CG-OE2 3.73Å; H140-E143 IonicContact ND1-OE2 3.43Å; H140-E143 PolarHBondContact ND1-OE2 3.3Å; E143-R145 PolarHBondContact O-N 3.49Å; E143-L146 WeakPolarHBondContact O-CB 3.39Å; E143-L146 PolarHBondContact O-N 2.91Å; E143-E147 PolarHBondContact O-N 3.14Å
144K88.5Confident79.8Confident115 Ų11595.1 Ų95.150%0.545%0.446SS..Hα-helixtrans-61-40.4175.5-175.4-179.9174.7-173.50113.3H140 L142 L146 E147 E148H140-K144 WeakPolarHBondContact O-CB 3.16Å; H140-K144 PolarHBondContact O-N 2.91Å; L142-K144 PolarHBondContact O-N 3.39Å; K144-L146 VanDerWaalsContact C-N 3.34Å; K144-E147 PolarHBondContact O-N 3.01Å; K144-E148 WeakPolarHBondContact CE-OE1 3.32Å; K144-E148 WeakPolarHBondContact O-CG 3.3Å; K144-E148 PolarHBondContact O-N 3.41Å
145R79.6Confident79.8Confident113 Ų11398.5 Ų98.543%0.42645%0.452SS..Hα-helixtrans-64.7-38.7175.5-79.3-173.2-175.6-171.95.7111.9L141 L142 E143 E148 K149 E180L141-R145 WeakPolarHBondContact O-CG 3.42Å; L141-R145 PolarHBondContact O-N 2.82Å; L141-R145 VanDerWaalsContact O-N 3.08Å; L142-R145 PolarHBondContact O-N 3.48Å; L142-R145 VanDerWaalsContact O-N 3.16Å; E143-R145 PolarHBondContact O-N 3.49Å; R145-E148 PolarHBondContact O-N 2.92Å; R145-K149 WeakPolarHBondContact O-CG 3.47Å; R145-K149 PolarHBondContact O-N 3.24Å; R145-E180 IonicContact CZ-OE1 3.81Å; R145-E180 IonicContact NH1-OE1 2.71Å; R145-E180 PolarHBondContact NH1-OE1 3.11Å
146L74.8Confident79.8Confident86 Ų8697.2 Ų97.245%0.4545%0.446SS..Hα-helixtrans-62.8-44.6175.8-176.163.7000110.9L142 E143 K144 E148 K149 M150 F177L142-L146 PolarHBondContact O-N 3.42Å; E143-L146 WeakPolarHBondContact O-CB 3.39Å; E143-L146 PolarHBondContact O-N 2.91Å; K144-L146 VanDerWaalsContact C-N 3.34Å; L146-E148 PolarHBondContact O-N 3.45Å; L146-K149 PolarHBondContact O-N 3.11Å; L146-M150 WeakPolarHBondContact O-CG 3.49Å; L146-M150 PolarHBondContact O-N 2.86Å; L146-F177 HydrophobicContact CD1-CE2 4.23Å; L146-F177 HydrophobicContact CD1-CZ 3.92Å
147E83.6Confident79.5Confident106 Ų10697 Ų9750%0.49545%0.451SS..Hα-helixtrans-62.5-37.2173.2-68.7-176.616100113.5E143 K144 R151E143-E147 PolarHBondContact O-N 3.14Å; K144-E147 PolarHBondContact O-N 3.01Å; E147-R151 WeakPolarHBondContact O-CG 3.49Å; E147-R151 PolarHBondContact O-N 2.96Å; E147-R151 VanDerWaalsContact O-N 3.09Å; E147-R151 PolarHBondContact O-NE 3.34Å
148E87.2Confident79.1Confident88 Ų8897.5 Ų97.541%0.41146%0.456SS..Hα-helixtrans-65.5-43.3174.8-75.3174.8-178.700111K144 R145 L146 R151 E152K144-E148 WeakPolarHBondContact CE-OE1 3.32Å; K144-E148 WeakPolarHBondContact O-CG 3.3Å; K144-E148 PolarHBondContact O-N 3.41Å; R145-E148 PolarHBondContact O-N 2.92Å; L146-E148 PolarHBondContact O-N 3.45Å; E148-R151 PolarHBondContact O-N 3.15Å; E148-E152 PolarHBondContact O-N 2.8Å
149K77.1Confident78.4Confident88 Ų8899.2 Ų99.238%0.38347%0.468SS..Hα-helixtrans-68.5-36.1176.3-73.8-73.7163-1640113.1R145 L146 E152 V153 F177R145-K149 WeakPolarHBondContact O-CG 3.47Å; R145-K149 PolarHBondContact O-N 3.24Å; L146-K149 PolarHBondContact O-N 3.11Å; K149-E152 WeakPolarHBondContact CD-OE2 3.23Å; K149-E152 WeakPolarHBondContact CE-OE2 3.45Å; K149-E152 IonicContact NZ-OE2 3.76Å; K149-E152 PolarHBondContact NZ-OE2 3.37Å; K149-E152 PolarHBondContact O-N 3.46Å; K149-V153 WeakPolarHBondContact O-CG2 3.4Å; K149-V153 PolarHBondContact O-N 2.84Å; K149-F177 HydrophobicContact CG-CD2 4.42Å
150M76.5Confident77.5Confident111 Ų111100.1 Ų100.155%0.54749%0.49SS..Hα-helixtrans-61.2-48.2171.4-75.5179.658.600111.2L146 E152 V153 D154L146-M150 WeakPolarHBondContact O-CG 3.49Å; L146-M150 PolarHBondContact O-N 2.86Å; M150-E152 VanDerWaalsContact C-N 3.27Å; M150-E152 PolarHBondContact O-N 2.77Å; M150-V153 WeakPolarHBondContact O-CB 3.38Å; M150-V153 PolarHBondContact O-N 2.97Å; M150-V153 VanDerWaalsContact O-N 3.14Å; M150-D154 VanDerWaalsContact O-CG 3.31Å; M150-D154 PolarHBondContact O-N 3.31Å
151R85.2Confident76.5Confident119 Ų11999.7 Ų99.745%0.44949%0.491SS..Hα-helixtrans-62.8-30.8176-74.8176.6-76154.4-10.8113.5E147 E148 R155E147-R151 WeakPolarHBondContact O-CG 3.49Å; E147-R151 PolarHBondContact O-N 2.96Å; E147-R151 VanDerWaalsContact O-N 3.09Å; E147-R151 PolarHBondContact O-NE 3.34Å; E148-R151 PolarHBondContact O-N 3.15Å; R151-R155 VanDerWaalsContact O-CG 3.3Å; R151-R155 WeakPolarHBondContact O-CG 3.31Å; R151-R155 PolarHBondContact O-N 3.27Å; R151-R155 VanDerWaalsContact O-N 3.13Å
152E79.6Confident75.7Confident89 Ų8998.1 Ų98.142%0.41649%0.488SS..Hα-helixtrans-69.7-42.5173.2-171.7171.3-147.900111.7E148 K149 M150 D154 R155 L156E148-E152 PolarHBondContact O-N 2.8Å; K149-E152 WeakPolarHBondContact CD-OE2 3.23Å; K149-E152 WeakPolarHBondContact CE-OE2 3.45Å; K149-E152 IonicContact NZ-OE2 3.76Å; K149-E152 PolarHBondContact NZ-OE2 3.37Å; K149-E152 PolarHBondContact O-N 3.46Å; M150-E152 VanDerWaalsContact C-N 3.27Å; M150-E152 PolarHBondContact O-N 2.77Å; E152-D154 VanDerWaalsContact C-N 3.34Å; E152-D154 PolarHBondContact O-N 3.28Å; E152-R155 PolarHBondContact O-N 3.05Å; E152-L156 HydrophobicContact CG-CD1 4.34Å; E152-L156 WeakPolarHBondContact O-CB 3.26Å; E152-L156 WeakPolarHBondContact O-CG 3.4Å; E152-L156 PolarHBondContact O-N 3.02Å
153V71Confident75.3Confident73 Ų73102.8 Ų102.844%0.44251%0.508SS..Hα-helixtrans-61.7-40.9173.7169.20000111.7K149 M150 L156 S157K149-V153 WeakPolarHBondContact O-CG2 3.4Å; K149-V153 PolarHBondContact O-N 2.84Å; M150-V153 WeakPolarHBondContact O-CB 3.38Å; M150-V153 PolarHBondContact O-N 2.97Å; M150-V153 VanDerWaalsContact O-N 3.14Å; V153-L156 PolarHBondContact O-N 3.28Å; V153-S157 PolarHBondContact O-N 3.47Å; V153-S157 VanDerWaalsContact O-N 3.12Å
154D79.4Confident75Confident90 Ų90104.1 Ų104.148%0.48151%0.514SS..Hα-helixtrans-64.7-45177.4-63.2-25.5000111M150 E152 L156 S157 E158M150-D154 VanDerWaalsContact O-CG 3.31Å; M150-D154 PolarHBondContact O-N 3.31Å; E152-D154 VanDerWaalsContact C-N 3.34Å; E152-D154 PolarHBondContact O-N 3.28Å; D154-L156 VanDerWaalsContact C-N 3.35Å; D154-L156 PolarHBondContact O-N 2.91Å; D154-S157 WeakPolarHBondContact O-CB 3.43Å; D154-S157 PolarHBondContact O-N 2.85Å; D154-S157 PolarHBondContact O-OG 3.33Å; D154-E158 PolarHBondContact O-N 3.04Å
155R80Confident74.3Confident171 Ų171104.3 Ų104.365%0.64552%0.517SS*.Hα-helixtrans-60-40.1173.2-74.1169.9175.8176.1-1.3113.3R151 E152 S157 E158 L159R151-R155 VanDerWaalsContact O-CG 3.3Å; R151-R155 WeakPolarHBondContact O-CG 3.31Å; R151-R155 PolarHBondContact O-N 3.27Å; R151-R155 VanDerWaalsContact O-N 3.13Å; E152-R155 PolarHBondContact O-N 3.05Å; R155-S157 PolarHBondContact O-N 2.73Å; R155-E158 PolarHBondContact O-N 2.99Å; R155-L159 PolarHBondContact O-N 2.98Å
156L71Confident73.8Confident53 Ų5399.4 Ų99.428%0.27750%0.501SS..Hα-helixtrans-69.8-13.2175.9-71.9171.9000113.1E152 V153 D154 L159E152-L156 HydrophobicContact CG-CD1 4.34Å; E152-L156 WeakPolarHBondContact O-CB 3.26Å; E152-L156 WeakPolarHBondContact O-CG 3.4Å; E152-L156 PolarHBondContact O-N 3.02Å; V153-L156 PolarHBondContact O-N 3.28Å; D154-L156 VanDerWaalsContact C-N 3.35Å; D154-L156 PolarHBondContact O-N 2.91Å; L156-L159 HydrophobicContact CD2-CD1 4.43Å
157S71.8Confident73.9Confident86 Ų8698.3 Ų98.360%0.60149%0.492SS*.Hα-helixtrans-82.8-23.2172.380.80000113.2V153 D154 R155V153-S157 PolarHBondContact O-N 3.47Å; V153-S157 VanDerWaalsContact O-N 3.12Å; D154-S157 WeakPolarHBondContact O-CB 3.43Å; D154-S157 PolarHBondContact O-N 2.85Å; D154-S157 PolarHBondContact O-OG 3.33Å; R155-S157 PolarHBondContact O-N 2.73Å
158E77.2Confident73.6Confident164 Ų16498.7 Ų98.777%0.76650%0.497SS*.Hα-helixtrans-82.2-25.9175.6-61.5-178.3157.400112.7D154 R155 S160D154-E158 PolarHBondContact O-N 3.04Å; R155-E158 PolarHBondContact O-N 2.99Å; E158-S160 PolarHBondContact O-N 3.45Å
159L67.1Low73.1Confident109 Ų10996.8 Ų96.857%0.57149%0.493SS*.SBendtrans-81110.1179.8-70.3170.5000111R155 L156 L161R155-L159 PolarHBondContact O-N 2.98Å; L156-L159 HydrophobicContact CD2-CD1 4.43Å; L159-L161 PolarHBondContact O-N 2.74Å
160S56.3Low72.9Confident125 Ų12597.7 Ų97.787%0.87449%0.494SS*.  trans-72.458.2176.6670000113.1E158E158-S160 PolarHBondContact O-N 3.45Å
161L59.8Low72.9Confident94 Ų9498.9 Ų98.949%0.49249%0.492SS..  trans-65.3156.8163.7-70.9168.8000109.6L159 E163 A166L159-L161 PolarHBondContact O-N 2.74Å; L161-E163 PolarHBondContact O-N 3.05Å; L161-A166 HydrophobicContact CB-CB 4.38Å
162S68Low72.7Confident61 Ų61100.6 Ų100.643%0.42750%0.503SS..  trans-58.6139.6174.376.10000109.5E164 E165 A166S162-E164 PolarHBondContact O-N 3.19Å; S162-E165 WeakPolarHBondContact CB-OE2 3.48Å; S162-E165 PolarHBondContact O-N 3.5Å; S162-E165 VanDerWaalsContact O-N 3.09Å; S162-E165 WeakPolarHBondContact OG-CB 3.33Å; S162-E165 VanDerWaalsContact OG-CD 3.23Å; S162-E165 VanDerWaalsContact OG-CG 3.25Å; S162-E165 WeakPolarHBondContact OG-CG 3.2Å; S162-E165 PolarHBondContact OG-OE2 2.89Å; S162-A166 PolarHBondContact O-N 2.94Å
163E67.6Low72.5Confident138 Ų13899.9 Ų99.965%0.64550%0.502SS*.Hα-helixtrans-55.5-31.7-168.6-159.6-167.3129.300112.4L161 K167L161-E163 PolarHBondContact O-N 3.05Å; E163-K167 VanDerWaalsContact O-CG 3.29Å; E163-K167 WeakPolarHBondContact O-CG 3.27Å; E163-K167 PolarHBondContact O-N 3.48Å; E163-K167 WeakPolarHBondContact OE1-CE 3.47Å; E163-K167 IonicContact OE1-NZ 2.71Å; E163-K167 PolarHBondContact OE1-NZ 3.36Å
164E73Confident72.6Confident107 Ų10798.4 Ų98.450%0.550%0.498SS..Hα-helixtrans-82-37.1-178.2-133.456.4-155.800113.3S162 A166 K167 I168S162-E164 PolarHBondContact O-N 3.19Å; E164-A166 VanDerWaalsContact C-N 3.31Å; E164-K167 PolarHBondContact O-N 2.96Å; E164-K167 IonicContact OE1-NZ 3.19Å; E164-K167 WeakPolarHBondContact OE2-CD 3.41Å; E164-K167 IonicContact OE2-NZ 3.77Å; E164-K167 PolarHBondContact OE2-NZ 2.78Å; E164-I168 VanDerWaalsContact O-CG1 3.3Å; E164-I168 WeakPolarHBondContact O-CG1 3.47Å; E164-I168 PolarHBondContact O-N 3.33Å
165E75Confident72.4Confident120 Ų12097.1 Ų97.156%0.56150%0.499SS*.Hα-helixtrans-64.1-39.8168.8-70.8169.9135.400110.7S162 I168 S169S162-E165 WeakPolarHBondContact CB-OE2 3.48Å; S162-E165 PolarHBondContact O-N 3.5Å; S162-E165 VanDerWaalsContact O-N 3.09Å; S162-E165 WeakPolarHBondContact OG-CB 3.33Å; S162-E165 VanDerWaalsContact OG-CD 3.23Å; S162-E165 VanDerWaalsContact OG-CG 3.25Å; S162-E165 WeakPolarHBondContact OG-CG 3.2Å; S162-E165 PolarHBondContact OG-OE2 2.89Å; E165-I168 PolarHBondContact O-N 3.22Å; E165-S169 PolarHBondContact O-N 3.36Å
166A69.6Low72.4Confident10 Ų1091.8 Ų91.88%0.08349%0.492CS..Hα-helixtrans-63-42174.600000112L161 S162 E164 R170L161-A166 HydrophobicContact CB-CB 4.38Å; S162-A166 PolarHBondContact O-N 2.94Å; E164-A166 VanDerWaalsContact C-N 3.31Å; A166-R170 VanDerWaalsContact O-CB 3.29Å; A166-R170 WeakPolarHBondContact O-CB 3.45Å; A166-R170 WeakPolarHBondContact O-CD 3.33Å; A166-R170 WeakPolarHBondContact O-CG 3.5Å; A166-R170 PolarHBondContact O-N 2.95Å
167K75.1Confident72.6Confident62 Ų6292 Ų9227%0.2749%0.491SS..Hα-helixtrans-63.8-43.2173.7-76.5168.6-161.4154.30112.5E163 E164 R170 R171E163-K167 VanDerWaalsContact O-CG 3.29Å; E163-K167 WeakPolarHBondContact O-CG 3.27Å; E163-K167 PolarHBondContact O-N 3.48Å; E163-K167 WeakPolarHBondContact OE1-CE 3.47Å; E163-K167 IonicContact OE1-NZ 2.71Å; E163-K167 PolarHBondContact OE1-NZ 3.36Å; E164-K167 PolarHBondContact O-N 2.96Å; E164-K167 IonicContact OE1-NZ 3.19Å; E164-K167 WeakPolarHBondContact OE2-CD 3.41Å; E164-K167 IonicContact OE2-NZ 3.77Å; E164-K167 PolarHBondContact OE2-NZ 2.78Å; K167-R170 PolarHBondContact O-N 2.78Å; K167-R171 WeakPolarHBondContact O-CB 3.45Å; K167-R171 WeakPolarHBondContact O-CG 3.44Å; K167-R171 PolarHBondContact O-N 2.89Å
168I79.1Confident72.7Confident115 Ų11590.2 Ų90.259%0.5947%0.473SS*.Hα-helixtrans-66.2-44.1179.7-68.3167.5000110.7E164 E165 R171 K172E164-I168 VanDerWaalsContact O-CG1 3.3Å; E164-I168 WeakPolarHBondContact O-CG1 3.47Å; E164-I168 PolarHBondContact O-N 3.33Å; E165-I168 PolarHBondContact O-N 3.22Å; I168-R171 PolarHBondContact O-N 2.85Å; I168-K172 WeakPolarHBondContact O-CB 3.37Å; I168-K172 PolarHBondContact O-N 3.4Å
169S75.2Confident72.7Confident48 Ų4884.9 Ų84.934%0.33646%0.456SS..Hα-helixtrans-60.5-54.1173.7-160.30000110.5E165 R171 K172 D173E165-S169 PolarHBondContact O-N 3.36Å; S169-R171 VanDerWaalsContact C-N 3.27Å; S169-R171 PolarHBondContact O-N 3.04Å; S169-R171 VanDerWaalsContact O-N 3.16Å; S169-K172 CarbonylContact O-C 3.43Å; S169-K172 WeakPolarHBondContact O-CA 3.27Å; S169-K172 WeakPolarHBondContact O-CB 2.87Å; S169-K172 PolarHBondContact O-N 3.38Å; S169-D173 VanDerWaalsContact C-OD2 3.23Å; S169-D173 WeakPolarHBondContact O-CB 3.35Å; S169-D173 PolarHBondContact O-N 3.29Å; S169-D173 PolarHBondContact OG-OD2 3.4Å
170R72.4Confident73.3Confident107 Ų10783 Ų8340%0.40444%0.444SS..Hα-helixtrans-54.5-39.5179.1-71.8169.3-163172.56.7113A166 K167 A174A166-R170 VanDerWaalsContact O-CB 3.29Å; A166-R170 WeakPolarHBondContact O-CB 3.45Å; A166-R170 WeakPolarHBondContact O-CD 3.33Å; A166-R170 WeakPolarHBondContact O-CG 3.5Å; A166-R170 PolarHBondContact O-N 2.95Å; K167-R170 PolarHBondContact O-N 2.78Å; R170-A174 WeakPolarHBondContact O-CB 3.46Å; R170-A174 PolarHBondContact O-N 3.16Å
171R77Confident74Confident135 Ų13578.7 Ų78.751%0.50941%0.411SS..Hα-helixtrans-65.2-43.4174.8-82.6179.2163.8173.4-7.5111.9K167 I168 S169 A175 D221K167-R171 WeakPolarHBondContact O-CB 3.45Å; K167-R171 WeakPolarHBondContact O-CG 3.44Å; K167-R171 PolarHBondContact O-N 2.89Å; I168-R171 PolarHBondContact O-N 2.85Å; S169-R171 VanDerWaalsContact C-N 3.27Å; S169-R171 PolarHBondContact O-N 3.04Å; S169-R171 VanDerWaalsContact O-N 3.16Å; R171-A175 VanDerWaalsContact O-CB 3.31Å; R171-A175 WeakPolarHBondContact O-CB 3.46Å; R171-A175 PolarHBondContact O-N 2.81Å; R171-D221 PolarHBondContact NH2-O 2.86Å
172K81.3Confident74.6Confident156 Ų15676.1 Ų76.168%0.67840%0.396SS*.Hα-helixtrans-66.2-43.5177.1-172.1-178.1178.2-173.30112.1I168 S169 A175 A176I168-K172 WeakPolarHBondContact O-CB 3.37Å; I168-K172 PolarHBondContact O-N 3.4Å; S169-K172 CarbonylContact O-C 3.43Å; S169-K172 WeakPolarHBondContact O-CA 3.27Å; S169-K172 WeakPolarHBondContact O-CB 2.87Å; S169-K172 PolarHBondContact O-N 3.38Å; K172-A175 PolarHBondContact O-N 3.43Å; K172-A176 WeakPolarHBondContact O-CB 3.32Å; K172-A176 PolarHBondContact O-N 2.79Å
173D76.4Confident75.2Confident73 Ų7377.1 Ų77.139%0.3940%0.397SS..Hα-helixtrans-70-39-179-59.5-37.7000111.1S169 A176 F177S169-D173 VanDerWaalsContact C-OD2 3.23Å; S169-D173 WeakPolarHBondContact O-CB 3.35Å; S169-D173 PolarHBondContact O-N 3.29Å; S169-D173 PolarHBondContact OG-OD2 3.4Å; D173-A176 PolarHBondContact O-N 2.77Å; D173-F177 WeakPolarHBondContact O-CB 3.45Å; D173-F177 PolarHBondContact O-N 2.83Å
174A71.6Confident75.6Confident42 Ų4272 Ų7235%0.34737%0.374SS..Hα-helixtrans-65.2-45171.800000112.1R170 A176 F177 F178R170-A174 WeakPolarHBondContact O-CB 3.46Å; R170-A174 PolarHBondContact O-N 3.16Å; A174-A176 VanDerWaalsContact C-N 3.32Å; A174-A176 PolarHBondContact O-N 3.25Å; A174-F177 PolarHBondContact O-N 3.15Å; A174-F178 HydrophobicContact CB-CE2 4.42Å; A174-F178 WeakPolarHBondContact O-CD2 3.44Å; A174-F178 PolarHBondContact O-N 3.41Å
175A76.8Confident75.7Confident63 Ų6367.3 Ų67.352%0.52135%0.352SS..Hα-helixtrans-62.1-39.4176.600000112.2R171 K172 A179R171-A175 VanDerWaalsContact O-CB 3.31Å; R171-A175 WeakPolarHBondContact O-CB 3.46Å; R171-A175 PolarHBondContact O-N 2.81Å; K172-A175 PolarHBondContact O-N 3.43Å; A175-A179 WeakPolarHBondContact O-CB 3.39Å; A175-A179 PolarHBondContact O-N 2.73Å
176A79.3Confident75.7Confident60 Ų6068.3 Ų68.350%0.49636%0.356SS..Hα-helixtrans-64.9-43173.600000112.1K172 D173 A174 A179 E180K172-A176 WeakPolarHBondContact O-CB 3.32Å; K172-A176 PolarHBondContact O-N 2.79Å; D173-A176 PolarHBondContact O-N 2.77Å; A174-A176 VanDerWaalsContact C-N 3.32Å; A174-A176 PolarHBondContact O-N 3.25Å; A176-A179 PolarHBondContact O-N 3.07Å; A176-E180 PolarHBondContact O-N 3.3Å
177F74.6Confident76.2Confident57 Ų5772.2 Ų72.225%0.2537%0.373CS..Hα-helixtrans-62.1-45.8175.6174.1-98000112.4L146 K149 D173 A174 A179 E180 M181L146-F177 HydrophobicContact CD1-CE2 4.23Å; L146-F177 HydrophobicContact CD1-CZ 3.92Å; K149-F177 HydrophobicContact CG-CD2 4.42Å; D173-F177 WeakPolarHBondContact O-CB 3.45Å; D173-F177 PolarHBondContact O-N 2.83Å; A174-F177 PolarHBondContact O-N 3.15Å; F177-A179 VanDerWaalsContact C-N 3.35Å; F177-A179 PolarHBondContact O-N 3.29Å; F177-E180 PolarHBondContact O-N 3.34Å; F177-M181 HydrophobicContact CD1-CG 4.34Å; F177-M181 HydrophobicContact CE1-CG 3.87Å; F177-M181 HydrophobicContact CE2-CG 4.06Å; F177-M181 HydrophobicContact CE2-SD 4.28Å; F177-M181 HydrophobicContact CZ-CG 3.71Å; F177-M181 HydrophobicContact CZ-SD 4.09Å; F177-M181 WeakPolarHBondContact O-CG 3.31Å; F177-M181 PolarHBondContact O-N 3.24Å
178F73.5Confident75.9Confident49 Ų4970.4 Ų70.422%0.21537%0.366CS..Hα-helixtrans-64.4-38.6176.8-74.1-61.7000112.1A174 M181 E182A174-F178 HydrophobicContact CB-CE2 4.42Å; A174-F178 WeakPolarHBondContact O-CD2 3.44Å; A174-F178 PolarHBondContact O-N 3.41Å; F178-M181 PolarHBondContact O-N 3.08Å; F178-E182 WeakPolarHBondContact O-CB 3.45Å; F178-E182 WeakPolarHBondContact O-CG 3.44Å; F178-E182 PolarHBondContact O-N 3.24Å
179A78Confident75.7Confident51 Ų5166.8 Ų66.842%0.42135%0.351SS..Hα-helixtrans-66.1-34.6173.900000113A175 A176 F177 N183A175-A179 WeakPolarHBondContact O-CB 3.39Å; A175-A179 PolarHBondContact O-N 2.73Å; A176-A179 PolarHBondContact O-N 3.07Å; F177-A179 VanDerWaalsContact C-N 3.35Å; F177-A179 PolarHBondContact O-N 3.29Å; A179-N183 WeakPolarHBondContact O-CB 3.35Å; A179-N183 PolarHBondContact O-N 3.11Å
180E79.9Confident75.7Confident69 Ų6967.4 Ų67.432%0.32236%0.355SS..Hα-helixtrans-66-44.5172-172.9177.5173.300111.1R145 A176 F177 N183 I184R145-E180 IonicContact CZ-OE1 3.81Å; R145-E180 IonicContact NH1-OE1 2.71Å; R145-E180 PolarHBondContact NH1-OE1 3.11Å; A176-E180 PolarHBondContact O-N 3.3Å; F177-E180 PolarHBondContact O-N 3.34Å; E180-N183 PolarHBondContact O-N 3.44Å; E180-I184 HydrophobicContact CG-CD1 3.91Å; E180-I184 VanDerWaalsContact O-CG1 3.29Å; E180-I184 WeakPolarHBondContact O-CG1 3.45Å; E180-I184 PolarHBondContact O-N 2.97Å
181M70.1Confident75.8Confident36 Ų3665.4 Ų65.418%0.17735%0.351CS..Hα-helixtrans-65.2-44.5177.1-69.8-62.1-60.800112.7L142 F177 F178 N183 I184 F185L142-M181 HydrophobicContact CD2-SD 4.13Å; F177-M181 HydrophobicContact CD1-CG 4.34Å; F177-M181 HydrophobicContact CE1-CG 3.87Å; F177-M181 HydrophobicContact CE2-CG 4.06Å; F177-M181 HydrophobicContact CE2-SD 4.28Å; F177-M181 HydrophobicContact CZ-CG 3.71Å; F177-M181 HydrophobicContact CZ-SD 4.09Å; F177-M181 WeakPolarHBondContact O-CG 3.31Å; F177-M181 PolarHBondContact O-N 3.24Å; F178-M181 PolarHBondContact O-N 3.08Å; M181-N183 VanDerWaalsContact C-N 3.34Å; M181-N183 PolarHBondContact O-N 3.34Å; M181-I184 PolarHBondContact O-N 2.89Å; M181-F185 HydrophobicContact CB-CE2 4.3Å; M181-F185 HydrophobicContact CE-CE2 3.67Å; M181-F185 HydrophobicContact CE-CZ 3.66Å; M181-F185 WeakPolarHBondContact O-CD2 3.37Å; M181-F185 WeakPolarHBondContact O-CG 3.49Å; M181-F185 PolarHBondContact O-N 2.94Å
182E74.2Confident75.3Confident39 Ų3960.3 Ų60.318%0.18233%0.333CS..Hα-helixtrans-53-50.8173.6-78.2172.5177.200110.4F178 I184 F185 E186 K218F178-E182 WeakPolarHBondContact O-CB 3.45Å; F178-E182 WeakPolarHBondContact O-CG 3.44Å; F178-E182 PolarHBondContact O-N 3.24Å; E182-I184 PolarHBondContact O-N 3.43Å; E182-F185 PolarHBondContact O-N 2.89Å; E182-E186 WeakPolarHBondContact O-CB 3.33Å; E182-E186 PolarHBondContact O-N 2.89Å; E182-K218 VanDerWaalsContact CD-NZ 3.28Å; E182-K218 IonicContact OE1-NZ 2.67Å; E182-K218 PolarHBondContact OE1-NZ 2.87Å; E182-K218 IonicContact OE2-NZ 2.68Å; E182-K218 PolarHBondContact OE2-NZ 3.17Å
183N80.5Confident74.7Confident82 Ų8257.3 Ų57.344%0.43933%0.331SS..Hα-helixtrans-63.1-39.9178.7-175.43.5000112.7A179 E180 M181 E186 Q187A179-N183 WeakPolarHBondContact O-CB 3.35Å; A179-N183 PolarHBondContact O-N 3.11Å; E180-N183 PolarHBondContact O-N 3.44Å; M181-N183 VanDerWaalsContact C-N 3.34Å; M181-N183 PolarHBondContact O-N 3.34Å; N183-E186 PolarHBondContact O-N 3.22Å; N183-Q187 WeakPolarHBondContact O-CB 3.49Å; N183-Q187 VanDerWaalsContact O-CG 3.29Å; N183-Q187 WeakPolarHBondContact O-CG 3.42Å; N183-Q187 PolarHBondContact O-N 3.25Å; N183-Q187 PolarHBondContact OD1-NE2 3.17Å
184I75.9Confident74.6Confident30 Ų3061 Ų6115%0.15435%0.345CS..Hα-helixtrans-68.9-39.3177.8-65.8167.2000111.4L142 E180 M181 E182 Q187 L188L142-I184 HydrophobicContact CD1-CG2 3.87Å; L142-I184 HydrophobicContact CD2-CD1 3.73Å; L142-I184 HydrophobicContact CD2-CG2 4.01Å; L142-I184 HydrophobicContact CG-CG2 4.25Å; E180-I184 HydrophobicContact CG-CD1 3.91Å; E180-I184 VanDerWaalsContact O-CG1 3.29Å; E180-I184 WeakPolarHBondContact O-CG1 3.45Å; E180-I184 PolarHBondContact O-N 2.97Å; M181-I184 PolarHBondContact O-N 2.89Å; E182-I184 PolarHBondContact O-N 3.43Å; I184-Q187 PolarHBondContact O-N 2.97Å; I184-L188 HydrophobicContact CG2-CD1 4.03Å; I184-L188 WeakPolarHBondContact O-CB 3.48Å; I184-L188 PolarHBondContact O-N 2.93Å
185F73.4Confident74.3Confident10 Ų1062.5 Ų62.54%0.04435%0.346CS..Hα-helixtrans-65.7-39.7173.7-71.3-53000112.4M181 E182 L188 S189 L207 L210 V211 Y238M181-F185 HydrophobicContact CB-CE2 4.3Å; M181-F185 HydrophobicContact CE-CE2 3.67Å; M181-F185 HydrophobicContact CE-CZ 3.66Å; M181-F185 WeakPolarHBondContact O-CD2 3.37Å; M181-F185 WeakPolarHBondContact O-CG 3.49Å; M181-F185 PolarHBondContact O-N 2.94Å; E182-F185 PolarHBondContact O-N 2.89Å; F185-L188 PolarHBondContact O-N 3.45Å; F185-S189 WeakPolarHBondContact O-CB 3.39Å; F185-S189 PolarHBondContact O-N 2.86Å; F185-L207 HydrophobicContact CD1-CD2 3.67Å; F185-L207 HydrophobicContact CE1-CD2 4.11Å; F185-L210 HydrophobicContact CE1-CD1 4.45Å; F185-L210 HydrophobicContact CZ-CD1 4.46Å; F185-L210 HydrophobicContact CZ-CD2 4.15Å; F185-V211 HydrophobicContact CB-CG2 3.86Å; F185-V211 HydrophobicContact CG-CG2 4.46Å; F185-Y238 WeakPolarHBondContact CE1-OH 3.41Å; F185-Y238 WeakPolarHBondContact CZ-OH 3.42Å
186E76.8Confident73.3Confident140 Ų14067.4 Ų67.465%0.65436%0.364SS*.Hα-helixtrans-65-40.4175.9-168.3171.3-154.300111.7E182 N183 S190E182-E186 WeakPolarHBondContact O-CB 3.33Å; E182-E186 PolarHBondContact O-N 2.89Å; N183-E186 PolarHBondContact O-N 3.22Å; E186-S190 VanDerWaalsContact O-CB 3.26Å; E186-S190 WeakPolarHBondContact O-CB 3.46Å; E186-S190 PolarHBondContact O-N 2.84Å
187Q78.6Confident72.4Confident92 Ų9266.5 Ų66.543%0.4335%0.35SS..Hα-helixtrans-65.6-39.6172.7-74.2177.937.300113.3N183 I184 Q191N183-Q187 WeakPolarHBondContact O-CB 3.49Å; N183-Q187 VanDerWaalsContact O-CG 3.29Å; N183-Q187 WeakPolarHBondContact O-CG 3.42Å; N183-Q187 PolarHBondContact O-N 3.25Å; N183-Q187 PolarHBondContact OD1-NE2 3.17Å; I184-Q187 PolarHBondContact O-N 2.97Å; Q187-Q191 WeakPolarHBondContact O-CB 3.42Å; Q187-Q191 VanDerWaalsContact O-CG 3.3Å; Q187-Q191 WeakPolarHBondContact O-CG 3.48Å; Q187-Q191 PolarHBondContact O-N 3.25Å
188L70.2Confident71.5Confident25 Ų2569.8 Ų69.813%0.13138%0.377CS..Hα-helixtrans-65.3-48.8175.3-87.3161.6000111L135 L142 I184 F185 S190 Q191 M192L135-L188 HydrophobicContact CD1-CD2 3.71Å; L142-L188 HydrophobicContact CD1-CD1 4.45Å; I184-L188 HydrophobicContact CG2-CD1 4.03Å; I184-L188 WeakPolarHBondContact O-CB 3.48Å; I184-L188 PolarHBondContact O-N 2.93Å; F185-L188 PolarHBondContact O-N 3.45Å; L188-S190 PolarHBondContact O-N 2.81Å; L188-Q191 PolarHBondContact O-N 3.12Å; L188-M192 WeakPolarHBondContact O-CB 3.37Å; L188-M192 VanDerWaalsContact O-CG 3.29Å; L188-M192 WeakPolarHBondContact O-CG 3.45Å; L188-M192 PolarHBondContact O-N 2.73Å
189S73.1Confident70.6Confident39 Ų3970 Ų7027%0.27338%0.382SS..Hα-helixtrans-58.3-47.2176.1178.60000111.3F185 Q191 M192 C193F185-S189 WeakPolarHBondContact O-CB 3.39Å; F185-S189 PolarHBondContact O-N 2.86Å; S189-Q191 VanDerWaalsContact C-N 3.34Å; S189-Q191 PolarHBondContact O-N 3.48Å; S189-M192 PolarHBondContact O-N 3.39Å; S189-C193 PolarHBondContact O-N 3.34Å; S189-C193 PolarHBondContact O-SG 3.47Å
190S76.5Confident69.7Low61 Ų6169.3 Ų69.343%0.42737%0.371SS..Hα-helixtrans-60.2-39.3176.4-176.90000113.1E186 L188 Q194E186-S190 VanDerWaalsContact O-CB 3.26Å; E186-S190 WeakPolarHBondContact O-CB 3.46Å; E186-S190 PolarHBondContact O-N 2.84Å; L188-S190 PolarHBondContact O-N 2.81Å; S190-Q194 WeakPolarHBondContact O-CG 3.46Å; S190-Q194 PolarHBondContact O-N 2.85Å; S190-Q194 VanDerWaalsContact O-N 3.15Å
191Q73.8Confident68.6Low65 Ų6568.2 Ų68.230%0.30438%0.378SS..Hα-helixtrans-70.4-38.2175.4-76.6160.820.500112.5Q187 L188 S189 Q194 M195Q187-Q191 WeakPolarHBondContact O-CB 3.42Å; Q187-Q191 VanDerWaalsContact O-CG 3.3Å; Q187-Q191 WeakPolarHBondContact O-CG 3.48Å; Q187-Q191 PolarHBondContact O-N 3.25Å; L188-Q191 PolarHBondContact O-N 3.12Å; S189-Q191 VanDerWaalsContact C-N 3.34Å; S189-Q191 PolarHBondContact O-N 3.48Å; Q191-Q194 PolarHBondContact O-N 2.71Å; Q191-M195 PolarHBondContact O-N 3.47Å; Q191-M195 VanDerWaalsContact O-N 3.12Å
192M66.2Low68Low27 Ų2769.2 Ų69.213%0.13339%0.393CS..Hα-helixtrans-66.8-37.2175.4-72.316365.900111.6L188 S189 Q194 M195 L200 S203 L207L188-M192 WeakPolarHBondContact O-CB 3.37Å; L188-M192 VanDerWaalsContact O-CG 3.29Å; L188-M192 WeakPolarHBondContact O-CG 3.45Å; L188-M192 PolarHBondContact O-N 2.73Å; S189-M192 PolarHBondContact O-N 3.39Å; M192-Q194 VanDerWaalsContact C-N 3.3Å; M192-Q194 PolarHBondContact O-N 3.06Å; M192-M195 CarbonylContact O-C 3.57Å; M192-M195 PolarHBondContact O-N 3.37Å; M192-L200 HydrophobicContact CB-CD1 4.03Å; M192-L200 HydrophobicContact CE-CD2 4.07Å; M192-L200 HydrophobicContact CG-CD1 4.25Å; M192-L200 WeakPolarHBondContact O-CD1 3.14Å; M192-S203 WeakPolarHBondContact CE-OG 3.25Å; M192-L207 HydrophobicContact CE-CD1 3.69Å; M192-L207 HydrophobicContact SD-CD1 3.48Å; M192-L207 WeakPolarHBondContact SD-CD1 3.21Å
193C69.9Low67.4Low94 Ų9468.4 Ų68.464%0.63539%0.391SS*.Hα-helixtrans-69.7-23.3172.6-660000113.8S189S189-C193 PolarHBondContact O-N 3.34Å; S189-C193 PolarHBondContact O-SG 3.47Å
194Q74.6Confident66.7Low149 Ų14966.6 Ų66.670%0.69639%0.385SS*.Hα-helixtrans-80.3-21172-72.4171.719.200112.6S190 Q191 M192 D196S190-Q194 WeakPolarHBondContact O-CG 3.46Å; S190-Q194 PolarHBondContact O-N 2.85Å; S190-Q194 VanDerWaalsContact O-N 3.15Å; Q191-Q194 PolarHBondContact O-N 2.71Å; M192-Q194 VanDerWaalsContact C-N 3.3Å; M192-Q194 PolarHBondContact O-N 3.06Å; Q194-D196 PolarHBondContact O-N 2.8Å
195M63.7Low66.2Low75 Ų7572.9 Ų72.937%0.36941%0.414SS..SBendtrans-87.696.1171.6-70.8-175.7169.400108.9S131 Q191 M192 I197 L200S131-M195 WeakPolarHBondContact OG-CE 3.28Å; Q191-M195 PolarHBondContact O-N 3.47Å; Q191-M195 VanDerWaalsContact O-N 3.12Å; M192-M195 CarbonylContact O-C 3.57Å; M192-M195 PolarHBondContact O-N 3.37Å; M195-I197 HydrophobicContact CB-CD1 3.93Å; M195-I197 HydrophobicContact CB-CG1 4.13Å; M195-I197 PolarHBondContact O-N 2.75Å; M195-L200 HydrophobicContact CB-CD1 3.81Å
196D57.5Low65.7Low166 Ų16675.3 Ų75.389%0.88843%0.431SS*.  trans-67.668.2-179.6-165.421.3000112Q194Q194-D196 PolarHBondContact O-N 2.8Å
197I58.8Low65.2Low41 Ų4169.5 Ų69.521%0.2140%0.404CS..  trans-123.6111.7-172.8-56.6178000107.6H128 M195 V199 L200H128-I197 WeakPolarHBondContact ND1-CD1 3.5Å; M195-I197 HydrophobicContact CB-CD1 3.93Å; M195-I197 HydrophobicContact CB-CG1 4.13Å; M195-I197 PolarHBondContact O-N 2.75Å; I197-V199 HydrophobicContact CG2-CB 4.15Å; I197-V199 HydrophobicContact CG2-CG2 4.45Å; I197-V199 PolarHBondContact O-N 2.9Å; I197-L200 HydrophobicContact CB-CD1 3.95Å; I197-L200 HydrophobicContact CB-CG 4Å; I197-L200 HydrophobicContact CD1-CD1 4.2Å; I197-L200 HydrophobicContact CG1-CD1 4.4Å; I197-L200 HydrophobicContact CG2-CG 4.29Å; I197-L200 PolarHBondContact O-N 2.99Å
198P56.6Low65Low125 Ų12567.1 Ų67.181%0.81241%0.405SS*.THydrogen-bonded Turntrans-55.1-30.8-175.6-29.435.7000115.1L200 G201P198-L200 PolarHBondContact O-N 3.18Å; P198-G201 PolarHBondContact O-N 2.92Å
199V55.2Low65.1Low53 Ų5367.8 Ų67.832%0.32142%0.418SS..THydrogen-bonded Turntrans-63-24.6178.6-176.60000112.4I197 G201 F252I197-V199 HydrophobicContact CG2-CB 4.15Å; I197-V199 HydrophobicContact CG2-CG2 4.45Å; I197-V199 PolarHBondContact O-N 2.9Å; V199-G201 PolarHBondContact O-N 2.97Å; V199-F252 HydrophobicContact CG1-CE2 4.43Å; V199-F252 HydrophobicContact CG2-CE2 3.84Å; V199-F252 HydrophobicContact CG2-CZ 3.71Å
200L57.3Low64.7Low38 Ų3866.8 Ų66.820%0.19941%0.409CS..Hα-helixtrans-75.2-8-178.9-61.5178.6000113.9M192 M195 I197 P198 A202 S203 S204M192-L200 HydrophobicContact CB-CD1 4.03Å; M192-L200 HydrophobicContact CE-CD2 4.07Å; M192-L200 HydrophobicContact CG-CD1 4.25Å; M192-L200 WeakPolarHBondContact O-CD1 3.14Å; M195-L200 HydrophobicContact CB-CD1 3.81Å; I197-L200 HydrophobicContact CB-CD1 3.95Å; I197-L200 HydrophobicContact CB-CG 4Å; I197-L200 HydrophobicContact CD1-CD1 4.2Å; I197-L200 HydrophobicContact CG1-CD1 4.4Å; I197-L200 HydrophobicContact CG2-CG 4.29Å; I197-L200 PolarHBondContact O-N 2.99Å; P198-L200 PolarHBondContact O-N 3.18Å; L200-A202 PolarHBondContact O-N 2.88Å; L200-S203 WeakPolarHBondContact CA-OG 3.15Å; L200-S203 PolarHBondContact O-N 3.48Å; L200-S203 PolarHBondContact O-OG 3.41Å; L200-S203 VanDerWaalsContact O-OG 3.09Å; L200-S204 WeakPolarHBondContact O-CB 3.44Å; L200-S204 PolarHBondContact O-N 3Å
201G58.3Low64.4Low45 Ų4566.3 Ų66.346%0.46440%0.403SS..Hα-helixtrans-58.4-48.6176.600000112.9P198 V199 S203 S204 E205P198-G201 PolarHBondContact O-N 2.92Å; V199-G201 PolarHBondContact O-N 2.97Å; G201-S203 PolarHBondContact O-N 3.35Å; G201-S204 WeakPolarHBondContact O-CB 3.48Å; G201-S204 PolarHBondContact O-N 2.85Å; G201-E205 PolarHBondContact O-N 3.4Å
202A56.7Low64.3Low58 Ų5866 Ų6648%0.47941%0.408SS..Hα-helixtrans-65.5-40.3179.800000112.5L200 S204 E205 C206L200-A202 PolarHBondContact O-N 2.88Å; A202-S204 VanDerWaalsContact C-N 3.32Å; A202-S204 PolarHBondContact O-N 3.24Å; A202-E205 PolarHBondContact O-N 2.9Å; A202-C206 PolarHBondContact O-N 3.26Å; A202-C206 VanDerWaalsContact O-N 3.15Å
203S62.3Low64.3Low21 Ų2167.9 Ų67.915%0.14742%0.421CS..Hα-helixtrans-71-26.9177.251.70000112.8M192 L200 G201 C206 L207M192-S203 WeakPolarHBondContact CE-OG 3.25Å; L200-S203 WeakPolarHBondContact CA-OG 3.15Å; L200-S203 PolarHBondContact O-N 3.48Å; L200-S203 PolarHBondContact O-OG 3.41Å; L200-S203 VanDerWaalsContact O-OG 3.09Å; G201-S203 PolarHBondContact O-N 3.35Å; S203-C206 PolarHBondContact O-N 3.4Å; S203-L207 WeakPolarHBondContact O-CB 3.42Å; S203-L207 WeakPolarHBondContact O-CG 3.31Å; S203-L207 PolarHBondContact O-N 2.7Å
204S64.6Low64.1Low45 Ų4563.7 Ų63.732%0.31539%0.393SS..Hα-helixtrans-65.5-38169.8-169.10000112.5L200 G201 A202 G208L200-S204 WeakPolarHBondContact O-CB 3.44Å; L200-S204 PolarHBondContact O-N 3Å; G201-S204 WeakPolarHBondContact O-CB 3.48Å; G201-S204 PolarHBondContact O-N 2.85Å; A202-S204 VanDerWaalsContact C-N 3.32Å; A202-S204 PolarHBondContact O-N 3.24Å; S204-G208 PolarHBondContact O-N 3.08Å
205E66.4Low63.9Low162 Ų16259 Ų5976%0.75738%0.377SS*.Hα-helixtrans-66.4-43.3173.9-68.5-171.8164.600111.6G201 A202 L207 G208 G209G201-E205 PolarHBondContact O-N 3.4Å; A202-E205 PolarHBondContact O-N 2.9Å; E205-L207 PolarHBondContact O-N 3.2Å; E205-G208 PolarHBondContact O-N 3.2Å; E205-G209 PolarHBondContact O-N 3.4Å
206C63.1Low64.2Low60 Ų6061.4 Ų61.441%0.40539%0.387SS..Hα-helixtrans-60.5-42.4174.8-66.30000112.6A202 S203 G209 L210 M241A202-C206 PolarHBondContact O-N 3.26Å; A202-C206 VanDerWaalsContact O-N 3.15Å; S203-C206 PolarHBondContact O-N 3.4Å; C206-G209 PolarHBondContact O-N 3.03Å; C206-L210 PolarHBondContact O-N 3.17Å; C206-M241 HydrophobicContact CB-SD 3.76Å
207L66.7Low64.4Low19 Ų1955.4 Ų55.410%0.09936%0.355CS..Hα-helixtrans-65.2-41.6175.2-75.5173.7000112.1F185 M192 S203 E205 G209 L210 V211F185-L207 HydrophobicContact CD1-CD2 3.67Å; F185-L207 HydrophobicContact CE1-CD2 4.11Å; M192-L207 HydrophobicContact CE-CD1 3.69Å; M192-L207 HydrophobicContact SD-CD1 3.48Å; M192-L207 WeakPolarHBondContact SD-CD1 3.21Å; S203-L207 WeakPolarHBondContact O-CB 3.42Å; S203-L207 WeakPolarHBondContact O-CG 3.31Å; S203-L207 PolarHBondContact O-N 2.7Å; E205-L207 PolarHBondContact O-N 3.2Å; L207-G209 VanDerWaalsContact C-N 3.29Å; L207-G209 PolarHBondContact O-N 3.26Å; L207-L210 PolarHBondContact O-N 2.92Å; L207-V211 WeakPolarHBondContact O-CG2 3.39Å; L207-V211 PolarHBondContact O-N 3.48Å
208G72.9Confident64.7Low42 Ų4259.5 Ų59.543%0.43337%0.371SS..Hα-helixtrans-59.2-39.917300000112.6S204 E205 V211 S212S204-G208 PolarHBondContact O-N 3.08Å; E205-G208 PolarHBondContact O-N 3.2Å; G208-V211 PolarHBondContact O-N 3.41Å; G208-S212 WeakPolarHBondContact O-CB 3.45Å; G208-S212 PolarHBondContact O-N 3.47Å
209G73.4Confident65.2Low39 Ų3960.9 Ų60.940%0.40237%0.366SS..Hα-helixtrans-60.8-45.7171.800000113E205 C206 L207 S212 V213E205-G209 PolarHBondContact O-N 3.4Å; C206-G209 PolarHBondContact O-N 3.03Å; L207-G209 VanDerWaalsContact C-N 3.29Å; L207-G209 PolarHBondContact O-N 3.26Å; G209-S212 WeakPolarHBondContact O-CB 3.4Å; G209-S212 PolarHBondContact O-N 3.22Å; G209-V213 WeakPolarHBondContact O-CG2 3.48Å; G209-V213 PolarHBondContact O-N 3.49Å
210L64.7Low65.4Low17 Ų1764.1 Ų64.19%0.08938%0.381CS..Hα-helixtrans-62.2-43.7176.5-103.3157.3000112.7F185 C206 L207 V213 C214 Y238 M241F185-L210 HydrophobicContact CE1-CD1 4.45Å; F185-L210 HydrophobicContact CZ-CD1 4.46Å; F185-L210 HydrophobicContact CZ-CD2 4.15Å; C206-L210 PolarHBondContact O-N 3.17Å; L207-L210 PolarHBondContact O-N 2.92Å; L210-V213 PolarHBondContact O-N 3.01Å; L210-C214 PolarHBondContact O-N 3.24Å; L210-C214 PolarHBondContact O-SG 2.93Å; L210-Y238 HydrophobicContact CD1-CE2 4.07Å; L210-Y238 HydrophobicContact CD2-CE2 4.04Å; L210-M241 HydrophobicContact CD1-CE 3.95Å
211V70.4Confident65.5Low51 Ų5168.9 Ų68.931%0.30941%0.407SS..Hα-helixtrans-64.3-39.5175.4172.30000111.3F185 L207 G208 C214 S215F185-V211 HydrophobicContact CB-CG2 3.86Å; F185-V211 HydrophobicContact CG-CG2 4.46Å; L207-V211 WeakPolarHBondContact O-CG2 3.39Å; L207-V211 PolarHBondContact O-N 3.48Å; G208-V211 PolarHBondContact O-N 3.41Å; V211-C214 PolarHBondContact O-N 3.21Å; V211-S215 WeakPolarHBondContact O-CB 3.44Å; V211-S215 PolarHBondContact O-N 3.46Å; V211-S215 PolarHBondContact O-OG 3.25Å
212S71.4Confident65.4Low58 Ų5875 Ų7541%0.40642%0.423SS..Hα-helixtrans-62.3-43.6174.1-176.10000112G208 G209 S215 Q216G208-S212 WeakPolarHBondContact O-CB 3.45Å; G208-S212 PolarHBondContact O-N 3.47Å; G209-S212 WeakPolarHBondContact O-CB 3.4Å; G209-S212 PolarHBondContact O-N 3.22Å; S212-S215 PolarHBondContact O-N 2.83Å; S212-Q216 WeakPolarHBondContact O-CG 3.32Å; S212-Q216 PolarHBondContact O-N 3.01Å
213V65.8Low65.1Low67 Ų6775.3 Ų75.341%0.40642%0.421SS..Hα-helixtrans-63.2-45.4175.2169.10000111.3G209 L210 S215 Q216 L217G209-V213 WeakPolarHBondContact O-CG2 3.48Å; G209-V213 PolarHBondContact O-N 3.49Å; L210-V213 PolarHBondContact O-N 3.01Å; V213-S215 VanDerWaalsContact C-N 3.31Å; V213-S215 PolarHBondContact O-N 3.17Å; V213-Q216 PolarHBondContact O-N 3.43Å; V213-L217 HydrophobicContact CG1-CD1 3.73Å; V213-L217 VanDerWaalsContact O-CD1 3.3Å; V213-L217 WeakPolarHBondContact O-CD1 3.24Å; V213-L217 VanDerWaalsContact O-CG 3.27Å; V213-L217 WeakPolarHBondContact O-CG 3.44Å; V213-L217 PolarHBondContact O-N 3.16Å
214C66.2Low64.8Low7 Ų779.4 Ų79.45%0.04744%0.44CS..Hα-helixtrans-58.8-42.8174.8-66.10000112L210 V211 Q216 L217 K218L210-C214 PolarHBondContact O-N 3.24Å; L210-C214 PolarHBondContact O-SG 2.93Å; V211-C214 PolarHBondContact O-N 3.21Å; C214-Q216 PolarHBondContact O-N 3.4Å; C214-L217 PolarHBondContact O-N 3.4Å; C214-K218 PolarHBondContact O-N 2.95Å
215S70.5Confident64.3Low50 Ų5085.4 Ų85.435%0.3547%0.468SS..Hα-helixtrans-63.5-39.4177.5-58.60000112.4V211 S212 V213 K218 H219V211-S215 WeakPolarHBondContact O-CB 3.44Å; V211-S215 PolarHBondContact O-N 3.46Å; V211-S215 PolarHBondContact O-OG 3.25Å; S212-S215 PolarHBondContact O-N 2.83Å; V213-S215 VanDerWaalsContact C-N 3.31Å; V213-S215 PolarHBondContact O-N 3.17Å; S215-K218 VanDerWaalsContact O-CB 3.24Å; S215-K218 WeakPolarHBondContact O-CB 3.41Å; S215-K218 PolarHBondContact O-N 2.85Å; S215-H219 PolarHBondContact O-CD2 3.46Å; S215-H219 VanDerWaalsContact O-CD2 3.31Å
216Q69.1Low64.3Low125 Ų12586 Ų8658%0.58446%0.463SS*.Hα-helixtrans-67.9-39.5175.8-70.9173.120.600112.1S212 V213 C214 K218 H219S212-Q216 WeakPolarHBondContact O-CG 3.32Å; S212-Q216 PolarHBondContact O-N 3.01Å; V213-Q216 PolarHBondContact O-N 3.43Å; C214-Q216 PolarHBondContact O-N 3.4Å; Q216-K218 PolarHBondContact O-N 3.36Å; Q216-H219 PolarHBondContact O-N 2.96Å; Q216-H219 VanDerWaalsContact O-N 3.15Å
217L62.2Low64.4Low41 Ų4188.4 Ų88.422%0.21547%0.467CS..Hα-helixtrans-63-29.9178.2-70.7155.5000112.6V213 C214 H219 L220 F230V213-L217 HydrophobicContact CG1-CD1 3.73Å; V213-L217 VanDerWaalsContact O-CD1 3.3Å; V213-L217 WeakPolarHBondContact O-CD1 3.24Å; V213-L217 VanDerWaalsContact O-CG 3.27Å; V213-L217 WeakPolarHBondContact O-CG 3.44Å; V213-L217 PolarHBondContact O-N 3.16Å; C214-L217 PolarHBondContact O-N 3.4Å; L217-H219 PolarHBondContact O-N 3.49Å; L217-H219 VanDerWaalsContact O-N 3.11Å; L217-L220 HydrophobicContact CD2-CD1 4.09Å; L217-L220 PolarHBondContact O-N 2.85Å; L217-L220 VanDerWaalsContact O-N 3.17Å; L217-F230 HydrophobicContact CD1-CD2 4.03Å; L217-F230 HydrophobicContact CD1-CE2 3.31Å; L217-F230 HydrophobicContact CD1-CZ 3.8Å; L217-F230 HydrophobicContact CD2-CD2 3.94Å; L217-F230 HydrophobicContact CD2-CE2 4.06Å; L217-F230 HydrophobicContact CG-CE2 4.36Å
218K65.5Low64.8Low127 Ų12794.7 Ų94.755%0.55250%0.496SS*.THydrogen-bonded Turntrans-57.5-20.9174.6-155.2174.3-157.3147.70114E182 C214 S215 Q216E182-K218 VanDerWaalsContact CD-NZ 3.28Å; E182-K218 IonicContact OE1-NZ 2.67Å; E182-K218 PolarHBondContact OE1-NZ 2.87Å; E182-K218 IonicContact OE2-NZ 2.68Å; E182-K218 PolarHBondContact OE2-NZ 3.17Å; C214-K218 PolarHBondContact O-N 2.95Å; S215-K218 VanDerWaalsContact O-CB 3.24Å; S215-K218 WeakPolarHBondContact O-CB 3.41Å; S215-K218 PolarHBondContact O-N 2.85Å; Q216-K218 PolarHBondContact O-N 3.36Å
219H65.9Low64.8Low154 Ų15497.6 Ų97.671%0.71350%0.498SS*.THydrogen-bonded Turntrans-104.40.5-177.9-64.9-64.7000114.3S215 Q216 L217 D221S215-H219 PolarHBondContact O-CD2 3.46Å; S215-H219 VanDerWaalsContact O-CD2 3.31Å; Q216-H219 PolarHBondContact O-N 2.96Å; Q216-H219 VanDerWaalsContact O-N 3.15Å; L217-H219 PolarHBondContact O-N 3.49Å; L217-H219 VanDerWaalsContact O-N 3.11Å; H219-D221 PolarHBondContact O-N 3.1Å; H219-D221 VanDerWaalsContact O-N 3.17Å
220L60.8Low64.5Low121 Ų12198.4 Ų98.463%0.63449%0.49SS*.  trans-83.792.8176.3-75.1167.7000110.4L217 E222L217-L220 HydrophobicContact CD2-CD1 4.09Å; L217-L220 PolarHBondContact O-N 2.85Å; L217-L220 VanDerWaalsContact O-N 3.17Å; L220-E222 PolarHBondContact O-N 3.5Å; L220-E222 VanDerWaalsContact O-N 3.09Å
221D57.8Low65Low137 Ų137101.2 Ų101.273%0.73351%0.505SS*.  trans-62.7-10.6178.6-101.1-40.5000114.7R171 H219 P223R171-D221 PolarHBondContact NH2-O 2.86Å; H219-D221 PolarHBondContact O-N 3.1Å; H219-D221 VanDerWaalsContact O-N 3.17Å; D221-P223 VanDerWaalsContact O-CD 3.29Å; D221-P223 WeakPolarHBondContact O-CD 3.47Å
222E58Low65.3Low173 Ų173101.9 Ų101.981%0.80851%0.507SS*.SBendtrans-101.799-171.9-158.8167.8-13100111.2L220L220-E222 PolarHBondContact O-N 3.5Å; L220-E222 VanDerWaalsContact O-N 3.09Å
223P50.6Low65.4Low66 Ų66103.1 Ų103.143%0.42951%0.514SS..  trans-85.9146.6-167.335.3-35.3000112.7D221 L225D221-P223 VanDerWaalsContact O-CD 3.29Å; D221-P223 WeakPolarHBondContact O-CD 3.47Å; P223-L225 PolarHBondContact O-N 3.42Å
224L55.3Low65.7Low107 Ų107102.5 Ų102.556%0.5651%0.509SS*.SBendtrans79-29158.6-57.4160.2000119.2R226 K227L224-R226 PolarHBondContact O-N 2.97Å; L224-R226 VanDerWaalsContact O-N 3.08Å; L224-K227 PolarHBondContact O-N 3.12Å
225L53.5Low66.2Low171 Ų171110 Ų11090%0.89554%0.536SS*.THydrogen-bonded Turntrans-68.9-9-173.4-107.1155.8000115.9P223P223-L225 PolarHBondContact O-N 3.42Å
226R66.3Low66.6Low175 Ų175113.8 Ų113.866%0.6655%0.551SS**THydrogen-bonded Turntrans-125.421.7174.7-67-176.8-177.5-114.410.8114L224 E228 E229 F230L224-R226 PolarHBondContact O-N 2.97Å; L224-R226 VanDerWaalsContact O-N 3.08Å; R226-E228 PolarHBondContact O-N 3.17Å; R226-E229 HydrophobicContact CB-CB 4.26Å; R226-E229 WeakPolarHBondContact CD-OE2 3.41Å; R226-E229 VanDerWaalsContact CG-OE2 3.28Å; R226-E229 WeakPolarHBondContact CG-OE2 3.46Å; R226-E229 IonicContact CZ-OE2 2.66Å; R226-E229 IonicContact NE-OE2 2.79Å; R226-E229 IonicContact NH1-OE1 2.89Å; R226-E229 IonicContact NH1-OE2 3.92Å; R226-E229 PolarHBondContact NH1-OE2 3.42Å; R226-E229 PolarHBondContact O-N 2.96Å; R226-F230 WeakPolarHBondContact O-CB 3.37Å; R226-F230 PolarHBondContact O-N 2.89Å
227K66.3Low66.8Low110 Ų110110.3 Ų110.348%0.47854%0.544SS..Hα-helixtrans-54.2-41.1-178.4-176-175.6175.6-171.20112.3L224 L231L224-K227 PolarHBondContact O-N 3.12Å; K227-L231 HydrophobicContact CG-CD1 4.21Å; K227-L231 WeakPolarHBondContact O-CG 3.41Å; K227-L231 PolarHBondContact O-N 2.99Å
228E73.9Confident67.4Low151 Ų151111.2 Ų111.271%0.70655%0.545SS*.Hα-helixtrans-73.7-40.6-179.6-171.7166.3-163.500112.7R226 F230 L231 N232R226-E228 PolarHBondContact O-N 3.17Å; E228-F230 VanDerWaalsContact C-N 3.34Å; E228-F230 PolarHBondContact O-N 2.9Å; E228-L231 PolarHBondContact O-N 2.84Å; E228-N232 WeakPolarHBondContact O-CB 3.49Å; E228-N232 VanDerWaalsContact O-CG 3.3Å; E228-N232 PolarHBondContact O-N 2.94Å; E228-N232 PolarHBondContact O-ND2 3.44Å
229E74.1Confident68.1Low103 Ų103106.6 Ų106.648%0.48153%0.534SS..Hα-helixtrans-59.3-45.4171.4-63.3-175.3169.200111.2R226 N232 C233R226-E229 HydrophobicContact CB-CB 4.26Å; R226-E229 WeakPolarHBondContact CD-OE2 3.41Å; R226-E229 VanDerWaalsContact CG-OE2 3.28Å; R226-E229 WeakPolarHBondContact CG-OE2 3.46Å; R226-E229 IonicContact CZ-OE2 2.66Å; R226-E229 IonicContact NE-OE2 2.79Å; R226-E229 IonicContact NH1-OE1 2.89Å; R226-E229 IonicContact NH1-OE2 3.92Å; R226-E229 PolarHBondContact NH1-OE2 3.42Å; R226-E229 PolarHBondContact O-N 2.96Å; E229-N232 PolarHBondContact O-N 3.11Å; E229-C233 PolarHBondContact O-N 2.74Å; E229-C233 PolarHBondContact O-SG 2.88Å; E229-C233 VanDerWaalsContact O-SG 3.37Å
230F67.3Low68.7Low56 Ų56103.3 Ų103.325%0.24653%0.528CS..Hα-helixtrans-60.8-49.1177.3169.3-112.4000112.3L217 R226 E228 N232 C233 L234L217-F230 HydrophobicContact CD1-CD2 4.03Å; L217-F230 HydrophobicContact CD1-CE2 3.31Å; L217-F230 HydrophobicContact CD1-CZ 3.8Å; L217-F230 HydrophobicContact CD2-CD2 3.94Å; L217-F230 HydrophobicContact CD2-CE2 4.06Å; L217-F230 HydrophobicContact CG-CE2 4.36Å; R226-F230 WeakPolarHBondContact O-CB 3.37Å; R226-F230 PolarHBondContact O-N 2.89Å; E228-F230 VanDerWaalsContact C-N 3.34Å; E228-F230 PolarHBondContact O-N 2.9Å; F230-N232 VanDerWaalsContact C-N 3.25Å; F230-N232 PolarHBondContact O-N 3.36Å; F230-C233 PolarHBondContact O-N 3.06Å; F230-L234 HydrophobicContact CE1-CD1 4.47Å; F230-L234 HydrophobicContact CE2-CB 4.45Å; F230-L234 HydrophobicContact CE2-CD1 3.97Å; F230-L234 HydrophobicContact CZ-CD1 3.62Å; F230-L234 WeakPolarHBondContact O-CB 3.29Å; F230-L234 PolarHBondContact O-N 3.36Å
231L74.8Confident69.3Low76 Ų7699.3 Ų99.340%0.39851%0.507SS..Hα-helixtrans-62.9-33.6177.5-72.7173.3000111.9K227 E228 R235K227-L231 HydrophobicContact CG-CD1 4.21Å; K227-L231 WeakPolarHBondContact O-CG 3.41Å; K227-L231 PolarHBondContact O-N 2.99Å; E228-L231 PolarHBondContact O-N 2.84Å; L231-R235 WeakPolarHBondContact O-CB 3.31Å; L231-R235 PolarHBondContact O-N 3.22Å
232N77.2Confident70.2Confident65 Ų6596.7 Ų96.735%0.34849%0.492SS..Hα-helixtrans-70.5-42.3173.4-75.4-31.5000112.4E228 E229 F230 L234 R235 L236E228-N232 WeakPolarHBondContact O-CB 3.49Å; E228-N232 VanDerWaalsContact O-CG 3.3Å; E228-N232 PolarHBondContact O-N 2.94Å; E228-N232 PolarHBondContact O-ND2 3.44Å; E229-N232 PolarHBondContact O-N 3.11Å; F230-N232 VanDerWaalsContact C-N 3.25Å; F230-N232 PolarHBondContact O-N 3.36Å; N232-L234 PolarHBondContact O-N 2.87Å; N232-R235 PolarHBondContact O-N 3.33Å; N232-R235 PolarHBondContact OD1-NH1 2.63Å; N232-L236 WeakPolarHBondContact O-CB 3.46Å; N232-L236 VanDerWaalsContact O-CG 3.24Å; N232-L236 WeakPolarHBondContact O-CG 3.48Å; N232-L236 PolarHBondContact O-N 3.07Å
233C72.1Confident71.4Confident83 Ų8391.8 Ų91.856%0.56148%0.477SS*.Hα-helixtrans-60.4-44.1172.9-72.40000112E229 F230 L236 A237E229-C233 PolarHBondContact O-N 2.74Å; E229-C233 PolarHBondContact O-SG 2.88Å; E229-C233 VanDerWaalsContact O-SG 3.37Å; F230-C233 PolarHBondContact O-N 3.06Å; C233-L236 PolarHBondContact O-N 3.18Å; C233-A237 WeakPolarHBondContact O-CB 3.4Å; C233-A237 PolarHBondContact O-N 3.44Å
234L72.2Confident72.8Confident54 Ų5491.9 Ų91.928%0.28348%0.479SS..Hα-helixtrans-66.9-42.5178.3-165.6130.3000111.2F230 N232 L236 A237 Y238F230-L234 HydrophobicContact CE1-CD1 4.47Å; F230-L234 HydrophobicContact CE2-CB 4.45Å; F230-L234 HydrophobicContact CE2-CD1 3.97Å; F230-L234 HydrophobicContact CZ-CD1 3.62Å; F230-L234 WeakPolarHBondContact O-CB 3.29Å; F230-L234 PolarHBondContact O-N 3.36Å; N232-L234 PolarHBondContact O-N 2.87Å; L234-L236 VanDerWaalsContact C-N 3.34Å; L234-L236 PolarHBondContact O-N 3.28Å; L234-A237 PolarHBondContact O-N 3.48Å; L234-Y238 HydrophobicContact CD2-CD2 3.7Å; L234-Y238 HydrophobicContact CD2-CE2 3.78Å; L234-Y238 HydrophobicContact CG-CD2 3.96Å; L234-Y238 HydrophobicContact CG-CE2 4.08Å; L234-Y238 WeakPolarHBondContact O-CB 3.28Å; L234-Y238 WeakPolarHBondContact O-CD2 3.45Å; L234-Y238 PolarHBondContact O-N 3.44Å
235R77.8Confident73.6Confident165 Ų16590.7 Ų90.762%0.62347%0.473SS*.Hα-helixtrans-60-40.4172.9-177.7-176.7-70.9137.7-7.4112.4L231 N232 G239L231-R235 WeakPolarHBondContact O-CB 3.31Å; L231-R235 PolarHBondContact O-N 3.22Å; N232-R235 PolarHBondContact O-N 3.33Å; N232-R235 PolarHBondContact OD1-NH1 2.63Å; R235-G239 PolarHBondContact O-N 3.1Å
236L78.2Confident75Confident129 Ų12988.3 Ų88.368%0.67546%0.457SS*.Hα-helixtrans-68.1-41.9176.3-74.2168.5000112.1N232 C233 L234 G239 S240N232-L236 WeakPolarHBondContact O-CB 3.46Å; N232-L236 VanDerWaalsContact O-CG 3.24Å; N232-L236 WeakPolarHBondContact O-CG 3.48Å; N232-L236 PolarHBondContact O-N 3.07Å; C233-L236 PolarHBondContact O-N 3.18Å; L234-L236 VanDerWaalsContact C-N 3.34Å; L234-L236 PolarHBondContact O-N 3.28Å; L236-G239 PolarHBondContact O-N 3.13Å; L236-S240 WeakPolarHBondContact O-CB 3.15Å; L236-S240 PolarHBondContact O-N 3.34Å
237A73.6Confident75.9Confident52 Ų5282.6 Ų82.643%0.4344%0.444SS..Hα-helixtrans-64.2-46.9176.800000111.8C233 L234 S240 M241C233-A237 WeakPolarHBondContact O-CB 3.4Å; C233-A237 PolarHBondContact O-N 3.44Å; L234-A237 PolarHBondContact O-N 3.48Å; A237-S240 PolarHBondContact O-N 3.3Å; A237-M241 WeakPolarHBondContact O-CB 3.44Å; A237-M241 PolarHBondContact O-N 2.84Å
238Y74.6Confident76.6Confident60 Ų6080.3 Ų80.324%0.23544%0.435CS..Hα-helixtrans-63-42.4173.8-92.1-84.1000112.4F185 L210 L234 S240 M241 L242F185-Y238 WeakPolarHBondContact CE1-OH 3.41Å; F185-Y238 WeakPolarHBondContact CZ-OH 3.42Å; L210-Y238 HydrophobicContact CD1-CE2 4.07Å; L210-Y238 HydrophobicContact CD2-CE2 4.04Å; L234-Y238 HydrophobicContact CD2-CD2 3.7Å; L234-Y238 HydrophobicContact CD2-CE2 3.78Å; L234-Y238 HydrophobicContact CG-CD2 3.96Å; L234-Y238 HydrophobicContact CG-CE2 4.08Å; L234-Y238 WeakPolarHBondContact O-CB 3.28Å; L234-Y238 WeakPolarHBondContact O-CD2 3.45Å; L234-Y238 PolarHBondContact O-N 3.44Å; Y238-S240 PolarHBondContact O-N 2.93Å; Y238-M241 HydrophobicContact CD1-CE 3.58Å; Y238-M241 HydrophobicContact CE1-CE 3.7Å; Y238-M241 HydrophobicContact CG-CE 4.18Å; Y238-M241 PolarHBondContact O-N 3.06Å; Y238-L242 WeakPolarHBondContact O-CB 3.44Å; Y238-L242 WeakPolarHBondContact O-CG 3.3Å; Y238-L242 PolarHBondContact O-N 3.21Å
239G80.7Confident76.8Confident30 Ų3075.9 Ų75.931%0.30943%0.425SS..Hα-helixtrans-59.6-45.8175.800000112.5R235 L236 M241 L242 S243R235-G239 PolarHBondContact O-N 3.1Å; L236-G239 PolarHBondContact O-N 3.13Å; G239-M241 PolarHBondContact O-N 3.41Å; G239-L242 PolarHBondContact O-N 3.44Å; G239-S243 PolarHBondContact O-N 2.91Å; G239-S243 PolarHBondContact O-OG 2.71Å
240S78.2Confident77.4Confident86 Ų8676.7 Ų76.760%0.60143%0.432SS*.Hα-helixtrans-61.4-42.8175.9-170.80000112.4L236 A237 Y238 S244L236-S240 WeakPolarHBondContact O-CB 3.15Å; L236-S240 PolarHBondContact O-N 3.34Å; A237-S240 PolarHBondContact O-N 3.3Å; Y238-S240 PolarHBondContact O-N 2.93Å; S240-S244 WeakPolarHBondContact O-CB 3.45Å; S240-S244 PolarHBondContact O-N 3.31Å
241M73Confident78.3Confident37 Ų3780.3 Ų80.318%0.18245%0.447CS..Hα-helixtrans-65.4-42.1177.2179.5168.750.100112.1C206 L210 A237 Y238 G239 S244 L245C206-M241 HydrophobicContact CB-SD 3.76Å; L210-M241 HydrophobicContact CD1-CE 3.95Å; A237-M241 WeakPolarHBondContact O-CB 3.44Å; A237-M241 PolarHBondContact O-N 2.84Å; Y238-M241 HydrophobicContact CD1-CE 3.58Å; Y238-M241 HydrophobicContact CE1-CE 3.7Å; Y238-M241 HydrophobicContact CG-CE 4.18Å; Y238-M241 PolarHBondContact O-N 3.06Å; G239-M241 PolarHBondContact O-N 3.41Å; M241-S244 PolarHBondContact O-N 3.11Å; M241-L245 HydrophobicContact CG-CD1 4.3Å; M241-L245 WeakPolarHBondContact O-CG 3.47Å; M241-L245 PolarHBondContact O-N 3.09Å
242L77.6Confident78.5Confident81 Ų8181.7 Ų81.742%0.42445%0.45SS..Hα-helixtrans-63.9-48.7175-72.9171.2000111.5Y238 G239 S244 L245 E246Y238-L242 WeakPolarHBondContact O-CB 3.44Å; Y238-L242 WeakPolarHBondContact O-CG 3.3Å; Y238-L242 PolarHBondContact O-N 3.21Å; G239-L242 PolarHBondContact O-N 3.44Å; L242-S244 VanDerWaalsContact C-N 3.26Å; L242-S244 PolarHBondContact O-N 3.04Å; L242-L245 PolarHBondContact O-N 3.18Å; L242-L245 VanDerWaalsContact O-N 3.13Å; L242-E246 WeakPolarHBondContact O-CB 3.35Å; L242-E246 WeakPolarHBondContact O-CG 3.41Å; L242-E246 PolarHBondContact O-N 3.44Å
243S83.4Confident78.7Confident70 Ų7083.6 Ų83.649%0.4946%0.46SS..Hα-helixtrans-62.6-31.8176.7-63.80000113.1G239 S247G239-S243 PolarHBondContact O-N 2.91Å; G239-S243 PolarHBondContact O-OG 2.71Å; S243-S247 WeakPolarHBondContact O-CB 3.31Å; S243-S247 PolarHBondContact O-N 3.05Å
244S78.7Confident79.4Confident68 Ų6885.7 Ų85.748%0.47646%0.462SS..Hα-helixtrans-64.2-50.3171.6-169.20000111.2S240 M241 L242 E246 S247 E248S240-S244 WeakPolarHBondContact O-CB 3.45Å; S240-S244 PolarHBondContact O-N 3.31Å; M241-S244 PolarHBondContact O-N 3.11Å; L242-S244 VanDerWaalsContact C-N 3.26Å; L242-S244 PolarHBondContact O-N 3.04Å; S244-E246 PolarHBondContact O-N 3.36Å; S244-S247 PolarHBondContact O-N 2.81Å; S244-S247 PolarHBondContact O-OG 3.31Å; S244-E248 PolarHBondContact O-N 2.88Å
245L72.6Confident80Confident82 Ų8289 Ų8943%0.42948%0.476SS..Hα-helixtrans-63.1-39.6178.3-73.1167.6000112.5M241 L242 S247 E248 A249M241-L245 HydrophobicContact CG-CD1 4.3Å; M241-L245 WeakPolarHBondContact O-CG 3.47Å; M241-L245 PolarHBondContact O-N 3.09Å; L242-L245 PolarHBondContact O-N 3.18Å; L242-L245 VanDerWaalsContact O-N 3.13Å; L245-S247 VanDerWaalsContact C-N 3.34Å; L245-E248 PolarHBondContact O-N 2.66Å; L245-A249 VanDerWaalsContact O-CB 3.28Å; L245-A249 WeakPolarHBondContact O-CB 3.22Å; L245-A249 PolarHBondContact O-N 3.3Å
246E83.3Confident80Confident122 Ų12284.3 Ų84.357%0.5746%0.463SS*.Hα-helixtrans-60.6-43.1172.9-73.517415900111.3L242 S244 E248 A249 L250L242-E246 WeakPolarHBondContact O-CB 3.35Å; L242-E246 WeakPolarHBondContact O-CG 3.41Å; L242-E246 PolarHBondContact O-N 3.44Å; S244-E246 PolarHBondContact O-N 3.36Å; E246-E248 VanDerWaalsContact C-N 3.33Å; E246-E248 PolarHBondContact O-N 2.81Å; E246-A249 PolarHBondContact O-N 2.89Å; E246-L250 WeakPolarHBondContact O-CB 3.31Å; E246-L250 VanDerWaalsContact O-CG 3.31Å; E246-L250 WeakPolarHBondContact O-CG 3.48Å; E246-L250 PolarHBondContact O-N 3.02Å
247S85.2Confident80.2Confident55 Ų5581.6 Ų81.639%0.38545%0.454SS..Hα-helixtrans-66.2-34.217882.60000113S243 S244 L245 K251S243-S247 WeakPolarHBondContact O-CB 3.31Å; S243-S247 PolarHBondContact O-N 3.05Å; S244-S247 PolarHBondContact O-N 2.81Å; S244-S247 PolarHBondContact O-OG 3.31Å; L245-S247 VanDerWaalsContact C-N 3.34Å; S247-K251 WeakPolarHBondContact O-CG 3.12Å; S247-K251 PolarHBondContact O-N 3.33Å
248E80.3Confident80.6Confident61 Ų6182.5 Ų82.529%0.28545%0.452SS..Hα-helixtrans-77.3-39.7177.9-169.2167.1-16100111.4S244 L245 E246 L250 K251 F252S244-E248 PolarHBondContact O-N 2.88Å; L245-E248 PolarHBondContact O-N 2.66Å; E246-E248 VanDerWaalsContact C-N 3.33Å; E246-E248 PolarHBondContact O-N 2.81Å; E248-L250 VanDerWaalsContact C-N 3.31Å; E248-L250 PolarHBondContact O-N 3.47Å; E248-K251 PolarHBondContact O-N 3.39Å; E248-F252 HydrophobicContact CG-CD2 4.09Å; E248-F252 HydrophobicContact CG-CE2 4.08Å; E248-F252 WeakPolarHBondContact O-CD2 3.41Å; E248-F252 PolarHBondContact O-N 2.96Å
249A78.8Confident80.6Confident59 Ų5982.9 Ų82.949%0.48846%0.464SS..Hα-helixtrans-61.4-38171.800000112.3L245 E246 F252 N253L245-A249 VanDerWaalsContact O-CB 3.28Å; L245-A249 WeakPolarHBondContact O-CB 3.22Å; L245-A249 PolarHBondContact O-N 3.3Å; E246-A249 PolarHBondContact O-N 2.89Å; A249-F252 PolarHBondContact O-N 2.96Å; A249-N253 WeakPolarHBondContact O-CB 3.43Å; A249-N253 PolarHBondContact O-N 3.29Å
250L87.2Confident80.5Confident120 Ų12087.6 Ų87.663%0.62848%0.476SS*.Hα-helixtrans-63.6-44.3173.4-77.8169.7000112.1E246 E248 N253 E254E246-L250 WeakPolarHBondContact O-CB 3.31Å; E246-L250 VanDerWaalsContact O-CG 3.31Å; E246-L250 WeakPolarHBondContact O-CG 3.48Å; E246-L250 PolarHBondContact O-N 3.02Å; E248-L250 VanDerWaalsContact C-N 3.31Å; E248-L250 PolarHBondContact O-N 3.47Å; L250-N253 PolarHBondContact O-N 2.9Å; L250-E254 PolarHBondContact O-N 2.89Å
251K85.5Confident80.5Confident132 Ų13289.8 Ų89.857%0.57448%0.476SS*.Hα-helixtrans-60.2-47.6174.1-73173.9-178.4174.30112S247 E248 N253 E254 E255S247-K251 WeakPolarHBondContact O-CG 3.12Å; S247-K251 PolarHBondContact O-N 3.33Å; E248-K251 PolarHBondContact O-N 3.39Å; K251-N253 VanDerWaalsContact C-N 3.27Å; K251-N253 PolarHBondContact O-N 3.31Å; K251-E254 PolarHBondContact O-N 3.41Å; K251-E255 WeakPolarHBondContact O-CG 3.48Å; K251-E255 PolarHBondContact O-N 2.89Å
252F78Confident80.8Confident105 Ų10594.9 Ų94.946%0.46150%0.497SS..Hα-helixtrans-60.2-36.6176.3-91.4-67.7000112.5V199 E248 A249 L256V199-F252 HydrophobicContact CG1-CE2 4.43Å; V199-F252 HydrophobicContact CG2-CE2 3.84Å; V199-F252 HydrophobicContact CG2-CZ 3.71Å; E248-F252 HydrophobicContact CG-CD2 4.09Å; E248-F252 HydrophobicContact CG-CE2 4.08Å; E248-F252 WeakPolarHBondContact O-CD2 3.41Å; E248-F252 PolarHBondContact O-N 2.96Å; A249-F252 PolarHBondContact O-N 2.96Å; F252-L256 VanDerWaalsContact O-CB 3.23Å; F252-L256 WeakPolarHBondContact O-CB 3.48Å; F252-L256 PolarHBondContact O-N 3.33Å
253N81.4Confident80.7Confident104 Ų10493.2 Ų93.256%0.55650%0.496SS*.Hα-helixtrans-70.7-35.7176.7-169.852.4000112.4A249 L250 K251 S257A249-N253 WeakPolarHBondContact O-CB 3.43Å; A249-N253 PolarHBondContact O-N 3.29Å; L250-N253 PolarHBondContact O-N 2.9Å; K251-N253 VanDerWaalsContact C-N 3.27Å; K251-N253 PolarHBondContact O-N 3.31Å; N253-S257 WeakPolarHBondContact O-CB 3.29Å; N253-S257 PolarHBondContact O-N 3.13Å
254E87.6Confident80.3Confident128 Ų12894.1 Ų94.160%0.59850%0.501SS*.Hα-helixtrans-65.8-46.5172.1-172176.6-179.800111.4L250 K251 L256 S257 N258L250-E254 PolarHBondContact O-N 2.89Å; K251-E254 PolarHBondContact O-N 3.41Å; E254-L256 VanDerWaalsContact C-N 3.35Å; E254-L256 PolarHBondContact O-N 2.9Å; E254-S257 WeakPolarHBondContact O-CB 3.27Å; E254-S257 PolarHBondContact O-N 2.83Å; E254-N258 WeakPolarHBondContact O-CB 3.38Å; E254-N258 VanDerWaalsContact O-CG 3.26Å; E254-N258 PolarHBondContact O-N 3.49Å; E254-N258 PolarHBondContact O-ND2 3.28Å
255E85Confident80.4Confident124 Ų12494.6 Ų94.658%0.57950%0.501SS*.Hα-helixtrans-60.3-41.5173.8-72.4-176.8-17300112.4K251 N258 S259K251-E255 WeakPolarHBondContact O-CG 3.48Å; K251-E255 PolarHBondContact O-N 2.89Å; E255-N258 PolarHBondContact O-N 3.44Å; E255-S259 WeakPolarHBondContact O-CB 3.28Å; E255-S259 PolarHBondContact O-N 2.83Å
256L77.7Confident80.6Confident66 Ų6694.4 Ų94.435%0.34650%0.5SS..Hα-helixtrans-65.5-37.7175.5-173.867.6000111.9F252 E254 S259 K260F252-L256 VanDerWaalsContact O-CB 3.23Å; F252-L256 WeakPolarHBondContact O-CB 3.48Å; F252-L256 PolarHBondContact O-N 3.33Å; E254-L256 VanDerWaalsContact C-N 3.35Å; E254-L256 PolarHBondContact O-N 2.9Å; L256-S259 PolarHBondContact O-N 2.8Å; L256-K260 WeakPolarHBondContact O-CG 3.2Å; L256-K260 PolarHBondContact O-N 2.7Å
257S82Confident80.3Confident71 Ų7192.9 Ų92.950%0.49750%0.496SS..Hα-helixtrans-64.9-47.2174.3-1680000111.3N253 E254 S259 K260 E261N253-S257 WeakPolarHBondContact O-CB 3.29Å; N253-S257 PolarHBondContact O-N 3.13Å; E254-S257 WeakPolarHBondContact O-CB 3.27Å; E254-S257 PolarHBondContact O-N 2.83Å; S257-S259 VanDerWaalsContact C-N 3.26Å; S257-S259 PolarHBondContact O-N 3.44Å; S257-K260 PolarHBondContact O-N 2.86Å; S257-K260 VanDerWaalsContact O-N 3.16Å; S257-E261 PolarHBondContact O-N 2.91Å
258N81.3Confident80.1Confident71 Ų7193 Ų9338%0.3850%0.499SS..Hα-helixtrans-62.9-32.4175.7-68.6-27.9000112.2E254 E255 K262E254-N258 WeakPolarHBondContact O-CB 3.38Å; E254-N258 VanDerWaalsContact O-CG 3.26Å; E254-N258 PolarHBondContact O-N 3.49Å; E254-N258 PolarHBondContact O-ND2 3.28Å; E255-N258 PolarHBondContact O-N 3.44Å; N258-K262 WeakPolarHBondContact O-CG 3.47Å; N258-K262 PolarHBondContact O-N 2.88Å
259S74.6Confident80Confident69 Ų6994.9 Ų94.948%0.48351%0.511SS..Hα-helixtrans-69.1-41.9173.2-170.50000112.1E255 L256 S257 E261 K262 A263E255-S259 WeakPolarHBondContact O-CB 3.28Å; E255-S259 PolarHBondContact O-N 2.83Å; L256-S259 PolarHBondContact O-N 2.8Å; S257-S259 VanDerWaalsContact C-N 3.26Å; S257-S259 PolarHBondContact O-N 3.44Å; S259-E261 PolarHBondContact O-N 3.44Å; S259-K262 WeakPolarHBondContact O-CB 3.13Å; S259-K262 PolarHBondContact O-N 3.16Å; S259-A263 PolarHBondContact O-N 2.96Å
260K78.9Confident80.1Confident129 Ų12997 Ų9756%0.56151%0.509SS*.Hα-helixtrans-63-39.6174.6-75172.4-180175.30112.5L256 S257 K262 A263 C264L256-K260 WeakPolarHBondContact O-CG 3.2Å; L256-K260 PolarHBondContact O-N 2.7Å; S257-K260 PolarHBondContact O-N 2.86Å; S257-K260 VanDerWaalsContact O-N 3.16Å; K260-K262 VanDerWaalsContact C-N 3.32Å; K260-K262 PolarHBondContact O-N 3.12Å; K260-A263 WeakPolarHBondContact O-CB 3.3Å; K260-A263 PolarHBondContact O-N 3.12Å; K260-C264 PolarHBondContact O-N 3.19Å; K260-C264 PolarHBondContact O-SG 3.28Å; K260-C264 VanDerWaalsContact O-SG 3.41Å
261E78.1Confident79.8Confident132 Ų13294.2 Ų94.262%0.61750%0.504SS*.Hα-helixtrans-62-41174.3-169.9175.5-177.700111.6S257 S259 A263 C264 T265S257-E261 PolarHBondContact O-N 2.91Å; S259-E261 PolarHBondContact O-N 3.44Å; E261-A263 VanDerWaalsContact C-N 3.35Å; E261-A263 PolarHBondContact O-N 3.41Å; E261-C264 WeakPolarHBondContact O-CB 2.98Å; E261-C264 PolarHBondContact O-N 2.83Å; E261-T265 PolarHBondContact O-N 3.4Å; E261-T265 VanDerWaalsContact O-N 3.12Å
262K80.1Confident79.7Confident143 Ų14396 Ų9662%0.62251%0.507SS*.Hα-helixtrans-65.6-33172.8-69.4170.9-176.6176.90113.2N258 S259 K260 T265 I266N258-K262 WeakPolarHBondContact O-CG 3.47Å; N258-K262 PolarHBondContact O-N 2.88Å; S259-K262 WeakPolarHBondContact O-CB 3.13Å; S259-K262 PolarHBondContact O-N 3.16Å; K260-K262 VanDerWaalsContact C-N 3.32Å; K260-K262 PolarHBondContact O-N 3.12Å; K262-T265 PolarHBondContact O-N 3.34Å; K262-T265 PolarHBondContact O-OG1 3.47Å; K262-I266 WeakPolarHBondContact O-CG1 3.47Å; K262-I266 PolarHBondContact O-N 2.82Å; K262-I266 VanDerWaalsContact O-N 3.1Å
263A74.6Confident79.7Confident47 Ų4795.3 Ų95.339%0.38851%0.508SS..Hα-helixtrans-64.8-42.5172.500000111.4S259 K260 E261 T265 I266 D267S259-A263 PolarHBondContact O-N 2.96Å; K260-A263 WeakPolarHBondContact O-CB 3.3Å; K260-A263 PolarHBondContact O-N 3.12Å; E261-A263 VanDerWaalsContact C-N 3.35Å; E261-A263 PolarHBondContact O-N 3.41Å; A263-T265 VanDerWaalsContact C-N 3.33Å; A263-T265 PolarHBondContact O-N 2.86Å; A263-I266 WeakPolarHBondContact O-CB 3.19Å; A263-I266 PolarHBondContact O-N 3.1Å; A263-D267 PolarHBondContact O-N 3.48Å; A263-D267 VanDerWaalsContact O-N 3.08Å
264C75.7Confident79.7Confident89 Ų8995.4 Ų95.460%0.60151%0.512SS*.Hα-helixtrans-61.1-37.8174.9-67.40000112.9K260 E261 D267 A268K260-C264 PolarHBondContact O-N 3.19Å; K260-C264 PolarHBondContact O-SG 3.28Å; K260-C264 VanDerWaalsContact O-SG 3.41Å; E261-C264 WeakPolarHBondContact O-CB 2.98Å; E261-C264 PolarHBondContact O-N 2.83Å; C264-D267 PolarHBondContact O-N 3.45Å; C264-A268 PolarHBondContact O-N 2.95Å; C264-A268 VanDerWaalsContact O-N 3.11Å
265T81.2Confident79.5Confident77 Ų7792 Ų9247%0.47250%0.502SS..Hα-helixtrans-71.2-33.3175.9610000112.5E261 K262 A263 A268 L269E261-T265 PolarHBondContact O-N 3.4Å; E261-T265 VanDerWaalsContact O-N 3.12Å; K262-T265 PolarHBondContact O-N 3.34Å; K262-T265 PolarHBondContact O-OG1 3.47Å; A263-T265 VanDerWaalsContact C-N 3.33Å; A263-T265 PolarHBondContact O-N 2.86Å; T265-A268 PolarHBondContact O-N 2.87Å; T265-L269 WeakPolarHBondContact O-CG 3.45Å; T265-L269 PolarHBondContact O-N 3.18Å
266I75.7Confident79.2Confident79 Ų7990.1 Ų90.141%0.40550%0.496SS..Hα-helixtrans-61.1-45.2171.8-72.3165.9000111K262 A263 A268 L269 K270K262-I266 WeakPolarHBondContact O-CG1 3.47Å; K262-I266 PolarHBondContact O-N 2.82Å; K262-I266 VanDerWaalsContact O-N 3.1Å; A263-I266 WeakPolarHBondContact O-CB 3.19Å; A263-I266 PolarHBondContact O-N 3.1Å; I266-A268 PolarHBondContact O-N 2.81Å; I266-L269 PolarHBondContact O-N 3.43Å; I266-L269 VanDerWaalsContact O-N 3.17Å; I266-K270 WeakPolarHBondContact O-CG 3.45Å; I266-K270 PolarHBondContact O-N 3.25Å
267D77.1Confident79.4Confident90 Ų9090.9 Ų90.948%0.48150%0.5SS..Hα-helixtrans-69.2-33.9179.5-72.1-22.9000112.6A263 C264 L269 K270 A271A263-D267 PolarHBondContact O-N 3.48Å; A263-D267 VanDerWaalsContact O-N 3.08Å; C264-D267 PolarHBondContact O-N 3.45Å; D267-L269 VanDerWaalsContact C-N 3.33Å; D267-L269 PolarHBondContact O-N 3.06Å; D267-K270 PolarHBondContact O-N 2.96Å; D267-K270 WeakPolarHBondContact OD1-CD 3.1Å; D267-K270 WeakPolarHBondContact OD1-CE 3.43Å; D267-K270 IonicContact OD1-NZ 3.52Å; D267-K270 PolarHBondContact OD1-NZ 2.97Å; D267-A271 PolarHBondContact O-N 3.23Å
268A81Confident79.4Confident56 Ų5690 Ų9046%0.46349%0.494SS..Hα-helixtrans-63.4-37.6169.600000112.4C264 T265 I266 R272C264-A268 PolarHBondContact O-N 2.95Å; C264-A268 VanDerWaalsContact O-N 3.11Å; T265-A268 PolarHBondContact O-N 2.87Å; I266-A268 PolarHBondContact O-N 2.81Å; A268-R272 WeakPolarHBondContact O-CG 3.46Å; A268-R272 PolarHBondContact O-N 2.65Å; A268-R272 VanDerWaalsContact O-N 3.11Å
269L77.9Confident79.4Confident101 Ų10191.9 Ų91.953%0.52950%0.501SS..Hα-helixtrans-69.5-39.5174.2-72.2170.3000112.2T265 I266 D267 A271 R272 L273T265-L269 WeakPolarHBondContact O-CG 3.45Å; T265-L269 PolarHBondContact O-N 3.18Å; I266-L269 PolarHBondContact O-N 3.43Å; I266-L269 VanDerWaalsContact O-N 3.17Å; D267-L269 VanDerWaalsContact C-N 3.33Å; D267-L269 PolarHBondContact O-N 3.06Å; L269-A271 PolarHBondContact O-N 3.35Å; L269-R272 PolarHBondContact O-N 3.5Å; L269-L273 WeakPolarHBondContact O-CB 3.35Å; L269-L273 PolarHBondContact O-N 2.88Å
270K80.9Confident79.8Confident103 Ų10392.7 Ų92.745%0.44850%0.503SS..Hα-helixtrans-58.3-46171.7-70.4174.9-168.8157.10111.4I266 D267 R272 L273 V274I266-K270 WeakPolarHBondContact O-CG 3.45Å; I266-K270 PolarHBondContact O-N 3.25Å; D267-K270 PolarHBondContact O-N 2.96Å; D267-K270 WeakPolarHBondContact OD1-CD 3.1Å; D267-K270 WeakPolarHBondContact OD1-CE 3.43Å; D267-K270 IonicContact OD1-NZ 3.52Å; D267-K270 PolarHBondContact OD1-NZ 2.97Å; K270-R272 VanDerWaalsContact C-N 3.34Å; K270-R272 PolarHBondContact O-N 3.43Å; K270-L273 PolarHBondContact O-N 3.07Å; K270-V274 WeakPolarHBondContact O-CG2 3.28Å; K270-V274 PolarHBondContact O-N 3.32Å
271A81.9Confident80.2Confident63 Ų6391.8 Ų91.852%0.52150%0.501SS..Hα-helixtrans-61.4-41.1177.900000112.2D267 L269 S275D267-A271 PolarHBondContact O-N 3.23Å; L269-A271 PolarHBondContact O-N 3.35Å; A271-S275 PolarHBondContact O-N 2.81Å
272R83.7Confident80.5Confident168 Ų16891.3 Ų91.363%0.63450%0.5SS*.Hα-helixtrans-65.2-38.9173.2-72.4178.466.7-172.3-0.8112.6A268 L269 K270 S275 N276A268-R272 WeakPolarHBondContact O-CG 3.46Å; A268-R272 PolarHBondContact O-N 2.65Å; A268-R272 VanDerWaalsContact O-N 3.11Å; L269-R272 PolarHBondContact O-N 3.5Å; K270-R272 VanDerWaalsContact C-N 3.34Å; K270-R272 PolarHBondContact O-N 3.43Å; R272-S275 WeakPolarHBondContact O-CB 3.21Å; R272-S275 PolarHBondContact O-N 3.41Å; R272-N276 PolarHBondContact O-N 3.45Å; R272-N276 PolarHBondContact O-OD1 2.82Å
273L77.1Confident80.7Confident92 Ų9289.8 Ų89.848%0.48250%0.498SS..Hα-helixtrans-64.3-45.7177.5-173.965.1000111.6F107 L269 K270 S275 N276 D277F107-L273 HydrophobicContact CE2-CD2 4.04Å; F107-L273 HydrophobicContact CZ-CD2 3.68Å; L269-L273 WeakPolarHBondContact O-CB 3.35Å; L269-L273 PolarHBondContact O-N 2.88Å; K270-L273 PolarHBondContact O-N 3.07Å; L273-S275 VanDerWaalsContact C-N 3.32Å; L273-S275 PolarHBondContact O-N 3.48Å; L273-N276 PolarHBondContact O-N 2.85Å; L273-D277 PolarHBondContact O-N 3.14Å
274V81.6Confident81.2Confident106 Ų10693.5 Ų93.564%0.64251%0.507SS*.Hα-helixtrans-61.9-39.3174.9173.70000111.5K270 D277 S278K270-V274 WeakPolarHBondContact O-CG2 3.28Å; K270-V274 PolarHBondContact O-N 3.32Å; V274-D277 PolarHBondContact O-N 2.83Å; V274-S278 PolarHBondContact O-N 2.89Å; V274-S278 VanDerWaalsContact O-N 3.1Å
275S82.4Confident81.8Confident56 Ų5693.6 Ų93.639%0.39250%0.501SS..Hα-helixtrans-60.8-46.1172.7-176.60000111.9A271 R272 L273 S278 Q279A271-S275 PolarHBondContact O-N 2.81Å; R272-S275 WeakPolarHBondContact O-CB 3.21Å; R272-S275 PolarHBondContact O-N 3.41Å; L273-S275 VanDerWaalsContact C-N 3.32Å; L273-S275 PolarHBondContact O-N 3.48Å; S275-S278 PolarHBondContact O-N 3.46Å; S275-S278 PolarHBondContact O-OG 3.46Å; S275-Q279 PolarHBondContact O-N 2.76Å; S275-Q279 VanDerWaalsContact O-N 3.13Å
276N80.3Confident82Confident84 Ų8492.7 Ų92.745%0.44950%0.501SS..Hα-helixtrans-67.1-34.9179.1-74.98.3000112.7R272 L273 Q279 T280R272-N276 PolarHBondContact O-N 3.45Å; R272-N276 PolarHBondContact O-OD1 2.82Å; L273-N276 PolarHBondContact O-N 2.85Å; N276-Q279 PolarHBondContact O-N 3.18Å; N276-T280 WeakPolarHBondContact O-CB 3.43Å; N276-T280 PolarHBondContact O-N 2.96Å; N276-T280 PolarHBondContact O-OG1 3.36Å
277D80.8Confident82.2Confident83 Ų8392.8 Ų92.844%0.44450%0.502SS..Hα-helixtrans-63.8-44.3174-170.962.9000110.8L273 V274 Q279 T280 Q281L273-D277 PolarHBondContact O-N 3.14Å; V274-D277 PolarHBondContact O-N 2.83Å; D277-Q279 VanDerWaalsContact C-N 3.29Å; D277-Q279 PolarHBondContact O-N 2.75Å; D277-T280 WeakPolarHBondContact O-CB 3.38Å; D277-T280 PolarHBondContact O-N 2.91Å; D277-T280 VanDerWaalsContact O-N 3.07Å; D277-Q281 WeakPolarHBondContact O-CG 3.48Å; D277-Q281 PolarHBondContact O-N 3.49Å; D277-Q281 PolarHBondContact OD2-NE2 3.34Å
278S81.6Confident82.6Confident53 Ų5392.8 Ų92.837%0.37150%0.499SS..Hα-helixtrans-60.2-36.5174.879.70000113.2V274 S275 M282V274-S278 PolarHBondContact O-N 2.89Å; V274-S278 VanDerWaalsContact O-N 3.1Å; S275-S278 PolarHBondContact O-N 3.46Å; S275-S278 PolarHBondContact O-OG 3.46Å; S278-M282 WeakPolarHBondContact O-CG 3.16Å; S278-M282 PolarHBondContact O-N 3.4Å
279Q83.2Confident83Confident110 Ų11096.9 Ų96.951%0.51451%0.506SS..Hα-helixtrans-68.8-40173.6-70.8-178.4-8.900112S275 N276 D277 M282 L283S275-Q279 PolarHBondContact O-N 2.76Å; S275-Q279 VanDerWaalsContact O-N 3.13Å; N276-Q279 PolarHBondContact O-N 3.18Å; D277-Q279 VanDerWaalsContact C-N 3.29Å; D277-Q279 PolarHBondContact O-N 2.75Å; Q279-M282 HydrophobicContact CG-CE 4.21Å; Q279-M282 PolarHBondContact O-N 2.99Å; Q279-L283 WeakPolarHBondContact O-CB 3.38Å; Q279-L283 PolarHBondContact O-N 3.06Å
280T82.6Confident83.2Confident85 Ų8597.2 Ų97.252%0.52151%0.508SS..Hα-helixtrans-63-43.3176-55.70000111.2N276 D277 L283 H284N276-T280 WeakPolarHBondContact O-CB 3.43Å; N276-T280 PolarHBondContact O-N 2.96Å; N276-T280 PolarHBondContact O-OG1 3.36Å; D277-T280 WeakPolarHBondContact O-CB 3.38Å; D277-T280 PolarHBondContact O-N 2.91Å; D277-T280 VanDerWaalsContact O-N 3.07Å; T280-L283 PolarHBondContact O-N 3.29Å; T280-H284 WeakPolarHBondContact O-CB 3.3Å; T280-H284 PolarHBondContact O-N 3.45Å
281Q86.2Confident83.2Confident111 Ų11198.8 Ų98.852%0.51952%0.515SS..Hα-helixtrans-63.2-42.3174.1-67.8-177.42500112D277 H284 I285D277-Q281 WeakPolarHBondContact O-CG 3.48Å; D277-Q281 PolarHBondContact O-N 3.49Å; D277-Q281 PolarHBondContact OD2-NE2 3.34Å; Q281-H284 PolarHBondContact O-N 3Å; Q281-I285 VanDerWaalsContact O-CG1 3.31Å; Q281-I285 WeakPolarHBondContact O-CG1 3.43Å; Q281-I285 PolarHBondContact O-N 3.07Å
282M84.8Confident83.4Confident121 Ų12199.9 Ų99.960%0.59651%0.512SS*.Hα-helixtrans-62.3-41.5174-75.7-168.6-65.600112.4S278 Q279 I285 A286S278-M282 WeakPolarHBondContact O-CG 3.16Å; S278-M282 PolarHBondContact O-N 3.4Å; Q279-M282 HydrophobicContact CG-CE 4.21Å; Q279-M282 PolarHBondContact O-N 2.99Å; M282-I285 PolarHBondContact O-N 3.01Å; M282-A286 WeakPolarHBondContact O-CB 3.42Å; M282-A286 PolarHBondContact O-N 3.36Å
283L83.9Confident83.5Confident111 Ų11195 Ų9558%0.58150%0.503SS*.Hα-helixtrans-62.5-44.5175.2-167.886.6000111.1Q279 T280 I285 A286 L287Q279-L283 WeakPolarHBondContact O-CB 3.38Å; Q279-L283 PolarHBondContact O-N 3.06Å; T280-L283 PolarHBondContact O-N 3.29Å; L283-I285 PolarHBondContact O-N 3.26Å; L283-A286 PolarHBondContact O-N 2.96Å; L283-L287 HydrophobicContact CD2-CD1 4.26Å; L283-L287 HydrophobicContact CG-CD1 4.21Å; L283-L287 WeakPolarHBondContact O-CB 3.4Å; L283-L287 WeakPolarHBondContact O-CG 3.11Å; L283-L287 PolarHBondContact O-N 3.46Å
284H85.5Confident83.4Confident125 Ų12593.7 Ų93.758%0.57950%0.499SS*.Hα-helixtrans-60.4-43.9176.7-172-74.6000111.8T280 Q281 A286 L287 Q288T280-H284 WeakPolarHBondContact O-CB 3.3Å; T280-H284 PolarHBondContact O-N 3.45Å; Q281-H284 PolarHBondContact O-N 3Å; H284-A286 VanDerWaalsContact C-N 3.34Å; H284-A286 PolarHBondContact O-N 3.3Å; H284-L287 PolarHBondContact O-N 3.49Å; H284-Q288 WeakPolarHBondContact O-CB 3.01Å; H284-Q288 PolarHBondContact O-N 3.11Å
285I89.4Confident83.4Confident92 Ų9291 Ų9147%0.47249%0.488SS..Hα-helixtrans-64.5-37.7175.5-68.1165000111.4Q281 M282 L283 K289Q281-I285 VanDerWaalsContact O-CG1 3.31Å; Q281-I285 WeakPolarHBondContact O-CG1 3.43Å; Q281-I285 PolarHBondContact O-N 3.07Å; M282-I285 PolarHBondContact O-N 3.01Å; L283-I285 PolarHBondContact O-N 3.26Å; I285-K289 HydrophobicContact CG2-CD 4.44Å; I285-K289 WeakPolarHBondContact O-CG 3.47Å; I285-K289 PolarHBondContact O-N 2.77Å; I285-K289 VanDerWaalsContact O-N 3.16Å
286A83.7Confident83.6Confident57 Ų5794 Ų9447%0.47150%0.496SS..Hα-helixtrans-68-42.6176.600000112.2M282 L283 H284 K289 L290M282-A286 WeakPolarHBondContact O-CB 3.42Å; M282-A286 PolarHBondContact O-N 3.36Å; L283-A286 PolarHBondContact O-N 2.96Å; H284-A286 VanDerWaalsContact C-N 3.34Å; H284-A286 PolarHBondContact O-N 3.3Å; A286-K289 PolarHBondContact O-N 3.32Å; A286-L290 PolarHBondContact O-N 3.33Å; A286-L290 VanDerWaalsContact O-N 3.1Å
287L80.2Confident83.6Confident81 Ų8193.9 Ų93.942%0.42450%0.495SS..Hα-helixtrans-64.2-43.3175-74.2169.8000111.8L283 H284 K289 L290 F291L283-L287 HydrophobicContact CD2-CD1 4.26Å; L283-L287 HydrophobicContact CG-CD1 4.21Å; L283-L287 WeakPolarHBondContact O-CB 3.4Å; L283-L287 WeakPolarHBondContact O-CG 3.11Å; L283-L287 PolarHBondContact O-N 3.46Å; H284-L287 PolarHBondContact O-N 3.49Å; L287-K289 PolarHBondContact O-N 2.71Å; L287-L290 WeakPolarHBondContact O-CB 3.46Å; L287-L290 PolarHBondContact O-N 3.34Å; L287-L290 VanDerWaalsContact O-N 3.12Å; L287-F291 HydrophobicContact CB-CE2 4.46Å; L287-F291 WeakPolarHBondContact O-CD2 3.37Å; L287-F291 PolarHBondContact O-N 2.68Å
288Q86.9Confident83.3Confident90 Ų9096 Ų9642%0.42150%0.5SS..Hα-helixtrans-58.4-47.3175.9-173.761.550.800111.3H284 L290 F291 D292H284-Q288 WeakPolarHBondContact O-CB 3.01Å; H284-Q288 PolarHBondContact O-N 3.11Å; Q288-L290 VanDerWaalsContact C-N 3.25Å; Q288-L290 PolarHBondContact O-N 3.42Å; Q288-F291 PolarHBondContact O-N 3.15Å; Q288-F291 VanDerWaalsContact O-N 3.12Å; Q288-D292 PolarHBondContact NE2-OD1 3.24Å; Q288-D292 PolarHBondContact O-N 2.9Å
289K88Confident83.4Confident142 Ų14298.2 Ų98.262%0.61751%0.508SS*.Hα-helixtrans-60.5-33.4176.3-73.8174.6179.3178.50113.2I285 A286 L287 S293I285-K289 HydrophobicContact CG2-CD 4.44Å; I285-K289 WeakPolarHBondContact O-CG 3.47Å; I285-K289 PolarHBondContact O-N 2.77Å; I285-K289 VanDerWaalsContact O-N 3.16Å; A286-K289 PolarHBondContact O-N 3.32Å; L287-K289 PolarHBondContact O-N 2.71Å; K289-S293 WeakPolarHBondContact O-CB 2.87Å; K289-S293 PolarHBondContact O-N 3.44Å
290L81.8Confident83.4Confident109 Ų10997.4 Ų97.457%0.57151%0.505SS*.Hα-helixtrans-68.1-45.4174.3-17765.3000111A286 L287 Q288 S293 V294A286-L290 PolarHBondContact O-N 3.33Å; A286-L290 VanDerWaalsContact O-N 3.1Å; L287-L290 WeakPolarHBondContact O-CB 3.46Å; L287-L290 PolarHBondContact O-N 3.34Å; L287-L290 VanDerWaalsContact O-N 3.12Å; Q288-L290 VanDerWaalsContact C-N 3.25Å; Q288-L290 PolarHBondContact O-N 3.42Å; L290-S293 PolarHBondContact O-N 2.68Å; L290-V294 WeakPolarHBondContact O-CG2 3.45Å; L290-V294 PolarHBondContact O-N 3.47Å
291F82.2Confident83Confident135 Ų13597.6 Ų97.659%0.59250%0.502SS*.Hα-helixtrans-61.6-43.7175.2-73.2-60.6000112.3L287 Q288 S293 V294 A295L287-F291 HydrophobicContact CB-CE2 4.46Å; L287-F291 WeakPolarHBondContact O-CD2 3.37Å; L287-F291 PolarHBondContact O-N 2.68Å; Q288-F291 PolarHBondContact O-N 3.15Å; Q288-F291 VanDerWaalsContact O-N 3.12Å; F291-S293 VanDerWaalsContact C-N 3.32Å; F291-S293 PolarHBondContact O-N 3.02Å; F291-V294 PolarHBondContact O-N 3.28Å; F291-A295 WeakPolarHBondContact O-CB 3.34Å; F291-A295 PolarHBondContact O-N 3.38Å
292D85.9Confident82.8Confident87 Ų8797.8 Ų97.847%0.46550%0.502SS..Hα-helixtrans-61.1-40.8176.9-60.6-21.8000111.4Q288 A295 H296Q288-D292 PolarHBondContact NE2-OD1 3.24Å; Q288-D292 PolarHBondContact O-N 2.9Å; D292-A295 PolarHBondContact O-N 2.95Å; D292-H296 PolarHBondContact O-N 3.1Å
293S85.1Confident83Confident64 Ų6499.9 Ų99.945%0.44851%0.505SS..Hα-helixtrans-65.5-43.1175.6-169.30000112.3K289 L290 F291 H296 D297K289-S293 WeakPolarHBondContact O-CB 2.87Å; K289-S293 PolarHBondContact O-N 3.44Å; L290-S293 PolarHBondContact O-N 2.68Å; F291-S293 VanDerWaalsContact C-N 3.32Å; F291-S293 PolarHBondContact O-N 3.02Å; S293-H296 PolarHBondContact O-N 2.94Å; S293-D297 PolarHBondContact O-N 2.87Å
294V75.9Confident83Confident65 Ų65101.2 Ų101.239%0.39450%0.502SS..Hα-helixtrans-66.5-39.3178.1170.10000110.9L290 F291 D297 F298L290-V294 WeakPolarHBondContact O-CG2 3.45Å; L290-V294 PolarHBondContact O-N 3.47Å; F291-V294 PolarHBondContact O-N 3.28Å; V294-D297 PolarHBondContact O-N 3.06Å; V294-F298 HydrophobicContact CG1-CD2 3.92Å; V294-F298 HydrophobicContact CG1-CE2 4.09Å; V294-F298 WeakPolarHBondContact O-CD2 3.46Å; V294-F298 PolarHBondContact O-N 2.91Å
295A81.7Confident82.7Confident50 Ų50100 Ų10041%0.41350%0.499SS..Hα-helixtrans-60.7-4517400000111.5F291 D292 D297 F298 D299F291-A295 WeakPolarHBondContact O-CB 3.34Å; F291-A295 PolarHBondContact O-N 3.38Å; D292-A295 PolarHBondContact O-N 2.95Å; A295-D297 PolarHBondContact O-N 3.05Å; A295-F298 WeakPolarHBondContact O-CB 3.49Å; A295-F298 PolarHBondContact O-N 3.23Å; A295-D299 PolarHBondContact O-N 3.39Å
296H86.8Confident82.7Confident120 Ų12099 Ų9956%0.55650%0.5SS*.Hα-helixtrans-60.7-41.5176.3-175.666.5000113.2D292 S293 D299 Q300D292-H296 PolarHBondContact O-N 3.1Å; S293-H296 PolarHBondContact O-N 2.94Å; H296-D299 PolarHBondContact O-N 3.3Å; H296-Q300 PolarHBondContact O-N 3.1Å
297D78.9Confident82.9Confident80 Ų80102.9 Ų102.943%0.42851%0.506SS..Hα-helixtrans-65.6-38.2175.5-75-23.3000111.7S293 V294 A295 Q300 I301S293-D297 PolarHBondContact O-N 2.87Å; V294-D297 PolarHBondContact O-N 3.06Å; A295-D297 PolarHBondContact O-N 3.05Å; D297-Q300 PolarHBondContact O-N 2.88Å; D297-I301 VanDerWaalsContact O-CG1 3.29Å; D297-I301 WeakPolarHBondContact O-CG1 3.3Å; D297-I301 PolarHBondContact O-N 3.23Å
298F74.9Confident83Confident127 Ų127104.9 Ų104.956%0.55751%0.512SS*.Hα-helixtrans-62.1-45.5173.2-99.5-80.2000112.3V294 A295 Q300 I301 Q302V294-F298 HydrophobicContact CG1-CD2 3.92Å; V294-F298 HydrophobicContact CG1-CE2 4.09Å; V294-F298 WeakPolarHBondContact O-CD2 3.46Å; V294-F298 PolarHBondContact O-N 2.91Å; A295-F298 WeakPolarHBondContact O-CB 3.49Å; A295-F298 PolarHBondContact O-N 3.23Å; F298-Q300 VanDerWaalsContact C-N 3.31Å; F298-Q300 PolarHBondContact O-N 2.97Å; F298-I301 PolarHBondContact O-N 3.41Å; F298-Q302 WeakPolarHBondContact O-CG 3.15Å; F298-Q302 PolarHBondContact O-N 3.5Å
299D84.8Confident83Confident100 Ų100106.8 Ų106.854%0.53552%0.52SS..Hα-helixtrans-61.1-40.8175.7-73.1-19.3000111.4A295 H296 I301 Q302 Y303A295-D299 PolarHBondContact O-N 3.39Å; H296-D299 PolarHBondContact O-N 3.3Å; D299-I301 VanDerWaalsContact C-N 3.33Å; D299-I301 PolarHBondContact O-N 3.19Å; D299-Q302 PolarHBondContact O-N 2.79Å; D299-Y303 WeakPolarHBondContact O-CB 3.34Å; D299-Y303 PolarHBondContact O-N 2.86Å
300Q81.9Confident83.1Confident94 Ų94103.4 Ų103.444%0.43952%0.515SS..Hα-helixtrans-63.8-38.7175.5-165.3-168.4101.400111.9H296 D297 F298 R304H296-Q300 PolarHBondContact O-N 3.1Å; D297-Q300 PolarHBondContact O-N 2.88Å; F298-Q300 VanDerWaalsContact C-N 3.31Å; F298-Q300 PolarHBondContact O-N 2.97Å; Q300-R304 VanDerWaalsContact O-CG 3.27Å; Q300-R304 WeakPolarHBondContact O-CG 3.3Å; Q300-R304 PolarHBondContact O-N 3.35Å; Q300-R304 VanDerWaalsContact O-N 3.1Å
301I74.7Confident83.5Confident89 Ų89101.2 Ų101.246%0.45651%0.506SS..Hα-helixtrans-65.9-46.4174.9-70.1164.4000110.6D297 F298 D299 Y303 R304 L305D297-I301 VanDerWaalsContact O-CG1 3.29Å; D297-I301 WeakPolarHBondContact O-CG1 3.3Å; D297-I301 PolarHBondContact O-N 3.23Å; F298-I301 PolarHBondContact O-N 3.41Å; D299-I301 VanDerWaalsContact C-N 3.33Å; D299-I301 PolarHBondContact O-N 3.19Å; I301-Y303 PolarHBondContact O-N 3.47Å; I301-R304 PolarHBondContact O-N 2.71Å; I301-L305 HydrophobicContact CG2-CD1 4.1Å; I301-L305 HydrophobicContact CG2-CG 4.48Å; I301-L305 WeakPolarHBondContact O-CG 3.32Å; I301-L305 PolarHBondContact O-N 3.11Å
302Q81.1Confident83.6Confident115 Ų11598.7 Ų98.754%0.53750%0.498SS..Hα-helixtrans-59.7-47177-71.4-171.522.200111.8F298 D299 R304 L305 C306F298-Q302 WeakPolarHBondContact O-CG 3.15Å; F298-Q302 PolarHBondContact O-N 3.5Å; D299-Q302 PolarHBondContact O-N 2.79Å; Q302-R304 VanDerWaalsContact C-N 3.28Å; Q302-R304 PolarHBondContact O-N 2.69Å; Q302-L305 WeakPolarHBondContact O-CB 3.47Å; Q302-L305 PolarHBondContact O-N 2.8Å; Q302-C306 PolarHBondContact O-N 2.99Å; Q302-C306 PolarHBondContact O-SG 3.28Å
303Y88.9Confident83.9Confident165 Ų16596 Ų9665%0.64749%0.49SS*.Hα-helixtrans-57.3-40.3175.6175.3-108.2000112.6D299 I301 K307D299-Y303 WeakPolarHBondContact O-CB 3.34Å; D299-Y303 PolarHBondContact O-N 2.86Å; I301-Y303 PolarHBondContact O-N 3.47Å; Y303-K307 PolarHBondContact O-N 3.17Å; Y303-K307 VanDerWaalsContact O-N 3.1Å
304R84.3Confident84.1Confident139 Ų13997.4 Ų97.453%0.52549%0.493SS..Hα-helixtrans-67.8-37.6175.1-72.1175.469.7-177.60.7112.4Q300 I301 Q302 K307 F308Q300-R304 VanDerWaalsContact O-CG 3.27Å; Q300-R304 WeakPolarHBondContact O-CG 3.3Å; Q300-R304 PolarHBondContact O-N 3.35Å; Q300-R304 VanDerWaalsContact O-N 3.1Å; I301-R304 PolarHBondContact O-N 2.71Å; Q302-R304 VanDerWaalsContact C-N 3.28Å; Q302-R304 PolarHBondContact O-N 2.69Å; R304-K307 PolarHBondContact O-N 3.26Å; R304-F308 WeakPolarHBondContact O-CD2 3.45Å; R304-F308 PolarHBondContact O-N 2.85Å
305L79.5Confident84.7Confident98 Ų9899.8 Ų99.851%0.51350%0.501SS..Hα-helixtrans-63.1-49.9174.7-72.4170.5000111.2I301 Q302 K307 F308 E309I301-L305 HydrophobicContact CG2-CD1 4.1Å; I301-L305 HydrophobicContact CG2-CG 4.48Å; I301-L305 WeakPolarHBondContact O-CG 3.32Å; I301-L305 PolarHBondContact O-N 3.11Å; Q302-L305 WeakPolarHBondContact O-CB 3.47Å; Q302-L305 PolarHBondContact O-N 2.8Å; L305-K307 PolarHBondContact O-N 3.23Å; L305-F308 CarbonylContact O-C 3.59Å; L305-F308 WeakPolarHBondContact O-CA 3.17Å; L305-F308 WeakPolarHBondContact O-CB 3.24Å; L305-F308 PolarHBondContact O-N 2.91Å; L305-E309 WeakPolarHBondContact O-CG 3.14Å; L305-E309 PolarHBondContact O-N 2.71Å
306C88.8Confident85.1Confident73 Ų73106 Ų10649%0.49351%0.514SS..Hα-helixtrans-58.4-36.1176.2-63.30000112.4Q302 E309 S310Q302-C306 PolarHBondContact O-N 2.99Å; Q302-C306 PolarHBondContact O-SG 3.28Å; C306-E309 PolarHBondContact O-N 3Å; C306-S310 PolarHBondContact O-N 3.42Å
307K88.9Confident85.4Confident137 Ų137103.4 Ų103.460%0.59651%0.509SS*.Hα-helixtrans-64.5-39.7173-172.7175.7-178.9176.70112.5Y303 R304 L305 V311Y303-K307 PolarHBondContact O-N 3.17Å; Y303-K307 VanDerWaalsContact O-N 3.1Å; R304-K307 PolarHBondContact O-N 3.26Å; L305-K307 PolarHBondContact O-N 3.23Å; K307-V311 WeakPolarHBondContact O-CG2 3.41Å; K307-V311 PolarHBondContact O-N 2.97Å
308F81.3Confident86.1Confident123 Ų123102.9 Ų102.954%0.53951%0.512SS..Hα-helixtrans-68.3-38.8174-74.5-59.4000112.3R304 L305 S310 V311 I312R304-F308 WeakPolarHBondContact O-CD2 3.45Å; R304-F308 PolarHBondContact O-N 2.85Å; L305-F308 CarbonylContact O-C 3.59Å; L305-F308 WeakPolarHBondContact O-CA 3.17Å; L305-F308 WeakPolarHBondContact O-CB 3.24Å; L305-F308 PolarHBondContact O-N 2.91Å; F308-S310 VanDerWaalsContact C-N 3.35Å; F308-S310 PolarHBondContact O-N 2.94Å; F308-V311 PolarHBondContact O-N 3.03Å; F308-I312 VanDerWaalsContact O-CG1 3.3Å; F308-I312 WeakPolarHBondContact O-CG1 3.29Å; F308-I312 PolarHBondContact O-N 2.88Å
309E87.7Confident86.7Confident130 Ų130102.1 Ų102.161%0.60751%0.513SS*.Hα-helixtrans-60.5-42.4175.6-70.2176.3148.800111.9L305 C306 I312 G313L305-E309 WeakPolarHBondContact O-CG 3.14Å; L305-E309 PolarHBondContact O-N 2.71Å; C306-E309 PolarHBondContact O-N 3Å; E309-I312 PolarHBondContact O-N 3.27Å; E309-G313 PolarHBondContact O-N 2.91Å
310S90.8Very high87Confident71 Ų71100.9 Ų100.950%0.49751%0.512SS..Hα-helixtrans-57.2-50172.8-170.40000111.7C306 F308 I312 G313 D314C306-S310 PolarHBondContact O-N 3.42Å; F308-S310 VanDerWaalsContact C-N 3.35Å; F308-S310 PolarHBondContact O-N 2.94Å; S310-I312 VanDerWaalsContact C-N 3.3Å; S310-I312 PolarHBondContact O-N 3.39Å; S310-G313 WeakPolarHBondContact O-CA 3.3Å; S310-G313 PolarHBondContact O-N 3.32Å; S310-D314 PolarHBondContact O-N 3.25Å
311V88.4Confident87.5Confident63 Ų63103.1 Ų103.138%0.38252%0.522SS..Hα-helixtrans-62.7-37179.1173.50000111.6K307 F308 G313 D314 M315K307-V311 WeakPolarHBondContact O-CG2 3.41Å; K307-V311 PolarHBondContact O-N 2.97Å; F308-V311 PolarHBondContact O-N 3.03Å; V311-G313 VanDerWaalsContact C-N 3.33Å; V311-D314 PolarHBondContact O-N 2.71Å; V311-M315 HydrophobicContact CG1-SD 4.32Å; V311-M315 WeakPolarHBondContact O-CB 3.29Å; V311-M315 VanDerWaalsContact O-CG 3.3Å; V311-M315 WeakPolarHBondContact O-CG 3.28Å; V311-M315 PolarHBondContact O-N 3.37Å
312I85.3Confident88.4Confident82 Ų82103.8 Ų103.842%0.42153%0.526SS..Hα-helixtrans-66.1-36.7173.7-69.8164.9000110.8F308 E309 S310 M315 R316F308-I312 VanDerWaalsContact O-CG1 3.3Å; F308-I312 WeakPolarHBondContact O-CG1 3.29Å; F308-I312 PolarHBondContact O-N 2.88Å; E309-I312 PolarHBondContact O-N 3.27Å; S310-I312 VanDerWaalsContact C-N 3.3Å; S310-I312 PolarHBondContact O-N 3.39Å; I312-M315 PolarHBondContact O-N 2.78Å; I312-R316 WeakPolarHBondContact O-CB 3.08Å; I312-R316 VanDerWaalsContact O-CG 3.29Å; I312-R316 WeakPolarHBondContact O-CG 3.38Å; I312-R316 PolarHBondContact O-N 3.45Å
313G91.7Very high88.9Confident30 Ų30102.6 Ų102.631%0.30952%0.524SS..Hα-helixtrans-61.6-45.9172.300000112.8E309 S310 V311 R316 S317E309-G313 PolarHBondContact O-N 2.91Å; S310-G313 WeakPolarHBondContact O-CA 3.3Å; S310-G313 PolarHBondContact O-N 3.32Å; V311-G313 VanDerWaalsContact C-N 3.33Å; G313-R316 PolarHBondContact O-N 2.94Å; G313-S317 WeakPolarHBondContact O-CB 3.47Å; G313-S317 PolarHBondContact O-N 2.95Å; G313-S317 PolarHBondContact O-OG 3.36Å
314D90.6Very high89.2Confident94 Ų9498 Ų9850%0.50352%0.516SS..Hα-helixtrans-63.2-42.8176.2-61.1-32.7000111.5S310 V311 S317 S318S310-D314 PolarHBondContact O-N 3.25Å; V311-D314 PolarHBondContact O-N 2.71Å; D314-S317 PolarHBondContact O-N 2.84Å; D314-S318 WeakPolarHBondContact O-CB 3.33Å; D314-S318 PolarHBondContact O-N 2.8Å; D314-S318 PolarHBondContact O-OG 3.13Å
315M87.8Confident89.7Confident115 Ų11593.8 Ų93.857%0.56751%0.51SS*.Hα-helixtrans-64-41.7175-73.6-179.572.200112.4V311 I312 S318 L319V311-M315 HydrophobicContact CG1-SD 4.32Å; V311-M315 WeakPolarHBondContact O-CB 3.29Å; V311-M315 VanDerWaalsContact O-CG 3.3Å; V311-M315 WeakPolarHBondContact O-CG 3.28Å; V311-M315 PolarHBondContact O-N 3.37Å; I312-M315 PolarHBondContact O-N 2.78Å; M315-S318 PolarHBondContact O-N 3.34Å; M315-L319 WeakPolarHBondContact O-CG 3.05Å; M315-L319 PolarHBondContact O-N 2.73Å
316R90.3Very high90.3Very high181 Ų18193.6 Ų93.668%0.68351%0.509SS*.Hα-helixtrans-63.3-41.7175.2-77.8175-179.8-178.52.3111.8I312 G313 S318 L319 S320I312-R316 WeakPolarHBondContact O-CB 3.08Å; I312-R316 VanDerWaalsContact O-CG 3.29Å; I312-R316 WeakPolarHBondContact O-CG 3.38Å; I312-R316 PolarHBondContact O-N 3.45Å; G313-R316 PolarHBondContact O-N 2.94Å; R316-S318 VanDerWaalsContact C-N 3.33Å; R316-L319 PolarHBondContact O-N 2.63Å; R316-S320 PolarHBondContact O-N 3.41Å
317S93.4Very high90.5Very high65 Ų6595.8 Ų95.846%0.45551%0.512SS..Hα-helixtrans-61.9-43.4175.5-55.70000111.1G313 D314 S320 Q321G313-S317 WeakPolarHBondContact O-CB 3.47Å; G313-S317 PolarHBondContact O-N 2.95Å; G313-S317 PolarHBondContact O-OG 3.36Å; D314-S317 PolarHBondContact O-N 2.84Å; S317-S320 PolarHBondContact O-N 3.12Å; S317-Q321 WeakPolarHBondContact O-CG 3.35Å; S317-Q321 PolarHBondContact O-N 3.02Å
318S93.2Very high90.8Very high70 Ų7095.5 Ų95.549%0.4951%0.513SS..Hα-helixtrans-64-40.3176.2-54.30000112.4D314 M315 R316 Q321 L322D314-S318 WeakPolarHBondContact O-CB 3.33Å; D314-S318 PolarHBondContact O-N 2.8Å; D314-S318 PolarHBondContact O-OG 3.13Å; M315-S318 PolarHBondContact O-N 3.34Å; R316-S318 VanDerWaalsContact C-N 3.33Å; S318-Q321 PolarHBondContact O-N 3.32Å; S318-L322 PolarHBondContact O-N 2.83Å
319L87.1Confident91.5Very high110 Ų11096.6 Ų96.658%0.57652%0.518SS*.Hα-helixtrans-66.2-39.3175-75.6168.8000112.2M315 R316 Q321 L322 D323M315-L319 WeakPolarHBondContact O-CG 3.05Å; M315-L319 PolarHBondContact O-N 2.73Å; R316-L319 PolarHBondContact O-N 2.63Å; L319-Q321 VanDerWaalsContact C-N 3.33Å; L319-Q321 PolarHBondContact O-N 3.09Å; L319-L322 PolarHBondContact O-N 3.16Å; L319-D323 PolarHBondContact O-N 2.79Å
320S92.1Very high91.7Very high74 Ų7495.6 Ų95.652%0.51751%0.513SS..Hα-helixtrans-64.7-35.9175.7-1710000112.5R316 S317 S324R316-S320 PolarHBondContact O-N 3.41Å; S317-S320 PolarHBondContact O-N 3.12Å; S320-S324 PolarHBondContact O-N 2.99Å; S320-S324 VanDerWaalsContact O-N 3.1Å; S320-S324 PolarHBondContact O-OG 2.97Å
321Q92.5Very high91.9Very high141 Ų14195 Ų9566%0.65951%0.509SS*.Hα-helixtrans-67.3-42.1172.6-70.11736.500111.5S317 S318 L319 S324 A325S317-Q321 WeakPolarHBondContact O-CG 3.35Å; S317-Q321 PolarHBondContact O-N 3.02Å; S318-Q321 PolarHBondContact O-N 3.32Å; L319-Q321 VanDerWaalsContact C-N 3.33Å; L319-Q321 PolarHBondContact O-N 3.09Å; Q321-S324 PolarHBondContact O-N 3.35Å; Q321-A325 PolarHBondContact O-N 3.47Å
322L92Very high92.3Very high103 Ų10396.5 Ų96.554%0.53951%0.514SS..Hα-helixtrans-64.6-40.3177-178.462.8000112.5S318 L319 A325 L326S318-L322 PolarHBondContact O-N 2.83Å; L319-L322 PolarHBondContact O-N 3.16Å; L322-A325 PolarHBondContact O-N 3.43Å; L322-L326 HydrophobicContact CG-CD1 4.35Å; L322-L326 WeakPolarHBondContact O-CB 3.38Å; L322-L326 PolarHBondContact O-N 3Å
323D92.7Very high92.6Very high91 Ų9195.7 Ų95.749%0.48752%0.516SS..Hα-helixtrans-63.5-43.4174.8-172.358.9000111.3L319 A325 L326 Q327L319-D323 PolarHBondContact O-N 2.79Å; D323-A325 VanDerWaalsContact C-N 3.35Å; D323-A325 PolarHBondContact O-N 3.13Å; D323-L326 WeakPolarHBondContact O-CB 3.5Å; D323-L326 PolarHBondContact O-N 2.6Å; D323-L326 VanDerWaalsContact O-N 3.12Å; D323-Q327 WeakPolarHBondContact O-CG 3.42Å; D323-Q327 PolarHBondContact O-N 3.37Å
324S95.1Very high92.8Very high69 Ų6999.8 Ų99.848%0.48353%0.527SS..Hα-helixtrans-58.8-44.2174.3-55.20000112.1S320 Q321 L326 Q327 E328S320-S324 PolarHBondContact O-N 2.99Å; S320-S324 VanDerWaalsContact O-N 3.1Å; S320-S324 PolarHBondContact O-OG 2.97Å; Q321-S324 PolarHBondContact O-N 3.35Å; S324-L326 VanDerWaalsContact C-N 3.34Å; S324-L326 PolarHBondContact O-N 2.93Å; S324-Q327 PolarHBondContact O-N 3.32Å; S324-E328 PolarHBondContact O-N 3.32Å
325A93.7Very high93.1Very high49 Ų4999.4 Ų99.441%0.40553%0.525SS..Hα-helixtrans-68.5-30176.400000113.1Q321 L322 D323 K329Q321-A325 PolarHBondContact O-N 3.47Å; L322-A325 PolarHBondContact O-N 3.43Å; D323-A325 VanDerWaalsContact C-N 3.35Å; D323-A325 PolarHBondContact O-N 3.13Å; A325-K329 WeakPolarHBondContact O-CB 3.23Å; A325-K329 PolarHBondContact O-N 2.94Å
326L92.1Very high93.3Very high94 Ų9499.3 Ų99.349%0.49253%0.526SS..Hα-helixtrans-69.2-40.4172-86.9163.9000111.9L322 D323 S324 K329 H330L322-L326 HydrophobicContact CG-CD1 4.35Å; L322-L326 WeakPolarHBondContact O-CB 3.38Å; L322-L326 PolarHBondContact O-N 3Å; D323-L326 WeakPolarHBondContact O-CB 3.5Å; D323-L326 PolarHBondContact O-N 2.6Å; D323-L326 VanDerWaalsContact O-N 3.12Å; S324-L326 VanDerWaalsContact C-N 3.34Å; S324-L326 PolarHBondContact O-N 2.93Å; L326-K329 PolarHBondContact O-N 2.88Å; L326-H330 WeakPolarHBondContact O-CB 3.37Å; L326-H330 PolarHBondContact O-N 3.32Å
327Q94.3Very high93.6Very high119 Ų11994.7 Ų94.756%0.55652%0.518SS*.Hα-helixtrans-63.2-45.1173.3-67.8-67.4-18.200111.5D323 S324 K329 H330 S331D323-Q327 WeakPolarHBondContact O-CG 3.42Å; D323-Q327 PolarHBondContact O-N 3.37Å; S324-Q327 PolarHBondContact O-N 3.32Å; Q327-K329 PolarHBondContact O-N 3.02Å; Q327-H330 WeakPolarHBondContact O-CB 3.29Å; Q327-H330 PolarHBondContact O-N 3.2Å; Q327-H330 VanDerWaalsContact O-N 3.12Å; Q327-S331 PolarHBondContact O-N 3.39Å
328E95.2Very high93.7Very high132 Ų13295.6 Ų95.662%0.61752%0.524SS*.Hα-helixtrans-58.7-47.5174.6-174.3-178-177.200111.4S324 H330 S331 L332S324-E328 PolarHBondContact O-N 3.32Å; E328-H330 VanDerWaalsContact C-N 3.27Å; E328-H330 PolarHBondContact O-N 2.99Å; E328-S331 WeakPolarHBondContact O-CB 3.42Å; E328-S331 PolarHBondContact O-N 3.38Å; E328-L332 HydrophobicContact CG-CD1 4.42Å; E328-L332 WeakPolarHBondContact O-CG 3.45Å; E328-L332 PolarHBondContact O-N 2.95Å
329K94.5Very high93.8Very high146 Ų14697.2 Ų97.264%0.63553%0.527SS*.Hα-helixtrans-60.1-36.3174.6-178.2-179.6175.5-176.20112.5A325 L326 Q327 S333A325-K329 WeakPolarHBondContact O-CB 3.23Å; A325-K329 PolarHBondContact O-N 2.94Å; L326-K329 PolarHBondContact O-N 2.88Å; Q327-K329 PolarHBondContact O-N 3.02Å; K329-S333 WeakPolarHBondContact O-CB 3.32Å; K329-S333 PolarHBondContact O-N 2.9Å
330H93.1Very high94.1Very high108 Ų10899.8 Ų99.850%0.553%0.529SS..Hα-helixtrans-67.4-42.7176.6-169.9-85.4000111.5L326 Q327 E328 S333 Q334L326-H330 WeakPolarHBondContact O-CB 3.37Å; L326-H330 PolarHBondContact O-N 3.32Å; Q327-H330 WeakPolarHBondContact O-CB 3.29Å; Q327-H330 PolarHBondContact O-N 3.2Å; Q327-H330 VanDerWaalsContact O-N 3.12Å; E328-H330 VanDerWaalsContact C-N 3.27Å; E328-H330 PolarHBondContact O-N 2.99Å; H330-S333 WeakPolarHBondContact O-CB 3.44Å; H330-S333 PolarHBondContact O-N 3.48Å; H330-Q334 PolarHBondContact CE1-NE2 2.77Å; H330-Q334 WeakPolarHBondContact O-CG 3.38Å; H330-Q334 PolarHBondContact O-N 2.77Å
331S95.2Very high94.3Very high58 Ų5898.9 Ų98.941%0.40653%0.526SS..Hα-helixtrans-57.2-51.6172.1-167.40000111.2Q327 E328 S333 Q334 D335Q327-S331 PolarHBondContact O-N 3.39Å; E328-S331 WeakPolarHBondContact O-CB 3.42Å; E328-S331 PolarHBondContact O-N 3.38Å; S331-S333 PolarHBondContact O-N 2.66Å; S331-Q334 WeakPolarHBondContact O-CA 3.36Å; S331-Q334 WeakPolarHBondContact O-CB 3.05Å; S331-Q334 PolarHBondContact O-N 3.32Å; S331-D335 PolarHBondContact O-N 2.93Å
332L95.4Very high94.4Very high95 Ų95100.4 Ų100.450%0.49753%0.526SS..Hα-helixtrans-59.8-33.5177.3-68.9171.2000112.6E328 L336E328-L332 HydrophobicContact CG-CD1 4.42Å; E328-L332 WeakPolarHBondContact O-CG 3.45Å; E328-L332 PolarHBondContact O-N 2.95Å; L332-L336 WeakPolarHBondContact O-CB 3.24Å; L332-L336 VanDerWaalsContact O-CG 3.3Å; L332-L336 WeakPolarHBondContact O-CG 2.92Å; L332-L336 PolarHBondContact O-N 2.89Å
333S93.4Very high94.5Very high66 Ų6699.3 Ų99.346%0.46252%0.521SS..Hα-helixtrans-69.6-33.9174.5-168.40000112.6K329 H330 S331 T337K329-S333 WeakPolarHBondContact O-CB 3.32Å; K329-S333 PolarHBondContact O-N 2.9Å; H330-S333 WeakPolarHBondContact O-CB 3.44Å; H330-S333 PolarHBondContact O-N 3.48Å; S331-S333 PolarHBondContact O-N 2.66Å; S333-T337 WeakPolarHBondContact O-CB 3.34Å; S333-T337 PolarHBondContact O-N 3.4Å; S333-T337 VanDerWaalsContact O-N 3.13Å; S333-T337 PolarHBondContact O-OG1 3.48Å
334Q95Very high94.7Very high115 Ų115100 Ų10054%0.53752%0.521SS..Hα-helixtrans-69.2-44173.1-70.4176.6-35.800110.7H330 S331 L336 T337 S338H330-Q334 PolarHBondContact CE1-NE2 2.77Å; H330-Q334 WeakPolarHBondContact O-CG 3.38Å; H330-Q334 PolarHBondContact O-N 2.77Å; S331-Q334 WeakPolarHBondContact O-CA 3.36Å; S331-Q334 WeakPolarHBondContact O-CB 3.05Å; S331-Q334 PolarHBondContact O-N 3.32Å; Q334-L336 PolarHBondContact O-N 2.68Å; Q334-T337 WeakPolarHBondContact O-CB 3.49Å; Q334-T337 PolarHBondContact O-N 2.98Å; Q334-T337 VanDerWaalsContact O-N 3.11Å; Q334-S338 PolarHBondContact O-N 3.27Å
335D96Very high94.7Very high86 Ų86101.6 Ų101.646%0.4652%0.524SS..Hα-helixtrans-60.5-45.2175.8-66.2-34.2000111.8S331 T337 S338 L339S331-D335 PolarHBondContact O-N 2.93Å; D335-T337 VanDerWaalsContact C-N 3.28Å; D335-T337 PolarHBondContact O-N 3.37Å; D335-S338 WeakPolarHBondContact O-CB 3.22Å; D335-S338 PolarHBondContact O-N 3.49Å; D335-L339 WeakPolarHBondContact O-CB 3.06Å; D335-L339 WeakPolarHBondContact O-CG 2.91Å; D335-L339 PolarHBondContact O-N 3.37Å
336L94Very high94.8Very high113 Ų113103.2 Ų103.259%0.59253%0.525SS*.Hα-helixtrans-61.4-34.5173.9-77.3172000112.9L332 Q334 R340L332-L336 WeakPolarHBondContact O-CB 3.24Å; L332-L336 VanDerWaalsContact O-CG 3.3Å; L332-L336 WeakPolarHBondContact O-CG 2.92Å; L332-L336 PolarHBondContact O-N 2.89Å; Q334-L336 PolarHBondContact O-N 2.68Å; L336-R340 WeakPolarHBondContact O-CB 3.29Å; L336-R340 PolarHBondContact O-N 2.84Å
337T95Very high94.9Very high85 Ų85103 Ų10352%0.52152%0.522SS..Hα-helixtrans-70.9-40.8176.6-55.30000110.8S333 Q334 D335 R340 A341S333-T337 WeakPolarHBondContact O-CB 3.34Å; S333-T337 PolarHBondContact O-N 3.4Å; S333-T337 VanDerWaalsContact O-N 3.13Å; S333-T337 PolarHBondContact O-OG1 3.48Å; Q334-T337 WeakPolarHBondContact O-CB 3.49Å; Q334-T337 PolarHBondContact O-N 2.98Å; Q334-T337 VanDerWaalsContact O-N 3.11Å; D335-T337 VanDerWaalsContact C-N 3.28Å; D335-T337 PolarHBondContact O-N 3.37Å; T337-R340 PolarHBondContact O-N 3.32Å; T337-A341 PolarHBondContact O-N 2.73Å; T337-A341 VanDerWaalsContact O-N 3.08Å
338S96Very high95Very high83 Ų83101.5 Ų101.558%0.5852%0.521SS*.Hα-helixtrans-61.6-45.6173-173.10000112Q334 D335 R340 A341 R342Q334-S338 PolarHBondContact O-N 3.27Å; D335-S338 WeakPolarHBondContact O-CB 3.22Å; D335-S338 PolarHBondContact O-N 3.49Å; S338-R340 PolarHBondContact O-N 2.87Å; S338-A341 PolarHBondContact O-N 3.36Å; S338-R342 PolarHBondContact O-N 3.04Å
339L94.6Very high95Very high105 Ų105100.2 Ų100.255%0.5552%0.515SS..Hα-helixtrans-63.2-38.5176.2-74172.5000112.5D335 R342 N343D335-L339 WeakPolarHBondContact O-CB 3.06Å; D335-L339 WeakPolarHBondContact O-CG 2.91Å; D335-L339 PolarHBondContact O-N 3.37Å; L339-R342 PolarHBondContact O-N 3.24Å; L339-N343 PolarHBondContact O-N 2.9Å
340R94.7Very high95Very high164 Ų16499 Ų9962%0.61951%0.513SS*.Hα-helixtrans-63-49.4175.3-175.3179.6-64.3157.92.8111.6L336 T337 S338 R342 N343 E344L336-R340 WeakPolarHBondContact O-CB 3.29Å; L336-R340 PolarHBondContact O-N 2.84Å; T337-R340 PolarHBondContact O-N 3.32Å; S338-R340 PolarHBondContact O-N 2.87Å; R340-R342 VanDerWaalsContact C-N 3.26Å; R340-R342 PolarHBondContact O-N 3.17Å; R340-N343 PolarHBondContact O-N 2.64Å; R340-E344 WeakPolarHBondContact CG-OE1 3.29Å; R340-E344 WeakPolarHBondContact O-CG 3.33Å; R340-E344 PolarHBondContact O-N 3.1Å
341A95.6Very high95.1Very high55 Ų5598.9 Ų98.946%0.45552%0.516SS..Hα-helixtrans-59.8-37.2176.800000112.1T337 S338 N345T337-A341 PolarHBondContact O-N 2.73Å; T337-A341 VanDerWaalsContact O-N 3.08Å; S338-A341 PolarHBondContact O-N 3.36Å; A341-N345 WeakPolarHBondContact O-CB 3.05Å; A341-N345 PolarHBondContact O-N 2.73Å
342R95.5Very high95.1Very high172 Ų17299.6 Ų99.665%0.64952%0.521SS*.Hα-helixtrans-64.6-40.4172.9-177.2177.4177.4173.40112.4S338 L339 R340 N345 L346S338-R342 PolarHBondContact O-N 3.04Å; L339-R342 PolarHBondContact O-N 3.24Å; R340-R342 VanDerWaalsContact C-N 3.26Å; R340-R342 PolarHBondContact O-N 3.17Å; R342-N345 PolarHBondContact O-N 3.45Å; R342-L346 HydrophobicContact CG-CD1 4.35Å; R342-L346 WeakPolarHBondContact O-CG 3.03Å; R342-L346 PolarHBondContact O-N 3.12Å
343N94Very high95.1Very high81 Ų81100.2 Ų100.243%0.43352%0.519SS..Hα-helixtrans-68-44178-171.966.8000111.8L339 R340 N345 L346 E347L339-N343 PolarHBondContact O-N 2.9Å; R340-N343 PolarHBondContact O-N 2.64Å; N343-N345 VanDerWaalsContact C-N 3.28Å; N343-N345 PolarHBondContact O-N 3.24Å; N343-L346 PolarHBondContact O-N 2.89Å; N343-L346 VanDerWaalsContact O-N 3.13Å; N343-E347 PolarHBondContact ND2-OE1 2.92Å; N343-E347 WeakPolarHBondContact O-CG 3.31Å; N343-E347 PolarHBondContact O-N 2.89Å
344E95.6Very high95.2Very high106 Ų106102 Ų10250%0.49552%0.52SS..Hα-helixtrans-56.9-42173.2-70.4167.7-170.700111.3R340 E347 T348R340-E344 WeakPolarHBondContact CG-OE1 3.29Å; R340-E344 WeakPolarHBondContact O-CG 3.33Å; R340-E344 PolarHBondContact O-N 3.1Å; E344-E347 PolarHBondContact O-N 3.19Å; E344-T348 WeakPolarHBondContact O-CG2 3.23Å; E344-T348 PolarHBondContact O-N 2.71Å
345N95.5Very high95.3Very high102 Ų102103.3 Ų103.355%0.54552%0.524SS..Hα-helixtrans-63.1-45.1174.6-170.661.4000112.2A341 R342 N343 E347 T348 E349A341-N345 WeakPolarHBondContact O-CB 3.05Å; A341-N345 PolarHBondContact O-N 2.73Å; R342-N345 PolarHBondContact O-N 3.45Å; N343-N345 VanDerWaalsContact C-N 3.28Å; N343-N345 PolarHBondContact O-N 3.24Å; N345-E347 VanDerWaalsContact C-N 3.32Å; N345-E347 PolarHBondContact O-N 2.8Å; N345-T348 PolarHBondContact O-N 2.81Å; N345-T348 PolarHBondContact O-OG1 2.75Å; N345-E349 PolarHBondContact O-N 3.42Å
346L95.5Very high95.2Very high82 Ų82103.5 Ų103.543%0.42952%0.522SS..Hα-helixtrans-63.2-35.4175.8-72.3168.7000112.7R342 N343 E349 M350R342-L346 HydrophobicContact CG-CD1 4.35Å; R342-L346 WeakPolarHBondContact O-CG 3.03Å; R342-L346 PolarHBondContact O-N 3.12Å; N343-L346 PolarHBondContact O-N 2.89Å; N343-L346 VanDerWaalsContact O-N 3.13Å; L346-E349 PolarHBondContact O-N 3.04Å; L346-M350 VanDerWaalsContact O-CB 3.31Å; L346-M350 WeakPolarHBondContact O-CB 3.38Å; L346-M350 PolarHBondContact O-N 3.39Å
347E94.8Very high95.2Very high90 Ų90101.6 Ų101.642%0.42151%0.512SS..Hα-helixtrans-66-41.2174.4-74.8173.9-169.900111.6N343 E344 N345 M350 L351N343-E347 PolarHBondContact ND2-OE1 2.92Å; N343-E347 WeakPolarHBondContact O-CG 3.31Å; N343-E347 PolarHBondContact O-N 2.89Å; E344-E347 PolarHBondContact O-N 3.19Å; N345-E347 VanDerWaalsContact C-N 3.32Å; N345-E347 PolarHBondContact O-N 2.8Å; E347-M350 HydrophobicContact CG-CE 4.29Å; E347-M350 PolarHBondContact O-N 2.94Å; E347-L351 WeakPolarHBondContact O-CB 3.48Å; E347-L351 VanDerWaalsContact O-CG 3.3Å; E347-L351 WeakPolarHBondContact O-CG 3.33Å; E347-L351 PolarHBondContact O-N 3.45Å
348T96.3Very high95.1Very high87 Ų87101.6 Ų101.653%0.53451%0.506SS..Hα-helixtrans-67.4-37.2173.961.70000113E344 N345 L351 S352E344-T348 WeakPolarHBondContact O-CG2 3.23Å; E344-T348 PolarHBondContact O-N 2.71Å; N345-T348 PolarHBondContact O-N 2.81Å; N345-T348 PolarHBondContact O-OG1 2.75Å; T348-L351 PolarHBondContact O-N 3.13Å; T348-S352 WeakPolarHBondContact O-CB 3.2Å; T348-S352 PolarHBondContact O-N 2.81Å
349E95.6Very high95Very high106 Ų106103 Ų10350%0.49551%0.507SS..Hα-helixtrans-63.2-47.3172.9-174.1178.7179.200111.3N345 L346 L351 S352 K353N345-E349 PolarHBondContact O-N 3.42Å; L346-E349 PolarHBondContact O-N 3.04Å; E349-L351 PolarHBondContact O-N 2.72Å; E349-S352 WeakPolarHBondContact O-CB 3.27Å; E349-S352 PolarHBondContact O-N 3Å; E349-S352 VanDerWaalsContact O-N 3.14Å; E349-K353 WeakPolarHBondContact O-CG 3.42Å; E349-K353 PolarHBondContact O-N 2.84Å
350M94.2Very high94.9Very high121 Ų121103.2 Ų103.260%0.59651%0.508SS*.Hα-helixtrans-59.3-44.3175.5175.6177.15300111.8L346 E347 S352 K353 Q354L346-M350 VanDerWaalsContact O-CB 3.31Å; L346-M350 WeakPolarHBondContact O-CB 3.38Å; L346-M350 PolarHBondContact O-N 3.39Å; E347-M350 HydrophobicContact CG-CE 4.29Å; E347-M350 PolarHBondContact O-N 2.94Å; M350-S352 VanDerWaalsContact C-N 3.3Å; M350-S352 PolarHBondContact O-N 3.38Å; M350-K353 PolarHBondContact O-N 3.27Å; M350-Q354 WeakPolarHBondContact O-CB 3.2Å; M350-Q354 PolarHBondContact O-N 3.01Å
351L95.5Very high94.6Very high105 Ų105102.4 Ų102.455%0.5551%0.505SS..Hα-helixtrans-65.1-33.4175.8-74.7170.7000112.5E347 T348 E349 K355E347-L351 WeakPolarHBondContact O-CB 3.48Å; E347-L351 VanDerWaalsContact O-CG 3.3Å; E347-L351 WeakPolarHBondContact O-CG 3.33Å; E347-L351 PolarHBondContact O-N 3.45Å; T348-L351 PolarHBondContact O-N 3.13Å; E349-L351 PolarHBondContact O-N 2.72Å; L351-K355 WeakPolarHBondContact O-CG 3.46Å; L351-K355 PolarHBondContact O-N 3.15Å
352S95.4Very high94.3Very high73 Ų73107.1 Ų107.151%0.5151%0.511SS..Hα-helixtrans-66.8-48172.8-163.90000111.1T348 E349 M350 Q354 K355 E356T348-S352 WeakPolarHBondContact O-CB 3.2Å; T348-S352 PolarHBondContact O-N 2.81Å; E349-S352 WeakPolarHBondContact O-CB 3.27Å; E349-S352 PolarHBondContact O-N 3Å; E349-S352 VanDerWaalsContact O-N 3.14Å; M350-S352 VanDerWaalsContact C-N 3.3Å; M350-S352 PolarHBondContact O-N 3.38Å; S352-Q354 VanDerWaalsContact C-N 3.33Å; S352-Q354 PolarHBondContact O-N 3Å; S352-K355 WeakPolarHBondContact O-CB 3.18Å; S352-K355 PolarHBondContact O-N 3.4Å; S352-K355 VanDerWaalsContact O-N 3.14Å; S352-E356 PolarHBondContact O-N 3.37Å
353K95.5Very high93.9Very high108 Ų108102.8 Ų102.847%0.4750%0.503SS..Hα-helixtrans-63.1-35.2176.4-71.9-74.4159.9-159.50112.9E349 M350 E356 L357E349-K353 WeakPolarHBondContact O-CG 3.42Å; E349-K353 PolarHBondContact O-N 2.84Å; M350-K353 PolarHBondContact O-N 3.27Å; K353-E356 WeakPolarHBondContact CD-OE2 3.43Å; K353-E356 WeakPolarHBondContact CE-OE2 3.45Å; K353-E356 IonicContact NZ-OE1 3.54Å; K353-E356 PolarHBondContact NZ-OE1 3.06Å; K353-E356 IonicContact NZ-OE2 3.88Å; K353-E356 PolarHBondContact NZ-OE2 3.47Å; K353-E356 PolarHBondContact O-N 2.99Å; K353-L357 WeakPolarHBondContact O-CB 3.41Å; K353-L357 PolarHBondContact O-N 3.35Å
354Q95.2Very high93.3Very high104 Ų104101.5 Ų101.549%0.48650%0.501SS..Hα-helixtrans-63.8-41.4173.4-175.969.71.300111.6M350 S352 L357 E358M350-Q354 WeakPolarHBondContact O-CB 3.2Å; M350-Q354 PolarHBondContact O-N 3.01Å; S352-Q354 VanDerWaalsContact C-N 3.33Å; S352-Q354 PolarHBondContact O-N 3Å; Q354-L357 PolarHBondContact O-N 3.41Å; Q354-E358 WeakPolarHBondContact O-CB 3.26Å; Q354-E358 PolarHBondContact O-N 3.48Å
355K96Very high92.6Very high142 Ų142100.8 Ų100.862%0.61750%0.504SS*.Hα-helixtrans-67.2-40.8174.9-71.4171-177.9177.50112.2L351 S352 L357 E358 L359L351-K355 WeakPolarHBondContact O-CG 3.46Å; L351-K355 PolarHBondContact O-N 3.15Å; S352-K355 WeakPolarHBondContact O-CB 3.18Å; S352-K355 PolarHBondContact O-N 3.4Å; S352-K355 VanDerWaalsContact O-N 3.14Å; K355-L357 VanDerWaalsContact C-N 3.33Å; K355-E358 PolarHBondContact O-N 3.02Å; K355-L359 WeakPolarHBondContact O-CB 3.47Å; K355-L359 WeakPolarHBondContact O-CG 3.33Å; K355-L359 PolarHBondContact O-N 3.4Å
356E95Very high91.5Very high89 Ų89104.8 Ų104.842%0.41651%0.511SS..Hα-helixtrans-59.4-43.8173.5-173.5-178.4162.600111.2S352 K353 L359 L360S352-E356 PolarHBondContact O-N 3.37Å; K353-E356 WeakPolarHBondContact CD-OE2 3.43Å; K353-E356 WeakPolarHBondContact CE-OE2 3.45Å; K353-E356 IonicContact NZ-OE1 3.54Å; K353-E356 PolarHBondContact NZ-OE1 3.06Å; K353-E356 IonicContact NZ-OE2 3.88Å; K353-E356 PolarHBondContact NZ-OE2 3.47Å; K353-E356 PolarHBondContact O-N 2.99Å; E356-L359 WeakPolarHBondContact O-CB 3.35Å; E356-L359 PolarHBondContact O-N 2.77Å; E356-L360 WeakPolarHBondContact O-CG 3.43Å; E356-L360 PolarHBondContact O-N 3.1Å
357L94.1Very high90.5Very high74 Ų74103.8 Ų103.839%0.38751%0.511SS..Hα-helixtrans-68.5-36.6177-162.7154.7000112.2K353 Q354 K355 L360 R361K353-L357 WeakPolarHBondContact O-CB 3.41Å; K353-L357 PolarHBondContact O-N 3.35Å; Q354-L357 PolarHBondContact O-N 3.41Å; K355-L357 VanDerWaalsContact C-N 3.33Å; L357-L360 PolarHBondContact O-N 3.03Å; L357-R361 HydrophobicContact CD2-CG 4.22Å; L357-R361 WeakPolarHBondContact O-CG 3.12Å; L357-R361 PolarHBondContact O-N 3.07Å
358E93.5Very high89.5Confident84 Ų84103.9 Ų103.939%0.39351%0.514SS..Hα-helixtrans-68.4-37.5173.8-161.3-176.7151.900112.4Q354 K355 R361 R362Q354-E358 WeakPolarHBondContact O-CB 3.26Å; Q354-E358 PolarHBondContact O-N 3.48Å; K355-E358 PolarHBondContact O-N 3.02Å; E358-R361 PolarHBondContact O-N 3.06Å; E358-R362 WeakPolarHBondContact O-CG 3.12Å; E358-R362 PolarHBondContact O-N 3.43Å; E358-R362 IonicContact OE1-CZ 2.95Å; E358-R362 IonicContact OE1-NE 2.64Å; E358-R362 PolarHBondContact OE1-NE 3.39Å; E358-R362 IonicContact OE1-NH2 3.1Å; E358-R362 PolarHBondContact OE1-NH2 3.23Å
359L93.3Very high88.5Confident113 Ų113106.5 Ų106.559%0.59252%0.515SS*.Hα-helixtrans-60.3-46.2169.9-79160000111.1K355 E356 R361 R362 T363K355-L359 WeakPolarHBondContact O-CB 3.47Å; K355-L359 WeakPolarHBondContact O-CG 3.33Å; K355-L359 PolarHBondContact O-N 3.4Å; E356-L359 WeakPolarHBondContact O-CB 3.35Å; E356-L359 PolarHBondContact O-N 2.77Å; L359-R361 PolarHBondContact O-N 2.9Å; L359-R362 PolarHBondContact O-N 3.31Å; L359-T363 PolarHBondContact O-N 3.25Å; L359-T363 PolarHBondContact O-OG1 2.78Å
360L91.3Very high87.3Confident109 Ų109107.5 Ų107.557%0.57152%0.519SS*.Hα-helixtrans-60.8-42.9176.5-74.2169.3000112.5E356 L357 T363 S364E356-L360 WeakPolarHBondContact O-CG 3.43Å; E356-L360 PolarHBondContact O-N 3.1Å; L357-L360 PolarHBondContact O-N 3.03Å; L360-T363 WeakPolarHBondContact CA-OG1 3.45Å; L360-T363 PolarHBondContact O-N 3.07Å; L360-T363 PolarHBondContact O-OG1 3.13Å; L360-S364 PolarHBondContact O-N 2.76Å
361R90.3Very high86.1Confident148 Ų148108.4 Ų108.456%0.55852%0.522SS*.Hα-helixtrans-61.8-41.4173.6-77178.5178.7148.41.8112.4L357 E358 L359 S364 V365L357-R361 HydrophobicContact CD2-CG 4.22Å; L357-R361 WeakPolarHBondContact O-CG 3.12Å; L357-R361 PolarHBondContact O-N 3.07Å; E358-R361 PolarHBondContact O-N 3.06Å; L359-R361 PolarHBondContact O-N 2.9Å; R361-S364 PolarHBondContact O-N 2.97Å; R361-S364 PolarHBondContact O-OG 3.04Å; R361-V365 WeakPolarHBondContact O-CG2 3.5Å; R361-V365 PolarHBondContact O-N 2.86Å
362R88.2Confident84.8Confident153 Ų153109.1 Ų109.158%0.57753%0.527SS*.Hα-helixtrans-63.1-49175.5-70.8174.7-169.6-162.64.4109.8E358 L359 S364 V365 W366E358-R362 WeakPolarHBondContact O-CG 3.12Å; E358-R362 PolarHBondContact O-N 3.43Å; E358-R362 IonicContact OE1-CZ 2.95Å; E358-R362 IonicContact OE1-NE 2.64Å; E358-R362 PolarHBondContact OE1-NE 3.39Å; E358-R362 IonicContact OE1-NH2 3.1Å; E358-R362 PolarHBondContact OE1-NH2 3.23Å; L359-R362 PolarHBondContact O-N 3.31Å; R362-S364 VanDerWaalsContact C-N 3.3Å; R362-S364 PolarHBondContact O-N 2.7Å; R362-V365 PolarHBondContact O-N 2.92Å; R362-W366 PolarHBondContact O-N 3.42Å
363T87Confident83.2Confident81 Ų81111.4 Ų111.450%0.49753%0.529SS..Hα-helixtrans-61.9-33.7178.748.80000113.5L359 L360 W366 S367L359-T363 PolarHBondContact O-N 3.25Å; L359-T363 PolarHBondContact O-OG1 2.78Å; L360-T363 WeakPolarHBondContact CA-OG1 3.45Å; L360-T363 PolarHBondContact O-N 3.07Å; L360-T363 PolarHBondContact O-OG1 3.13Å; T363-W366 PolarHBondContact O-N 3.05Å; T363-S367 PolarHBondContact O-N 2.79Å; T363-S367 VanDerWaalsContact O-N 3.12Å; T363-S367 PolarHBondContact O-OG 3.25Å; T363-S367 VanDerWaalsContact O-OG 3.11Å
364S82.3Confident81.4Confident55 Ų55113.4 Ų113.439%0.38554%0.544SS..Hα-helixtrans-67-41.817571.30000112.2L360 R361 R362 W366 S367 D368L360-S364 PolarHBondContact O-N 2.76Å; R361-S364 PolarHBondContact O-N 2.97Å; R361-S364 PolarHBondContact O-OG 3.04Å; R362-S364 VanDerWaalsContact C-N 3.3Å; R362-S364 PolarHBondContact O-N 2.7Å; S364-W366 PolarHBondContact O-N 3.47Å; S364-S367 WeakPolarHBondContact O-CA 3.5Å; S364-S367 WeakPolarHBondContact O-CB 3.1Å; S364-S367 PolarHBondContact O-N 2.83Å; S364-D368 PolarHBondContact O-N 3Å
365V79.6Confident79.8Confident91 Ų91112 Ų11255%0.55255%0.55SS**Hα-helixtrans-61.2-33.1175.8172.40000111.9R361 R362 W369R361-V365 WeakPolarHBondContact O-CG2 3.5Å; R361-V365 PolarHBondContact O-N 2.86Å; R362-V365 PolarHBondContact O-N 2.92Å; V365-W369 WeakPolarHBondContact O-CB 3.47Å; V365-W369 PolarHBondContact O-N 3.43Å
366W72.9Confident77.6Confident186 Ų186108.1 Ų108.171%0.70555%0.545SS*.Hα-helixtrans-69.7-36.9172.8-76.661.6000112.1R362 T363 S364 W369 E370R362-W366 PolarHBondContact O-N 3.42Å; T363-W366 PolarHBondContact O-N 3.05Å; S364-W366 PolarHBondContact O-N 3.47Å; W366-W369 PolarHBondContact O-N 2.87Å; W366-E370 WeakPolarHBondContact O-CB 3.23Å; W366-E370 PolarHBondContact O-N 2.81Å
367S74.5Confident75.5Confident61 Ų61109.5 Ų109.543%0.42756%0.562SS.*Hα-helixtrans-66.8-38174.2-53.80000112.8T363 S364 Q371T363-S367 PolarHBondContact O-N 2.79Å; T363-S367 VanDerWaalsContact O-N 3.12Å; T363-S367 PolarHBondContact O-OG 3.25Å; T363-S367 VanDerWaalsContact O-OG 3.11Å; S364-S367 WeakPolarHBondContact O-CA 3.5Å; S364-S367 WeakPolarHBondContact O-CB 3.1Å; S364-S367 PolarHBondContact O-N 2.83Å; S367-Q371 WeakPolarHBondContact O-CG 3.01Å; S367-Q371 PolarHBondContact O-N 2.82Å
368D74.3Confident73.3Confident91 Ų91112.1 Ų112.149%0.48758%0.58SS.*Hα-helixtrans-67.4-44175.4-61.6-24.5000110.5S364 E370 Q371 D372S364-D368 PolarHBondContact O-N 3Å; D368-E370 PolarHBondContact O-N 2.75Å; D368-Q371 PolarHBondContact O-N 2.76Å; D368-D372 PolarHBondContact O-N 2.64Å
369W74.2Confident71.2Confident143 Ų143115.9 Ų115.954%0.54260%0.603SS.*Hα-helixtrans-63.8-39.8177.2-175.170.4000112.9V365 W366 Q371 D372 E373V365-W369 WeakPolarHBondContact O-CB 3.47Å; V365-W369 PolarHBondContact O-N 3.43Å; W366-W369 PolarHBondContact O-N 2.87Å; W369-Q371 VanDerWaalsContact C-N 3.28Å; W369-Q371 PolarHBondContact O-N 3.42Å; W369-D372 PolarHBondContact O-N 2.96Å; W369-E373 WeakPolarHBondContact CH2-OE2 3.37Å; W369-E373 WeakPolarHBondContact CZ2-OE1 3.15Å; W369-E373 WeakPolarHBondContact CZ2-OE2 3.14Å; W369-E373 WeakPolarHBondContact O-CB 3.46Å; W369-E373 PolarHBondContact O-N 3.13Å
370E72Confident68.7Low127 Ų127114 Ų11459%0.59361%0.612SS**Hα-helixtrans-65.5-30.4175-169.4170.9-157.200111.9W366 D368 L374W366-E370 WeakPolarHBondContact O-CB 3.23Å; W366-E370 PolarHBondContact O-N 2.81Å; D368-E370 PolarHBondContact O-N 2.75Å; E370-L374 HydrophobicContact CG-CD1 4.46Å; E370-L374 WeakPolarHBondContact O-CB 3.49Å; E370-L374 WeakPolarHBondContact O-CD1 3.41Å; E370-L374 WeakPolarHBondContact O-CG 3.33Å; E370-L374 PolarHBondContact O-N 2.69Å
371Q67.9Low66.3Low139 Ų139116.4 Ų116.465%0.6562%0.623SS**Hα-helixtrans-74-43.1172-73.3-17819.100112.9S367 D368 W369 L374 A375S367-Q371 WeakPolarHBondContact O-CG 3.01Å; S367-Q371 PolarHBondContact O-N 2.82Å; D368-Q371 PolarHBondContact O-N 2.76Å; W369-Q371 VanDerWaalsContact C-N 3.28Å; W369-Q371 PolarHBondContact O-N 3.42Å; Q371-L374 PolarHBondContact O-N 3.02Å; Q371-A375 WeakPolarHBondContact O-CB 3.24Å; Q371-A375 PolarHBondContact O-N 3.23Å
372D68.4Low64Low121 Ų121114.5 Ų114.565%0.64763%0.633SS**Hα-helixtrans-66.9-40.6179.2-83.9-15.6000112.1D368 W369 L374 A375 A376D368-D372 PolarHBondContact O-N 2.64Å; W369-D372 PolarHBondContact O-N 2.96Å; D372-L374 VanDerWaalsContact C-N 3.34Å; D372-L374 PolarHBondContact O-N 3.44Å; D372-A375 PolarHBondContact O-N 2.92Å; D372-A375 VanDerWaalsContact O-N 3.14Å; D372-A376 PolarHBondContact O-N 3.18Å
373E61.2Low61.9Low121 Ų121113.5 Ų113.557%0.56564%0.644SS**Hα-helixtrans-70.7-29.8179.3-162.4170.2-125.300112.2W369 A375W369-E373 WeakPolarHBondContact CH2-OE2 3.37Å; W369-E373 WeakPolarHBondContact CZ2-OE1 3.15Å; W369-E373 WeakPolarHBondContact CZ2-OE2 3.14Å; W369-E373 WeakPolarHBondContact O-CB 3.46Å; W369-E373 PolarHBondContact O-N 3.13Å; E373-A375 VanDerWaalsContact C-N 3.31Å
374L59.1Low59.6Low149 Ų149117 Ų11778%0.7866%0.659SS**Hα-helixtrans-74.8-16.6170.4-73.8172.7000113.9E370 Q371 D372E370-L374 HydrophobicContact CG-CD1 4.46Å; E370-L374 WeakPolarHBondContact O-CB 3.49Å; E370-L374 WeakPolarHBondContact O-CD1 3.41Å; E370-L374 WeakPolarHBondContact O-CG 3.33Å; E370-L374 PolarHBondContact O-N 2.69Å; Q371-L374 PolarHBondContact O-N 3.02Å; D372-L374 VanDerWaalsContact C-N 3.34Å; D372-L374 PolarHBondContact O-N 3.44Å
375A60.3Low57.6Low74 Ų74120.5 Ų120.561%0.61268%0.682SS**Hα-helixtrans-92.1-12.4179.200000113.9Q371 D372 E373 P377Q371-A375 WeakPolarHBondContact O-CB 3.24Å; Q371-A375 PolarHBondContact O-N 3.23Å; D372-A375 PolarHBondContact O-N 2.92Å; D372-A375 VanDerWaalsContact O-N 3.14Å; E373-A375 VanDerWaalsContact C-N 3.31Å; A375-P377 WeakPolarHBondContact O-CD 3.34Å
376A50.2Low55.8Low61 Ų61121.5 Ų121.550%0.50469%0.688SS.*SBendtrans-75122-178.100000112.1D372 V378D372-A376 PolarHBondContact O-N 3.18Å; A376-V378 PolarHBondContact O-N 3.46Å
377P51.4Low54.6Low119 Ų119120.6 Ų120.677%0.77370%0.695SS**  trans-68.9132.4178.127-33.1000111.8A375 D379A375-P377 WeakPolarHBondContact O-CD 3.34Å; P377-D379 PolarHBondContact O-N 3.28Å
378V47.9Very low53Low129 Ų129125.8 Ų125.878%0.78271%0.71SS**  trans-77.490.5-175.9-178.10000111.2A376A376-V378 PolarHBondContact O-N 3.46Å
379D48Very low51.4Low162 Ų162128.9 Ų128.987%0.86673%0.726SS**  trans-134.8119.1164.4-93.7-41.5000109.2P377P377-D379 PolarHBondContact O-N 3.28Å
380G42.7Very low49.6Very low75 Ų75125.3 Ų125.377%0.77373%0.734SS**  trans12636.4176.400000117.4
381I39.2Very low48.1Very low158 Ų158125.4 Ų125.481%0.8175%0.748SS**  trans-58.9144.2161.3-62.9170.6000109.2
382S43.4Very low46.7Very low109 Ų109123.9 Ų123.976%0.76275%0.753SS**  trans113.826.9153.6-158.60000120.3
383T43.9Very low45.7Very low131 Ų131123.2 Ų123.280%0.80476%0.755SS**SBendtrans-142.9134.8163.4-50.40000113.8
384L38.6Very low44.8Very low155 Ų155127.6 Ų127.681%0.81277%0.767SS**  trans74.592.6172.4-70.9153.2000118.2
385C39.8Very low44Very low129 Ų129127.4 Ų127.487%0.87276%0.762SS**  trans-121.435.3171.4-166.70000111.9
386T42.7Very low43.1Very low111 Ų111130 Ų13068%0.68177%0.771SS**  trans-147.4137.7-172-8.70000112.2
387I46.9Very low43Very low167 Ų167132.2 Ų132.286%0.85678%0.779SS**  trans89.777-161.9-52.1156.1000110.6
388F41.4Very low42.5Very low171 Ų171133.4 Ų133.475%0.7578%0.78SS**  cis71.783.226.8-131.2-92.1000115.7
389L39.5Very low42.6Very low155 Ų155135.3 Ų135.381%0.81278%0.784SS**  trans56.5115.5134-69.5160.6000120.8
390G37.2Very low42.4Very low69 Ų69131.4 Ų131.471%0.71178%0.782SS**  trans143139.4161.200000112.2
391S40.7Very low42.6Very low128 Ų128133.9 Ų133.990%0.89578%0.783SS**  cis-156.7159.1-4.6-71.50000110.4
392S38.5Very low42.9Very low108 Ų108133.6 Ų133.676%0.75578%0.783SS**  trans-118.7178.2169.3-170.40000108.1
393P46.2Very low43Very low106 Ų106132.2 Ų132.269%0.68878%0.778SS**  -114.5-157.4-51.234.5-18.3000110.9
394R42.6Very low43.1Very low213 Ų213134.8 Ų134.880%0.80478%0.781SS**  trans105.2148.9177.1-65.3165173.8-1229.7113
395E43.2Very low43.6Very low146 Ų146138.6 Ų138.668%0.68278%0.784SS**  cis-157160.30.9-118.4149.4-14600109.3
396T41.4Very low44Very low129 Ų129138.6 Ų138.679%0.79178%0.783SS**  trans-75.1176.8163.649.80000110.5
397P46.9Very low44.4Very low106 Ų106143.9 Ų143.969%0.68879%0.79SS**  cis-149.2-17717.645.8-25.1000118.3
398D42.2Very low44.2Very low145 Ų145142.1 Ų142.178%0.77578%0.782SS**  trans67.4159139.2-114.6-35.8000125.5
399L50Low44.6Very low168 Ų168140.9 Ų140.988%0.8878%0.784SS**  trans71.6124.5164-64.6156.7000119.2
400G43.2Very low45.2Very low80 Ų80139.2 Ų139.283%0.82578%0.78SS**  trans161.348.7167.900000117.9
401T46.8Very low45.9Very low127 Ų127146.6 Ų146.678%0.77979%0.788SS**  trans-60.3131.917245.70000113.1
402N44.8Very low46.4Very low152 Ų152147.3 Ų147.381%0.81378%0.777SS**  trans153.8106.9141-79.1-28.4000109.3
403A45.7Very low47Very low81 Ų81153.4 Ų153.467%0.66978%0.784SS**  89.4131.47500000113.3
404H46.4Very low47.3Very low185 Ų185155.4 Ų155.486%0.85679%0.789SS**  trans62.791.3173.6-61.8-52.3000119.4
405R49.6Very low47.6Very low234 Ų234153.4 Ų153.488%0.88379%0.786SS**  trans-114.1126.1132.1-84.8-175.5175.4170.6-0.2109.1
406P48.4Very low48Very low130 Ų130151.9 Ų151.984%0.84479%0.786SS**  trans-72.2131.3152.631.5-28.7000107.6
407R50.5Low48.3Very low221 Ų221148.3 Ų148.383%0.83478%0.775SS**  trans-120.7136.5169.1-153.8177.2-168.2-179.70.8109.2D409R407-D409 PolarHBondContact O-N 3.05Å
408D43.1Very low48.3Very low130 Ų130153.2 Ų153.270%0.69578%0.78SS**  trans-85.996.7-167.5-152.5-26.8000109.9T410D408-T410 PolarHBondContact OD1-OG1 3.41Å
409D49.2Very low48.5Very low145 Ų145153.5 Ų153.578%0.77578%0.78SS**  trans-103.663.4178.1-71.6-28.6000110.5R407 Y411R407-D409 PolarHBondContact O-N 3.05Å; D409-Y411 VanDerWaalsContact C-N 3.3Å; D409-Y411 PolarHBondContact O-N 2.87Å
410T52.9Low48.3Very low120 Ų120150.8 Ų150.874%0.73677%0.771SS**  trans-8613.7-179.423.50000114.4D408D408-T410 PolarHBondContact OD1-OG1 3.41Å
411Y52Low48.2Very low224 Ų224150.8 Ų150.888%0.87876%0.758SS**SBendtrans-121.1-5.1-168.6-146.2-102.2000117.7D409D409-Y411 VanDerWaalsContact C-N 3.3Å; D409-Y411 PolarHBondContact O-N 2.87Å
412E51.2Low47.9Very low144 Ų144155.5 Ų155.567%0.67376%0.763SS**SBendtrans-106.77.1-178.4-92.1-68.6143.600114.7D414E412-D414 PolarHBondContact O-N 3.43Å
413R51.3Low47.7Very low236 Ų236152.4 Ų152.489%0.89176%0.759SS**THydrogen-bonded Turntrans-79.7-12.9-174.7-121177.6-158.8163.19.2115.9
414D51.7Low47.2Very low148 Ų148158.9 Ų158.979%0.79177%0.766SS**THydrogen-bonded Turntrans-101.5-1.2-167.4-111.110.7000115.6E412E412-D414 PolarHBondContact O-N 3.43Å
415K49Very low47Very low170 Ų170156.5 Ų156.574%0.73976%0.758SS**SBendtrans-101.9-20.1176.3-84.6-177.7176.7173.80115.5G417K415-G417 VanDerWaalsContact C-N 3.31Å
416V51.9Low46.4Very low114 Ų114151.9 Ų151.969%0.69175%0.75SS**G310 helixtrans-78.2-18.3175-174.20000111.8R418V416-R418 VanDerWaalsContact C-N 3.33Å; V416-R418 PolarHBondContact O-N 3.4Å
417G47.7Very low45.9Very low54 Ų54153.5 Ų153.556%0.55774%0.744SS**G310 helixtrans-77.32.4-177.400000117.4K415K415-G417 VanDerWaalsContact C-N 3.31Å
418R47.5Very low45.1Very low209 Ų209146.1 Ų146.179%0.78974%0.737SS**G310 helixtrans-120.22.4-176.6-64.9-166.6-167.8-164.84.7116.3V416 S421V416-R418 VanDerWaalsContact C-N 3.33Å; V416-R418 PolarHBondContact O-N 3.4Å; R418-S421 PolarHBondContact O-OG 2.88Å
419I46.6Very low44.9Very low151 Ų151145.5 Ų145.577%0.77473%0.733SS**SBendtrans-100.5-14.5174.6-63.2179.4000111.4S421I419-S421 VanDerWaalsContact C-N 3.3Å; I419-S421 PolarHBondContact O-N 2.92Å
420T44.1Very low44.2Very low112 Ų112145.1 Ų145.169%0.68774%0.736SS**THydrogen-bonded Turntrans-83.24.6174.445.10000114.6
421S41.5Very low43.7Very low80 Ų80145.2 Ų145.256%0.55973%0.731SS**THydrogen-bonded Turntrans-92.7-2.9-178.656.60000115.4R418 I419R418-S421 PolarHBondContact O-OG 2.88Å; I419-S421 VanDerWaalsContact C-N 3.3Å; I419-S421 PolarHBondContact O-N 2.92Å
422Y40.7Very low42.9Very low226 Ų226137.2 Ų137.289%0.88672%0.717SS**SBendtrans-118.239.1176.8-79.4-81.6000113
423A39.7Very low42.3Very low87 Ų87133.6 Ų133.672%0.71971%0.707SS**  trans-149.126.8168.800000113.6I425A423-I425 PolarHBondContact O-N 3.34Å
424R35.5Very low41.8Very low217 Ų217129 Ų12982%0.81970%0.695SS**  trans-90.181.9155.2-95.4-171.1176.8163.4-1.3108.3D426R424-D426 PolarHBondContact O-N 3.2Å; R424-D426 VanDerWaalsContact O-N 3.13Å
425I43.5Very low41.5Very low134 Ų134126.4 Ų126.469%0.68769%0.688SS**  trans-72.896.2150.8-59.1178000104.6A423 F427A423-I425 PolarHBondContact O-N 3.34Å; I425-F427 HydrophobicContact CB-CD2 4.45Å; I425-F427 HydrophobicContact CG2-CD2 3.46Å; I425-F427 VanDerWaalsContact CG2-CD2 3.46Å; I425-F427 HydrophobicContact CG2-CE2 3.66Å; I425-F427 HydrophobicContact CG2-CG 4.24Å; I425-F427 PolarHBondContact O-N 2.96Å
426D36.5Very low41.3Very low137 Ų137121.2 Ų121.273%0.73367%0.673SS**  trans-64.284.2162.5-80.4-39.1000107.3R424 G428R424-D426 PolarHBondContact O-N 3.2Å; R424-D426 VanDerWaalsContact O-N 3.13Å; D426-G428 PolarHBondContact O-N 2.99Å
427F38.1Very low41.2Very low164 Ų164120.2 Ų120.272%0.71967%0.667SS**  trans-66.784.6156.5-96.1-71.9000106.9I425 L429I425-F427 HydrophobicContact CB-CD2 4.45Å; I425-F427 HydrophobicContact CG2-CD2 3.46Å; I425-F427 VanDerWaalsContact CG2-CD2 3.46Å; I425-F427 HydrophobicContact CG2-CE2 3.66Å; I425-F427 HydrophobicContact CG2-CG 4.24Å; I425-F427 PolarHBondContact O-N 2.96Å; F427-L429 HydrophobicContact CD1-CD1 4.25Å; F427-L429 PolarHBondContact O-N 3.12Å
428G33.5Very low41.4Very low66 Ų66123.4 Ų123.468%0.6867%0.671SS**  trans-65.455.6167.600000111.5D426 T430D426-G428 PolarHBondContact O-N 2.99Å; G428-T430 VanDerWaalsContact C-N 3.27Å; G428-T430 PolarHBondContact O-N 2.93Å
429L38.2Very low41.7Very low117 Ų117120.8 Ų120.861%0.61366%0.662SS**  trans-89.475.2161.7-80.7164.3000107.5F427 I431F427-L429 HydrophobicContact CD1-CD1 4.25Å; F427-L429 PolarHBondContact O-N 3.12Å; L429-I431 HydrophobicContact CD2-CD1 3.79Å; L429-I431 HydrophobicContact CD2-CG1 3.92Å; L429-I431 PolarHBondContact O-N 3.47Å
430T36.1Very low41.9Very low137 Ų137117.1 Ų117.184%0.8465%0.649SS**  trans-69.349.8156.5-420000109.9G428 G432G428-T430 VanDerWaalsContact C-N 3.27Å; G428-T430 PolarHBondContact O-N 2.93Å; T430-G432 VanDerWaalsContact C-N 3.3Å; T430-G432 PolarHBondContact O-N 3.32Å; T430-G432 VanDerWaalsContact O-N 3.09Å
431I41.5Very low42.4Very low122 Ų122113.8 Ų113.863%0.62663%0.633SS**  trans-71.399.8155.2-64.6-178.2000104.1L429 C433L429-I431 HydrophobicContact CD2-CD1 3.79Å; L429-I431 HydrophobicContact CD2-CG1 3.92Å; L429-I431 PolarHBondContact O-N 3.47Å; I431-C433 PolarHBondContact O-N 3.49Å
432G35.6Very low43.1Very low57 Ų57116.2 Ų116.259%0.58863%0.634SS**  trans-62.381.1172.800000109.9T430 H434T430-G432 VanDerWaalsContact C-N 3.3Å; T430-G432 PolarHBondContact O-N 3.32Å; T430-G432 VanDerWaalsContact O-N 3.09Å; G432-H434 PolarHBondContact O-N 2.91Å
433C38.5Very low43.9Very low68 Ų68108.2 Ų108.246%0.45961%0.605SS.*  trans-77.464.8-175.7-162.60000110.3I431 C435 S436I431-C433 PolarHBondContact O-N 3.49Å; C433-C435 PolarHBondContact O-N 3.12Å; C433-S436 PolarHBondContact O-N 2.92Å; C433-S436 PolarHBondContact O-OG 3.48Å
434H40.7Very low44.5Very low139 Ų139106.2 Ų106.264%0.64459%0.589SS**Hα-helixtrans-60.2-11.9172.1-77.6-69.9000112.4G432 L438G432-H434 PolarHBondContact O-N 2.91Å; H434-L438 WeakPolarHBondContact O-CB 3Å; H434-L438 WeakPolarHBondContact O-CD1 3.13Å; H434-L438 WeakPolarHBondContact O-CG 3.21Å; H434-L438 PolarHBondContact O-N 3.38Å
435C44.2Very low45.2Very low93 Ų93100.4 Ų100.463%0.62857%0.571SS**Hα-helixtrans-76.3-38.4-179.4-147.30000113.3C433 Y439C433-C435 PolarHBondContact O-N 3.12Å; C435-Y439 WeakPolarHBondContact O-CB 3.31Å; C435-Y439 PolarHBondContact O-N 2.99Å
436S45.1Very low45.5Very low61 Ų6198.8 Ų98.843%0.42756%0.56SS.*Hα-helixtrans-80.7-38.5177.259.20000111.8C433 L438 Y439 S440C433-S436 PolarHBondContact O-N 2.92Å; C433-S436 PolarHBondContact O-OG 3.48Å; S436-L438 VanDerWaalsContact C-N 3.34Å; S436-L438 PolarHBondContact O-N 2.85Å; S436-Y439 PolarHBondContact O-N 2.88Å; S436-S440 WeakPolarHBondContact O-CA 2.9Å; S436-S440 WeakPolarHBondContact O-CB 3.46Å; S436-S440 PolarHBondContact O-N 3.37Å; S436-S440 PolarHBondContact O-OG 2.91Å; S436-S440 VanDerWaalsContact O-OG 3.05Å
437T50.8Low46Very low94 Ų9499.6 Ų99.658%0.57755%0.553SS**Hα-helixtrans-65.7-36.5172.3-44.50000111.4A441T437-A441 WeakPolarHBondContact O-CA 3.39Å; T437-A441 WeakPolarHBondContact O-CB 2.84Å; T437-A441 PolarHBondContact O-N 3.42Å
438L50.7Low46.2Very low121 Ų12199.6 Ų99.663%0.63455%0.553SS**Hα-helixtrans-72.6-41.5172.3-70.5172.3000112.5H434 S436 F442H434-L438 WeakPolarHBondContact O-CB 3Å; H434-L438 WeakPolarHBondContact O-CD1 3.13Å; H434-L438 WeakPolarHBondContact O-CG 3.21Å; H434-L438 PolarHBondContact O-N 3.38Å; S436-L438 VanDerWaalsContact C-N 3.34Å; S436-L438 PolarHBondContact O-N 2.85Å; L438-F442 WeakPolarHBondContact O-CA 3.33Å; L438-F442 WeakPolarHBondContact O-CB 3.02Å; L438-F442 PolarHBondContact O-N 3.49Å
439Y53.8Low46.7Very low154 Ų154104.1 Ų104.160%0.60455%0.549SS*.Hα-helixtrans-71.7-37.3-180-164-102.4000112.8C435 S436 Q443C435-Y439 WeakPolarHBondContact O-CB 3.31Å; C435-Y439 PolarHBondContact O-N 2.99Å; S436-Y439 PolarHBondContact O-N 2.88Å; Y439-Q443 HydrophobicContact CD1-CG 4.49Å; Y439-Q443 HydrophobicContact CE1-CG 4.25Å; Y439-Q443 VanDerWaalsContact CZ-NE2 3.25Å; Y439-Q443 WeakPolarHBondContact O-CB 3.39Å; Y439-Q443 PolarHBondContact O-N 2.8Å; Y439-Q443 PolarHBondContact OH-NE2 2.8Å
440S52.1Low47Very low73 Ų73106.5 Ų106.551%0.5156%0.555SS.*Hα-helixtrans-77.4-35174.1-570000112.5S436 A444S436-S440 WeakPolarHBondContact O-CA 2.9Å; S436-S440 WeakPolarHBondContact O-CB 3.46Å; S436-S440 PolarHBondContact O-N 3.37Å; S436-S440 PolarHBondContact O-OG 2.91Å; S436-S440 VanDerWaalsContact O-OG 3.05Å; S440-A444 WeakPolarHBondContact O-CA 3.37Å; S440-A444 WeakPolarHBondContact O-CB 3.41Å; S440-A444 PolarHBondContact O-N 2.99Å
441A54.6Low47.3Very low42 Ų42106.4 Ų106.435%0.34755%0.549SS..Hα-helixtrans-68.9-39.9169.400000110.4T437 Q445T437-A441 WeakPolarHBondContact O-CA 3.39Å; T437-A441 WeakPolarHBondContact O-CB 2.84Å; T437-A441 PolarHBondContact O-N 3.42Å; A441-Q445 WeakPolarHBondContact O-CA 3.38Å; A441-Q445 WeakPolarHBondContact O-CB 3.23Å; A441-Q445 PolarHBondContact O-N 3.14Å
442F55.6Low47.2Very low132 Ų132104.4 Ų104.458%0.57955%0.546SS*.Hα-helixtrans-68.8-45.1178-155.7-86000111.2L438 Q445 E446L438-F442 WeakPolarHBondContact O-CA 3.33Å; L438-F442 WeakPolarHBondContact O-CB 3.02Å; L438-F442 PolarHBondContact O-N 3.49Å; F442-Q445 CarbonylContact O-C 3.58Å; F442-Q445 PolarHBondContact O-N 3.08Å; F442-E446 HydrophobicContact CD1-CG 4.22Å; F442-E446 HydrophobicContact CE1-CG 4.25Å; F442-E446 VanDerWaalsContact CE1-OE1 3.27Å; F442-E446 WeakPolarHBondContact CE1-OE1 3.19Å; F442-E446 WeakPolarHBondContact O-CB 3.46Å; F442-E446 WeakPolarHBondContact O-CG 3.41Å; F442-E446 PolarHBondContact O-N 3.26Å
443Q57.4Low47.8Very low57 Ų57106 Ų10627%0.26654%0.544SS..Hα-helixtrans-70.9-32.7173.5-77-156.711.200114Y439 R447Y439-Q443 HydrophobicContact CD1-CG 4.49Å; Y439-Q443 HydrophobicContact CE1-CG 4.25Å; Y439-Q443 VanDerWaalsContact CZ-NE2 3.25Å; Y439-Q443 WeakPolarHBondContact O-CB 3.39Å; Y439-Q443 PolarHBondContact O-N 2.8Å; Y439-Q443 PolarHBondContact OH-NE2 2.8Å; Q443-R447 WeakPolarHBondContact O-CB 3.2Å; Q443-R447 VanDerWaalsContact O-CG 3.29Å; Q443-R447 WeakPolarHBondContact O-CG 3.33Å; Q443-R447 PolarHBondContact O-N 3.14Å
444A51.7Low48Very low46 Ų46109.7 Ų109.738%0.3856%0.559SS.*Hα-helixtrans-79.9-23.8174.200000112.1S440 K448S440-A444 WeakPolarHBondContact O-CA 3.37Å; S440-A444 WeakPolarHBondContact O-CB 3.41Å; S440-A444 PolarHBondContact O-N 2.99Å; A444-K448 WeakPolarHBondContact O-CA 3.42Å; A444-K448 WeakPolarHBondContact O-CB 3.46Å; A444-K448 WeakPolarHBondContact O-CG 3.43Å; A444-K448 PolarHBondContact O-N 3Å
445Q51Low48.3Very low95 Ų95112.9 Ų112.944%0.44457%0.572SS.*Hα-helixtrans-82.1-26.1171.4-175172.2-1600111A441 F442 R449A441-Q445 WeakPolarHBondContact O-CA 3.38Å; A441-Q445 WeakPolarHBondContact O-CB 3.23Å; A441-Q445 PolarHBondContact O-N 3.14Å; F442-Q445 CarbonylContact O-C 3.58Å; F442-Q445 PolarHBondContact O-N 3.08Å; Q445-R449 WeakPolarHBondContact O-CB 3.43Å; Q445-R449 WeakPolarHBondContact O-CD 3.35Å; Q445-R449 WeakPolarHBondContact O-CG 3.48Å; Q445-R449 PolarHBondContact O-N 3.24Å; Q445-R449 VanDerWaalsContact O-N 3.17Å
446E50.3Low48.3Very low100 Ų100114.3 Ų114.347%0.46757%0.569SS.*Hα-helixtrans-79.9-48.1167.8-75.1-170.1154.100111.2F442 R449 F450F442-E446 HydrophobicContact CD1-CG 4.22Å; F442-E446 HydrophobicContact CE1-CG 4.25Å; F442-E446 VanDerWaalsContact CE1-OE1 3.27Å; F442-E446 WeakPolarHBondContact CE1-OE1 3.19Å; F442-E446 WeakPolarHBondContact O-CB 3.46Å; F442-E446 WeakPolarHBondContact O-CG 3.41Å; F442-E446 PolarHBondContact O-N 3.26Å; E446-R449 CarbonylContact O-C 3.52Å; E446-R449 WeakPolarHBondContact O-CA 3.2Å; E446-R449 PolarHBondContact O-N 3.11Å; E446-F450 PolarHBondContact O-N 2.99Å
447R45.6Very low48.7Very low154 Ų154117.4 Ų117.458%0.58159%0.587SS**Hα-helixtrans-65.8-40175.8-68.6179.1-178160.15112.6Q443 R449 F450 D451Q443-R447 WeakPolarHBondContact O-CB 3.2Å; Q443-R447 VanDerWaalsContact O-CG 3.29Å; Q443-R447 WeakPolarHBondContact O-CG 3.33Å; Q443-R447 PolarHBondContact O-N 3.14Å; R447-R449 VanDerWaalsContact C-N 3.25Å; R447-R449 PolarHBondContact O-N 3.17Å; R447-F450 PolarHBondContact O-N 3.09Å; R447-D451 WeakPolarHBondContact O-CA 3.39Å; R447-D451 VanDerWaalsContact O-CB 3.27Å; R447-D451 WeakPolarHBondContact O-CB 3.45Å; R447-D451 PolarHBondContact O-N 3.17Å
448K42.5Very low48.9Very low163 Ų163118.6 Ų118.671%0.70959%0.59SS**Hα-helixtrans-80.45168.8-56.7179.8176-174.70114.3A444 S452A444-K448 WeakPolarHBondContact O-CA 3.42Å; A444-K448 WeakPolarHBondContact O-CB 3.46Å; A444-K448 WeakPolarHBondContact O-CG 3.43Å; A444-K448 PolarHBondContact O-N 3Å; K448-S452 WeakPolarHBondContact O-CB 3.29Å
449R44.6Very low49.2Very low162 Ų162120.7 Ų120.761%0.61159%0.594SS**Hα-helixtrans-106.2-7.3162.1-78.2174.6177.4-172.8-3.9113.5Q445 E446 R447 V453Q445-R449 WeakPolarHBondContact O-CB 3.43Å; Q445-R449 WeakPolarHBondContact O-CD 3.35Å; Q445-R449 WeakPolarHBondContact O-CG 3.48Å; Q445-R449 PolarHBondContact O-N 3.24Å; Q445-R449 VanDerWaalsContact O-N 3.17Å; E446-R449 CarbonylContact O-C 3.52Å; E446-R449 WeakPolarHBondContact O-CA 3.2Å; E446-R449 PolarHBondContact O-N 3.11Å; R447-R449 VanDerWaalsContact C-N 3.25Å; R447-R449 PolarHBondContact O-N 3.17Å; R449-V453 WeakPolarHBondContact O-CG2 3.33Å
450F45.4Very low49.6Very low167 Ų167114.8 Ų114.873%0.73258%0.577SS**Hα-helixtrans-110.2-35.9174.6-90.3-88.3000112.7E446 R447E446-F450 PolarHBondContact O-N 2.99Å; R447-F450 PolarHBondContact O-N 3.09Å
451D42.3Very low50.7Low135 Ų135117.4 Ų117.472%0.72258%0.581SS**THydrogen-bonded Turntrans-96.98.4-179.2-51.3-38.7000113R447R447-D451 WeakPolarHBondContact O-CA 3.39Å; R447-D451 VanDerWaalsContact O-CB 3.27Å; R447-D451 WeakPolarHBondContact O-CB 3.45Å; R447-D451 PolarHBondContact O-N 3.17Å
452S38.4Very low51.7Low80 Ų80120.7 Ų120.756%0.55960%0.599SS**THydrogen-bonded Turntrans-135.927.9177.1-1750000111.6K448 D454K448-S452 WeakPolarHBondContact O-CB 3.29Å; S452-D454 PolarHBondContact O-N 2.84Å; S452-D454 VanDerWaalsContact O-N 3.17Å
453V48.6Very low52.9Low90 Ų90117.5 Ų117.555%0.54559%0.59SS.*  trans-81.890.9170.2-174.10000108R449 F455R449-V453 WeakPolarHBondContact O-CG2 3.33Å; V453-F455 PolarHBondContact O-N 2.98Å
454D42.8Very low53.7Low145 Ų145117.9 Ų117.978%0.77559%0.592SS**  trans-45.3128.9153-75.7-54.1000108.1S452 H456S452-D454 PolarHBondContact O-N 2.84Å; S452-D454 VanDerWaalsContact O-N 3.17Å; D454-H456 VanDerWaalsContact C-N 3.31Å; D454-H456 PolarHBondContact O-N 3.35Å
455F46.2Very low54.8Low206 Ų206117.6 Ų117.690%0.90459%0.589SS**  trans-54.589.7-175.2-79-102.2000111V453 P457V453-F455 PolarHBondContact O-N 2.98Å; F455-P457 VanDerWaalsContact O-CD 3.29Å; F455-P457 WeakPolarHBondContact O-CD 3.08Å
456H44.8Very low56.2Low124 Ų124118.1 Ų118.157%0.57459%0.592SS**  trans-70.8118.3-177.6-150.9-49.9000107.1D454 L458 F459D454-H456 VanDerWaalsContact C-N 3.31Å; D454-H456 PolarHBondContact O-N 3.35Å; H456-L458 PolarHBondContact O-N 2.85Å; H456-F459 PolarHBondContact O-N 3.23Å; H456-F459 VanDerWaalsContact O-N 3.12Å
457P53.2Low57.7Low125 Ų125113.8 Ų113.881%0.81257%0.571SS**THydrogen-bonded Turntrans-74.528.7-169.131.1-38000113.8F455F455-P457 VanDerWaalsContact O-CD 3.29Å; F455-P457 WeakPolarHBondContact O-CD 3.08Å
458L56.3Low59.4Low120 Ų120107.7 Ų107.763%0.62855%0.55SS**THydrogen-bonded Turntrans-120.7-15.8178.4-64175.9000112H456 A460H456-L458 PolarHBondContact O-N 2.85Å; L458-A460 PolarHBondContact O-N 2.95Å
459F55.5Low61.2Low165 Ų165107.1 Ų107.172%0.72455%0.548SS*.SBendtrans-83102.7165.4-109.2-94.7000108.6H456H456-F459 PolarHBondContact O-N 3.23Å; H456-F459 VanDerWaalsContact O-N 3.12Å
460A62.1Low63.2Low29 Ų29101.5 Ų101.524%0.2453%0.53CS..  trans4.311814400000114.6L458 E464L458-A460 PolarHBondContact O-N 2.95Å; A460-E464 WeakPolarHBondContact CA-OE2 3.32Å; A460-E464 HydrophobicContact CB-CB 3.34Å; A460-E464 HydrophobicContact CB-CG 4.07Å; A460-E464 VanDerWaalsContact CB-OE2 3.22Å; A460-E464 WeakPolarHBondContact CB-OE2 2.95Å
461E75.1Confident65Low128 Ų12893.5 Ų93.560%0.59850%0.495SS*.  trans-45157.9178-67.1-178.2161.800112.3M1 T463 E464 A465M1-E461 HydrophobicContact CE-CB 3.38Å; M1-E461 HydrophobicContact CE-CG 4.3Å; M1-E461 WeakPolarHBondContact CE-OE2 3.43Å; E461-T463 VanDerWaalsContact C-N 3.32Å; E461-T463 PolarHBondContact O-N 2.93Å; E461-E464 HydrophobicContact CB-CG 3.99Å; E461-E464 VanDerWaalsContact O-CA 3.27Å; E461-E464 WeakPolarHBondContact O-CA 2.99Å; E461-E464 WeakPolarHBondContact O-CB 3.13Å; E461-E464 WeakPolarHBondContact O-CG 3.02Å; E461-E464 PolarHBondContact O-N 2.98Å; E461-A465 PolarHBondContact O-N 2.9Å
462P77.1Confident67Low112 Ų11290 Ų9073%0.72748%0.476SS*.Hα-helixtrans-48.7-46-166.6-31.636.5000115.5E464 A465 E466P462-E464 VanDerWaalsContact C-N 3.29Å; P462-E464 PolarHBondContact O-N 3.2Å; P462-A465 WeakPolarHBondContact O-CB 3.31Å; P462-A465 PolarHBondContact O-N 3.43Å; P462-E466 PolarHBondContact O-N 3.19Å; P462-E466 VanDerWaalsContact O-N 3.15Å
463T79.2Confident69.2Low64 Ų6493.4 Ų93.439%0.39348%0.477SS..Hα-helixtrans-76.3-9.2178.11.60000113.7M1 E461 Y467M1-T463 WeakPolarHBondContact CE-OG1 3.19Å; M1-T463 WeakPolarHBondContact SD-CB 3.41Å; M1-T463 PolarHBondContact SD-OG1 2.94Å; E461-T463 VanDerWaalsContact C-N 3.32Å; E461-T463 PolarHBondContact O-N 2.93Å; T463-Y467 WeakPolarHBondContact O-CB 3.43Å; T463-Y467 WeakPolarHBondContact O-CD2 3.03Å; T463-Y467 PolarHBondContact O-N 2.69Å
464E74.3Confident71Confident66 Ų6689.2 Ų89.231%0.30845%0.452SS..Hα-helixtrans-80-32.2164.7-48.7-144.8125.500112.6M1 A460 E461 P462 Y467 L468M1-E464 HydrophobicContact CB-CG 3.66Å; M1-E464 HydrophobicContact CE-CG 3.94Å; M1-E464 HydrophobicContact CG-CG 4.14Å; M1-E464 VanDerWaalsContact N-CG 3.26Å; M1-E464 PolarHBondContact N-OE1 3Å; A460-E464 WeakPolarHBondContact CA-OE2 3.32Å; A460-E464 HydrophobicContact CB-CB 3.34Å; A460-E464 HydrophobicContact CB-CG 4.07Å; A460-E464 VanDerWaalsContact CB-OE2 3.22Å; A460-E464 WeakPolarHBondContact CB-OE2 2.95Å; E461-E464 HydrophobicContact CB-CG 3.99Å; E461-E464 VanDerWaalsContact O-CA 3.27Å; E461-E464 WeakPolarHBondContact O-CA 2.99Å; E461-E464 WeakPolarHBondContact O-CB 3.13Å; E461-E464 WeakPolarHBondContact O-CG 3.02Å; E461-E464 PolarHBondContact O-N 2.98Å; P462-E464 VanDerWaalsContact C-N 3.29Å; P462-E464 PolarHBondContact O-N 3.2Å; E464-Y467 VanDerWaalsContact CA-CB 3.47Å; E464-Y467 WeakPolarHBondContact O-CB 3.16Å; E464-L468 WeakPolarHBondContact O-CB 3.4Å; E464-L468 PolarHBondContact O-N 2.72Å; E464-L468 VanDerWaalsContact O-N 3.08Å
465A74.7Confident73.1Confident39 Ų3983.9 Ų83.932%0.32242%0.421SS..Hα-helixtrans-71.8-43.9173.700000110.5E461 P462 Y467 L468 K469E461-A465 PolarHBondContact O-N 2.9Å; P462-A465 WeakPolarHBondContact O-CB 3.31Å; P462-A465 PolarHBondContact O-N 3.43Å; A465-Y467 VanDerWaalsContact C-N 3.34Å; A465-Y467 PolarHBondContact O-N 3.43Å; A465-L468 PolarHBondContact O-N 3.15Å; A465-L468 VanDerWaalsContact O-N 3.14Å; A465-K469 WeakPolarHBondContact O-CB 3.48Å; A465-K469 PolarHBondContact O-N 2.86Å
466E80.9Confident74.6Confident107 Ų10781.1 Ų81.150%0.541%0.413SS..Hα-helixtrans-59.3-46.5173.6-177.4165.2-14400111.7P462 L468 K469 N470P462-E466 PolarHBondContact O-N 3.19Å; P462-E466 VanDerWaalsContact O-N 3.15Å; E466-L468 PolarHBondContact O-N 3.22Å; E466-K469 WeakPolarHBondContact O-CB 3.45Å; E466-K469 PolarHBondContact O-N 3.39Å; E466-N470 WeakPolarHBondContact O-CB 2.97Å; E466-N470 VanDerWaalsContact O-CG 3.26Å; E466-N470 PolarHBondContact O-N 3.23Å
467Y81.3Confident76.4Confident8 Ų878 Ų783%0.03140%0.402CS..Hα-helixtrans-40.5-52.6163.6-124.2-140.2000116.2M1 L2 E3 S4 I5 D6 T463 E464 A465 N470 I471M1-Y467 VanDerWaalsContact C-CD1 3.42Å; M1-Y467 VanDerWaalsContact N-CD1 3.34Å; M1-Y467 WeakPolarHBondContact O-CD2 3.18Å; M1-Y467 WeakPolarHBondContact O-CE1 3.4Å; M1-Y467 WeakPolarHBondContact O-CE2 3.45Å; L2-Y467 VanDerWaalsContact C-CZ 3.47Å; L2-Y467 WeakPolarHBondContact CA-OH 3.41Å; L2-Y467 PolarHBondContact O-OH 3.28Å; E3-Y467 VanDerWaalsContact C-CE1 3.44Å; E3-Y467 WeakPolarHBondContact CA-OH 3.3Å; E3-Y467 PolarHBondContact N-OH 2.77Å; S4-Y467 VanDerWaalsContact CB-O 3.32Å; S4-Y467 WeakPolarHBondContact CB-O 2.95Å; S4-Y467 VanDerWaalsContact N-CZ 3.27Å; S4-Y467 PolarHBondContact N-OH 3.28Å; S4-Y467 WeakPolarHBondContact OG-CD1 3.02Å; I5-Y467 VanDerWaalsContact CA-CE2 3.5Å; I5-Y467 HydrophobicContact CB-CD2 3.63Å; I5-Y467 HydrophobicContact CB-CE2 3.23Å; I5-Y467 HydrophobicContact CD1-CD2 3.48Å; I5-Y467 VanDerWaalsContact CD1-CD2 3.48Å; I5-Y467 HydrophobicContact CD1-CE2 3.84Å; I5-Y467 HydrophobicContact CG1-CD2 3.31Å; I5-Y467 HydrophobicContact CG1-CE2 3.53Å; I5-Y467 HydrophobicContact CG1-CG 4.21Å; I5-Y467 VanDerWaalsContact N-CD2 3.3Å; I5-Y467 PolarHBondContact N-OH 2.53Å; D6-Y467 PolarHBondContact N-OH 3.17Å; D6-Y467 PolarHBondContact OD1-OH 3.12Å; D6-Y467 VanDerWaalsContact OD1-OH 3.09Å; T463-Y467 WeakPolarHBondContact O-CB 3.43Å; T463-Y467 WeakPolarHBondContact O-CD2 3.03Å; T463-Y467 PolarHBondContact O-N 2.69Å; E464-Y467 VanDerWaalsContact CA-CB 3.47Å; E464-Y467 WeakPolarHBondContact O-CB 3.16Å; A465-Y467 VanDerWaalsContact C-N 3.34Å; A465-Y467 PolarHBondContact O-N 3.43Å; Y467-N470 WeakPolarHBondContact O-CB 3.45Å; Y467-N470 PolarHBondContact O-N 3.36Å; Y467-I471 PolarHBondContact O-N 2.91Å
468L82.4Confident78.1Confident27 Ų2773.1 Ų73.114%0.14137%0.369CS..Hα-helixtrans-78.5-40.4-173.7176.260.7000110.4E464 A465 E466 N470 I471 L472 V496E464-L468 WeakPolarHBondContact O-CB 3.4Å; E464-L468 PolarHBondContact O-N 2.72Å; E464-L468 VanDerWaalsContact O-N 3.08Å; A465-L468 PolarHBondContact O-N 3.15Å; A465-L468 VanDerWaalsContact O-N 3.14Å; E466-L468 PolarHBondContact O-N 3.22Å; L468-N470 PolarHBondContact O-N 3.11Å; L468-I471 PolarHBondContact O-N 3.34Å; L468-L472 HydrophobicContact CD1-CD1 4.1Å; L468-L472 HydrophobicContact CD1-CG 4.18Å; L468-L472 HydrophobicContact CG-CD1 3.94Å; L468-L472 HydrophobicContact CG-CG 4.46Å; L468-L472 WeakPolarHBondContact O-CB 3.48Å; L468-L472 WeakPolarHBondContact O-CG 3.44Å; L468-L472 PolarHBondContact O-N 3.38Å; L468-V496 HydrophobicContact CB-CG1 4.31Å; L468-V496 HydrophobicContact CD1-CB 3.9Å; L468-V496 HydrophobicContact CD1-CG1 3.73Å; L468-V496 HydrophobicContact CD1-CG2 4.43Å; L468-V496 HydrophobicContact CD2-CG1 3.69Å; L468-V496 HydrophobicContact CG-CG1 4.1Å
469K80.6Confident79.5Confident151 Ų15170.7 Ų70.766%0.65735%0.351SS*.Hα-helixtrans-52.9-44.6168.4173.8-172.7175.7-171.80110.4A465 E466 L472 Y473A465-K469 WeakPolarHBondContact O-CB 3.48Å; A465-K469 PolarHBondContact O-N 2.86Å; E466-K469 WeakPolarHBondContact O-CB 3.45Å; E466-K469 PolarHBondContact O-N 3.39Å; K469-L472 PolarHBondContact O-N 3.49Å; K469-Y473 VanDerWaalsContact O-CB 3.24Å; K469-Y473 WeakPolarHBondContact O-CB 3.37Å; K469-Y473 PolarHBondContact O-N 2.72Å
470N85.9Confident80.8Confident43 Ų4371 Ų7123%0.2336%0.355CS..Hα-helixtrans-58.9-58.5174.4-85.9-9.8000111I5 L8 E466 Y467 L468 L472 Y473 R474I5-N470 HydrophobicContact CG1-CB 4.2Å; L8-N470 HydrophobicContact CB-CB 3.84Å; L8-N470 HydrophobicContact CD1-CB 3.53Å; L8-N470 WeakPolarHBondContact CD1-O 3.43Å; L8-N470 HydrophobicContact CD2-CB 3.87Å; L8-N470 HydrophobicContact CG-CB 3.88Å; E466-N470 WeakPolarHBondContact O-CB 2.97Å; E466-N470 VanDerWaalsContact O-CG 3.26Å; E466-N470 PolarHBondContact O-N 3.23Å; Y467-N470 WeakPolarHBondContact O-CB 3.45Å; Y467-N470 PolarHBondContact O-N 3.36Å; L468-N470 PolarHBondContact O-N 3.11Å; N470-L472 VanDerWaalsContact C-N 3.27Å; N470-L472 PolarHBondContact O-N 3.13Å; N470-Y473 PolarHBondContact O-N 3.03Å; N470-R474 VanDerWaalsContact O-CB 3.29Å; N470-R474 WeakPolarHBondContact O-CB 3.27Å; N470-R474 PolarHBondContact O-N 3.13Å
471I83.4Confident81.8Confident0 Ų071.4 Ų71.40%035%0.353CS..Hα-helixtrans-48.4-49.3173.3-83.3-160.5000112.8S4 R7 Y467 L468 R474 Y475 L489 A492 I493S4-I471 VanDerWaalsContact CA-CD1 3.4Å; S4-I471 WeakPolarHBondContact O-CD1 3.5Å; S4-I471 WeakPolarHBondContact O-CG1 3.27Å; R7-I471 HydrophobicContact CB-CD1 3.67Å; R7-I471 HydrophobicContact CB-CG1 4.23Å; R7-I471 HydrophobicContact CG-CD1 4.38Å; Y467-I471 PolarHBondContact O-N 2.91Å; L468-I471 PolarHBondContact O-N 3.34Å; I471-R474 CarbonylContact O-C 3.59Å; I471-R474 PolarHBondContact O-N 3.29Å; I471-Y475 WeakPolarHBondContact O-CB 2.75Å; I471-Y475 PolarHBondContact O-N 3.03Å; I471-L489 HydrophobicContact CG2-CD2 4.43Å; I471-A492 HydrophobicContact CD1-CB 3.51Å; I471-I493 HydrophobicContact CG2-CD1 3.94Å; I471-I493 HydrophobicContact CG2-CG1 3.36Å
472L84.8Confident82.1Confident61 Ų6165.3 Ų65.332%0.31932%0.324SS..Hα-helixtrans-69.2-48.4-171.2-81.5169.9000110.9L468 K469 N470 R474 Y475 M476 I493L468-L472 HydrophobicContact CD1-CD1 4.1Å; L468-L472 HydrophobicContact CD1-CG 4.18Å; L468-L472 HydrophobicContact CG-CD1 3.94Å; L468-L472 HydrophobicContact CG-CG 4.46Å; L468-L472 WeakPolarHBondContact O-CB 3.48Å; L468-L472 WeakPolarHBondContact O-CG 3.44Å; L468-L472 PolarHBondContact O-N 3.38Å; K469-L472 PolarHBondContact O-N 3.49Å; N470-L472 VanDerWaalsContact C-N 3.27Å; N470-L472 PolarHBondContact O-N 3.13Å; L472-R474 PolarHBondContact O-N 3.27Å; L472-R474 VanDerWaalsContact O-N 3.17Å; L472-Y475 PolarHBondContact O-N 3.38Å; L472-M476 WeakPolarHBondContact O-CB 3.46Å; L472-M476 WeakPolarHBondContact O-CG 2.98Å; L472-M476 PolarHBondContact O-N 3.32Å; L472-I493 HydrophobicContact CD2-CD1 4.11Å; L472-I493 HydrophobicContact CD2-CG1 4.24Å; L472-I493 HydrophobicContact CD2-CG2 4.26Å
473Y84.3Confident82.5Confident152 Ų15261 Ų6160%0.59630%0.3SS*.Hα-helixtrans-48.2-45.4171.7172.8-97.1000110K469 N470 T477K469-Y473 VanDerWaalsContact O-CB 3.24Å; K469-Y473 WeakPolarHBondContact O-CB 3.37Å; K469-Y473 PolarHBondContact O-N 2.72Å; N470-Y473 PolarHBondContact O-N 3.03Å; Y473-T477 HydrophobicContact CD2-CG2 4.19Å; Y473-T477 HydrophobicContact CE1-CG2 4.32Å; Y473-T477 HydrophobicContact CE2-CG2 3.77Å; Y473-T477 WeakPolarHBondContact O-CB 3.47Å; Y473-T477 WeakPolarHBondContact O-CG2 3.16Å; Y473-T477 PolarHBondContact O-N 3.38Å; Y473-T477 PolarHBondContact O-OG1 3.46Å
474R85.9Confident82.7Confident2 Ų266.9 Ų66.91%0.00832%0.315CS..Hα-helixtrans-79.9-42-172.3-155.8176.957.3152.923.2111.9R7 L8 A9 I11 C12 N470 I471 L472 M476 E478R7-R474 PolarHBondContact O-NH2 3.04Å; L8-R474 HydrophobicContact CD1-CB 3.51Å; L8-R474 VanDerWaalsContact CD1-CD 3.43Å; L8-R474 HydrophobicContact CD1-CG 3.98Å; L8-R474 VanDerWaalsContact O-CZ 3.29Å; L8-R474 PolarHBondContact O-NH1 2.7Å; A9-R474 PolarHBondContact O-NH1 2.95Å; A9-R474 PolarHBondContact O-NH2 3.44Å; A9-R474 VanDerWaalsContact O-NH2 3.13Å; I11-R474 HydrophobicContact CB-CG 3.76Å; I11-R474 VanDerWaalsContact CB-NH2 3.31Å; I11-R474 VanDerWaalsContact CD1-C 3.41Å; I11-R474 HydrophobicContact CD1-CB 3.48Å; I11-R474 VanDerWaalsContact CD1-CB 3.48Å; I11-R474 HydrophobicContact CD1-CG 3.67Å; I11-R474 HydrophobicContact CG1-CB 4.32Å; I11-R474 HydrophobicContact CG1-CG 4.05Å; I11-R474 VanDerWaalsContact CG1-CZ 3.45Å; I11-R474 HydrophobicContact CG2-CG 4.13Å; I11-R474 VanDerWaalsContact N-CZ 3.34Å; C12-R474 WeakPolarHBondContact SG-CD 3.12Å; C12-R474 PolarHBondContact SG-NH1 2.97Å; N470-R474 VanDerWaalsContact O-CB 3.29Å; N470-R474 WeakPolarHBondContact O-CB 3.27Å; N470-R474 PolarHBondContact O-N 3.13Å; I471-R474 CarbonylContact O-C 3.59Å; I471-R474 PolarHBondContact O-N 3.29Å; L472-R474 PolarHBondContact O-N 3.27Å; L472-R474 VanDerWaalsContact O-N 3.17Å; R474-M476 VanDerWaalsContact C-N 3.28Å; R474-M476 PolarHBondContact O-N 2.99Å; R474-E478 HydrophobicContact CB-CG 4.4Å; R474-E478 VanDerWaalsContact CD-OE2 3.24Å; R474-E478 WeakPolarHBondContact CD-OE2 3.4Å; R474-E478 HydrophobicContact CG-CB 4.35Å; R474-E478 HydrophobicContact CG-CG 3.55Å; R474-E478 WeakPolarHBondContact CG-OE2 3.48Å; R474-E478 VanDerWaalsContact O-CA 3.29Å; R474-E478 WeakPolarHBondContact O-CA 3.22Å; R474-E478 WeakPolarHBondContact O-CB 3.14Å; R474-E478 WeakPolarHBondContact O-CG 3.45Å; R474-E478 PolarHBondContact O-N 3.36Å
475Y86.9Confident83.3Confident32 Ų3264.4 Ų64.413%0.12530%0.304CS..Hα-helixtrans-63.2-35.9172.1176.6-98.7000111.9I471 L472 R479 L489 I493 E511I471-Y475 WeakPolarHBondContact O-CB 2.75Å; I471-Y475 PolarHBondContact O-N 3.03Å; L472-Y475 PolarHBondContact O-N 3.38Å; Y475-R479 HydrophobicContact CE2-CG 4.43Å; Y475-R479 WeakPolarHBondContact O-CB 3.38Å; Y475-R479 PolarHBondContact O-N 3.45Å; Y475-R479 VanDerWaalsContact OH-CZ 3.24Å; Y475-R479 PolarHBondContact OH-NE 2.87Å; Y475-R479 PolarHBondContact OH-NH2 2.95Å; Y475-R479 VanDerWaalsContact OH-NH2 3.11Å; Y475-L489 HydrophobicContact CD2-CB 3.75Å; Y475-L489 HydrophobicContact CD2-CD1 4.41Å; Y475-L489 HydrophobicContact CE2-CB 4.4Å; Y475-I493 HydrophobicContact CD1-CD1 3.42Å; Y475-I493 VanDerWaalsContact CD1-CD1 3.42Å; Y475-I493 HydrophobicContact CD2-CD1 4.04Å; Y475-I493 HydrophobicContact CE1-CD1 4.05Å; Y475-I493 HydrophobicContact CG-CD1 3.4Å; Y475-E511 PolarHBondContact OH-OE2 2.67Å
476M78.8Confident84.1Confident149 Ų14962.7 Ų62.773%0.73429%0.289SS*.Hα-helixtrans-72.4-50178.3-72.9178.863.800113.3L472 R474 E478L472-M476 WeakPolarHBondContact O-CB 3.46Å; L472-M476 WeakPolarHBondContact O-CG 2.98Å; L472-M476 PolarHBondContact O-N 3.32Å; R474-M476 VanDerWaalsContact C-N 3.28Å; R474-M476 PolarHBondContact O-N 2.99Å; M476-E478 VanDerWaalsContact C-N 3.31Å
477T82.4Confident84.7Confident58 Ų5858.6 Ų58.636%0.35627%0.271SS..Hα-helixtrans-70.8-32.617850.20000111.2R15 Y473R15-T477 PolarHBondContact NH2-O 3.08Å; Y473-T477 HydrophobicContact CD2-CG2 4.19Å; Y473-T477 HydrophobicContact CE1-CG2 4.32Å; Y473-T477 HydrophobicContact CE2-CG2 3.77Å; Y473-T477 WeakPolarHBondContact O-CB 3.47Å; Y473-T477 WeakPolarHBondContact O-CG2 3.16Å; Y473-T477 PolarHBondContact O-N 3.38Å; Y473-T477 PolarHBondContact O-OG1 3.46Å
478E87.4Confident85.2Confident23 Ų2360.7 Ų60.711%0.10729%0.285CS..Hα-helixtrans-103.6-15.9-158-48.9-141.9123.500117.1I11 C12 R15 R474 M476 E480 L481 L482I11-E478 HydrophobicContact CG2-CB 3.89Å; C12-E478 PolarHBondContact N-OE2 2.97Å; R15-E478 WeakPolarHBondContact CD-OE1 3.08Å; R15-E478 HydrophobicContact CG-CB 3.55Å; R15-E478 HydrophobicContact CG-CG 3.88Å; R15-E478 WeakPolarHBondContact CG-OE2 3.13Å; R15-E478 IonicContact CZ-OE1 2.7Å; R15-E478 IonicContact NE-OE1 3.4Å; R15-E478 VanDerWaalsContact NH1-CG 3.28Å; R15-E478 IonicContact NH1-OE1 3.95Å; R15-E478 PolarHBondContact NH1-OE1 3.01Å; R474-E478 HydrophobicContact CB-CG 4.4Å; R474-E478 VanDerWaalsContact CD-OE2 3.24Å; R474-E478 WeakPolarHBondContact CD-OE2 3.4Å; R474-E478 HydrophobicContact CG-CB 4.35Å; R474-E478 HydrophobicContact CG-CG 3.55Å; R474-E478 WeakPolarHBondContact CG-OE2 3.48Å; R474-E478 VanDerWaalsContact O-CA 3.29Å; R474-E478 WeakPolarHBondContact O-CA 3.22Å; R474-E478 WeakPolarHBondContact O-CB 3.14Å; R474-E478 WeakPolarHBondContact O-CG 3.45Å; R474-E478 PolarHBondContact O-N 3.36Å; M476-E478 VanDerWaalsContact C-N 3.31Å; E478-E480 VanDerWaalsContact C-N 3.29Å; E478-E480 PolarHBondContact O-N 3.43Å; E478-L481 PolarHBondContact O-N 3.05Å; E478-L482 HydrophobicContact CB-CD2 3.68Å; E478-L482 HydrophobicContact CB-CG 4.47Å; E478-L482 WeakPolarHBondContact O-CD2 3.4Å; E478-L482 VanDerWaalsContact O-CG 3.28Å; E478-L482 WeakPolarHBondContact O-CG 3.45Å
479R86.6Confident85.5Confident69 Ų6959.4 Ų59.426%0.2628%0.279SS..G310 helixtrans-33.9-40.6-166.6-158176.3179.4167.97.4119.8Y475 L482 E511Y475-R479 HydrophobicContact CE2-CG 4.43Å; Y475-R479 WeakPolarHBondContact O-CB 3.38Å; Y475-R479 PolarHBondContact O-N 3.45Å; Y475-R479 VanDerWaalsContact OH-CZ 3.24Å; Y475-R479 PolarHBondContact OH-NE 2.87Å; Y475-R479 PolarHBondContact OH-NH2 2.95Å; Y475-R479 VanDerWaalsContact OH-NH2 3.11Å; R479-L482 VanDerWaalsContact C-CG 3.48Å; R479-L482 VanDerWaalsContact CA-CD1 3.48Å; R479-L482 VanDerWaalsContact O-CB 3.3Å; R479-L482 WeakPolarHBondContact O-CB 3.48Å; R479-L482 VanDerWaalsContact O-CG 3.29Å; R479-L482 WeakPolarHBondContact O-CG 3.49Å; R479-E511 IonicContact CZ-OE1 3.53Å; R479-E511 IonicContact CZ-OE2 3.66Å; R479-E511 IonicContact NE-OE1 3.74Å; R479-E511 PolarHBondContact NE-OE1 3.43Å; R479-E511 IonicContact NE-OE2 2.78Å; R479-E511 PolarHBondContact NE-OE2 3.13Å; R479-E511 IonicContact NH2-OE1 3.24Å; R479-E511 PolarHBondContact NH2-OE1 3.49Å; R479-E511 IonicContact NH2-OE2 2.68Å; R479-E511 PolarHBondContact NH2-OE2 3.24Å
480E82.5Confident86.1Confident171 Ų17152.3 Ų52.380%0.79925%0.248SC*.G310 helixtrans-80.6-27.7-173.4-65174.5170.500112.5E478 L482E478-E480 VanDerWaalsContact C-N 3.29Å; E478-E480 PolarHBondContact O-N 3.43Å; E480-L482 PolarHBondContact O-N 2.81Å
481L82.5Confident86.4Confident38 Ų3855.8 Ų55.820%0.19926%0.261CS..G310 helixtrans-9129.3-178.6-71.3158.7000110.8L14 R15 A18 V19 E478L14-L481 CarbonylContact C-O 2.85Å; L14-L481 VanDerWaalsContact C-O 3.25Å; R15-L481 WeakPolarHBondContact CA-O 3.37Å; R15-L481 HydrophobicContact CG-CB 3.77Å; R15-L481 PolarHBondContact N-O 3.49Å; A18-L481 VanDerWaalsContact CB-C 3.43Å; A18-L481 HydrophobicContact CB-CB 3.89Å; A18-L481 HydrophobicContact CB-CD2 3.84Å; A18-L481 WeakPolarHBondContact CB-O 3.37Å; V19-L481 HydrophobicContact CG2-CD1 3.76Å; V19-L481 HydrophobicContact CG2-CD2 4.01Å; V19-L481 HydrophobicContact CG2-CG 4.39Å; E478-L481 PolarHBondContact O-N 3.05Å
482L81.6Confident86.7Confident0 Ų055.8 Ų55.80%026%0.261CS..  trans-117.6-1.8-163.1-61.3-157.9000116.5I11 L14 R15 E478 R479 E480 R484 E485 S486 L489I11-L482 HydrophobicContact CB-CD2 4.41Å; I11-L482 HydrophobicContact CG2-CD1 3.32Å; I11-L482 HydrophobicContact CG2-CD2 3.03Å; I11-L482 HydrophobicContact CG2-CG 3.75Å; L14-L482 HydrophobicContact CB-CB 4.49Å; L14-L482 HydrophobicContact CB-CD2 4Å; L14-L482 HydrophobicContact CD1-CB 3.68Å; L14-L482 HydrophobicContact CD1-CD1 4.46Å; L14-L482 HydrophobicContact CD1-CD2 4.02Å; L14-L482 HydrophobicContact CD1-CG 4.19Å; L14-L482 WeakPolarHBondContact CD1-O 3.41Å; L14-L482 WeakPolarHBondContact CD2-O 3.46Å; L14-L482 WeakPolarHBondContact CG-O 3.31Å; R15-L482 HydrophobicContact CG-CD2 3.9Å; E478-L482 HydrophobicContact CB-CD2 3.68Å; E478-L482 HydrophobicContact CB-CG 4.47Å; E478-L482 WeakPolarHBondContact O-CD2 3.4Å; E478-L482 VanDerWaalsContact O-CG 3.28Å; E478-L482 WeakPolarHBondContact O-CG 3.45Å; R479-L482 VanDerWaalsContact C-CG 3.48Å; R479-L482 VanDerWaalsContact CA-CD1 3.48Å; R479-L482 VanDerWaalsContact O-CB 3.3Å; R479-L482 WeakPolarHBondContact O-CB 3.48Å; R479-L482 VanDerWaalsContact O-CG 3.29Å; R479-L482 WeakPolarHBondContact O-CG 3.49Å; E480-L482 PolarHBondContact O-N 2.81Å; L482-R484 PolarHBondContact O-N 3.02Å; L482-E485 PolarHBondContact O-N 2.91Å; L482-E485 VanDerWaalsContact O-N 3.16Å; L482-S486 PolarHBondContact O-N 2.87Å; L482-S486 VanDerWaalsContact O-N 3.13Å; L482-L489 HydrophobicContact CD1-CD1 3.6Å
483G86Confident86.9Confident21 Ų2153.6 Ų53.622%0.21625%0.25CC..THydrogen-bonded Turntrans34.8-114.2-179.800000113.3S486 S515G483-S486 PolarHBondContact O-OG 3.36Å; G483-S515 WeakPolarHBondContact O-CB 3.43Å
484R83.8Confident87.2Confident187 Ų18746.6 Ų46.671%0.70622%0.223SC*.THydrogen-bonded Turntrans-85.3-33.1-177.9-62.8-175.1-174.2-173.72.8116L482 S486 V487 W519L482-R484 PolarHBondContact O-N 3.02Å; R484-S486 PolarHBondContact O-N 3.32Å; R484-V487 WeakPolarHBondContact O-CB 3.15Å; R484-V487 WeakPolarHBondContact O-CG2 3.41Å; R484-V487 PolarHBondContact O-N 3.34Å; R484-V487 VanDerWaalsContact O-N 3.12Å; R484-W519 HydrophobicContact CG-CZ2 4.43Å
485E87.5Confident87.3Confident15 Ų1548.8 Ų48.87%0.0724%0.242CC..Hα-helixtrans-79-6.5-177.2-33.1139.4-145.200112.5E10 R13 L14 L482 V487 T488 L489E10-E485 VanDerWaalsContact C-OE2 3.27Å; E10-E485 WeakPolarHBondContact CA-OE2 3.43Å; E10-E485 HydrophobicContact CG-CB 3.94Å; E10-E485 HydrophobicContact CG-CG 3.91Å; E10-E485 WeakPolarHBondContact CG-OE2 3.31Å; E10-E485 VanDerWaalsContact OE1-CD 3.26Å; E10-E485 WeakPolarHBondContact OE1-CG 3.39Å; R13-E485 IonicContact CZ-OE1 3.23Å; R13-E485 IonicContact CZ-OE2 3.83Å; R13-E485 IonicContact NE-OE1 2.68Å; R13-E485 IonicContact NE-OE2 3.48Å; R13-E485 IonicContact NH1-OE1 3.35Å; R13-E485 PolarHBondContact NH1-OE1 3.35Å; R13-E485 VanDerWaalsContact NH1-OE1 3.1Å; R13-E485 IonicContact NH2-OE1 2.92Å; R13-E485 PolarHBondContact NH2-OE1 2.68Å; R13-E485 IonicContact NH2-OE2 2.8Å; L14-E485 HydrophobicContact CD1-CB 3.31Å; L14-E485 HydrophobicContact CD1-CG 3.94Å; L14-E485 HydrophobicContact CD2-CB 3.97Å; L14-E485 HydrophobicContact CD2-CG 3.65Å; L14-E485 WeakPolarHBondContact CD2-OE1 3.4Å; L14-E485 HydrophobicContact CG-CB 3.81Å; L14-E485 HydrophobicContact CG-CG 3.84Å; L14-E485 WeakPolarHBondContact CG-OE1 3.36Å; L14-E485 VanDerWaalsContact CG-OE2 3.23Å; L14-E485 WeakPolarHBondContact CG-OE2 3.49Å; L482-E485 PolarHBondContact O-N 2.91Å; L482-E485 VanDerWaalsContact O-N 3.16Å; E485-V487 PolarHBondContact O-N 2.86Å; E485-V487 VanDerWaalsContact O-N 3.13Å; E485-T488 CarbonylContact O-C 3.55Å; E485-T488 WeakPolarHBondContact O-CA 3Å; E485-T488 VanDerWaalsContact O-CB 3.26Å; E485-T488 WeakPolarHBondContact O-CB 3.29Å; E485-T488 PolarHBondContact O-N 2.75Å; E485-L489 WeakPolarHBondContact O-CD1 3.34Å; E485-L489 WeakPolarHBondContact O-CG 3.45Å; E485-L489 PolarHBondContact O-N 3.43Å
486S91Very high87.1Confident3 Ų349.2 Ų49.22%0.02125%0.248CC..Hα-helixtrans-40.7-43.3155.7640000111.6L482 G483 R484 L489 A490L482-S486 PolarHBondContact O-N 2.87Å; L482-S486 VanDerWaalsContact O-N 3.13Å; G483-S486 PolarHBondContact O-OG 3.36Å; R484-S486 PolarHBondContact O-N 3.32Å; S486-L489 WeakPolarHBondContact O-CB 3.39Å; S486-L489 PolarHBondContact O-N 3.14Å; S486-A490 PolarHBondContact O-N 3.46Å
487V92.4Very high87.4Confident20 Ų2045.6 Ų45.612%0.12123%0.233CC..Hα-helixtrans-72.6-38.5177.4-172.20000111.7R484 E485 L489 A490 K491 L508 E511 E512R484-V487 WeakPolarHBondContact O-CB 3.15Å; R484-V487 WeakPolarHBondContact O-CG2 3.41Å; R484-V487 PolarHBondContact O-N 3.34Å; R484-V487 VanDerWaalsContact O-N 3.12Å; E485-V487 PolarHBondContact O-N 2.86Å; E485-V487 VanDerWaalsContact O-N 3.13Å; V487-L489 PolarHBondContact O-N 3.45Å; V487-A490 PolarHBondContact O-N 2.95Å; V487-K491 WeakPolarHBondContact O-CG 3.5Å; V487-K491 PolarHBondContact O-N 2.82Å; V487-L508 HydrophobicContact CG1-CD2 3.61Å; V487-L508 WeakPolarHBondContact O-CD2 3.46Å; V487-E511 HydrophobicContact CG2-CB 4.25Å; V487-E511 HydrophobicContact CG2-CG 4.41Å; V487-E512 HydrophobicContact CG1-CG 4.33Å; V487-E512 HydrophobicContact CG2-CG 4.11Å
488T91.7Very high87.6Confident53 Ų5350.2 Ų50.233%0.32525%0.249SC..Hα-helixtrans-59.5-30.4172.8-52.80000111.6R7 E10 E485 K491 A492R7-T488 HydrophobicContact CG-CG2 4.2Å; E10-T488 HydrophobicContact CG-CG2 4.11Å; E485-T488 CarbonylContact O-C 3.55Å; E485-T488 WeakPolarHBondContact O-CA 3Å; E485-T488 VanDerWaalsContact O-CB 3.26Å; E485-T488 WeakPolarHBondContact O-CB 3.29Å; E485-T488 PolarHBondContact O-N 2.75Å; T488-K491 WeakPolarHBondContact O-CB 3.44Å; T488-A492 WeakPolarHBondContact O-CB 3.37Å; T488-A492 PolarHBondContact O-N 2.83Å
489L90.7Very high87.7Confident0 Ų052.2 Ų52.20%026%0.257CS..Hα-helixtrans-85-37.8178.4-70.8146.3000115R7 I11 L14 I471 Y475 L482 E485 S486 V487 K491 A492 I493R7-L489 HydrophobicContact CB-CD2 3.59Å; R7-L489 HydrophobicContact CB-CG 4.43Å; I11-L489 HydrophobicContact CB-CD1 3.93Å; I11-L489 HydrophobicContact CD1-CD1 3.47Å; I11-L489 VanDerWaalsContact CD1-CD1 3.47Å; I11-L489 HydrophobicContact CD1-CD2 3.1Å; I11-L489 HydrophobicContact CD1-CG 3.72Å; I11-L489 HydrophobicContact CG1-CD1 3.22Å; I11-L489 HydrophobicContact CG1-CD2 3.22Å; I11-L489 HydrophobicContact CG1-CG 3.58Å; I11-L489 HydrophobicContact CG2-CD1 3.67Å; L14-L489 HydrophobicContact CD1-CD1 4.45Å; I471-L489 HydrophobicContact CG2-CD2 4.43Å; Y475-L489 HydrophobicContact CD2-CB 3.75Å; Y475-L489 HydrophobicContact CD2-CD1 4.41Å; Y475-L489 HydrophobicContact CE2-CB 4.4Å; L482-L489 HydrophobicContact CD1-CD1 3.6Å; E485-L489 WeakPolarHBondContact O-CD1 3.34Å; E485-L489 WeakPolarHBondContact O-CG 3.45Å; E485-L489 PolarHBondContact O-N 3.43Å; S486-L489 WeakPolarHBondContact O-CB 3.39Å; S486-L489 PolarHBondContact O-N 3.14Å; V487-L489 PolarHBondContact O-N 3.45Å; L489-K491 PolarHBondContact O-N 2.91Å; L489-A492 HydrophobicContact CD2-CB 4.47Å; L489-A492 WeakPolarHBondContact O-CA 3.46Å; L489-A492 WeakPolarHBondContact O-CB 3.35Å; L489-A492 PolarHBondContact O-N 3.34Å; L489-I493 WeakPolarHBondContact O-CG1 3.42Å; L489-I493 PolarHBondContact O-N 3.45Å
490A91.7Very high87.9Confident2 Ų250.9 Ų50.92%0.01726%0.258CS..Hα-helixtrans-51.7-45.9164.500000109.7S486 V487 A492 A494 V507 L508 E511S486-A490 PolarHBondContact O-N 3.46Å; V487-A490 PolarHBondContact O-N 2.95Å; A490-A492 VanDerWaalsContact C-N 3.32Å; A490-A492 PolarHBondContact O-N 3.36Å; A490-A494 WeakPolarHBondContact O-CB 3.36Å; A490-A494 PolarHBondContact O-N 3.14Å; A490-V507 HydrophobicContact CB-CG1 3.65Å; A490-L508 HydrophobicContact CB-CD2 3.71Å; A490-E511 HydrophobicContact CB-CB 4.32Å; A490-E511 HydrophobicContact CB-CG 4.45Å
491K92.9Very high88.4Confident116 Ų11647.6 Ų47.650%0.50425%0.252SS..Hα-helixtrans-61.5-37.2170.9-68.7-176-179.8168.30112.9V487 T488 L489 A495 L508V487-K491 WeakPolarHBondContact O-CG 3.5Å; V487-K491 PolarHBondContact O-N 2.82Å; T488-K491 WeakPolarHBondContact O-CB 3.44Å; L489-K491 PolarHBondContact O-N 2.91Å; K491-A495 WeakPolarHBondContact O-CB 3.47Å; K491-A495 PolarHBondContact O-N 3.45Å; K491-L508 HydrophobicContact CD-CD2 4.46Å; K491-L508 HydrophobicContact CG-CD1 4.14Å; K491-L508 HydrophobicContact CG-CD2 3.52Å; K491-L508 HydrophobicContact CG-CG 4.44Å
492A89.4Confident88.7Confident0 Ų049.5 Ų49.50%027%0.268CS..Hα-helixtrans-68.9-52-176.800000113.7R7 I471 T488 L489 A490 A494 A495 V496R7-A492 HydrophobicContact CB-CB 3.98Å; R7-A492 HydrophobicContact CG-CB 3.62Å; R7-A492 VanDerWaalsContact CZ-CA 3.41Å; R7-A492 VanDerWaalsContact CZ-CB 3.45Å; I471-A492 HydrophobicContact CD1-CB 3.51Å; T488-A492 WeakPolarHBondContact O-CB 3.37Å; T488-A492 PolarHBondContact O-N 2.83Å; L489-A492 HydrophobicContact CD2-CB 4.47Å; L489-A492 WeakPolarHBondContact O-CA 3.46Å; L489-A492 WeakPolarHBondContact O-CB 3.35Å; L489-A492 PolarHBondContact O-N 3.34Å; A490-A492 VanDerWaalsContact C-N 3.32Å; A490-A492 PolarHBondContact O-N 3.36Å; A492-A494 VanDerWaalsContact C-N 3.26Å; A492-A494 PolarHBondContact O-N 2.93Å; A492-A495 PolarHBondContact O-N 3.4Å; A492-V496 WeakPolarHBondContact O-CG2 3.3Å; A492-V496 PolarHBondContact O-N 2.95Å
493I89Confident89.2Confident15 Ų1554.2 Ų54.28%0.07729%0.29CS..Hα-helixtrans-61.5-42.7176.3-64.2165.7000108.5I471 L472 Y475 L489 A495 V496 V497 F499I471-I493 HydrophobicContact CG2-CD1 3.94Å; I471-I493 HydrophobicContact CG2-CG1 3.36Å; L472-I493 HydrophobicContact CD2-CD1 4.11Å; L472-I493 HydrophobicContact CD2-CG1 4.24Å; L472-I493 HydrophobicContact CD2-CG2 4.26Å; Y475-I493 HydrophobicContact CD1-CD1 3.42Å; Y475-I493 VanDerWaalsContact CD1-CD1 3.42Å; Y475-I493 HydrophobicContact CD2-CD1 4.04Å; Y475-I493 HydrophobicContact CE1-CD1 4.05Å; Y475-I493 HydrophobicContact CG-CD1 3.4Å; L489-I493 WeakPolarHBondContact O-CG1 3.42Å; L489-I493 PolarHBondContact O-N 3.45Å; I493-A495 VanDerWaalsContact C-N 3.35Å; I493-A495 PolarHBondContact O-N 2.93Å; I493-V496 PolarHBondContact O-N 2.93Å; I493-V497 HydrophobicContact CG2-CG2 3.95Å; I493-V497 WeakPolarHBondContact O-CB 3.35Å; I493-V497 VanDerWaalsContact O-CG2 3.23Å; I493-V497 WeakPolarHBondContact O-CG2 3.5Å; I493-V497 PolarHBondContact O-N 3.42Å; I493-F499 HydrophobicContact CG2-CZ 4.46Å
494A89.8Confident89.6Confident4 Ų454.8 Ų54.83%0.03329%0.29CS..Hα-helixtrans-58.5-41.4174.500000113.6A490 A492 K498 F499 T504A490-A494 WeakPolarHBondContact O-CB 3.36Å; A490-A494 PolarHBondContact O-N 3.14Å; A492-A494 VanDerWaalsContact C-N 3.26Å; A492-A494 PolarHBondContact O-N 2.93Å; A494-K498 CarbonylContact O-C 3.59Å; A494-K498 WeakPolarHBondContact O-CA 3.46Å; A494-K498 PolarHBondContact O-N 3.2Å; A494-F499 HydrophobicContact CB-CB 3.96Å; A494-F499 HydrophobicContact CB-CD2 3.6Å; A494-F499 HydrophobicContact CB-CE2 4.44Å; A494-F499 HydrophobicContact CB-CG 4.1Å; A494-F499 PolarHBondContact O-N 3.4Å; A494-T504 HydrophobicContact CB-CG2 3.93Å
495A87.7Confident90.1Very high49 Ų4954.2 Ų54.241%0.40529%0.287SS..Hα-helixtrans-66.9-49.6178.100000112K491 A492 I493 K498K491-A495 WeakPolarHBondContact O-CB 3.47Å; K491-A495 PolarHBondContact O-N 3.45Å; A492-A495 PolarHBondContact O-N 3.4Å; I493-A495 VanDerWaalsContact C-N 3.35Å; I493-A495 PolarHBondContact O-N 2.93Å; A495-K498 PolarHBondContact O-N 3.16Å
496V83.5Confident90.3Very high41 Ų4158.8 Ų58.825%0.24831%0.312CS..Hα-helixtrans-73.6-38.5-175.2-1730000111.9S4 L468 A492 I493 K498S4-V496 WeakPolarHBondContact OG-CG2 3.46Å; L468-V496 HydrophobicContact CB-CG1 4.31Å; L468-V496 HydrophobicContact CD1-CB 3.9Å; L468-V496 HydrophobicContact CD1-CG1 3.73Å; L468-V496 HydrophobicContact CD1-CG2 4.43Å; L468-V496 HydrophobicContact CD2-CG1 3.69Å; L468-V496 HydrophobicContact CG-CG1 4.1Å; A492-V496 WeakPolarHBondContact O-CG2 3.3Å; A492-V496 PolarHBondContact O-N 2.95Å; I493-V496 PolarHBondContact O-N 2.93Å; V496-K498 PolarHBondContact O-N 2.87Å
497V84.7Confident90.3Very high72 Ų7260.4 Ų60.444%0.43632%0.322SS..THydrogen-bonded Turntrans-80.3-3175.9-172.20000111.7I493 F499I493-V497 HydrophobicContact CG2-CG2 3.95Å; I493-V497 WeakPolarHBondContact O-CB 3.35Å; I493-V497 VanDerWaalsContact O-CG2 3.23Å; I493-V497 WeakPolarHBondContact O-CG2 3.5Å; I493-V497 PolarHBondContact O-N 3.42Å; V497-F499 HydrophobicContact CB-CD1 4.14Å; V497-F499 HydrophobicContact CB-CE1 3.94Å; V497-F499 HydrophobicContact CG1-CD1 3.92Å; V497-F499 HydrophobicContact CG1-CE1 3.52Å; V497-F499 HydrophobicContact CG1-CZ 4.41Å; V497-F499 PolarHBondContact O-N 2.91Å
498K87.3Confident90.4Very high156 Ų15660.6 Ų60.668%0.67832%0.322SS*.THydrogen-bonded Turntrans55.647178.5-57.8177.7-178172.50113A494 A495 V496A494-K498 CarbonylContact O-C 3.59Å; A494-K498 WeakPolarHBondContact O-CA 3.46Å; A494-K498 PolarHBondContact O-N 3.2Å; A495-K498 PolarHBondContact O-N 3.16Å; V496-K498 PolarHBondContact O-N 2.87Å
499F89.2Confident90.5Very high65 Ų6563 Ų6329%0.28533%0.332SS..  trans-58.7143.2173.4-76.1-5.5000111.6I493 A494 V497 Q503 T504 V507I493-F499 HydrophobicContact CG2-CZ 4.46Å; A494-F499 HydrophobicContact CB-CB 3.96Å; A494-F499 HydrophobicContact CB-CD2 3.6Å; A494-F499 HydrophobicContact CB-CE2 4.44Å; A494-F499 HydrophobicContact CB-CG 4.1Å; A494-F499 PolarHBondContact O-N 3.4Å; V497-F499 HydrophobicContact CB-CD1 4.14Å; V497-F499 HydrophobicContact CB-CE1 3.94Å; V497-F499 HydrophobicContact CG1-CD1 3.92Å; V497-F499 HydrophobicContact CG1-CE1 3.52Å; V497-F499 HydrophobicContact CG1-CZ 4.41Å; V497-F499 PolarHBondContact O-N 2.91Å; F499-Q503 HydrophobicContact CB-CB 3.9Å; F499-Q503 HydrophobicContact CD2-CB 4.43Å; F499-Q503 HydrophobicContact CG-CB 4.17Å; F499-T504 WeakPolarHBondContact CB-OG1 3.33Å; F499-V507 HydrophobicContact CD2-CG2 4.22Å; F499-V507 HydrophobicContact CE2-CG2 3.95Å
500S91.7Very high90.5Very high40 Ų4069.5 Ų69.528%0.2836%0.36SS..  trans-63.8156.2174.2770000111.2S502 Q503 T504S500-S502 PolarHBondContact O-N 3.37Å; S500-S502 PolarHBondContact OG-OG 3.2Å; S500-Q503 PolarHBondContact O-N 3.48Å; S500-Q503 WeakPolarHBondContact OG-CG 3.36Å; S500-Q503 PolarHBondContact OG-N 2.88Å; S500-Q503 PolarHBondContact OG-OE1 2.97Å; S500-T504 PolarHBondContact O-N 3.32Å; S500-T504 PolarHBondContact O-OG1 2.93Å
501P92.4Very high90.5Very high102 Ų10269.6 Ų69.666%0.66236%0.361SS*.Hα-helixtrans-57.1-23.2178.2-27.835.9000114.8R505P501-R505 WeakPolarHBondContact O-CB 3.4Å; P501-R505 PolarHBondContact O-N 2.96Å
502S89.7Confident90.5Very high78 Ų7868.6 Ų68.655%0.54536%0.357SS..Hα-helixtrans-81.6-41.1173.653.70000112.6S500 R505 L506S500-S502 PolarHBondContact O-N 3.37Å; S500-S502 PolarHBondContact OG-OG 3.2Å; S502-R505 PolarHBondContact O-N 2.9Å; S502-L506 PolarHBondContact O-N 3.18Å
503Q91.4Very high90.5Very high99 Ų9972 Ų7246%0.46338%0.381SS..Hα-helixtrans-60.7-48.9172.2-74.6169.4-26.300110.8F499 S500 R505 L506 V507F499-Q503 HydrophobicContact CB-CB 3.9Å; F499-Q503 HydrophobicContact CD2-CB 4.43Å; F499-Q503 HydrophobicContact CG-CB 4.17Å; S500-Q503 PolarHBondContact O-N 3.48Å; S500-Q503 WeakPolarHBondContact OG-CG 3.36Å; S500-Q503 PolarHBondContact OG-N 2.88Å; S500-Q503 PolarHBondContact OG-OE1 2.97Å; Q503-R505 VanDerWaalsContact C-N 3.33Å; Q503-R505 PolarHBondContact O-N 3.31Å; Q503-L506 WeakPolarHBondContact O-CB 3.47Å; Q503-L506 PolarHBondContact O-N 3.42Å; Q503-L506 VanDerWaalsContact O-N 3.13Å; Q503-V507 WeakPolarHBondContact O-CG2 3.4Å; Q503-V507 PolarHBondContact O-N 3.11Å
504T93.8Very high90.4Very high33 Ų3377.6 Ų77.620%0.20240%0.401CS..Hα-helixtrans-56.3-46.5176.6-56.20000111.2A494 F499 S500 L506 V507 L508A494-T504 HydrophobicContact CB-CG2 3.93Å; F499-T504 WeakPolarHBondContact CB-OG1 3.33Å; S500-T504 PolarHBondContact O-N 3.32Å; S500-T504 PolarHBondContact O-OG1 2.93Å; T504-L506 PolarHBondContact O-N 3.45Å; T504-V507 PolarHBondContact O-N 2.9Å; T504-L508 HydrophobicContact CG2-CD1 3.94Å; T504-L508 HydrophobicContact CG2-CG 4.42Å; T504-L508 VanDerWaalsContact O-CG 3.23Å; T504-L508 WeakPolarHBondContact O-CG 3.45Å; T504-L508 PolarHBondContact O-N 3.19Å
505R93.6Very high90.2Very high175 Ų17578.2 Ų78.266%0.6641%0.406SS*.Hα-helixtrans-60.8-41.7176.2-122.2-178.7-72.9-173.7-6.7113P501 S502 Q503 L508 L509P501-R505 WeakPolarHBondContact O-CB 3.4Å; P501-R505 PolarHBondContact O-N 2.96Å; S502-R505 PolarHBondContact O-N 2.9Å; Q503-R505 VanDerWaalsContact C-N 3.33Å; Q503-R505 PolarHBondContact O-N 3.31Å; R505-L508 PolarHBondContact O-N 3Å; R505-L509 WeakPolarHBondContact O-CB 3.38Å; R505-L509 WeakPolarHBondContact O-CG 3.47Å; R505-L509 PolarHBondContact O-N 3.12Å
506L93Very high89.9Confident111 Ų11179.4 Ų79.458%0.58142%0.415SS*.Hα-helixtrans-64.8-39.5177.4-94.8164.7000113.1S502 Q503 T504 K510S502-L506 PolarHBondContact O-N 3.18Å; Q503-L506 WeakPolarHBondContact O-CB 3.47Å; Q503-L506 PolarHBondContact O-N 3.42Å; Q503-L506 VanDerWaalsContact O-N 3.13Å; T504-L506 PolarHBondContact O-N 3.45Å; L506-K510 WeakPolarHBondContact O-CB 3.34Å; L506-K510 PolarHBondContact O-N 3.34Å
507V90.3Very high89.5Confident38 Ų3883 Ų8323%0.2344%0.438CS..Hα-helixtrans-69.4-44177.2-179.80000110.1A490 F499 Q503 T504 K510 E511A490-V507 HydrophobicContact CB-CG1 3.65Å; F499-V507 HydrophobicContact CD2-CG2 4.22Å; F499-V507 HydrophobicContact CE2-CG2 3.95Å; Q503-V507 WeakPolarHBondContact O-CG2 3.4Å; Q503-V507 PolarHBondContact O-N 3.11Å; T504-V507 PolarHBondContact O-N 2.9Å; V507-K510 PolarHBondContact O-N 3.29Å; V507-E511 PolarHBondContact O-N 3.19Å
508L94.8Very high88.4Confident23 Ų2384.4 Ų84.412%0.1245%0.446CS..Hα-helixtrans-62.3-47.5177.6-63.6172.8000112.1V487 A490 K491 T504 R505 K510 E511 E512V487-L508 HydrophobicContact CG1-CD2 3.61Å; V487-L508 WeakPolarHBondContact O-CD2 3.46Å; A490-L508 HydrophobicContact CB-CD2 3.71Å; K491-L508 HydrophobicContact CD-CD2 4.46Å; K491-L508 HydrophobicContact CG-CD1 4.14Å; K491-L508 HydrophobicContact CG-CD2 3.52Å; K491-L508 HydrophobicContact CG-CG 4.44Å; T504-L508 HydrophobicContact CG2-CD1 3.94Å; T504-L508 HydrophobicContact CG2-CG 4.42Å; T504-L508 VanDerWaalsContact O-CG 3.23Å; T504-L508 WeakPolarHBondContact O-CG 3.45Å; T504-L508 PolarHBondContact O-N 3.19Å; R505-L508 PolarHBondContact O-N 3Å; L508-K510 VanDerWaalsContact C-N 3.26Å; L508-K510 PolarHBondContact O-N 3.35Å; L508-E511 PolarHBondContact O-N 3Å; L508-E512 WeakPolarHBondContact O-CB 3.33Å; L508-E512 VanDerWaalsContact O-CG 3.3Å; L508-E512 WeakPolarHBondContact O-CG 3.34Å; L508-E512 PolarHBondContact O-N 2.96Å
509L94.2Very high86.9Confident104 Ų10487 Ų8755%0.54545%0.452SS..Hα-helixtrans-58.5-35.4175-80165.6000113.1R505 S513R505-L509 WeakPolarHBondContact O-CB 3.38Å; R505-L509 WeakPolarHBondContact O-CG 3.47Å; R505-L509 PolarHBondContact O-N 3.12Å; L509-S513 WeakPolarHBondContact O-CB 3.21Å; L509-S513 PolarHBondContact O-N 3.18Å; L509-S513 VanDerWaalsContact O-N 3.11Å; L509-S513 PolarHBondContact O-OG 3.14Å
510K91.2Very high86.8Confident137 Ų13788.2 Ų88.260%0.59646%0.461SS*.Hα-helixtrans-73.5-26.6175.2-86.6-171.6171.9-176.40113.4L506 V507 L508 S513 R514L506-K510 WeakPolarHBondContact O-CB 3.34Å; L506-K510 PolarHBondContact O-N 3.34Å; V507-K510 PolarHBondContact O-N 3.29Å; L508-K510 VanDerWaalsContact C-N 3.26Å; L508-K510 PolarHBondContact O-N 3.35Å; K510-S513 WeakPolarHBondContact CA-OG 3.4Å; K510-S513 PolarHBondContact O-OG 3.47Å; K510-R514 VanDerWaalsContact O-CD 3.28Å; K510-R514 WeakPolarHBondContact O-CD 3.36Å; K510-R514 WeakPolarHBondContact O-CG 3.47Å; K510-R514 PolarHBondContact O-N 3.42Å
511E91.5Very high86.6Confident4 Ų490.7 Ų90.72%0.01947%0.47CS..Hα-helixtrans-86.7-37.9177.8-144.767.8-130.700111.8Y475 R479 V487 A490 V507 L508 R514 S515Y475-E511 PolarHBondContact OH-OE2 2.67Å; R479-E511 IonicContact CZ-OE1 3.53Å; R479-E511 IonicContact CZ-OE2 3.66Å; R479-E511 IonicContact NE-OE1 3.74Å; R479-E511 PolarHBondContact NE-OE1 3.43Å; R479-E511 IonicContact NE-OE2 2.78Å; R479-E511 PolarHBondContact NE-OE2 3.13Å; R479-E511 IonicContact NH2-OE1 3.24Å; R479-E511 PolarHBondContact NH2-OE1 3.49Å; R479-E511 IonicContact NH2-OE2 2.68Å; R479-E511 PolarHBondContact NH2-OE2 3.24Å; V487-E511 HydrophobicContact CG2-CB 4.25Å; V487-E511 HydrophobicContact CG2-CG 4.41Å; A490-E511 HydrophobicContact CB-CB 4.32Å; A490-E511 HydrophobicContact CB-CG 4.45Å; V507-E511 PolarHBondContact O-N 3.19Å; L508-E511 PolarHBondContact O-N 3Å; E511-R514 PolarHBondContact O-N 3.18Å; E511-S515 WeakPolarHBondContact O-CB 3.43Å; E511-S515 PolarHBondContact O-N 2.93Å; E511-S515 PolarHBondContact O-OG 3.19Å
512E92.5Very high86.2Confident94 Ų9490.1 Ų90.144%0.43946%0.46SS..Hα-helixtrans-60.7-44.5171.6-72.4165.5-178.800111.3V487 L508 R514 S515 A516V487-E512 HydrophobicContact CG1-CG 4.33Å; V487-E512 HydrophobicContact CG2-CG 4.11Å; L508-E512 WeakPolarHBondContact O-CB 3.33Å; L508-E512 VanDerWaalsContact O-CG 3.3Å; L508-E512 WeakPolarHBondContact O-CG 3.34Å; L508-E512 PolarHBondContact O-N 2.96Å; E512-R514 PolarHBondContact O-N 3.38Å; E512-S515 WeakPolarHBondContact CA-OG 3.11Å; E512-S515 PolarHBondContact O-N 3.34Å; E512-S515 PolarHBondContact O-OG 3.35Å; E512-A516 VanDerWaalsContact O-CB 3.28Å; E512-A516 WeakPolarHBondContact O-CB 3.36Å; E512-A516 PolarHBondContact O-N 3.49Å
513S89.9Confident86Confident72 Ų7290.8 Ų90.850%0.50346%0.455SS..Hα-helixtrans-68.5-32.4176.749.80000113.6L509 K510 T517L509-S513 WeakPolarHBondContact O-CB 3.21Å; L509-S513 PolarHBondContact O-N 3.18Å; L509-S513 VanDerWaalsContact O-N 3.11Å; L509-S513 PolarHBondContact O-OG 3.14Å; K510-S513 WeakPolarHBondContact CA-OG 3.4Å; K510-S513 PolarHBondContact O-OG 3.47Å; S513-T517 PolarHBondContact O-OG1 3.47Å; S513-T517 VanDerWaalsContact O-OG1 3.07Å
514R87Confident85.7Confident132 Ų13290.3 Ų90.350%0.49845%0.454SS..Hα-helixtrans-67.7-52.2171.5-76.6169.5175.8-112-7111.6K510 E511 E512 A516 T517 T518K510-R514 VanDerWaalsContact O-CD 3.28Å; K510-R514 WeakPolarHBondContact O-CD 3.36Å; K510-R514 WeakPolarHBondContact O-CG 3.47Å; K510-R514 PolarHBondContact O-N 3.42Å; E511-R514 PolarHBondContact O-N 3.18Å; E512-R514 PolarHBondContact O-N 3.38Å; R514-A516 PolarHBondContact O-N 3.49Å; R514-T517 WeakPolarHBondContact O-CB 3.5Å; R514-T517 PolarHBondContact O-N 2.96Å; R514-T518 PolarHBondContact O-OG1 3.06Å
515S85.3Confident85.2Confident17 Ų1794.1 Ų94.112%0.11947%0.471CS..Hα-helixtrans-68.7-16-178.153.10000113.9G483 E511 E512 T517 W519G483-S515 WeakPolarHBondContact O-CB 3.43Å; E511-S515 WeakPolarHBondContact O-CB 3.43Å; E511-S515 PolarHBondContact O-N 2.93Å; E511-S515 PolarHBondContact O-OG 3.19Å; E512-S515 WeakPolarHBondContact CA-OG 3.11Å; E512-S515 PolarHBondContact O-N 3.34Å; E512-S515 PolarHBondContact O-OG 3.35Å; S515-T517 VanDerWaalsContact C-N 3.34Å; S515-W519 PolarHBondContact O-NE1 3.48Å
516A81.2Confident84.6Confident74 Ų7488.3 Ų88.361%0.61246%0.457SS*.THydrogen-bonded Turntrans-78.7-10.416900000114.5E512 R514E512-A516 VanDerWaalsContact O-CB 3.28Å; E512-A516 WeakPolarHBondContact O-CB 3.36Å; E512-A516 PolarHBondContact O-N 3.49Å; R514-A516 PolarHBondContact O-N 3.49Å
517T74.2Confident83.9Confident118 Ų11886.5 Ų86.572%0.72445%0.448SS*.SBendtrans-97.2-8.6-178.7-48.40000112.5S513 R514 S515S513-T517 PolarHBondContact O-OG1 3.47Å; S513-T517 VanDerWaalsContact O-OG1 3.07Å; R514-T517 WeakPolarHBondContact O-CB 3.5Å; R514-T517 PolarHBondContact O-N 2.96Å; S515-T517 VanDerWaalsContact C-N 3.34Å
518T63.3Low83.4Confident100 Ų10090.6 Ų90.661%0.61347%0.466SS*.  trans-106.417.4-172.1-8.50000114.4R514R514-T518 PolarHBondContact O-OG1 3.06Å
519W55.7Low82.3Confident212 Ų21296.7 Ų96.780%0.80350%0.497SS*.  trans-122.20173.2-60.182.2000109.8R484 S515R484-W519 HydrophobicContact CG-CZ2 4.43Å; S515-W519 PolarHBondContact O-NE1 3.48Å

Retrieved 519 of 519 residues in 2867.9 ms (Link to these results)

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