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Acyl-coenzyme A oxidase

Involved in the initial and rate-limiting step of peroxisomal beta-oxidation of straight-chain saturated and unsaturated very-long-chain fatty acids. Catalyzes the desaturation of fatty acyl-CoAs such as palmitoyl-CoA (hexadecanoyl-CoA) to 2-trans-enoyl-CoAs ((2E)-enoyl-CoAs) such as (2E)-hexadecenoyl-CoA, and donates electrons directly to molecular oxygen (O(2)), thereby producing hydrogen peroxide (H(2)O(2)).

AlphaFold DB , UniProt , Accession G7NGR4, Species MACMU (Macaca mulatta, Rhesus macaque), Gene ACOX1, Length 660 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
1M93.6Very high97.6Very high84 Ų8466.6 Ų66.641%0.41433%0.325SS..  0126.50177.2167.962.600108.1R6 R9 D625M1-R6 HydrophobicContact CE-CB 3.7Å; M1-R6 HydrophobicContact CE-CG 3.69Å; M1-R6 HydrophobicContact SD-CB 4.34Å; M1-R9 PolarHBondContact SD-NH1 2.89Å; M1-D625 CarbonylContact C-O 3.55Å; M1-D625 WeakPolarHBondContact CA-O 3.43Å
2N97.8Very high97.6Very high24 Ų2463.4 Ų63.413%0.12832%0.317CS..  trans-54.3133.2173.8-177.7-42.6000110.7D4 L5 R6 D625 G626 N627N2-D4 PolarHBondContact O-N 3.25Å; N2-D4 WeakPolarHBondContact OD1-CB 3.49Å; N2-D4 PolarHBondContact OD1-N 3.18Å; N2-D4 PolarHBondContact OD1-OD2 3.08Å; N2-L5 PolarHBondContact O-N 3.34Å; N2-R6 PolarHBondContact O-N 3.48Å; N2-R6 VanDerWaalsContact O-N 3.14Å; N2-D625 WeakPolarHBondContact CB-O 3.29Å; N2-D625 PolarHBondContact N-O 3.06Å; N2-G626 WeakPolarHBondContact CB-O 3.47Å; N2-G626 PolarHBondContact ND2-O 3.24Å; N2-G626 VanDerWaalsContact ND2-O 3.12Å; N2-N627 PolarHBondContact N-OD1 2.91Å
3P98.2Very high97.6Very high92 Ų9264.2 Ų64.260%0.59733%0.332SS*.Hα-helixtrans-55.3-32.7177.9-2635000114.7R6 R7P3-R6 WeakPolarHBondContact O-CB 3.3Å; P3-R6 PolarHBondContact O-N 3.47Å; P3-R7 PolarHBondContact O-N 3.08Å
4D98.3Very high97.7Very high28 Ų2860.6 Ų60.615%0.1531%0.313CS..Hα-helixtrans-70.1-50.5-178.4-60.6-39.1000110.7N2 R6 R7 E8 A305 H308N2-D4 PolarHBondContact O-N 3.25Å; N2-D4 WeakPolarHBondContact OD1-CB 3.49Å; N2-D4 PolarHBondContact OD1-N 3.18Å; N2-D4 PolarHBondContact OD1-OD2 3.08Å; D4-R6 PolarHBondContact O-N 2.97Å; D4-R7 WeakPolarHBondContact O-CB 3.22Å; D4-R7 PolarHBondContact O-N 2.94Å; D4-R7 IonicContact OD1-NH2 3.52Å; D4-E8 WeakPolarHBondContact O-CG 3.33Å; D4-E8 PolarHBondContact O-N 3.03Å; D4-A305 WeakPolarHBondContact CB-O 3.44Å; D4-H308 IonicContact OD1-NE2 3.98Å; D4-H308 IonicContact OD2-CD2 2.76Å; D4-H308 IonicContact OD2-NE2 2.91Å; D4-H308 PolarHBondContact OD2-NE2 3Å
5L98.3Very high97.7Very high0 Ų062.3 Ų62.30%032%0.323CS..Hα-helixtrans-61.6-32174-75.5-167.3000113.1N2 R9 A305 V306 V604 G626N2-L5 PolarHBondContact O-N 3.34Å; L5-R9 WeakPolarHBondContact O-CD 3.3Å; L5-R9 VanDerWaalsContact O-CG 3.28Å; L5-R9 WeakPolarHBondContact O-CG 3.26Å; L5-R9 PolarHBondContact O-N 3.1Å; L5-R9 VanDerWaalsContact O-N 3.09Å; L5-A305 HydrophobicContact CD2-CB 3.75Å; L5-V306 HydrophobicContact CD1-CG2 4.23Å; L5-V306 HydrophobicContact CD2-CG2 4.21Å; L5-V306 HydrophobicContact CG-CG2 3.82Å; L5-V604 HydrophobicContact CD2-CG1 4.1Å; L5-V604 HydrophobicContact CD2-CG2 4.07Å; L5-G626 VanDerWaalsContact CD1-CA 3.47Å
6R98.5Very high97.7Very high126 Ų12660.8 Ų60.848%0.47532%0.318SS..Hα-helixtrans-60.1-50.3172.7-174.2-179.1-66.6-87.83.1110.5M1 N2 P3 D4 E8 R9 D10M1-R6 HydrophobicContact CE-CB 3.7Å; M1-R6 HydrophobicContact CE-CG 3.69Å; M1-R6 HydrophobicContact SD-CB 4.34Å; N2-R6 PolarHBondContact O-N 3.48Å; N2-R6 VanDerWaalsContact O-N 3.14Å; P3-R6 WeakPolarHBondContact O-CB 3.3Å; P3-R6 PolarHBondContact O-N 3.47Å; D4-R6 PolarHBondContact O-N 2.97Å; R6-E8 VanDerWaalsContact C-N 3.31Å; R6-E8 PolarHBondContact O-N 3.19Å; R6-R9 PolarHBondContact O-N 2.83Å; R6-R9 VanDerWaalsContact O-N 3.13Å; R6-D10 WeakPolarHBondContact CG-OD2 3.34Å; R6-D10 VanDerWaalsContact O-CG 3.22Å; R6-D10 PolarHBondContact O-N 2.91Å
7R98.3Very high97.8Very high158 Ų15860.6 Ų60.660%0.59632%0.315SS*.Hα-helixtrans-58.3-42.8179.6-167.9-170.2-45.1-162.310.3112.2P3 D4 R9 D10 S11P3-R7 PolarHBondContact O-N 3.08Å; D4-R7 WeakPolarHBondContact O-CB 3.22Å; D4-R7 PolarHBondContact O-N 2.94Å; D4-R7 IonicContact OD1-NH2 3.52Å; R7-R9 VanDerWaalsContact C-N 3.32Å; R7-R9 PolarHBondContact O-N 3.2Å; R7-D10 PolarHBondContact O-N 3.34Å; R7-S11 PolarHBondContact O-N 2.71Å; R7-S11 PolarHBondContact O-OG 3.15Å
8E98.5Very high97.8Very high8 Ų860.8 Ų60.84%0.03732%0.316CS..Hα-helixtrans-65.6-32.8177.7-62.8-63166.800113.5D4 R6 S11 A305 Q320 R600 V604D4-E8 WeakPolarHBondContact O-CG 3.33Å; D4-E8 PolarHBondContact O-N 3.03Å; R6-E8 VanDerWaalsContact C-N 3.31Å; R6-E8 PolarHBondContact O-N 3.19Å; E8-S11 WeakPolarHBondContact CA-OG 3.41Å; E8-S11 PolarHBondContact O-OG 2.97Å; E8-A305 HydrophobicContact CG-CB 3.96Å; E8-Q320 PolarHBondContact OE1-NE2 2.97Å; E8-Q320 PolarHBondContact OE1-OE1 2.67Å; E8-R600 IonicContact OE1-CZ 2.61Å; E8-R600 IonicContact OE1-NH1 3.06Å; E8-R600 PolarHBondContact OE1-NH1 2.99Å; E8-R600 VanDerWaalsContact OE1-NH1 3.07Å; E8-R600 IonicContact OE1-NH2 3.58Å; E8-R600 PolarHBondContact OE1-NH2 3.04Å; E8-R600 IonicContact OE2-CZ 3.32Å; E8-R600 IonicContact OE2-NH1 3.26Å; E8-R600 PolarHBondContact OE2-NH1 3.2Å; E8-R600 IonicContact OE2-NH2 2.74Å; E8-V604 HydrophobicContact CB-CB 3.77Å; E8-V604 HydrophobicContact CB-CG1 4.27Å; E8-V604 HydrophobicContact CB-CG2 3.51Å; E8-V604 HydrophobicContact CG-CG2 3.85Å
9R98.4Very high97.8Very high35 Ų3557.6 Ų57.613%0.13230%0.299CS..Hα-helixtrans-75.2-40.9175.6-73.9168.1172.1147.18.1111.6M1 L5 R6 R7 S11 A12 V604 D608 Y624M1-R9 PolarHBondContact SD-NH1 2.89Å; L5-R9 WeakPolarHBondContact O-CD 3.3Å; L5-R9 VanDerWaalsContact O-CG 3.28Å; L5-R9 WeakPolarHBondContact O-CG 3.26Å; L5-R9 PolarHBondContact O-N 3.1Å; L5-R9 VanDerWaalsContact O-N 3.09Å; R6-R9 PolarHBondContact O-N 2.83Å; R6-R9 VanDerWaalsContact O-N 3.13Å; R7-R9 VanDerWaalsContact C-N 3.32Å; R7-R9 PolarHBondContact O-N 3.2Å; R9-S11 PolarHBondContact O-N 2.84Å; R9-A12 VanDerWaalsContact O-CB 3.29Å; R9-A12 WeakPolarHBondContact O-CB 3.46Å; R9-A12 PolarHBondContact O-N 3.39Å; R9-V604 HydrophobicContact CG-CG1 4.02Å; R9-D608 IonicContact CZ-OD2 3.54Å; R9-D608 VanDerWaalsContact CZ-OD2 3.27Å; R9-D608 IonicContact NE-OD2 2.62Å; R9-D608 PolarHBondContact NE-OD2 3.5Å; R9-D608 IonicContact NH2-OD1 2.68Å; R9-D608 PolarHBondContact NH2-OD1 3.15Å; R9-D608 IonicContact NH2-OD2 3.25Å; R9-D608 PolarHBondContact NH2-OD2 3.07Å; R9-Y624 VanDerWaalsContact CZ-CZ 3.42Å; R9-Y624 VanDerWaalsContact CZ-O 3.27Å; R9-Y624 PolarHBondContact NH1-O 2.99Å; R9-Y624 PolarHBondContact NH2-O 3.07Å
10D98.1Very high97.8Very high125 Ų12554.9 Ų54.967%0.66829%0.286SS*.Hα-helixtrans-68.4-22.2178.7-64.8-18.4000111.8R6 R7 A12R6-D10 WeakPolarHBondContact CG-OD2 3.34Å; R6-D10 VanDerWaalsContact O-CG 3.22Å; R6-D10 PolarHBondContact O-N 2.91Å; R7-D10 PolarHBondContact O-N 3.34Å; D10-A12 VanDerWaalsContact C-N 3.34Å
11S95.8Very high97.8Very high53 Ų5354 Ų5437%0.37128%0.28SS..THydrogen-bonded Turntrans-82.7-4.3175.461.90000115.1R7 E8 R9 S13 S601R7-S11 PolarHBondContact O-N 2.71Å; R7-S11 PolarHBondContact O-OG 3.15Å; E8-S11 WeakPolarHBondContact CA-OG 3.41Å; E8-S11 PolarHBondContact O-OG 2.97Å; R9-S11 PolarHBondContact O-N 2.84Å; S11-S13 PolarHBondContact O-N 2.87Å; S11-S601 PolarHBondContact OG-O 2.98Å
12A97.7Very high98Very high28 Ų2852 Ų5223%0.23127%0.271CS..  trans-64.3133-175.900000111.9R9 D10 F14 D602 A605R9-A12 VanDerWaalsContact O-CB 3.29Å; R9-A12 WeakPolarHBondContact O-CB 3.46Å; R9-A12 PolarHBondContact O-N 3.39Å; D10-A12 VanDerWaalsContact C-N 3.34Å; A12-F14 VanDerWaalsContact C-N 3.28Å; A12-F14 PolarHBondContact O-N 3.15Å; A12-D602 WeakPolarHBondContact CA-OD1 3.36Å; A12-A605 HydrophobicContact CB-CB 3.5Å
13S98.1Very high97.8Very high74 Ų7453 Ų5352%0.51728%0.275SS..SBendtrans-81.9-6.7179.171.50000113.5S11 D602S11-S13 PolarHBondContact O-N 2.87Å; S13-D602 PolarHBondContact N-OD1 3.31Å; S13-D602 VanDerWaalsContact OG-CG 3.26Å; S13-D602 PolarHBondContact OG-OD1 3.02Å; S13-D602 VanDerWaalsContact OG-OD1 3.05Å; S13-D602 PolarHBondContact OG-OD2 3.06Å
14F98.4Very high97.6Very high14 Ų1450.1 Ų50.16%0.06126%0.255CS..SBendtrans-141.4163.1-175.872.3-80.1000111.6A12 P16 L19 A550 I551 V554 D602 A605 L606A12-F14 VanDerWaalsContact C-N 3.28Å; A12-F14 PolarHBondContact O-N 3.15Å; F14-P16 HydrophobicContact CE2-CB 4.19Å; F14-P16 WeakPolarHBondContact O-CD 3.44Å; F14-L19 HydrophobicContact CE2-CB 4.24Å; F14-L19 HydrophobicContact CE2-CD2 3.79Å; F14-L19 HydrophobicContact CZ-CD2 4.29Å; F14-A550 HydrophobicContact CB-CB 3.89Å; F14-I551 HydrophobicContact CB-CD1 3.96Å; F14-I551 HydrophobicContact CD2-CD1 3.4Å; F14-I551 VanDerWaalsContact CD2-CD1 3.4Å; F14-I551 HydrophobicContact CE2-CD1 4.28Å; F14-I551 HydrophobicContact CG-CD1 4.06Å; F14-V554 HydrophobicContact CD1-CB 4.16Å; F14-V554 HydrophobicContact CD1-CG1 3.91Å; F14-V554 HydrophobicContact CD1-CG2 4.15Å; F14-V554 HydrophobicContact CD2-CG1 4.42Å; F14-V554 HydrophobicContact CE1-CB 4.43Å; F14-V554 HydrophobicContact CE1-CG1 4.13Å; F14-V554 HydrophobicContact CE1-CG2 4Å; F14-V554 HydrophobicContact CG-CG1 4.07Å; F14-V554 HydrophobicContact CZ-CG1 4.44Å; F14-D602 HydrophobicContact CD1-CB 4.47Å; F14-D602 HydrophobicContact CE1-CB 3.93Å; F14-A605 HydrophobicContact CE1-CB 3.93Å; F14-A605 HydrophobicContact CZ-CB 3.81Å; F14-L606 HydrophobicContact CE1-CD2 4.06Å; F14-L606 HydrophobicContact CE1-CG 3.97Å; F14-L606 HydrophobicContact CE2-CD2 4.45Å; F14-L606 HydrophobicContact CZ-CB 4.44Å; F14-L606 HydrophobicContact CZ-CD2 3.64Å; F14-L606 HydrophobicContact CZ-CG 3.77Å
15N98.1Very high97.4Very high86 Ų8651.7 Ų51.746%0.4628%0.278SS..  trans-87112.5173.8-178.6-0.1000110.9E17 L18N15-E17 PolarHBondContact O-N 3.37Å; N15-E17 VanDerWaalsContact OD1-CB 3.3Å; N15-E17 WeakPolarHBondContact OD1-CB 3.29Å; N15-E17 PolarHBondContact OD1-N 3.47Å; N15-L18 HydrophobicContact CB-CD1 4.22Å; N15-L18 HydrophobicContact CB-CG 4.19Å; N15-L18 PolarHBondContact O-N 2.93Å
16P98Very high97.3Very high38 Ų3853.3 Ų53.325%0.24729%0.289CS..Hα-helixtrans-63-22.6-178.726.1-35.1000114.1F14 L18 L19 T20 A605 A609F14-P16 HydrophobicContact CE2-CB 4.19Å; F14-P16 WeakPolarHBondContact O-CD 3.44Å; P16-L18 VanDerWaalsContact C-N 3.35Å; P16-L18 PolarHBondContact O-N 2.88Å; P16-L19 PolarHBondContact O-N 3.01Å; P16-T20 PolarHBondContact O-N 2.75Å; P16-T20 PolarHBondContact O-OG1 2.85Å; P16-A605 WeakPolarHBondContact CB-O 3.34Å; P16-A609 HydrophobicContact CB-CB 3.97Å
17E98.3Very high97.2Very high58 Ų5851.1 Ų51.127%0.27129%0.291SS..Hα-helixtrans-64-40.1176.8-171.863.9-167.300111.6N15 L19 T20 H21 R34N15-E17 PolarHBondContact O-N 3.37Å; N15-E17 VanDerWaalsContact OD1-CB 3.3Å; N15-E17 WeakPolarHBondContact OD1-CB 3.29Å; N15-E17 PolarHBondContact OD1-N 3.47Å; E17-L19 VanDerWaalsContact C-N 3.29Å; E17-L19 PolarHBondContact O-N 3.42Å; E17-T20 VanDerWaalsContact O-CB 3.31Å; E17-T20 WeakPolarHBondContact O-CB 3.47Å; E17-T20 PolarHBondContact O-N 3.11Å; E17-T20 VanDerWaalsContact O-N 3.16Å; E17-H21 PolarHBondContact O-N 3.09Å; E17-H21 VanDerWaalsContact O-N 3.08Å; E17-H21 PolarHBondContact O-ND1 3.23Å; E17-H21 IonicContact OE1-CE1 2.67Å; E17-H21 PolarHBondContact OE1-CE1 3.15Å; E17-H21 VanDerWaalsContact OE1-CE1 3.24Å; E17-H21 IonicContact OE1-NE2 3.89Å; E17-R34 VanDerWaalsContact CD-NH1 3.3Å; E17-R34 IonicContact OE1-CZ 3.43Å; E17-R34 IonicContact OE1-NH1 3.46Å; E17-R34 PolarHBondContact OE1-NH1 3.33Å; E17-R34 IonicContact OE1-NH2 3.9Å; E17-R34 IonicContact OE2-CZ 3.97Å; E17-R34 IonicContact OE2-NH1 3.72Å; E17-R34 PolarHBondContact OE2-NH1 2.78Å; E17-R34 VanDerWaalsContact OE2-NH1 3.15Å; E17-R34 IonicContact OE2-NH2 3.29Å; E17-R34 PolarHBondContact OE2-NH2 2.81Å
18L97.9Very high97.2Very high63 Ų6348.2 Ų48.233%0.3329%0.285SS..Hα-helixtrans-65.1-36177-62.6-179.6000111.7N15 P16 H21 I22 I551N15-L18 HydrophobicContact CB-CD1 4.22Å; N15-L18 HydrophobicContact CB-CG 4.19Å; N15-L18 PolarHBondContact O-N 2.93Å; P16-L18 VanDerWaalsContact C-N 3.35Å; P16-L18 PolarHBondContact O-N 2.88Å; L18-H21 PolarHBondContact O-N 3.39Å; L18-I22 WeakPolarHBondContact O-CG1 3.22Å; L18-I22 PolarHBondContact O-N 3.47Å; L18-I551 HydrophobicContact CB-CD1 4.06Å; L18-I551 HydrophobicContact CB-CG1 4.14Å
19L97.9Very high97.1Very high0 Ų050.8 Ų50.80%030%0.298CS..Hα-helixtrans-69-37.2175.2-172.648.9000111.4F14 P16 E17 H21 I22 L23 Y339 I551 L555 L606 A609F14-L19 HydrophobicContact CE2-CB 4.24Å; F14-L19 HydrophobicContact CE2-CD2 3.79Å; F14-L19 HydrophobicContact CZ-CD2 4.29Å; P16-L19 PolarHBondContact O-N 3.01Å; E17-L19 VanDerWaalsContact C-N 3.29Å; E17-L19 PolarHBondContact O-N 3.42Å; L19-H21 VanDerWaalsContact C-N 3.31Å; L19-H21 PolarHBondContact O-N 3.34Å; L19-I22 HydrophobicContact CD1-CB 4.46Å; L19-I22 HydrophobicContact CD1-CD1 4.45Å; L19-I22 WeakPolarHBondContact O-CB 3.48Å; L19-I22 PolarHBondContact O-N 3.18Å; L19-I22 VanDerWaalsContact O-N 3.12Å; L19-L23 WeakPolarHBondContact O-CG 3.44Å; L19-L23 PolarHBondContact O-N 3.25Å; L19-Y339 HydrophobicContact CD1-CE1 4.02Å; L19-Y339 HydrophobicContact CD2-CE1 3.77Å; L19-Y339 WeakPolarHBondContact CD2-OH 3.44Å; L19-Y339 HydrophobicContact CG-CE1 4.02Å; L19-I551 HydrophobicContact CB-CD1 4.04Å; L19-I551 HydrophobicContact CD1-CG2 4.03Å; L19-L555 HydrophobicContact CD1-CD1 4.04Å; L19-L555 HydrophobicContact CD1-CD2 4.13Å; L19-L555 HydrophobicContact CD1-CG 4.36Å; L19-L606 HydrophobicContact CD2-CD2 3.9Å; L19-A609 HydrophobicContact CB-CB 3.8Å; L19-A609 HydrophobicContact CD2-CB 3.8Å; L19-A609 HydrophobicContact CG-CB 3.82Å
20T98.4Very high97Very high4 Ų449.1 Ų49.13%0.02529%0.292CS..Hα-helixtrans-57.7-45.3173.7-530000110.8P16 E17 I22 L23 D24 T30 A609 D611P16-T20 PolarHBondContact O-N 2.75Å; P16-T20 PolarHBondContact O-OG1 2.85Å; E17-T20 VanDerWaalsContact O-CB 3.31Å; E17-T20 WeakPolarHBondContact O-CB 3.47Å; E17-T20 PolarHBondContact O-N 3.11Å; E17-T20 VanDerWaalsContact O-N 3.16Å; T20-I22 VanDerWaalsContact C-N 3.29Å; T20-I22 PolarHBondContact O-N 2.86Å; T20-L23 PolarHBondContact O-N 3.49Å; T20-L23 VanDerWaalsContact O-N 3.1Å; T20-D24 PolarHBondContact O-N 3.47Å; T20-T30 HydrophobicContact CG2-CG2 3.69Å; T20-A609 PolarHBondContact OG1-O 3.36Å; T20-A609 VanDerWaalsContact OG1-O 3.08Å; T20-D611 HydrophobicContact CG2-CB 3.73Å
21H97.7Very high97Very high37 Ų3748.9 Ų48.917%0.17128%0.282CS..Hα-helixtrans-60.1-36.9175.8-59.1-21000113.1E17 L18 L19 L23 G25 S26 P27 T30E17-H21 PolarHBondContact O-N 3.09Å; E17-H21 VanDerWaalsContact O-N 3.08Å; E17-H21 PolarHBondContact O-ND1 3.23Å; E17-H21 IonicContact OE1-CE1 2.67Å; E17-H21 PolarHBondContact OE1-CE1 3.15Å; E17-H21 VanDerWaalsContact OE1-CE1 3.24Å; E17-H21 IonicContact OE1-NE2 3.89Å; L18-H21 PolarHBondContact O-N 3.39Å; L19-H21 VanDerWaalsContact C-N 3.31Å; L19-H21 PolarHBondContact O-N 3.34Å; H21-L23 VanDerWaalsContact C-N 3.35Å; H21-G25 CarbonylContact O-C 3.5Å; H21-G25 VanDerWaalsContact O-C 3.27Å; H21-G25 WeakPolarHBondContact O-CA 3.36Å; H21-G25 PolarHBondContact O-N 2.98Å; H21-S26 PolarHBondContact O-N 2.99Å; H21-P27 HydrophobicContact CB-CG 4.12Å; H21-T30 WeakPolarHBondContact CA-OG1 3.39Å; H21-T30 WeakPolarHBondContact ND1-CB 3.32Å; H21-T30 PolarHBondContact ND1-OG1 2.92Å; H21-T30 VanDerWaalsContact ND1-OG1 3.09Å
22I96.6Very high97Very high42 Ų4249 Ų4922%0.21527%0.274CS..Hα-helixtrans-67.7-37.6176.8-69.7158.4000111.1L18 L19 T20 G25 F343 I546 I551L18-I22 WeakPolarHBondContact O-CG1 3.22Å; L18-I22 PolarHBondContact O-N 3.47Å; L19-I22 HydrophobicContact CD1-CB 4.46Å; L19-I22 HydrophobicContact CD1-CD1 4.45Å; L19-I22 WeakPolarHBondContact O-CB 3.48Å; L19-I22 PolarHBondContact O-N 3.18Å; L19-I22 VanDerWaalsContact O-N 3.12Å; T20-I22 VanDerWaalsContact C-N 3.29Å; T20-I22 PolarHBondContact O-N 2.86Å; I22-G25 PolarHBondContact O-N 2.96Å; I22-F343 HydrophobicContact CG2-CE1 4.31Å; I22-I546 HydrophobicContact CD1-CD1 4.07Å; I22-I546 HydrophobicContact CD1-CG2 4.38Å; I22-I546 HydrophobicContact CG2-CD1 4.05Å; I22-I551 HydrophobicContact CD1-CG2 3.65Å
23L95.3Very high96.9Very high43 Ų4348.5 Ų48.523%0.22527%0.266CS..Hα-helixtrans-71.5-39.9178.8-66.5176.6000112.2L19 T20 H21 G25 Y339 Q342 F343 A609 F610L19-L23 WeakPolarHBondContact O-CG 3.44Å; L19-L23 PolarHBondContact O-N 3.25Å; T20-L23 PolarHBondContact O-N 3.49Å; T20-L23 VanDerWaalsContact O-N 3.1Å; H21-L23 VanDerWaalsContact C-N 3.35Å; L23-G25 PolarHBondContact O-N 3.08Å; L23-Y339 HydrophobicContact CD1-CE1 4.12Å; L23-Y339 HydrophobicContact CD2-CD1 4.17Å; L23-Y339 HydrophobicContact CD2-CE1 4.06Å; L23-Y339 HydrophobicContact CG-CE1 4.48Å; L23-Q342 HydrophobicContact CD2-CB 4.14Å; L23-Q342 HydrophobicContact CD2-CG 4.19Å; L23-F343 HydrophobicContact CD2-CE1 4.32Å; L23-A609 WeakPolarHBondContact CD1-O 3.43Å; L23-F610 HydrophobicContact CD1-CD1 3.76Å; L23-F610 HydrophobicContact CD1-CE1 4.18Å
24D94.3Very high96.8Very high33 Ų3347.9 Ų47.918%0.17625%0.253CS..Hα-helixtrans-78.3-10.7174.5-68.6-41.2000113.1T20 S26 N29 T30 R33T20-D24 PolarHBondContact O-N 3.47Å; D24-S26 VanDerWaalsContact C-N 3.3Å; D24-S26 PolarHBondContact O-N 3.22Å; D24-N29 HydrophobicContact CB-CB 3.96Å; D24-N29 VanDerWaalsContact O-CB 3.3Å; D24-N29 WeakPolarHBondContact O-CB 3.4Å; D24-N29 PolarHBondContact O-ND2 3.07Å; D24-T30 WeakPolarHBondContact CB-OG1 3.16Å; D24-T30 WeakPolarHBondContact OD2-CA 3.31Å; D24-T30 VanDerWaalsContact OD2-CB 3.28Å; D24-T30 WeakPolarHBondContact OD2-CB 3.18Å; D24-T30 PolarHBondContact OD2-OG1 3.07Å; D24-R33 IonicContact OD1-CZ 2.75Å; D24-R33 IonicContact OD1-NE 3.54Å; D24-R33 PolarHBondContact OD1-NE 3.39Å; D24-R33 IonicContact OD1-NH2 3.9Å; D24-R33 IonicContact OD2-CZ 3.94Å; D24-R33 IonicContact OD2-NE 3.48Å; D24-R33 PolarHBondContact OD2-NE 2.91Å; D24-R33 IonicContact OD2-NH2 2.83Å; D24-R33 PolarHBondContact OD2-NH2 2.71Å
25G93.4Very high96.7Very high61 Ų6150.2 Ų50.263%0.62926%0.264SS*.SBendtrans88.3-20-179.500000114.6H21 I22 L23H21-G25 CarbonylContact O-C 3.5Å; H21-G25 VanDerWaalsContact O-C 3.27Å; H21-G25 WeakPolarHBondContact O-CA 3.36Å; H21-G25 PolarHBondContact O-N 2.98Å; I22-G25 PolarHBondContact O-N 2.96Å; L23-G25 PolarHBondContact O-N 3.08Å
26S95.6Very high96.4Very high33 Ų3346.1 Ų46.123%0.23124%0.242CC..SBendtrans-161.4160.7171.573.40000112.4H21 D24 E28 N29 T30H21-S26 PolarHBondContact O-N 2.99Å; D24-S26 VanDerWaalsContact C-N 3.3Å; D24-S26 PolarHBondContact O-N 3.22Å; S26-E28 PolarHBondContact O-N 3.08Å; S26-E28 PolarHBondContact OG-N 2.72Å; S26-N29 PolarHBondContact O-N 2.66Å; S26-N29 WeakPolarHBondContact OG-CB 3.35Å; S26-N29 VanDerWaalsContact OG-CG 3.24Å; S26-N29 PolarHBondContact OG-N 3.4Å; S26-N29 PolarHBondContact OG-OD1 3.45Å; S26-T30 PolarHBondContact O-N 3.33Å; S26-T30 VanDerWaalsContact O-N 3.13Å; S26-T30 PolarHBondContact O-OG1 2.59Å
27P97.3Very high96.1Very high80 Ų8045.3 Ų45.352%0.51924%0.235SC..Hα-helixtrans-59-34.4171.3-22.732.9000113.6H21 T30 R31H21-P27 HydrophobicContact CB-CG 4.12Å; P27-T30 PolarHBondContact O-N 3.32Å; P27-R31 PolarHBondContact O-N 3.25Å
28E97.6Very high95.8Very high98 Ų9846.2 Ų46.246%0.45824%0.241SC..Hα-helixtrans-67.8-40.6178.4179.658.8-168.900111.6S26 R31 R32S26-E28 PolarHBondContact O-N 3.08Å; S26-E28 PolarHBondContact OG-N 2.72Å; E28-R31 VanDerWaalsContact CD-NH2 3.28Å; E28-R31 PolarHBondContact O-N 3.36Å; E28-R31 IonicContact OE1-CZ 3.7Å; E28-R31 IonicContact OE1-NE 2.63Å; E28-R31 IonicContact OE1-NH2 4Å; E28-R31 PolarHBondContact OE1-NH2 3.06Å; E28-R31 IonicContact OE2-CZ 2.68Å; E28-R31 IonicContact OE2-NE 3.83Å; E28-R31 PolarHBondContact OE2-NE 3.47Å; E28-R31 IonicContact OE2-NH2 2.69Å; E28-R31 PolarHBondContact OE2-NH2 2.92Å; E28-R31 VanDerWaalsContact OE2-NH2 3.15Å; E28-R32 WeakPolarHBondContact O-CB 3.47Å; E28-R32 PolarHBondContact O-N 2.86Å
29N96.4Very high95.4Very high61 Ų6146.2 Ų46.233%0.32624%0.241SC..Hα-helixtrans-64.1-41.1174.3-71.3-4.7000111.4D24 S26 R32 R33 W87D24-N29 HydrophobicContact CB-CB 3.96Å; D24-N29 VanDerWaalsContact O-CB 3.3Å; D24-N29 WeakPolarHBondContact O-CB 3.4Å; D24-N29 PolarHBondContact O-ND2 3.07Å; S26-N29 PolarHBondContact O-N 2.66Å; S26-N29 WeakPolarHBondContact OG-CB 3.35Å; S26-N29 VanDerWaalsContact OG-CG 3.24Å; S26-N29 PolarHBondContact OG-N 3.4Å; S26-N29 PolarHBondContact OG-OD1 3.45Å; N29-R32 PolarHBondContact O-N 3.45Å; N29-R33 VanDerWaalsContact O-CB 3.27Å; N29-R33 WeakPolarHBondContact O-CB 3.28Å; N29-R33 PolarHBondContact O-N 2.84Å; N29-W87 HydrophobicContact CB-CH2 3.97Å; N29-W87 HydrophobicContact CB-CZ2 4.17Å
30T97.2Very high95Very high1 Ų146.5 Ų46.51%0.00624%0.242CC..Hα-helixtrans-59.3-49.1174.3-60.20000111.4T20 H21 D24 S26 P27 R32 R33 R34T20-T30 HydrophobicContact CG2-CG2 3.69Å; H21-T30 WeakPolarHBondContact CA-OG1 3.39Å; H21-T30 WeakPolarHBondContact ND1-CB 3.32Å; H21-T30 PolarHBondContact ND1-OG1 2.92Å; H21-T30 VanDerWaalsContact ND1-OG1 3.09Å; D24-T30 WeakPolarHBondContact CB-OG1 3.16Å; D24-T30 WeakPolarHBondContact OD2-CA 3.31Å; D24-T30 VanDerWaalsContact OD2-CB 3.28Å; D24-T30 WeakPolarHBondContact OD2-CB 3.18Å; D24-T30 PolarHBondContact OD2-OG1 3.07Å; S26-T30 PolarHBondContact O-N 3.33Å; S26-T30 VanDerWaalsContact O-N 3.13Å; S26-T30 PolarHBondContact O-OG1 2.59Å; P27-T30 PolarHBondContact O-N 3.32Å; T30-R32 PolarHBondContact O-N 2.86Å; T30-R33 PolarHBondContact O-N 3.44Å; T30-R34 WeakPolarHBondContact O-CB 3.43Å; T30-R34 WeakPolarHBondContact O-CG 3.18Å; T30-R34 PolarHBondContact O-N 2.93Å
31R97.9Very high94.5Very high120 Ų12048.9 Ų48.945%0.45325%0.254SS..Hα-helixtrans-57.1-50.6177.5-175.6-175.971.594.7-6.1110.8P27 E28 R34 E35P27-R31 PolarHBondContact O-N 3.25Å; E28-R31 VanDerWaalsContact CD-NH2 3.28Å; E28-R31 PolarHBondContact O-N 3.36Å; E28-R31 IonicContact OE1-CZ 3.7Å; E28-R31 IonicContact OE1-NE 2.63Å; E28-R31 IonicContact OE1-NH2 4Å; E28-R31 PolarHBondContact OE1-NH2 3.06Å; E28-R31 IonicContact OE2-CZ 2.68Å; E28-R31 IonicContact OE2-NE 3.83Å; E28-R31 PolarHBondContact OE2-NE 3.47Å; E28-R31 IonicContact OE2-NH2 2.69Å; E28-R31 PolarHBondContact OE2-NH2 2.92Å; E28-R31 VanDerWaalsContact OE2-NH2 3.15Å; R31-R34 PolarHBondContact O-N 2.94Å; R31-E35 IonicContact CZ-OE1 3.39Å; R31-E35 IonicContact NE-OE1 2.81Å; R31-E35 IonicContact NH1-OE1 3.07Å; R31-E35 PolarHBondContact NH1-OE1 2.92Å; R31-E35 IonicContact NH1-OE2 3.93Å; R31-E35 WeakPolarHBondContact O-CG 3.47Å; R31-E35 PolarHBondContact O-N 2.83Å
32R95.8Very high94.1Very high54 Ų5453 Ų5320%0.20428%0.278CS..Hα-helixtrans-65.1-41.7-177.3-175.256.9177.5158.45.7112.7E28 N29 T30 E35 I36 E84 W87E28-R32 WeakPolarHBondContact O-CB 3.47Å; E28-R32 PolarHBondContact O-N 2.86Å; N29-R32 PolarHBondContact O-N 3.45Å; T30-R32 PolarHBondContact O-N 2.86Å; R32-E35 IonicContact NH1-OE2 2.68Å; R32-E35 PolarHBondContact NH1-OE2 2.8Å; R32-E35 WeakPolarHBondContact O-CB 3.38Å; R32-E35 PolarHBondContact O-N 2.94Å; R32-I36 HydrophobicContact CG-CD1 4.21Å; R32-I36 PolarHBondContact O-N 2.8Å; R32-I36 VanDerWaalsContact O-N 3.09Å; R32-E84 HydrophobicContact CG-CG 4.41Å; R32-E84 IonicContact CZ-OE1 3.26Å; R32-E84 IonicContact CZ-OE2 2.82Å; R32-E84 VanDerWaalsContact NE-CD 3.29Å; R32-E84 IonicContact NE-OE1 2.86Å; R32-E84 PolarHBondContact NE-OE1 3.39Å; R32-E84 IonicContact NE-OE2 2.82Å; R32-E84 IonicContact NH2-OE1 3.16Å; R32-E84 PolarHBondContact NH2-OE1 3.23Å; R32-E84 IonicContact NH2-OE2 2.97Å; R32-E84 PolarHBondContact NH2-OE2 3.12Å; R32-W87 HydrophobicContact CB-CZ3 4.02Å; R32-W87 HydrophobicContact CG-CE3 4.38Å; R32-W87 HydrophobicContact CG-CZ3 3.75Å
33R95.5Very high93.8Very high18 Ų1852 Ų527%0.06827%0.273CS..Hα-helixtrans-58.7-50.2173.9178.4177.457.165.95.1110.8D24 N29 T30 E35 I36 E37 W87 D611D24-R33 IonicContact OD1-CZ 2.75Å; D24-R33 IonicContact OD1-NE 3.54Å; D24-R33 PolarHBondContact OD1-NE 3.39Å; D24-R33 IonicContact OD1-NH2 3.9Å; D24-R33 IonicContact OD2-CZ 3.94Å; D24-R33 IonicContact OD2-NE 3.48Å; D24-R33 PolarHBondContact OD2-NE 2.91Å; D24-R33 IonicContact OD2-NH2 2.83Å; D24-R33 PolarHBondContact OD2-NH2 2.71Å; N29-R33 VanDerWaalsContact O-CB 3.27Å; N29-R33 WeakPolarHBondContact O-CB 3.28Å; N29-R33 PolarHBondContact O-N 2.84Å; T30-R33 PolarHBondContact O-N 3.44Å; R33-E35 VanDerWaalsContact C-N 3.33Å; R33-E35 PolarHBondContact O-N 2.76Å; R33-I36 PolarHBondContact O-N 2.83Å; R33-E37 HydrophobicContact CG-CG 4.37Å; R33-E37 VanDerWaalsContact CG-OE1 3.32Å; R33-E37 WeakPolarHBondContact CG-OE1 3.23Å; R33-E37 IonicContact CZ-OE1 3.18Å; R33-E37 IonicContact NH1-OE1 2.7Å; R33-E37 PolarHBondContact NH1-OE1 2.72Å; R33-E37 IonicContact NH1-OE2 3.25Å; R33-E37 WeakPolarHBondContact O-CB 3.4Å; R33-E37 WeakPolarHBondContact O-CG 3.4Å; R33-E37 PolarHBondContact O-N 3.25Å; R33-W87 HydrophobicContact CB-CD2 3.84Å; R33-W87 HydrophobicContact CB-CE3 4.1Å; R33-W87 HydrophobicContact CB-CG 4.14Å; R33-W87 HydrophobicContact CB-CZ2 4.44Å; R33-W87 HydrophobicContact CG-CB 4.27Å; R33-W87 HydrophobicContact CG-CD2 4.11Å; R33-W87 HydrophobicContact CG-CG 3.86Å; R33-D611 IonicContact CZ-OD2 2.91Å; R33-D611 VanDerWaalsContact CZ-OD2 3.26Å; R33-D611 IonicContact NH1-OD2 3.44Å; R33-D611 PolarHBondContact NH1-OD2 2.91Å; R33-D611 IonicContact NH2-OD2 3.73Å; R33-D611 PolarHBondContact NH2-OD2 2.61Å
34R95.9Very high93.6Very high62 Ų6254.2 Ų54.223%0.23429%0.29CS..Hα-helixtrans-62.5-36.3178.7-74.7177.4173.4163.6-1.5112.9E17 T30 R31 E37 N38 D611E17-R34 VanDerWaalsContact CD-NH1 3.3Å; E17-R34 IonicContact OE1-CZ 3.43Å; E17-R34 IonicContact OE1-NH1 3.46Å; E17-R34 PolarHBondContact OE1-NH1 3.33Å; E17-R34 IonicContact OE1-NH2 3.9Å; E17-R34 IonicContact OE2-CZ 3.97Å; E17-R34 IonicContact OE2-NH1 3.72Å; E17-R34 PolarHBondContact OE2-NH1 2.78Å; E17-R34 VanDerWaalsContact OE2-NH1 3.15Å; E17-R34 IonicContact OE2-NH2 3.29Å; E17-R34 PolarHBondContact OE2-NH2 2.81Å; T30-R34 WeakPolarHBondContact O-CB 3.43Å; T30-R34 WeakPolarHBondContact O-CG 3.18Å; T30-R34 PolarHBondContact O-N 2.93Å; R31-R34 PolarHBondContact O-N 2.94Å; R34-E37 PolarHBondContact O-N 2.97Å; R34-N38 WeakPolarHBondContact O-CB 3.24Å; R34-N38 VanDerWaalsContact O-CG 3.27Å; R34-N38 PolarHBondContact O-N 2.91Å; R34-N38 PolarHBondContact O-ND2 3.25Å; R34-D611 IonicContact CZ-OD1 3.45Å; R34-D611 IonicContact CZ-OD2 2.82Å; R34-D611 IonicContact NE-OD1 3.15Å; R34-D611 PolarHBondContact NE-OD1 2.95Å; R34-D611 IonicContact NE-OD2 2.64Å; R34-D611 PolarHBondContact NE-OD2 3.48Å; R34-D611 VanDerWaalsContact NH2-CG 3.3Å; R34-D611 IonicContact NH2-OD1 3.55Å; R34-D611 PolarHBondContact NH2-OD1 3.34Å; R34-D611 IonicContact NH2-OD2 3.15Å; R34-D611 PolarHBondContact NH2-OD2 3.22Å
35E94.9Very high93.4Very high63 Ų6356 Ų5629%0.29430%0.299SS..Hα-helixtrans-59.8-50.2173-76.9171.6-169.600111.6R31 R32 R33 E37 N38 M39R31-E35 IonicContact CZ-OE1 3.39Å; R31-E35 IonicContact NE-OE1 2.81Å; R31-E35 IonicContact NH1-OE1 3.07Å; R31-E35 PolarHBondContact NH1-OE1 2.92Å; R31-E35 IonicContact NH1-OE2 3.93Å; R31-E35 WeakPolarHBondContact O-CG 3.47Å; R31-E35 PolarHBondContact O-N 2.83Å; R32-E35 IonicContact NH1-OE2 2.68Å; R32-E35 PolarHBondContact NH1-OE2 2.8Å; R32-E35 WeakPolarHBondContact O-CB 3.38Å; R32-E35 PolarHBondContact O-N 2.94Å; R33-E35 VanDerWaalsContact C-N 3.33Å; R33-E35 PolarHBondContact O-N 2.76Å; E35-E37 VanDerWaalsContact C-N 3.33Å; E35-E37 PolarHBondContact O-N 3.01Å; E35-N38 PolarHBondContact O-N 2.95Å; E35-M39 HydrophobicContact CB-CE 4.5Å; E35-M39 WeakPolarHBondContact O-CG 3.15Å; E35-M39 PolarHBondContact O-N 3.21Å
36I92.4Very high93.1Very high0 Ų053.5 Ų53.50%027%0.271CS..Hα-helixtrans-62.6-41.8177.8-73.1162.4000110.9R32 R33 N38 M39 I40 E84 W87 F88R32-I36 HydrophobicContact CG-CD1 4.21Å; R32-I36 PolarHBondContact O-N 2.8Å; R32-I36 VanDerWaalsContact O-N 3.09Å; R33-I36 PolarHBondContact O-N 2.83Å; I36-N38 PolarHBondContact O-N 3.28Å; I36-M39 WeakPolarHBondContact O-CB 3.26Å; I36-M39 PolarHBondContact O-N 3.28Å; I36-I40 HydrophobicContact CG2-CD1 4.47Å; I36-I40 PolarHBondContact O-N 3.27Å; I36-E84 HydrophobicContact CD1-CB 3.71Å; I36-E84 HydrophobicContact CD1-CG 3.76Å; I36-W87 HydrophobicContact CD1-CE3 3.9Å; I36-W87 HydrophobicContact CG2-CB 4.32Å; I36-F88 HydrophobicContact CG2-CB 3.8Å; I36-F88 HydrophobicContact CG2-CD2 3.79Å; I36-F88 HydrophobicContact CG2-CG 4.19Å
37E91.5Very high92.7Very high20 Ų2057.8 Ų57.89%0.09329%0.288CS..Hα-helixtrans-58.7-48.3175.7-75.7178.9-166.900111.1R33 R34 E35 M39 I40 L41 L91 Q613R33-E37 HydrophobicContact CG-CG 4.37Å; R33-E37 VanDerWaalsContact CG-OE1 3.32Å; R33-E37 WeakPolarHBondContact CG-OE1 3.23Å; R33-E37 IonicContact CZ-OE1 3.18Å; R33-E37 IonicContact NH1-OE1 2.7Å; R33-E37 PolarHBondContact NH1-OE1 2.72Å; R33-E37 IonicContact NH1-OE2 3.25Å; R33-E37 WeakPolarHBondContact O-CB 3.4Å; R33-E37 WeakPolarHBondContact O-CG 3.4Å; R33-E37 PolarHBondContact O-N 3.25Å; R34-E37 PolarHBondContact O-N 2.97Å; E35-E37 VanDerWaalsContact C-N 3.33Å; E35-E37 PolarHBondContact O-N 3.01Å; E37-M39 VanDerWaalsContact C-N 3.3Å; E37-M39 PolarHBondContact O-N 2.96Å; E37-I40 PolarHBondContact O-N 2.6Å; E37-L41 WeakPolarHBondContact O-CG 3.37Å; E37-L41 PolarHBondContact O-N 2.81Å; E37-L91 VanDerWaalsContact CA-CD2 3.4Å; E37-L91 HydrophobicContact CB-CD2 3.6Å; E37-L91 HydrophobicContact CG-CD2 3.82Å; E37-L91 WeakPolarHBondContact O-CD2 3.34Å; E37-Q613 WeakPolarHBondContact OE2-CG 3.49Å; E37-Q613 PolarHBondContact OE2-NE2 3.44Å
38N91.8Very high92.3Very high77 Ų7756.8 Ų56.841%0.41228%0.276SS..Hα-helixtrans-64.4-30.4178.7-76.5-40.1000113.6R34 E35 I36 I40 N42R34-N38 WeakPolarHBondContact O-CB 3.24Å; R34-N38 VanDerWaalsContact O-CG 3.27Å; R34-N38 PolarHBondContact O-N 2.91Å; R34-N38 PolarHBondContact O-ND2 3.25Å; E35-N38 PolarHBondContact O-N 2.95Å; I36-N38 PolarHBondContact O-N 3.28Å; N38-I40 PolarHBondContact O-N 2.85Å; N38-N42 WeakPolarHBondContact O-CB 3.42Å; N38-N42 PolarHBondContact O-N 2.9Å; N38-N42 PolarHBondContact O-ND2 2.85Å
39M89.8Confident91.9Very high63 Ų6356.6 Ų56.631%0.3128%0.275SS..Hα-helixtrans-61.3-33.7172.6-68.9171.6-166.300111.7E35 I36 E37 D43 F77E35-M39 HydrophobicContact CB-CE 4.5Å; E35-M39 WeakPolarHBondContact O-CG 3.15Å; E35-M39 PolarHBondContact O-N 3.21Å; I36-M39 WeakPolarHBondContact O-CB 3.26Å; I36-M39 PolarHBondContact O-N 3.28Å; E37-M39 VanDerWaalsContact C-N 3.3Å; E37-M39 PolarHBondContact O-N 2.96Å; M39-D43 VanDerWaalsContact O-CB 3.29Å; M39-D43 WeakPolarHBondContact O-CB 3.35Å; M39-F77 HydrophobicContact CB-CE2 4.45Å; M39-F77 HydrophobicContact SD-CD2 4.26Å; M39-F77 HydrophobicContact SD-CE2 4.46Å; M39-F77 HydrophobicContact SD-CG 4.5Å
40I88.9Confident91.7Very high7 Ų756.3 Ų56.34%0.03627%0.273CS..Hα-helixtrans-84.7-42.9-179.2-60.9163000110.6I36 E37 N38 N42 D43 F46 F88 L91 H92I36-I40 HydrophobicContact CG2-CD1 4.47Å; I36-I40 PolarHBondContact O-N 3.27Å; E37-I40 PolarHBondContact O-N 2.6Å; N38-I40 PolarHBondContact O-N 2.85Å; I40-N42 VanDerWaalsContact C-N 3.29Å; I40-N42 PolarHBondContact O-N 3.23Å; I40-D43 PolarHBondContact O-N 2.95Å; I40-F46 HydrophobicContact CB-CD2 4.38Å; I40-F46 HydrophobicContact CG1-CE2 4.46Å; I40-F46 HydrophobicContact CG2-CB 4.03Å; I40-F46 HydrophobicContact CG2-CD2 3.88Å; I40-F46 HydrophobicContact CG2-CE2 4.49Å; I40-F46 HydrophobicContact CG2-CG 3.9Å; I40-F88 HydrophobicContact CD1-CB 4.42Å; I40-F88 HydrophobicContact CD1-CD1 3.84Å; I40-F88 HydrophobicContact CD1-CD2 3.99Å; I40-F88 HydrophobicContact CD1-CE1 3.98Å; I40-F88 HydrophobicContact CD1-CE2 4.13Å; I40-F88 HydrophobicContact CD1-CG 3.84Å; I40-F88 HydrophobicContact CD1-CZ 4.12Å; I40-F88 WeakPolarHBondContact CD1-O 3.21Å; I40-F88 HydrophobicContact CG1-CD1 4.41Å; I40-F88 HydrophobicContact CG1-CD2 4.26Å; I40-F88 HydrophobicContact CG1-CE1 4.05Å; I40-F88 HydrophobicContact CG1-CE2 3.9Å; I40-F88 HydrophobicContact CG1-CZ 3.79Å; I40-L91 HydrophobicContact CB-CD2 3.96Å; I40-L91 HydrophobicContact CD1-CB 3.91Å; I40-L91 HydrophobicContact CD1-CD2 4.32Å; I40-L91 HydrophobicContact CG2-CD2 4.21Å; I40-L91 HydrophobicContact CG2-CG 4.33Å; I40-H92 HydrophobicContact CG2-CB 4.41Å
41L88.8Confident91.5Very high53 Ų5357 Ų5728%0.27728%0.277SS..Hα-helixtrans-59.3-40.1-178.6-69177.2000112.7E37 L91 Q613 V615E37-L41 WeakPolarHBondContact O-CG 3.37Å; E37-L41 PolarHBondContact O-N 2.81Å; L41-L91 HydrophobicContact CD2-CD2 4Å; L41-L91 HydrophobicContact CG-CD2 3.9Å; L41-Q613 HydrophobicContact CD1-CG 4.17Å; L41-V615 HydrophobicContact CD2-CB 4.33Å; L41-V615 HydrophobicContact CD2-CG1 3.37Å
42N88.8Confident91.4Very high125 Ų12552.7 Ų52.767%0.66826%0.263SS*.THydrogen-bonded Turntrans-89.2-2.9-174.8-63.7-51.1000113.3N38 I40 P44N38-N42 WeakPolarHBondContact O-CB 3.42Å; N38-N42 PolarHBondContact O-N 2.9Å; N38-N42 PolarHBondContact O-ND2 2.85Å; I40-N42 VanDerWaalsContact C-N 3.29Å; I40-N42 PolarHBondContact O-N 3.23Å; N42-P44 WeakPolarHBondContact O-CD 3.37Å
43D90.5Very high91.4Very high19 Ų1951.4 Ų51.410%0.10226%0.259CS..  trans-95.5112.2-178.2-175.1-12.7000110.3M39 I40 D45 F46 K73M39-D43 VanDerWaalsContact O-CB 3.29Å; M39-D43 WeakPolarHBondContact O-CB 3.35Å; I40-D43 PolarHBondContact O-N 2.95Å; D43-D45 PolarHBondContact O-N 2.95Å; D43-D45 VanDerWaalsContact O-N 3.09Å; D43-D45 WeakPolarHBondContact OD1-CB 3.09Å; D43-D45 PolarHBondContact OD1-N 3.38Å; D43-F46 HydrophobicContact CB-CD2 3.94Å; D43-F46 HydrophobicContact CB-CE2 4.47Å; D43-F46 PolarHBondContact O-N 3.14Å; D43-K73 IonicContact OD1-NZ 3.25Å; D43-K73 WeakPolarHBondContact OD2-CD 3.11Å; D43-K73 VanDerWaalsContact OD2-CE 3.26Å; D43-K73 WeakPolarHBondContact OD2-CE 3.43Å; D43-K73 IonicContact OD2-NZ 3.49Å; D43-K73 PolarHBondContact OD2-NZ 3Å
44P91Very high91.4Very high91 Ų9151.5 Ų51.559%0.59126%0.26SS*.G310 helixtrans-57.9-24.4-180-23.634.7000113.4N42 F46 Q47N42-P44 WeakPolarHBondContact O-CD 3.37Å; P44-F46 PolarHBondContact O-N 3.28Å; P44-Q47 PolarHBondContact O-N 2.76Å
45D89.8Confident91.5Very high69 Ų6952.4 Ų52.437%0.36927%0.273SS..G310 helixtrans-60.3-27.6178-69.5-28.5000111.6D43 R65 I69 K73D43-D45 PolarHBondContact O-N 2.95Å; D43-D45 VanDerWaalsContact O-N 3.09Å; D43-D45 WeakPolarHBondContact OD1-CB 3.09Å; D43-D45 PolarHBondContact OD1-N 3.38Å; D45-R65 PolarHBondContact O-NH1 3.45Å; D45-I69 HydrophobicContact CB-CD1 4.15Å; D45-I69 HydrophobicContact CB-CG2 3.79Å; D45-I69 WeakPolarHBondContact O-CD1 3.44Å; D45-K73 VanDerWaalsContact OD2-CE 3.3Å; D45-K73 WeakPolarHBondContact OD2-CE 3.33Å; D45-K73 IonicContact OD2-NZ 2.65Å; D45-K73 PolarHBondContact OD2-NZ 3.07Å
46F87.8Confident91.6Very high9 Ų952.8 Ų52.84%0.03927%0.272CS..G310 helixtrans-93.7-2.2177.8-66-69.3000114.5I40 D43 P44 K66 I69 M70 K73 F88 H92I40-F46 HydrophobicContact CB-CD2 4.38Å; I40-F46 HydrophobicContact CG1-CE2 4.46Å; I40-F46 HydrophobicContact CG2-CB 4.03Å; I40-F46 HydrophobicContact CG2-CD2 3.88Å; I40-F46 HydrophobicContact CG2-CE2 4.49Å; I40-F46 HydrophobicContact CG2-CG 3.9Å; D43-F46 HydrophobicContact CB-CD2 3.94Å; D43-F46 HydrophobicContact CB-CE2 4.47Å; D43-F46 PolarHBondContact O-N 3.14Å; P44-F46 PolarHBondContact O-N 3.28Å; F46-K66 HydrophobicContact CD1-CB 4.44Å; F46-K66 HydrophobicContact CD1-CG 4.49Å; F46-K66 WeakPolarHBondContact O-CE 3.44Å; F46-K66 PolarHBondContact O-NZ 2.79Å; F46-I69 HydrophobicContact CD1-CG2 4.31Å; F46-I69 HydrophobicContact CE1-CB 4.11Å; F46-I69 HydrophobicContact CE1-CG2 3.69Å; F46-I69 HydrophobicContact CE2-CG2 4.03Å; F46-I69 HydrophobicContact CZ-CB 4.35Å; F46-I69 HydrophobicContact CZ-CG2 3.53Å; F46-M70 HydrophobicContact CE1-CB 4.24Å; F46-M70 HydrophobicContact CZ-CB 4.5Å; F46-K73 HydrophobicContact CE2-CG 4.13Å; F46-K73 HydrophobicContact CZ-CB 4.45Å; F46-K73 HydrophobicContact CZ-CG 4.12Å; F46-F88 HydrophobicContact CE1-CE1 4.45Å; F46-F88 HydrophobicContact CE2-CE1 4.42Å; F46-F88 HydrophobicContact CE2-CZ 4.07Å; F46-F88 AromaticContact CZ-CE1 3.81Å; F46-F88 HydrophobicContact CZ-CE1 3.81Å; F46-F88 AromaticContact CZ-CZ 3.84Å; F46-F88 HydrophobicContact CZ-CZ 3.84Å; F46-H92 HydrophobicContact CD1-CB 4.01Å; F46-H92 HydrophobicContact CE1-CB 3.94Å
47Q87.6Confident91.8Very high124 Ų12456.9 Ų56.958%0.57930%0.301SS*.  trans-77.6151.4174.6-62.4-176.9-0.600111.2P44 R65P44-Q47 PolarHBondContact O-N 2.76Å; Q47-R65 PolarHBondContact O-NH2 3.15Å
48H88.6Confident92.1Very high58 Ų5860 Ų6027%0.26932%0.315SS..  trans-162162.7179.25530.7000110.2V62 K66H48-V62 HydrophobicContact CB-CG1 4.01Å; H48-V62 WeakPolarHBondContact CD2-CG1 3.45Å; H48-K66 VanDerWaalsContact CD2-CD 3.46Å; H48-K66 WeakPolarHBondContact CD2-CD 3.49Å; H48-K66 PolarHBondContact CD2-NZ 3.36Å; H48-K66 VanDerWaalsContact CD2-NZ 3.32Å; H48-K66 PolarHBondContact NE2-NZ 2.82Å; H48-K66 VanDerWaalsContact NE2-NZ 3.1Å
49E89.9Confident92.2Very high95 Ų9557.8 Ų57.844%0.44430%0.301SS..SBendtrans-55.9154.2164.1-171.1171.4-17000110.8L51 F53 L54E49-L51 PolarHBondContact O-N 2.98Å; E49-F53 HydrophobicContact CG-CB 4.3Å; E49-L54 HydrophobicContact CB-CD2 4.23Å; E49-L54 HydrophobicContact CG-CD2 4.34Å; E49-L54 WeakPolarHBondContact OE2-CD2 3.41Å
50D92.2Very high92.5Very high55 Ų5557.3 Ų57.329%0.29430%0.296SS..  trans-55.3125.3173.6-172.4-32.3000109.4N52 F53 W635D50-N52 PolarHBondContact O-N 3.42Å; D50-N52 VanDerWaalsContact O-N 3.07Å; D50-N52 VanDerWaalsContact OD1-CB 3.29Å; D50-N52 WeakPolarHBondContact OD1-CB 3.05Å; D50-N52 PolarHBondContact OD1-N 3.03Å; D50-N52 PolarHBondContact OD1-ND2 2.72Å; D50-F53 HydrophobicContact CB-CD2 3.98Å; D50-F53 HydrophobicContact CB-CE2 4.23Å; D50-F53 HydrophobicContact CB-CG 4.33Å; D50-F53 PolarHBondContact O-N 3.37Å; D50-W635 PolarHBondContact OD2-NE1 2.75Å
51L92.5Very high92.9Very high15 Ų1563.1 Ų63.18%0.07932%0.323CS..G310 helixtrans-54.2-32.7-179.2-61.6178000111.3E49 F53 L54 R59 V62 V94 E234E49-L51 PolarHBondContact O-N 2.98Å; L51-F53 PolarHBondContact O-N 3.12Å; L51-F53 VanDerWaalsContact O-N 3.14Å; L51-L54 HydrophobicContact CD2-CD1 4.2Å; L51-L54 WeakPolarHBondContact O-CB 3.34Å; L51-L54 PolarHBondContact O-N 3.28Å; L51-R59 PolarHBondContact O-NE 3.16Å; L51-R59 PolarHBondContact O-NH2 3.23Å; L51-V62 HydrophobicContact CD2-CG1 4.11Å; L51-V94 HydrophobicContact CD1-CB 4.38Å; L51-E234 HydrophobicContact CD1-CG 4.44Å
52N95Very high93.1Very high30 Ų3061.7 Ų61.716%0.1632%0.316CS..G310 helixtrans-61-23.3178.6-62-60.9000113.8D50 H403 N409 W635D50-N52 PolarHBondContact O-N 3.42Å; D50-N52 VanDerWaalsContact O-N 3.07Å; D50-N52 VanDerWaalsContact OD1-CB 3.29Å; D50-N52 WeakPolarHBondContact OD1-CB 3.05Å; D50-N52 PolarHBondContact OD1-N 3.03Å; D50-N52 PolarHBondContact OD1-ND2 2.72Å; N52-H403 HydrophobicContact CB-CB 4.24Å; N52-H403 PolarHBondContact OD1-ND1 2.88Å; N52-N409 PolarHBondContact ND2-ND2 3.26Å; N52-N409 PolarHBondContact OD1-ND2 3.48Å; N52-N409 PolarHBondContact OD1-OD1 3.35Å; N52-W635 HydrophobicContact CB-CZ2 4.32Å
53F96.8Very high93.4Very high27 Ų2755.8 Ų55.812%0.11829%0.285CS..G310 helixtrans-93.2-5.4179.8-60.2-16.5000113.4E49 D50 L51 W635 N638 P640E49-F53 HydrophobicContact CG-CB 4.3Å; D50-F53 HydrophobicContact CB-CD2 3.98Å; D50-F53 HydrophobicContact CB-CE2 4.23Å; D50-F53 HydrophobicContact CB-CG 4.33Å; D50-F53 PolarHBondContact O-N 3.37Å; L51-F53 PolarHBondContact O-N 3.12Å; L51-F53 VanDerWaalsContact O-N 3.14Å; F53-W635 HydrophobicContact CD1-CZ2 4.42Å; F53-W635 HydrophobicContact CE1-CD2 4.24Å; F53-W635 AromaticContact CE1-CE2 3.6Å; F53-W635 AromaticContact CE1-CH2 3.83Å; F53-W635 HydrophobicContact CE1-CH2 3.83Å; F53-W635 AromaticContact CE1-CZ2 3.39Å; F53-W635 HydrophobicContact CE1-CZ2 3.39Å; F53-W635 HydrophobicContact CE1-CZ3 4.4Å; F53-W635 AromaticContact CZ-CD1 3.98Å; F53-W635 AromaticContact CZ-CD2 3.77Å; F53-W635 HydrophobicContact CZ-CD2 3.77Å; F53-W635 AromaticContact CZ-CE2 3.41Å; F53-W635 VanDerWaalsContact CZ-CE2 3.41Å; F53-W635 HydrophobicContact CZ-CE3 4.36Å; F53-W635 HydrophobicContact CZ-CG 4.15Å; F53-W635 HydrophobicContact CZ-CH2 4.35Å; F53-W635 AromaticContact CZ-CZ2 3.75Å; F53-W635 HydrophobicContact CZ-CZ2 3.75Å; F53-W635 AromaticContact CZ-NE1 3.53Å; F53-W635 WeakPolarHBondContact CZ-O 3.49Å; F53-N638 HydrophobicContact CE2-CB 4.06Å; F53-P640 HydrophobicContact CB-CG 3.72Å; F53-P640 VanDerWaalsContact CD1-CD 3.49Å; F53-P640 HydrophobicContact CD1-CG 4.31Å; F53-P640 HydrophobicContact CG-CG 4.17Å; F53-P640 WeakPolarHBondContact O-CG 3.42Å
54L96.1Very high93.5Very high19 Ų1957.4 Ų57.410%0.09930%0.296CS..SBendtrans-96.6145.4180-60.2-178.1000111.8E49 L51 Q58 R59 V62E49-L54 HydrophobicContact CB-CD2 4.23Å; E49-L54 HydrophobicContact CG-CD2 4.34Å; E49-L54 WeakPolarHBondContact OE2-CD2 3.41Å; L51-L54 HydrophobicContact CD2-CD1 4.2Å; L51-L54 WeakPolarHBondContact O-CB 3.34Å; L51-L54 PolarHBondContact O-N 3.28Å; L54-Q58 HydrophobicContact CB-CB 3.97Å; L54-Q58 HydrophobicContact CD1-CB 4.46Å; L54-Q58 HydrophobicContact CD2-CB 4.29Å; L54-Q58 HydrophobicContact CG-CB 4.48Å; L54-R59 HydrophobicContact CB-CG 3.76Å; L54-R59 PolarHBondContact O-NE 3.23Å; L54-V62 HydrophobicContact CD1-CG2 3.93Å
55T97.4Very high93.6Very high82 Ų8257.6 Ų57.650%0.50329%0.285SS..  trans-65.4159.4166.665.70000110.8S57 Q58 R59T55-S57 PolarHBondContact O-N 3.19Å; T55-Q58 PolarHBondContact O-N 3.4Å; T55-Q58 WeakPolarHBondContact OG1-CG 3.2Å; T55-Q58 PolarHBondContact OG1-N 3.42Å; T55-Q58 PolarHBondContact OG1-OE1 3.05Å; T55-R59 WeakPolarHBondContact O-CG 3.26Å; T55-R59 PolarHBondContact O-N 2.97Å
56R96.2Very high93.7Very high71 Ų7154.7 Ų54.727%0.26827%0.269SS..Hα-helixtrans-52.8-41.3177.7-176.5177.4176.5-124.2-5.6113.3R59 Y60 D225 G227 D233R56-R59 PolarHBondContact O-N 3.19Å; R56-Y60 PolarHBondContact O-N 3.01Å; R56-D225 IonicContact CZ-OD1 3.45Å; R56-D225 IonicContact CZ-OD2 2.82Å; R56-D225 VanDerWaalsContact CZ-OD2 3.27Å; R56-D225 IonicContact NH1-OD1 3.41Å; R56-D225 IonicContact NH1-OD2 2.86Å; R56-D225 PolarHBondContact NH1-OD2 2.82Å; R56-D225 IonicContact NH2-OD1 3.98Å; R56-D225 PolarHBondContact NH2-OD1 3.46Å; R56-D225 IonicContact NH2-OD2 3.26Å; R56-D225 PolarHBondContact NH2-OD2 2.88Å; R56-G227 PolarHBondContact NH2-O 2.91Å; R56-D233 HydrophobicContact CG-CB 4.15Å
57S97.4Very high93.7Very high86 Ų8654.3 Ų54.360%0.60127%0.267SS*.Hα-helixtrans-62.9-44.1178.4-169.70000111.8T55 Y60 E61T55-S57 PolarHBondContact O-N 3.19Å; S57-Y60 PolarHBondContact O-N 2.91Å; S57-E61 PolarHBondContact O-N 3.41Å
58Q96.9Very high93.8Very high85 Ų8551.3 Ų51.340%0.39726%0.263SS..Hα-helixtrans-67.7-37.9178.3-70.6165.8-47.300111.6L54 T55 E61 V62L54-Q58 HydrophobicContact CB-CB 3.97Å; L54-Q58 HydrophobicContact CD1-CB 4.46Å; L54-Q58 HydrophobicContact CD2-CB 4.29Å; L54-Q58 HydrophobicContact CG-CB 4.48Å; T55-Q58 PolarHBondContact O-N 3.4Å; T55-Q58 WeakPolarHBondContact OG1-CG 3.2Å; T55-Q58 PolarHBondContact OG1-N 3.42Å; T55-Q58 PolarHBondContact OG1-OE1 3.05Å; Q58-E61 PolarHBondContact O-N 2.8Å; Q58-V62 WeakPolarHBondContact O-CB 3.31Å; Q58-V62 VanDerWaalsContact O-CG2 3.32Å; Q58-V62 WeakPolarHBondContact O-CG2 3.33Å; Q58-V62 PolarHBondContact O-N 3.22Å
59R95.3Very high93.8Very high30 Ų3049.9 Ų49.911%0.11326%0.257CS..Hα-helixtrans-59.3-47.1173.6-70.8-174.7-172.9-161.37.8112L51 L54 T55 R56 V62 A63 D233 E234L51-R59 PolarHBondContact O-NE 3.16Å; L51-R59 PolarHBondContact O-NH2 3.23Å; L54-R59 HydrophobicContact CB-CG 3.76Å; L54-R59 PolarHBondContact O-NE 3.23Å; T55-R59 WeakPolarHBondContact O-CG 3.26Å; T55-R59 PolarHBondContact O-N 2.97Å; R56-R59 PolarHBondContact O-N 3.19Å; R59-V62 PolarHBondContact O-N 3.41Å; R59-A63 WeakPolarHBondContact O-CB 3.47Å; R59-A63 PolarHBondContact O-N 3.33Å; R59-D233 IonicContact NH1-OD2 3.27Å; R59-D233 PolarHBondContact NH1-OD2 3.24Å; R59-E234 HydrophobicContact CB-CG 4.16Å; R59-E234 WeakPolarHBondContact CD-OE1 3.3Å; R59-E234 IonicContact NH1-OE1 2.79Å
60Y96.1Very high93.8Very high53 Ų5345.3 Ų45.321%0.20824%0.236CC..Hα-helixtrans-59.9-46.5174.7172.1-107.8000111.9R56 S57 V62 A63 V64 P99 K182 T183 D236R56-Y60 PolarHBondContact O-N 3.01Å; S57-Y60 PolarHBondContact O-N 2.91Å; Y60-V62 PolarHBondContact O-N 3.49Å; Y60-A63 PolarHBondContact O-N 3.06Å; Y60-A63 VanDerWaalsContact O-N 3.17Å; Y60-V64 HydrophobicContact CD1-CG2 4.43Å; Y60-V64 HydrophobicContact CD2-CG2 4.13Å; Y60-V64 HydrophobicContact CE1-CG2 3.92Å; Y60-V64 HydrophobicContact CE2-CG2 3.57Å; Y60-V64 VanDerWaalsContact CZ-CG2 3.45Å; Y60-V64 WeakPolarHBondContact O-CG2 3.27Å; Y60-V64 PolarHBondContact O-N 2.77Å; Y60-P99 HydrophobicContact CD2-CG 3.97Å; Y60-P99 HydrophobicContact CE2-CB 4.07Å; Y60-P99 HydrophobicContact CE2-CG 3.76Å; Y60-K182 HydrophobicContact CE1-CB 4.18Å; Y60-K182 VanDerWaalsContact OH-CB 3.28Å; Y60-K182 WeakPolarHBondContact OH-CB 3.26Å; Y60-T183 WeakPolarHBondContact CE2-OG1 3.27Å; Y60-T183 PolarHBondContact OH-OG1 3.31Å; Y60-D236 HydrophobicContact CD2-CB 4.14Å; Y60-D236 HydrophobicContact CE2-CB 3.71Å
61E95.9Very high93.4Very high130 Ų13043.3 Ų43.361%0.60723%0.226SC*.Hα-helixtrans-59.6-46178.3-176.4-179.6166.900112.2S57 Q58 A63 V64 R65S57-E61 PolarHBondContact O-N 3.41Å; Q58-E61 PolarHBondContact O-N 2.8Å; E61-A63 VanDerWaalsContact C-N 3.31Å; E61-A63 PolarHBondContact O-N 3.48Å; E61-V64 PolarHBondContact O-N 2.75Å; E61-R65 WeakPolarHBondContact O-CB 3.39Å; E61-R65 PolarHBondContact O-N 2.73Å
62V94.3Very high93.3Very high22 Ų2248.7 Ų48.713%0.13325%0.248CC..Hα-helixtrans-59.7-43175.1167.70000110.9H48 L51 L54 Q58 R59 Y60 R65 K66H48-V62 HydrophobicContact CB-CG1 4.01Å; H48-V62 WeakPolarHBondContact CD2-CG1 3.45Å; L51-V62 HydrophobicContact CD2-CG1 4.11Å; L54-V62 HydrophobicContact CD1-CG2 3.93Å; Q58-V62 WeakPolarHBondContact O-CB 3.31Å; Q58-V62 VanDerWaalsContact O-CG2 3.32Å; Q58-V62 WeakPolarHBondContact O-CG2 3.33Å; Q58-V62 PolarHBondContact O-N 3.22Å; R59-V62 PolarHBondContact O-N 3.41Å; Y60-V62 PolarHBondContact O-N 3.49Å; V62-R65 PolarHBondContact O-N 3.47Å; V62-K66 HydrophobicContact CG1-CD 3.96Å; V62-K66 HydrophobicContact CG1-CG 4.48Å; V62-K66 WeakPolarHBondContact O-CB 3.24Å; V62-K66 WeakPolarHBondContact O-CG 3.39Å; V62-K66 PolarHBondContact O-N 2.76Å
63A93.4Very high93Very high1 Ų148.5 Ų48.51%0.00825%0.246CC..Hα-helixtrans-64-45.3178.500000112.2R59 Y60 E61 K66 S67 L93 P99 E234R59-A63 WeakPolarHBondContact O-CB 3.47Å; R59-A63 PolarHBondContact O-N 3.33Å; Y60-A63 PolarHBondContact O-N 3.06Å; Y60-A63 VanDerWaalsContact O-N 3.17Å; E61-A63 VanDerWaalsContact C-N 3.31Å; E61-A63 PolarHBondContact O-N 3.48Å; A63-K66 PolarHBondContact O-N 3Å; A63-S67 WeakPolarHBondContact O-CB 3.34Å; A63-S67 PolarHBondContact O-N 2.97Å; A63-S67 PolarHBondContact O-OG 3.36Å; A63-S67 VanDerWaalsContact O-OG 3.11Å; A63-L93 HydrophobicContact CB-CD1 4.16Å; A63-L93 HydrophobicContact CB-CD2 4.4Å; A63-P99 HydrophobicContact CB-CG 4.03Å; A63-E234 HydrophobicContact CB-CB 3.9Å; A63-E234 HydrophobicContact CB-CG 4.46Å
64V93.3Very high92.6Very high54 Ų5447.7 Ų47.733%0.32724%0.243SC..Hα-helixtrans-60.1-47.7175173.10000111.2Y60 E61 K66 S67 A68 P99Y60-V64 HydrophobicContact CD1-CG2 4.43Å; Y60-V64 HydrophobicContact CD2-CG2 4.13Å; Y60-V64 HydrophobicContact CE1-CG2 3.92Å; Y60-V64 HydrophobicContact CE2-CG2 3.57Å; Y60-V64 VanDerWaalsContact CZ-CG2 3.45Å; Y60-V64 WeakPolarHBondContact O-CG2 3.27Å; Y60-V64 PolarHBondContact O-N 2.77Å; E61-V64 PolarHBondContact O-N 2.75Å; V64-K66 PolarHBondContact O-N 3.17Å; V64-S67 PolarHBondContact O-N 2.78Å; V64-A68 PolarHBondContact O-N 3.14Å; V64-P99 HydrophobicContact CG2-CB 4.38Å; V64-P99 HydrophobicContact CG2-CG 3.93Å
65R93Very high92.2Very high95 Ų9554.2 Ų54.236%0.35827%0.266SS..Hα-helixtrans-56.5-49.4178.2-177.5-177.267.782.7-4110.9D45 Q47 E61 V62 A68 I69D45-R65 PolarHBondContact O-NH1 3.45Å; Q47-R65 PolarHBondContact O-NH2 3.15Å; E61-R65 WeakPolarHBondContact O-CB 3.39Å; E61-R65 PolarHBondContact O-N 2.73Å; V62-R65 PolarHBondContact O-N 3.47Å; R65-A68 PolarHBondContact O-N 3.16Å; R65-I69 HydrophobicContact CG-CD1 3.85Å; R65-I69 WeakPolarHBondContact O-CD1 3.23Å; R65-I69 VanDerWaalsContact O-CG1 3.31Å; R65-I69 WeakPolarHBondContact O-CG1 3.47Å; R65-I69 PolarHBondContact O-N 3.43Å
66K91.4Very high91.8Very high8 Ų855.7 Ų55.74%0.03527%0.267CS..Hα-helixtrans-68.3-37.6-178.8-69.4-177.173.9-179.50112.4F46 H48 V62 A63 V64 A68 I69 M70 H92 L93F46-K66 HydrophobicContact CD1-CB 4.44Å; F46-K66 HydrophobicContact CD1-CG 4.49Å; F46-K66 WeakPolarHBondContact O-CE 3.44Å; F46-K66 PolarHBondContact O-NZ 2.79Å; H48-K66 VanDerWaalsContact CD2-CD 3.46Å; H48-K66 WeakPolarHBondContact CD2-CD 3.49Å; H48-K66 PolarHBondContact CD2-NZ 3.36Å; H48-K66 VanDerWaalsContact CD2-NZ 3.32Å; H48-K66 PolarHBondContact NE2-NZ 2.82Å; H48-K66 VanDerWaalsContact NE2-NZ 3.1Å; V62-K66 HydrophobicContact CG1-CD 3.96Å; V62-K66 HydrophobicContact CG1-CG 4.48Å; V62-K66 WeakPolarHBondContact O-CB 3.24Å; V62-K66 WeakPolarHBondContact O-CG 3.39Å; V62-K66 PolarHBondContact O-N 2.76Å; A63-K66 PolarHBondContact O-N 3Å; V64-K66 PolarHBondContact O-N 3.17Å; K66-A68 VanDerWaalsContact C-N 3.33Å; K66-A68 PolarHBondContact O-N 3.07Å; K66-I69 PolarHBondContact O-N 3.16Å; K66-M70 VanDerWaalsContact O-CB 3.24Å; K66-M70 WeakPolarHBondContact O-CB 3.18Å; K66-M70 PolarHBondContact O-N 2.96Å; K66-H92 WeakPolarHBondContact CE-O 3.21Å; K66-H92 PolarHBondContact NZ-O 3.37Å; K66-L93 HydrophobicContact CB-CD2 4.17Å; K66-L93 HydrophobicContact CB-CG 4.45Å; K66-L93 HydrophobicContact CD-CD2 3.87Å
67S89.3Confident91.5Very high1 Ų156.6 Ų56.61%0.00727%0.274CS..Hα-helixtrans-64.3-35.8172.7-66.50000112.5A63 V64 M70 V71 E98A63-S67 WeakPolarHBondContact O-CB 3.34Å; A63-S67 PolarHBondContact O-N 2.97Å; A63-S67 PolarHBondContact O-OG 3.36Å; A63-S67 VanDerWaalsContact O-OG 3.11Å; V64-S67 PolarHBondContact O-N 2.78Å; S67-M70 WeakPolarHBondContact O-CB 3.44Å; S67-V71 PolarHBondContact O-N 3.31Å; S67-E98 PolarHBondContact OG-OE2 2.87Å
68A88Confident91Very high60 Ų6055.3 Ų55.350%0.49627%0.273SS..Hα-helixtrans-67.4-45174.800000112V64 R65 K66 M70 V71 K72V64-A68 PolarHBondContact O-N 3.14Å; R65-A68 PolarHBondContact O-N 3.16Å; K66-A68 VanDerWaalsContact C-N 3.33Å; K66-A68 PolarHBondContact O-N 3.07Å; A68-M70 VanDerWaalsContact C-N 3.34Å; A68-V71 PolarHBondContact O-N 2.76Å; A68-K72 PolarHBondContact O-N 3.09Å
69I90.4Very high90.6Very high28 Ų2851.8 Ų51.814%0.14426%0.257CS..Hα-helixtrans-61.6-44.4175.9-66.8160.2000110.4D45 F46 R65 K66 V71 K72 K73D45-I69 HydrophobicContact CB-CD1 4.15Å; D45-I69 HydrophobicContact CB-CG2 3.79Å; D45-I69 WeakPolarHBondContact O-CD1 3.44Å; F46-I69 HydrophobicContact CD1-CG2 4.31Å; F46-I69 HydrophobicContact CE1-CB 4.11Å; F46-I69 HydrophobicContact CE1-CG2 3.69Å; F46-I69 HydrophobicContact CE2-CG2 4.03Å; F46-I69 HydrophobicContact CZ-CB 4.35Å; F46-I69 HydrophobicContact CZ-CG2 3.53Å; R65-I69 HydrophobicContact CG-CD1 3.85Å; R65-I69 WeakPolarHBondContact O-CD1 3.23Å; R65-I69 VanDerWaalsContact O-CG1 3.31Å; R65-I69 WeakPolarHBondContact O-CG1 3.47Å; R65-I69 PolarHBondContact O-N 3.43Å; K66-I69 PolarHBondContact O-N 3.16Å; I69-V71 VanDerWaalsContact C-N 3.29Å; I69-V71 PolarHBondContact O-N 3.25Å; I69-K72 WeakPolarHBondContact O-CB 3.23Å; I69-K72 PolarHBondContact O-N 2.93Å; I69-K72 VanDerWaalsContact O-N 3.13Å; I69-K73 HydrophobicContact CG2-CG 3.93Å; I69-K73 WeakPolarHBondContact O-CB 3.48Å; I69-K73 VanDerWaalsContact O-CG 3.28Å; I69-K73 WeakPolarHBondContact O-CG 3.4Å; I69-K73 PolarHBondContact O-N 2.8Å
70M88.6Confident90Very high0 Ų054.1 Ų54.10%028%0.283CS..Hα-helixtrans-50.5-48.4176.3177.3-160.769.600111.6F46 K66 S67 A68 K73 M74 F88 K89 H92 V100 Y104F46-M70 HydrophobicContact CE1-CB 4.24Å; F46-M70 HydrophobicContact CZ-CB 4.5Å; K66-M70 VanDerWaalsContact O-CB 3.24Å; K66-M70 WeakPolarHBondContact O-CB 3.18Å; K66-M70 PolarHBondContact O-N 2.96Å; S67-M70 WeakPolarHBondContact O-CB 3.44Å; A68-M70 VanDerWaalsContact C-N 3.34Å; M70-K73 PolarHBondContact O-N 3.14Å; M70-M74 HydrophobicContact CE-CE 3.86Å; M70-M74 HydrophobicContact CG-CE 3.89Å; M70-M74 HydrophobicContact CG-CG 4.49Å; M70-M74 HydrophobicContact CG-SD 4.26Å; M70-M74 WeakPolarHBondContact O-CB 3.36Å; M70-M74 VanDerWaalsContact O-CG 3.3Å; M70-M74 WeakPolarHBondContact O-CG 2.88Å; M70-M74 PolarHBondContact O-N 3.47Å; M70-M74 HydrophobicContact SD-CE 4.23Å; M70-F88 HydrophobicContact CB-CE1 4.07Å; M70-F88 HydrophobicContact CG-CD1 3.59Å; M70-F88 HydrophobicContact CG-CE1 3.56Å; M70-K89 HydrophobicContact SD-CD 4.44Å; M70-K89 HydrophobicContact SD-CG 3.63Å; M70-H92 VanDerWaalsContact SD-CE1 3.53Å; M70-H92 PolarHBondContact SD-NE2 3.42Å; M70-H92 VanDerWaalsContact SD-NE2 3.42Å; M70-V100 HydrophobicContact CE-CG2 4.14Å; M70-Y104 HydrophobicContact CE-CE2 3.9Å
71V85.3Confident89.5Confident13 Ų1355.1 Ų55.18%0.07929%0.292CS..Hα-helixtrans-68.9-37.4-179.2173.70000113S67 A68 I69 M74 R75 Y104 L130S67-V71 PolarHBondContact O-N 3.31Å; A68-V71 PolarHBondContact O-N 2.76Å; I69-V71 VanDerWaalsContact C-N 3.29Å; I69-V71 PolarHBondContact O-N 3.25Å; V71-M74 HydrophobicContact CG2-CE 3.94Å; V71-R75 PolarHBondContact O-N 2.88Å; V71-Y104 WeakPolarHBondContact CG2-OH 3.33Å; V71-L130 HydrophobicContact CB-CD1 3.92Å; V71-L130 HydrophobicContact CB-CG 4.37Å; V71-L130 HydrophobicContact CG1-CD1 4.28Å; V71-L130 HydrophobicContact CG1-CG 4.2Å; V71-L130 HydrophobicContact CG2-CD1 3.21Å; V71-L130 HydrophobicContact CG2-CG 3.71Å
72K88.4Confident88.7Confident127 Ų12753.5 Ų53.555%0.55229%0.293SS*.Hα-helixtrans-60.5-50.9173.2-177.3-178.2170.9-173.70110.6A68 I69 R75 E76A68-K72 PolarHBondContact O-N 3.09Å; I69-K72 WeakPolarHBondContact O-CB 3.23Å; I69-K72 PolarHBondContact O-N 2.93Å; I69-K72 VanDerWaalsContact O-N 3.13Å; K72-R75 WeakPolarHBondContact O-CB 3.28Å; K72-R75 PolarHBondContact O-N 3.45Å; K72-E76 WeakPolarHBondContact CE-OE1 3.35Å; K72-E76 WeakPolarHBondContact CG-OE1 3.38Å; K72-E76 IonicContact NZ-OE1 3.48Å; K72-E76 WeakPolarHBondContact O-CG 3.43Å; K72-E76 PolarHBondContact O-N 2.8Å
73K90.4Very high88.1Confident26 Ų2655.6 Ų55.611%0.11330%0.303CS..Hα-helixtrans-66.6-42.7-177.6-64.3-78.1171.1149.70112.3D43 D45 F46 I69 M70 R75 E76 F77 F88D43-K73 IonicContact OD1-NZ 3.25Å; D43-K73 WeakPolarHBondContact OD2-CD 3.11Å; D43-K73 VanDerWaalsContact OD2-CE 3.26Å; D43-K73 WeakPolarHBondContact OD2-CE 3.43Å; D43-K73 IonicContact OD2-NZ 3.49Å; D43-K73 PolarHBondContact OD2-NZ 3Å; D45-K73 VanDerWaalsContact OD2-CE 3.3Å; D45-K73 WeakPolarHBondContact OD2-CE 3.33Å; D45-K73 IonicContact OD2-NZ 2.65Å; D45-K73 PolarHBondContact OD2-NZ 3.07Å; F46-K73 HydrophobicContact CE2-CG 4.13Å; F46-K73 HydrophobicContact CZ-CB 4.45Å; F46-K73 HydrophobicContact CZ-CG 4.12Å; I69-K73 HydrophobicContact CG2-CG 3.93Å; I69-K73 WeakPolarHBondContact O-CB 3.48Å; I69-K73 VanDerWaalsContact O-CG 3.28Å; I69-K73 WeakPolarHBondContact O-CG 3.4Å; I69-K73 PolarHBondContact O-N 2.8Å; M70-K73 PolarHBondContact O-N 3.14Å; K73-R75 PolarHBondContact O-N 3.44Å; K73-E76 PolarHBondContact O-N 2.83Å; K73-E76 VanDerWaalsContact O-N 3.17Å; K73-F77 HydrophobicContact CB-CD2 4.14Å; K73-F77 HydrophobicContact CB-CE2 3.83Å; K73-F77 HydrophobicContact CD-CE2 4.15Å; K73-F77 HydrophobicContact CD-CZ 4.16Å; K73-F77 HydrophobicContact CG-CE2 4.5Å; K73-F77 WeakPolarHBondContact O-CB 3.29Å; K73-F77 WeakPolarHBondContact O-CD2 3.19Å; K73-F77 VanDerWaalsContact O-CG 3.29Å; K73-F77 WeakPolarHBondContact O-CG 3.47Å; K73-F77 PolarHBondContact O-N 2.85Å; K73-F88 HydrophobicContact CB-CZ 3.96Å
74M88.1Confident88Confident11 Ų1157.2 Ų57.25%0.05431%0.311CS..Hα-helixtrans-57.9-37.5174.2-75-171.8-56.600111.8M70 V71 G78 I79 I85 F88M70-M74 HydrophobicContact CE-CE 3.86Å; M70-M74 HydrophobicContact CG-CE 3.89Å; M70-M74 HydrophobicContact CG-CG 4.49Å; M70-M74 HydrophobicContact CG-SD 4.26Å; M70-M74 WeakPolarHBondContact O-CB 3.36Å; M70-M74 VanDerWaalsContact O-CG 3.3Å; M70-M74 WeakPolarHBondContact O-CG 2.88Å; M70-M74 PolarHBondContact O-N 3.47Å; M70-M74 HydrophobicContact SD-CE 4.23Å; V71-M74 HydrophobicContact CG2-CE 3.94Å; M74-G78 PolarHBondContact O-N 3.05Å; M74-G78 VanDerWaalsContact O-N 3.1Å; M74-I79 HydrophobicContact CB-CB 4.26Å; M74-I79 HydrophobicContact CG-CB 4.32Å; M74-I79 PolarHBondContact O-N 3.11Å; M74-I85 HydrophobicContact SD-CB 4.46Å; M74-I85 HydrophobicContact SD-CG1 4.14Å; M74-I85 HydrophobicContact SD-CG2 4.11Å; M74-F88 HydrophobicContact CG-CD1 4.03Å; M74-F88 HydrophobicContact CG-CD2 4.21Å; M74-F88 HydrophobicContact CG-CE1 4.29Å; M74-F88 HydrophobicContact CG-CE2 4.46Å; M74-F88 HydrophobicContact CG-CG 4Å; M74-F88 HydrophobicContact CG-CZ 4.49Å; M74-F88 HydrophobicContact SD-CB 4.5Å; M74-F88 HydrophobicContact SD-CD1 4.37Å; M74-F88 HydrophobicContact SD-CG 4.42Å
75R86.7Confident87.6Confident156 Ų15656.4 Ų56.459%0.58930%0.304SS*.Hα-helixtrans-69.7-44.9175.3-171.9-177.6-62.4172.85112.1V71 K72 K73 F77 G78V71-R75 PolarHBondContact O-N 2.88Å; K72-R75 WeakPolarHBondContact O-CB 3.28Å; K72-R75 PolarHBondContact O-N 3.45Å; K73-R75 PolarHBondContact O-N 3.44Å; R75-F77 VanDerWaalsContact C-N 3.31Å; R75-F77 PolarHBondContact O-N 2.9Å; R75-G78 PolarHBondContact O-N 2.78Å
76E89.9Confident87.1Confident112 Ų11254.3 Ų54.352%0.52330%0.299SS..Hα-helixtrans-61.3-39.6178.2-72.8170.5177.600112.1K72 K73 G78K72-E76 WeakPolarHBondContact CE-OE1 3.35Å; K72-E76 WeakPolarHBondContact CG-OE1 3.38Å; K72-E76 IonicContact NZ-OE1 3.48Å; K72-E76 WeakPolarHBondContact O-CG 3.43Å; K72-E76 PolarHBondContact O-N 2.8Å; K73-E76 PolarHBondContact O-N 2.83Å; K73-E76 VanDerWaalsContact O-N 3.17Å; E76-G78 VanDerWaalsContact C-N 3.33Å
77F88.6Confident87Confident91 Ų9155.7 Ų55.740%0.39930%0.304SS..THydrogen-bonded Turntrans-84.3-4.4178.1-58.5-38.9000113.9M39 K73 R75 I79 F88M39-F77 HydrophobicContact CB-CE2 4.45Å; M39-F77 HydrophobicContact SD-CD2 4.26Å; M39-F77 HydrophobicContact SD-CE2 4.46Å; M39-F77 HydrophobicContact SD-CG 4.5Å; K73-F77 HydrophobicContact CB-CD2 4.14Å; K73-F77 HydrophobicContact CB-CE2 3.83Å; K73-F77 HydrophobicContact CD-CE2 4.15Å; K73-F77 HydrophobicContact CD-CZ 4.16Å; K73-F77 HydrophobicContact CG-CE2 4.5Å; K73-F77 WeakPolarHBondContact O-CB 3.29Å; K73-F77 WeakPolarHBondContact O-CD2 3.19Å; K73-F77 VanDerWaalsContact O-CG 3.29Å; K73-F77 WeakPolarHBondContact O-CG 3.47Å; K73-F77 PolarHBondContact O-N 2.85Å; R75-F77 VanDerWaalsContact C-N 3.31Å; R75-F77 PolarHBondContact O-N 2.9Å; F77-I79 VanDerWaalsContact C-N 3.29Å; F77-I79 HydrophobicContact CB-CD1 3.99Å; F77-I79 HydrophobicContact CB-CG1 3.9Å; F77-I79 HydrophobicContact CD2-CD1 4.3Å; F77-I79 PolarHBondContact O-N 3.15Å; F77-F88 HydrophobicContact CD2-CE2 4.16Å; F77-F88 HydrophobicContact CE2-CE2 4.34Å
78G88.2Confident86.9Confident58 Ų5855.7 Ų55.760%0.59830%0.304SS*.THydrogen-bonded Turntrans66.526.5-178.300000114.3M74 R75 E76 A80M74-G78 PolarHBondContact O-N 3.05Å; M74-G78 VanDerWaalsContact O-N 3.1Å; R75-G78 PolarHBondContact O-N 2.78Å; E76-G78 VanDerWaalsContact C-N 3.33Å; G78-A80 PolarHBondContact O-N 3.18Å
79I88.2Confident86.6Confident12 Ų1253.2 Ų53.26%0.06228%0.282CS..  trans-75.3105.9179.6-60.9173.4000109M74 F77 E84 I85 F88M74-I79 HydrophobicContact CB-CB 4.26Å; M74-I79 HydrophobicContact CG-CB 4.32Å; M74-I79 PolarHBondContact O-N 3.11Å; F77-I79 VanDerWaalsContact C-N 3.29Å; F77-I79 HydrophobicContact CB-CD1 3.99Å; F77-I79 HydrophobicContact CB-CG1 3.9Å; F77-I79 HydrophobicContact CD2-CD1 4.3Å; F77-I79 PolarHBondContact O-N 3.15Å; I79-E84 HydrophobicContact CG2-CB 3.73Å; I79-I85 HydrophobicContact CG2-CG1 3.95Å; I79-F88 HydrophobicContact CD1-CD2 3.47Å; I79-F88 VanDerWaalsContact CD1-CD2 3.47Å; I79-F88 HydrophobicContact CD1-CE2 3.94Å; I79-F88 HydrophobicContact CD1-CG 4.42Å
80A83.5Confident86Confident79 Ų7955.1 Ų55.165%0.65329%0.289SS*.  trans-124.2-17-179.100000113.7G78G78-A80 PolarHBondContact O-N 3.18Å
81D84.1Confident85.3Confident73 Ų7355.7 Ų55.739%0.3929%0.292SS..  trans-66.9131.5177.4177.1-92.3000110.8D83 E84 I85D81-D83 VanDerWaalsContact C-N 3.31Å; D81-D83 PolarHBondContact O-N 2.94Å; D81-D83 WeakPolarHBondContact OD1-CA 3.47Å; D81-D83 WeakPolarHBondContact OD1-CB 3.41Å; D81-D83 PolarHBondContact OD1-N 2.92Å; D81-E84 HydrophobicContact CB-CB 4.03Å; D81-E84 HydrophobicContact CB-CG 3.88Å; D81-E84 PolarHBondContact O-N 3.01Å; D81-E84 PolarHBondContact OD1-N 2.98Å; D81-I85 VanDerWaalsContact O-CG1 3.25Å; D81-I85 WeakPolarHBondContact O-CG1 3.42Å; D81-I85 PolarHBondContact O-N 2.94Å
82P79.8Confident84.3Confident96 Ų9655.1 Ų55.162%0.62329%0.289SS*.Hα-helixtrans-60.6-34.1-177.8-25.335.1000114.9M86P82-M86 WeakPolarHBondContact O-CB 3.38Å; P82-M86 PolarHBondContact O-N 3.15Å
83D82.4Confident83Confident66 Ų6649.2 Ų49.235%0.35326%0.263SS..Hα-helixtrans-74.7-39.7178.5-74.5-35.2000110.2D81 M86 W87 K349D81-D83 VanDerWaalsContact C-N 3.31Å; D81-D83 PolarHBondContact O-N 2.94Å; D81-D83 WeakPolarHBondContact OD1-CA 3.47Å; D81-D83 WeakPolarHBondContact OD1-CB 3.41Å; D81-D83 PolarHBondContact OD1-N 2.92Å; D83-M86 WeakPolarHBondContact O-CB 3.31Å; D83-M86 PolarHBondContact O-N 2.91Å; D83-M86 VanDerWaalsContact O-N 3.14Å; D83-W87 PolarHBondContact O-N 2.91Å; D83-K349 IonicContact OD1-NZ 2.91Å; D83-K349 PolarHBondContact OD1-NZ 2.78Å; D83-K349 IonicContact OD2-NZ 3.66Å; D83-K349 PolarHBondContact OD2-NZ 2.76Å
84E89.6Confident81.4Confident36 Ų3649.4 Ų49.417%0.16827%0.266CS..Hα-helixtrans-63.5-42.2171.9-66.2-170177.300113.1R32 I36 I79 D81 M86 W87 F88R32-E84 HydrophobicContact CG-CG 4.41Å; R32-E84 IonicContact CZ-OE1 3.26Å; R32-E84 IonicContact CZ-OE2 2.82Å; R32-E84 VanDerWaalsContact NE-CD 3.29Å; R32-E84 IonicContact NE-OE1 2.86Å; R32-E84 PolarHBondContact NE-OE1 3.39Å; R32-E84 IonicContact NE-OE2 2.82Å; R32-E84 IonicContact NH2-OE1 3.16Å; R32-E84 PolarHBondContact NH2-OE1 3.23Å; R32-E84 IonicContact NH2-OE2 2.97Å; R32-E84 PolarHBondContact NH2-OE2 3.12Å; I36-E84 HydrophobicContact CD1-CB 3.71Å; I36-E84 HydrophobicContact CD1-CG 3.76Å; I79-E84 HydrophobicContact CG2-CB 3.73Å; D81-E84 HydrophobicContact CB-CB 4.03Å; D81-E84 HydrophobicContact CB-CG 3.88Å; D81-E84 PolarHBondContact O-N 3.01Å; D81-E84 PolarHBondContact OD1-N 2.98Å; E84-M86 PolarHBondContact O-N 3.49Å; E84-W87 HydrophobicContact CB-CE3 4.38Å; E84-W87 HydrophobicContact CG-CE3 4.03Å; E84-W87 HydrophobicContact CG-CZ3 3.97Å; E84-W87 PolarHBondContact O-N 2.9Å; E84-F88 WeakPolarHBondContact O-CB 3.26Å; E84-F88 PolarHBondContact O-N 2.97Å
85I86.2Confident79.9Confident37 Ų3749.5 Ų49.519%0.1927%0.267CS..Hα-helixtrans-57.2-43.8172.6-70.3167.2000109M74 I79 D81 F88 K89M74-I85 HydrophobicContact SD-CB 4.46Å; M74-I85 HydrophobicContact SD-CG1 4.14Å; M74-I85 HydrophobicContact SD-CG2 4.11Å; I79-I85 HydrophobicContact CG2-CG1 3.95Å; D81-I85 VanDerWaalsContact O-CG1 3.25Å; D81-I85 WeakPolarHBondContact O-CG1 3.42Å; D81-I85 PolarHBondContact O-N 2.94Å; I85-F88 PolarHBondContact O-N 3.25Å; I85-K89 HydrophobicContact CG2-CD 3.74Å; I85-K89 HydrophobicContact CG2-CG 4.17Å; I85-K89 VanDerWaalsContact O-CB 3.27Å; I85-K89 WeakPolarHBondContact O-CB 3.38Å; I85-K89 WeakPolarHBondContact O-CG 3.37Å; I85-K89 PolarHBondContact O-N 2.64Å
86M83.1Confident78.8Confident51 Ų5144.8 Ų44.825%0.25125%0.251SS..Hα-helixtrans-63.3-42.3178.1-173.460.565.500112.2P82 D83 E84 K89 K90 F96P82-M86 WeakPolarHBondContact O-CB 3.38Å; P82-M86 PolarHBondContact O-N 3.15Å; D83-M86 WeakPolarHBondContact O-CB 3.31Å; D83-M86 PolarHBondContact O-N 2.91Å; D83-M86 VanDerWaalsContact O-N 3.14Å; E84-M86 PolarHBondContact O-N 3.49Å; M86-K89 PolarHBondContact O-N 3.08Å; M86-K90 HydrophobicContact CG-CD 4.12Å; M86-K90 WeakPolarHBondContact O-CB 3.47Å; M86-K90 VanDerWaalsContact O-CG 3.25Å; M86-K90 WeakPolarHBondContact O-CG 3.37Å; M86-K90 PolarHBondContact O-N 3.15Å; M86-K90 HydrophobicContact SD-CD 4.5Å; M86-K90 HydrophobicContact SD-CG 4.42Å; M86-F96 HydrophobicContact CE-CZ 4.45Å; M86-F96 HydrophobicContact SD-CE1 4.4Å; M86-F96 HydrophobicContact SD-CE2 3.99Å; M86-F96 HydrophobicContact SD-CZ 3.46Å; M86-F96 WeakPolarHBondContact SD-CZ 3.28Å
87W88.4Confident78Confident37 Ų3739.7 Ų39.714%0.1423%0.227CC..Hα-helixtrans-62.4-45.8175.3-63.7-33.1000111.9N29 R32 R33 I36 D83 E84 K89 K90N29-W87 HydrophobicContact CB-CH2 3.97Å; N29-W87 HydrophobicContact CB-CZ2 4.17Å; R32-W87 HydrophobicContact CB-CZ3 4.02Å; R32-W87 HydrophobicContact CG-CE3 4.38Å; R32-W87 HydrophobicContact CG-CZ3 3.75Å; R33-W87 HydrophobicContact CB-CD2 3.84Å; R33-W87 HydrophobicContact CB-CE3 4.1Å; R33-W87 HydrophobicContact CB-CG 4.14Å; R33-W87 HydrophobicContact CB-CZ2 4.44Å; R33-W87 HydrophobicContact CG-CB 4.27Å; R33-W87 HydrophobicContact CG-CD2 4.11Å; R33-W87 HydrophobicContact CG-CG 3.86Å; I36-W87 HydrophobicContact CD1-CE3 3.9Å; I36-W87 HydrophobicContact CG2-CB 4.32Å; D83-W87 PolarHBondContact O-N 2.91Å; E84-W87 HydrophobicContact CB-CE3 4.38Å; E84-W87 HydrophobicContact CG-CE3 4.03Å; E84-W87 HydrophobicContact CG-CZ3 3.97Å; E84-W87 PolarHBondContact O-N 2.9Å; W87-K89 VanDerWaalsContact C-N 3.3Å; W87-K89 PolarHBondContact O-N 3.2Å; W87-K90 PolarHBondContact O-N 3.16Å
88F87.5Confident77.8Confident0 Ų035.9 Ų35.90%021%0.211CC..Hα-helixtrans-58-46.8176.4-162-72.8000110.7I36 I40 F46 M70 K73 M74 F77 I79 E84 I85 K90 L91 H92I36-F88 HydrophobicContact CG2-CB 3.8Å; I36-F88 HydrophobicContact CG2-CD2 3.79Å; I36-F88 HydrophobicContact CG2-CG 4.19Å; I40-F88 HydrophobicContact CD1-CB 4.42Å; I40-F88 HydrophobicContact CD1-CD1 3.84Å; I40-F88 HydrophobicContact CD1-CD2 3.99Å; I40-F88 HydrophobicContact CD1-CE1 3.98Å; I40-F88 HydrophobicContact CD1-CE2 4.13Å; I40-F88 HydrophobicContact CD1-CG 3.84Å; I40-F88 HydrophobicContact CD1-CZ 4.12Å; I40-F88 WeakPolarHBondContact CD1-O 3.21Å; I40-F88 HydrophobicContact CG1-CD1 4.41Å; I40-F88 HydrophobicContact CG1-CD2 4.26Å; I40-F88 HydrophobicContact CG1-CE1 4.05Å; I40-F88 HydrophobicContact CG1-CE2 3.9Å; I40-F88 HydrophobicContact CG1-CZ 3.79Å; F46-F88 HydrophobicContact CE1-CE1 4.45Å; F46-F88 HydrophobicContact CE2-CE1 4.42Å; F46-F88 HydrophobicContact CE2-CZ 4.07Å; F46-F88 AromaticContact CZ-CE1 3.81Å; F46-F88 HydrophobicContact CZ-CE1 3.81Å; F46-F88 AromaticContact CZ-CZ 3.84Å; F46-F88 HydrophobicContact CZ-CZ 3.84Å; M70-F88 HydrophobicContact CB-CE1 4.07Å; M70-F88 HydrophobicContact CG-CD1 3.59Å; M70-F88 HydrophobicContact CG-CE1 3.56Å; K73-F88 HydrophobicContact CB-CZ 3.96Å; M74-F88 HydrophobicContact CG-CD1 4.03Å; M74-F88 HydrophobicContact CG-CD2 4.21Å; M74-F88 HydrophobicContact CG-CE1 4.29Å; M74-F88 HydrophobicContact CG-CE2 4.46Å; M74-F88 HydrophobicContact CG-CG 4Å; M74-F88 HydrophobicContact CG-CZ 4.49Å; M74-F88 HydrophobicContact SD-CB 4.5Å; M74-F88 HydrophobicContact SD-CD1 4.37Å; M74-F88 HydrophobicContact SD-CG 4.42Å; F77-F88 HydrophobicContact CD2-CE2 4.16Å; F77-F88 HydrophobicContact CE2-CE2 4.34Å; I79-F88 HydrophobicContact CD1-CD2 3.47Å; I79-F88 VanDerWaalsContact CD1-CD2 3.47Å; I79-F88 HydrophobicContact CD1-CE2 3.94Å; I79-F88 HydrophobicContact CD1-CG 4.42Å; E84-F88 WeakPolarHBondContact O-CB 3.26Å; E84-F88 PolarHBondContact O-N 2.97Å; I85-F88 PolarHBondContact O-N 3.25Å; F88-K90 VanDerWaalsContact C-N 3.29Å; F88-K90 PolarHBondContact O-N 2.83Å; F88-L91 PolarHBondContact O-N 3.38Å; F88-H92 PolarHBondContact O-N 3.05Å
89K82.1Confident77.8Confident9 Ų933.2 Ų33.24%0.03918%0.183CC..Hα-helixtrans-66.7-27-179.7-72.7-174.971.7169.10114.3M70 I85 M86 W87 L91 H92 F96 E98 Y104M70-K89 HydrophobicContact SD-CD 4.44Å; M70-K89 HydrophobicContact SD-CG 3.63Å; I85-K89 HydrophobicContact CG2-CD 3.74Å; I85-K89 HydrophobicContact CG2-CG 4.17Å; I85-K89 VanDerWaalsContact O-CB 3.27Å; I85-K89 WeakPolarHBondContact O-CB 3.38Å; I85-K89 WeakPolarHBondContact O-CG 3.37Å; I85-K89 PolarHBondContact O-N 2.64Å; M86-K89 PolarHBondContact O-N 3.08Å; W87-K89 VanDerWaalsContact C-N 3.3Å; W87-K89 PolarHBondContact O-N 3.2Å; K89-L91 VanDerWaalsContact C-N 3.27Å; K89-L91 PolarHBondContact O-N 2.98Å; K89-H92 VanDerWaalsContact C-ND1 3.32Å; K89-H92 VanDerWaalsContact CA-ND1 3.26Å; K89-H92 WeakPolarHBondContact CA-ND1 3.45Å; K89-H92 PolarHBondContact O-CE1 2.91Å; K89-H92 PolarHBondContact O-ND1 3.1Å; K89-F96 HydrophobicContact CB-CE2 3.83Å; K89-F96 VanDerWaalsContact O-CD2 3.26Å; K89-F96 WeakPolarHBondContact O-CD2 3.28Å; K89-F96 WeakPolarHBondContact O-CE2 3.49Å; K89-E98 WeakPolarHBondContact CE-OE1 3.32Å; K89-E98 IonicContact NZ-OE1 2.74Å; K89-E98 PolarHBondContact NZ-OE1 2.92Å; K89-Y104 VanDerWaalsContact NZ-CD2 3.32Å
90K77Confident77.9Confident68 Ų6833 Ų3330%0.29618%0.182SC..Hα-helixtrans-72.8-22-178.4-83.9173.6176.2177.90113.1M86 W87 F88 F96M86-K90 HydrophobicContact CG-CD 4.12Å; M86-K90 WeakPolarHBondContact O-CB 3.47Å; M86-K90 VanDerWaalsContact O-CG 3.25Å; M86-K90 WeakPolarHBondContact O-CG 3.37Å; M86-K90 PolarHBondContact O-N 3.15Å; M86-K90 HydrophobicContact SD-CD 4.5Å; M86-K90 HydrophobicContact SD-CG 4.42Å; W87-K90 PolarHBondContact O-N 3.16Å; F88-K90 VanDerWaalsContact C-N 3.29Å; F88-K90 PolarHBondContact O-N 2.83Å; K90-F96 HydrophobicContact CB-CD2 4.37Å; K90-F96 HydrophobicContact CB-CE2 4.5Å; K90-F96 HydrophobicContact CG-CD2 3.83Å; K90-F96 HydrophobicContact CG-CE2 3.72Å; K90-F96 HydrophobicContact CG-CZ 4.42Å
91L73Confident78.1Confident12 Ų1230 Ų306%0.06316%0.159CC..Hα-helixtrans-108.3-28.5-175.6-165.272.9000113.8E37 I40 L41 F88 K89 L93 V615 T616E37-L91 VanDerWaalsContact CA-CD2 3.4Å; E37-L91 HydrophobicContact CB-CD2 3.6Å; E37-L91 HydrophobicContact CG-CD2 3.82Å; E37-L91 WeakPolarHBondContact O-CD2 3.34Å; I40-L91 HydrophobicContact CB-CD2 3.96Å; I40-L91 HydrophobicContact CD1-CB 3.91Å; I40-L91 HydrophobicContact CD1-CD2 4.32Å; I40-L91 HydrophobicContact CG2-CD2 4.21Å; I40-L91 HydrophobicContact CG2-CG 4.33Å; L41-L91 HydrophobicContact CD2-CD2 4Å; L41-L91 HydrophobicContact CG-CD2 3.9Å; F88-L91 PolarHBondContact O-N 3.38Å; K89-L91 VanDerWaalsContact C-N 3.27Å; K89-L91 PolarHBondContact O-N 2.98Å; L91-L93 PolarHBondContact O-N 3.43Å; L91-L93 VanDerWaalsContact O-N 3.14Å; L91-V615 HydrophobicContact CD1-CG1 3.78Å; L91-T616 WeakPolarHBondContact CD1-OG1 3.48Å
92H65.8Low78.5Confident1 Ų128.8 Ų28.81%0.00515%0.152CC..Hα-helixtrans-64.9-21.9-17680.4-62.4000112.7I40 F46 K66 M70 F88 K89 E98I40-H92 HydrophobicContact CG2-CB 4.41Å; F46-H92 HydrophobicContact CD1-CB 4.01Å; F46-H92 HydrophobicContact CE1-CB 3.94Å; K66-H92 WeakPolarHBondContact CE-O 3.21Å; K66-H92 PolarHBondContact NZ-O 3.37Å; M70-H92 VanDerWaalsContact SD-CE1 3.53Å; M70-H92 PolarHBondContact SD-NE2 3.42Å; M70-H92 VanDerWaalsContact SD-NE2 3.42Å; F88-H92 PolarHBondContact O-N 3.05Å; K89-H92 VanDerWaalsContact C-ND1 3.32Å; K89-H92 VanDerWaalsContact CA-ND1 3.26Å; K89-H92 WeakPolarHBondContact CA-ND1 3.45Å; K89-H92 PolarHBondContact O-CE1 2.91Å; K89-H92 PolarHBondContact O-ND1 3.1Å; H92-E98 IonicContact CE1-OE2 3.26Å; H92-E98 PolarHBondContact CE1-OE2 3.14Å; H92-E98 VanDerWaalsContact CE1-OE2 3.25Å; H92-E98 IonicContact NE2-OE2 2.82Å; H92-E98 PolarHBondContact NE2-OE2 3.34Å
93L59.4Low79.1Confident3 Ų324.2 Ų24.22%0.01612%0.123CC..SBendtrans-130.6129.9171.2-75.9166.2000111.4A63 K66 L91 N95 F96 E98A63-L93 HydrophobicContact CB-CD1 4.16Å; A63-L93 HydrophobicContact CB-CD2 4.4Å; K66-L93 HydrophobicContact CB-CD2 4.17Å; K66-L93 HydrophobicContact CB-CG 4.45Å; K66-L93 HydrophobicContact CD-CD2 3.87Å; L91-L93 PolarHBondContact O-N 3.43Å; L91-L93 VanDerWaalsContact O-N 3.14Å; L93-N95 PolarHBondContact O-N 2.84Å; L93-F96 PolarHBondContact O-N 3.26Å; L93-F96 VanDerWaalsContact O-N 3.12Å; L93-E98 HydrophobicContact CD1-CB 3.37Å
94V58.6Low79.3Confident29 Ų2923 Ų2318%0.17611%0.113CC..THydrogen-bonded Turntrans-55.5126.7175.8-175.50000108.2L51 F96 V615L51-V94 HydrophobicContact CD1-CB 4.38Å; V94-F96 PolarHBondContact O-N 2.8Å; V94-V615 HydrophobicContact CG2-CG2 4.32Å
95N56.6Low79.2Confident14 Ų1423.5 Ų23.58%0.07512%0.121CC..THydrogen-bonded Turntrans68.212.9-178.6-61.1-43.5000118.5L93 V97L93-N95 PolarHBondContact O-N 2.84Å; N95-V97 PolarHBondContact O-N 3.12Å
96F62.9Low79.4Confident57 Ų5722 Ų2225%0.2511%0.113CC..SBendtrans62.940166.6-163-114.8000115.2M86 K89 K90 L93 V94M86-F96 HydrophobicContact CE-CZ 4.45Å; M86-F96 HydrophobicContact SD-CE1 4.4Å; M86-F96 HydrophobicContact SD-CE2 3.99Å; M86-F96 HydrophobicContact SD-CZ 3.46Å; M86-F96 WeakPolarHBondContact SD-CZ 3.28Å; K89-F96 HydrophobicContact CB-CE2 3.83Å; K89-F96 VanDerWaalsContact O-CD2 3.26Å; K89-F96 WeakPolarHBondContact O-CD2 3.28Å; K89-F96 WeakPolarHBondContact O-CE2 3.49Å; K90-F96 HydrophobicContact CB-CD2 4.37Å; K90-F96 HydrophobicContact CB-CE2 4.5Å; K90-F96 HydrophobicContact CG-CD2 3.83Å; K90-F96 HydrophobicContact CG-CE2 3.72Å; K90-F96 HydrophobicContact CG-CZ 4.42Å; L93-F96 PolarHBondContact O-N 3.26Å; L93-F96 VanDerWaalsContact O-N 3.12Å; V94-F96 PolarHBondContact O-N 2.8Å
97V72.8Confident79.9Confident4 Ų419.6 Ų19.62%0.02410%0.102CC..  trans-120.9109.5-178.7170.80000107.9N95 Y232 E234 I235 N413N95-V97 PolarHBondContact O-N 3.12Å; V97-Y232 HydrophobicContact CG1-CD2 4.14Å; V97-Y232 HydrophobicContact CG1-CE2 4.47Å; V97-Y232 HydrophobicContact CG1-CG 4.18Å; V97-Y232 HydrophobicContact CG2-CD2 3.98Å; V97-Y232 HydrophobicContact CG2-CE2 3.67Å; V97-E234 HydrophobicContact CG1-CB 4.16Å; V97-I235 HydrophobicContact CB-CD1 4.29Å; V97-I235 HydrophobicContact CG1-CB 4.44Å; V97-I235 HydrophobicContact CG1-CD1 3.41Å; V97-I235 VanDerWaalsContact CG1-CD1 3.41Å; V97-I235 HydrophobicContact CG1-CG1 3.5Å; V97-N413 HydrophobicContact CG2-CB 3.99Å
98E84.2Confident80.1Confident12 Ų1218.5 Ų18.56%0.05610%0.098CC..  trans-142.2147.6-175.474.2166.1173.700114.3S67 K89 H92 L93 V100 G101S67-E98 PolarHBondContact OG-OE2 2.87Å; K89-E98 WeakPolarHBondContact CE-OE1 3.32Å; K89-E98 IonicContact NZ-OE1 2.74Å; K89-E98 PolarHBondContact NZ-OE1 2.92Å; H92-E98 IonicContact CE1-OE2 3.26Å; H92-E98 PolarHBondContact CE1-OE2 3.14Å; H92-E98 VanDerWaalsContact CE1-OE2 3.25Å; H92-E98 IonicContact NE2-OE2 2.82Å; H92-E98 PolarHBondContact NE2-OE2 3.34Å; L93-E98 HydrophobicContact CD1-CB 3.37Å; E98-V100 VanDerWaalsContact C-N 3.32Å; E98-V100 VanDerWaalsContact CD-CG2 3.5Å; E98-V100 HydrophobicContact CG-CG2 4.22Å; E98-V100 PolarHBondContact O-N 3.45Å; E98-V100 WeakPolarHBondContact OE2-CG2 3.42Å; E98-G101 PolarHBondContact O-N 3.05Å; E98-G101 VanDerWaalsContact O-N 3.11Å
99P88.7Confident80.2Confident2 Ų219 Ų191%0.01310%0.101CC..THydrogen-bonded Turntrans-62-31.9-179.1-24.932.2000115.2Y60 A63 V64 G101 G179 T183 E234Y60-P99 HydrophobicContact CD2-CG 3.97Å; Y60-P99 HydrophobicContact CE2-CB 4.07Å; Y60-P99 HydrophobicContact CE2-CG 3.76Å; A63-P99 HydrophobicContact CB-CG 4.03Å; V64-P99 HydrophobicContact CG2-CB 4.38Å; V64-P99 HydrophobicContact CG2-CG 3.93Å; P99-G101 VanDerWaalsContact C-N 3.28Å; P99-G101 PolarHBondContact O-N 2.72Å; P99-G179 WeakPolarHBondContact O-CA 3.33Å; P99-T183 HydrophobicContact CB-CG2 3.8Å; P99-T183 VanDerWaalsContact CB-OG1 3.31Å; P99-T183 WeakPolarHBondContact CB-OG1 3.35Å; P99-E234 WeakPolarHBondContact CG-O 3.42Å
100V90.1Very high80.6Confident7 Ų718.6 Ų18.64%0.04210%0.1CC..THydrogen-bonded Turntrans-88.86.7178.9-55.60000113M70 E98 L102 N103 Y104 L130 I133 T183M70-V100 HydrophobicContact CE-CG2 4.14Å; E98-V100 VanDerWaalsContact C-N 3.32Å; E98-V100 VanDerWaalsContact CD-CG2 3.5Å; E98-V100 HydrophobicContact CG-CG2 4.22Å; E98-V100 PolarHBondContact O-N 3.45Å; E98-V100 WeakPolarHBondContact OE2-CG2 3.42Å; V100-L102 PolarHBondContact O-N 3.19Å; V100-N103 VanDerWaalsContact O-CB 3.26Å; V100-N103 WeakPolarHBondContact O-CB 3.48Å; V100-N103 PolarHBondContact O-N 2.97Å; V100-N103 VanDerWaalsContact O-N 3.08Å; V100-Y104 HydrophobicContact CG2-CD2 4.35Å; V100-Y104 HydrophobicContact CG2-CE2 4.12Å; V100-Y104 WeakPolarHBondContact O-CD2 3.28Å; V100-L130 HydrophobicContact CB-CD2 4.45Å; V100-L130 HydrophobicContact CG1-CD1 4.19Å; V100-L130 HydrophobicContact CG1-CD2 4.43Å; V100-I133 HydrophobicContact CG1-CG2 4.17Å; V100-T183 HydrophobicContact CG1-CG2 4.12Å
101G88.4Confident81.4Confident17 Ų1715.3 Ų15.318%0.1759%0.085CC..Hα-helixtrans-58.1-49.1-17400000112E98 P99 N103 Y104 S105E98-G101 PolarHBondContact O-N 3.05Å; E98-G101 VanDerWaalsContact O-N 3.11Å; P99-G101 VanDerWaalsContact C-N 3.28Å; P99-G101 PolarHBondContact O-N 2.72Å; G101-N103 PolarHBondContact O-N 3.17Å; G101-Y104 PolarHBondContact O-N 3.43Å; G101-Y104 VanDerWaalsContact O-N 3.15Å; G101-S105 PolarHBondContact O-N 2.9Å; G101-S105 PolarHBondContact O-OG 3.33Å; G101-S105 VanDerWaalsContact O-OG 3.08Å
102L92.1Very high82.2Confident47 Ų4718.1 Ų18.125%0.24610%0.1CC..Hα-helixtrans-67.1-21.6178.8-68.8-164.7000113.7V100 Y104 M106 F107 G178V100-L102 PolarHBondContact O-N 3.19Å; L102-Y104 VanDerWaalsContact C-N 3.31Å; L102-Y104 PolarHBondContact O-N 2.91Å; L102-M106 HydrophobicContact CD2-CB 4.48Å; L102-M106 HydrophobicContact CD2-CG 3.98Å; L102-M106 WeakPolarHBondContact O-CA 3.47Å; L102-M106 PolarHBondContact O-N 3.46Å; L102-F107 PolarHBondContact O-N 2.96Å; L102-G178 VanDerWaalsContact CD1-N 3.33Å; L102-G178 WeakPolarHBondContact CD1-O 3.49Å
103N92.8Very high83.1Confident0 Ų020 Ų200%011%0.11CC..Iπ-helixtrans-61.2-45.1172.4-175.967.1000110.4V100 G101 I108 S127 L130 I133 G134V100-N103 VanDerWaalsContact O-CB 3.26Å; V100-N103 WeakPolarHBondContact O-CB 3.48Å; V100-N103 PolarHBondContact O-N 2.97Å; V100-N103 VanDerWaalsContact O-N 3.08Å; G101-N103 PolarHBondContact O-N 3.17Å; N103-I108 WeakPolarHBondContact O-CB 3.46Å; N103-I108 WeakPolarHBondContact O-CG1 3.33Å; N103-I108 PolarHBondContact O-N 3.02Å; N103-S127 PolarHBondContact ND2-O 3.37Å; N103-L130 WeakPolarHBondContact ND2-CD2 3.44Å; N103-I133 HydrophobicContact CB-CG2 4.47Å; N103-G134 VanDerWaalsContact CA-O 3.28Å; N103-G134 WeakPolarHBondContact CA-O 3.43Å; N103-G134 WeakPolarHBondContact CB-O 3.3Å; N103-G134 PolarHBondContact N-O 3.33Å; N103-G134 PolarHBondContact OD1-N 3.19Å
104Y86.8Confident84.5Confident39 Ų3920.7 Ų20.715%0.15311%0.113CC..Iπ-helixtrans-83.7-36-178.7-70.4-76.4000113.9M70 V71 K89 V100 G101 L102 I108 P109 L130M70-Y104 HydrophobicContact CE-CE2 3.9Å; V71-Y104 WeakPolarHBondContact CG2-OH 3.33Å; K89-Y104 VanDerWaalsContact NZ-CD2 3.32Å; V100-Y104 HydrophobicContact CG2-CD2 4.35Å; V100-Y104 HydrophobicContact CG2-CE2 4.12Å; V100-Y104 WeakPolarHBondContact O-CD2 3.28Å; G101-Y104 PolarHBondContact O-N 3.43Å; G101-Y104 VanDerWaalsContact O-N 3.15Å; L102-Y104 VanDerWaalsContact C-N 3.31Å; L102-Y104 PolarHBondContact O-N 2.91Å; Y104-I108 HydrophobicContact CD1-CD1 3.96Å; Y104-I108 HydrophobicContact CE1-CD1 4.19Å; Y104-P109 WeakPolarHBondContact O-CD 3.36Å; Y104-P109 VanDerWaalsContact O-CG 3.25Å; Y104-P109 WeakPolarHBondContact O-CG 3.34Å; Y104-L130 HydrophobicContact CE2-CD2 4.23Å
105S86Confident86.2Confident47 Ų4719.4 Ų19.433%0.32911%0.106SC..Iπ-helixtrans-88.8-24.4-174.864.60000114G101 P109G101-S105 PolarHBondContact O-N 2.9Å; G101-S105 PolarHBondContact O-OG 3.33Å; G101-S105 VanDerWaalsContact O-OG 3.08Å; S105-P109 WeakPolarHBondContact O-CG 3.42Å
106M90.9Very high88Confident7 Ų720.8 Ų20.83%0.03412%0.115CC..Iπ-helixtrans-126.2-55.5-177.3-71.3-66.8-8900112.9L102 P109 T110 Y136 T277 V281L102-M106 HydrophobicContact CD2-CB 4.48Å; L102-M106 HydrophobicContact CD2-CG 3.98Å; L102-M106 WeakPolarHBondContact O-CA 3.47Å; L102-M106 PolarHBondContact O-N 3.46Å; M106-P109 WeakPolarHBondContact O-CD 3.48Å; M106-T110 VanDerWaalsContact O-CB 3.26Å; M106-T110 WeakPolarHBondContact O-CB 3.24Å; M106-T110 PolarHBondContact O-N 3.46Å; M106-T110 PolarHBondContact O-OG1 2.63Å; M106-Y136 HydrophobicContact CB-CG 4.16Å; M106-Y136 HydrophobicContact CE-CD1 3.32Å; M106-Y136 HydrophobicContact CE-CD2 4.18Å; M106-Y136 HydrophobicContact CE-CE1 3.5Å; M106-Y136 HydrophobicContact CE-CE2 4.36Å; M106-Y136 HydrophobicContact CE-CG 3.68Å; M106-T277 HydrophobicContact CE-CG2 4.47Å; M106-T277 HydrophobicContact SD-CG2 3.87Å; M106-V281 HydrophobicContact CG-CG2 4.41Å; M106-V281 HydrophobicContact SD-CB 4.46Å; M106-V281 HydrophobicContact SD-CG2 3.34Å; M106-V281 WeakPolarHBondContact SD-CG2 3.34Å
107F94.6Very high89.5Confident0 Ų022.9 Ų22.90%013%0.133CC..Iπ-helixtrans-61.7-55.2-172.2-170.4-98.7000112.7L102 T110 L111 S127 I132 G134 T135 H186 I188 I206L102-F107 PolarHBondContact O-N 2.96Å; F107-T110 PolarHBondContact O-N 3.34Å; F107-L111 HydrophobicContact CD1-CD1 3.83Å; F107-L111 HydrophobicContact CE1-CD1 3.59Å; F107-L111 HydrophobicContact CE1-CG 4.45Å; F107-L111 HydrophobicContact CZ-CD1 4.31Å; F107-L111 WeakPolarHBondContact O-CG 3.36Å; F107-L111 PolarHBondContact O-N 3.38Å; F107-S127 WeakPolarHBondContact CE1-OG 3.46Å; F107-I132 HydrophobicContact CE1-CG2 4.24Å; F107-I132 HydrophobicContact CZ-CG2 4.35Å; F107-G134 VanDerWaalsContact CD2-CA 3.48Å; F107-G134 VanDerWaalsContact CG-CA 3.49Å; F107-T135 WeakPolarHBondContact CD2-O 3.39Å; F107-H186 HydrophobicContact CE2-CB 4.3Å; F107-H186 HydrophobicContact CZ-CB 4.07Å; F107-I188 HydrophobicContact CD2-CB 4.26Å; F107-I188 HydrophobicContact CD2-CD1 3.57Å; F107-I188 HydrophobicContact CD2-CG1 3.61Å; F107-I188 HydrophobicContact CE2-CB 4.46Å; F107-I188 HydrophobicContact CE2-CD1 3.93Å; F107-I188 HydrophobicContact CE2-CG1 3.6Å; F107-I188 HydrophobicContact CG-CD1 4.15Å; F107-I206 HydrophobicContact CZ-CG2 4.49Å
108I92.2Very high90.7Very high13 Ų1325.9 Ų25.97%0.06716%0.158CC..Hα-helixtrans-62-48.9177.4-71.1166.6000111.5N103 Y104 T110 L111 L112 L124 K128N103-I108 WeakPolarHBondContact O-CB 3.46Å; N103-I108 WeakPolarHBondContact O-CG1 3.33Å; N103-I108 PolarHBondContact O-N 3.02Å; Y104-I108 HydrophobicContact CD1-CD1 3.96Å; Y104-I108 HydrophobicContact CE1-CD1 4.19Å; I108-T110 VanDerWaalsContact C-N 3.31Å; I108-T110 PolarHBondContact O-N 3.22Å; I108-L111 WeakPolarHBondContact O-CB 3.46Å; I108-L111 PolarHBondContact O-N 3.5Å; I108-L112 HydrophobicContact CG2-CD1 3.89Å; I108-L112 HydrophobicContact CG2-CG 4.4Å; I108-L112 WeakPolarHBondContact O-CG 3.48Å; I108-L112 PolarHBondContact O-N 3.49Å; I108-L124 HydrophobicContact CG2-CD2 4.1Å; I108-K128 HydrophobicContact CD1-CG 4.13Å
109P89.1Confident91.3Very high11 Ų1125.8 Ų25.87%0.07116%0.157CC..Hα-helixtrans-59.3-37175.5-3139.4000113.9Y104 S105 M106 L112 N113 T277 F280Y104-P109 WeakPolarHBondContact O-CD 3.36Å; Y104-P109 VanDerWaalsContact O-CG 3.25Å; Y104-P109 WeakPolarHBondContact O-CG 3.34Å; S105-P109 WeakPolarHBondContact O-CG 3.42Å; M106-P109 WeakPolarHBondContact O-CD 3.48Å; P109-L112 PolarHBondContact O-N 2.87Å; P109-N113 VanDerWaalsContact O-CB 3.22Å; P109-N113 WeakPolarHBondContact O-CB 3.34Å; P109-N113 VanDerWaalsContact O-CG 3.32Å; P109-N113 PolarHBondContact O-N 2.91Å; P109-N113 PolarHBondContact O-ND2 3.43Å; P109-T277 HydrophobicContact CB-CG2 4.39Å; P109-F280 HydrophobicContact CB-CD1 4.43Å; P109-F280 HydrophobicContact CB-CE1 4.29Å; P109-F280 HydrophobicContact CG-CE1 4.16Å
110T91.6Very high91.6Very high0 Ų028.6 Ų28.60%017%0.169CC..Hα-helixtrans-66.1-42.4174.6-61.60000111.2M106 F107 I108 L112 N113 Q114 I188 L253 T277M106-T110 VanDerWaalsContact O-CB 3.26Å; M106-T110 WeakPolarHBondContact O-CB 3.24Å; M106-T110 PolarHBondContact O-N 3.46Å; M106-T110 PolarHBondContact O-OG1 2.63Å; F107-T110 PolarHBondContact O-N 3.34Å; I108-T110 VanDerWaalsContact C-N 3.31Å; I108-T110 PolarHBondContact O-N 3.22Å; T110-L112 PolarHBondContact O-N 3.36Å; T110-N113 PolarHBondContact O-N 3.32Å; T110-Q114 HydrophobicContact CG2-CB 4.33Å; T110-Q114 HydrophobicContact CG2-CG 4.16Å; T110-Q114 WeakPolarHBondContact O-CA 3.48Å; T110-Q114 WeakPolarHBondContact O-CB 3.29Å; T110-Q114 PolarHBondContact O-N 2.99Å; T110-I188 HydrophobicContact CG2-CD1 3.71Å; T110-I188 HydrophobicContact CG2-CG2 4.38Å; T110-L253 HydrophobicContact CG2-CD1 3.45Å; T110-L253 VanDerWaalsContact CG2-CD1 3.45Å; T110-T277 WeakPolarHBondContact OG1-CG2 3.45Å
111L93.3Very high91.9Very high0 Ų034.8 Ų34.80%020%0.198CC..Hα-helixtrans-61.1-43.8174.3-70.3174.9000112.1F107 I108 G115 K120 W123 L124 I188 I206 L253F107-L111 HydrophobicContact CD1-CD1 3.83Å; F107-L111 HydrophobicContact CE1-CD1 3.59Å; F107-L111 HydrophobicContact CE1-CG 4.45Å; F107-L111 HydrophobicContact CZ-CD1 4.31Å; F107-L111 WeakPolarHBondContact O-CG 3.36Å; F107-L111 PolarHBondContact O-N 3.38Å; I108-L111 WeakPolarHBondContact O-CB 3.46Å; I108-L111 PolarHBondContact O-N 3.5Å; L111-G115 VanDerWaalsContact O-CA 3.31Å; L111-G115 WeakPolarHBondContact O-CA 3.41Å; L111-G115 PolarHBondContact O-N 2.77Å; L111-K120 WeakPolarHBondContact O-CE 3.36Å; L111-W123 HydrophobicContact CD1-CB 3.88Å; L111-W123 HydrophobicContact CD2-CB 4.22Å; L111-L124 HydrophobicContact CB-CD2 3.54Å; L111-L124 HydrophobicContact CB-CG 4.14Å; L111-L124 HydrophobicContact CD1-CD2 3.92Å; L111-L124 HydrophobicContact CD1-CG 4.47Å; L111-L124 HydrophobicContact CG-CD2 4.4Å; L111-I188 HydrophobicContact CD2-CD1 4.46Å; L111-I188 HydrophobicContact CG-CD1 4.38Å; L111-I206 HydrophobicContact CD2-CD1 3.54Å; L111-I206 HydrophobicContact CD2-CG1 4.25Å; L111-L253 HydrophobicContact CD2-CD2 4.13Å
112L89.3Confident92.3Very high71 Ų7139.5 Ų39.537%0.37221%0.213SC..Hα-helixtrans-62.9-43.3177.3-73.8168.5000112.1I108 P109 T110 K120 L124I108-L112 HydrophobicContact CG2-CD1 3.89Å; I108-L112 HydrophobicContact CG2-CG 4.4Å; I108-L112 WeakPolarHBondContact O-CG 3.48Å; I108-L112 PolarHBondContact O-N 3.49Å; P109-L112 PolarHBondContact O-N 2.87Å; T110-L112 PolarHBondContact O-N 3.36Å; L112-K120 WeakPolarHBondContact O-CE 3.48Å; L112-K120 PolarHBondContact O-NZ 2.76Å; L112-L124 HydrophobicContact CD2-CD1 3.55Å; L112-L124 HydrophobicContact CD2-CD2 4.3Å; L112-L124 HydrophobicContact CG-CD1 4.18Å; L112-L124 HydrophobicContact CG-CD2 4.09Å
113N85Confident92.5Very high40 Ų4038.3 Ų38.321%0.21421%0.206CC..Hα-helixtrans-87.4-30.4-171.9-72.2-44.1000113.9P109 T110 K255 Y256P109-N113 VanDerWaalsContact O-CB 3.22Å; P109-N113 WeakPolarHBondContact O-CB 3.34Å; P109-N113 VanDerWaalsContact O-CG 3.32Å; P109-N113 PolarHBondContact O-N 2.91Å; P109-N113 PolarHBondContact O-ND2 3.43Å; T110-N113 PolarHBondContact O-N 3.32Å; N113-K255 WeakPolarHBondContact O-CD 3.12Å; N113-K255 WeakPolarHBondContact O-CE 3.19Å; N113-K255 PolarHBondContact O-NZ 2.78Å; N113-Y256 PolarHBondContact O-OH 3.29Å
114Q89.1Confident92.5Very high17 Ų1739 Ų398%0.07921%0.21CC..Hα-helixtrans-122.1-10.6-170.9-48.7-16923.100113.9T110 L253 K255 Y256 T274 T277T110-Q114 HydrophobicContact CG2-CB 4.33Å; T110-Q114 HydrophobicContact CG2-CG 4.16Å; T110-Q114 WeakPolarHBondContact O-CA 3.48Å; T110-Q114 WeakPolarHBondContact O-CB 3.29Å; T110-Q114 PolarHBondContact O-N 2.99Å; Q114-L253 HydrophobicContact CB-CB 4.28Å; Q114-L253 HydrophobicContact CB-CD1 4.01Å; Q114-K255 WeakPolarHBondContact O-CB 3.18Å; Q114-K255 PolarHBondContact O-N 2.88Å; Q114-K255 VanDerWaalsContact O-N 3.16Å; Q114-Y256 HydrophobicContact CG-CE2 4.24Å; Q114-T274 PolarHBondContact NE2-O 2.65Å; Q114-T277 PolarHBondContact NE2-OG1 3.17Å; Q114-T277 VanDerWaalsContact NE2-OG1 3.14Å
115G92.8Very high92.7Very high2 Ų241 Ų412%0.02123%0.227CC..  trans-77.2147.7175.200000113.1L111 K120L111-G115 VanDerWaalsContact O-CA 3.31Å; L111-G115 WeakPolarHBondContact O-CA 3.41Å; L111-G115 PolarHBondContact O-N 2.77Å; G115-K120 VanDerWaalsContact O-CE 3.25Å; G115-K120 WeakPolarHBondContact O-CE 3.48Å
116T94.8Very high93Very high44 Ų4440.8 Ų40.827%0.2723%0.226SC..  trans-70.8166.9164.467.80000110.8A118 Q119 K120 M254T116-A118 VanDerWaalsContact C-N 3.34Å; T116-A118 PolarHBondContact O-N 3.29Å; T116-Q119 PolarHBondContact O-N 2.99Å; T116-Q119 VanDerWaalsContact O-N 3.15Å; T116-Q119 VanDerWaalsContact OG1-CG 3.29Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.33Å; T116-Q119 PolarHBondContact OG1-N 3.33Å; T116-Q119 PolarHBondContact OG1-OE1 2.8Å; T116-K120 VanDerWaalsContact O-CG 3.31Å; T116-K120 WeakPolarHBondContact O-CG 3.39Å; T116-K120 PolarHBondContact O-N 2.98Å; T116-M254 HydrophobicContact CG2-CB 3.79Å
117T95.9Very high93Very high101 Ų10140.5 Ų40.562%0.6222%0.224SC*.Hα-helixtrans-55.3-47.9177.1-52.10000111.9Q119 K120 E121T117-Q119 VanDerWaalsContact C-N 3.32Å; T117-Q119 PolarHBondContact O-N 3.24Å; T117-K120 WeakPolarHBondContact O-CB 3.32Å; T117-K120 PolarHBondContact O-N 2.95Å; T117-K120 VanDerWaalsContact O-N 3.15Å; T117-E121 WeakPolarHBondContact O-CG 3.33Å; T117-E121 PolarHBondContact O-N 3.07Å
118A96.6Very high92.5Very high67 Ų6746.3 Ų46.355%0.55425%0.25SC*.Hα-helixtrans-61.6-37.7177.400000112.9T116 K122T116-A118 VanDerWaalsContact C-N 3.34Å; T116-A118 PolarHBondContact O-N 3.29Å; A118-K122 WeakPolarHBondContact O-CB 3.32Å; A118-K122 PolarHBondContact O-N 3.27Å
119Q97Very high92Very high10 Ų1046.4 Ų46.45%0.04725%0.253CS..Hα-helixtrans-67.2-39.6175.8-73.1171.6-27.500112T116 T117 K122 W123 E250 M252T116-Q119 PolarHBondContact O-N 2.99Å; T116-Q119 VanDerWaalsContact O-N 3.15Å; T116-Q119 VanDerWaalsContact OG1-CG 3.29Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.33Å; T116-Q119 PolarHBondContact OG1-N 3.33Å; T116-Q119 PolarHBondContact OG1-OE1 2.8Å; T117-Q119 VanDerWaalsContact C-N 3.32Å; T117-Q119 PolarHBondContact O-N 3.24Å; Q119-K122 PolarHBondContact O-N 2.97Å; Q119-W123 PolarHBondContact O-N 3.33Å; Q119-E250 PolarHBondContact NE2-O 2.85Å; Q119-M252 PolarHBondContact NE2-O 2.79Å
120K96.1Very high91.9Very high60 Ų6047.1 Ų47.126%0.26126%0.257SS..Hα-helixtrans-62.2-48.7176.5-73.2176-176.7-172.80110.9L111 L112 G115 T116 T117 K122 W123 L124 P125L111-K120 WeakPolarHBondContact O-CE 3.36Å; L112-K120 WeakPolarHBondContact O-CE 3.48Å; L112-K120 PolarHBondContact O-NZ 2.76Å; G115-K120 VanDerWaalsContact O-CE 3.25Å; G115-K120 WeakPolarHBondContact O-CE 3.48Å; T116-K120 VanDerWaalsContact O-CG 3.31Å; T116-K120 WeakPolarHBondContact O-CG 3.39Å; T116-K120 PolarHBondContact O-N 2.98Å; T117-K120 WeakPolarHBondContact O-CB 3.32Å; T117-K120 PolarHBondContact O-N 2.95Å; T117-K120 VanDerWaalsContact O-N 3.15Å; K120-K122 VanDerWaalsContact C-N 3.31Å; K120-K122 PolarHBondContact O-N 3.25Å; K120-W123 PolarHBondContact O-N 3.2Å; K120-L124 HydrophobicContact CB-CD1 3.66Å; K120-L124 HydrophobicContact CB-CG 4.32Å; K120-L124 HydrophobicContact CD-CD1 4.4Å; K120-L124 HydrophobicContact CG-CD1 3.77Å; K120-L124 WeakPolarHBondContact O-CB 3.39Å; K120-L124 PolarHBondContact O-N 3.05Å; K120-P125 WeakPolarHBondContact O-CD 3.33Å
121E96.3Very high91.9Very high138 Ų13852 Ų5265%0.64528%0.279SS*.Hα-helixtrans-60.1-40.6177.5-71.6168.6-179.200112T117 P125T117-E121 WeakPolarHBondContact O-CG 3.33Å; T117-E121 PolarHBondContact O-N 3.07Å; E121-P125 WeakPolarHBondContact O-CD 3.39Å
122K95.8Very high91.9Very high115 Ų11552.5 Ų52.550%0.528%0.282SS..Hα-helixtrans-68.3-45.5179.3-175.6174.4179-179.60113.5A118 Q119 K120A118-K122 WeakPolarHBondContact O-CB 3.32Å; A118-K122 PolarHBondContact O-N 3.27Å; Q119-K122 PolarHBondContact O-N 2.97Å; K120-K122 VanDerWaalsContact C-N 3.31Å; K120-K122 PolarHBondContact O-N 3.25Å
123W96.1Very high92.2Very high22 Ų2250.5 Ų50.58%0.08327%0.271CS..Hα-helixtrans-107.5-34-165.7-59.8112.3000114.5L111 Q119 K120 S127 I132 H186 I206L111-W123 HydrophobicContact CD1-CB 3.88Å; L111-W123 HydrophobicContact CD2-CB 4.22Å; Q119-W123 PolarHBondContact O-N 3.33Å; K120-W123 PolarHBondContact O-N 3.2Å; W123-S127 WeakPolarHBondContact O-CB 3.49Å; W123-S127 PolarHBondContact O-N 3.29Å; W123-S127 PolarHBondContact O-OG 2.91Å; W123-I132 HydrophobicContact CE3-CD1 3.47Å; W123-I132 VanDerWaalsContact CE3-CD1 3.47Å; W123-I132 HydrophobicContact CZ3-CD1 3.53Å; W123-H186 AromaticContact CH2-NE2 3.9Å; W123-H186 AromaticContact CZ3-CD2 3.77Å; W123-H186 AromaticContact CZ3-NE2 3.49Å; W123-H186 WeakPolarHBondContact CZ3-NE2 3.17Å; W123-I206 HydrophobicContact CD2-CD1 4.37Å; W123-I206 HydrophobicContact CD2-CG2 4.36Å; W123-I206 HydrophobicContact CG-CD1 3.96Å; W123-I206 HydrophobicContact CZ2-CG2 4.2Å
124L92.9Very high92.8Very high16 Ų1648.7 Ų48.78%0.08426%0.262CS..Hα-helixtrans-64-45.1-173.5-73.1174.2000114I108 L111 L112 K120 S126 S127 K128I108-L124 HydrophobicContact CG2-CD2 4.1Å; L111-L124 HydrophobicContact CB-CD2 3.54Å; L111-L124 HydrophobicContact CB-CG 4.14Å; L111-L124 HydrophobicContact CD1-CD2 3.92Å; L111-L124 HydrophobicContact CD1-CG 4.47Å; L111-L124 HydrophobicContact CG-CD2 4.4Å; L112-L124 HydrophobicContact CD2-CD1 3.55Å; L112-L124 HydrophobicContact CD2-CD2 4.3Å; L112-L124 HydrophobicContact CG-CD1 4.18Å; L112-L124 HydrophobicContact CG-CD2 4.09Å; K120-L124 HydrophobicContact CB-CD1 3.66Å; K120-L124 HydrophobicContact CB-CG 4.32Å; K120-L124 HydrophobicContact CD-CD1 4.4Å; K120-L124 HydrophobicContact CG-CD1 3.77Å; K120-L124 WeakPolarHBondContact O-CB 3.39Å; K120-L124 PolarHBondContact O-N 3.05Å; L124-S126 PolarHBondContact O-N 3.21Å; L124-S127 PolarHBondContact O-N 3.49Å; L124-K128 WeakPolarHBondContact O-CG 3.39Å; L124-K128 PolarHBondContact O-N 2.75Å
125P91.3Very high93.2Very high81 Ų8147.9 Ų47.953%0.52626%0.258SS..Hα-helixtrans-57.7-49.7-177.8-25.735.6000112K120 E121 S127 K128 G129K120-P125 WeakPolarHBondContact O-CD 3.33Å; E121-P125 WeakPolarHBondContact O-CD 3.39Å; P125-S127 VanDerWaalsContact C-N 3.31Å; P125-S127 PolarHBondContact O-N 3.42Å; P125-K128 PolarHBondContact O-N 3.45Å; P125-G129 PolarHBondContact O-N 3.45Å
126S91.7Very high93.4Very high42 Ų4249 Ų4929%0.29426%0.262SS..Hα-helixtrans-67.3-29.3178.7-56.20000113.4L124 L130 Q131 I132L124-S126 PolarHBondContact O-N 3.21Å; S126-L130 PolarHBondContact O-N 3.24Å; S126-Q131 PolarHBondContact O-N 2.65Å; S126-Q131 PolarHBondContact O-OE1 3.47Å; S126-I132 PolarHBondContact O-N 2.96Å
127S91.9Very high93.6Very high0 Ų047 Ų470%025%0.249CC..Hα-helixtrans-76.7-37178.7-53.60000112.4N103 F107 W123 L124 P125 G129 L130 I132N103-S127 PolarHBondContact ND2-O 3.37Å; F107-S127 WeakPolarHBondContact CE1-OG 3.46Å; W123-S127 WeakPolarHBondContact O-CB 3.49Å; W123-S127 PolarHBondContact O-N 3.29Å; W123-S127 PolarHBondContact O-OG 2.91Å; L124-S127 PolarHBondContact O-N 3.49Å; P125-S127 VanDerWaalsContact C-N 3.31Å; P125-S127 PolarHBondContact O-N 3.42Å; S127-G129 VanDerWaalsContact C-N 3.32Å; S127-L130 PolarHBondContact O-N 2.87Å; S127-I132 WeakPolarHBondContact CA-O 3.43Å
128K84.6Confident93.6Very high123 Ų12343.3 Ų43.354%0.53523%0.225SC..Hα-helixtrans-66.5-34.8175.5-75.4-177.4174.8-170.80112I108 L124 P125I108-K128 HydrophobicContact CD1-CG 4.13Å; L124-K128 WeakPolarHBondContact O-CG 3.39Å; L124-K128 PolarHBondContact O-N 2.75Å; P125-K128 PolarHBondContact O-N 3.45Å
129G81.6Confident93.6Very high14 Ų1442 Ų4214%0.14421%0.21CC..THydrogen-bonded Turntrans-89.56.7178.500000115.4P125 S127 Q131P125-G129 PolarHBondContact O-N 3.45Å; S127-G129 VanDerWaalsContact C-N 3.32Å; G129-Q131 PolarHBondContact O-N 3.16Å; G129-Q131 VanDerWaalsContact O-N 3.17Å; G129-Q131 PolarHBondContact O-OE1 3.09Å
130L86.6Confident93.7Very high27 Ų2741.6 Ų41.614%0.14121%0.208CC..THydrogen-bonded Turntrans56.217.9-175-61.4-173.8000115.7V71 V100 N103 Y104 S126 S127 I133V71-L130 HydrophobicContact CB-CD1 3.92Å; V71-L130 HydrophobicContact CB-CG 4.37Å; V71-L130 HydrophobicContact CG1-CD1 4.28Å; V71-L130 HydrophobicContact CG1-CG 4.2Å; V71-L130 HydrophobicContact CG2-CD1 3.21Å; V71-L130 HydrophobicContact CG2-CG 3.71Å; V100-L130 HydrophobicContact CB-CD2 4.45Å; V100-L130 HydrophobicContact CG1-CD1 4.19Å; V100-L130 HydrophobicContact CG1-CD2 4.43Å; N103-L130 WeakPolarHBondContact ND2-CD2 3.44Å; Y104-L130 HydrophobicContact CE2-CD2 4.23Å; S126-L130 PolarHBondContact O-N 3.24Å; S127-L130 PolarHBondContact O-N 2.87Å; L130-I133 HydrophobicContact CB-CG1 4.18Å; L130-I133 HydrophobicContact CD2-CG1 4.21Å
131Q90.3Very high93.8Very high101 Ų10142.8 Ų42.847%0.47222%0.216SC..SBendtrans-65.4-35.5165.6-61.789.2-5.800110.2S126 G129 N185S126-Q131 PolarHBondContact O-N 2.65Å; S126-Q131 PolarHBondContact O-OE1 3.47Å; G129-Q131 PolarHBondContact O-N 3.16Å; G129-Q131 VanDerWaalsContact O-N 3.17Å; G129-Q131 PolarHBondContact O-OE1 3.09Å; Q131-N185 PolarHBondContact O-ND2 2.85Å
132I94.6Very high93.8Very high12 Ų1238.2 Ų38.26%0.06221%0.206CC..SBendtrans-110129.1164.6-71.5176.5000107.7F107 W123 S126 S127 H186F107-I132 HydrophobicContact CE1-CG2 4.24Å; F107-I132 HydrophobicContact CZ-CG2 4.35Å; W123-I132 HydrophobicContact CE3-CD1 3.47Å; W123-I132 VanDerWaalsContact CE3-CD1 3.47Å; W123-I132 HydrophobicContact CZ3-CD1 3.53Å; S126-I132 PolarHBondContact O-N 2.96Å; S127-I132 WeakPolarHBondContact CA-O 3.43Å; I132-H186 HydrophobicContact CG2-CB 3.87Å
133I95.8Very high93.9Very high29 Ų2935 Ų3515%0.14919%0.192CC..  trans-113109.1175.1-51.3179000107.1V100 N103 L130 T183 S184 N185 H186V100-I133 HydrophobicContact CG1-CG2 4.17Å; N103-I133 HydrophobicContact CB-CG2 4.47Å; L130-I133 HydrophobicContact CB-CG1 4.18Å; L130-I133 HydrophobicContact CD2-CG1 4.21Å; I133-T183 HydrophobicContact CD1-CG2 4.43Å; I133-T183 HydrophobicContact CG2-CG2 4.13Å; I133-S184 CarbonylContact O-C 3.49Å; I133-S184 WeakPolarHBondContact O-CA 3.35Å; I133-S184 VanDerWaalsContact O-CB 3.26Å; I133-S184 WeakPolarHBondContact O-CB 3.48Å; I133-N185 PolarHBondContact N-OD1 3.49Å; I133-N185 PolarHBondContact O-N 3.3Å; I133-N185 PolarHBondContact O-OD1 2.9Å; I133-H186 PolarHBondContact O-N 3Å; I133-H186 VanDerWaalsContact O-N 3.17Å
134G97.2Very high93.6Very high1 Ų135.8 Ų35.81%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-94153.9-178.100000113.8N103 F107 S184 H186N103-G134 VanDerWaalsContact CA-O 3.28Å; N103-G134 WeakPolarHBondContact CA-O 3.43Å; N103-G134 WeakPolarHBondContact CB-O 3.3Å; N103-G134 PolarHBondContact N-O 3.33Å; N103-G134 PolarHBondContact OD1-N 3.19Å; F107-G134 VanDerWaalsContact CD2-CA 3.48Å; F107-G134 VanDerWaalsContact CG-CA 3.49Å; G134-S184 PolarHBondContact O-OG 3.15Å; G134-H186 CarbonylContact C-O 3.52Å; G134-H186 VanDerWaalsContact CA-O 3.28Å; G134-H186 WeakPolarHBondContact CA-O 3.32Å
135T97.9Very high93.4Very high0 Ų038.5 Ų38.50%023%0.225CC..EExtended strand (participates in β ladder)trans-135.4174.1165.8-174.80000110.5F107 G178 L180 S184 H186 A187 I188F107-T135 WeakPolarHBondContact CD2-O 3.39Å; T135-G178 WeakPolarHBondContact CB-O 3.26Å; T135-G178 PolarHBondContact OG1-O 2.95Å; T135-L180 HydrophobicContact CG2-CB 3.92Å; T135-L180 HydrophobicContact CG2-CD1 3.78Å; T135-L180 HydrophobicContact CG2-CG 4.43Å; T135-S184 WeakPolarHBondContact CB-OG 3.42Å; T135-H186 PolarHBondContact N-O 3.34Å; T135-H186 VanDerWaalsContact N-O 3.14Å; T135-A187 HydrophobicContact CG2-CB 3.78Å; T135-A187 WeakPolarHBondContact O-CA 3.48Å; T135-I188 PolarHBondContact O-N 3.32Å
136Y96.8Very high93.3Very high27 Ų2739.3 Ų39.311%0.10622%0.221CC..EExtended strand (participates in β ladder)trans-117102.5-178.8-169.4-100.1000111.3M106 Q138 P177 I188M106-Y136 HydrophobicContact CB-CG 4.16Å; M106-Y136 HydrophobicContact CE-CD1 3.32Å; M106-Y136 HydrophobicContact CE-CD2 4.18Å; M106-Y136 HydrophobicContact CE-CE1 3.5Å; M106-Y136 HydrophobicContact CE-CE2 4.36Å; M106-Y136 HydrophobicContact CE-CG 3.68Å; Y136-Q138 HydrophobicContact CD1-CB 3.92Å; Y136-Q138 HydrophobicContact CE1-CB 3.47Å; Y136-Q138 VanDerWaalsContact CE1-CB 3.47Å; Y136-Q138 HydrophobicContact CE1-CG 4.27Å; Y136-Q138 PolarHBondContact O-N 3.35Å; Y136-Q138 PolarHBondContact OH-OE1 3.03Å; Y136-P177 WeakPolarHBondContact O-CB 3.38Å; Y136-I188 HydrophobicContact CD2-CB 4.09Å; Y136-I188 HydrophobicContact CD2-CG2 3.89Å; Y136-I188 HydrophobicContact CE2-CG2 3.83Å
137A97.9Very high93.2Very high0 Ų038.5 Ų38.50%021%0.213CC..EExtended strand (participates in β ladder)trans-98.880.4-174.700000111.7K174 P177 A187 I188 V189 L190A137-K174 HydrophobicContact CB-CB 4.39Å; A137-K174 HydrophobicContact CB-CD 4.49Å; A137-K174 HydrophobicContact CB-CG 4.12Å; A137-K174 WeakPolarHBondContact O-CE 3.24Å; A137-P177 HydrophobicContact CB-CG 4.07Å; A137-A187 HydrophobicContact CB-CB 4.26Å; A137-I188 PolarHBondContact N-O 3.41Å; A137-V189 HydrophobicContact CB-CG2 4.15Å; A137-V189 WeakPolarHBondContact O-CA 3.24Å; A137-L190 PolarHBondContact O-N 3.04Å
138Q95.8Very high93Very high25 Ų2547.5 Ų47.512%0.11725%0.247CC..  trans-98.4-63.2177175.3177-82.700112Y136 L147 L150 K174 L190Y136-Q138 HydrophobicContact CD1-CB 3.92Å; Y136-Q138 HydrophobicContact CE1-CB 3.47Å; Y136-Q138 VanDerWaalsContact CE1-CB 3.47Å; Y136-Q138 HydrophobicContact CE1-CG 4.27Å; Y136-Q138 PolarHBondContact O-N 3.35Å; Y136-Q138 PolarHBondContact OH-OE1 3.03Å; Q138-L147 HydrophobicContact CG-CD2 3.79Å; Q138-L150 HydrophobicContact CG-CD1 4.31Å; Q138-L150 WeakPolarHBondContact O-CD2 3.36Å; Q138-K174 PolarHBondContact O-NZ 3.04Å; Q138-L190 HydrophobicContact CB-CB 4.29Å; Q138-L190 HydrophobicContact CG-CB 4.33Å; Q138-L190 HydrophobicContact CG-CD2 3.74Å
139T97Very high93.5Very high38 Ų3842.6 Ų42.623%0.23323%0.232CC..  trans-60.1140.2-174.3-55.40000111.9K174 W175T139-K174 CarbonylContact O-C 3.57Å; T139-K174 VanDerWaalsContact O-CA 3.27Å; T139-K174 WeakPolarHBondContact O-CA 3.46Å; T139-K174 WeakPolarHBondContact O-CD 3.4Å; T139-W175 WeakPolarHBondContact CB-O 3.42Å; T139-W175 WeakPolarHBondContact CG2-O 3.46Å; T139-W175 PolarHBondContact O-N 3.09Å
140E98.7Very high94.3Very high3 Ų342.1 Ų42.11%0.01423%0.226CC..BIsolated β-bridgetrans-114.7162.8173.8-73.9171.2-168.400110.3G142 H143 L150 E151 T152 T171 S172 I173 K174E140-G142 PolarHBondContact O-N 3.27Å; E140-H143 HydrophobicContact CB-CB 4.45Å; E140-H143 PolarHBondContact N-O 2.77Å; E140-H143 CarbonylContact O-C 3.55Å; E140-H143 PolarHBondContact O-N 3.4Å; E140-H143 VanDerWaalsContact O-N 3.14Å; E140-L150 HydrophobicContact CB-CD2 3.85Å; E140-L150 HydrophobicContact CG-CD2 3.55Å; E140-L150 WeakPolarHBondContact OE2-CA 3.35Å; E140-E151 PolarHBondContact OE1-N 3.38Å; E140-E151 PolarHBondContact OE2-N 3.43Å; E140-T152 WeakPolarHBondContact OE1-CB 3.02Å; E140-T152 PolarHBondContact OE1-N 2.95Å; E140-T152 PolarHBondContact OE1-OG1 3.11Å; E140-T171 WeakPolarHBondContact CB-O 3.45Å; E140-S172 WeakPolarHBondContact CG-O 3.43Å; E140-I173 CarbonylContact C-O 3.5Å; E140-I173 WeakPolarHBondContact CA-O 3.29Å; E140-K174 HydrophobicContact CG-CD 3.72Å; E140-K174 IonicContact OE1-NZ 2.71Å; E140-K174 PolarHBondContact OE1-NZ 2.98Å
141M98.3Very high94.8Very high85 Ų8543 Ų4342%0.41923%0.229SC..SBendtrans-55.3-40177.1-176.4-175.3-64.700112V170 T171 I173 W175M141-V170 HydrophobicContact CE-CG1 4.13Å; M141-V170 HydrophobicContact SD-CG1 3.86Å; M141-T171 PolarHBondContact N-O 3.03Å; M141-I173 PolarHBondContact N-O 3Å; M141-W175 HydrophobicContact CB-CB 4.32Å; M141-W175 HydrophobicContact CE-CD2 4.21Å; M141-W175 HydrophobicContact CE-CE3 3.42Å; M141-W175 VanDerWaalsContact CE-CE3 3.42Å; M141-W175 HydrophobicContact CE-CH2 4.09Å; M141-W175 HydrophobicContact CE-CZ3 3.35Å
142G97.4Very high95.3Very high42 Ų4238.1 Ų38.143%0.43321%0.206SC..SBendtrans-85.6-17.6177.800000115.2E140 T171E140-G142 PolarHBondContact O-N 3.27Å; G142-T171 PolarHBondContact N-O 3.08Å
143H96.6Very high95.5Very high47 Ų4739 Ų3922%0.21821%0.213CC..  trans-145110.5-166-61.598.4000112.7E140 G149 L150 E151E140-H143 HydrophobicContact CB-CB 4.45Å; E140-H143 PolarHBondContact N-O 2.77Å; E140-H143 CarbonylContact O-C 3.55Å; E140-H143 PolarHBondContact O-N 3.4Å; E140-H143 VanDerWaalsContact O-N 3.14Å; H143-G149 PolarHBondContact CE1-O 3.1Å; H143-G149 PolarHBondContact ND1-O 3.31Å; H143-G149 PolarHBondContact NE2-O 2.8Å; H143-L150 HydrophobicContact CB-CD2 3.88Å; H143-E151 IonicContact CE1-OE1 2.68Å; H143-E151 PolarHBondContact CE1-OE1 3.1Å; H143-E151 IonicContact ND1-OE1 3.43Å; H143-E151 PolarHBondContact ND1-OE1 3.21Å
144G91.5Very high95.6Very high38 Ų3837.7 Ų37.739%0.39221%0.205SC..SBendtrans-113.1-59.4169.400000112.8L147G144-L147 WeakPolarHBondContact O-CD2 3.35Å
145T88.3Confident95.7Very high74 Ų7440.1 Ų40.145%0.45422%0.22SC..SBendtrans-73.3-46.3-178.9-59.60000112.6L147 V426T145-L147 PolarHBondContact O-N 3.33Å; T145-L147 VanDerWaalsContact O-N 3.07Å; T145-V426 HydrophobicContact CG2-CB 3.89Å; T145-V426 HydrophobicContact CG2-CG1 3.57Å; T145-V426 HydrophobicContact CG2-CG2 3.58Å
146H89.8Confident95.7Very high98 Ų9840.6 Ų40.645%0.45422%0.222SC..  trans-86.975.6-176.1-174-101.4000110.7R148 G149H146-R148 PolarHBondContact O-N 3.22Å; H146-R148 VanDerWaalsContact O-N 3.16Å; H146-G149 WeakPolarHBondContact ND1-CA 3.43Å; H146-G149 PolarHBondContact ND1-N 3.49Å; H146-G149 PolarHBondContact O-N 2.94Å
147L88Confident95.8Very high24 Ų2440.5 Ų40.513%0.12622%0.224CC..G310 helixtrans-58-32.6-175.3-60.6-178.8000113.6Q138 G144 T145 G149 L150 L202 M278Q138-L147 HydrophobicContact CG-CD2 3.79Å; G144-L147 WeakPolarHBondContact O-CD2 3.35Å; T145-L147 PolarHBondContact O-N 3.33Å; T145-L147 VanDerWaalsContact O-N 3.07Å; L147-G149 PolarHBondContact O-N 3.06Å; L147-G149 VanDerWaalsContact O-N 3.15Å; L147-L150 HydrophobicContact CB-CD1 4.48Å; L147-L150 HydrophobicContact CD2-CD1 4.29Å; L147-L150 WeakPolarHBondContact O-CB 3.23Å; L147-L150 WeakPolarHBondContact O-CD1 3.4Å; L147-L150 WeakPolarHBondContact O-CG 3.37Å; L147-L150 PolarHBondContact O-N 2.8Å; L147-L150 VanDerWaalsContact O-N 3.08Å; L147-L202 HydrophobicContact CB-CD1 3.74Å; L147-L202 VanDerWaalsContact O-CD1 3.29Å; L147-L202 WeakPolarHBondContact O-CD1 3.46Å; L147-M278 HydrophobicContact CD1-CE 3.83Å
148R89.3Confident95.7Very high190 Ų19043.7 Ų43.772%0.71724%0.244SC*.G310 helixtrans-61.8-22.8178-64.7-179.1-59.7172.92.9113H146 Q192H146-R148 PolarHBondContact O-N 3.22Å; H146-R148 VanDerWaalsContact O-N 3.16Å; R148-Q192 PolarHBondContact O-NE2 3.31Å
149G94.6Very high95.8Very high20 Ų2051.2 Ų51.221%0.20628%0.279CS..G310 helixtrans-84.9-4.1177.900000114.5H143 H146 L147 E151H143-G149 PolarHBondContact CE1-O 3.1Å; H143-G149 PolarHBondContact ND1-O 3.31Å; H143-G149 PolarHBondContact NE2-O 2.8Å; H146-G149 WeakPolarHBondContact ND1-CA 3.43Å; H146-G149 PolarHBondContact ND1-N 3.49Å; H146-G149 PolarHBondContact O-N 2.94Å; L147-G149 PolarHBondContact O-N 3.06Å; L147-G149 VanDerWaalsContact O-N 3.15Å; G149-E151 PolarHBondContact O-N 3.07Å
150L97.4Very high95.9Very high3 Ų352.7 Ų52.72%0.01629%0.289CS..  trans-52.7136.4176.6-68.8169.8000110.6Q138 E140 H143 L147 L190 Q192 L202Q138-L150 HydrophobicContact CG-CD1 4.31Å; Q138-L150 WeakPolarHBondContact O-CD2 3.36Å; E140-L150 HydrophobicContact CB-CD2 3.85Å; E140-L150 HydrophobicContact CG-CD2 3.55Å; E140-L150 WeakPolarHBondContact OE2-CA 3.35Å; H143-L150 HydrophobicContact CB-CD2 3.88Å; L147-L150 HydrophobicContact CB-CD1 4.48Å; L147-L150 HydrophobicContact CD2-CD1 4.29Å; L147-L150 WeakPolarHBondContact O-CB 3.23Å; L147-L150 WeakPolarHBondContact O-CD1 3.4Å; L147-L150 WeakPolarHBondContact O-CG 3.37Å; L147-L150 PolarHBondContact O-N 2.8Å; L147-L150 VanDerWaalsContact O-N 3.08Å; L150-L190 HydrophobicContact CD1-CD2 3.91Å; L150-L190 HydrophobicContact CD1-CG 4.49Å; L150-Q192 VanDerWaalsContact O-CG 3.23Å; L150-Q192 WeakPolarHBondContact O-CG 3.29Å; L150-Q192 PolarHBondContact O-NE2 2.85Å; L150-L202 HydrophobicContact CB-CD2 3.95Å; L150-L202 HydrophobicContact CD1-CD1 4.15Å; L150-L202 HydrophobicContact CD1-CD2 3.76Å; L150-L202 HydrophobicContact CG-CD2 4.4Å
151E98.7Very high95.9Very high45 Ų4556.8 Ų56.821%0.2131%0.307CS..  trans-102.6-20.2-168.4-65.6174.2-107.400112.1E140 H143 G149 T153 P168 T169 T171E140-E151 PolarHBondContact OE1-N 3.38Å; E140-E151 PolarHBondContact OE2-N 3.43Å; H143-E151 IonicContact CE1-OE1 2.68Å; H143-E151 PolarHBondContact CE1-OE1 3.1Å; H143-E151 IonicContact ND1-OE1 3.43Å; H143-E151 PolarHBondContact ND1-OE1 3.21Å; G149-E151 PolarHBondContact O-N 3.07Å; E151-T153 PolarHBondContact O-N 2.89Å; E151-P168 HydrophobicContact CB-CG 4.32Å; E151-P168 WeakPolarHBondContact O-CD 3.36Å; E151-P168 WeakPolarHBondContact O-CG 3.3Å; E151-T169 PolarHBondContact OE2-OG1 3.11Å; E151-T171 VanDerWaalsContact CD-OG1 3.29Å; E151-T171 WeakPolarHBondContact OE1-CB 3.3Å; E151-T171 PolarHBondContact OE1-OG1 3.25Å; E151-T171 PolarHBondContact OE2-OG1 3.06Å; E151-T171 VanDerWaalsContact OE2-OG1 3.08Å
152T98.8Very high95.9Very high0 Ų055 Ų550%030%0.298CS..  trans-56.8128.7174.5-58.30000109.7E140 L165 N166 S172 K174 V189 A191 Q192 M242E140-T152 WeakPolarHBondContact OE1-CB 3.02Å; E140-T152 PolarHBondContact OE1-N 2.95Å; E140-T152 PolarHBondContact OE1-OG1 3.11Å; T152-L165 HydrophobicContact CG2-CD1 4.5Å; T152-N166 WeakPolarHBondContact CA-O 3.32Å; T152-S172 PolarHBondContact OG1-O 3.2Å; T152-K174 VanDerWaalsContact OG1-CE 3.24Å; T152-K174 WeakPolarHBondContact OG1-CE 3.44Å; T152-K174 PolarHBondContact OG1-NZ 2.8Å; T152-V189 HydrophobicContact CG2-CG1 4.17Å; T152-A191 HydrophobicContact CG2-CB 3.69Å; T152-A191 CarbonylContact O-C 3.48Å; T152-A191 WeakPolarHBondContact O-CA 3.38Å; T152-A191 WeakPolarHBondContact O-CB 3.49Å; T152-Q192 PolarHBondContact O-N 3.32Å; T152-M242 HydrophobicContact CG2-CE 3.62Å
153T98.8Very high96Very high31 Ų3153 Ų5319%0.1928%0.278CS..EExtended strand (participates in β ladder)trans-109.9145.9179.957.60000111.5E151 L165 N166 I194E151-T153 PolarHBondContact O-N 2.89Å; T153-L165 WeakPolarHBondContact O-CA 3.45Å; T153-N166 PolarHBondContact N-O 3.12Å; T153-N166 VanDerWaalsContact N-O 3.07Å; T153-N166 PolarHBondContact O-N 2.94Å; T153-I194 HydrophobicContact CG2-CD1 3.89Å
154A98.8Very high96.1Very high0 Ų052.3 Ų52.30%028%0.275CS..EExtended strand (participates in β ladder)trans-122.995.7167.700000108.8F163 I164 L165 A191 Q192 I194 F205A154-F163 HydrophobicContact CB-CD1 4.44Å; A154-I164 WeakPolarHBondContact CA-O 3.38Å; A154-L165 HydrophobicContact CB-CD1 3.78Å; A154-L165 HydrophobicContact CB-CD2 4.01Å; A154-A191 HydrophobicContact CB-CB 3.94Å; A154-Q192 PolarHBondContact N-O 3.26Å; A154-I194 PolarHBondContact O-N 2.97Å; A154-F205 HydrophobicContact CB-CD1 4.32Å; A154-F205 HydrophobicContact CB-CD2 4Å; A154-F205 HydrophobicContact CB-CE1 3.78Å; A154-F205 HydrophobicContact CB-CE2 3.42Å; A154-F205 VanDerWaalsContact CB-CE2 3.42Å; A154-F205 HydrophobicContact CB-CG 4.42Å; A154-F205 HydrophobicContact CB-CZ 3.3Å
155T98.9Very high96.4Very high52 Ų5250.5 Ų50.532%0.31926%0.257SS..EExtended strand (participates in β ladder)trans-92.9124-177.7-56.90000110.2F163 I164 I194T155-F163 WeakPolarHBondContact O-CA 3.33Å; T155-I164 PolarHBondContact N-O 3.38Å; T155-I164 PolarHBondContact O-N 2.84Å; T155-I194 CarbonylContact C-O 3.54Å; T155-I194 WeakPolarHBondContact CA-O 3.43Å; T155-I194 HydrophobicContact CG2-CB 4.37Å; T155-I194 HydrophobicContact CG2-CG2 4.23Å
156Y98.8Very high96.9Very high11 Ų1148.5 Ų48.54%0.04324%0.243CC..EExtended strand (participates in β ladder)trans-77.1131.7179-172.3-114.4000111.5P158 E162 F163 I194 R249 V259 P261 G263Y156-P158 HydrophobicContact CD1-CG 4.04Å; Y156-P158 HydrophobicContact CE1-CB 4.15Å; Y156-P158 HydrophobicContact CE1-CG 4.04Å; Y156-E162 VanDerWaalsContact CD2-O 3.27Å; Y156-E162 WeakPolarHBondContact CD2-O 3.35Å; Y156-F163 AromaticContact CD2-CD1 3.94Å; Y156-F163 HydrophobicContact CD2-CD1 3.94Å; Y156-F163 HydrophobicContact CD2-CD2 4.39Å; Y156-F163 AromaticContact CD2-CE1 3.62Å; Y156-F163 HydrophobicContact CD2-CE1 3.62Å; Y156-F163 HydrophobicContact CD2-CE2 4.11Å; Y156-F163 HydrophobicContact CD2-CG 4.31Å; Y156-F163 AromaticContact CD2-CZ 3.72Å; Y156-F163 HydrophobicContact CD2-CZ 3.72Å; Y156-F163 HydrophobicContact CE2-CZ 4.44Å; Y156-F163 HydrophobicContact CG-CD1 4.43Å; Y156-F163 HydrophobicContact CG-CE1 4.01Å; Y156-F163 HydrophobicContact CG-CZ 4.4Å; Y156-I194 PolarHBondContact N-O 3.17Å; Y156-R249 HydrophobicContact CD2-CG 4.48Å; Y156-R249 HydrophobicContact CE2-CB 3.94Å; Y156-R249 HydrophobicContact CE2-CG 3.63Å; Y156-R249 WeakPolarHBondContact OH-CD 3.28Å; Y156-V259 HydrophobicContact CD1-CG1 4Å; Y156-V259 HydrophobicContact CD2-CG1 4.16Å; Y156-V259 HydrophobicContact CE1-CG1 4.2Å; Y156-V259 HydrophobicContact CE2-CG1 4.36Å; Y156-V259 HydrophobicContact CG-CG1 3.98Å; Y156-P261 WeakPolarHBondContact CE1-O 3.44Å; Y156-P261 WeakPolarHBondContact OH-CA 3.43Å; Y156-P261 PolarHBondContact OH-O 2.98Å; Y156-G263 VanDerWaalsContact CD1-CA 3.47Å
157D98.4Very high97.4Very high25 Ų2544.1 Ų44.113%0.13422%0.223CC..EExtended strand (participates in β ladder)trans-107.9104.7174.8-173.8-14.6000109.2E159 T160 Q161 E162 I164 R246D157-E159 VanDerWaalsContact C-N 3.27Å; D157-E159 PolarHBondContact O-N 3.25Å; D157-E159 PolarHBondContact OD1-N 3.42Å; D157-E159 VanDerWaalsContact OD1-N 3.09Å; D157-T160 PolarHBondContact OD2-OG1 3.43Å; D157-Q161 VanDerWaalsContact O-CA 3.31Å; D157-Q161 WeakPolarHBondContact O-CA 3.31Å; D157-Q161 PolarHBondContact O-N 3.37Å; D157-E162 PolarHBondContact N-O 3.14Å; D157-E162 PolarHBondContact O-N 3.4Å; D157-I164 HydrophobicContact CB-CD1 4.3Å; D157-I164 HydrophobicContact CB-CG1 4.5Å; D157-R246 IonicContact OD2-CZ 3.01Å; D157-R246 IonicContact OD2-NH1 3.95Å; D157-R246 PolarHBondContact OD2-NH1 2.89Å; D157-R246 IonicContact OD2-NH2 2.97Å; D157-R246 PolarHBondContact OD2-NH2 3.09Å
158P96.8Very high97.8Very high67 Ų6746.3 Ų46.344%0.43524%0.239SC..THydrogen-bonded Turntrans-67.5-23.7-179.1-20.533000114.3Y156Y156-P158 HydrophobicContact CD1-CG 4.04Å; Y156-P158 HydrophobicContact CE1-CB 4.15Å; Y156-P158 HydrophobicContact CE1-CG 4.04Å
159E97.5Very high98.3Very high182 Ų18240 Ų4085%0.8522%0.221SC*.THydrogen-bonded Turntrans-72.1-42.4-176.5-64.4-173.2172.800110.9D157D157-E159 VanDerWaalsContact C-N 3.27Å; D157-E159 PolarHBondContact O-N 3.25Å; D157-E159 PolarHBondContact OD1-N 3.42Å; D157-E159 VanDerWaalsContact OD1-N 3.09Å
160T98Very high98.5Very high70 Ų7043.7 Ų43.743%0.42924%0.24SC..THydrogen-bonded Turntrans-97.7-8.3179.168.30000113.5D157 E162 R246D157-T160 PolarHBondContact OD2-OG1 3.43Å; T160-E162 VanDerWaalsContact C-N 3.34Å; T160-E162 VanDerWaalsContact CB-OE2 3.32Å; T160-E162 WeakPolarHBondContact CB-OE2 3.29Å; T160-E162 WeakPolarHBondContact OG1-CB 3.48Å; T160-E162 WeakPolarHBondContact OG1-CG 3.21Å; T160-E162 PolarHBondContact OG1-OE2 3.33Å; T160-R246 PolarHBondContact OG1-NH1 3.21Å; T160-R246 VanDerWaalsContact OG1-NH1 3.11Å
161Q98.4Very high98.5Very high88 Ų8846.4 Ų46.441%0.41126%0.257SS..THydrogen-bonded Turntrans54.648.6-171.6-59.9-178.653.100112.1D157 R249D157-Q161 VanDerWaalsContact O-CA 3.31Å; D157-Q161 WeakPolarHBondContact O-CA 3.31Å; D157-Q161 PolarHBondContact O-N 3.37Å; Q161-R249 VanDerWaalsContact O-CB 3.26Å; Q161-R249 WeakPolarHBondContact O-CB 3.17Å; Q161-R249 PolarHBondContact O-N 3.42Å
162E98.8Very high98.6Very high49 Ų4944.3 Ų44.323%0.22925%0.247CC..EExtended strand (participates in β ladder)trans-127.1162.2-178.9-65.9176.2131.800111.5Y156 D157 T160 R246 I247Y156-E162 VanDerWaalsContact CD2-O 3.27Å; Y156-E162 WeakPolarHBondContact CD2-O 3.35Å; D157-E162 PolarHBondContact N-O 3.14Å; D157-E162 PolarHBondContact O-N 3.4Å; T160-E162 VanDerWaalsContact C-N 3.34Å; T160-E162 VanDerWaalsContact CB-OE2 3.32Å; T160-E162 WeakPolarHBondContact CB-OE2 3.29Å; T160-E162 WeakPolarHBondContact OG1-CB 3.48Å; T160-E162 WeakPolarHBondContact OG1-CG 3.21Å; T160-E162 PolarHBondContact OG1-OE2 3.33Å; E162-R246 WeakPolarHBondContact OE2-CD 3.24Å; E162-R246 IonicContact OE2-CZ 2.7Å; E162-R246 IonicContact OE2-NH1 3Å; E162-R246 PolarHBondContact OE2-NH1 3.22Å; E162-I247 CarbonylContact C-O 3.46Å; E162-I247 WeakPolarHBondContact CA-O 3.48Å; E162-I247 VanDerWaalsContact CB-O 3.26Å; E162-I247 WeakPolarHBondContact CB-O 3.33Å
163F98.9Very high98.6Very high0 Ų045.4 Ų45.40%025%0.252CS..EExtended strand (participates in β ladder)trans-102.4137.4163.2-69.9-78.5000110A154 T155 Y156 L165 L193 F205 R246 I247 R249 M252 V259A154-F163 HydrophobicContact CB-CD1 4.44Å; T155-F163 WeakPolarHBondContact O-CA 3.33Å; Y156-F163 AromaticContact CD2-CD1 3.94Å; Y156-F163 HydrophobicContact CD2-CD1 3.94Å; Y156-F163 HydrophobicContact CD2-CD2 4.39Å; Y156-F163 AromaticContact CD2-CE1 3.62Å; Y156-F163 HydrophobicContact CD2-CE1 3.62Å; Y156-F163 HydrophobicContact CD2-CE2 4.11Å; Y156-F163 HydrophobicContact CD2-CG 4.31Å; Y156-F163 AromaticContact CD2-CZ 3.72Å; Y156-F163 HydrophobicContact CD2-CZ 3.72Å; Y156-F163 HydrophobicContact CE2-CZ 4.44Å; Y156-F163 HydrophobicContact CG-CD1 4.43Å; Y156-F163 HydrophobicContact CG-CE1 4.01Å; Y156-F163 HydrophobicContact CG-CZ 4.4Å; F163-L165 HydrophobicContact CB-CD2 3.75Å; F163-L193 HydrophobicContact CD1-CD1 4.24Å; F163-L193 HydrophobicContact CE1-CD1 3.42Å; F163-L193 VanDerWaalsContact CE1-CD1 3.42Å; F163-L193 HydrophobicContact CZ-CD1 4.14Å; F163-F205 HydrophobicContact CB-CE1 4.49Å; F163-F205 AromaticContact CD1-CE1 3.82Å; F163-F205 HydrophobicContact CD1-CE1 3.82Å; F163-F205 HydrophobicContact CD2-CD1 4.11Å; F163-F205 AromaticContact CD2-CE1 3.9Å; F163-F205 HydrophobicContact CD2-CE1 3.9Å; F163-F205 AromaticContact CE1-CE1 3.92Å; F163-F205 HydrophobicContact CE1-CE1 3.92Å; F163-F205 HydrophobicContact CE2-CD1 4.47Å; F163-F205 AromaticContact CE2-CE1 4Å; F163-F205 HydrophobicContact CE2-CE1 4Å; F163-F205 HydrophobicContact CG-CD1 4.19Å; F163-F205 AromaticContact CG-CE1 3.81Å; F163-F205 HydrophobicContact CG-CE1 3.81Å; F163-F205 HydrophobicContact CZ-CE1 4.01Å; F163-R246 WeakPolarHBondContact O-CA 3.18Å; F163-I247 HydrophobicContact CB-CD1 4.35Å; F163-I247 HydrophobicContact CB-CG1 3.87Å; F163-I247 PolarHBondContact N-O 3.04Å; F163-I247 PolarHBondContact O-N 2.97Å; F163-R249 HydrophobicContact CE2-CB 4.35Å; F163-R249 HydrophobicContact CE2-CG 4.02Å; F163-R249 WeakPolarHBondContact CE2-O 3.16Å; F163-M252 HydrophobicContact CD2-CB 4.28Å; F163-M252 HydrophobicContact CE1-SD 4.48Å; F163-M252 HydrophobicContact CE2-CB 3.59Å; F163-M252 HydrophobicContact CE2-CG 4.41Å; F163-M252 HydrophobicContact CE2-SD 4.14Å; F163-M252 HydrophobicContact CZ-CB 4.11Å; F163-M252 HydrophobicContact CZ-CG 4.46Å; F163-M252 HydrophobicContact CZ-SD 3.66Å; F163-V259 HydrophobicContact CE1-CG2 4.5Å; F163-V259 HydrophobicContact CZ-CB 4.02Å; F163-V259 HydrophobicContact CZ-CG1 4.23Å; F163-V259 HydrophobicContact CZ-CG2 4.05Å
164I98.9Very high98.6Very high32 Ų3243.9 Ų43.916%0.16424%0.243CC..EExtended strand (participates in β ladder)trans-100.3108.1173.1-52.4173.4000107.7A154 T155 D157 N244 R246A154-I164 WeakPolarHBondContact CA-O 3.38Å; T155-I164 PolarHBondContact N-O 3.38Å; T155-I164 PolarHBondContact O-N 2.84Å; D157-I164 HydrophobicContact CB-CD1 4.3Å; D157-I164 HydrophobicContact CB-CG1 4.5Å; I164-N244 HydrophobicContact CG2-CB 3.84Å; I164-R246 HydrophobicContact CG1-CG 4.2Å
165L98.9Very high98.6Very high0 Ų047 Ų470%026%0.255CS..EExtended strand (participates in β ladder)trans-90.4125.2178.8-81.6-72.8000109.3T152 T153 A154 F163 V189 A191 V207 M242 N244 Y245 I247T152-L165 HydrophobicContact CG2-CD1 4.5Å; T153-L165 WeakPolarHBondContact O-CA 3.45Å; A154-L165 HydrophobicContact CB-CD1 3.78Å; A154-L165 HydrophobicContact CB-CD2 4.01Å; F163-L165 HydrophobicContact CB-CD2 3.75Å; L165-V189 HydrophobicContact CD1-CG1 4.33Å; L165-A191 HydrophobicContact CD1-CB 3.94Å; L165-V207 HydrophobicContact CG-CG2 4.31Å; L165-M242 HydrophobicContact CB-CB 4.44Å; L165-M242 HydrophobicContact CB-SD 3.87Å; L165-M242 HydrophobicContact CG-SD 4.38Å; L165-N244 CarbonylContact O-C 3.33Å; L165-N244 WeakPolarHBondContact O-CA 3.46Å; L165-N244 PolarHBondContact O-N 3.42Å; L165-Y245 PolarHBondContact N-O 3.13Å; L165-Y245 PolarHBondContact O-N 3.32Å; L165-I247 HydrophobicContact CD2-CD1 3.61Å; L165-I247 HydrophobicContact CD2-CG1 3.86Å; L165-I247 HydrophobicContact CG-CD1 4.36Å
166N98.9Very high98.5Very high32 Ų3250.8 Ų50.817%0.17126%0.264CS..EExtended strand (participates in β ladder)trans-137.7140.5-176.4-169.453.1000112.5T152 T153 P168 M242 N244T152-N166 WeakPolarHBondContact CA-O 3.32Å; T153-N166 PolarHBondContact N-O 3.12Å; T153-N166 VanDerWaalsContact N-O 3.07Å; T153-N166 PolarHBondContact O-N 2.94Å; N166-P168 VanDerWaalsContact O-CD 3.28Å; N166-P168 WeakPolarHBondContact O-CD 3.23Å; N166-M242 CarbonylContact C-O 3.6Å; N166-M242 WeakPolarHBondContact CA-O 3.49Å; N166-M242 PolarHBondContact OD1-O 3.14Å; N166-N244 PolarHBondContact OD1-N 3.39Å
167S98.8Very high98.5Very high6 Ų650.7 Ų50.74%0.04226%0.264CS..  trans-102.692.2169.5-64.70000108.8T169 S172 M242S167-T169 VanDerWaalsContact C-N 3.26Å; S167-T169 PolarHBondContact O-N 3.5Å; S167-S172 WeakPolarHBondContact CA-OG 3.46Å; S167-S172 WeakPolarHBondContact CB-OG 3.31Å; S167-M242 PolarHBondContact N-O 3.32Å; S167-M242 PolarHBondContact OG-N 3.48Å; S167-M242 VanDerWaalsContact OG-N 3.15Å
168P98.4Very high98.4Very high69 Ų6949.9 Ų49.945%0.44826%0.262SS..  trans-67.3-20.9-169.425.5-37.6000115.2E151 N166 S172E151-P168 HydrophobicContact CB-CG 4.32Å; E151-P168 WeakPolarHBondContact O-CD 3.36Å; E151-P168 WeakPolarHBondContact O-CG 3.3Å; N166-P168 VanDerWaalsContact O-CD 3.28Å; N166-P168 WeakPolarHBondContact O-CD 3.23Å; P168-S172 WeakPolarHBondContact CD-OG 3.33Å; P168-S172 VanDerWaalsContact N-OG 3.08Å
169T98.8Very high98.4Very high57 Ų5746.7 Ų46.735%0.3524%0.242SC..SBendtrans-141.7170.1-170.1600000109.1E151 S167 T171 S172E151-T169 PolarHBondContact OE2-OG1 3.11Å; S167-T169 VanDerWaalsContact C-N 3.26Å; S167-T169 PolarHBondContact O-N 3.5Å; T169-T171 VanDerWaalsContact C-N 3.28Å; T169-T171 PolarHBondContact OG1-OG1 2.94Å; T169-S172 PolarHBondContact N-OG 3.06Å; T169-S172 PolarHBondContact O-N 3.47Å; T169-S172 PolarHBondContact O-OG 2.93Å; T169-S172 WeakPolarHBondContact OG1-CB 3.49Å; T169-S172 PolarHBondContact OG1-N 2.62Å; T169-S172 VanDerWaalsContact OG1-N 3.08Å; T169-S172 PolarHBondContact OG1-OG 3.47Å
170V98.7Very high98.4Very high99 Ų9938 Ų3860%0.620%0.201SC*.SBendtrans-66.4-36.1170.6175.40000110.7M141 S172 I173M141-V170 HydrophobicContact CE-CG1 4.13Å; M141-V170 HydrophobicContact SD-CG1 3.86Å; V170-S172 PolarHBondContact O-N 3.32Å; V170-I173 HydrophobicContact CG1-CD1 4.4Å; V170-I173 WeakPolarHBondContact O-CB 3.4Å; V170-I173 VanDerWaalsContact O-CG1 3.31Å; V170-I173 WeakPolarHBondContact O-CG1 3.31Å; V170-I173 PolarHBondContact O-N 3.39Å
171T98.7Very high98.5Very high60 Ų6034.7 Ų34.737%0.36818%0.181SC..THydrogen-bonded Turntrans-68.2-23.7179.948.10000113E140 M141 G142 E151 T169 I173E140-T171 WeakPolarHBondContact CB-O 3.45Å; M141-T171 PolarHBondContact N-O 3.03Å; G142-T171 PolarHBondContact N-O 3.08Å; E151-T171 VanDerWaalsContact CD-OG1 3.29Å; E151-T171 WeakPolarHBondContact OE1-CB 3.3Å; E151-T171 PolarHBondContact OE1-OG1 3.25Å; E151-T171 PolarHBondContact OE2-OG1 3.06Å; E151-T171 VanDerWaalsContact OE2-OG1 3.08Å; T169-T171 VanDerWaalsContact C-N 3.28Å; T169-T171 PolarHBondContact OG1-OG1 2.94Å; T171-I173 VanDerWaalsContact C-N 3.33Å
172S98.8Very high98.5Very high0 Ų035.6 Ų35.60%018%0.183CC..THydrogen-bonded Turntrans-81.6-6.6176.377.20000115E140 T152 S167 P168 T169 V170 K174E140-S172 WeakPolarHBondContact CG-O 3.43Å; T152-S172 PolarHBondContact OG1-O 3.2Å; S167-S172 WeakPolarHBondContact CA-OG 3.46Å; S167-S172 WeakPolarHBondContact CB-OG 3.31Å; P168-S172 WeakPolarHBondContact CD-OG 3.33Å; P168-S172 VanDerWaalsContact N-OG 3.08Å; T169-S172 PolarHBondContact N-OG 3.06Å; T169-S172 PolarHBondContact O-N 3.47Å; T169-S172 PolarHBondContact O-OG 2.93Å; T169-S172 WeakPolarHBondContact OG1-CB 3.49Å; T169-S172 PolarHBondContact OG1-N 2.62Å; T169-S172 VanDerWaalsContact OG1-N 3.08Å; T169-S172 PolarHBondContact OG1-OG 3.47Å; V170-S172 PolarHBondContact O-N 3.32Å; S172-K174 PolarHBondContact O-N 3.42Å
173I98.9Very high98.4Very high23 Ų2333.6 Ų33.612%0.11817%0.174CC..SBendtrans-61126.4174-63.3179.3000107.7E140 M141 V170 T171 W175 K241E140-I173 CarbonylContact C-O 3.5Å; E140-I173 WeakPolarHBondContact CA-O 3.29Å; M141-I173 PolarHBondContact N-O 3Å; V170-I173 HydrophobicContact CG1-CD1 4.4Å; V170-I173 WeakPolarHBondContact O-CB 3.4Å; V170-I173 VanDerWaalsContact O-CG1 3.31Å; V170-I173 WeakPolarHBondContact O-CG1 3.31Å; V170-I173 PolarHBondContact O-N 3.39Å; T171-I173 VanDerWaalsContact C-N 3.33Å; I173-W175 HydrophobicContact CG2-CE3 4.48Å; I173-W175 PolarHBondContact O-N 2.69Å; I173-K241 HydrophobicContact CD1-CB 4.17Å; I173-K241 HydrophobicContact CD1-CD 4.21Å; I173-K241 HydrophobicContact CD1-CG 4.35Å; I173-K241 HydrophobicContact CG1-CB 3.93Å; I173-K241 HydrophobicContact CG1-CD 4.48Å; I173-K241 HydrophobicContact CG1-CG 4.12Å; I173-K241 HydrophobicContact CG2-CB 4.39Å
174K98.9Very high98.4Very high0 Ų033.6 Ų33.60%017%0.174CC..EExtended strand (participates in β ladder)trans-59.1138.7173.9-61.9-59.8-176.8-164.70108.7A137 Q138 T139 E140 T152 S172 L190 Y239 L240A137-K174 HydrophobicContact CB-CB 4.39Å; A137-K174 HydrophobicContact CB-CD 4.49Å; A137-K174 HydrophobicContact CB-CG 4.12Å; A137-K174 WeakPolarHBondContact O-CE 3.24Å; Q138-K174 PolarHBondContact O-NZ 3.04Å; T139-K174 CarbonylContact O-C 3.57Å; T139-K174 VanDerWaalsContact O-CA 3.27Å; T139-K174 WeakPolarHBondContact O-CA 3.46Å; T139-K174 WeakPolarHBondContact O-CD 3.4Å; E140-K174 HydrophobicContact CG-CD 3.72Å; E140-K174 IonicContact OE1-NZ 2.71Å; E140-K174 PolarHBondContact OE1-NZ 2.98Å; T152-K174 VanDerWaalsContact OG1-CE 3.24Å; T152-K174 WeakPolarHBondContact OG1-CE 3.44Å; T152-K174 PolarHBondContact OG1-NZ 2.8Å; S172-K174 PolarHBondContact O-N 3.42Å; K174-L190 WeakPolarHBondContact CE-O 3.45Å; K174-L190 PolarHBondContact NZ-O 3.3Å; K174-Y239 CarbonylContact O-C 3.55Å; K174-Y239 WeakPolarHBondContact O-CA 3Å; K174-Y239 WeakPolarHBondContact O-CB 3.28Å; K174-L240 HydrophobicContact CB-CB 4.04Å; K174-L240 HydrophobicContact CG-CB 4.49Å; K174-L240 PolarHBondContact N-O 3.1Å; K174-L240 PolarHBondContact O-N 3.41Å
175W98.7Very high98.4Very high64 Ų6432.7 Ų32.724%0.24217%0.17CC..EExtended strand (participates in β ladder)trans-148134.9-173.6-160.3-80.2000110.4T139 M141 I173 P177 I226 Y239T139-W175 WeakPolarHBondContact CB-O 3.42Å; T139-W175 WeakPolarHBondContact CG2-O 3.46Å; T139-W175 PolarHBondContact O-N 3.09Å; M141-W175 HydrophobicContact CB-CB 4.32Å; M141-W175 HydrophobicContact CE-CD2 4.21Å; M141-W175 HydrophobicContact CE-CE3 3.42Å; M141-W175 VanDerWaalsContact CE-CE3 3.42Å; M141-W175 HydrophobicContact CE-CH2 4.09Å; M141-W175 HydrophobicContact CE-CZ3 3.35Å; I173-W175 HydrophobicContact CG2-CE3 4.48Å; I173-W175 PolarHBondContact O-N 2.69Å; W175-P177 VanDerWaalsContact O-CD 3.28Å; W175-P177 WeakPolarHBondContact O-CD 3.36Å; W175-I226 HydrophobicContact CD2-CG2 3.84Å; W175-I226 VanDerWaalsContact CE2-CG2 3.49Å; W175-I226 HydrophobicContact CE3-CG2 4.35Å; W175-I226 HydrophobicContact CG-CG2 4.25Å; W175-I226 HydrophobicContact CH2-CB 4.4Å; W175-I226 HydrophobicContact CH2-CG2 4.27Å; W175-I226 HydrophobicContact CZ2-CB 3.67Å; W175-I226 HydrophobicContact CZ2-CG2 3.75Å; W175-Y239 HydrophobicContact CH2-CD1 4.48Å; W175-Y239 HydrophobicContact CZ3-CD1 4.16Å; W175-Y239 HydrophobicContact CZ3-CG 4.23Å
176W98.2Very high98.3Very high133 Ų13333.1 Ų33.150%0.50417%0.172SC..  trans94.4-26.1-176.2-60.3108.6000120G178 I226 K229 N237 G238W176-G178 PolarHBondContact O-N 3.02Å; W176-G178 VanDerWaalsContact O-N 3.11Å; W176-I226 HydrophobicContact CD2-CD1 3.84Å; W176-I226 HydrophobicContact CE3-CD1 3.21Å; W176-I226 HydrophobicContact CH2-CD1 3.94Å; W176-I226 HydrophobicContact CZ2-CD1 4.48Å; W176-I226 HydrophobicContact CZ3-CD1 3.28Å; W176-K229 HydrophobicContact CZ3-CD 3.87Å; W176-K229 HydrophobicContact CZ3-CG 4.31Å; W176-N237 WeakPolarHBondContact O-CB 2.92Å; W176-N237 PolarHBondContact O-ND2 3.24Å; W176-G238 PolarHBondContact N-O 3.09Å
177P97.8Very high98.3Very high8 Ų831.6 Ų31.65%0.05216%0.163CC..  trans-52.2122.5-173.7-30.135000113.2Y136 A137 W175 L180 N237 G238Y136-P177 WeakPolarHBondContact O-CB 3.38Å; A137-P177 HydrophobicContact CB-CG 4.07Å; W175-P177 VanDerWaalsContact O-CD 3.28Å; W175-P177 WeakPolarHBondContact O-CD 3.36Å; P177-L180 HydrophobicContact CB-CB 3.83Å; P177-L180 HydrophobicContact CB-CD2 3.74Å; P177-L180 HydrophobicContact CB-CG 4.41Å; P177-L180 HydrophobicContact CG-CD2 3.76Å; P177-L180 WeakPolarHBondContact O-CB 3.36Å; P177-L180 PolarHBondContact O-N 3.18Å; P177-N237 WeakPolarHBondContact O-CA 3.26Å; P177-G238 PolarHBondContact O-N 3.08Å
178G96.5Very high98.3Very high9 Ų931.3 Ų31.39%0.09316%0.161CC..THydrogen-bonded Turntrans-66.214117700000111.4L102 T135 W176 L180L102-G178 VanDerWaalsContact CD1-N 3.33Å; L102-G178 WeakPolarHBondContact CD1-O 3.49Å; T135-G178 WeakPolarHBondContact CB-O 3.26Å; T135-G178 PolarHBondContact OG1-O 2.95Å; W176-G178 PolarHBondContact O-N 3.02Å; W176-G178 VanDerWaalsContact O-N 3.11Å; G178-L180 PolarHBondContact O-N 3.48Å
179G97.1Very high98.3Very high0 Ų028 Ų280%014%0.14CC..THydrogen-bonded Turntrans80.7-15.9-174.400000114.2P99 G181 T183 S184 D236P99-G179 WeakPolarHBondContact O-CA 3.33Å; G179-G181 VanDerWaalsContact C-N 3.35Å; G179-G181 PolarHBondContact O-N 3.24Å; G179-T183 CarbonylContact O-C 3.6Å; G179-T183 WeakPolarHBondContact O-CB 3.33Å; G179-T183 PolarHBondContact O-N 2.94Å; G179-T183 VanDerWaalsContact O-N 3.16Å; G179-S184 WeakPolarHBondContact O-CB 3.38Å; G179-S184 PolarHBondContact O-N 3.34Å; G179-S184 PolarHBondContact O-OG 3.34Å; G179-D236 WeakPolarHBondContact CA-OD1 3.4Å; G179-D236 PolarHBondContact N-O 3.44Å; G179-D236 PolarHBondContact N-OD1 3.3Å; G179-D236 VanDerWaalsContact O-OD2 3.14Å
180L98.6Very high98.3Very high0 Ų026 Ų260%013%0.127CC..THydrogen-bonded Turntrans-70.3-32.5-175.6-179.162.8000112.6T135 P177 G178 K182 A187 I209 V223 L240T135-L180 HydrophobicContact CG2-CB 3.92Å; T135-L180 HydrophobicContact CG2-CD1 3.78Å; T135-L180 HydrophobicContact CG2-CG 4.43Å; P177-L180 HydrophobicContact CB-CB 3.83Å; P177-L180 HydrophobicContact CB-CD2 3.74Å; P177-L180 HydrophobicContact CB-CG 4.41Å; P177-L180 HydrophobicContact CG-CD2 3.76Å; P177-L180 WeakPolarHBondContact O-CB 3.36Å; P177-L180 PolarHBondContact O-N 3.18Å; G178-L180 PolarHBondContact O-N 3.48Å; L180-K182 PolarHBondContact O-N 3.08Å; L180-A187 HydrophobicContact CD1-CB 4.39Å; L180-I209 HydrophobicContact CD1-CD1 3.56Å; L180-V223 HydrophobicContact CD1-CG2 4.3Å; L180-V223 HydrophobicContact CG-CG2 4.3Å; L180-V223 WeakPolarHBondContact O-CG2 3.02Å; L180-L240 HydrophobicContact CD1-CB 4.11Å; L180-L240 HydrophobicContact CD1-CD2 4.29Å; L180-L240 HydrophobicContact CD2-CB 3.76Å; L180-L240 HydrophobicContact CG-CB 4.29Å
181G98.4Very high98.3Very high0 Ų021.3 Ų21.30%010%0.099CC..THydrogen-bonded Turntrans-63.3-45.6-169.100000112.8G179 R210 G224 D236G179-G181 VanDerWaalsContact C-N 3.35Å; G179-G181 PolarHBondContact O-N 3.24Å; G181-R210 PolarHBondContact O-NH2 2.93Å; G181-G224 WeakPolarHBondContact CA-O 3.37Å; G181-D236 PolarHBondContact N-O 2.92Å; G181-D236 PolarHBondContact N-OD2 3.33Å
182K98.3Very high98.2Very high106 Ų10619.8 Ų19.846%0.4619%0.087SC..THydrogen-bonded Turntrans-143.7-19.3-170.5-61-63.5172.2-177.50113.9Y60 L180 H215 D236Y60-K182 HydrophobicContact CE1-CB 4.18Å; Y60-K182 VanDerWaalsContact OH-CB 3.28Å; Y60-K182 WeakPolarHBondContact OH-CB 3.26Å; L180-K182 PolarHBondContact O-N 3.08Å; K182-H215 PolarHBondContact O-CD2 2.8Å; K182-H215 PolarHBondContact O-NE2 2.73Å; K182-D236 WeakPolarHBondContact CA-OD2 3.3Å; K182-D236 HydrophobicContact CB-CB 4.27Å; K182-D236 HydrophobicContact CG-CB 4.45Å; K182-D236 PolarHBondContact N-OD2 3.17Å
183T97.8Very high98.2Very high8 Ų819.8 Ų19.85%0.0499%0.087CC..THydrogen-bonded Turntrans-94-49.2-169.2-49.50000113.2Y60 P99 V100 I133 G179 H215 D236Y60-T183 WeakPolarHBondContact CE2-OG1 3.27Å; Y60-T183 PolarHBondContact OH-OG1 3.31Å; P99-T183 HydrophobicContact CB-CG2 3.8Å; P99-T183 VanDerWaalsContact CB-OG1 3.31Å; P99-T183 WeakPolarHBondContact CB-OG1 3.35Å; V100-T183 HydrophobicContact CG1-CG2 4.12Å; I133-T183 HydrophobicContact CD1-CG2 4.43Å; I133-T183 HydrophobicContact CG2-CG2 4.13Å; G179-T183 CarbonylContact O-C 3.6Å; G179-T183 WeakPolarHBondContact O-CB 3.33Å; G179-T183 PolarHBondContact O-N 2.94Å; G179-T183 VanDerWaalsContact O-N 3.16Å; T183-H215 PolarHBondContact O-CE1 3.37Å; T183-H215 VanDerWaalsContact O-CE1 3.22Å; T183-H215 PolarHBondContact O-NE2 3.46Å; T183-D236 WeakPolarHBondContact CB-OD2 3.21Å; T183-D236 PolarHBondContact N-OD2 2.71Å; T183-D236 PolarHBondContact OG1-OD1 2.92Å; T183-D236 VanDerWaalsContact OG1-OD1 3.06Å; T183-D236 PolarHBondContact OG1-OD2 2.94Å
184S98.3Very high98.2Very high0 Ų020.7 Ų20.70%09%0.092CC..  trans-77137.3-171.6-63.90000112.3I133 G134 T135 G179 R210I133-S184 CarbonylContact O-C 3.49Å; I133-S184 WeakPolarHBondContact O-CA 3.35Å; I133-S184 VanDerWaalsContact O-CB 3.26Å; I133-S184 WeakPolarHBondContact O-CB 3.48Å; G134-S184 PolarHBondContact O-OG 3.15Å; T135-S184 WeakPolarHBondContact CB-OG 3.42Å; G179-S184 WeakPolarHBondContact O-CB 3.38Å; G179-S184 PolarHBondContact O-N 3.34Å; G179-S184 PolarHBondContact O-OG 3.34Å; S184-R210 VanDerWaalsContact O-CD 3.26Å; S184-R210 WeakPolarHBondContact O-CD 3.41Å; S184-R210 PolarHBondContact O-NE 2.93Å
185N98.4Very high98.2Very high12 Ų1220.7 Ų20.76%0.0649%0.092CC..SBendtrans-100.5-14.4170.358.425.7000112.5Q131 I133 I209 R210Q131-N185 PolarHBondContact O-ND2 2.85Å; I133-N185 PolarHBondContact N-OD1 3.49Å; I133-N185 PolarHBondContact O-N 3.3Å; I133-N185 PolarHBondContact O-OD1 2.9Å; N185-I209 VanDerWaalsContact C-CG1 3.49Å; N185-I209 VanDerWaalsContact O-CG1 3.28Å; N185-I209 WeakPolarHBondContact O-CG1 3.2Å; N185-I209 PolarHBondContact O-N 2.91Å; N185-R210 HydrophobicContact CB-CB 4.05Å; N185-R210 PolarHBondContact O-N 2.71Å
186H98.7Very high98.1Very high9 Ų923.6 Ų23.64%0.04211%0.107CC..EExtended strand (participates in β ladder)trans-129.4152.5171.9-69.168.5000110.6F107 W123 I132 I133 G134 T135 V207F107-H186 HydrophobicContact CE2-CB 4.3Å; F107-H186 HydrophobicContact CZ-CB 4.07Å; W123-H186 AromaticContact CH2-NE2 3.9Å; W123-H186 AromaticContact CZ3-CD2 3.77Å; W123-H186 AromaticContact CZ3-NE2 3.49Å; W123-H186 WeakPolarHBondContact CZ3-NE2 3.17Å; I132-H186 HydrophobicContact CG2-CB 3.87Å; I133-H186 PolarHBondContact O-N 3Å; I133-H186 VanDerWaalsContact O-N 3.17Å; G134-H186 CarbonylContact C-O 3.52Å; G134-H186 VanDerWaalsContact CA-O 3.28Å; G134-H186 WeakPolarHBondContact CA-O 3.32Å; T135-H186 PolarHBondContact N-O 3.34Å; T135-H186 VanDerWaalsContact N-O 3.14Å; H186-V207 CarbonylContact C-O 3.56Å; H186-V207 WeakPolarHBondContact CA-O 3.34Å
187A98.7Very high97.9Very high0 Ų021.2 Ų21.20%012%0.123CC..EExtended strand (participates in β ladder)trans-135.6140171.800000110.1T135 A137 L180 V189 V207 I209T135-A187 HydrophobicContact CG2-CB 3.78Å; T135-A187 WeakPolarHBondContact O-CA 3.48Å; A137-A187 HydrophobicContact CB-CB 4.26Å; L180-A187 HydrophobicContact CD1-CB 4.39Å; A187-V189 HydrophobicContact CB-CG2 4.15Å; A187-V189 PolarHBondContact O-N 3Å; A187-V207 PolarHBondContact N-O 3Å; A187-V207 PolarHBondContact O-N 2.93Å; A187-I209 HydrophobicContact CB-CD1 4.31Å; A187-I209 HydrophobicContact CB-CG2 4.47Å
188I98.4Very high97.9Very high0 Ų026.7 Ų26.70%015%0.146CC..EExtended strand (participates in β ladder)trans-81.2110.2159.2-73.4165.2000106.9F107 T110 L111 T135 Y136 A137 A204 F205 I206 L253F107-I188 HydrophobicContact CD2-CB 4.26Å; F107-I188 HydrophobicContact CD2-CD1 3.57Å; F107-I188 HydrophobicContact CD2-CG1 3.61Å; F107-I188 HydrophobicContact CE2-CB 4.46Å; F107-I188 HydrophobicContact CE2-CD1 3.93Å; F107-I188 HydrophobicContact CE2-CG1 3.6Å; F107-I188 HydrophobicContact CG-CD1 4.15Å; T110-I188 HydrophobicContact CG2-CD1 3.71Å; T110-I188 HydrophobicContact CG2-CG2 4.38Å; L111-I188 HydrophobicContact CD2-CD1 4.46Å; L111-I188 HydrophobicContact CG-CD1 4.38Å; T135-I188 PolarHBondContact O-N 3.32Å; Y136-I188 HydrophobicContact CD2-CB 4.09Å; Y136-I188 HydrophobicContact CD2-CG2 3.89Å; Y136-I188 HydrophobicContact CE2-CG2 3.83Å; A137-I188 PolarHBondContact N-O 3.41Å; I188-A204 HydrophobicContact CG2-CB 3.8Å; I188-F205 CarbonylContact C-O 3.53Å; I188-F205 VanDerWaalsContact CA-O 3.3Å; I188-F205 WeakPolarHBondContact CA-O 3.45Å; I188-I206 HydrophobicContact CG1-CG1 4.2Å; I188-L253 HydrophobicContact CD1-CD1 4.28Å; I188-L253 HydrophobicContact CG2-CD1 4.5Å
189V98.6Very high97.9Very high0 Ų029.5 Ų29.50%016%0.164CC..EExtended strand (participates in β ladder)trans-96.4129179.9177.90000109.1A137 T152 L165 A187 A204 F205 V207 L240 M242A137-V189 HydrophobicContact CB-CG2 4.15Å; A137-V189 WeakPolarHBondContact O-CA 3.24Å; T152-V189 HydrophobicContact CG2-CG1 4.17Å; L165-V189 HydrophobicContact CD1-CG1 4.33Å; A187-V189 HydrophobicContact CB-CG2 4.15Å; A187-V189 PolarHBondContact O-N 3Å; V189-A204 WeakPolarHBondContact O-CA 3.43Å; V189-F205 PolarHBondContact N-O 3.15Å; V189-F205 PolarHBondContact O-N 3.38Å; V189-V207 HydrophobicContact CB-CG2 3.85Å; V189-V207 HydrophobicContact CG2-CB 3.9Å; V189-V207 HydrophobicContact CG2-CG2 3.54Å; V189-L240 HydrophobicContact CG2-CD2 4Å; V189-M242 HydrophobicContact CG1-CE 3.86Å; V189-M242 HydrophobicContact CG1-SD 4.21Å; V189-M242 HydrophobicContact CG2-SD 4.21Å
190L97.6Very high97.8Very high16 Ų1633 Ų338%0.08418%0.177CC..EExtended strand (participates in β ladder)trans-91123170.4-159.674.5000109.8A137 Q138 L150 K174 L202 H203 A204A137-L190 PolarHBondContact O-N 3.04Å; Q138-L190 HydrophobicContact CB-CB 4.29Å; Q138-L190 HydrophobicContact CG-CB 4.33Å; Q138-L190 HydrophobicContact CG-CD2 3.74Å; L150-L190 HydrophobicContact CD1-CD2 3.91Å; L150-L190 HydrophobicContact CD1-CG 4.49Å; K174-L190 WeakPolarHBondContact CE-O 3.45Å; K174-L190 PolarHBondContact NZ-O 3.3Å; L190-L202 HydrophobicContact CD1-CB 4.21Å; L190-L202 HydrophobicContact CD2-CB 4.03Å; L190-L202 HydrophobicContact CD2-CD1 3.75Å; L190-L202 HydrophobicContact CD2-CD2 4.31Å; L190-L202 HydrophobicContact CD2-CG 4.24Å; L190-L202 HydrophobicContact CG-CB 4Å; L190-L202 HydrophobicContact CG-CD2 4.31Å; L190-L202 HydrophobicContact CG-CG 4.5Å; L190-H203 WeakPolarHBondContact CA-O 3.49Å; L190-H203 WeakPolarHBondContact CD1-O 3.26Å; L190-A204 HydrophobicContact CD1-CB 4.28Å
191A98.3Very high97.6Very high0 Ų034 Ų340%019%0.188CC..EExtended strand (participates in β ladder)trans-143157-175.500000112T152 A154 L165 L193 L202 H203 F205T152-A191 HydrophobicContact CG2-CB 3.69Å; T152-A191 CarbonylContact O-C 3.48Å; T152-A191 WeakPolarHBondContact O-CA 3.38Å; T152-A191 WeakPolarHBondContact O-CB 3.49Å; A154-A191 HydrophobicContact CB-CB 3.94Å; L165-A191 HydrophobicContact CD1-CB 3.94Å; A191-L193 PolarHBondContact O-N 3.39Å; A191-L202 WeakPolarHBondContact O-CA 3.34Å; A191-H203 PolarHBondContact N-O 3.15Å; A191-H203 PolarHBondContact O-N 3.39Å; A191-F205 HydrophobicContact CB-CD2 4.15Å; A191-F205 HydrophobicContact CB-CE2 4.06Å
192Q98.1Very high97.4Very high27 Ų2735.7 Ų35.713%0.12620%0.197CC..EExtended strand (participates in β ladder)trans-68.3111.1171.7-59.2-69.91.100109.3R148 L150 T152 A154 I194 G201R148-Q192 PolarHBondContact O-NE2 3.31Å; L150-Q192 VanDerWaalsContact O-CG 3.23Å; L150-Q192 WeakPolarHBondContact O-CG 3.29Å; L150-Q192 PolarHBondContact O-NE2 2.85Å; T152-Q192 PolarHBondContact O-N 3.32Å; A154-Q192 PolarHBondContact N-O 3.26Å; Q192-I194 PolarHBondContact O-N 3.35Å; Q192-G201 VanDerWaalsContact OE1-CA 3.31Å
193L98.3Very high97.2Very high0 Ų031.4 Ų31.40%018%0.179CC..EExtended strand (participates in β ladder)trans-72.5122.4177.5170.962.4000110.2F163 A191 C199 Y200 G201 H203 F205 M252 V259 Y265F163-L193 HydrophobicContact CD1-CD1 4.24Å; F163-L193 HydrophobicContact CE1-CD1 3.42Å; F163-L193 VanDerWaalsContact CE1-CD1 3.42Å; F163-L193 HydrophobicContact CZ-CD1 4.14Å; A191-L193 PolarHBondContact O-N 3.39Å; L193-C199 CarbonylContact O-C 3.59Å; L193-C199 WeakPolarHBondContact O-CA 3.47Å; L193-Y200 PolarHBondContact O-N 3.28Å; L193-G201 PolarHBondContact N-O 2.79Å; L193-H203 HydrophobicContact CB-CB 4.13Å; L193-H203 VanDerWaalsContact CB-ND1 3.32Å; L193-H203 WeakPolarHBondContact CB-ND1 3.31Å; L193-F205 HydrophobicContact CB-CZ 4.35Å; L193-F205 HydrophobicContact CD1-CZ 4.05Å; L193-M252 HydrophobicContact CD1-SD 4.45Å; L193-M252 HydrophobicContact CD2-CE 3.78Å; L193-M252 HydrophobicContact CD2-SD 4.31Å; L193-V259 HydrophobicContact CD1-CG2 4.07Å; L193-V259 HydrophobicContact CD2-CG2 3.85Å; L193-Y265 HydrophobicContact CD2-CD2 3.71Å; L193-Y265 HydrophobicContact CD2-CE2 3.68Å
194I98.7Very high97.2Very high42 Ų4231.3 Ų31.322%0.21518%0.179CC..EExtended strand (participates in β ladder)trans-120.1122.4176-57.3172.2000108.6T153 A154 T155 Y156 Q192 K198 C199T153-I194 HydrophobicContact CG2-CD1 3.89Å; A154-I194 PolarHBondContact O-N 2.97Å; T155-I194 CarbonylContact C-O 3.54Å; T155-I194 WeakPolarHBondContact CA-O 3.43Å; T155-I194 HydrophobicContact CG2-CB 4.37Å; T155-I194 HydrophobicContact CG2-CG2 4.23Å; Y156-I194 PolarHBondContact N-O 3.17Å; Q192-I194 PolarHBondContact O-N 3.35Å; I194-K198 WeakPolarHBondContact CA-O 3.35Å; I194-C199 HydrophobicContact CG1-CB 4.34Å
195T98.3Very high97.2Very high1 Ų131.3 Ų31.31%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-145.1144.9172-177.90000110G197 K198 Y200 G263T195-G197 PolarHBondContact O-N 3.22Å; T195-G197 VanDerWaalsContact O-N 3.16Å; T195-K198 PolarHBondContact N-O 2.96Å; T195-K198 PolarHBondContact O-N 2.88Å; T195-Y200 HydrophobicContact CG2-CD2 3.84Å; T195-Y200 HydrophobicContact CG2-CE2 3.46Å; T195-Y200 VanDerWaalsContact CG2-CE2 3.46Å; T195-G263 WeakPolarHBondContact CG2-O 3.48Å; T195-G263 WeakPolarHBondContact OG1-CA 3.25Å; T195-G263 PolarHBondContact OG1-O 3.06Å
196K96.6Very high97.2Very high125 Ų12530.8 Ų30.854%0.54318%0.176SC..THydrogen-bonded Turntrans48.341.1-174.8-62.7-174.5173.9177.80112.8K198 D262 T264K196-K198 PolarHBondContact O-N 2.82Å; K196-D262 WeakPolarHBondContact CE-O 3.42Å; K196-D262 PolarHBondContact NZ-O 3.13Å; K196-D262 IonicContact NZ-OD2 3.4Å; K196-D262 PolarHBondContact NZ-OD2 2.95Å; K196-T264 PolarHBondContact NZ-OG1 2.88Å
197G94.8Very high97.2Very high83 Ų8330.3 Ų30.386%0.85617%0.174SC*.THydrogen-bonded Turntrans716.6179.700000115.8T195T195-G197 PolarHBondContact O-N 3.22Å; T195-G197 VanDerWaalsContact O-N 3.16Å
198K97.9Very high97.2Very high122 Ų12231.7 Ų31.753%0.5318%0.182SC..EExtended strand (participates in β ladder)trans-116.4135.9-178.6-178.3170.2176.9176.30111.7I194 T195 K196 Y200I194-K198 WeakPolarHBondContact CA-O 3.35Å; T195-K198 PolarHBondContact N-O 2.96Å; T195-K198 PolarHBondContact O-N 2.88Å; K196-K198 PolarHBondContact O-N 2.82Å; K198-Y200 HydrophobicContact CB-CE2 3.76Å; K198-Y200 HydrophobicContact CD-CE1 4.07Å; K198-Y200 HydrophobicContact CD-CE2 4.23Å; K198-Y200 HydrophobicContact CG-CD2 4.37Å; K198-Y200 HydrophobicContact CG-CE1 4.42Å; K198-Y200 HydrophobicContact CG-CE2 3.87Å; K198-Y200 VanDerWaalsContact O-CD2 3.23Å; K198-Y200 WeakPolarHBondContact O-CD2 3.45Å; K198-Y200 WeakPolarHBondContact O-CE2 3.15Å
199C97.1Very high97.2Very high69 Ų6931.7 Ų31.747%0.46618%0.182SC..EExtended strand (participates in β ladder)trans-84131.2170.7-1770000110.8L193 I194L193-C199 CarbonylContact O-C 3.59Å; L193-C199 WeakPolarHBondContact O-CA 3.47Å; I194-C199 HydrophobicContact CG1-CB 4.34Å
200Y95.2Very high97.2Very high72 Ų7232.4 Ų32.428%0.28219%0.185SC..EExtended strand (participates in β ladder)trans-111.79.7-179.8-67.7-89.4000113L193 T195 K198 Y265L193-Y200 PolarHBondContact O-N 3.28Å; T195-Y200 HydrophobicContact CG2-CD2 3.84Å; T195-Y200 HydrophobicContact CG2-CE2 3.46Å; T195-Y200 VanDerWaalsContact CG2-CE2 3.46Å; K198-Y200 HydrophobicContact CB-CE2 3.76Å; K198-Y200 HydrophobicContact CD-CE1 4.07Å; K198-Y200 HydrophobicContact CD-CE2 4.23Å; K198-Y200 HydrophobicContact CG-CD2 4.37Å; K198-Y200 HydrophobicContact CG-CE1 4.42Å; K198-Y200 HydrophobicContact CG-CE2 3.87Å; K198-Y200 VanDerWaalsContact O-CD2 3.23Å; K198-Y200 WeakPolarHBondContact O-CD2 3.45Å; K198-Y200 WeakPolarHBondContact O-CE2 3.15Å; Y200-Y265 AromaticContact CD1-CD1 3.25Å; Y200-Y265 HydrophobicContact CD1-CD1 3.25Å; Y200-Y265 HydrophobicContact CD1-CD2 4.25Å; Y200-Y265 AromaticContact CD1-CE1 3.56Å; Y200-Y265 HydrophobicContact CD1-CE1 3.56Å; Y200-Y265 AromaticContact CD1-CG 3.61Å; Y200-Y265 HydrophobicContact CD1-CG 3.61Å; Y200-Y265 HydrophobicContact CD2-CG 4.33Å; Y200-Y265 AromaticContact CE1-CD1 3.4Å; Y200-Y265 HydrophobicContact CE1-CD1 3.4Å; Y200-Y265 HydrophobicContact CE1-CE1 4.14Å; Y200-Y265 AromaticContact CE1-CG 3.73Å; Y200-Y265 HydrophobicContact CE1-CG 3.73Å; Y200-Y265 HydrophobicContact CE2-CG 4.45Å; Y200-Y265 AromaticContact CG-CD1 3.98Å; Y200-Y265 HydrophobicContact CG-CD1 3.98Å; Y200-Y265 HydrophobicContact CG-CD2 4.15Å; Y200-Y265 HydrophobicContact CG-CE1 4.23Å; Y200-Y265 HydrophobicContact CG-CE2 4.4Å; Y200-Y265 AromaticContact CG-CG 3.91Å; Y200-Y265 HydrophobicContact CG-CG 3.91Å
201G93.9Very high97.2Very high22 Ų2236 Ų3623%0.22720%0.202CC..EExtended strand (participates in β ladder)trans82.6-166.6-179.400000113.3Q192 L193 H203Q192-G201 VanDerWaalsContact OE1-CA 3.31Å; L193-G201 PolarHBondContact N-O 2.79Å; G201-H203 PolarHBondContact O-N 2.99Å; G201-H203 PolarHBondContact O-ND1 3.37Å
202L93.6Very high97.1Very high35 Ų3541.5 Ų41.518%0.18323%0.23CC..EExtended strand (participates in β ladder)trans-69.7128.3-170.7-60173.7000113.2L147 L150 L190 A191L147-L202 HydrophobicContact CB-CD1 3.74Å; L147-L202 VanDerWaalsContact O-CD1 3.29Å; L147-L202 WeakPolarHBondContact O-CD1 3.46Å; L150-L202 HydrophobicContact CB-CD2 3.95Å; L150-L202 HydrophobicContact CD1-CD1 4.15Å; L150-L202 HydrophobicContact CD1-CD2 3.76Å; L150-L202 HydrophobicContact CG-CD2 4.4Å; L190-L202 HydrophobicContact CD1-CB 4.21Å; L190-L202 HydrophobicContact CD2-CB 4.03Å; L190-L202 HydrophobicContact CD2-CD1 3.75Å; L190-L202 HydrophobicContact CD2-CD2 4.31Å; L190-L202 HydrophobicContact CD2-CG 4.24Å; L190-L202 HydrophobicContact CG-CB 4Å; L190-L202 HydrophobicContact CG-CD2 4.31Å; L190-L202 HydrophobicContact CG-CG 4.5Å; A191-L202 WeakPolarHBondContact O-CA 3.34Å
203H94.9Very high97Very high17 Ų1744.1 Ų44.18%0.07926%0.264CS..EExtended strand (participates in β ladder)trans-135.6156.1172.6-69.577.4000110.4L190 A191 L193 G201 F205 M252 Y265L190-H203 WeakPolarHBondContact CA-O 3.49Å; L190-H203 WeakPolarHBondContact CD1-O 3.26Å; A191-H203 PolarHBondContact N-O 3.15Å; A191-H203 PolarHBondContact O-N 3.39Å; L193-H203 HydrophobicContact CB-CB 4.13Å; L193-H203 VanDerWaalsContact CB-ND1 3.32Å; L193-H203 WeakPolarHBondContact CB-ND1 3.31Å; G201-H203 PolarHBondContact O-N 2.99Å; G201-H203 PolarHBondContact O-ND1 3.37Å; H203-F205 HydrophobicContact CB-CE2 3.68Å; H203-F205 HydrophobicContact CB-CZ 3.85Å; H203-F205 VanDerWaalsContact O-CD2 3.29Å; H203-F205 WeakPolarHBondContact O-CD2 3.32Å; H203-F205 VanDerWaalsContact O-CE2 3.24Å; H203-F205 WeakPolarHBondContact O-CE2 3.31Å; H203-M252 HydrophobicContact CB-CE 4.2Å; H203-M252 WeakPolarHBondContact CD2-CE 3.1Å; H203-Y265 AromaticContact CE1-CE2 3.88Å; H203-Y265 AromaticContact NE2-CE2 3.54Å; H203-Y265 AromaticContact NE2-CZ 3.84Å; H203-Y265 PolarHBondContact NE2-OH 3.36Å
204A96.2Very high96.9Very high6 Ų647.7 Ų47.75%0.0529%0.286CS..EExtended strand (participates in β ladder)trans-99.5132.7-177.100000110.8I188 V189 L190 L253I188-A204 HydrophobicContact CG2-CB 3.8Å; V189-A204 WeakPolarHBondContact O-CA 3.43Å; L190-A204 HydrophobicContact CD1-CB 4.28Å; A204-L253 HydrophobicContact CB-CB 4.33Å; A204-L253 HydrophobicContact CB-CD1 3.75Å; A204-L253 HydrophobicContact CB-CG 4.17Å; A204-L253 PolarHBondContact O-N 3.16Å
205F98.5Very high96.9Very high0 Ų048.9 Ų48.90%029%0.29CS..EExtended strand (participates in β ladder)trans-129.4132.1-176.8-58.7-93.3000110.2A154 F163 I188 V189 A191 L193 H203 V207 I247 M252A154-F205 HydrophobicContact CB-CD1 4.32Å; A154-F205 HydrophobicContact CB-CD2 4Å; A154-F205 HydrophobicContact CB-CE1 3.78Å; A154-F205 HydrophobicContact CB-CE2 3.42Å; A154-F205 VanDerWaalsContact CB-CE2 3.42Å; A154-F205 HydrophobicContact CB-CG 4.42Å; A154-F205 HydrophobicContact CB-CZ 3.3Å; F163-F205 HydrophobicContact CB-CE1 4.49Å; F163-F205 AromaticContact CD1-CE1 3.82Å; F163-F205 HydrophobicContact CD1-CE1 3.82Å; F163-F205 HydrophobicContact CD2-CD1 4.11Å; F163-F205 AromaticContact CD2-CE1 3.9Å; F163-F205 HydrophobicContact CD2-CE1 3.9Å; F163-F205 AromaticContact CE1-CE1 3.92Å; F163-F205 HydrophobicContact CE1-CE1 3.92Å; F163-F205 HydrophobicContact CE2-CD1 4.47Å; F163-F205 AromaticContact CE2-CE1 4Å; F163-F205 HydrophobicContact CE2-CE1 4Å; F163-F205 HydrophobicContact CG-CD1 4.19Å; F163-F205 AromaticContact CG-CE1 3.81Å; F163-F205 HydrophobicContact CG-CE1 3.81Å; F163-F205 HydrophobicContact CZ-CE1 4.01Å; I188-F205 CarbonylContact C-O 3.53Å; I188-F205 VanDerWaalsContact CA-O 3.3Å; I188-F205 WeakPolarHBondContact CA-O 3.45Å; V189-F205 PolarHBondContact N-O 3.15Å; V189-F205 PolarHBondContact O-N 3.38Å; A191-F205 HydrophobicContact CB-CD2 4.15Å; A191-F205 HydrophobicContact CB-CE2 4.06Å; L193-F205 HydrophobicContact CB-CZ 4.35Å; L193-F205 HydrophobicContact CD1-CZ 4.05Å; H203-F205 HydrophobicContact CB-CE2 3.68Å; H203-F205 HydrophobicContact CB-CZ 3.85Å; H203-F205 VanDerWaalsContact O-CD2 3.29Å; H203-F205 WeakPolarHBondContact O-CD2 3.32Å; H203-F205 VanDerWaalsContact O-CE2 3.24Å; H203-F205 WeakPolarHBondContact O-CE2 3.31Å; F205-V207 HydrophobicContact CB-CG2 4.27Å; F205-V207 PolarHBondContact O-N 2.73Å; F205-I247 HydrophobicContact CB-CD1 3.83Å; F205-I247 HydrophobicContact CD1-CD1 4.19Å; F205-I247 HydrophobicContact CG-CD1 4.41Å; F205-M252 HydrophobicContact CD1-CB 3.68Å; F205-M252 HydrophobicContact CD1-CG 4.06Å; F205-M252 HydrophobicContact CE1-CB 3.65Å; F205-M252 HydrophobicContact CE1-CG 3.68Å; F205-M252 HydrophobicContact CE1-SD 4.16Å; F205-M252 HydrophobicContact CZ-CG 4.25Å
206I98.6Very high96.9Very high0 Ų055.6 Ų55.60%032%0.32CS..EExtended strand (participates in β ladder)trans-80.8113.8173.3-55.4169.4000108.3F107 L111 W123 I188 N251 L253F107-I206 HydrophobicContact CZ-CG2 4.49Å; L111-I206 HydrophobicContact CD2-CD1 3.54Å; L111-I206 HydrophobicContact CD2-CG1 4.25Å; W123-I206 HydrophobicContact CD2-CD1 4.37Å; W123-I206 HydrophobicContact CD2-CG2 4.36Å; W123-I206 HydrophobicContact CG-CD1 3.96Å; W123-I206 HydrophobicContact CZ2-CG2 4.2Å; I188-I206 HydrophobicContact CG1-CG1 4.2Å; I206-N251 HydrophobicContact CB-CB 4.35Å; I206-N251 PolarHBondContact N-O 2.63Å; I206-N251 WeakPolarHBondContact O-CB 3.05Å; I206-N251 PolarHBondContact O-ND2 2.82Å; I206-L253 HydrophobicContact CD1-CD2 3.75Å; I206-L253 HydrophobicContact CG1-CD2 3.93Å
207V98.8Very high97Very high0 Ų052.6 Ų52.60%031%0.313CS..EExtended strand (participates in β ladder)trans-116.6113.4-175.8-173.60000109.1L165 H186 A187 V189 F205 I209 M242 Y245 I247L165-V207 HydrophobicContact CG-CG2 4.31Å; H186-V207 CarbonylContact C-O 3.56Å; H186-V207 WeakPolarHBondContact CA-O 3.34Å; A187-V207 PolarHBondContact N-O 3Å; A187-V207 PolarHBondContact O-N 2.93Å; V189-V207 HydrophobicContact CB-CG2 3.85Å; V189-V207 HydrophobicContact CG2-CB 3.9Å; V189-V207 HydrophobicContact CG2-CG2 3.54Å; F205-V207 HydrophobicContact CB-CG2 4.27Å; F205-V207 PolarHBondContact O-N 2.73Å; V207-I209 HydrophobicContact CB-CG2 4.48Å; V207-I209 HydrophobicContact CG1-CG2 4.01Å; V207-I209 PolarHBondContact O-N 3.06Å; V207-M242 HydrophobicContact CG1-SD 4.48Å; V207-Y245 HydrophobicContact CG1-CD1 3.72Å; V207-Y245 HydrophobicContact CG1-CE1 3.57Å; V207-I247 HydrophobicContact CG1-CG2 4.3Å; V207-I247 HydrophobicContact CG2-CD1 4.15Å
208P98.6Very high97.2Very high28 Ų2850.6 Ų50.618%0.18228%0.283CS..EExtended strand (participates in β ladder)trans-64.1127.9164.2-15.830000108.6L218 Y245P208-L218 HydrophobicContact CB-CD1 3.81Å; P208-Y245 WeakPolarHBondContact O-CE1 3.49Å; P208-Y245 VanDerWaalsContact O-CZ 3.29Å; P208-Y245 PolarHBondContact O-OH 3.34Å
209I98.8Very high97.2Very high0 Ų050.3 Ų50.30%029%0.293CS..  trans-118.1-18.1-176.254.8169.2000113L180 N185 A187 V207 P217 L218 I221 L240L180-I209 HydrophobicContact CD1-CD1 3.56Å; N185-I209 VanDerWaalsContact C-CG1 3.49Å; N185-I209 VanDerWaalsContact O-CG1 3.28Å; N185-I209 WeakPolarHBondContact O-CG1 3.2Å; N185-I209 PolarHBondContact O-N 2.91Å; A187-I209 HydrophobicContact CB-CD1 4.31Å; A187-I209 HydrophobicContact CB-CG2 4.47Å; V207-I209 HydrophobicContact CB-CG2 4.48Å; V207-I209 HydrophobicContact CG1-CG2 4.01Å; V207-I209 PolarHBondContact O-N 3.06Å; I209-P217 WeakPolarHBondContact O-CA 3.47Å; I209-L218 PolarHBondContact O-N 3.36Å; I209-L218 VanDerWaalsContact O-N 3.15Å; I209-I221 HydrophobicContact CB-CG2 4.13Å; I209-I221 HydrophobicContact CG2-CD1 4.37Å; I209-I221 HydrophobicContact CG2-CG2 4.44Å; I209-L240 HydrophobicContact CG2-CD1 3.95Å; I209-L240 HydrophobicContact CG2-CD2 4.01Å
210R98.8Very high97.3Very high16 Ų1648.7 Ų48.76%0.0629%0.288CS..BIsolated β-bridgetrans-135.9147.2175.9-61175.3-178.8-79.8-4.3110.5G181 S184 N185 H215 K216G181-R210 PolarHBondContact O-NH2 2.93Å; S184-R210 VanDerWaalsContact O-CD 3.26Å; S184-R210 WeakPolarHBondContact O-CD 3.41Å; S184-R210 PolarHBondContact O-NE 2.93Å; N185-R210 HydrophobicContact CB-CB 4.05Å; N185-R210 PolarHBondContact O-N 2.71Å; R210-H215 WeakPolarHBondContact CD-CE1 3.18Å; R210-H215 WeakPolarHBondContact CD-NE2 3.43Å; R210-H215 WeakPolarHBondContact CD-O 3.46Å; R210-H215 PolarHBondContact NH1-O 3.12Å; R210-K216 CarbonylContact C-O 3.5Å; R210-K216 VanDerWaalsContact CA-O 3.24Å; R210-K216 WeakPolarHBondContact CA-O 3.42Å
211E98.2Very high97.4Very high92 Ų9245.9 Ų45.943%0.4328%0.278SS..  trans-65.6133.2173.1-176-175.5-165.800110.3T214 H215 K216 L218E211-T214 WeakPolarHBondContact OE2-CG2 3.16Å; E211-T214 PolarHBondContact OE2-OG1 3.38Å; E211-H215 VanDerWaalsContact O-CA 3.23Å; E211-H215 WeakPolarHBondContact O-CA 3.43Å; E211-H215 PolarHBondContact O-N 3.23Å; E211-K216 PolarHBondContact N-O 2.9Å; E211-L218 HydrophobicContact CB-CD2 4.03Å
212I96.3Very high97.7Very high114 Ų11448.5 Ų48.559%0.58529%0.289SS*.THydrogen-bonded Turntrans-67.8134.9174.1-63.2-178.7000109T214I212-T214 PolarHBondContact O-N 3.25Å
213G94.1Very high97.9Very high83 Ų8347.5 Ų47.586%0.85629%0.285SS*.THydrogen-bonded Turntrans94.2-5518000000113.1
214T97.3Very high98.1Very high74 Ų7446.7 Ų46.745%0.45428%0.281SS..THydrogen-bonded Turntrans-87.4-23.2179.377.80000113.3E211 I212 K216E211-T214 WeakPolarHBondContact OE2-CG2 3.16Å; E211-T214 PolarHBondContact OE2-OG1 3.38Å; I212-T214 PolarHBondContact O-N 3.25Å; T214-K216 PolarHBondContact O-N 3.14Å; T214-K216 VanDerWaalsContact O-N 3.07Å; T214-K216 PolarHBondContact OG1-N 3.42Å
215H97.9Very high98.2Very high67 Ų6748.3 Ų48.331%0.3129%0.289SS..  trans59.911.9-175.9-148.358.7000115K182 T183 R210 E211K182-H215 PolarHBondContact O-CD2 2.8Å; K182-H215 PolarHBondContact O-NE2 2.73Å; T183-H215 PolarHBondContact O-CE1 3.37Å; T183-H215 VanDerWaalsContact O-CE1 3.22Å; T183-H215 PolarHBondContact O-NE2 3.46Å; R210-H215 WeakPolarHBondContact CD-CE1 3.18Å; R210-H215 WeakPolarHBondContact CD-NE2 3.43Å; R210-H215 WeakPolarHBondContact CD-O 3.46Å; R210-H215 PolarHBondContact NH1-O 3.12Å; E211-H215 VanDerWaalsContact O-CA 3.23Å; E211-H215 WeakPolarHBondContact O-CA 3.43Å; E211-H215 PolarHBondContact O-N 3.23Å
216K98.5Very high98.2Very high142 Ų14249.7 Ų49.762%0.61730%0.296SS*.PPolyproline II helixtrans-67.5141.1174.5-70.7-177.2178.4178.40110R210 E211 T214 L218R210-K216 CarbonylContact C-O 3.5Å; R210-K216 VanDerWaalsContact CA-O 3.24Å; R210-K216 WeakPolarHBondContact CA-O 3.42Å; E211-K216 PolarHBondContact N-O 2.9Å; T214-K216 PolarHBondContact O-N 3.14Å; T214-K216 VanDerWaalsContact O-N 3.07Å; T214-K216 PolarHBondContact OG1-N 3.42Å; K216-L218 PolarHBondContact O-N 2.99Å
217P98.8Very high98.2Very high62 Ų6250.5 Ų50.540%0.40331%0.305SS..BIsolated β-bridgetrans-54.1137.1170.8-25.135.1000111.3I209 I221 V223I209-P217 WeakPolarHBondContact O-CA 3.47Å; P217-I221 HydrophobicContact CB-CG2 4.46Å; P217-V223 HydrophobicContact CB-CG1 4.04Å; P217-V223 HydrophobicContact CG-CG1 3.83Å
218L98.8Very high98.1Very high42 Ų4255.7 Ų55.722%0.2234%0.338CS..PPolyproline II helixtrans-70.3155.8177.1-71.1166.2000110.9P208 I209 E211 K216 G220 I221 Y245P208-L218 HydrophobicContact CB-CD1 3.81Å; I209-L218 PolarHBondContact O-N 3.36Å; I209-L218 VanDerWaalsContact O-N 3.15Å; E211-L218 HydrophobicContact CB-CD2 4.03Å; K216-L218 PolarHBondContact O-N 2.99Å; L218-G220 PolarHBondContact O-N 2.75Å; L218-I221 HydrophobicContact CB-CG1 4.16Å; L218-I221 VanDerWaalsContact O-CB 3.26Å; L218-I221 WeakPolarHBondContact O-CB 3.49Å; L218-I221 PolarHBondContact O-N 2.89Å; L218-Y245 HydrophobicContact CB-CE2 4.13Å; L218-Y245 WeakPolarHBondContact CD1-OH 3.26Å
219P98.5Very high98.1Very high116 Ų11656.7 Ų56.775%0.75334%0.34SS*.THydrogen-bonded Turntrans-53.3134.9177-26.335.3000112.1I221 Y245P219-I221 VanDerWaalsContact C-N 3.28Å; P219-I221 PolarHBondContact O-N 3.21Å; P219-Y245 WeakPolarHBondContact O-CD2 3.29Å; P219-Y245 VanDerWaalsContact O-CE2 3.29Å; P219-Y245 WeakPolarHBondContact O-CE2 2.8Å
220G98.3Very high98Very high35 Ų3563.5 Ų63.536%0.36137%0.369SS..THydrogen-bonded Turntrans81.2-2.3-175.100000115L218 D243L218-G220 PolarHBondContact O-N 2.75Å; G220-D243 PolarHBondContact O-N 2.89Å
221I98.9Very high97.8Very high12 Ų1263 Ų636%0.06237%0.369CS..EExtended strand (participates in β ladder)trans-102.2127175.6-58.3-61.7000110.8I209 P217 L218 P219 V223 L240 M242 Y245I209-I221 HydrophobicContact CB-CG2 4.13Å; I209-I221 HydrophobicContact CG2-CD1 4.37Å; I209-I221 HydrophobicContact CG2-CG2 4.44Å; P217-I221 HydrophobicContact CB-CG2 4.46Å; L218-I221 HydrophobicContact CB-CG1 4.16Å; L218-I221 VanDerWaalsContact O-CB 3.26Å; L218-I221 WeakPolarHBondContact O-CB 3.49Å; L218-I221 PolarHBondContact O-N 2.89Å; P219-I221 VanDerWaalsContact C-N 3.28Å; P219-I221 PolarHBondContact O-N 3.21Å; I221-V223 HydrophobicContact CG2-CB 4.21Å; I221-V223 HydrophobicContact CG2-CG1 4.06Å; I221-L240 HydrophobicContact CD1-CD1 4.4Å; I221-L240 HydrophobicContact CG2-CD1 3.59Å; I221-M242 HydrophobicContact CD1-CG 3.84Å; I221-Y245 HydrophobicContact CD1-CD1 3.85Å; I221-Y245 HydrophobicContact CD1-CD2 3.67Å; I221-Y245 HydrophobicContact CD1-CE1 4.07Å; I221-Y245 HydrophobicContact CD1-CE2 3.94Å; I221-Y245 HydrophobicContact CD1-CG 3.61Å; I221-Y245 HydrophobicContact CG1-CD2 3.85Å; I221-Y245 HydrophobicContact CG1-CE2 3.75Å; I221-Y245 HydrophobicContact CG1-CG 4.31Å
222T98.9Very high97.6Very high77 Ų7760.7 Ų60.747%0.47236%0.357SS..EExtended strand (participates in β ladder)trans-116.2119.7166.5-580000109.1Y239 L240 K241T222-Y239 HydrophobicContact CG2-CE2 4.29Å; T222-L240 WeakPolarHBondContact O-CA 3.42Å; T222-K241 PolarHBondContact N-O 3.12Å; T222-K241 PolarHBondContact O-N 3.29Å
223V98.8Very high97.5Very high14 Ų1456.9 Ų56.99%0.08534%0.338CS..EExtended strand (participates in β ladder)trans-143.6142.4-172.459.40000111.5L180 P217 I221 Y239 L240L180-V223 HydrophobicContact CD1-CG2 4.3Å; L180-V223 HydrophobicContact CG-CG2 4.3Å; L180-V223 WeakPolarHBondContact O-CG2 3.02Å; P217-V223 HydrophobicContact CB-CG1 4.04Å; P217-V223 HydrophobicContact CG-CG1 3.83Å; I221-V223 HydrophobicContact CG2-CB 4.21Å; I221-V223 HydrophobicContact CG2-CG1 4.06Å; V223-Y239 WeakPolarHBondContact CA-O 3.21Å; V223-Y239 WeakPolarHBondContact CG2-O 3.3Å; V223-L240 HydrophobicContact CB-CD1 4.28Å
224G98.7Very high97.5Very high1 Ų153.4 Ų53.41%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-173.7178178.600000113.1G181 G238 Y239G181-G224 WeakPolarHBondContact CA-O 3.37Å; G224-G238 CarbonylContact O-C 3.54Å; G224-G238 WeakPolarHBondContact O-CA 3.26Å; G224-Y239 VanDerWaalsContact C-CE1 3.47Å; G224-Y239 VanDerWaalsContact CA-CZ 3.43Å; G224-Y239 VanDerWaalsContact N-CE2 3.28Å; G224-Y239 PolarHBondContact N-O 3.46Å; G224-Y239 WeakPolarHBondContact O-CD1 3.07Å; G224-Y239 PolarHBondContact O-N 3.08Å
225D98.8Very high97.3Very high39 Ų3950.6 Ų50.621%0.20928%0.281CS..EExtended strand (participates in β ladder)trans-81.7144.9178.9176.176.3000111.2R56 G227 D236 Y239R56-D225 IonicContact CZ-OD1 3.45Å; R56-D225 IonicContact CZ-OD2 2.82Å; R56-D225 VanDerWaalsContact CZ-OD2 3.27Å; R56-D225 IonicContact NH1-OD1 3.41Å; R56-D225 IonicContact NH1-OD2 2.86Å; R56-D225 PolarHBondContact NH1-OD2 2.82Å; R56-D225 IonicContact NH2-OD1 3.98Å; R56-D225 PolarHBondContact NH2-OD1 3.46Å; R56-D225 IonicContact NH2-OD2 3.26Å; R56-D225 PolarHBondContact NH2-OD2 2.88Å; D225-G227 VanDerWaalsContact C-N 3.33Å; D225-G227 WeakPolarHBondContact OD2-CA 3.36Å; D225-G227 PolarHBondContact OD2-N 3.22Å; D225-D236 WeakPolarHBondContact OD1-CA 3.27Å; D225-Y239 VanDerWaalsContact O-CE1 3.3Å; D225-Y239 WeakPolarHBondContact O-CE1 3.41Å
226I98.6Very high97.3Very high30 Ų3047.5 Ų47.515%0.15427%0.267CS..  trans-82.8-6.3-176.668.9-178.2000114.4W175 W176 K229 N237 G238 Y239W175-I226 HydrophobicContact CD2-CG2 3.84Å; W175-I226 VanDerWaalsContact CE2-CG2 3.49Å; W175-I226 HydrophobicContact CE3-CG2 4.35Å; W175-I226 HydrophobicContact CG-CG2 4.25Å; W175-I226 HydrophobicContact CH2-CB 4.4Å; W175-I226 HydrophobicContact CH2-CG2 4.27Å; W175-I226 HydrophobicContact CZ2-CB 3.67Å; W175-I226 HydrophobicContact CZ2-CG2 3.75Å; W176-I226 HydrophobicContact CD2-CD1 3.84Å; W176-I226 HydrophobicContact CE3-CD1 3.21Å; W176-I226 HydrophobicContact CH2-CD1 3.94Å; W176-I226 HydrophobicContact CZ2-CD1 4.48Å; W176-I226 HydrophobicContact CZ3-CD1 3.28Å; I226-K229 HydrophobicContact CD1-CD 4.45Å; I226-N237 HydrophobicContact CD1-CB 3.58Å; I226-N237 HydrophobicContact CG1-CB 3.98Å; I226-N237 WeakPolarHBondContact CG1-O 3.46Å; I226-N237 PolarHBondContact N-O 3.28Å; I226-G238 VanDerWaalsContact CG2-C 3.45Å; I226-Y239 HydrophobicContact CG2-CD1 4.22Å
227G97.9Very high97.3Very high17 Ų1741.4 Ų41.418%0.17524%0.241CC..  trans106.8-178.718000000114.9R56 D225R56-G227 PolarHBondContact NH2-O 2.91Å; D225-G227 VanDerWaalsContact C-N 3.33Å; D225-G227 WeakPolarHBondContact OD2-CA 3.36Å; D225-G227 PolarHBondContact OD2-N 3.22Å
228P97.8Very high97.2Very high109 Ų10938.5 Ų38.571%0.70822%0.222SC*.  trans-65.3152.3177.229.7-35000111.3
229K97.4Very high97.3Very high49 Ų4939.9 Ų39.921%0.21323%0.225CC..  trans-133-173.3-175.8-55.2170.4-63.7-77.10108.8W176 I226 G231 Y232 I235 N237W176-K229 HydrophobicContact CZ3-CD 3.87Å; W176-K229 HydrophobicContact CZ3-CG 4.31Å; I226-K229 HydrophobicContact CD1-CD 4.45Å; K229-G231 VanDerWaalsContact C-N 3.31Å; K229-G231 WeakPolarHBondContact CB-O 3.49Å; K229-G231 WeakPolarHBondContact CE-O 3.45Å; K229-Y232 VanDerWaalsContact CE-O 3.23Å; K229-Y232 WeakPolarHBondContact CE-O 3.31Å; K229-Y232 PolarHBondContact NZ-O 3.25Å; K229-I235 PolarHBondContact NZ-O 2.91Å; K229-N237 HydrophobicContact CD-CB 4.41Å; K229-N237 WeakPolarHBondContact CE-OD1 3.42Å; K229-N237 PolarHBondContact NZ-OD1 3.47Å; K229-N237 VanDerWaalsContact NZ-OD1 3.14Å
230F97.7Very high97.3Very high142 Ų14234.4 Ų34.462%0.62319%0.189SC*.SBendtrans-68.4-31.9175.5-169.5-164.4000113Y411 V412 T415F230-Y411 HydrophobicContact CE1-CD1 4.22Å; F230-Y411 AromaticContact CE1-CE1 3.69Å; F230-Y411 HydrophobicContact CE1-CE1 3.69Å; F230-Y411 HydrophobicContact CZ-CD1 4.21Å; F230-Y411 AromaticContact CZ-CE1 3.88Å; F230-Y411 HydrophobicContact CZ-CE1 3.88Å; F230-V412 HydrophobicContact CD1-CG1 4.28Å; F230-V412 HydrophobicContact CD2-CB 4.44Å; F230-V412 HydrophobicContact CD2-CG1 3.7Å; F230-V412 HydrophobicContact CE1-CG1 4.15Å; F230-V412 HydrophobicContact CE2-CG1 3.53Å; F230-V412 HydrophobicContact CG-CB 4.42Å; F230-V412 HydrophobicContact CG-CG1 4.07Å; F230-V412 HydrophobicContact CZ-CG1 3.78Å; F230-V412 WeakPolarHBondContact O-CB 3.42Å; F230-T415 HydrophobicContact CD1-CG2 4.08Å; F230-T415 HydrophobicContact CE1-CG2 4.38Å
231G94.6Very high97.3Very high5 Ų536.8 Ų36.85%0.05219%0.19CC..SBendtrans-152.5-151.3173.400000109.1K229 D233K229-G231 VanDerWaalsContact C-N 3.31Å; K229-G231 WeakPolarHBondContact CB-O 3.49Å; K229-G231 WeakPolarHBondContact CE-O 3.45Å; G231-D233 VanDerWaalsContact C-N 3.25Å; G231-D233 PolarHBondContact O-N 2.89Å
232Y93.6Very high97.3Very high44 Ų4436.2 Ų36.217%0.17319%0.187CC..  trans5739.1178.6-84.3-141.6000112.6V97 K229 E234 I235 N413 P416V97-Y232 HydrophobicContact CG1-CD2 4.14Å; V97-Y232 HydrophobicContact CG1-CE2 4.47Å; V97-Y232 HydrophobicContact CG1-CG 4.18Å; V97-Y232 HydrophobicContact CG2-CD2 3.98Å; V97-Y232 HydrophobicContact CG2-CE2 3.67Å; K229-Y232 VanDerWaalsContact CE-O 3.23Å; K229-Y232 WeakPolarHBondContact CE-O 3.31Å; K229-Y232 PolarHBondContact NZ-O 3.25Å; Y232-E234 PolarHBondContact O-N 3.06Å; Y232-I235 HydrophobicContact CD1-CB 4.35Å; Y232-I235 HydrophobicContact CD1-CD1 3.69Å; Y232-I235 HydrophobicContact CD1-CG1 4.5Å; Y232-I235 HydrophobicContact CE1-CD1 3.8Å; Y232-I235 HydrophobicContact CG-CD1 4.36Å; Y232-I235 PolarHBondContact O-N 3.11Å; Y232-N413 HydrophobicContact CD2-CB 4.14Å; Y232-N413 WeakPolarHBondContact CD2-OD1 3.35Å; Y232-N413 HydrophobicContact CE2-CB 3.96Å; Y232-N413 WeakPolarHBondContact CE2-O 3.39Å; Y232-N413 PolarHBondContact N-OD1 3.33Å; Y232-P416 HydrophobicContact CD2-CG 4.5Å; Y232-P416 HydrophobicContact CE2-CG 4.3Å
233D93.5Very high97.3Very high34 Ų3437.2 Ų37.218%0.18219%0.189CC..THydrogen-bonded Turntrans-68.1-28.1-177.8-74.4-47.1000112.1R56 R59 G231 I235R56-D233 HydrophobicContact CG-CB 4.15Å; R59-D233 IonicContact NH1-OD2 3.27Å; R59-D233 PolarHBondContact NH1-OD2 3.24Å; G231-D233 VanDerWaalsContact C-N 3.25Å; G231-D233 PolarHBondContact O-N 2.89Å; D233-I235 VanDerWaalsContact C-N 3.29Å; D233-I235 PolarHBondContact O-N 3.44Å
234E94.3Very high97.3Very high11 Ų1140.8 Ų40.85%0.05121%0.208CC..THydrogen-bonded Turntrans-76.8-13.4177.8-56.271.3-158.200112.7L51 R59 A63 V97 P99 Y232L51-E234 HydrophobicContact CD1-CG 4.44Å; R59-E234 HydrophobicContact CB-CG 4.16Å; R59-E234 WeakPolarHBondContact CD-OE1 3.3Å; R59-E234 IonicContact NH1-OE1 2.79Å; A63-E234 HydrophobicContact CB-CB 3.9Å; A63-E234 HydrophobicContact CB-CG 4.46Å; V97-E234 HydrophobicContact CG1-CB 4.16Å; P99-E234 WeakPolarHBondContact CG-O 3.42Å; Y232-E234 PolarHBondContact O-N 3.06Å
235I93.6Very high97.3Very high14 Ų1442.2 Ų42.27%0.07221%0.213CC..SBendtrans-105.1127.6179.5-66175.8000111V97 K229 Y232 D233 N237V97-I235 HydrophobicContact CB-CD1 4.29Å; V97-I235 HydrophobicContact CG1-CB 4.44Å; V97-I235 HydrophobicContact CG1-CD1 3.41Å; V97-I235 VanDerWaalsContact CG1-CD1 3.41Å; V97-I235 HydrophobicContact CG1-CG1 3.5Å; K229-I235 PolarHBondContact NZ-O 2.91Å; Y232-I235 HydrophobicContact CD1-CB 4.35Å; Y232-I235 HydrophobicContact CD1-CD1 3.69Å; Y232-I235 HydrophobicContact CD1-CG1 4.5Å; Y232-I235 HydrophobicContact CE1-CD1 3.8Å; Y232-I235 HydrophobicContact CG-CD1 4.36Å; Y232-I235 PolarHBondContact O-N 3.11Å; D233-I235 VanDerWaalsContact C-N 3.29Å; D233-I235 PolarHBondContact O-N 3.44Å; I235-N237 VanDerWaalsContact C-N 3.27Å; I235-N237 PolarHBondContact O-N 3.4Å; I235-N237 VanDerWaalsContact O-N 3.09Å
236D97Very high97.3Very high3 Ų345.3 Ų45.32%0.01622%0.222CC..  trans-82.164.3171.361.9-42.1000111.3Y60 G179 G181 K182 T183 D225 G238Y60-D236 HydrophobicContact CD2-CB 4.14Å; Y60-D236 HydrophobicContact CE2-CB 3.71Å; G179-D236 WeakPolarHBondContact CA-OD1 3.4Å; G179-D236 PolarHBondContact N-O 3.44Å; G179-D236 PolarHBondContact N-OD1 3.3Å; G179-D236 VanDerWaalsContact O-OD2 3.14Å; G181-D236 PolarHBondContact N-O 2.92Å; G181-D236 PolarHBondContact N-OD2 3.33Å; K182-D236 WeakPolarHBondContact CA-OD2 3.3Å; K182-D236 HydrophobicContact CB-CB 4.27Å; K182-D236 HydrophobicContact CG-CB 4.45Å; K182-D236 PolarHBondContact N-OD2 3.17Å; T183-D236 WeakPolarHBondContact CB-OD2 3.21Å; T183-D236 PolarHBondContact N-OD2 2.71Å; T183-D236 PolarHBondContact OG1-OD1 2.92Å; T183-D236 VanDerWaalsContact OG1-OD1 3.06Å; T183-D236 PolarHBondContact OG1-OD2 2.94Å; D225-D236 WeakPolarHBondContact OD1-CA 3.27Å; D236-G238 PolarHBondContact O-N 3.05Å; D236-G238 VanDerWaalsContact O-N 3.16Å
237N98.4Very high97.3Very high14 Ų1444 Ų448%0.07522%0.215CC..  trans-55.5123.6170.5-65101.1000108.9W176 P177 I226 K229 I235W176-N237 WeakPolarHBondContact O-CB 2.92Å; W176-N237 PolarHBondContact O-ND2 3.24Å; P177-N237 WeakPolarHBondContact O-CA 3.26Å; I226-N237 HydrophobicContact CD1-CB 3.58Å; I226-N237 HydrophobicContact CG1-CB 3.98Å; I226-N237 WeakPolarHBondContact CG1-O 3.46Å; I226-N237 PolarHBondContact N-O 3.28Å; K229-N237 HydrophobicContact CD-CB 4.41Å; K229-N237 WeakPolarHBondContact CE-OD1 3.42Å; K229-N237 PolarHBondContact NZ-OD1 3.47Å; K229-N237 VanDerWaalsContact NZ-OD1 3.14Å; I235-N237 VanDerWaalsContact C-N 3.27Å; I235-N237 PolarHBondContact O-N 3.4Å; I235-N237 VanDerWaalsContact O-N 3.09Å
238G98.5Very high97.3Very high0 Ų045.9 Ų45.90%022%0.224CC..EExtended strand (participates in β ladder)trans-113168-166.100000115.1W176 P177 G224 I226 D236W176-G238 PolarHBondContact N-O 3.09Å; P177-G238 PolarHBondContact O-N 3.08Å; G224-G238 CarbonylContact O-C 3.54Å; G224-G238 WeakPolarHBondContact O-CA 3.26Å; I226-G238 VanDerWaalsContact CG2-C 3.45Å; D236-G238 PolarHBondContact O-N 3.05Å; D236-G238 VanDerWaalsContact O-N 3.16Å
239Y98.9Very high97.4Very high72 Ų7242.6 Ų42.628%0.28220%0.198SC..EExtended strand (participates in β ladder)trans-112.4151.8160.962.1-102.9000111.3K174 W175 T222 V223 G224 D225 I226K174-Y239 CarbonylContact O-C 3.55Å; K174-Y239 WeakPolarHBondContact O-CA 3Å; K174-Y239 WeakPolarHBondContact O-CB 3.28Å; W175-Y239 HydrophobicContact CH2-CD1 4.48Å; W175-Y239 HydrophobicContact CZ3-CD1 4.16Å; W175-Y239 HydrophobicContact CZ3-CG 4.23Å; T222-Y239 HydrophobicContact CG2-CE2 4.29Å; V223-Y239 WeakPolarHBondContact CA-O 3.21Å; V223-Y239 WeakPolarHBondContact CG2-O 3.3Å; G224-Y239 VanDerWaalsContact C-CE1 3.47Å; G224-Y239 VanDerWaalsContact CA-CZ 3.43Å; G224-Y239 VanDerWaalsContact N-CE2 3.28Å; G224-Y239 PolarHBondContact N-O 3.46Å; G224-Y239 WeakPolarHBondContact O-CD1 3.07Å; G224-Y239 PolarHBondContact O-N 3.08Å; D225-Y239 VanDerWaalsContact O-CE1 3.3Å; D225-Y239 WeakPolarHBondContact O-CE1 3.41Å; I226-Y239 HydrophobicContact CG2-CD1 4.22Å
240L98.9Very high97.4Very high0 Ų044.3 Ų44.30%021%0.207CC..EExtended strand (participates in β ladder)trans-142.4121174.8170.371000110.6K174 L180 V189 I209 I221 T222 V223 M242K174-L240 HydrophobicContact CB-CB 4.04Å; K174-L240 HydrophobicContact CG-CB 4.49Å; K174-L240 PolarHBondContact N-O 3.1Å; K174-L240 PolarHBondContact O-N 3.41Å; L180-L240 HydrophobicContact CD1-CB 4.11Å; L180-L240 HydrophobicContact CD1-CD2 4.29Å; L180-L240 HydrophobicContact CD2-CB 3.76Å; L180-L240 HydrophobicContact CG-CB 4.29Å; V189-L240 HydrophobicContact CG2-CD2 4Å; I209-L240 HydrophobicContact CG2-CD1 3.95Å; I209-L240 HydrophobicContact CG2-CD2 4.01Å; I221-L240 HydrophobicContact CD1-CD1 4.4Å; I221-L240 HydrophobicContact CG2-CD1 3.59Å; T222-L240 WeakPolarHBondContact O-CA 3.42Å; V223-L240 HydrophobicContact CB-CD1 4.28Å; L240-M242 HydrophobicContact CD1-CG 4.32Å; L240-M242 HydrophobicContact CD2-CE 4.37Å; L240-M242 HydrophobicContact CD2-CG 4.46Å; L240-M242 HydrophobicContact CD2-SD 4.18Å; L240-M242 HydrophobicContact CG-CE 4.48Å; L240-M242 HydrophobicContact CG-CG 4.22Å
241K98.9Very high97.4Very high85 Ų8537.7 Ų37.737%0.3718%0.178SC..EExtended strand (participates in β ladder)trans-112.3133.2169.3-178.8-170177.1-174.10108.7I173 T222I173-K241 HydrophobicContact CD1-CB 4.17Å; I173-K241 HydrophobicContact CD1-CD 4.21Å; I173-K241 HydrophobicContact CD1-CG 4.35Å; I173-K241 HydrophobicContact CG1-CB 3.93Å; I173-K241 HydrophobicContact CG1-CD 4.48Å; I173-K241 HydrophobicContact CG1-CG 4.12Å; I173-K241 HydrophobicContact CG2-CB 4.39Å; T222-K241 PolarHBondContact N-O 3.12Å; T222-K241 PolarHBondContact O-N 3.29Å
242M98.9Very high97.6Very high0 Ų037.5 Ų37.50%018%0.175CC..EExtended strand (participates in β ladder)trans-115.2125177.1-64.5157.1-7200108.8T152 L165 N166 S167 V189 V207 I221 L240T152-M242 HydrophobicContact CG2-CE 3.62Å; L165-M242 HydrophobicContact CB-CB 4.44Å; L165-M242 HydrophobicContact CB-SD 3.87Å; L165-M242 HydrophobicContact CG-SD 4.38Å; N166-M242 CarbonylContact C-O 3.6Å; N166-M242 WeakPolarHBondContact CA-O 3.49Å; N166-M242 PolarHBondContact OD1-O 3.14Å; S167-M242 PolarHBondContact N-O 3.32Å; S167-M242 PolarHBondContact OG-N 3.48Å; S167-M242 VanDerWaalsContact OG-N 3.15Å; V189-M242 HydrophobicContact CG1-CE 3.86Å; V189-M242 HydrophobicContact CG1-SD 4.21Å; V189-M242 HydrophobicContact CG2-SD 4.21Å; V207-M242 HydrophobicContact CG1-SD 4.48Å; I221-M242 HydrophobicContact CD1-CG 3.84Å; L240-M242 HydrophobicContact CD1-CG 4.32Å; L240-M242 HydrophobicContact CD2-CE 4.37Å; L240-M242 HydrophobicContact CD2-CG 4.46Å; L240-M242 HydrophobicContact CD2-SD 4.18Å; L240-M242 HydrophobicContact CG-CE 4.48Å; L240-M242 HydrophobicContact CG-CG 4.22Å
243D98.8Very high97.7Very high98 Ų9835.9 Ų35.952%0.52417%0.17SC..SBendtrans-103.395.7176.2-174.82.3000109.2G220 Y245G220-D243 PolarHBondContact O-N 2.89Å; D243-Y245 PolarHBondContact O-N 2.76Å
244N98.7Very high97.8Very high90 Ų9035 Ų3548%0.48116%0.164SC..SBendtrans42.743.8-178.4-60.8-68.7000113.7I164 L165 N166I164-N244 HydrophobicContact CG2-CB 3.84Å; L165-N244 CarbonylContact O-C 3.33Å; L165-N244 WeakPolarHBondContact O-CA 3.46Å; L165-N244 PolarHBondContact O-N 3.42Å; N166-N244 PolarHBondContact OD1-N 3.39Å
245Y98.8Very high97.7Very high30 Ų3038.7 Ų38.712%0.11818%0.181CC..EExtended strand (participates in β ladder)trans-75.9125.5-171.8-174.9-103.9000111.3L165 V207 P208 L218 P219 I221 D243 I247L165-Y245 PolarHBondContact N-O 3.13Å; L165-Y245 PolarHBondContact O-N 3.32Å; V207-Y245 HydrophobicContact CG1-CD1 3.72Å; V207-Y245 HydrophobicContact CG1-CE1 3.57Å; P208-Y245 WeakPolarHBondContact O-CE1 3.49Å; P208-Y245 VanDerWaalsContact O-CZ 3.29Å; P208-Y245 PolarHBondContact O-OH 3.34Å; L218-Y245 HydrophobicContact CB-CE2 4.13Å; L218-Y245 WeakPolarHBondContact CD1-OH 3.26Å; P219-Y245 WeakPolarHBondContact O-CD2 3.29Å; P219-Y245 VanDerWaalsContact O-CE2 3.29Å; P219-Y245 WeakPolarHBondContact O-CE2 2.8Å; I221-Y245 HydrophobicContact CD1-CD1 3.85Å; I221-Y245 HydrophobicContact CD1-CD2 3.67Å; I221-Y245 HydrophobicContact CD1-CE1 4.07Å; I221-Y245 HydrophobicContact CD1-CE2 3.94Å; I221-Y245 HydrophobicContact CD1-CG 3.61Å; I221-Y245 HydrophobicContact CG1-CD2 3.85Å; I221-Y245 HydrophobicContact CG1-CE2 3.75Å; I221-Y245 HydrophobicContact CG1-CG 4.31Å; D243-Y245 PolarHBondContact O-N 2.76Å; Y245-I247 HydrophobicContact CD1-CG2 3.89Å; Y245-I247 HydrophobicContact CE1-CG2 3.68Å
246R98.8Very high97.4Very high105 Ų10540.6 Ų40.640%0.39619%0.187SC..EExtended strand (participates in β ladder)trans-92.2135.9-174.3-72.6173.5171.5-87.2-0.6112.1D157 T160 E162 F163 I164D157-R246 IonicContact OD2-CZ 3.01Å; D157-R246 IonicContact OD2-NH1 3.95Å; D157-R246 PolarHBondContact OD2-NH1 2.89Å; D157-R246 IonicContact OD2-NH2 2.97Å; D157-R246 PolarHBondContact OD2-NH2 3.09Å; T160-R246 PolarHBondContact OG1-NH1 3.21Å; T160-R246 VanDerWaalsContact OG1-NH1 3.11Å; E162-R246 WeakPolarHBondContact OE2-CD 3.24Å; E162-R246 IonicContact OE2-CZ 2.7Å; E162-R246 IonicContact OE2-NH1 3Å; E162-R246 PolarHBondContact OE2-NH1 3.22Å; F163-R246 WeakPolarHBondContact O-CA 3.18Å; I164-R246 HydrophobicContact CG1-CG 4.2Å
247I98.8Very high97.2Very high2 Ų240.7 Ų40.71%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-134.3150.6171.465.6179.2000110.6E162 F163 L165 F205 V207 Y245 N251E162-I247 CarbonylContact C-O 3.46Å; E162-I247 WeakPolarHBondContact CA-O 3.48Å; E162-I247 VanDerWaalsContact CB-O 3.26Å; E162-I247 WeakPolarHBondContact CB-O 3.33Å; F163-I247 HydrophobicContact CB-CD1 4.35Å; F163-I247 HydrophobicContact CB-CG1 3.87Å; F163-I247 PolarHBondContact N-O 3.04Å; F163-I247 PolarHBondContact O-N 2.97Å; L165-I247 HydrophobicContact CD2-CD1 3.61Å; L165-I247 HydrophobicContact CD2-CG1 3.86Å; L165-I247 HydrophobicContact CG-CD1 4.36Å; F205-I247 HydrophobicContact CB-CD1 3.83Å; F205-I247 HydrophobicContact CD1-CD1 4.19Å; F205-I247 HydrophobicContact CG-CD1 4.41Å; V207-I247 HydrophobicContact CG1-CG2 4.3Å; V207-I247 HydrophobicContact CG2-CD1 4.15Å; Y245-I247 HydrophobicContact CD1-CG2 3.89Å; Y245-I247 HydrophobicContact CE1-CG2 3.68Å; I247-N251 HydrophobicContact CB-CB 4.35Å; I247-N251 HydrophobicContact CD1-CB 3.94Å; I247-N251 HydrophobicContact CG1-CB 4.29Å
248P98.6Very high97.1Very high56 Ų5644.4 Ų44.436%0.36421%0.205SC..EExtended strand (participates in β ladder)trans-57.7149.4174.8-25.134.7000112.8E250 N251P248-E250 PolarHBondContact O-N 3.17Å; P248-E250 VanDerWaalsContact O-N 3.15Å; P248-N251 WeakPolarHBondContact O-CB 3.26Å; P248-N251 PolarHBondContact O-N 2.69Å
249R98.5Very high97Very high41 Ų4144.4 Ų44.416%0.15521%0.205CC..G310 helixtrans-51.5-39.2175.5-174.5-174.168.486.810.2112.6Y156 Q161 F163 N251 M252 M254 V259Y156-R249 HydrophobicContact CD2-CG 4.48Å; Y156-R249 HydrophobicContact CE2-CB 3.94Å; Y156-R249 HydrophobicContact CE2-CG 3.63Å; Y156-R249 WeakPolarHBondContact OH-CD 3.28Å; Q161-R249 VanDerWaalsContact O-CB 3.26Å; Q161-R249 WeakPolarHBondContact O-CB 3.17Å; Q161-R249 PolarHBondContact O-N 3.42Å; F163-R249 HydrophobicContact CE2-CB 4.35Å; F163-R249 HydrophobicContact CE2-CG 4.02Å; F163-R249 WeakPolarHBondContact CE2-O 3.16Å; R249-N251 PolarHBondContact O-N 3.1Å; R249-N251 VanDerWaalsContact O-N 3.07Å; R249-M252 PolarHBondContact O-N 2.64Å; R249-M254 HydrophobicContact CG-CE 3.89Å; R249-M254 WeakPolarHBondContact O-CE 3.49Å; R249-V259 PolarHBondContact NH1-O 3.04Å
250E97.8Very high97Very high85 Ų8545.9 Ų45.940%0.39721%0.213SC..G310 helixtrans-66.5-8.8-177.6-63.466.4-141.700113.3Q119 P248Q119-E250 PolarHBondContact NE2-O 2.85Å; P248-E250 PolarHBondContact O-N 3.17Å; P248-E250 VanDerWaalsContact O-N 3.15Å
251N98.5Very high96.9Very high3 Ų348.9 Ų48.92%0.01623%0.233CC..G310 helixtrans-82.1-13.3175.8-75.525.6000113.4I206 I247 P248 R249I206-N251 HydrophobicContact CB-CB 4.35Å; I206-N251 PolarHBondContact N-O 2.63Å; I206-N251 WeakPolarHBondContact O-CB 3.05Å; I206-N251 PolarHBondContact O-ND2 2.82Å; I247-N251 HydrophobicContact CB-CB 4.35Å; I247-N251 HydrophobicContact CD1-CB 3.94Å; I247-N251 HydrophobicContact CG1-CB 4.29Å; P248-N251 WeakPolarHBondContact O-CB 3.26Å; P248-N251 PolarHBondContact O-N 2.69Å; R249-N251 PolarHBondContact O-N 3.1Å; R249-N251 VanDerWaalsContact O-N 3.07Å
252M98.2Very high96.8Very high0 Ų048.9 Ų48.90%024%0.237CC..BIsolated β-bridgetrans-71.2130.5169176.4-173.3167.700110Q119 F163 L193 H203 F205 R249 M254 V259Q119-M252 PolarHBondContact NE2-O 2.79Å; F163-M252 HydrophobicContact CD2-CB 4.28Å; F163-M252 HydrophobicContact CE1-SD 4.48Å; F163-M252 HydrophobicContact CE2-CB 3.59Å; F163-M252 HydrophobicContact CE2-CG 4.41Å; F163-M252 HydrophobicContact CE2-SD 4.14Å; F163-M252 HydrophobicContact CZ-CB 4.11Å; F163-M252 HydrophobicContact CZ-CG 4.46Å; F163-M252 HydrophobicContact CZ-SD 3.66Å; L193-M252 HydrophobicContact CD1-SD 4.45Å; L193-M252 HydrophobicContact CD2-CE 3.78Å; L193-M252 HydrophobicContact CD2-SD 4.31Å; H203-M252 HydrophobicContact CB-CE 4.2Å; H203-M252 WeakPolarHBondContact CD2-CE 3.1Å; F205-M252 HydrophobicContact CD1-CB 3.68Å; F205-M252 HydrophobicContact CD1-CG 4.06Å; F205-M252 HydrophobicContact CE1-CB 3.65Å; F205-M252 HydrophobicContact CE1-CG 3.68Å; F205-M252 HydrophobicContact CE1-SD 4.16Å; F205-M252 HydrophobicContact CZ-CG 4.25Å; R249-M252 PolarHBondContact O-N 2.64Å; M252-M254 HydrophobicContact CB-CE 3.83Å; M252-M254 HydrophobicContact CB-CG 4.38Å; M252-M254 HydrophobicContact CG-CE 4.21Å; M252-M254 HydrophobicContact CG-CG 4.17Å; M252-M254 VanDerWaalsContact O-CG 3.31Å; M252-M254 WeakPolarHBondContact O-CG 2.74Å; M252-M254 PolarHBondContact O-N 3.39Å; M252-M254 HydrophobicContact SD-CE 3.88Å; M252-M254 HydrophobicContact SD-CG 4.3Å; M252-V259 HydrophobicContact CE-CG2 4.13Å; M252-V259 HydrophobicContact SD-CB 4.21Å; M252-V259 HydrophobicContact SD-CG2 3.65Å
253L96.1Very high96.7Very high11 Ų1148.9 Ų48.96%0.05824%0.237CC..  trans-70.2112.1178.3-63.2-175.2000111.5T110 L111 Q114 I188 A204 I206T110-L253 HydrophobicContact CG2-CD1 3.45Å; T110-L253 VanDerWaalsContact CG2-CD1 3.45Å; L111-L253 HydrophobicContact CD2-CD2 4.13Å; Q114-L253 HydrophobicContact CB-CB 4.28Å; Q114-L253 HydrophobicContact CB-CD1 4.01Å; I188-L253 HydrophobicContact CD1-CD1 4.28Å; I188-L253 HydrophobicContact CG2-CD1 4.5Å; A204-L253 HydrophobicContact CB-CB 4.33Å; A204-L253 HydrophobicContact CB-CD1 3.75Å; A204-L253 HydrophobicContact CB-CG 4.17Å; A204-L253 PolarHBondContact O-N 3.16Å; I206-L253 HydrophobicContact CD1-CD2 3.75Å; I206-L253 HydrophobicContact CG1-CD2 3.93Å
254M95.3Very high96.7Very high14 Ų1446.5 Ų46.57%0.06923%0.226CC..  trans-111.913.8-162.2-80.7-167.5-158.100116T116 R249 M252 Y256 A257 Q258 V259T116-M254 HydrophobicContact CG2-CB 3.79Å; R249-M254 HydrophobicContact CG-CE 3.89Å; R249-M254 WeakPolarHBondContact O-CE 3.49Å; M252-M254 HydrophobicContact CB-CE 3.83Å; M252-M254 HydrophobicContact CB-CG 4.38Å; M252-M254 HydrophobicContact CG-CE 4.21Å; M252-M254 HydrophobicContact CG-CG 4.17Å; M252-M254 VanDerWaalsContact O-CG 3.31Å; M252-M254 WeakPolarHBondContact O-CG 2.74Å; M252-M254 PolarHBondContact O-N 3.39Å; M252-M254 HydrophobicContact SD-CE 3.88Å; M252-M254 HydrophobicContact SD-CG 4.3Å; M254-Y256 VanDerWaalsContact C-N 3.34Å; M254-Y256 PolarHBondContact O-N 2.87Å; M254-A257 CarbonylContact C-O 3.55Å; M254-A257 WeakPolarHBondContact CA-O 3.27Å; M254-Q258 HydrophobicContact CB-CG 4.2Å; M254-Q258 HydrophobicContact CG-CB 4.43Å; M254-Q258 WeakPolarHBondContact O-CG 3.45Å; M254-Q258 HydrophobicContact SD-CB 4.13Å; M254-V259 HydrophobicContact CE-CB 4.27Å
255K91.3Very high96.6Very high90 Ų9044.2 Ų44.239%0.39121%0.211SC..SBendtrans-62.8-40.3179.7-173.8-170.8178.4-1730112.8N113 Q114N113-K255 WeakPolarHBondContact O-CD 3.12Å; N113-K255 WeakPolarHBondContact O-CE 3.19Å; N113-K255 PolarHBondContact O-NZ 2.78Å; Q114-K255 WeakPolarHBondContact O-CB 3.18Å; Q114-K255 PolarHBondContact O-N 2.88Å; Q114-K255 VanDerWaalsContact O-N 3.16Å
256Y88.1Confident96.4Very high54 Ų5445.4 Ų45.421%0.21222%0.221CC..SBendtrans-101.8-43-175.2-61.4-59.3000113N113 Q114 M254 P268 L273N113-Y256 PolarHBondContact O-OH 3.29Å; Q114-Y256 HydrophobicContact CG-CE2 4.24Å; M254-Y256 VanDerWaalsContact C-N 3.34Å; M254-Y256 PolarHBondContact O-N 2.87Å; Y256-P268 WeakPolarHBondContact O-CA 3.25Å; Y256-P268 VanDerWaalsContact O-CB 3.26Å; Y256-P268 WeakPolarHBondContact O-CB 3.02Å; Y256-L273 HydrophobicContact CD1-CB 3.95Å; Y256-L273 HydrophobicContact CD1-CD1 3.87Å; Y256-L273 HydrophobicContact CD2-CB 4.24Å; Y256-L273 HydrophobicContact CE1-CB 3.87Å; Y256-L273 HydrophobicContact CE1-CD1 3.84Å; Y256-L273 HydrophobicContact CE1-CD2 4.47Å; Y256-L273 HydrophobicContact CE1-CG 4.27Å; Y256-L273 HydrophobicContact CE2-CB 4.18Å; Y256-L273 HydrophobicContact CG-CB 4.14Å
257A92.2Very high96Very high5 Ų548.5 Ų48.54%0.04124%0.237CC..SBendtrans-125.2148.1178.500000109.6M254 Y265 V266M254-A257 CarbonylContact C-O 3.55Å; M254-A257 WeakPolarHBondContact CA-O 3.27Å; A257-Y265 HydrophobicContact CB-CE2 3.89Å; A257-V266 WeakPolarHBondContact CA-O 3.42Å
258Q95.5Very high95.2Very high91 Ų9149.1 Ų49.143%0.42524%0.241SC..EExtended strand (participates in β ladder)trans-133.3151.8-175.3-50.317913.700111.7M254 Y265 V266M254-Q258 HydrophobicContact CB-CG 4.2Å; M254-Q258 HydrophobicContact CG-CB 4.43Å; M254-Q258 WeakPolarHBondContact O-CG 3.45Å; M254-Q258 HydrophobicContact SD-CB 4.13Å; Q258-Y265 CarbonylContact O-C 3.33Å; Q258-Y265 WeakPolarHBondContact O-CA 3.48Å; Q258-V266 HydrophobicContact CB-CB 4.09Å; Q258-V266 HydrophobicContact CB-CG2 4.4Å; Q258-V266 PolarHBondContact N-O 3.29Å; Q258-V266 PolarHBondContact O-N 2.89Å
259V97.8Very high94.2Very high0 Ų054.8 Ų54.80%027%0.268CS..EExtended strand (participates in β ladder)trans-119.9115.2166.1177.60000107.4Y156 F163 L193 R249 M252 M254 Y265Y156-V259 HydrophobicContact CD1-CG1 4Å; Y156-V259 HydrophobicContact CD2-CG1 4.16Å; Y156-V259 HydrophobicContact CE1-CG1 4.2Å; Y156-V259 HydrophobicContact CE2-CG1 4.36Å; Y156-V259 HydrophobicContact CG-CG1 3.98Å; F163-V259 HydrophobicContact CE1-CG2 4.5Å; F163-V259 HydrophobicContact CZ-CB 4.02Å; F163-V259 HydrophobicContact CZ-CG1 4.23Å; F163-V259 HydrophobicContact CZ-CG2 4.05Å; L193-V259 HydrophobicContact CD1-CG2 4.07Å; L193-V259 HydrophobicContact CD2-CG2 3.85Å; R249-V259 PolarHBondContact NH1-O 3.04Å; M252-V259 HydrophobicContact CE-CG2 4.13Å; M252-V259 HydrophobicContact SD-CB 4.21Å; M252-V259 HydrophobicContact SD-CG2 3.65Å; M254-V259 HydrophobicContact CE-CB 4.27Å; V259-Y265 HydrophobicContact CG2-CD2 4.22Å
260K97.6Very high93.1Very high103 Ų10354.1 Ų54.145%0.44827%0.269SS..  trans-68.8161.9177.2-70.4-173.1-179.7-175.50111D262 G263 T264 V266K260-D262 WeakPolarHBondContact CB-OD1 3.46Å; K260-D262 PolarHBondContact O-N 2.84Å; K260-D262 VanDerWaalsContact O-N 3.15Å; K260-G263 WeakPolarHBondContact O-CA 3.48Å; K260-G263 PolarHBondContact O-N 2.94Å; K260-T264 HydrophobicContact CD-CG2 4.46Å; K260-T264 PolarHBondContact N-O 2.86Å; K260-V266 HydrophobicContact CG-CG2 4.42Å
261P97.8Very high91.8Very high64 Ų6455.7 Ų55.742%0.41628%0.28SS..THydrogen-bonded Turntrans-52-35.6177.3-30.837.7000114.3Y156 G263Y156-P261 WeakPolarHBondContact CE1-O 3.44Å; Y156-P261 WeakPolarHBondContact OH-CA 3.43Å; Y156-P261 PolarHBondContact OH-O 2.98Å; P261-G263 PolarHBondContact O-N 2.99Å
262D97.1Very high90.4Very high85 Ų8560.4 Ų60.446%0.45530%0.301SS..THydrogen-bonded Turntrans-76.63.1177.177.7-32.7000114.1K196 K260 T264K196-D262 WeakPolarHBondContact CE-O 3.42Å; K196-D262 PolarHBondContact NZ-O 3.13Å; K196-D262 IonicContact NZ-OD2 3.4Å; K196-D262 PolarHBondContact NZ-OD2 2.95Å; K260-D262 WeakPolarHBondContact CB-OD1 3.46Å; K260-D262 PolarHBondContact O-N 2.84Å; K260-D262 VanDerWaalsContact O-N 3.15Å; D262-T264 VanDerWaalsContact CG-OG1 3.23Å; D262-T264 WeakPolarHBondContact OD1-CB 3.11Å; D262-T264 PolarHBondContact OD1-N 3.21Å; D262-T264 PolarHBondContact OD1-OG1 3.21Å; D262-T264 VanDerWaalsContact OD1-OG1 3.12Å; D262-T264 PolarHBondContact OD2-OG1 3.18Å
263G96.9Very high89.2Confident0 Ų061 Ų610%030%0.304CS..  trans82.74.6-17700000115Y156 T195 K260 P261 Y265Y156-G263 VanDerWaalsContact CD1-CA 3.47Å; T195-G263 WeakPolarHBondContact CG2-O 3.48Å; T195-G263 WeakPolarHBondContact OG1-CA 3.25Å; T195-G263 PolarHBondContact OG1-O 3.06Å; K260-G263 WeakPolarHBondContact O-CA 3.48Å; K260-G263 PolarHBondContact O-N 2.94Å; P261-G263 PolarHBondContact O-N 2.99Å; G263-Y265 PolarHBondContact O-N 3.22Å
264T97.8Very high87.7Confident47 Ų4762.8 Ų62.829%0.28832%0.315SS..  trans-70.4123.8178.7-65.90000111.6K196 K260 D262K196-T264 PolarHBondContact NZ-OG1 2.88Å; K260-T264 HydrophobicContact CD-CG2 4.46Å; K260-T264 PolarHBondContact N-O 2.86Å; D262-T264 VanDerWaalsContact CG-OG1 3.23Å; D262-T264 WeakPolarHBondContact OD1-CB 3.11Å; D262-T264 PolarHBondContact OD1-N 3.21Å; D262-T264 PolarHBondContact OD1-OG1 3.21Å; D262-T264 VanDerWaalsContact OD1-OG1 3.12Å; D262-T264 PolarHBondContact OD2-OG1 3.18Å
265Y97.3Very high86.4Confident43 Ų4366.2 Ų66.217%0.16933%0.328CS..EExtended strand (participates in β ladder)trans-82.6133.7177179.4-102.4000112.4L193 Y200 H203 A257 Q258 V259 G263 K267L193-Y265 HydrophobicContact CD2-CD2 3.71Å; L193-Y265 HydrophobicContact CD2-CE2 3.68Å; Y200-Y265 AromaticContact CD1-CD1 3.25Å; Y200-Y265 HydrophobicContact CD1-CD1 3.25Å; Y200-Y265 HydrophobicContact CD1-CD2 4.25Å; Y200-Y265 AromaticContact CD1-CE1 3.56Å; Y200-Y265 HydrophobicContact CD1-CE1 3.56Å; Y200-Y265 AromaticContact CD1-CG 3.61Å; Y200-Y265 HydrophobicContact CD1-CG 3.61Å; Y200-Y265 HydrophobicContact CD2-CG 4.33Å; Y200-Y265 AromaticContact CE1-CD1 3.4Å; Y200-Y265 HydrophobicContact CE1-CD1 3.4Å; Y200-Y265 HydrophobicContact CE1-CE1 4.14Å; Y200-Y265 AromaticContact CE1-CG 3.73Å; Y200-Y265 HydrophobicContact CE1-CG 3.73Å; Y200-Y265 HydrophobicContact CE2-CG 4.45Å; Y200-Y265 AromaticContact CG-CD1 3.98Å; Y200-Y265 HydrophobicContact CG-CD1 3.98Å; Y200-Y265 HydrophobicContact CG-CD2 4.15Å; Y200-Y265 HydrophobicContact CG-CE1 4.23Å; Y200-Y265 HydrophobicContact CG-CE2 4.4Å; Y200-Y265 AromaticContact CG-CG 3.91Å; Y200-Y265 HydrophobicContact CG-CG 3.91Å; H203-Y265 AromaticContact CE1-CE2 3.88Å; H203-Y265 AromaticContact NE2-CE2 3.54Å; H203-Y265 AromaticContact NE2-CZ 3.84Å; H203-Y265 PolarHBondContact NE2-OH 3.36Å; A257-Y265 HydrophobicContact CB-CE2 3.89Å; Q258-Y265 CarbonylContact O-C 3.33Å; Q258-Y265 WeakPolarHBondContact O-CA 3.48Å; V259-Y265 HydrophobicContact CG2-CD2 4.22Å; G263-Y265 PolarHBondContact O-N 3.22Å; Y265-K267 HydrophobicContact CE1-CB 3.98Å
266V95.3Very high85.5Confident55 Ų5562.9 Ų62.933%0.33332%0.32SS..EExtended strand (participates in β ladder)trans-114.1120.1174.4-174.40000108.8A257 Q258 K260A257-V266 WeakPolarHBondContact CA-O 3.42Å; Q258-V266 HydrophobicContact CB-CB 4.09Å; Q258-V266 HydrophobicContact CB-CG2 4.4Å; Q258-V266 PolarHBondContact N-O 3.29Å; Q258-V266 PolarHBondContact O-N 2.89Å; K260-V266 HydrophobicContact CG-CG2 4.42Å
267K88.9Confident84.9Confident170 Ų17060.5 Ų60.574%0.73931%0.31SS*.  trans-76.1152.2-174.865177.9-179.4177.70113.2Y265Y265-K267 HydrophobicContact CE1-CB 3.98Å
268P83.4Confident84.2Confident14 Ų1461.2 Ų61.29%0.09131%0.313CS..  trans-74.5163.1172.932.9-36.3000113.1Y256 S270Y256-P268 WeakPolarHBondContact O-CA 3.25Å; Y256-P268 VanDerWaalsContact O-CB 3.26Å; Y256-P268 WeakPolarHBondContact O-CB 3.02Å; P268-S270 VanDerWaalsContact C-N 3.28Å; P268-S270 PolarHBondContact O-N 3.43Å
269L76.9Confident83.4Confident175 Ų17557 Ų5792%0.91629%0.294SS*.SBendtrans-59.6-39171.2-71.2173.6000112L273L269-L273 HydrophobicContact CB-CD1 4.43Å
270S75Confident82.6Confident27 Ų2759 Ų5919%0.18930%0.303CS..  trans-148.2133.1175.1174.30000110.1P268 K272 L273P268-S270 VanDerWaalsContact C-N 3.28Å; P268-S270 PolarHBondContact O-N 3.43Å; S270-K272 PolarHBondContact O-N 3.14Å; S270-K272 WeakPolarHBondContact OG-CB 3.45Å; S270-K272 PolarHBondContact OG-N 2.69Å; S270-K272 VanDerWaalsContact OG-N 3.15Å; S270-L273 PolarHBondContact O-N 2.75Å
271N71.3Confident81.9Confident118 Ų11855 Ų5563%0.63129%0.287SS*.THydrogen-bonded Turntrans-63.5-9.9172.7-65-15.8000112.6T274 Y275N271-T274 PolarHBondContact O-OG1 2.86Å; N271-Y275 WeakPolarHBondContact O-CE2 3.39Å
272K69.1Low81.4Confident102 Ų10252.3 Ų52.344%0.44327%0.268SS..THydrogen-bonded Turntrans-79.2-23177.7-64.3-176.1180-179.70113.3S270 T274 Y275 L367S270-K272 PolarHBondContact O-N 3.14Å; S270-K272 WeakPolarHBondContact OG-CB 3.45Å; S270-K272 PolarHBondContact OG-N 2.69Å; S270-K272 VanDerWaalsContact OG-N 3.15Å; K272-T274 PolarHBondContact O-N 3.42Å; K272-Y275 PolarHBondContact O-N 3.27Å; K272-Y275 VanDerWaalsContact O-N 3.08Å; K272-L367 HydrophobicContact CB-CD2 3.94Å; K272-L367 HydrophobicContact CD-CD2 4.42Å
273L71.7Confident80.6Confident14 Ų1448.5 Ų48.57%0.07325%0.248CC..G310 helixtrans-67.1-23.8-176.7-68.1169.9000112.6Y256 L269 S270 Y275 G276 I359 L364Y256-L273 HydrophobicContact CD1-CB 3.95Å; Y256-L273 HydrophobicContact CD1-CD1 3.87Å; Y256-L273 HydrophobicContact CD2-CB 4.24Å; Y256-L273 HydrophobicContact CE1-CB 3.87Å; Y256-L273 HydrophobicContact CE1-CD1 3.84Å; Y256-L273 HydrophobicContact CE1-CD2 4.47Å; Y256-L273 HydrophobicContact CE1-CG 4.27Å; Y256-L273 HydrophobicContact CE2-CB 4.18Å; Y256-L273 HydrophobicContact CG-CB 4.14Å; L269-L273 HydrophobicContact CB-CD1 4.43Å; S270-L273 PolarHBondContact O-N 2.75Å; L273-Y275 PolarHBondContact O-N 2.79Å; L273-G276 PolarHBondContact O-N 3.5Å; L273-I359 HydrophobicContact CD2-CG2 3.58Å; L273-L364 HydrophobicContact CD2-CD2 4.13Å
274T66.3Low80Confident48 Ų4851.7 Ų51.729%0.29426%0.262SS..G310 helixtrans-66.8-19.2174.555.50000112.9Q114 N271 K272Q114-T274 PolarHBondContact NE2-O 2.65Å; N271-T274 PolarHBondContact O-OG1 2.86Å; K272-T274 PolarHBondContact O-N 3.42Å
275Y68.1Low79.7Confident85 Ų8550.3 Ų50.333%0.33325%0.253SS..G310 helixtrans-90.70.9176.4-56.7-77.8000113.9N271 K272 L273 T277 M278 V279N271-Y275 WeakPolarHBondContact O-CE2 3.39Å; K272-Y275 PolarHBondContact O-N 3.27Å; K272-Y275 VanDerWaalsContact O-N 3.08Å; L273-Y275 PolarHBondContact O-N 2.79Å; Y275-T277 VanDerWaalsContact C-N 3.25Å; Y275-T277 PolarHBondContact O-N 3.23Å; Y275-T277 VanDerWaalsContact O-N 3.16Å; Y275-M278 HydrophobicContact CD1-CE 3.79Å; Y275-M278 HydrophobicContact CD1-SD 4.26Å; Y275-M278 HydrophobicContact CE1-CE 4.38Å; Y275-M278 WeakPolarHBondContact O-CB 3.35Å; Y275-M278 PolarHBondContact O-N 3.41Å; Y275-V279 PolarHBondContact O-N 3.12Å; Y275-V279 VanDerWaalsContact O-N 3.11Å
276G72.4Confident79.5Confident21 Ų2148.3 Ų48.322%0.21625%0.245CC..Hα-helixtrans-56.2-36.1-17400000114.2L273 F280L273-G276 PolarHBondContact O-N 3.5Å; G276-F280 PolarHBondContact O-N 3.17Å; G276-F280 VanDerWaalsContact O-N 3.15Å
277T74.4Confident79.4Confident3 Ų346.6 Ų46.62%0.01824%0.239CC..Hα-helixtrans-68.7-35.2175.2-48.60000112.4M106 P109 T110 Q114 Y275 F280 V281M106-T277 HydrophobicContact CE-CG2 4.47Å; M106-T277 HydrophobicContact SD-CG2 3.87Å; P109-T277 HydrophobicContact CB-CG2 4.39Å; T110-T277 WeakPolarHBondContact OG1-CG2 3.45Å; Q114-T277 PolarHBondContact NE2-OG1 3.17Å; Q114-T277 VanDerWaalsContact NE2-OG1 3.14Å; Y275-T277 VanDerWaalsContact C-N 3.25Å; Y275-T277 PolarHBondContact O-N 3.23Å; Y275-T277 VanDerWaalsContact O-N 3.16Å; T277-F280 VanDerWaalsContact O-CB 3.28Å; T277-F280 WeakPolarHBondContact O-CB 3.16Å; T277-F280 PolarHBondContact O-N 3.47Å; T277-V281 PolarHBondContact O-N 2.85Å; T277-V281 VanDerWaalsContact O-N 3.11Å
278M78Confident79.6Confident21 Ų2140 Ų4010%0.10321%0.211CC..Hα-helixtrans-69.8-40.2178.8-174.6-168.5-63.200111.3L147 Y275 F280 V281 R282 E421L147-M278 HydrophobicContact CD1-CE 3.83Å; Y275-M278 HydrophobicContact CD1-CE 3.79Å; Y275-M278 HydrophobicContact CD1-SD 4.26Å; Y275-M278 HydrophobicContact CE1-CE 4.38Å; Y275-M278 WeakPolarHBondContact O-CB 3.35Å; Y275-M278 PolarHBondContact O-N 3.41Å; M278-F280 VanDerWaalsContact C-N 3.28Å; M278-F280 PolarHBondContact O-N 2.75Å; M278-V281 PolarHBondContact O-N 3.16Å; M278-R282 WeakPolarHBondContact O-CG 3.4Å; M278-R282 PolarHBondContact O-N 3.11Å; M278-R282 PolarHBondContact SD-NH2 2.63Å; M278-E421 WeakPolarHBondContact CG-OE2 3.23Å
279V78.6Confident80.2Confident3 Ų339.4 Ų39.42%0.01821%0.207CC..Hα-helixtrans-63.1-37.7174.9-179.70000110.9Y275 S283 Y352 L370 T374Y275-V279 PolarHBondContact O-N 3.12Å; Y275-V279 VanDerWaalsContact O-N 3.11Å; V279-S283 PolarHBondContact O-N 3.05Å; V279-Y352 HydrophobicContact CG1-CD2 4.17Å; V279-Y352 HydrophobicContact CG1-CE2 4.3Å; V279-L370 HydrophobicContact CG1-CD1 4.38Å; V279-L370 HydrophobicContact CG1-CD2 3.66Å; V279-L370 HydrophobicContact CG1-CG 3.7Å; V279-T374 HydrophobicContact CG1-CG2 3.98Å
280F80.6Confident81.1Confident42 Ų4231 Ų3118%0.18416%0.163CC..Hα-helixtrans-56.4-58.1171.5-178.4-111.5000110.8P109 G276 T277 M278 R282 S283 F284 Y352P109-F280 HydrophobicContact CB-CD1 4.43Å; P109-F280 HydrophobicContact CB-CE1 4.29Å; P109-F280 HydrophobicContact CG-CE1 4.16Å; G276-F280 PolarHBondContact O-N 3.17Å; G276-F280 VanDerWaalsContact O-N 3.15Å; T277-F280 VanDerWaalsContact O-CB 3.28Å; T277-F280 WeakPolarHBondContact O-CB 3.16Å; T277-F280 PolarHBondContact O-N 3.47Å; M278-F280 VanDerWaalsContact C-N 3.28Å; M278-F280 PolarHBondContact O-N 2.75Å; F280-R282 VanDerWaalsContact C-N 3.3Å; F280-R282 PolarHBondContact O-N 3.39Å; F280-S283 PolarHBondContact O-N 3.28Å; F280-S283 VanDerWaalsContact O-N 3.08Å; F280-S283 PolarHBondContact O-OG 2.66Å; F280-F284 HydrophobicContact CD1-CD2 4.27Å; F280-F284 AromaticContact CD1-CE2 3.86Å; F280-F284 HydrophobicContact CD1-CE2 3.86Å; F280-F284 HydrophobicContact CD2-CD2 4.41Å; F280-F284 AromaticContact CD2-CE2 3.47Å; F280-F284 HydrophobicContact CD2-CE2 3.47Å; F280-F284 VanDerWaalsContact CD2-CE2 3.47Å; F280-F284 HydrophobicContact CD2-CZ 4.23Å; F280-F284 HydrophobicContact CE1-CD2 4.17Å; F280-F284 AromaticContact CE1-CE2 3.55Å; F280-F284 HydrophobicContact CE1-CE2 3.55Å; F280-F284 HydrophobicContact CE1-CZ 4.16Å; F280-F284 HydrophobicContact CE2-CD2 4.38Å; F280-F284 AromaticContact CE2-CE2 3.19Å; F280-F284 HydrophobicContact CE2-CE2 3.19Å; F280-F284 AromaticContact CE2-CZ 3.52Å; F280-F284 HydrophobicContact CE2-CZ 3.52Å; F280-F284 HydrophobicContact CG-CD2 4.41Å; F280-F284 AromaticContact CG-CE2 3.84Å; F280-F284 HydrophobicContact CG-CE2 3.84Å; F280-F284 HydrophobicContact CZ-CD2 4.24Å; F280-F284 AromaticContact CZ-CE2 3.21Å; F280-F284 HydrophobicContact CZ-CE2 3.21Å; F280-F284 AromaticContact CZ-CZ 3.46Å; F280-F284 HydrophobicContact CZ-CZ 3.46Å; F280-F284 VanDerWaalsContact CZ-CZ 3.46Å; F280-F284 WeakPolarHBondContact O-CD2 3.39Å; F280-Y352 VanDerWaalsContact CA-CE2 3.42Å; F280-Y352 HydrophobicContact CB-CE1 4.32Å; F280-Y352 HydrophobicContact CB-CE2 3.72Å; F280-Y352 WeakPolarHBondContact CB-OH 3.22Å; F280-Y352 AromaticContact CD2-CD1 3.88Å; F280-Y352 HydrophobicContact CD2-CD1 3.88Å; F280-Y352 AromaticContact CD2-CE1 3.27Å; F280-Y352 HydrophobicContact CD2-CE1 3.27Å; F280-Y352 HydrophobicContact CD2-CE2 4.18Å; F280-Y352 AromaticContact CD2-CZ 3.42Å; F280-Y352 VanDerWaalsContact CD2-CZ 3.42Å; F280-Y352 HydrophobicContact CE2-CD1 4.48Å; F280-Y352 AromaticContact CE2-CE1 3.97Å; F280-Y352 HydrophobicContact CE2-CE1 3.97Å; F280-Y352 HydrophobicContact CG-CE1 4.23Å; F280-Y352 HydrophobicContact CG-CE2 4.47Å; F280-Y352 AromaticContact CG-CZ 3.93Å
281V83.8Confident82.1Confident19 Ų1931.4 Ų31.412%0.11516%0.16CC..Hα-helixtrans-61.9-39.3-174.9179.40000112.1M106 T277 M278 S283 F284 L285 E421M106-V281 HydrophobicContact CG-CG2 4.41Å; M106-V281 HydrophobicContact SD-CB 4.46Å; M106-V281 HydrophobicContact SD-CG2 3.34Å; M106-V281 WeakPolarHBondContact SD-CG2 3.34Å; T277-V281 PolarHBondContact O-N 2.85Å; T277-V281 VanDerWaalsContact O-N 3.11Å; M278-V281 PolarHBondContact O-N 3.16Å; V281-S283 VanDerWaalsContact C-N 3.26Å; V281-S283 PolarHBondContact O-N 3.45Å; V281-F284 PolarHBondContact O-N 3.26Å; V281-F284 VanDerWaalsContact O-N 3.11Å; V281-L285 HydrophobicContact CG1-CG 4.43Å; V281-L285 WeakPolarHBondContact O-CG 3.36Å; V281-L285 PolarHBondContact O-N 3.37Å; V281-L285 VanDerWaalsContact O-N 3.15Å; V281-E421 HydrophobicContact CB-CG 4.36Å; V281-E421 HydrophobicContact CG1-CG 3.71Å
282R85.6Confident83.3Confident7 Ų725.9 Ų25.93%0.02613%0.131CC..Hα-helixtrans-58.8-34.2176.7-73.4176.1178.2151.55.5113.4M278 F280 L285 K378 E421 M427M278-R282 WeakPolarHBondContact O-CG 3.4Å; M278-R282 PolarHBondContact O-N 3.11Å; M278-R282 PolarHBondContact SD-NH2 2.63Å; F280-R282 VanDerWaalsContact C-N 3.3Å; F280-R282 PolarHBondContact O-N 3.39Å; R282-L285 PolarHBondContact O-N 3.36Å; R282-K378 HydrophobicContact CG-CG 4.48Å; R282-E421 HydrophobicContact CG-CB 4.2Å; R282-E421 PolarHBondContact NE-O 3.49Å; R282-E421 PolarHBondContact NH2-O 2.81Å; R282-M427 PolarHBondContact NH2-SD 3.02Å
283S81.9Confident84.7Confident4 Ų421 Ų213%0.02811%0.11CC..Hα-helixtrans-67.1-37.3177.171.70000111.8V279 F280 V281V279-S283 PolarHBondContact O-N 3.05Å; F280-S283 PolarHBondContact O-N 3.28Å; F280-S283 VanDerWaalsContact O-N 3.08Å; F280-S283 PolarHBondContact O-OG 2.66Å; V281-S283 VanDerWaalsContact C-N 3.26Å; V281-S283 PolarHBondContact O-N 3.45Å
284F84.2Confident86Confident67 Ų6720.4 Ų20.429%0.29411%0.107SC..Hα-helixtrans-67.7-34.7174.9-68.7-86.5000113F280 V281 V286 G287 E288F280-F284 HydrophobicContact CD1-CD2 4.27Å; F280-F284 AromaticContact CD1-CE2 3.86Å; F280-F284 HydrophobicContact CD1-CE2 3.86Å; F280-F284 HydrophobicContact CD2-CD2 4.41Å; F280-F284 AromaticContact CD2-CE2 3.47Å; F280-F284 HydrophobicContact CD2-CE2 3.47Å; F280-F284 VanDerWaalsContact CD2-CE2 3.47Å; F280-F284 HydrophobicContact CD2-CZ 4.23Å; F280-F284 HydrophobicContact CE1-CD2 4.17Å; F280-F284 AromaticContact CE1-CE2 3.55Å; F280-F284 HydrophobicContact CE1-CE2 3.55Å; F280-F284 HydrophobicContact CE1-CZ 4.16Å; F280-F284 HydrophobicContact CE2-CD2 4.38Å; F280-F284 AromaticContact CE2-CE2 3.19Å; F280-F284 HydrophobicContact CE2-CE2 3.19Å; F280-F284 AromaticContact CE2-CZ 3.52Å; F280-F284 HydrophobicContact CE2-CZ 3.52Å; F280-F284 HydrophobicContact CG-CD2 4.41Å; F280-F284 AromaticContact CG-CE2 3.84Å; F280-F284 HydrophobicContact CG-CE2 3.84Å; F280-F284 HydrophobicContact CZ-CD2 4.24Å; F280-F284 AromaticContact CZ-CE2 3.21Å; F280-F284 HydrophobicContact CZ-CE2 3.21Å; F280-F284 AromaticContact CZ-CZ 3.46Å; F280-F284 HydrophobicContact CZ-CZ 3.46Å; F280-F284 VanDerWaalsContact CZ-CZ 3.46Å; F280-F284 WeakPolarHBondContact O-CD2 3.39Å; V281-F284 PolarHBondContact O-N 3.26Å; V281-F284 VanDerWaalsContact O-N 3.11Å; F284-V286 PolarHBondContact O-N 3.17Å; F284-G287 WeakPolarHBondContact O-CA 3.5Å; F284-G287 PolarHBondContact O-N 2.92Å; F284-E288 PolarHBondContact O-N 3.45Å
285L91.3Very high87.5Confident19 Ų1918.3 Ų18.310%0.0999%0.093CC..Hα-helixtrans-62.3-28.1-178.2-69179.5000113.4V281 R282 E288 A289 K378 F420 E421V281-L285 HydrophobicContact CG1-CG 4.43Å; V281-L285 WeakPolarHBondContact O-CG 3.36Å; V281-L285 PolarHBondContact O-N 3.37Å; V281-L285 VanDerWaalsContact O-N 3.15Å; R282-L285 PolarHBondContact O-N 3.36Å; L285-E288 PolarHBondContact O-N 3.09Å; L285-A289 PolarHBondContact O-N 3.33Å; L285-K378 HydrophobicContact CB-CG 4.11Å; L285-K378 HydrophobicContact CD1-CG 3.89Å; L285-F420 HydrophobicContact CD1-CD1 3.86Å; L285-F420 HydrophobicContact CD1-CE1 3.45Å; L285-F420 VanDerWaalsContact CD1-CE1 3.45Å; L285-F420 HydrophobicContact CD2-CD1 4.45Å; L285-F420 HydrophobicContact CD2-CE1 3.33Å; L285-F420 HydrophobicContact CD2-CZ 3.67Å; L285-F420 HydrophobicContact CG-CE1 4.01Å; L285-E421 HydrophobicContact CD1-CB 3.76Å; L285-E421 HydrophobicContact CD1-CG 3.84Å
286V93.6Very high89Confident0 Ų014.2 Ų14.20%08%0.078CC..Hα-helixtrans-64.4-45.3172.71800000110.7F284 A289 A290 V344 L377 T381F284-V286 PolarHBondContact O-N 3.17Å; V286-A289 WeakPolarHBondContact O-CB 3.24Å; V286-A289 PolarHBondContact O-N 3.47Å; V286-A290 PolarHBondContact O-N 3.49Å; V286-A290 VanDerWaalsContact O-N 3.11Å; V286-V344 HydrophobicContact CG1-CB 4.38Å; V286-V344 HydrophobicContact CG1-CG1 3.93Å; V286-L377 HydrophobicContact CG2-CB 4.05Å; V286-T381 HydrophobicContact CG1-CG2 4.01Å
287G92.3Very high90.3Very high20 Ų2013.2 Ų13.221%0.2067%0.067CC..Hα-helixtrans-66.3-35.9174.800000112.9F284 A290 R291F284-G287 WeakPolarHBondContact O-CA 3.5Å; F284-G287 PolarHBondContact O-N 2.92Å; G287-A290 WeakPolarHBondContact O-CB 3.18Å; G287-A290 PolarHBondContact O-N 3.49Å; G287-R291 WeakPolarHBondContact O-CB 3.41Å; G287-R291 PolarHBondContact O-N 3.25Å
288E92.1Very high91.4Very high32 Ų3213.1 Ų13.115%0.157%0.066CC..Hα-helixtrans-67.1-35.4174.5-68.8-58.2120.500112.3F284 L285 R291 A292F284-E288 PolarHBondContact O-N 3.45Å; L285-E288 PolarHBondContact O-N 3.09Å; E288-R291 PolarHBondContact O-N 3.01Å; E288-R291 IonicContact OE1-NE 2.75Å; E288-R291 IonicContact OE2-CZ 2.64Å; E288-R291 IonicContact OE2-NE 2.75Å; E288-R291 PolarHBondContact OE2-NE 2.96Å; E288-R291 IonicContact OE2-NH2 3.55Å; E288-R291 PolarHBondContact OE2-NH2 2.92Å; E288-A292 WeakPolarHBondContact O-CB 3.49Å; E288-A292 PolarHBondContact O-N 2.82Å
289A96.6Very high92.4Very high0 Ų012.1 Ų12.10%06%0.061CC..Hα-helixtrans-62.2-44.8171.300000112.1L285 V286 L293 A385 F414L285-A289 PolarHBondContact O-N 3.33Å; V286-A289 WeakPolarHBondContact O-CB 3.24Å; V286-A289 PolarHBondContact O-N 3.47Å; A289-L293 WeakPolarHBondContact O-CB 3.47Å; A289-L293 PolarHBondContact O-N 3.35Å; A289-L293 VanDerWaalsContact O-N 3.08Å; A289-A385 HydrophobicContact CB-CB 4.01Å; A289-F414 VanDerWaalsContact CA-CE2 3.41Å; A289-F414 HydrophobicContact CB-CE2 3.96Å; A289-F414 HydrophobicContact CB-CZ 3.62Å
290A96.8Very high93.4Very high0 Ų012 Ų120%06%0.061CC..Hα-helixtrans-58.3-50.4173.900000111.1V286 G287 A292 L293 S294 F341 Q342V286-A290 PolarHBondContact O-N 3.49Å; V286-A290 VanDerWaalsContact O-N 3.11Å; G287-A290 WeakPolarHBondContact O-CB 3.18Å; G287-A290 PolarHBondContact O-N 3.49Å; A290-A292 PolarHBondContact O-N 2.95Å; A290-L293 PolarHBondContact O-N 3.19Å; A290-S294 WeakPolarHBondContact O-CB 3.37Å; A290-S294 PolarHBondContact O-N 3.39Å; A290-S294 PolarHBondContact O-OG 3.4Å; A290-F341 VanDerWaalsContact CB-C 3.48Å; A290-F341 HydrophobicContact CB-CB 3.59Å; A290-Q342 HydrophobicContact CB-CB 4.44Å; A290-Q342 HydrophobicContact CB-CG 3.92Å
291R95.2Very high94.3Very high34 Ų3410 Ų1013%0.1285%0.052CC..Hα-helixtrans-60.8-46.8-179.2-171.9-172.163.470-10112.5G287 E288 S294 K295 F612G287-R291 WeakPolarHBondContact O-CB 3.41Å; G287-R291 PolarHBondContact O-N 3.25Å; E288-R291 PolarHBondContact O-N 3.01Å; E288-R291 IonicContact OE1-NE 2.75Å; E288-R291 IonicContact OE2-CZ 2.64Å; E288-R291 IonicContact OE2-NE 2.75Å; E288-R291 PolarHBondContact OE2-NE 2.96Å; E288-R291 IonicContact OE2-NH2 3.55Å; E288-R291 PolarHBondContact OE2-NH2 2.92Å; R291-S294 PolarHBondContact O-N 2.96Å; R291-K295 WeakPolarHBondContact O-CG 3.12Å; R291-K295 PolarHBondContact O-N 3.29Å; R291-F612 HydrophobicContact CG-CE1 4.27Å; R291-F612 HydrophobicContact CG-CZ 4.28Å
292A96.9Very high95Very high3 Ų39.2 Ų9.23%0.0255%0.047CC..Hα-helixtrans-64.6-42.7-178.900000111.5E288 A290 K295 A296 I389 I410 F414E288-A292 WeakPolarHBondContact O-CB 3.49Å; E288-A292 PolarHBondContact O-N 2.82Å; A290-A292 PolarHBondContact O-N 2.95Å; A292-K295 PolarHBondContact O-N 3.48Å; A292-A296 PolarHBondContact O-N 3.05Å; A292-A296 VanDerWaalsContact O-N 3.14Å; A292-I389 HydrophobicContact CB-CD1 3.88Å; A292-I410 HydrophobicContact CB-CG2 4.4Å; A292-F414 HydrophobicContact CB-CB 4.11Å; A292-F414 HydrophobicContact CB-CD2 3.42Å; A292-F414 VanDerWaalsContact CB-CD2 3.42Å; A292-F414 HydrophobicContact CB-CE2 3.97Å; A292-F414 HydrophobicContact CB-CG 3.73Å
293L98.7Very high95.6Very high0 Ų09.1 Ų9.10%05%0.047CC..Hα-helixtrans-66.3-43.6175.3-173.460000111.7A289 A290 K295 A296 C297 L334 T337 A338 A385 I389A289-L293 WeakPolarHBondContact O-CB 3.47Å; A289-L293 PolarHBondContact O-N 3.35Å; A289-L293 VanDerWaalsContact O-N 3.08Å; A290-L293 PolarHBondContact O-N 3.19Å; L293-K295 VanDerWaalsContact C-N 3.31Å; L293-K295 PolarHBondContact O-N 2.86Å; L293-A296 PolarHBondContact O-N 3.15Å; L293-A296 VanDerWaalsContact O-N 3.16Å; L293-C297 WeakPolarHBondContact O-CB 3.28Å; L293-C297 PolarHBondContact O-N 3.27Å; L293-C297 PolarHBondContact O-SG 3Å; L293-C297 VanDerWaalsContact O-SG 3.37Å; L293-L334 HydrophobicContact CD1-CB 4.36Å; L293-T337 HydrophobicContact CD2-CG2 3.66Å; L293-A338 HydrophobicContact CB-CB 4.42Å; L293-A338 HydrophobicContact CD2-CB 4.18Å; L293-A338 HydrophobicContact CG-CB 4.1Å; L293-A385 HydrophobicContact CB-CB 4.12Å; L293-I389 HydrophobicContact CD1-CG1 4.48Å
294S98.7Very high96.4Very high0 Ų09 Ų90%05%0.045CC..Hα-helixtrans-55.5-44.2174.7-69.20000111.8A290 R291 C297 T298 Q342 F610A290-S294 WeakPolarHBondContact O-CB 3.37Å; A290-S294 PolarHBondContact O-N 3.39Å; A290-S294 PolarHBondContact O-OG 3.4Å; R291-S294 PolarHBondContact O-N 2.96Å; S294-C297 PolarHBondContact O-N 3.33Å; S294-T298 WeakPolarHBondContact O-CB 3.26Å; S294-T298 PolarHBondContact O-N 3.11Å; S294-T298 PolarHBondContact O-OG1 3.45Å; S294-Q342 PolarHBondContact OG-NE2 3.47Å; S294-F610 WeakPolarHBondContact OG-CE1 3.37Å; S294-F610 WeakPolarHBondContact OG-CZ 3.49Å
295K98.4Very high97.1Very high4 Ų45.8 Ų5.82%0.0173%0.031CC..Hα-helixtrans-61.6-46.9176.1-73.1-173.9175.2-1640111.9R291 A292 L293 T298 I299 I410 F612 T616 L617R291-K295 WeakPolarHBondContact O-CG 3.12Å; R291-K295 PolarHBondContact O-N 3.29Å; A292-K295 PolarHBondContact O-N 3.48Å; L293-K295 VanDerWaalsContact C-N 3.31Å; L293-K295 PolarHBondContact O-N 2.86Å; K295-T298 WeakPolarHBondContact O-CB 2.97Å; K295-T298 PolarHBondContact O-N 3.22Å; K295-I299 WeakPolarHBondContact O-CG1 3.09Å; K295-I299 PolarHBondContact O-N 3.28Å; K295-I410 HydrophobicContact CB-CD1 3.86Å; K295-F612 HydrophobicContact CB-CE2 4.37Å; K295-F612 HydrophobicContact CG-CD1 4.35Å; K295-F612 HydrophobicContact CG-CD2 4.04Å; K295-F612 HydrophobicContact CG-CE1 4.07Å; K295-F612 HydrophobicContact CG-CE2 3.71Å; K295-F612 HydrophobicContact CG-CG 4.35Å; K295-F612 HydrophobicContact CG-CZ 3.73Å; K295-T616 VanDerWaalsContact NZ-CG2 3.33Å; K295-T616 PolarHBondContact NZ-O 3.22Å; K295-L617 HydrophobicContact CB-CD2 4.04Å; K295-L617 HydrophobicContact CG-CD2 3.99Å
296A98.8Very high97.5Very high0 Ų05.1 Ų5.10%03%0.028CC..Hα-helixtrans-63.7-43.7-179.900000112A292 L293 T298 I299 A300 I389 C392 L407A292-A296 PolarHBondContact O-N 3.05Å; A292-A296 VanDerWaalsContact O-N 3.14Å; L293-A296 PolarHBondContact O-N 3.15Å; L293-A296 VanDerWaalsContact O-N 3.16Å; A296-T298 VanDerWaalsContact C-N 3.34Å; A296-T298 PolarHBondContact O-N 3.11Å; A296-I299 PolarHBondContact O-N 3.36Å; A296-A300 WeakPolarHBondContact O-CB 3.48Å; A296-A300 PolarHBondContact O-N 3.16Å; A296-I389 HydrophobicContact CB-CB 4.19Å; A296-I389 HydrophobicContact CB-CG1 3.88Å; A296-I389 HydrophobicContact CB-CG2 4.12Å; A296-C392 HydrophobicContact CB-CB 3.93Å; A296-L407 HydrophobicContact CB-CD2 3.73Å
297C98.9Very high97.7Very high0 Ų07.8 Ų7.80%04%0.038CC..Hα-helixtrans-60.7-42.5173.2-710000111.6L293 S294 I299 A300 I301 L335L293-C297 WeakPolarHBondContact O-CB 3.28Å; L293-C297 PolarHBondContact O-N 3.27Å; L293-C297 PolarHBondContact O-SG 3Å; L293-C297 VanDerWaalsContact O-SG 3.37Å; S294-C297 PolarHBondContact O-N 3.33Å; C297-I299 PolarHBondContact O-N 3.15Å; C297-A300 PolarHBondContact O-N 3.36Å; C297-I301 HydrophobicContact CB-CD1 4.34Å; C297-I301 VanDerWaalsContact O-CB 3.25Å; C297-I301 WeakPolarHBondContact O-CB 3.33Å; C297-I301 VanDerWaalsContact O-CG1 3.29Å; C297-I301 WeakPolarHBondContact O-CG1 3.37Å; C297-I301 PolarHBondContact O-N 2.85Å; C297-L335 HydrophobicContact CB-CD1 4.49Å
298T98.9Very high98Very high0 Ų09.8 Ų9.80%04%0.042CC..Hα-helixtrans-57.6-49177.6-56.90000111.5S294 K295 A296 R302 V607 L617S294-T298 WeakPolarHBondContact O-CB 3.26Å; S294-T298 PolarHBondContact O-N 3.11Å; S294-T298 PolarHBondContact O-OG1 3.45Å; K295-T298 WeakPolarHBondContact O-CB 2.97Å; K295-T298 PolarHBondContact O-N 3.22Å; A296-T298 VanDerWaalsContact C-N 3.34Å; A296-T298 PolarHBondContact O-N 3.11Å; T298-R302 WeakPolarHBondContact O-CB 3.5Å; T298-R302 WeakPolarHBondContact O-CG 3.28Å; T298-R302 PolarHBondContact O-N 3.26Å; T298-R302 VanDerWaalsContact O-N 3.08Å; T298-V607 HydrophobicContact CG2-CB 4.12Å; T298-V607 HydrophobicContact CG2-CG2 4.36Å; T298-L617 HydrophobicContact CG2-CD1 3.87Å; T298-L617 HydrophobicContact CG2-CD2 4.33Å
299I98.9Very high98.3Very high0 Ų012 Ų120%05%0.052CC..Hα-helixtrans-62.9-51178.9-64.9162.7000110.5K295 A296 C297 I301 Y303 L407 I410 L617 S619 L621K295-I299 WeakPolarHBondContact O-CG1 3.09Å; K295-I299 PolarHBondContact O-N 3.28Å; A296-I299 PolarHBondContact O-N 3.36Å; C297-I299 PolarHBondContact O-N 3.15Å; I299-I301 PolarHBondContact O-N 2.93Å; I299-Y303 WeakPolarHBondContact O-CB 3.27Å; I299-Y303 PolarHBondContact O-N 3.42Å; I299-L407 HydrophobicContact CB-CD2 4.26Å; I299-L407 HydrophobicContact CB-CG 4.41Å; I299-L407 HydrophobicContact CD1-CD2 4.13Å; I299-L407 HydrophobicContact CD1-CG 4.27Å; I299-L407 HydrophobicContact CG2-CD1 3.87Å; I299-L407 HydrophobicContact CG2-CD2 4.37Å; I299-L407 HydrophobicContact CG2-CG 3.99Å; I299-I410 HydrophobicContact CD1-CD1 3.53Å; I299-L617 HydrophobicContact CG1-CB 4.46Å; I299-L617 HydrophobicContact CG1-CD2 4.29Å; I299-S619 WeakPolarHBondContact CG2-OG 3.42Å; I299-L621 HydrophobicContact CG2-CB 4.17Å
300A98.9Very high98.3Very high0 Ų015.2 Ų15.20%08%0.075CC..Hα-helixtrans-67.3-38.8-174.300000112.8A296 C297 S304 L331 C392A296-A300 WeakPolarHBondContact O-CB 3.48Å; A296-A300 PolarHBondContact O-N 3.16Å; C297-A300 PolarHBondContact O-N 3.36Å; A300-S304 VanDerWaalsContact O-CB 3.23Å; A300-S304 WeakPolarHBondContact O-CB 3.44Å; A300-S304 PolarHBondContact O-N 2.91Å; A300-S304 PolarHBondContact O-OG 3.48Å; A300-L331 HydrophobicContact CB-CD1 4.23Å; A300-L331 HydrophobicContact CB-CD2 3.69Å; A300-C392 HydrophobicContact CB-CB 3.8Å
301I98.9Very high98.2Very high0 Ų020.7 Ų20.70%010%0.101CC..Hα-helixtrans-72.3-47.5180-69.6169.6000110.8C297 I299 Y303 S304 A305 L322 L331 L335 A603 V604 V607C297-I301 HydrophobicContact CB-CD1 4.34Å; C297-I301 VanDerWaalsContact O-CB 3.25Å; C297-I301 WeakPolarHBondContact O-CB 3.33Å; C297-I301 VanDerWaalsContact O-CG1 3.29Å; C297-I301 WeakPolarHBondContact O-CG1 3.37Å; C297-I301 PolarHBondContact O-N 2.85Å; I299-I301 PolarHBondContact O-N 2.93Å; I301-Y303 VanDerWaalsContact C-N 3.32Å; I301-Y303 PolarHBondContact O-N 3.48Å; I301-S304 PolarHBondContact O-N 3.44Å; I301-S304 VanDerWaalsContact O-N 3.15Å; I301-A305 PolarHBondContact O-N 3.25Å; I301-L322 HydrophobicContact CG2-CD2 4.39Å; I301-L331 HydrophobicContact CG1-CB 4.17Å; I301-L331 HydrophobicContact CG1-CD1 4.05Å; I301-L335 HydrophobicContact CD1-CB 4.11Å; I301-L335 HydrophobicContact CD1-CD1 4.21Å; I301-L335 HydrophobicContact CD1-CD2 3.89Å; I301-L335 HydrophobicContact CD1-CG 4.31Å; I301-A603 HydrophobicContact CG2-CB 3.95Å; I301-V604 HydrophobicContact CG2-CG2 4.42Å; I301-V607 HydrophobicContact CB-CG1 4.06Å; I301-V607 HydrophobicContact CB-CG2 4.35Å; I301-V607 HydrophobicContact CD1-CG1 3.59Å; I301-V607 HydrophobicContact CG1-CG1 4.36Å; I301-V607 HydrophobicContact CG2-CG1 4.28Å; I301-V607 HydrophobicContact CG2-CG2 4.11Å
302R98.9Very high98.2Very high3 Ų323.6 Ų23.61%0.01112%0.118CC..Hα-helixtrans-58.4-46174.9-74.1179.7179.3163.55.6111.2T298 S304 A305 V306 V607 D608 G622T298-R302 WeakPolarHBondContact O-CB 3.5Å; T298-R302 WeakPolarHBondContact O-CG 3.28Å; T298-R302 PolarHBondContact O-N 3.26Å; T298-R302 VanDerWaalsContact O-N 3.08Å; R302-S304 VanDerWaalsContact C-N 3.32Å; R302-S304 PolarHBondContact O-N 3.16Å; R302-A305 PolarHBondContact O-N 3.2Å; R302-V306 WeakPolarHBondContact O-CG2 3.46Å; R302-V306 PolarHBondContact O-N 3.23Å; R302-V306 VanDerWaalsContact O-N 3.16Å; R302-V607 HydrophobicContact CG-CG2 4.13Å; R302-D608 IonicContact CZ-OD1 3.62Å; R302-D608 VanDerWaalsContact CZ-OD1 3.23Å; R302-D608 IonicContact NE-OD1 3.55Å; R302-D608 PolarHBondContact NE-OD1 2.99Å; R302-D608 IonicContact NH2-OD1 3Å; R302-D608 PolarHBondContact NH2-OD1 3.45Å; R302-G622 WeakPolarHBondContact CD-O 3.29Å; R302-G622 PolarHBondContact NH1-O 3.14Å
303Y98.9Very high98.1Very high6 Ų629 Ų292%0.02414%0.141CC..Hα-helixtrans-64.3-37.1177.6-177.3-112.7000112.3I299 I301 A305 V306 R307 C396 H399 L621 V628I299-Y303 WeakPolarHBondContact O-CB 3.27Å; I299-Y303 PolarHBondContact O-N 3.42Å; I301-Y303 VanDerWaalsContact C-N 3.32Å; I301-Y303 PolarHBondContact O-N 3.48Å; Y303-A305 VanDerWaalsContact C-N 3.26Å; Y303-A305 PolarHBondContact O-N 3.05Å; Y303-V306 PolarHBondContact O-N 2.63Å; Y303-V306 VanDerWaalsContact O-N 3.09Å; Y303-R307 HydrophobicContact CD1-CB 4.49Å; Y303-R307 HydrophobicContact CE1-CB 4.07Å; Y303-R307 HydrophobicContact CE1-CG 4.33Å; Y303-R307 HydrophobicContact CE2-CB 4.23Å; Y303-R307 VanDerWaalsContact O-CB 3.32Å; Y303-R307 WeakPolarHBondContact O-CB 3.48Å; Y303-R307 PolarHBondContact O-N 3.13Å; Y303-C396 HydrophobicContact CD1-CB 3.82Å; Y303-C396 HydrophobicContact CE1-CB 4.05Å; Y303-C396 WeakPolarHBondContact CE1-O 3.47Å; Y303-H399 AromaticContact CZ-ND1 3.86Å; Y303-H399 PolarHBondContact OH-ND1 3.42Å; Y303-L621 HydrophobicContact CD1-CD1 4.33Å; Y303-L621 HydrophobicContact CD2-CB 3.8Å; Y303-L621 HydrophobicContact CD2-CD1 4.24Å; Y303-L621 HydrophobicContact CD2-CD2 3.98Å; Y303-L621 HydrophobicContact CD2-CG 4.2Å; Y303-L621 HydrophobicContact CE1-CD1 4.41Å; Y303-L621 HydrophobicContact CE2-CD1 4.34Å; Y303-L621 HydrophobicContact CE2-CD2 3.84Å; Y303-L621 HydrophobicContact CE2-CG 4.44Å; Y303-L621 HydrophobicContact CG-CB 3.98Å; Y303-L621 HydrophobicContact CG-CD1 4.24Å; Y303-V628 HydrophobicContact CD2-CG1 4.23Å; Y303-V628 HydrophobicContact CD2-CG2 4.37Å; Y303-V628 HydrophobicContact CE2-CG1 4.04Å
304S98.9Very high97.9Very high0 Ų034.9 Ų34.90%018%0.179CC..Hα-helixtrans-66.4-28177.5-62.20000113.3A300 I301 R302 I321 L322 Q327 L331A300-S304 VanDerWaalsContact O-CB 3.23Å; A300-S304 WeakPolarHBondContact O-CB 3.44Å; A300-S304 PolarHBondContact O-N 2.91Å; A300-S304 PolarHBondContact O-OG 3.48Å; I301-S304 PolarHBondContact O-N 3.44Å; I301-S304 VanDerWaalsContact O-N 3.15Å; R302-S304 VanDerWaalsContact C-N 3.32Å; R302-S304 PolarHBondContact O-N 3.16Å; S304-I321 WeakPolarHBondContact O-CG1 3.12Å; S304-I321 PolarHBondContact O-N 3.05Å; S304-L322 WeakPolarHBondContact O-CB 3.32Å; S304-L322 PolarHBondContact O-N 3.1Å; S304-L322 VanDerWaalsContact O-N 3.1Å; S304-Q327 PolarHBondContact OG-NE2 2.87Å; S304-L331 WeakPolarHBondContact OG-CD1 3.46Å
305A98.8Very high97.6Very high0 Ų038.6 Ų38.60%022%0.217CC..Hα-helixtrans-80.1-20.4172.500000113.3D4 L5 E8 I301 R302 Y303 Q320 L322 V604D4-A305 WeakPolarHBondContact CB-O 3.44Å; L5-A305 HydrophobicContact CD2-CB 3.75Å; E8-A305 HydrophobicContact CG-CB 3.96Å; I301-A305 PolarHBondContact O-N 3.25Å; R302-A305 PolarHBondContact O-N 3.2Å; Y303-A305 VanDerWaalsContact C-N 3.26Å; Y303-A305 PolarHBondContact O-N 3.05Å; A305-Q320 WeakPolarHBondContact O-CG 3.38Å; A305-Q320 PolarHBondContact O-NE2 2.88Å; A305-L322 HydrophobicContact CB-CD2 4.17Å; A305-V604 HydrophobicContact CB-CG2 3.98Å
306V98.8Very high97.5Very high5 Ų543.2 Ų43.23%0.0324%0.239CC..Hα-helixtrans-93-30.2176.8170.80000112.1L5 R302 Y303 H308 V628 Y629L5-V306 HydrophobicContact CD1-CG2 4.23Å; L5-V306 HydrophobicContact CD2-CG2 4.21Å; L5-V306 HydrophobicContact CG-CG2 3.82Å; R302-V306 WeakPolarHBondContact O-CG2 3.46Å; R302-V306 PolarHBondContact O-N 3.23Å; R302-V306 VanDerWaalsContact O-N 3.16Å; Y303-V306 PolarHBondContact O-N 2.63Å; Y303-V306 VanDerWaalsContact O-N 3.09Å; V306-H308 PolarHBondContact O-N 3.41Å; V306-V628 HydrophobicContact CB-CG2 4.37Å; V306-V628 HydrophobicContact CG1-CB 4.16Å; V306-V628 HydrophobicContact CG1-CG2 3.8Å; V306-V628 HydrophobicContact CG2-CG2 4.5Å; V306-Y629 HydrophobicContact CG1-CE2 4.47Å
307R98.6Very high97.4Very high57 Ų5748.8 Ų48.822%0.21528%0.275CS..  trans-83.2120.4-176.3179.459.1-178.1-153.92.8110.2Y303 Q320 I321 Y629Y303-R307 HydrophobicContact CD1-CB 4.49Å; Y303-R307 HydrophobicContact CE1-CB 4.07Å; Y303-R307 HydrophobicContact CE1-CG 4.33Å; Y303-R307 HydrophobicContact CE2-CB 4.23Å; Y303-R307 VanDerWaalsContact O-CB 3.32Å; Y303-R307 WeakPolarHBondContact O-CB 3.48Å; Y303-R307 PolarHBondContact O-N 3.13Å; R307-Q320 CarbonylContact O-C 3.58Å; R307-Q320 WeakPolarHBondContact O-CA 3.46Å; R307-I321 HydrophobicContact CB-CD1 3.88Å; R307-I321 HydrophobicContact CB-CG1 4.02Å; R307-I321 HydrophobicContact CB-CG2 4.5Å; R307-I321 HydrophobicContact CG-CD1 3.91Å; R307-I321 HydrophobicContact CG-CG1 4.27Å; R307-I321 HydrophobicContact CG-CG2 3.97Å; R307-I321 PolarHBondContact O-N 3.47Å; R307-Y629 WeakPolarHBondContact CD-OH 3.41Å; R307-Y629 PolarHBondContact NH1-OH 3.1Å
308H98.5Very high97.3Very high61 Ų6153 Ų5328%0.28229%0.294SS..BIsolated β-bridgetrans-99.1133.3167.2-69.6-124.7000109D4 V306 E318 P319 Q320D4-H308 IonicContact OD1-NE2 3.98Å; D4-H308 IonicContact OD2-CD2 2.76Å; D4-H308 IonicContact OD2-NE2 2.91Å; D4-H308 PolarHBondContact OD2-NE2 3Å; V306-H308 PolarHBondContact O-N 3.41Å; H308-E318 HydrophobicContact CB-CB 4.12Å; H308-E318 PolarHBondContact ND1-O 3.21Å; H308-P319 VanDerWaalsContact CA-O 3.26Å; H308-P319 WeakPolarHBondContact CA-O 3.44Å; H308-Q320 VanDerWaalsContact NE2-CG 3.32Å; H308-Q320 WeakPolarHBondContact NE2-CG 3.49Å
309Q97.8Very high97.3Very high78 Ų7854 Ų5436%0.36430%0.301SS..  trans-162.6144.5176.2-164.768.82000112.4E318 P319 I321 F324Q309-E318 VanDerWaalsContact C-OE2 3.29Å; Q309-E318 WeakPolarHBondContact CA-OE2 3.38Å; Q309-P319 PolarHBondContact N-O 3.03Å; Q309-I321 HydrophobicContact CB-CG2 3.73Å; Q309-F324 WeakPolarHBondContact O-CE2 3.33Å
310S96.8Very high97.3Very high69 Ų6954.8 Ų54.848%0.48330%0.304SS..SBendtrans64.8-162176-45.70000111.7E318 P319S310-E318 PolarHBondContact N-OE2 2.88Å; S310-E318 WeakPolarHBondContact O-CA 3.34Å; S310-E318 WeakPolarHBondContact O-CB 3.3Å; S310-E318 WeakPolarHBondContact O-CG 3.48Å; S310-P319 VanDerWaalsContact O-CD 3.27Å; S310-P319 WeakPolarHBondContact O-CD 3.43Å
311E95.1Very high97.3Very high115 Ų11555.8 Ų55.854%0.53731%0.31SS..  trans-137.2140.3-174.6-60.1178.2-175.500110.1P314E311-P314 WeakPolarHBondContact OE2-CA 3.44Å
312I95.1Very high97.3Very high95 Ų9555.8 Ų55.849%0.48731%0.31SS..SBendtrans-93.3-45.4165.6-69.8168.7000109.4P319 D323 F324I312-P319 HydrophobicContact CB-CG 4.37Å; I312-P319 HydrophobicContact CD1-CB 4.05Å; I312-P319 HydrophobicContact CD1-CG 3.73Å; I312-P319 HydrophobicContact CG1-CG 3.77Å; I312-D323 HydrophobicContact CD1-CB 3.83Å; I312-F324 HydrophobicContact CD1-CD1 4.34Å; I312-F324 HydrophobicContact CD1-CE1 4.22Å; I312-F324 HydrophobicContact CG1-CD1 3.89Å; I312-F324 HydrophobicContact CG1-CE1 3.41Å; I312-F324 VanDerWaalsContact CG1-CE1 3.41Å; I312-F324 HydrophobicContact CG1-CZ 3.94Å
313K94.9Very high97.2Very high117 Ų11758.4 Ų58.451%0.50932%0.324SS..SBendtrans-118126.7175.1-70171.1-176.6170.50108.8G315 E316K313-G315 PolarHBondContact O-N 3.21Å; K313-E316 HydrophobicContact CB-CB 4.43Å; K313-E316 HydrophobicContact CB-CG 4.08Å; K313-E316 VanDerWaalsContact CD-CD 3.42Å; K313-E316 WeakPolarHBondContact CD-OE1 3.45Å; K313-E316 WeakPolarHBondContact CD-OE2 3.3Å; K313-E316 IonicContact NZ-OE1 3.81Å; K313-E316 PolarHBondContact NZ-OE1 3.22Å; K313-E316 IonicContact NZ-OE2 2.8Å; K313-E316 PolarHBondContact O-N 3.09Å
314P94.5Very high97.2Very high123 Ų12360.5 Ų60.580%0.79933%0.333SS*.THydrogen-bonded Turntrans-56.2130.9179.3-26.734.9000112.4E311 E316E311-P314 WeakPolarHBondContact OE2-CA 3.44Å; P314-E316 VanDerWaalsContact C-N 3.33Å; P314-E316 PolarHBondContact O-N 3.11Å
315G92.9Very high97.2Very high77 Ų7764.7 Ų64.779%0.79435%0.353SS*.THydrogen-bonded Turntrans82.9-2.8177.400000116K313K313-G315 PolarHBondContact O-N 3.21Å
316E95.4Very high97.2Very high102 Ų10269.2 Ų69.248%0.47738%0.381SS..SBendtrans-83.1155.5164.8-68.9-173-174.900110.3K313 P314K313-E316 HydrophobicContact CB-CB 4.43Å; K313-E316 HydrophobicContact CB-CG 4.08Å; K313-E316 VanDerWaalsContact CD-CD 3.42Å; K313-E316 WeakPolarHBondContact CD-OE1 3.45Å; K313-E316 WeakPolarHBondContact CD-OE2 3.3Å; K313-E316 IonicContact NZ-OE1 3.81Å; K313-E316 PolarHBondContact NZ-OE1 3.22Å; K313-E316 IonicContact NZ-OE2 2.8Å; K313-E316 PolarHBondContact O-N 3.09Å; P314-E316 VanDerWaalsContact C-N 3.33Å; P314-E316 PolarHBondContact O-N 3.11Å
317P96.3Very high97.2Very high116 Ų11669.7 Ų69.775%0.75338%0.383SS*.PPolyproline II helixtrans-55.3149.4172.6-24.134.2000111.9
318E98.1Very high97.2Very high89 Ų8967.5 Ų67.542%0.41638%0.375SS..PPolyproline II helixtrans-53.8124.5178-59.9-172.3-100.200109.7H308 Q309 S310H308-E318 HydrophobicContact CB-CB 4.12Å; H308-E318 PolarHBondContact ND1-O 3.21Å; Q309-E318 VanDerWaalsContact C-OE2 3.29Å; Q309-E318 WeakPolarHBondContact CA-OE2 3.38Å; S310-E318 PolarHBondContact N-OE2 2.88Å; S310-E318 WeakPolarHBondContact O-CA 3.34Å; S310-E318 WeakPolarHBondContact O-CB 3.3Å; S310-E318 WeakPolarHBondContact O-CG 3.48Å
319P98.1Very high97.2Very high22 Ų2268.1 Ų68.114%0.14338%0.375CS..PPolyproline II helixtrans-78.3166-179.331.4-31.7000110.5H308 Q309 S310 I312 I321 D323 F324H308-P319 VanDerWaalsContact CA-O 3.26Å; H308-P319 WeakPolarHBondContact CA-O 3.44Å; Q309-P319 PolarHBondContact N-O 3.03Å; S310-P319 VanDerWaalsContact O-CD 3.27Å; S310-P319 WeakPolarHBondContact O-CD 3.43Å; I312-P319 HydrophobicContact CB-CG 4.37Å; I312-P319 HydrophobicContact CD1-CB 4.05Å; I312-P319 HydrophobicContact CD1-CG 3.73Å; I312-P319 HydrophobicContact CG1-CG 3.77Å; P319-I321 PolarHBondContact O-N 3.32Å; P319-D323 HydrophobicContact CB-CB 4.42Å; P319-F324 HydrophobicContact CG-CE2 4.21Å; P319-F324 HydrophobicContact CG-CZ 3.96Å
320Q98.6Very high97.2Very high15 Ų1569.6 Ų69.67%0.0738%0.38CS..BIsolated β-bridgetrans-59.2137.6168.5-65.6165.9-60.800108.5E8 A305 R307 H308 L322 D323E8-Q320 PolarHBondContact OE1-NE2 2.97Å; E8-Q320 PolarHBondContact OE1-OE1 2.67Å; A305-Q320 WeakPolarHBondContact O-CG 3.38Å; A305-Q320 PolarHBondContact O-NE2 2.88Å; R307-Q320 CarbonylContact O-C 3.58Å; R307-Q320 WeakPolarHBondContact O-CA 3.46Å; H308-Q320 VanDerWaalsContact NE2-CG 3.32Å; H308-Q320 WeakPolarHBondContact NE2-CG 3.49Å; Q320-L322 PolarHBondContact O-N 3.15Å; Q320-D323 VanDerWaalsContact O-CB 3.31Å; Q320-D323 WeakPolarHBondContact O-CB 3.27Å; Q320-D323 PolarHBondContact O-N 3.06Å
321I98.8Very high97.3Very high22 Ų2266.3 Ų66.311%0.11336%0.357CS..G310 helixtrans-64.4-20.1-179.764.4171.3000112S304 R307 Q309 P319 D323 F324 Q327S304-I321 WeakPolarHBondContact O-CG1 3.12Å; S304-I321 PolarHBondContact O-N 3.05Å; R307-I321 HydrophobicContact CB-CD1 3.88Å; R307-I321 HydrophobicContact CB-CG1 4.02Å; R307-I321 HydrophobicContact CB-CG2 4.5Å; R307-I321 HydrophobicContact CG-CD1 3.91Å; R307-I321 HydrophobicContact CG-CG1 4.27Å; R307-I321 HydrophobicContact CG-CG2 3.97Å; R307-I321 PolarHBondContact O-N 3.47Å; Q309-I321 HydrophobicContact CB-CG2 3.73Å; P319-I321 PolarHBondContact O-N 3.32Å; I321-D323 PolarHBondContact O-N 2.83Å; I321-F324 HydrophobicContact CB-CD2 4.29Å; I321-F324 HydrophobicContact CG2-CE2 4.42Å; I321-F324 WeakPolarHBondContact O-CD2 3.41Å; I321-F324 PolarHBondContact O-N 3.17Å; I321-Q327 WeakPolarHBondContact O-CB 3.29Å; I321-Q327 WeakPolarHBondContact O-CG 3.4Å
322L98.8Very high97.5Very high0 Ų060.9 Ų60.90%033%0.332CS..G310 helixtrans-64.5-16.4172.5-163.557.8000113.4I301 S304 A305 Q320 F324 Q328 L331 F332 R600 A603I301-L322 HydrophobicContact CG2-CD2 4.39Å; S304-L322 WeakPolarHBondContact O-CB 3.32Å; S304-L322 PolarHBondContact O-N 3.1Å; S304-L322 VanDerWaalsContact O-N 3.1Å; A305-L322 HydrophobicContact CB-CD2 4.17Å; Q320-L322 PolarHBondContact O-N 3.15Å; L322-F324 VanDerWaalsContact C-N 3.35Å; L322-Q328 WeakPolarHBondContact O-CG 3.35Å; L322-Q328 PolarHBondContact O-NE2 3.38Å; L322-L331 HydrophobicContact CD1-CD1 4.47Å; L322-F332 HydrophobicContact CD1-CE1 3.78Å; L322-F332 HydrophobicContact CD1-CZ 3.85Å; L322-F332 HydrophobicContact CG-CZ 4.31Å; L322-R600 WeakPolarHBondContact O-CD 3.29Å; L322-R600 PolarHBondContact O-NE 2.82Å; L322-A603 HydrophobicContact CD2-CB 4.31Å
323D98.5Very high97.7Very high58 Ų5856.4 Ų56.431%0.3131%0.309SS..G310 helixtrans-78.3-19.8177.4-63.9-21.3000112.9I312 P319 Q320 I321 Q325 Q328 R600I312-D323 HydrophobicContact CD1-CB 3.83Å; P319-D323 HydrophobicContact CB-CB 4.42Å; Q320-D323 VanDerWaalsContact O-CB 3.31Å; Q320-D323 WeakPolarHBondContact O-CB 3.27Å; Q320-D323 PolarHBondContact O-N 3.06Å; I321-D323 PolarHBondContact O-N 2.83Å; D323-Q325 PolarHBondContact O-N 3.29Å; D323-Q328 PolarHBondContact O-NE2 3.5Å; D323-R600 IonicContact OD1-CZ 2.67Å; D323-R600 IonicContact OD1-NE 3.24Å; D323-R600 PolarHBondContact OD1-NE 3.28Å; D323-R600 IonicContact OD1-NH2 3.95Å; D323-R600 PolarHBondContact OD1-NH2 3.01Å
324F98.7Very high97.9Very high49 Ų4951.9 Ų51.922%0.21529%0.29CS..SBendtrans-71.9125.7175-64.3-75.2000110.6Q309 I312 P319 I321 L322 T326 Q327 Q328Q309-F324 WeakPolarHBondContact O-CE2 3.33Å; I312-F324 HydrophobicContact CD1-CD1 4.34Å; I312-F324 HydrophobicContact CD1-CE1 4.22Å; I312-F324 HydrophobicContact CG1-CD1 3.89Å; I312-F324 HydrophobicContact CG1-CE1 3.41Å; I312-F324 VanDerWaalsContact CG1-CE1 3.41Å; I312-F324 HydrophobicContact CG1-CZ 3.94Å; P319-F324 HydrophobicContact CG-CE2 4.21Å; P319-F324 HydrophobicContact CG-CZ 3.96Å; I321-F324 HydrophobicContact CB-CD2 4.29Å; I321-F324 HydrophobicContact CG2-CE2 4.42Å; I321-F324 WeakPolarHBondContact O-CD2 3.41Å; I321-F324 PolarHBondContact O-N 3.17Å; L322-F324 VanDerWaalsContact C-N 3.35Å; F324-T326 PolarHBondContact O-N 3.3Å; F324-T326 VanDerWaalsContact O-N 3.08Å; F324-Q327 HydrophobicContact CB-CB 4.33Å; F324-Q327 WeakPolarHBondContact O-CA 3.3Å; F324-Q327 WeakPolarHBondContact O-CB 3.49Å; F324-Q327 PolarHBondContact O-N 3.4Å; F324-Q328 PolarHBondContact O-N 3.37Å; F324-Q328 VanDerWaalsContact O-N 3.11Å
325Q98.2Very high98.1Very high89 Ų8946 Ų4642%0.41625%0.252SS..Hα-helixtrans-55.4-31.8177.9-174.3174.391.200112.5D323 Q328 Y329 L596D323-Q325 PolarHBondContact O-N 3.29Å; Q325-Q328 PolarHBondContact O-N 3.08Å; Q325-Y329 VanDerWaalsContact O-CB 3.26Å; Q325-Y329 WeakPolarHBondContact O-CB 2.88Å; Q325-Y329 PolarHBondContact O-N 3.46Å; Q325-L596 HydrophobicContact CG-CD1 4.1Å
326T98.5Very high98.4Very high95 Ų9542.3 Ų42.358%0.58321%0.214SC*.Hα-helixtrans-68.2-32.3175.1500000113.2F324 K330F324-T326 PolarHBondContact O-N 3.3Å; F324-T326 VanDerWaalsContact O-N 3.08Å; T326-K330 VanDerWaalsContact O-CG 3.26Å; T326-K330 WeakPolarHBondContact O-CG 3.47Å; T326-K330 PolarHBondContact O-N 3.1Å
327Q98.9Very high98.6Very high15 Ų1537.8 Ų37.87%0.0719%0.194CC..Hα-helixtrans-72.4-43.3174.9-17070.5-8.900110.3S304 I321 F324 Y329 K330 L331 A395S304-Q327 PolarHBondContact OG-NE2 2.87Å; I321-Q327 WeakPolarHBondContact O-CB 3.29Å; I321-Q327 WeakPolarHBondContact O-CG 3.4Å; F324-Q327 HydrophobicContact CB-CB 4.33Å; F324-Q327 WeakPolarHBondContact O-CA 3.3Å; F324-Q327 WeakPolarHBondContact O-CB 3.49Å; F324-Q327 PolarHBondContact O-N 3.4Å; Q327-Y329 PolarHBondContact O-N 3.12Å; Q327-K330 PolarHBondContact O-N 3.06Å; Q327-L331 HydrophobicContact CG-CD1 4.09Å; Q327-L331 WeakPolarHBondContact O-CG 3.33Å; Q327-L331 PolarHBondContact O-N 3.33Å; Q327-A395 PolarHBondContact NE2-O 3.09Å
328Q98.8Very high98.7Very high10 Ų1032.3 Ų32.35%0.04716%0.158CC..Hα-helixtrans-60.1-45.9174.4-60.7171.88.100111.4L322 D323 F324 Q325 K330 L331 F332 L596L322-Q328 WeakPolarHBondContact O-CG 3.35Å; L322-Q328 PolarHBondContact O-NE2 3.38Å; D323-Q328 PolarHBondContact O-NE2 3.5Å; F324-Q328 PolarHBondContact O-N 3.37Å; F324-Q328 VanDerWaalsContact O-N 3.11Å; Q325-Q328 PolarHBondContact O-N 3.08Å; Q328-K330 VanDerWaalsContact C-N 3.26Å; Q328-K330 PolarHBondContact O-N 2.97Å; Q328-L331 PolarHBondContact O-N 2.89Å; Q328-F332 HydrophobicContact CB-CD2 3.73Å; Q328-F332 HydrophobicContact CB-CE2 3.6Å; Q328-F332 HydrophobicContact CB-CG 4.42Å; Q328-F332 HydrophobicContact CB-CZ 4.2Å; Q328-F332 HydrophobicContact CG-CD2 4.2Å; Q328-F332 HydrophobicContact CG-CE2 3.53Å; Q328-F332 HydrophobicContact CG-CZ 3.86Å; Q328-F332 WeakPolarHBondContact O-CB 3.21Å; Q328-F332 PolarHBondContact O-N 3.2Å; Q328-L596 HydrophobicContact CB-CB 4.06Å; Q328-L596 HydrophobicContact CB-CD1 4.11Å; Q328-L596 HydrophobicContact CB-CD2 4.3Å; Q328-L596 HydrophobicContact CB-CG 4.38Å
329Y98.7Very high98.7Very high75 Ų7528 Ų2829%0.29414%0.138SC..Hα-helixtrans-63.1-30.9178.5-171.8-92.5000112.7Q325 Q327 P333 Y565 Q569 V592 L596Q325-Y329 VanDerWaalsContact O-CB 3.26Å; Q325-Y329 WeakPolarHBondContact O-CB 2.88Å; Q325-Y329 PolarHBondContact O-N 3.46Å; Q327-Y329 PolarHBondContact O-N 3.12Å; Y329-P333 WeakPolarHBondContact O-CD 3.42Å; Y329-P333 VanDerWaalsContact O-CG 3.27Å; Y329-P333 WeakPolarHBondContact O-CG 3.44Å; Y329-Y565 AromaticContact CE1-CE2 3.93Å; Y329-Y565 HydrophobicContact CE1-CE2 3.93Å; Y329-Y565 HydrophobicContact CE2-CD2 4.26Å; Y329-Y565 HydrophobicContact CE2-CE2 4.15Å; Y329-Y565 AromaticContact CZ-CE2 3.63Å; Y329-Q569 PolarHBondContact OH-NE2 3.13Å; Y329-V592 HydrophobicContact CD2-CG1 4.2Å; Y329-V592 HydrophobicContact CE2-CG1 4Å; Y329-L596 HydrophobicContact CD2-CD1 4.09Å; Y329-L596 HydrophobicContact CG-CD1 4.47Å
330K98.5Very high98.7Very high109 Ų10927 Ų2747%0.47413%0.131SC..Hα-helixtrans-72.6-42.2173.3-73.8170.8-175.3178.40112.3T326 Q327 Q328 L334T326-K330 VanDerWaalsContact O-CG 3.26Å; T326-K330 WeakPolarHBondContact O-CG 3.47Å; T326-K330 PolarHBondContact O-N 3.1Å; Q327-K330 PolarHBondContact O-N 3.06Å; Q328-K330 VanDerWaalsContact C-N 3.26Å; Q328-K330 PolarHBondContact O-N 2.97Å; K330-L334 VanDerWaalsContact O-CD1 3.3Å; K330-L334 WeakPolarHBondContact O-CD1 3.49Å; K330-L334 WeakPolarHBondContact O-CG 3.21Å
331L98.9Very high98.7Very high0 Ų026.3 Ų26.30%013%0.128CC..Hα-helixtrans-97.2-41.2-166.3-65-179.4000114.4A300 I301 S304 L322 Q327 Q328 L334 L335 A395A300-L331 HydrophobicContact CB-CD1 4.23Å; A300-L331 HydrophobicContact CB-CD2 3.69Å; I301-L331 HydrophobicContact CG1-CB 4.17Å; I301-L331 HydrophobicContact CG1-CD1 4.05Å; S304-L331 WeakPolarHBondContact OG-CD1 3.46Å; L322-L331 HydrophobicContact CD1-CD1 4.47Å; Q327-L331 HydrophobicContact CG-CD1 4.09Å; Q327-L331 WeakPolarHBondContact O-CG 3.33Å; Q327-L331 PolarHBondContact O-N 3.33Å; Q328-L331 PolarHBondContact O-N 2.89Å; L331-L334 WeakPolarHBondContact O-CB 3.25Å; L331-L334 PolarHBondContact O-N 2.84Å; L331-L334 VanDerWaalsContact O-N 3.16Å; L331-L335 PolarHBondContact O-N 3.31Å; L331-A395 HydrophobicContact CD2-CB 3.77Å; L331-A395 HydrophobicContact CG-CB 4.3Å
332F98.9Very high98.7Very high0 Ų027.4 Ų27.40%013%0.133CC..Hα-helixtrans-70.8-35.4-172.5-60.9-13.9000113.8L322 Q328 L334 L335 A336 L561 L596 I599 R600 A603L322-F332 HydrophobicContact CD1-CE1 3.78Å; L322-F332 HydrophobicContact CD1-CZ 3.85Å; L322-F332 HydrophobicContact CG-CZ 4.31Å; Q328-F332 HydrophobicContact CB-CD2 3.73Å; Q328-F332 HydrophobicContact CB-CE2 3.6Å; Q328-F332 HydrophobicContact CB-CG 4.42Å; Q328-F332 HydrophobicContact CB-CZ 4.2Å; Q328-F332 HydrophobicContact CG-CD2 4.2Å; Q328-F332 HydrophobicContact CG-CE2 3.53Å; Q328-F332 HydrophobicContact CG-CZ 3.86Å; Q328-F332 WeakPolarHBondContact O-CB 3.21Å; Q328-F332 PolarHBondContact O-N 3.2Å; F332-L334 VanDerWaalsContact C-N 3.26Å; F332-L334 PolarHBondContact O-N 2.96Å; F332-L335 WeakPolarHBondContact O-CB 3.17Å; F332-L335 PolarHBondContact O-N 3.1Å; F332-A336 WeakPolarHBondContact O-CB 3.42Å; F332-A336 PolarHBondContact O-N 3.49Å; F332-L561 HydrophobicContact CB-CD2 3.67Å; F332-L596 HydrophobicContact CB-CD2 3.79Å; F332-L596 HydrophobicContact CD2-CB 4.27Å; F332-L596 HydrophobicContact CD2-CD2 3.85Å; F332-L596 VanDerWaalsContact CE2-O 3.31Å; F332-L596 WeakPolarHBondContact CE2-O 3.22Å; F332-L596 HydrophobicContact CG-CD2 4.27Å; F332-I599 HydrophobicContact CB-CG2 4.45Å; F332-I599 HydrophobicContact CD1-CG2 4.42Å; F332-I599 HydrophobicContact CD2-CB 4.13Å; F332-I599 HydrophobicContact CD2-CG2 3.95Å; F332-I599 HydrophobicContact CE2-CB 4.43Å; F332-I599 HydrophobicContact CE2-CG2 4.27Å; F332-I599 HydrophobicContact CG-CG2 4.05Å; F332-R600 HydrophobicContact CE2-CB 4.16Å; F332-R600 HydrophobicContact CZ-CB 4.44Å; F332-A603 HydrophobicContact CD1-CB 4.48Å; F332-A603 HydrophobicContact CE1-CB 3.53Å; F332-A603 HydrophobicContact CZ-CB 3.73Å
333P98.9Very high98.6Very high1 Ų128.1 Ų28.11%0.00614%0.136CC..Hα-helixtrans-59.3-38.9169.1-27.638000112.2Y329 A336 T337 L561 Y565Y329-P333 WeakPolarHBondContact O-CD 3.42Å; Y329-P333 VanDerWaalsContact O-CG 3.27Å; Y329-P333 WeakPolarHBondContact O-CG 3.44Å; P333-A336 PolarHBondContact O-N 3.49Å; P333-T337 PolarHBondContact O-N 3.4Å; P333-T337 PolarHBondContact O-OG1 3.09Å; P333-L561 HydrophobicContact CG-CD1 4.45Å; P333-L561 HydrophobicContact CG-CD2 4.46Å; P333-Y565 HydrophobicContact CB-CD1 3.85Å; P333-Y565 HydrophobicContact CB-CD2 3.85Å; P333-Y565 HydrophobicContact CB-CE1 4.06Å; P333-Y565 HydrophobicContact CB-CE2 4.06Å; P333-Y565 HydrophobicContact CB-CG 3.74Å; P333-Y565 HydrophobicContact CG-CD2 3.68Å; P333-Y565 HydrophobicContact CG-CE2 3.9Å; P333-Y565 HydrophobicContact CG-CG 4.05Å
334L98.9Very high98.4Very high22 Ų2225.4 Ų25.412%0.11512%0.121CC..Hα-helixtrans-69.3-36.4176.8-60178.3000112.4L293 K330 L331 F332 T337 A338 G388 A391L293-L334 HydrophobicContact CD1-CB 4.36Å; K330-L334 VanDerWaalsContact O-CD1 3.3Å; K330-L334 WeakPolarHBondContact O-CD1 3.49Å; K330-L334 WeakPolarHBondContact O-CG 3.21Å; L331-L334 WeakPolarHBondContact O-CB 3.25Å; L331-L334 PolarHBondContact O-N 2.84Å; L331-L334 VanDerWaalsContact O-N 3.16Å; F332-L334 VanDerWaalsContact C-N 3.26Å; F332-L334 PolarHBondContact O-N 2.96Å; L334-T337 WeakPolarHBondContact O-CB 3.25Å; L334-T337 PolarHBondContact O-N 2.92Å; L334-A338 WeakPolarHBondContact O-CB 3.49Å; L334-A338 PolarHBondContact O-N 2.9Å; L334-G388 WeakPolarHBondContact CD1-O 3.4Å; L334-A391 HydrophobicContact CD1-CB 3.91Å
335L98.9Very high98.2Very high0 Ų023.5 Ų23.50%012%0.116CC..Hα-helixtrans-60.8-47171.2-18062.8000110.9C297 I301 L331 F332 T337 A338 Y339 L558 L606 V607 F610C297-L335 HydrophobicContact CB-CD1 4.49Å; I301-L335 HydrophobicContact CD1-CB 4.11Å; I301-L335 HydrophobicContact CD1-CD1 4.21Å; I301-L335 HydrophobicContact CD1-CD2 3.89Å; I301-L335 HydrophobicContact CD1-CG 4.31Å; L331-L335 PolarHBondContact O-N 3.31Å; F332-L335 WeakPolarHBondContact O-CB 3.17Å; F332-L335 PolarHBondContact O-N 3.1Å; L335-T337 VanDerWaalsContact C-N 3.34Å; L335-T337 PolarHBondContact O-N 3.27Å; L335-A338 WeakPolarHBondContact O-CB 3.43Å; L335-A338 PolarHBondContact O-N 3.39Å; L335-A338 VanDerWaalsContact O-N 3.16Å; L335-Y339 HydrophobicContact CD1-CD2 4.29Å; L335-Y339 HydrophobicContact CD1-CE2 3.94Å; L335-Y339 HydrophobicContact CG-CD2 4.49Å; L335-Y339 HydrophobicContact CG-CE2 4.4Å; L335-Y339 WeakPolarHBondContact O-CD2 3.35Å; L335-Y339 PolarHBondContact O-N 2.99Å; L335-L558 HydrophobicContact CD2-CD2 4.32Å; L335-L558 HydrophobicContact CG-CD2 4.3Å; L335-L606 HydrophobicContact CD1-CB 4.47Å; L335-L606 HydrophobicContact CD2-CB 3.93Å; L335-L606 HydrophobicContact CD2-CD1 3.78Å; L335-V607 HydrophobicContact CD1-CG1 3.74Å; L335-F610 HydrophobicContact CD1-CE2 3.88Å; L335-F610 HydrophobicContact CD1-CZ 4.19Å
336A98.9Very high98Very high0 Ų021.6 Ų21.60%012%0.115CC..Hα-helixtrans-61.7-4217600000112F332 P333 A338 Y339 A340 L558 L561F332-A336 WeakPolarHBondContact O-CB 3.42Å; F332-A336 PolarHBondContact O-N 3.49Å; P333-A336 PolarHBondContact O-N 3.49Å; A336-A338 VanDerWaalsContact C-N 3.33Å; A336-A338 PolarHBondContact O-N 2.89Å; A336-Y339 PolarHBondContact O-N 3.17Å; A336-A340 WeakPolarHBondContact O-CB 3.34Å; A336-A340 PolarHBondContact O-N 3.41Å; A336-L558 HydrophobicContact CB-CB 4.04Å; A336-L558 HydrophobicContact CB-CD2 3.89Å; A336-L558 WeakPolarHBondContact CB-O 3.21Å; A336-L561 HydrophobicContact CB-CB 4.47Å; A336-L561 HydrophobicContact CB-CD2 4.43Å
337T98.9Very high97.8Very high7 Ų719.8 Ų19.84%0.04310%0.098CC..Hα-helixtrans-59.5-41172.6-59.60000112.2L293 P333 L334 L335 Y339 A340 F341 T384 Y562L293-T337 HydrophobicContact CD2-CG2 3.66Å; P333-T337 PolarHBondContact O-N 3.4Å; P333-T337 PolarHBondContact O-OG1 3.09Å; L334-T337 WeakPolarHBondContact O-CB 3.25Å; L334-T337 PolarHBondContact O-N 2.92Å; L335-T337 VanDerWaalsContact C-N 3.34Å; L335-T337 PolarHBondContact O-N 3.27Å; T337-Y339 PolarHBondContact O-N 3.35Å; T337-A340 WeakPolarHBondContact O-CB 3.4Å; T337-A340 PolarHBondContact O-N 3.38Å; T337-F341 HydrophobicContact CG2-CD1 4.2Å; T337-F341 HydrophobicContact CG2-CD2 3.94Å; T337-F341 HydrophobicContact CG2-CE1 3.79Å; T337-F341 HydrophobicContact CG2-CE2 3.5Å; T337-F341 HydrophobicContact CG2-CG 4.28Å; T337-F341 HydrophobicContact CG2-CZ 3.42Å; T337-F341 VanDerWaalsContact CG2-CZ 3.42Å; T337-F341 WeakPolarHBondContact O-CG 3.44Å; T337-F341 PolarHBondContact O-N 2.92Å; T337-T384 HydrophobicContact CG2-CG2 3.79Å; T337-Y562 HydrophobicContact CG2-CE2 4.15Å; T337-Y562 WeakPolarHBondContact OG1-CD2 3.42Å
338A98.8Very high97.5Very high0 Ų019 Ų190%09%0.094CC..Hα-helixtrans-59.5-48.1178.700000111.1L293 L334 L335 A336 F341 Q342 F610L293-A338 HydrophobicContact CB-CB 4.42Å; L293-A338 HydrophobicContact CD2-CB 4.18Å; L293-A338 HydrophobicContact CG-CB 4.1Å; L334-A338 WeakPolarHBondContact O-CB 3.49Å; L334-A338 PolarHBondContact O-N 2.9Å; L335-A338 WeakPolarHBondContact O-CB 3.43Å; L335-A338 PolarHBondContact O-N 3.39Å; L335-A338 VanDerWaalsContact O-N 3.16Å; A336-A338 VanDerWaalsContact C-N 3.33Å; A336-A338 PolarHBondContact O-N 2.89Å; A338-F341 PolarHBondContact O-N 3.29Å; A338-Q342 WeakPolarHBondContact O-CG 3.33Å; A338-Q342 PolarHBondContact O-N 3.27Å; A338-F610 HydrophobicContact CB-CZ 4.13Å
339Y98.8Very high97Very high0 Ų021.9 Ų21.90%011%0.106CC..Hα-helixtrans-63.5-42.5174.7-82.1-80.5000113.1L19 L23 L335 A336 T337 F341 Q342 F343 L555 L558 L606 F610L19-Y339 HydrophobicContact CD1-CE1 4.02Å; L19-Y339 HydrophobicContact CD2-CE1 3.77Å; L19-Y339 WeakPolarHBondContact CD2-OH 3.44Å; L19-Y339 HydrophobicContact CG-CE1 4.02Å; L23-Y339 HydrophobicContact CD1-CE1 4.12Å; L23-Y339 HydrophobicContact CD2-CD1 4.17Å; L23-Y339 HydrophobicContact CD2-CE1 4.06Å; L23-Y339 HydrophobicContact CG-CE1 4.48Å; L335-Y339 HydrophobicContact CD1-CD2 4.29Å; L335-Y339 HydrophobicContact CD1-CE2 3.94Å; L335-Y339 HydrophobicContact CG-CD2 4.49Å; L335-Y339 HydrophobicContact CG-CE2 4.4Å; L335-Y339 WeakPolarHBondContact O-CD2 3.35Å; L335-Y339 PolarHBondContact O-N 2.99Å; A336-Y339 PolarHBondContact O-N 3.17Å; T337-Y339 PolarHBondContact O-N 3.35Å; Y339-F341 VanDerWaalsContact C-N 3.27Å; Y339-F341 PolarHBondContact O-N 3.23Å; Y339-Q342 WeakPolarHBondContact O-CB 3.17Å; Y339-Q342 PolarHBondContact O-N 3.47Å; Y339-F343 HydrophobicContact CD1-CZ 4.28Å; Y339-F343 VanDerWaalsContact O-CD2 3.25Å; Y339-F343 WeakPolarHBondContact O-CD2 3.44Å; Y339-F343 WeakPolarHBondContact O-CG 3.45Å; Y339-F343 PolarHBondContact O-N 2.97Å; Y339-F343 VanDerWaalsContact O-N 3.16Å; Y339-L555 HydrophobicContact CD1-CD2 3.93Å; Y339-L555 HydrophobicContact CE1-CD2 4.21Å; Y339-L555 HydrophobicContact CG-CD2 4.34Å; Y339-L558 HydrophobicContact CD2-CD1 3.48Å; Y339-L558 VanDerWaalsContact CD2-CD1 3.48Å; Y339-L558 HydrophobicContact CE2-CD1 3.85Å; Y339-L558 HydrophobicContact CG-CD1 4.05Å; Y339-L606 HydrophobicContact CE2-CB 4.37Å; Y339-L606 HydrophobicContact CE2-CD2 4.09Å; Y339-L606 PolarHBondContact OH-O 3.36Å; Y339-F610 HydrophobicContact CD1-CE1 4.38Å; Y339-F610 HydrophobicContact CD2-CE1 4.35Å; Y339-F610 AromaticContact CD2-CZ 3.87Å; Y339-F610 HydrophobicContact CD2-CZ 3.87Å; Y339-F610 AromaticContact CE1-CE1 3.99Å; Y339-F610 HydrophobicContact CE1-CE1 3.99Å; Y339-F610 HydrophobicContact CE1-CZ 4.35Å; Y339-F610 AromaticContact CE2-CE1 3.97Å; Y339-F610 HydrophobicContact CE2-CE1 3.97Å; Y339-F610 HydrophobicContact CE2-CE2 4.22Å; Y339-F610 AromaticContact CE2-CZ 3.48Å; Y339-F610 HydrophobicContact CE2-CZ 3.48Å; Y339-F610 VanDerWaalsContact CE2-CZ 3.48Å; Y339-F610 HydrophobicContact CG-CZ 4.47Å; Y339-F610 AromaticContact CZ-CE1 3.78Å; Y339-F610 AromaticContact CZ-CZ 3.75Å
340A98.7Very high96.5Very high0 Ų024.3 Ų24.30%012%0.121CC..Hα-helixtrans-55.8-46175.800000110.8A336 T337 F343 V344 V535 F539 Y562A336-A340 WeakPolarHBondContact O-CB 3.34Å; A336-A340 PolarHBondContact O-N 3.41Å; T337-A340 WeakPolarHBondContact O-CB 3.4Å; T337-A340 PolarHBondContact O-N 3.38Å; A340-F343 PolarHBondContact O-N 3.21Å; A340-V344 VanDerWaalsContact O-CG2 3.24Å; A340-V344 WeakPolarHBondContact O-CG2 3.42Å; A340-V344 PolarHBondContact O-N 3.03Å; A340-V535 HydrophobicContact CB-CG1 3.7Å; A340-F539 HydrophobicContact CB-CD1 3.48Å; A340-F539 VanDerWaalsContact CB-CD1 3.48Å; A340-F539 HydrophobicContact CB-CE1 3.87Å; A340-F539 HydrophobicContact CB-CG 4.4Å; A340-Y562 HydrophobicContact CB-CD1 4.46Å; A340-Y562 HydrophobicContact CB-CD2 4.23Å; A340-Y562 HydrophobicContact CB-CE1 4.47Å; A340-Y562 HydrophobicContact CB-CE2 4.24Å; A340-Y562 HydrophobicContact CB-CG 4.35Å
341F98.5Very high96.1Very high0 Ų019.6 Ų19.60%010%0.101CC..Hα-helixtrans-71-30.4179.8-67.7-1.6000113.1A290 T337 A338 Y339 V344 G345 F380 T381 T384 V535A290-F341 VanDerWaalsContact CB-C 3.48Å; A290-F341 HydrophobicContact CB-CB 3.59Å; T337-F341 HydrophobicContact CG2-CD1 4.2Å; T337-F341 HydrophobicContact CG2-CD2 3.94Å; T337-F341 HydrophobicContact CG2-CE1 3.79Å; T337-F341 HydrophobicContact CG2-CE2 3.5Å; T337-F341 HydrophobicContact CG2-CG 4.28Å; T337-F341 HydrophobicContact CG2-CZ 3.42Å; T337-F341 VanDerWaalsContact CG2-CZ 3.42Å; T337-F341 WeakPolarHBondContact O-CG 3.44Å; T337-F341 PolarHBondContact O-N 2.92Å; A338-F341 PolarHBondContact O-N 3.29Å; Y339-F341 VanDerWaalsContact C-N 3.27Å; Y339-F341 PolarHBondContact O-N 3.23Å; F341-V344 PolarHBondContact O-N 2.86Å; F341-G345 PolarHBondContact O-N 3.1Å; F341-F380 HydrophobicContact CE1-CD1 4.18Å; F341-F380 AromaticContact CE1-CE1 3.95Å; F341-F380 HydrophobicContact CE1-CE1 3.95Å; F341-F380 HydrophobicContact CZ-CD1 4.23Å; F341-F380 HydrophobicContact CZ-CE1 4.11Å; F341-T381 HydrophobicContact CD1-CG2 3.65Å; F341-T381 HydrophobicContact CD2-CG2 3.89Å; F341-T381 HydrophobicContact CE1-CG2 3.65Å; F341-T381 VanDerWaalsContact CE2-CA 3.49Å; F341-T381 HydrophobicContact CE2-CG2 3.87Å; F341-T381 WeakPolarHBondContact CE2-O 3.37Å; F341-T381 HydrophobicContact CG-CG2 3.78Å; F341-T381 HydrophobicContact CZ-CG2 3.75Å; F341-T384 HydrophobicContact CE2-CG2 4.16Å; F341-T384 HydrophobicContact CZ-CG2 3.87Å; F341-V535 HydrophobicContact CD1-CG1 4.24Å; F341-V535 HydrophobicContact CE1-CG1 4.24Å; F341-V535 HydrophobicContact CE1-CG2 4.37Å
342Q96.9Very high95.5Very high45 Ų4519.9 Ų19.921%0.2110%0.102CC..Hα-helixtrans-59.6-48172.1-69.8-65.7-5.300110.5L23 A290 S294 A338 Y339 G345 A346L23-Q342 HydrophobicContact CD2-CB 4.14Å; L23-Q342 HydrophobicContact CD2-CG 4.19Å; A290-Q342 HydrophobicContact CB-CB 4.44Å; A290-Q342 HydrophobicContact CB-CG 3.92Å; S294-Q342 PolarHBondContact OG-NE2 3.47Å; A338-Q342 WeakPolarHBondContact O-CG 3.33Å; A338-Q342 PolarHBondContact O-N 3.27Å; Y339-Q342 WeakPolarHBondContact O-CB 3.17Å; Y339-Q342 PolarHBondContact O-N 3.47Å; Q342-G345 PolarHBondContact O-N 2.74Å; Q342-A346 PolarHBondContact O-N 3.46Å
343F96.7Very high94.9Very high16 Ų1623.8 Ų23.87%0.0712%0.12CC..Hα-helixtrans-68.2-37.6-179.4-57.7-38.1000112.8I22 L23 Y339 A340 A346 Y347 F539 K542 L555I22-F343 HydrophobicContact CG2-CE1 4.31Å; L23-F343 HydrophobicContact CD2-CE1 4.32Å; Y339-F343 HydrophobicContact CD1-CZ 4.28Å; Y339-F343 VanDerWaalsContact O-CD2 3.25Å; Y339-F343 WeakPolarHBondContact O-CD2 3.44Å; Y339-F343 WeakPolarHBondContact O-CG 3.45Å; Y339-F343 PolarHBondContact O-N 2.97Å; Y339-F343 VanDerWaalsContact O-N 3.16Å; A340-F343 PolarHBondContact O-N 3.21Å; F343-A346 PolarHBondContact O-N 3.33Å; F343-Y347 PolarHBondContact O-N 2.86Å; F343-F539 AromaticContact CD2-CD2 3.73Å; F343-F539 HydrophobicContact CD2-CD2 3.73Å; F343-F539 AromaticContact CD2-CE2 3.92Å; F343-F539 HydrophobicContact CD2-CE2 3.92Å; F343-F539 HydrophobicContact CD2-CG 4.27Å; F343-F539 AromaticContact CE2-CD2 3.82Å; F343-F539 HydrophobicContact CE2-CD2 3.82Å; F343-F539 AromaticContact CE2-CE2 3.53Å; F343-F539 HydrophobicContact CE2-CE2 3.53Å; F343-F539 HydrophobicContact CE2-CZ 4.17Å; F343-K542 HydrophobicContact CB-CG 4.48Å; F343-K542 HydrophobicContact CD1-CD 4.22Å; F343-K542 HydrophobicContact CD1-CG 3.81Å; F343-K542 HydrophobicContact CD2-CB 4.2Å; F343-K542 HydrophobicContact CD2-CG 3.93Å; F343-K542 HydrophobicContact CE1-CD 4.44Å; F343-K542 HydrophobicContact CE1-CG 3.95Å; F343-K542 HydrophobicContact CE2-CG 4.05Å; F343-K542 HydrophobicContact CG-CB 4.25Å; F343-K542 HydrophobicContact CG-CG 3.81Å; F343-K542 HydrophobicContact CZ-CG 4.06Å; F343-L555 HydrophobicContact CE2-CD2 4.42Å; F343-L555 HydrophobicContact CZ-CD1 4.1Å; F343-L555 HydrophobicContact CZ-CD2 4.25Å
344V96.3Very high94.4Very high0 Ų029.1 Ų29.10%014%0.14CC..Hα-helixtrans-66.7-40.71741780000111V286 A340 F341 A346 Y347 M348 L377 V535 L538V286-V344 HydrophobicContact CG1-CB 4.38Å; V286-V344 HydrophobicContact CG1-CG1 3.93Å; A340-V344 VanDerWaalsContact O-CG2 3.24Å; A340-V344 WeakPolarHBondContact O-CG2 3.42Å; A340-V344 PolarHBondContact O-N 3.03Å; F341-V344 PolarHBondContact O-N 2.86Å; V344-A346 PolarHBondContact O-N 3.26Å; V344-Y347 PolarHBondContact O-N 3.39Å; V344-M348 HydrophobicContact CG1-CG 4.41Å; V344-M348 VanDerWaalsContact O-CG 3.29Å; V344-M348 WeakPolarHBondContact O-CG 3.47Å; V344-M348 PolarHBondContact O-N 2.99Å; V344-L377 HydrophobicContact CG1-CD1 3.7Å; V344-L377 HydrophobicContact CG1-CD2 4.11Å; V344-L377 HydrophobicContact CG1-CG 4.43Å; V344-V535 HydrophobicContact CG2-CB 4.14Å; V344-V535 HydrophobicContact CG2-CG1 3.95Å; V344-V535 HydrophobicContact CG2-CG2 4.01Å; V344-L538 HydrophobicContact CB-CD1 4.47Å; V344-L538 HydrophobicContact CG1-CD1 4.3Å; V344-L538 HydrophobicContact CG2-CB 4.21Å; V344-L538 HydrophobicContact CG2-CD1 4.01Å
345G93.9Very high93.7Very high10 Ų1028.7 Ų28.710%0.10314%0.138CC..Hα-helixtrans-59.7-44.817500000112.5F341 Q342 M348 K349F341-G345 PolarHBondContact O-N 3.1Å; Q342-G345 PolarHBondContact O-N 2.74Å; G345-M348 PolarHBondContact O-N 3.31Å; G345-K349 PolarHBondContact O-N 2.9Å
346A92.8Very high92.8Very high48 Ų4831 Ų3140%0.39715%0.15SC..Hα-helixtrans-60.1-47.2174.600000111.9Q342 F343 V344 M348 K349 E350Q342-A346 PolarHBondContact O-N 3.46Å; F343-A346 PolarHBondContact O-N 3.33Å; V344-A346 PolarHBondContact O-N 3.26Å; A346-M348 VanDerWaalsContact C-N 3.31Å; A346-M348 PolarHBondContact O-N 3.3Å; A346-K349 PolarHBondContact O-N 3.38Å; A346-E350 WeakPolarHBondContact O-CG 3.3Å; A346-E350 PolarHBondContact O-N 3.24Å
347Y94.2Very high92Very high57 Ų5737.5 Ų37.522%0.22418%0.181CC..Hα-helixtrans-58-41.2175.2173.1-95.2000112.5F343 V344 E350 T351 L373 M451 L538F343-Y347 PolarHBondContact O-N 2.86Å; V344-Y347 PolarHBondContact O-N 3.39Å; Y347-E350 PolarHBondContact O-N 3.14Å; Y347-T351 WeakPolarHBondContact CE1-OG1 3.2Å; Y347-T351 VanDerWaalsContact O-CB 3.27Å; Y347-T351 WeakPolarHBondContact O-CB 3.38Å; Y347-T351 PolarHBondContact O-N 2.93Å; Y347-T351 PolarHBondContact O-OG1 3.35Å; Y347-L373 HydrophobicContact CE1-CD2 4.15Å; Y347-M451 HydrophobicContact CE1-CE 4.21Å; Y347-M451 HydrophobicContact CE2-CE 4.21Å; Y347-M451 VanDerWaalsContact OH-CE 3.26Å; Y347-M451 WeakPolarHBondContact OH-CE 3.43Å; Y347-L538 HydrophobicContact CD1-CD1 3.52Å; Y347-L538 HydrophobicContact CD1-CD2 4.18Å; Y347-L538 HydrophobicContact CD2-CD1 4.42Å; Y347-L538 HydrophobicContact CD2-CD2 3.63Å; Y347-L538 HydrophobicContact CE1-CD1 4.08Å; Y347-L538 HydrophobicContact CE1-CD2 4.43Å; Y347-L538 HydrophobicContact CE2-CD2 3.91Å; Y347-L538 HydrophobicContact CG-CD1 3.72Å; Y347-L538 HydrophobicContact CG-CD2 3.78Å; Y347-L538 HydrophobicContact CG-CG 4.42Å
348M92.9Very high91.2Very high0 Ų038 Ų380%019%0.187CC..Hα-helixtrans-68-35.8178.5-69.4-50.6-63.300112.6V344 G345 A346 Y352 L370 L373 T374 L377V344-M348 HydrophobicContact CG1-CG 4.41Å; V344-M348 VanDerWaalsContact O-CG 3.29Å; V344-M348 WeakPolarHBondContact O-CG 3.47Å; V344-M348 PolarHBondContact O-N 2.99Å; G345-M348 PolarHBondContact O-N 3.31Å; A346-M348 VanDerWaalsContact C-N 3.31Å; A346-M348 PolarHBondContact O-N 3.3Å; M348-Y352 VanDerWaalsContact O-CB 3.31Å; M348-Y352 WeakPolarHBondContact O-CB 3.47Å; M348-Y352 PolarHBondContact O-N 3.18Å; M348-L370 HydrophobicContact CE-CD1 4.17Å; M348-L373 HydrophobicContact CE-CG 4.44Å; M348-L373 HydrophobicContact SD-CD2 4.03Å; M348-L373 HydrophobicContact SD-CG 4.21Å; M348-T374 HydrophobicContact CE-CG2 3.17Å; M348-L377 HydrophobicContact CE-CD1 4.45Å; M348-L377 HydrophobicContact CG-CD1 3.91Å; M348-L377 HydrophobicContact SD-CD1 3.51Å; M348-L377 VanDerWaalsContact SD-CD1 3.51Å
349K88.3Confident90.3Very high69 Ų6939.6 Ų39.630%0.320%0.195SC..Hα-helixtrans-62.1-52.4172.6-175.9-179.1172.8-176.80110.3D83 G345 A346 T351 Y352 H353D83-K349 IonicContact OD1-NZ 2.91Å; D83-K349 PolarHBondContact OD1-NZ 2.78Å; D83-K349 IonicContact OD2-NZ 3.66Å; D83-K349 PolarHBondContact OD2-NZ 2.76Å; G345-K349 PolarHBondContact O-N 2.9Å; A346-K349 PolarHBondContact O-N 3.38Å; K349-T351 PolarHBondContact O-N 3.29Å; K349-Y352 PolarHBondContact O-N 2.96Å; K349-H353 PolarHBondContact O-CD2 3.37Å; K349-H353 PolarHBondContact O-N 3.37Å
350E89.4Confident89.1Confident127 Ų12743 Ų4359%0.59323%0.23SC*.Hα-helixtrans-58.8-47.1179.1-70.1173.5-169.900112A346 Y347 Y352 H353 R354A346-E350 WeakPolarHBondContact O-CG 3.3Å; A346-E350 PolarHBondContact O-N 3.24Å; Y347-E350 PolarHBondContact O-N 3.14Å; E350-Y352 VanDerWaalsContact C-N 3.35Å; E350-Y352 PolarHBondContact O-N 3.38Å; E350-H353 PolarHBondContact O-N 2.9Å; E350-R354 PolarHBondContact O-N 2.81Å; E350-R354 VanDerWaalsContact O-N 3.08Å
351T89.8Confident88.3Confident10 Ų1051.2 Ų51.26%0.06127%0.269CS..Hα-helixtrans-63.8-40-179.3-59.80000111.9Y347 K349 I355 L370Y347-T351 WeakPolarHBondContact CE1-OG1 3.2Å; Y347-T351 VanDerWaalsContact O-CB 3.27Å; Y347-T351 WeakPolarHBondContact O-CB 3.38Å; Y347-T351 PolarHBondContact O-N 2.93Å; Y347-T351 PolarHBondContact O-OG1 3.35Å; K349-T351 PolarHBondContact O-N 3.29Å; T351-I355 HydrophobicContact CG2-CD1 3.77Å; T351-I355 HydrophobicContact CG2-CG1 4.49Å; T351-I355 WeakPolarHBondContact O-CG1 3.04Å; T351-I355 PolarHBondContact O-N 3.06Å; T351-L370 HydrophobicContact CG2-CD1 4.08Å
352Y86.6Confident87.4Confident5 Ų554 Ų542%0.0230%0.298CS..Hα-helixtrans-61.3-48.7176.5175.8-90.2000111.8V279 F280 M348 K349 E350 I355 N356 L370V279-Y352 HydrophobicContact CG1-CD2 4.17Å; V279-Y352 HydrophobicContact CG1-CE2 4.3Å; F280-Y352 VanDerWaalsContact CA-CE2 3.42Å; F280-Y352 HydrophobicContact CB-CE1 4.32Å; F280-Y352 HydrophobicContact CB-CE2 3.72Å; F280-Y352 WeakPolarHBondContact CB-OH 3.22Å; F280-Y352 AromaticContact CD2-CD1 3.88Å; F280-Y352 HydrophobicContact CD2-CD1 3.88Å; F280-Y352 AromaticContact CD2-CE1 3.27Å; F280-Y352 HydrophobicContact CD2-CE1 3.27Å; F280-Y352 HydrophobicContact CD2-CE2 4.18Å; F280-Y352 AromaticContact CD2-CZ 3.42Å; F280-Y352 VanDerWaalsContact CD2-CZ 3.42Å; F280-Y352 HydrophobicContact CE2-CD1 4.48Å; F280-Y352 AromaticContact CE2-CE1 3.97Å; F280-Y352 HydrophobicContact CE2-CE1 3.97Å; F280-Y352 HydrophobicContact CG-CE1 4.23Å; F280-Y352 HydrophobicContact CG-CE2 4.47Å; F280-Y352 AromaticContact CG-CZ 3.93Å; M348-Y352 VanDerWaalsContact O-CB 3.31Å; M348-Y352 WeakPolarHBondContact O-CB 3.47Å; M348-Y352 PolarHBondContact O-N 3.18Å; K349-Y352 PolarHBondContact O-N 2.96Å; E350-Y352 VanDerWaalsContact C-N 3.35Å; E350-Y352 PolarHBondContact O-N 3.38Å; Y352-I355 PolarHBondContact O-N 3.38Å; Y352-N356 HydrophobicContact CE1-CB 4.45Å; Y352-N356 WeakPolarHBondContact CE1-ND2 3.4Å; Y352-N356 WeakPolarHBondContact O-CB 3.26Å; Y352-N356 PolarHBondContact O-N 3.25Å; Y352-N356 PolarHBondContact OH-ND2 2.94Å; Y352-L370 HydrophobicContact CD2-CD2 4.44Å
353H85.1Confident86.8Confident82 Ų8255.7 Ų55.738%0.3831%0.308SS..Hα-helixtrans-61.2-47.5-179.4-73.9-63.2000111.5K349 E350 I355 N356 E357K349-H353 PolarHBondContact O-CD2 3.37Å; K349-H353 PolarHBondContact O-N 3.37Å; E350-H353 PolarHBondContact O-N 2.9Å; H353-I355 PolarHBondContact O-N 3.39Å; H353-N356 PolarHBondContact O-N 2.86Å; H353-E357 WeakPolarHBondContact O-CG 3.49Å; H353-E357 PolarHBondContact O-N 2.88Å
354R88.3Confident86.2Confident114 Ų11458 Ų5843%0.4332%0.321SS..Hα-helixtrans-57-46.5177.7-176.1179.762.279.13112.6E350 E357 G358 E366E350-R354 PolarHBondContact O-N 2.81Å; E350-R354 VanDerWaalsContact O-N 3.08Å; R354-E357 PolarHBondContact O-N 3.49Å; R354-G358 PolarHBondContact O-N 2.86Å; R354-E366 IonicContact CZ-OE1 2.81Å; R354-E366 IonicContact CZ-OE2 3.63Å; R354-E366 VanDerWaalsContact CZ-OE2 3.23Å; R354-E366 IonicContact NH1-OE1 2.88Å; R354-E366 PolarHBondContact NH1-OE1 3.14Å; R354-E366 IonicContact NH1-OE2 3.86Å; R354-E366 PolarHBondContact NH1-OE2 3.06Å; R354-E366 IonicContact NH2-OE1 3.23Å; R354-E366 IonicContact NH2-OE2 3.58Å; R354-E366 PolarHBondContact NH2-OE2 3.46Å
355I84.7Confident85.7Confident13 Ų1361.8 Ų61.87%0.06735%0.348CS..Hα-helixtrans-71-36.4-178.7-68.4175.2000111.2T351 Y352 H353 E357 G358 I359 E366 L370T351-I355 HydrophobicContact CG2-CD1 3.77Å; T351-I355 HydrophobicContact CG2-CG1 4.49Å; T351-I355 WeakPolarHBondContact O-CG1 3.04Å; T351-I355 PolarHBondContact O-N 3.06Å; Y352-I355 PolarHBondContact O-N 3.38Å; H353-I355 PolarHBondContact O-N 3.39Å; I355-E357 VanDerWaalsContact C-N 3.33Å; I355-E357 PolarHBondContact O-N 3.23Å; I355-G358 PolarHBondContact O-N 3.49Å; I355-I359 HydrophobicContact CG2-CD1 4.26Å; I355-I359 HydrophobicContact CG2-CG1 4.49Å; I355-I359 WeakPolarHBondContact O-CG1 3.32Å; I355-I359 PolarHBondContact O-N 3.16Å; I355-E366 HydrophobicContact CD1-CB 3.77Å; I355-E366 HydrophobicContact CG1-CB 4.08Å; I355-L370 HydrophobicContact CB-CD2 3.97Å; I355-L370 HydrophobicContact CD1-CB 3.65Å; I355-L370 HydrophobicContact CD1-CD1 4.2Å; I355-L370 HydrophobicContact CD1-CD2 3.86Å; I355-L370 HydrophobicContact CD1-CG 4.09Å; I355-L370 HydrophobicContact CG2-CD2 3.75Å
356N80.4Confident85.3Confident48 Ų4864.5 Ų64.526%0.25736%0.358SS..Hα-helixtrans-62.8-38.7175.4-101.413000113.2Y352 H353 G358 I359 G360Y352-N356 HydrophobicContact CE1-CB 4.45Å; Y352-N356 WeakPolarHBondContact CE1-ND2 3.4Å; Y352-N356 WeakPolarHBondContact O-CB 3.26Å; Y352-N356 PolarHBondContact O-N 3.25Å; Y352-N356 PolarHBondContact OH-ND2 2.94Å; H353-N356 PolarHBondContact O-N 2.86Å; N356-G358 VanDerWaalsContact C-N 3.34Å; N356-I359 PolarHBondContact O-N 3.29Å; N356-G360 PolarHBondContact O-N 3.32Å
357E82.8Confident85Confident137 Ų13763 Ų6364%0.6434%0.343SS*.Hα-helixtrans-62.1-43.7173.3-71.8175.2179.700111H353 R354 I355 I359 G360 Q361H353-E357 WeakPolarHBondContact O-CG 3.49Å; H353-E357 PolarHBondContact O-N 2.88Å; R354-E357 PolarHBondContact O-N 3.49Å; I355-E357 VanDerWaalsContact C-N 3.33Å; I355-E357 PolarHBondContact O-N 3.23Å; E357-I359 PolarHBondContact O-N 3.36Å; E357-G360 PolarHBondContact O-N 2.98Å; E357-G360 VanDerWaalsContact O-N 3.12Å; E357-Q361 PolarHBondContact O-N 3.5Å
358G82.3Confident84.8Confident17 Ų1762 Ų6218%0.17534%0.344CS..Hα-helixtrans-59.9-40.3174.500000113.7R354 I355 N356 G360 Q361 G362 D363R354-G358 PolarHBondContact O-N 2.86Å; I355-G358 PolarHBondContact O-N 3.49Å; N356-G358 VanDerWaalsContact C-N 3.34Å; G358-G360 VanDerWaalsContact C-N 3.26Å; G358-G360 PolarHBondContact O-N 3.42Å; G358-Q361 CarbonylContact O-C 3.44Å; G358-Q361 WeakPolarHBondContact O-CA 3.42Å; G358-Q361 WeakPolarHBondContact O-CB 3.34Å; G358-Q361 PolarHBondContact O-N 3.02Å; G358-G362 PolarHBondContact O-N 3.37Å; G358-D363 CarbonylContact C-O 3.51Å; G358-D363 PolarHBondContact O-N 3.4Å
359I79.9Confident84.7Confident33 Ų3363.4 Ų63.417%0.16935%0.35CS..Hα-helixtrans-60-38.2174.8-67.5167.7000111L273 I355 N356 E357 Q361 G362 D363 L364 L367L273-I359 HydrophobicContact CD2-CG2 3.58Å; I355-I359 HydrophobicContact CG2-CD1 4.26Å; I355-I359 HydrophobicContact CG2-CG1 4.49Å; I355-I359 WeakPolarHBondContact O-CG1 3.32Å; I355-I359 PolarHBondContact O-N 3.16Å; N356-I359 PolarHBondContact O-N 3.29Å; E357-I359 PolarHBondContact O-N 3.36Å; I359-Q361 PolarHBondContact O-N 3.14Å; I359-G362 PolarHBondContact O-N 3.35Å; I359-D363 WeakPolarHBondContact CA-O 3.32Å; I359-D363 PolarHBondContact N-O 3.08Å; I359-L364 HydrophobicContact CB-CD2 4.46Å; I359-L364 HydrophobicContact CG1-CD2 4Å; I359-L364 HydrophobicContact CG2-CD2 4.19Å; I359-L367 HydrophobicContact CD1-CD1 4.18Å
360G73.1Confident84.7Confident72 Ų7260.4 Ų60.474%0.74234%0.337SS*.Hα-helixtrans-60.6-26.7175.200000113.4N356 E357 G358N356-G360 PolarHBondContact O-N 3.32Å; E357-G360 PolarHBondContact O-N 2.98Å; E357-G360 VanDerWaalsContact O-N 3.12Å; G358-G360 VanDerWaalsContact C-N 3.26Å; G358-G360 PolarHBondContact O-N 3.42Å
361Q81.2Confident84.8Confident172 Ų17256.4 Ų56.480%0.80432%0.319SS*.THydrogen-bonded Turntrans-94.60.7177.5-58.3175.712.100113E357 G358 I359E357-Q361 PolarHBondContact O-N 3.5Å; G358-Q361 CarbonylContact O-C 3.44Å; G358-Q361 WeakPolarHBondContact O-CA 3.42Å; G358-Q361 WeakPolarHBondContact O-CB 3.34Å; G358-Q361 PolarHBondContact O-N 3.02Å; I359-Q361 PolarHBondContact O-N 3.14Å
362G80.4Confident84.9Confident60 Ų6056.1 Ų56.162%0.61932%0.317SS*.THydrogen-bonded Turntrans89.74.3179.700000115.3G358 I359G358-G362 PolarHBondContact O-N 3.37Å; I359-G362 PolarHBondContact O-N 3.35Å
363D84.1Confident85.3Confident80 Ų8056.2 Ų56.243%0.42832%0.318SS..  trans-83.2121.4174.8-174.18.1000111.2G358 I359 S365G358-D363 CarbonylContact C-O 3.51Å; G358-D363 PolarHBondContact O-N 3.4Å; I359-D363 WeakPolarHBondContact CA-O 3.32Å; I359-D363 PolarHBondContact N-O 3.08Å; D363-S365 WeakPolarHBondContact OD1-CB 3.32Å; D363-S365 PolarHBondContact OD1-N 3.42Å; D363-S365 PolarHBondContact OD1-OG 2.89Å; D363-S365 PolarHBondContact OD2-OG 3.48Å
364L83.8Confident85.7Confident63 Ų6352.3 Ų52.333%0.3330%0.3SS..  trans-12011.1-179.7-55.5179.3000112.3L273 I359 L367L273-L364 HydrophobicContact CD2-CD2 4.13Å; I359-L364 HydrophobicContact CB-CD2 4.46Å; I359-L364 HydrophobicContact CG1-CD2 4Å; I359-L364 HydrophobicContact CG2-CD2 4.19Å; L364-L367 HydrophobicContact CD2-CD2 4.44Å
365S85.9Confident86Confident81 Ų8146.9 Ų46.957%0.56628%0.28SS*.SBendtrans-64.8-43.2-170.860.70000113.1D363 P368D363-S365 WeakPolarHBondContact OD1-CB 3.32Å; D363-S365 PolarHBondContact OD1-N 3.42Å; D363-S365 PolarHBondContact OD1-OG 2.89Å; D363-S365 PolarHBondContact OD2-OG 3.48Å; S365-P368 VanDerWaalsContact O-CD 3.27Å; S365-P368 WeakPolarHBondContact O-CD 3.28Å
366E85.9Confident86.7Confident66 Ų6646.3 Ų46.331%0.30828%0.276SS..SBendtrans-86.7-12.4-178-64.4-170.8-141.500114.2R354 I355 E369 L370R354-E366 IonicContact CZ-OE1 2.81Å; R354-E366 IonicContact CZ-OE2 3.63Å; R354-E366 VanDerWaalsContact CZ-OE2 3.23Å; R354-E366 IonicContact NH1-OE1 2.88Å; R354-E366 PolarHBondContact NH1-OE1 3.14Å; R354-E366 IonicContact NH1-OE2 3.86Å; R354-E366 PolarHBondContact NH1-OE2 3.06Å; R354-E366 IonicContact NH2-OE1 3.23Å; R354-E366 IonicContact NH2-OE2 3.58Å; R354-E366 PolarHBondContact NH2-OE2 3.46Å; I355-E366 HydrophobicContact CD1-CB 3.77Å; I355-E366 HydrophobicContact CG1-CB 4.08Å; E366-E369 PolarHBondContact O-N 3.39Å; E366-E369 VanDerWaalsContact O-N 3.09Å; E366-L370 PolarHBondContact O-N 3.41Å
367L85.8Confident87.5Confident16 Ų1644 Ų448%0.08426%0.264CS..Hα-helixtrans-55.7-39.5-177.6-174.962.1000114K272 I359 L364 H371K272-L367 HydrophobicContact CB-CD2 3.94Å; K272-L367 HydrophobicContact CD-CD2 4.42Å; I359-L367 HydrophobicContact CD1-CD1 4.18Å; L364-L367 HydrophobicContact CD2-CD2 4.44Å; L367-H371 WeakPolarHBondContact O-CB 3.25Å; L367-H371 PolarHBondContact O-N 2.92Å
368P89.4Confident88.2Confident38 Ų3837.5 Ų37.525%0.24723%0.234CC..Hα-helixtrans-61.9-40.2175.7-21.834.4000113.6S365 A372 F434S365-P368 VanDerWaalsContact O-CD 3.27Å; S365-P368 WeakPolarHBondContact O-CD 3.28Å; P368-A372 PolarHBondContact O-N 2.91Å; P368-A372 VanDerWaalsContact O-N 3.16Å; P368-F434 HydrophobicContact CB-CE2 4.44Å
369E90.6Very high88.9Confident29 Ų2936.7 Ų36.714%0.13623%0.226CC..Hα-helixtrans-71.1-46.4179.2-177.8172.7-167.200110.6E366 H371 A372 L373 F434 G450 M451E366-E369 PolarHBondContact O-N 3.39Å; E366-E369 VanDerWaalsContact O-N 3.09Å; E369-H371 VanDerWaalsContact C-N 3.27Å; E369-H371 PolarHBondContact O-N 3.31Å; E369-A372 PolarHBondContact O-N 3.36Å; E369-A372 VanDerWaalsContact O-N 3.1Å; E369-L373 VanDerWaalsContact O-CB 3.3Å; E369-L373 WeakPolarHBondContact O-CB 3.34Å; E369-L373 PolarHBondContact O-N 2.94Å; E369-F434 HydrophobicContact CB-CE2 4.1Å; E369-F434 HydrophobicContact CB-CZ 3.79Å; E369-F434 HydrophobicContact CG-CE1 4.35Å; E369-F434 HydrophobicContact CG-CZ 3.9Å; E369-G450 WeakPolarHBondContact OE1-CA 3.33Å; E369-M451 PolarHBondContact OE1-N 2.9Å
370L90.3Very high89.8Confident5 Ų535.6 Ų35.63%0.02622%0.219CC..Hα-helixtrans-54.6-45175.4177.164.5000111.8V279 M348 T351 Y352 I355 E366 A372 L373 T374V279-L370 HydrophobicContact CG1-CD1 4.38Å; V279-L370 HydrophobicContact CG1-CD2 3.66Å; V279-L370 HydrophobicContact CG1-CG 3.7Å; M348-L370 HydrophobicContact CE-CD1 4.17Å; T351-L370 HydrophobicContact CG2-CD1 4.08Å; Y352-L370 HydrophobicContact CD2-CD2 4.44Å; I355-L370 HydrophobicContact CB-CD2 3.97Å; I355-L370 HydrophobicContact CD1-CB 3.65Å; I355-L370 HydrophobicContact CD1-CD1 4.2Å; I355-L370 HydrophobicContact CD1-CD2 3.86Å; I355-L370 HydrophobicContact CD1-CG 4.09Å; I355-L370 HydrophobicContact CG2-CD2 3.75Å; E366-L370 PolarHBondContact O-N 3.41Å; L370-A372 PolarHBondContact O-N 3.11Å; L370-L373 PolarHBondContact O-N 3.01Å; L370-T374 HydrophobicContact CD1-CG2 3.76Å; L370-T374 HydrophobicContact CG-CG2 4.28Å; L370-T374 WeakPolarHBondContact O-CB 3.3Å; L370-T374 VanDerWaalsContact O-CG2 3.28Å; L370-T374 WeakPolarHBondContact O-CG2 3.39Å; L370-T374 PolarHBondContact O-N 3.22Å; L370-T374 PolarHBondContact O-OG1 3.39Å
371H90.4Very high91.1Very high44 Ų4432.1 Ų32.120%0.20418%0.184CC..Hα-helixtrans-64.6-39.7179.4-171.6104.1000112.3L367 E369 T374 A375 Q430L367-H371 WeakPolarHBondContact O-CB 3.25Å; L367-H371 PolarHBondContact O-N 2.92Å; E369-H371 VanDerWaalsContact C-N 3.27Å; E369-H371 PolarHBondContact O-N 3.31Å; H371-T374 PolarHBondContact O-OG1 3.08Å; H371-A375 WeakPolarHBondContact O-CB 3.45Å; H371-A375 PolarHBondContact O-N 2.91Å; H371-Q430 PolarHBondContact CD2-NE2 3.29Å; H371-Q430 PolarHBondContact NE2-NE2 3.27Å; H371-Q430 PolarHBondContact NE2-OE1 3.11Å; H371-Q430 VanDerWaalsContact NE2-OE1 3.11Å
372A93Very high91.9Very high4 Ų424.1 Ų24.13%0.03315%0.147CC..Hα-helixtrans-71-42.1177.800000112.1P368 E369 L370 G376 T431 F434P368-A372 PolarHBondContact O-N 2.91Å; P368-A372 VanDerWaalsContact O-N 3.16Å; E369-A372 PolarHBondContact O-N 3.36Å; E369-A372 VanDerWaalsContact O-N 3.1Å; L370-A372 PolarHBondContact O-N 3.11Å; A372-G376 PolarHBondContact O-N 2.78Å; A372-T431 PolarHBondContact O-OG1 3.32Å; A372-F434 HydrophobicContact CB-CB 3.42Å; A372-F434 VanDerWaalsContact CB-CB 3.42Å; A372-F434 HydrophobicContact CB-CD1 3.58Å; A372-F434 HydrophobicContact CB-CD2 4.08Å; A372-F434 HydrophobicContact CB-CE1 4.34Å; A372-F434 HydrophobicContact CB-CG 3.42Å; A372-F434 VanDerWaalsContact CB-CG 3.42Å
373L93.6Very high92.7Very high7 Ų725 Ų254%0.03713%0.132CC..Hα-helixtrans-72.1-44.9-177.2-172.662.2000111.7Y347 M348 E369 L370 A375 G376 L377 M451 V534Y347-L373 HydrophobicContact CE1-CD2 4.15Å; M348-L373 HydrophobicContact CE-CG 4.44Å; M348-L373 HydrophobicContact SD-CD2 4.03Å; M348-L373 HydrophobicContact SD-CG 4.21Å; E369-L373 VanDerWaalsContact O-CB 3.3Å; E369-L373 WeakPolarHBondContact O-CB 3.34Å; E369-L373 PolarHBondContact O-N 2.94Å; L370-L373 PolarHBondContact O-N 3.01Å; L373-A375 VanDerWaalsContact C-N 3.31Å; L373-A375 PolarHBondContact O-N 3.3Å; L373-G376 PolarHBondContact O-N 2.82Å; L373-L377 HydrophobicContact CD1-CD1 3.74Å; L373-L377 HydrophobicContact CD1-CG 3.89Å; L373-L377 HydrophobicContact CD2-CD1 4.33Å; L373-L377 HydrophobicContact CG-CD1 3.7Å; L373-L377 HydrophobicContact CG-CG 4.23Å; L373-L377 VanDerWaalsContact O-CB 3.32Å; L373-L377 WeakPolarHBondContact O-CB 3.49Å; L373-L377 WeakPolarHBondContact O-CG 3.38Å; L373-L377 PolarHBondContact O-N 2.87Å; L373-M451 HydrophobicContact CD2-CG 4.39Å; L373-V534 HydrophobicContact CD1-CB 4.47Å; L373-V534 HydrophobicContact CD1-CG1 4.14Å; L373-V534 HydrophobicContact CD1-CG2 4.07Å
374T94.4Very high93.4Very high0 Ų023.3 Ų23.30%012%0.124CC..Hα-helixtrans-58.8-41.4173.7490000112V279 M348 L370 H371 K378V279-T374 HydrophobicContact CG1-CG2 3.98Å; M348-T374 HydrophobicContact CE-CG2 3.17Å; L370-T374 HydrophobicContact CD1-CG2 3.76Å; L370-T374 HydrophobicContact CG-CG2 4.28Å; L370-T374 WeakPolarHBondContact O-CB 3.3Å; L370-T374 VanDerWaalsContact O-CG2 3.28Å; L370-T374 WeakPolarHBondContact O-CG2 3.39Å; L370-T374 PolarHBondContact O-N 3.22Å; L370-T374 PolarHBondContact O-OG1 3.39Å; H371-T374 PolarHBondContact O-OG1 3.08Å; T374-K378 WeakPolarHBondContact O-CB 3.36Å; T374-K378 PolarHBondContact O-N 2.78Å
375A94.9Very high94.2Very high0 Ų020.3 Ų20.30%011%0.108CC..Hα-helixtrans-65.3-49.2177.400000112H371 L373 A379 M427H371-A375 WeakPolarHBondContact O-CB 3.45Å; H371-A375 PolarHBondContact O-N 2.91Å; L373-A375 VanDerWaalsContact C-N 3.31Å; L373-A375 PolarHBondContact O-N 3.3Å; A375-A379 PolarHBondContact O-N 2.66Å; A375-A379 VanDerWaalsContact O-N 3.09Å; A375-M427 HydrophobicContact CB-CB 4.15Å; A375-M427 HydrophobicContact CB-SD 3.9Å
376G97.6Very high94.8Very high0 Ų017.5 Ų17.50%09%0.087CC..Hα-helixtrans-64.6-48.1-178.800000112.3A372 L373 A379 F380 T431 C531A372-G376 PolarHBondContact O-N 2.78Å; L373-G376 PolarHBondContact O-N 2.82Å; G376-A379 PolarHBondContact O-N 3Å; G376-F380 WeakPolarHBondContact O-CB 3.27Å; G376-F380 PolarHBondContact O-N 2.69Å; G376-T431 VanDerWaalsContact CA-OG1 3.25Å; G376-T431 WeakPolarHBondContact CA-OG1 3.45Å; G376-T431 PolarHBondContact N-OG1 2.92Å; G376-T431 VanDerWaalsContact N-OG1 3.13Å; G376-C531 VanDerWaalsContact CA-SG 3.5Å
377L97.9Very high95.4Very high0 Ų019 Ų190%010%0.1CC..Hα-helixtrans-67.1-38.1179-69.4176.1000112.3V286 V344 M348 L373 A379 F380 T381 C531 V534 V535V286-L377 HydrophobicContact CG2-CB 4.05Å; V344-L377 HydrophobicContact CG1-CD1 3.7Å; V344-L377 HydrophobicContact CG1-CD2 4.11Å; V344-L377 HydrophobicContact CG1-CG 4.43Å; M348-L377 HydrophobicContact CE-CD1 4.45Å; M348-L377 HydrophobicContact CG-CD1 3.91Å; M348-L377 HydrophobicContact SD-CD1 3.51Å; M348-L377 VanDerWaalsContact SD-CD1 3.51Å; L373-L377 HydrophobicContact CD1-CD1 3.74Å; L373-L377 HydrophobicContact CD1-CG 3.89Å; L373-L377 HydrophobicContact CD2-CD1 4.33Å; L373-L377 HydrophobicContact CG-CD1 3.7Å; L373-L377 HydrophobicContact CG-CG 4.23Å; L373-L377 VanDerWaalsContact O-CB 3.32Å; L373-L377 WeakPolarHBondContact O-CB 3.49Å; L373-L377 WeakPolarHBondContact O-CG 3.38Å; L373-L377 PolarHBondContact O-N 2.87Å; L377-A379 VanDerWaalsContact C-N 3.29Å; L377-A379 PolarHBondContact O-N 3.48Å; L377-F380 PolarHBondContact O-N 2.91Å; L377-T381 WeakPolarHBondContact O-CB 3.41Å; L377-T381 WeakPolarHBondContact O-CG2 3.36Å; L377-T381 PolarHBondContact O-N 3.05Å; L377-T381 PolarHBondContact O-OG1 3.26Å; L377-C531 HydrophobicContact CD2-CB 4.2Å; L377-V534 HydrophobicContact CD1-CG1 4.44Å; L377-V534 HydrophobicContact CD2-CG1 4.43Å; L377-V535 HydrophobicContact CD2-CG2 4.03Å
378K97.3Very high96Very high1 Ų118.2 Ų18.20%0.00410%0.097CC..Hα-helixtrans-56.6-46.9171.9177.5-88.2-179.1-171.40110.5R282 L285 T374 S382 S417 F420 G422 N424R282-K378 HydrophobicContact CG-CG 4.48Å; L285-K378 HydrophobicContact CB-CG 4.11Å; L285-K378 HydrophobicContact CD1-CG 3.89Å; T374-K378 WeakPolarHBondContact O-CB 3.36Å; T374-K378 PolarHBondContact O-N 2.78Å; K378-S382 VanDerWaalsContact O-CB 3.26Å; K378-S382 WeakPolarHBondContact O-CB 3.49Å; K378-S382 PolarHBondContact O-N 3.16Å; K378-S382 VanDerWaalsContact O-N 3.13Å; K378-S382 PolarHBondContact O-OG 2.83Å; K378-S417 WeakPolarHBondContact CE-O 3.33Å; K378-S417 PolarHBondContact NZ-O 2.88Å; K378-F420 WeakPolarHBondContact CE-O 3.46Å; K378-F420 PolarHBondContact NZ-O 2.85Å; K378-G422 PolarHBondContact NZ-O 3.09Å; K378-N424 PolarHBondContact NZ-OD1 2.68Å
379A98.4Very high96.4Very high0 Ų016.4 Ų16.40%09%0.085CC..Hα-helixtrans-68.1-48.3-179.300000112.3A375 G376 L377 S382 W383 N424 M427 M428A375-A379 PolarHBondContact O-N 2.66Å; A375-A379 VanDerWaalsContact O-N 3.09Å; G376-A379 PolarHBondContact O-N 3Å; L377-A379 VanDerWaalsContact C-N 3.29Å; L377-A379 PolarHBondContact O-N 3.48Å; A379-S382 PolarHBondContact O-OG 2.85Å; A379-W383 WeakPolarHBondContact O-CB 3.34Å; A379-W383 PolarHBondContact O-N 3.35Å; A379-N424 WeakPolarHBondContact CA-OD1 3.37Å; A379-N424 HydrophobicContact CB-CB 3.8Å; A379-N424 PolarHBondContact O-ND2 3.49Å; A379-M427 HydrophobicContact CB-CB 4.02Å; A379-M428 HydrophobicContact CB-CE 3.74Å; A379-M428 HydrophobicContact CB-CG 4.02Å; A379-M428 HydrophobicContact CB-SD 4.06Å
380F98.8Very high96.8Very high9 Ų917.7 Ų17.74%0.0399%0.091CC..Hα-helixtrans-58.7-53-179.6-175.5-100.4000111.7F341 G376 L377 T384 M428 E528 C531 H532 V535F341-F380 HydrophobicContact CE1-CD1 4.18Å; F341-F380 AromaticContact CE1-CE1 3.95Å; F341-F380 HydrophobicContact CE1-CE1 3.95Å; F341-F380 HydrophobicContact CZ-CD1 4.23Å; F341-F380 HydrophobicContact CZ-CE1 4.11Å; G376-F380 WeakPolarHBondContact O-CB 3.27Å; G376-F380 PolarHBondContact O-N 2.69Å; L377-F380 PolarHBondContact O-N 2.91Å; F380-T384 WeakPolarHBondContact O-CB 3.44Å; F380-T384 PolarHBondContact O-N 3.01Å; F380-T384 VanDerWaalsContact O-N 3.1Å; F380-T384 PolarHBondContact O-OG1 3.2Å; F380-M428 HydrophobicContact CB-CE 3.91Å; F380-M428 HydrophobicContact CD2-CE 4.49Å; F380-E528 HydrophobicContact CD2-CG 3.97Å; F380-E528 HydrophobicContact CE2-CG 3.98Å; F380-C531 HydrophobicContact CB-CB 3.87Å; F380-C531 HydrophobicContact CD2-CB 4.11Å; F380-C531 HydrophobicContact CG-CB 3.91Å; F380-H532 HydrophobicContact CE2-CB 3.93Å; F380-H532 HydrophobicContact CZ-CB 3.83Å; F380-H532 AromaticContact CZ-CG 3.76Å; F380-V535 HydrophobicContact CD1-CG2 4.04Å; F380-V535 HydrophobicContact CE1-CG2 3.91Å
381T98.6Very high97.2Very high0 Ų018.8 Ų18.80%010%0.101CC..Hα-helixtrans-69.3-40.5-175.958.80000112.4V286 F341 L377 T384 A385V286-T381 HydrophobicContact CG1-CG2 4.01Å; F341-T381 HydrophobicContact CD1-CG2 3.65Å; F341-T381 HydrophobicContact CD2-CG2 3.89Å; F341-T381 HydrophobicContact CE1-CG2 3.65Å; F341-T381 VanDerWaalsContact CE2-CA 3.49Å; F341-T381 HydrophobicContact CE2-CG2 3.87Å; F341-T381 WeakPolarHBondContact CE2-O 3.37Å; F341-T381 HydrophobicContact CG-CG2 3.78Å; F341-T381 HydrophobicContact CZ-CG2 3.75Å; L377-T381 WeakPolarHBondContact O-CB 3.41Å; L377-T381 WeakPolarHBondContact O-CG2 3.36Å; L377-T381 PolarHBondContact O-N 3.05Å; L377-T381 PolarHBondContact O-OG1 3.26Å; T381-T384 PolarHBondContact O-N 3.13Å; T381-A385 WeakPolarHBondContact O-CB 3.36Å; T381-A385 PolarHBondContact O-N 2.89Å
382S98.5Very high97.6Very high3 Ų316.7 Ų16.72%0.0219%0.091CC..Hα-helixtrans-66.8-43.1177.8590000113K378 A379 T384 N386 N424K378-S382 VanDerWaalsContact O-CB 3.26Å; K378-S382 WeakPolarHBondContact O-CB 3.49Å; K378-S382 PolarHBondContact O-N 3.16Å; K378-S382 VanDerWaalsContact O-N 3.13Å; K378-S382 PolarHBondContact O-OG 2.83Å; A379-S382 PolarHBondContact O-OG 2.85Å; S382-T384 PolarHBondContact O-N 3.39Å; S382-N386 WeakPolarHBondContact O-CB 3.39Å; S382-N386 PolarHBondContact O-N 3.5Å; S382-N424 PolarHBondContact OG-ND2 3.45Å; S382-N424 PolarHBondContact OG-OD1 2.68Å
383W98.6Very high97.9Very high80 Ų8018.8 Ų18.830%0.30310%0.098SC..Hα-helixtrans-60.7-45.7174.4-84.1-27.3000112.1A379 N386 T387 N424 M428A379-W383 WeakPolarHBondContact O-CB 3.34Å; A379-W383 PolarHBondContact O-N 3.35Å; W383-N386 PolarHBondContact O-N 3.1Å; W383-T387 PolarHBondContact O-N 3.28Å; W383-T387 VanDerWaalsContact O-N 3.16Å; W383-T387 PolarHBondContact O-OG1 2.99Å; W383-N424 HydrophobicContact CD2-CB 3.79Å; W383-N424 HydrophobicContact CE3-CB 4.34Å; W383-N424 HydrophobicContact CG-CB 4.38Å; W383-N424 VanDerWaalsContact CG-ND2 3.31Å; W383-N424 HydrophobicContact CH2-CB 3.89Å; W383-N424 HydrophobicContact CZ2-CB 3.24Å; W383-N424 HydrophobicContact CZ3-CB 4.39Å; W383-N424 PolarHBondContact NE1-ND2 3.38Å; W383-N424 VanDerWaalsContact NE1-ND2 3.2Å; W383-M428 HydrophobicContact CE3-CE 4.04Å; W383-M428 HydrophobicContact CH2-CG 4.21Å; W383-M428 HydrophobicContact CZ3-CE 3.88Å; W383-M428 HydrophobicContact CZ3-CG 3.83Å
384T98.8Very high98.2Very high43 Ų4323.4 Ų23.426%0.26412%0.121SC..Hα-helixtrans-66.1-47.2-177.7-53.50000111.2T337 F341 F380 T381 S382 N386 T387 G388T337-T384 HydrophobicContact CG2-CG2 3.79Å; F341-T384 HydrophobicContact CE2-CG2 4.16Å; F341-T384 HydrophobicContact CZ-CG2 3.87Å; F380-T384 WeakPolarHBondContact O-CB 3.44Å; F380-T384 PolarHBondContact O-N 3.01Å; F380-T384 VanDerWaalsContact O-N 3.1Å; F380-T384 PolarHBondContact O-OG1 3.2Å; T381-T384 PolarHBondContact O-N 3.13Å; S382-T384 PolarHBondContact O-N 3.39Å; T384-N386 PolarHBondContact O-N 3.16Å; T384-T387 PolarHBondContact O-N 3.06Å; T384-G388 PolarHBondContact O-N 3.38Å
385A98.8Very high98.4Very high0 Ų023.7 Ų23.70%012%0.123CC..Hα-helixtrans-64.3-39177.800000111.8A289 L293 T381 T387 G388 I389 F414A289-A385 HydrophobicContact CB-CB 4.01Å; L293-A385 HydrophobicContact CB-CB 4.12Å; T381-A385 WeakPolarHBondContact O-CB 3.36Å; T381-A385 PolarHBondContact O-N 2.89Å; A385-T387 PolarHBondContact O-N 3.47Å; A385-G388 PolarHBondContact O-N 2.8Å; A385-I389 WeakPolarHBondContact O-CD1 3.44Å; A385-I389 WeakPolarHBondContact O-CG1 3.33Å; A385-I389 PolarHBondContact O-N 2.77Å; A385-F414 HydrophobicContact CB-CE1 3.58Å; A385-F414 HydrophobicContact CB-CZ 3.71Å
386N98.6Very high98.6Very high22 Ų2223.9 Ų23.912%0.11812%0.124CC..Hα-helixtrans-59.5-48.5177.9179.682.3000111.6S382 W383 T384 E390 Y411 F414 T415S382-N386 WeakPolarHBondContact O-CB 3.39Å; S382-N386 PolarHBondContact O-N 3.5Å; W383-N386 PolarHBondContact O-N 3.1Å; T384-N386 PolarHBondContact O-N 3.16Å; N386-E390 PolarHBondContact O-N 3.5Å; N386-Y411 WeakPolarHBondContact O-CE2 3.26Å; N386-Y411 WeakPolarHBondContact OD1-CE2 3.32Å; N386-F414 HydrophobicContact CB-CD1 4.34Å; N386-F414 HydrophobicContact CB-CE1 4.17Å; N386-T415 WeakPolarHBondContact OD1-CA 3.45Å; N386-T415 WeakPolarHBondContact OD1-CB 3.39Å; N386-T415 PolarHBondContact OD1-OG1 3.15Å
387T98.6Very high98.6Very high97 Ų9725.9 Ų25.960%0.59515%0.145SC*.Hα-helixtrans-65.7-39.8175.6-570000111.6W383 T384 A385 E390 A391W383-T387 PolarHBondContact O-N 3.28Å; W383-T387 VanDerWaalsContact O-N 3.16Å; W383-T387 PolarHBondContact O-OG1 2.99Å; T384-T387 PolarHBondContact O-N 3.06Å; A385-T387 PolarHBondContact O-N 3.47Å; T387-E390 PolarHBondContact O-N 2.85Å; T387-A391 PolarHBondContact O-N 3.45Å
388G98.8Very high98.6Very high1 Ų129.1 Ų29.11%0.0118%0.178CC..Hα-helixtrans-62.4-43.6178.600000113.7L334 T384 A385 E390 A391 C392L334-G388 WeakPolarHBondContact CD1-O 3.4Å; T384-G388 PolarHBondContact O-N 3.38Å; A385-G388 PolarHBondContact O-N 2.8Å; G388-E390 VanDerWaalsContact C-N 3.31Å; G388-E390 PolarHBondContact O-N 3.24Å; G388-A391 WeakPolarHBondContact O-CB 3.35Å; G388-A391 PolarHBondContact O-N 3.44Å; G388-C392 PolarHBondContact O-N 2.88Å; G388-C392 PolarHBondContact O-SG 3.39Å; G388-C392 VanDerWaalsContact O-SG 3.36Å
389I98.9Very high98.7Very high0 Ų032 Ų320%019%0.192CC..Hα-helixtrans-60-43.8178.4-67.9157.8000110.6A292 L293 A296 A385 C392 R393 I410 Y411 F414A292-I389 HydrophobicContact CB-CD1 3.88Å; L293-I389 HydrophobicContact CD1-CG1 4.48Å; A296-I389 HydrophobicContact CB-CB 4.19Å; A296-I389 HydrophobicContact CB-CG1 3.88Å; A296-I389 HydrophobicContact CB-CG2 4.12Å; A385-I389 WeakPolarHBondContact O-CD1 3.44Å; A385-I389 WeakPolarHBondContact O-CG1 3.33Å; A385-I389 PolarHBondContact O-N 2.77Å; I389-C392 WeakPolarHBondContact O-CB 3.17Å; I389-C392 PolarHBondContact O-N 2.96Å; I389-R393 PolarHBondContact O-N 2.95Å; I389-I410 HydrophobicContact CD1-CG2 4.14Å; I389-I410 HydrophobicContact CG1-CG2 4.3Å; I389-I410 HydrophobicContact CG2-CB 4.46Å; I389-I410 HydrophobicContact CG2-CG2 3.95Å; I389-Y411 HydrophobicContact CB-CD2 4.36Å; I389-Y411 HydrophobicContact CG2-CD2 4.1Å; I389-Y411 HydrophobicContact CG2-CG 4.45Å; I389-F414 HydrophobicContact CD1-CB 3.88Å; I389-F414 HydrophobicContact CD1-CD1 3.42Å; I389-F414 VanDerWaalsContact CD1-CD1 3.42Å; I389-F414 HydrophobicContact CD1-CE1 4.15Å; I389-F414 HydrophobicContact CD1-CG 3.71Å
390E98.8Very high98.7Very high56 Ų5632 Ų3226%0.26219%0.192SC..Hα-helixtrans-69.8-34.1178.6-179.466158.700112.3N386 T387 G388 R393 M394 Y411N386-E390 PolarHBondContact O-N 3.5Å; T387-E390 PolarHBondContact O-N 2.85Å; G388-E390 VanDerWaalsContact C-N 3.31Å; G388-E390 PolarHBondContact O-N 3.24Å; E390-R393 WeakPolarHBondContact O-CB 3.47Å; E390-R393 PolarHBondContact O-N 3.26Å; E390-R393 IonicContact OE1-CZ 3.81Å; E390-R393 IonicContact OE1-NE 3.34Å; E390-R393 IonicContact OE1-NH2 2.78Å; E390-R393 PolarHBondContact OE1-NH2 3.47Å; E390-R393 IonicContact OE2-CZ 3.35Å; E390-R393 IonicContact OE2-NE 3.65Å; E390-R393 PolarHBondContact OE2-NE 3.48Å; E390-R393 IonicContact OE2-NH2 2.76Å; E390-R393 PolarHBondContact OE2-NH2 2.85Å; E390-M394 HydrophobicContact CG-CE 4.33Å; E390-M394 WeakPolarHBondContact O-CG 3.34Å; E390-M394 PolarHBondContact O-N 3.47Å; E390-Y411 HydrophobicContact CB-CD2 4.12Å; E390-Y411 HydrophobicContact CB-CE2 3.94Å
391A98.8Very high98.7Very high27 Ų2740.6 Ų40.622%0.22323%0.225CC..Hα-helixtrans-63.5-40.617100000112.1L334 T387 G388 R393 M394 A395L334-A391 HydrophobicContact CD1-CB 3.91Å; T387-A391 PolarHBondContact O-N 3.45Å; G388-A391 WeakPolarHBondContact O-CB 3.35Å; G388-A391 PolarHBondContact O-N 3.44Å; A391-R393 VanDerWaalsContact C-N 3.33Å; A391-R393 PolarHBondContact O-N 3.03Å; A391-M394 PolarHBondContact O-N 3.28Å; A391-A395 WeakPolarHBondContact O-CB 3.49Å; A391-A395 PolarHBondContact O-N 2.89Å
392C98.9Very high98.7Very high0 Ų042.4 Ų42.40%024%0.238CC..Hα-helixtrans-60.3-42.2171.7-69.20000111.6A296 A300 G388 I389 A395 C396 L407A296-C392 HydrophobicContact CB-CB 3.93Å; A300-C392 HydrophobicContact CB-CB 3.8Å; G388-C392 PolarHBondContact O-N 2.88Å; G388-C392 PolarHBondContact O-SG 3.39Å; G388-C392 VanDerWaalsContact O-SG 3.36Å; I389-C392 WeakPolarHBondContact O-CB 3.17Å; I389-C392 PolarHBondContact O-N 2.96Å; C392-A395 WeakPolarHBondContact O-CB 3.46Å; C392-A395 PolarHBondContact O-N 2.95Å; C392-C396 PolarHBondContact O-N 3.23Å; C392-C396 PolarHBondContact O-SG 2.92Å; C392-L407 HydrophobicContact CB-CD2 4.2Å
393R98.9Very high98.7Very high49 Ų4946.4 Ų46.419%0.18526%0.256CS..Hα-helixtrans-59.3-48175.3-168.8-78.7-56154.2-3.6111.8I389 E390 A391 A395 C396 G400 L407I389-R393 PolarHBondContact O-N 2.95Å; E390-R393 WeakPolarHBondContact O-CB 3.47Å; E390-R393 PolarHBondContact O-N 3.26Å; E390-R393 IonicContact OE1-CZ 3.81Å; E390-R393 IonicContact OE1-NE 3.34Å; E390-R393 IonicContact OE1-NH2 2.78Å; E390-R393 PolarHBondContact OE1-NH2 3.47Å; E390-R393 IonicContact OE2-CZ 3.35Å; E390-R393 IonicContact OE2-NE 3.65Å; E390-R393 PolarHBondContact OE2-NE 3.48Å; E390-R393 IonicContact OE2-NH2 2.76Å; E390-R393 PolarHBondContact OE2-NH2 2.85Å; A391-R393 VanDerWaalsContact C-N 3.33Å; A391-R393 PolarHBondContact O-N 3.03Å; R393-A395 VanDerWaalsContact C-N 3.32Å; R393-A395 PolarHBondContact O-N 2.68Å; R393-C396 PolarHBondContact O-N 3Å; R393-G400 WeakPolarHBondContact CD-O 3.47Å; R393-G400 WeakPolarHBondContact CG-O 3.45Å; R393-L407 HydrophobicContact CB-CB 4Å; R393-L407 HydrophobicContact CB-CD1 4.34Å; R393-L407 HydrophobicContact CG-CB 3.94Å
394M98.8Very high98.6Very high104 Ų10442.7 Ų42.751%0.51224%0.243SC..Hα-helixtrans-64.3-34.8175.4-72-173.1-68.500113.2E390 A391 C396 G397E390-M394 HydrophobicContact CG-CE 4.33Å; E390-M394 WeakPolarHBondContact O-CG 3.34Å; E390-M394 PolarHBondContact O-N 3.47Å; A391-M394 PolarHBondContact O-N 3.28Å; M394-C396 PolarHBondContact O-N 2.75Å; M394-G397 PolarHBondContact O-N 3.41Å; M394-G397 VanDerWaalsContact O-N 3.09Å
395A98.8Very high98.6Very high6 Ų640.7 Ų40.75%0.0523%0.23CC..Hα-helixtrans-66.8-19.9179.500000113.2Q327 L331 A391 C392 R393 G397Q327-A395 PolarHBondContact NE2-O 3.09Å; L331-A395 HydrophobicContact CD2-CB 3.77Å; L331-A395 HydrophobicContact CG-CB 4.3Å; A391-A395 WeakPolarHBondContact O-CB 3.49Å; A391-A395 PolarHBondContact O-N 2.89Å; C392-A395 WeakPolarHBondContact O-CB 3.46Å; C392-A395 PolarHBondContact O-N 2.95Å; R393-A395 VanDerWaalsContact C-N 3.32Å; R393-A395 PolarHBondContact O-N 2.68Å; A395-G397 VanDerWaalsContact C-N 3.3Å
396C98.8Very high98.5Very high4 Ų440.7 Ų40.73%0.02723%0.23CC..THydrogen-bonded Turntrans-84.93.5173.3-65.90000114Y303 C392 R393 M394 G400 L407 L621Y303-C396 HydrophobicContact CD1-CB 3.82Å; Y303-C396 HydrophobicContact CE1-CB 4.05Å; Y303-C396 WeakPolarHBondContact CE1-O 3.47Å; C392-C396 PolarHBondContact O-N 3.23Å; C392-C396 PolarHBondContact O-SG 2.92Å; R393-C396 PolarHBondContact O-N 3Å; M394-C396 PolarHBondContact O-N 2.75Å; C396-G400 PolarHBondContact O-N 3.46Å; C396-L407 HydrophobicContact CB-CD1 4.35Å; C396-L621 HydrophobicContact CB-CD1 4.21Å
397G98.6Very high98.5Very high42 Ų4239.7 Ų39.743%0.43323%0.225SC..G310 helixtrans60.1-145.9179.900000113M394 A395 H399 G400M394-G397 PolarHBondContact O-N 3.41Å; M394-G397 VanDerWaalsContact O-N 3.09Å; A395-G397 VanDerWaalsContact C-N 3.3Å; G397-H399 VanDerWaalsContact C-N 3.35Å; G397-H399 PolarHBondContact O-N 3Å; G397-G400 PolarHBondContact O-N 3.41Å; G397-G400 VanDerWaalsContact O-N 3.16Å
398G98.6Very high98.5Very high68 Ų6836.1 Ų36.170%0.70120%0.203SC*.G310 helixtrans-59.7-39.3-177.300000113.9G400 Y401G398-G400 PolarHBondContact O-N 3.38Å; G398-Y401 WeakPolarHBondContact O-CB 3.47Å; G398-Y401 PolarHBondContact O-N 3.37Å; G398-Y401 VanDerWaalsContact O-N 3.09Å
399H98.8Very high98.4Very high62 Ų6237 Ų3729%0.28721%0.208SC..G310 helixtrans-65.8-27.8179-64.1159.1000112.8Y303 G397 Y401 S402 L621Y303-H399 AromaticContact CZ-ND1 3.86Å; Y303-H399 PolarHBondContact OH-ND1 3.42Å; G397-H399 VanDerWaalsContact C-N 3.35Å; G397-H399 PolarHBondContact O-N 3Å; H399-Y401 PolarHBondContact O-N 3.48Å; H399-S402 PolarHBondContact O-N 2.92Å; H399-L621 HydrophobicContact CB-CD1 3.82Å; H399-L621 HydrophobicContact CB-CD2 4.13Å
400G98.6Very high98.3Very high0 Ų037.2 Ų37.20%021%0.209CC..G310 helixtrans-64.2-19.8173.900000114.1R393 C396 G397 G398 S405R393-G400 WeakPolarHBondContact CD-O 3.47Å; R393-G400 WeakPolarHBondContact CG-O 3.45Å; C396-G400 PolarHBondContact O-N 3.46Å; G397-G400 PolarHBondContact O-N 3.41Å; G397-G400 VanDerWaalsContact O-N 3.16Å; G398-G400 PolarHBondContact O-N 3.38Å; G400-S405 PolarHBondContact O-OG 3.01Å; G400-S405 VanDerWaalsContact O-OG 3.11Å
401Y98.7Very high98.2Very high188 Ų18836.7 Ų36.774%0.73721%0.205SC*.G310 helixtrans-75.8-26.5176.9-170.7-109.7000112.9G398 H399G398-Y401 WeakPolarHBondContact O-CB 3.47Å; G398-Y401 PolarHBondContact O-N 3.37Å; G398-Y401 VanDerWaalsContact O-N 3.09Å; H399-Y401 PolarHBondContact O-N 3.48Å
402S98.5Very high98.2Very high39 Ų3936.3 Ų36.327%0.27320%0.2SC..SBendtrans-71.9144.6178.8-179.80000111.8H399 C404 S405H399-S402 PolarHBondContact O-N 2.92Å; S402-C404 VanDerWaalsContact CB-SG 3.56Å; S402-C404 PolarHBondContact O-N 2.87Å; S402-C404 PolarHBondContact OG-N 3.32Å; S402-C404 PolarHBondContact OG-SG 2.91Å; S402-S405 VanDerWaalsContact O-CB 3.32Å; S402-S405 WeakPolarHBondContact O-CB 3.43Å; S402-S405 PolarHBondContact O-N 3.02Å; S402-S405 PolarHBondContact O-OG 3.37Å
403H98Very high97.9Very high87 Ų8737.3 Ų37.340%0.40321%0.205SC..G310 helixtrans-60.4-25.3173-78.5-73.4000113.2N52 S405 G406 N409 W635N52-H403 HydrophobicContact CB-CB 4.24Å; N52-H403 PolarHBondContact OD1-ND1 2.88Å; H403-S405 PolarHBondContact O-N 3.38Å; H403-S405 VanDerWaalsContact O-N 3.12Å; H403-G406 PolarHBondContact O-N 2.97Å; H403-N409 PolarHBondContact CE1-OD1 3.46Å; H403-N409 PolarHBondContact ND1-OD1 3.3Å; H403-W635 HydrophobicContact CB-CH2 4.31Å; H403-W635 HydrophobicContact CB-CZ2 4.32Å
404C97.2Very high97.8Very high2 Ų235.7 Ų35.71%0.01420%0.2CC..G310 helixtrans-62.8-17.6174.675.90000112.9S402 G406 V620 L632 W635S402-C404 VanDerWaalsContact CB-SG 3.56Å; S402-C404 PolarHBondContact O-N 2.87Å; S402-C404 PolarHBondContact OG-N 3.32Å; S402-C404 PolarHBondContact OG-SG 2.91Å; C404-G406 VanDerWaalsContact C-N 3.25Å; C404-G406 PolarHBondContact O-N 2.9Å; C404-V620 HydrophobicContact CB-CB 4.43Å; C404-V620 HydrophobicContact CB-CG2 4.08Å; C404-V620 WeakPolarHBondContact O-CB 3.46Å; C404-V620 PolarHBondContact O-N 3.48Å; C404-L632 HydrophobicContact CB-CD1 4.4Å; C404-L632 WeakPolarHBondContact SG-CD1 3.48Å; C404-W635 HydrophobicContact CB-CD2 3.41Å; C404-W635 VanDerWaalsContact CB-CD2 3.41Å; C404-W635 HydrophobicContact CB-CE3 3.54Å; C404-W635 HydrophobicContact CB-CG 3.95Å; C404-W635 HydrophobicContact CB-CH2 3.99Å; C404-W635 HydrophobicContact CB-CZ2 3.89Å; C404-W635 HydrophobicContact CB-CZ3 3.83Å
405S98.3Very high97.7Very high0 Ų032.2 Ų32.20%018%0.184CC..G310 helixtrans-73.8-16.1172.972.80000113.1G400 S402 H403 L407 P408 S619G400-S405 PolarHBondContact O-OG 3.01Å; G400-S405 VanDerWaalsContact O-OG 3.11Å; S402-S405 VanDerWaalsContact O-CB 3.32Å; S402-S405 WeakPolarHBondContact O-CB 3.43Å; S402-S405 PolarHBondContact O-N 3.02Å; S402-S405 PolarHBondContact O-OG 3.37Å; H403-S405 PolarHBondContact O-N 3.38Å; H403-S405 VanDerWaalsContact O-N 3.12Å; S405-L407 PolarHBondContact O-N 3.28Å; S405-L407 PolarHBondContact OG-N 3.27Å; S405-P408 WeakPolarHBondContact OG-CD 3.32Å; S405-S619 VanDerWaalsContact C-OG 3.29Å; S405-S619 WeakPolarHBondContact O-CB 3.5Å; S405-S619 PolarHBondContact O-OG 3.34Å
406G97.4Very high97.6Very high1 Ų133.8 Ų33.81%0.0119%0.194CC..SBendtrans72.6-21.3-174.200000114.7H403 C404 N409 I410 G618H403-G406 PolarHBondContact O-N 2.97Å; C404-G406 VanDerWaalsContact C-N 3.25Å; C404-G406 PolarHBondContact O-N 2.9Å; G406-N409 PolarHBondContact O-N 3.35Å; G406-I410 WeakPolarHBondContact O-CG1 3.43Å; G406-I410 PolarHBondContact O-N 3.47Å; G406-G618 WeakPolarHBondContact CA-O 3.43Å
407L98.3Very high97.4Very high0 Ų033.8 Ų33.80%019%0.194CC..Hα-helixtrans-64.3-43.3-175.2-68.9163.7000113.6A296 I299 C392 R393 C396 S405 N409 I410 Y411A296-L407 HydrophobicContact CB-CD2 3.73Å; I299-L407 HydrophobicContact CB-CD2 4.26Å; I299-L407 HydrophobicContact CB-CG 4.41Å; I299-L407 HydrophobicContact CD1-CD2 4.13Å; I299-L407 HydrophobicContact CD1-CG 4.27Å; I299-L407 HydrophobicContact CG2-CD1 3.87Å; I299-L407 HydrophobicContact CG2-CD2 4.37Å; I299-L407 HydrophobicContact CG2-CG 3.99Å; C392-L407 HydrophobicContact CB-CD2 4.2Å; R393-L407 HydrophobicContact CB-CB 4Å; R393-L407 HydrophobicContact CB-CD1 4.34Å; R393-L407 HydrophobicContact CG-CB 3.94Å; C396-L407 HydrophobicContact CB-CD1 4.35Å; S405-L407 PolarHBondContact O-N 3.28Å; S405-L407 PolarHBondContact OG-N 3.27Å; L407-N409 VanDerWaalsContact C-N 3.28Å; L407-N409 PolarHBondContact O-N 2.92Å; L407-I410 PolarHBondContact O-N 2.86Å; L407-Y411 PolarHBondContact O-N 3.4Å
408P98.3Very high97.4Very high22 Ų2232.4 Ų32.414%0.14318%0.177CC..Hα-helixtrans-54.7-44.6173.1-28.135.5000112.4S405 Y411 V412S405-P408 WeakPolarHBondContact OG-CD 3.32Å; P408-Y411 PolarHBondContact O-N 3.19Å; P408-V412 WeakPolarHBondContact O-CG1 3.33Å; P408-V412 WeakPolarHBondContact O-CG2 3.21Å; P408-V412 PolarHBondContact O-N 3.4Å
409N96.4Very high97.3Very high19 Ų1933.7 Ų33.710%0.10217%0.172CC..Hα-helixtrans-68-40-178.6-68.2-10.2000112.1N52 H403 G406 L407 Y411 N413N52-N409 PolarHBondContact ND2-ND2 3.26Å; N52-N409 PolarHBondContact OD1-ND2 3.48Å; N52-N409 PolarHBondContact OD1-OD1 3.35Å; H403-N409 PolarHBondContact CE1-OD1 3.46Å; H403-N409 PolarHBondContact ND1-OD1 3.3Å; G406-N409 PolarHBondContact O-N 3.35Å; L407-N409 VanDerWaalsContact C-N 3.28Å; L407-N409 PolarHBondContact O-N 2.92Å; N409-Y411 VanDerWaalsContact C-N 3.33Å; N409-N413 VanDerWaalsContact O-CB 3.24Å; N409-N413 WeakPolarHBondContact O-CB 3.35Å; N409-N413 VanDerWaalsContact O-CG 3.29Å; N409-N413 PolarHBondContact O-N 2.83Å; N409-N413 PolarHBondContact O-ND2 3.41Å
410I96.8Very high96.8Very high5 Ų534.2 Ų34.23%0.02617%0.174CC..Hα-helixtrans-60.8-45.4174.1-66.5164.5000110A292 K295 I299 I389 G406 L407 F414A292-I410 HydrophobicContact CB-CG2 4.4Å; K295-I410 HydrophobicContact CB-CD1 3.86Å; I299-I410 HydrophobicContact CD1-CD1 3.53Å; I389-I410 HydrophobicContact CD1-CG2 4.14Å; I389-I410 HydrophobicContact CG1-CG2 4.3Å; I389-I410 HydrophobicContact CG2-CB 4.46Å; I389-I410 HydrophobicContact CG2-CG2 3.95Å; G406-I410 WeakPolarHBondContact O-CG1 3.43Å; G406-I410 PolarHBondContact O-N 3.47Å; L407-I410 PolarHBondContact O-N 2.86Å; I410-F414 WeakPolarHBondContact O-CB 3.34Å; I410-F414 PolarHBondContact O-N 2.81Å
411Y97.9Very high96.4Very high45 Ų4536.2 Ų36.218%0.17618%0.183CC..Hα-helixtrans-63.4-55.7-179-179-105000112.5F230 N386 I389 E390 L407 P408 N409 N413 F414 T415F230-Y411 HydrophobicContact CE1-CD1 4.22Å; F230-Y411 AromaticContact CE1-CE1 3.69Å; F230-Y411 HydrophobicContact CE1-CE1 3.69Å; F230-Y411 HydrophobicContact CZ-CD1 4.21Å; F230-Y411 AromaticContact CZ-CE1 3.88Å; F230-Y411 HydrophobicContact CZ-CE1 3.88Å; N386-Y411 WeakPolarHBondContact O-CE2 3.26Å; N386-Y411 WeakPolarHBondContact OD1-CE2 3.32Å; I389-Y411 HydrophobicContact CB-CD2 4.36Å; I389-Y411 HydrophobicContact CG2-CD2 4.1Å; I389-Y411 HydrophobicContact CG2-CG 4.45Å; E390-Y411 HydrophobicContact CB-CD2 4.12Å; E390-Y411 HydrophobicContact CB-CE2 3.94Å; L407-Y411 PolarHBondContact O-N 3.4Å; P408-Y411 PolarHBondContact O-N 3.19Å; N409-Y411 VanDerWaalsContact C-N 3.33Å; Y411-N413 PolarHBondContact O-N 3.09Å; Y411-F414 PolarHBondContact O-N 3.43Å; Y411-T415 WeakPolarHBondContact O-CB 3.36Å; Y411-T415 PolarHBondContact O-N 3.23Å
412V96.9Very high96Very high20 Ų2028 Ų2812%0.12116%0.155CC..Hα-helixtrans-65.9-25.8-175-590000112.8F230 P408 P416F230-V412 HydrophobicContact CD1-CG1 4.28Å; F230-V412 HydrophobicContact CD2-CB 4.44Å; F230-V412 HydrophobicContact CD2-CG1 3.7Å; F230-V412 HydrophobicContact CE1-CG1 4.15Å; F230-V412 HydrophobicContact CE2-CG1 3.53Å; F230-V412 HydrophobicContact CG-CB 4.42Å; F230-V412 HydrophobicContact CG-CG1 4.07Å; F230-V412 HydrophobicContact CZ-CG1 3.78Å; F230-V412 WeakPolarHBondContact O-CB 3.42Å; P408-V412 WeakPolarHBondContact O-CG1 3.33Å; P408-V412 WeakPolarHBondContact O-CG2 3.21Å; P408-V412 PolarHBondContact O-N 3.4Å; V412-P416 WeakPolarHBondContact O-CD 3.35Å
413N94.2Very high95.9Very high21 Ų2128.8 Ų28.811%0.11216%0.155CC..Hα-helixtrans-87.5-22175.2-67.2-17.4000112.8V97 Y232 N409 Y411V97-N413 HydrophobicContact CG2-CB 3.99Å; Y232-N413 HydrophobicContact CD2-CB 4.14Å; Y232-N413 WeakPolarHBondContact CD2-OD1 3.35Å; Y232-N413 HydrophobicContact CE2-CB 3.96Å; Y232-N413 WeakPolarHBondContact CE2-O 3.39Å; Y232-N413 PolarHBondContact N-OD1 3.33Å; N409-N413 VanDerWaalsContact O-CB 3.24Å; N409-N413 WeakPolarHBondContact O-CB 3.35Å; N409-N413 VanDerWaalsContact O-CG 3.29Å; N409-N413 PolarHBondContact O-N 2.83Å; N409-N413 PolarHBondContact O-ND2 3.41Å; Y411-N413 PolarHBondContact O-N 3.09Å
414F95.7Very high95.9Very high15 Ų1524.6 Ų24.67%0.06614%0.135CC..Hα-helixtrans-88.6-36.5176.8-179-102.5000113.2A289 A292 A385 N386 I389 I410 Y411 P416 S417A289-F414 VanDerWaalsContact CA-CE2 3.41Å; A289-F414 HydrophobicContact CB-CE2 3.96Å; A289-F414 HydrophobicContact CB-CZ 3.62Å; A292-F414 HydrophobicContact CB-CB 4.11Å; A292-F414 HydrophobicContact CB-CD2 3.42Å; A292-F414 VanDerWaalsContact CB-CD2 3.42Å; A292-F414 HydrophobicContact CB-CE2 3.97Å; A292-F414 HydrophobicContact CB-CG 3.73Å; A385-F414 HydrophobicContact CB-CE1 3.58Å; A385-F414 HydrophobicContact CB-CZ 3.71Å; N386-F414 HydrophobicContact CB-CD1 4.34Å; N386-F414 HydrophobicContact CB-CE1 4.17Å; I389-F414 HydrophobicContact CD1-CB 3.88Å; I389-F414 HydrophobicContact CD1-CD1 3.42Å; I389-F414 VanDerWaalsContact CD1-CD1 3.42Å; I389-F414 HydrophobicContact CD1-CE1 4.15Å; I389-F414 HydrophobicContact CD1-CG 3.71Å; I410-F414 WeakPolarHBondContact O-CB 3.34Å; I410-F414 PolarHBondContact O-N 2.81Å; Y411-F414 PolarHBondContact O-N 3.43Å; F414-P416 VanDerWaalsContact C-N 3.31Å; F414-P416 WeakPolarHBondContact O-CD 3.27Å; F414-P416 VanDerWaalsContact O-N 3.15Å; F414-S417 WeakPolarHBondContact CE1-OG 3.37Å; F414-S417 WeakPolarHBondContact CE2-OG 3.35Å; F414-S417 VanDerWaalsContact CZ-OG 3.24Å; F414-S417 WeakPolarHBondContact CZ-OG 3.44Å; F414-S417 WeakPolarHBondContact O-CB 3.13Å; F414-S417 PolarHBondContact O-N 3.49Å; F414-S417 PolarHBondContact O-OG 2.96Å
415T97.4Very high96Very high31 Ų3127.3 Ų27.319%0.1915%0.152CC..G310 helixtrans-54.9-31.7-173.3-160.80000115.6F230 N386 Y411 S417 C418F230-T415 HydrophobicContact CD1-CG2 4.08Å; F230-T415 HydrophobicContact CE1-CG2 4.38Å; N386-T415 WeakPolarHBondContact OD1-CA 3.45Å; N386-T415 WeakPolarHBondContact OD1-CB 3.39Å; N386-T415 PolarHBondContact OD1-OG1 3.15Å; Y411-T415 WeakPolarHBondContact O-CB 3.36Å; Y411-T415 PolarHBondContact O-N 3.23Å; T415-S417 PolarHBondContact O-N 3.16Å; T415-C418 PolarHBondContact O-N 3.12Å
416P96.1Very high95.9Very high38 Ų3829.6 Ų29.625%0.24717%0.166CC..G310 helixtrans-59.4-19174.3-23.836.1000113.7Y232 V412 F414 C418 T419 F420Y232-P416 HydrophobicContact CD2-CG 4.5Å; Y232-P416 HydrophobicContact CE2-CG 4.3Å; V412-P416 WeakPolarHBondContact O-CD 3.35Å; F414-P416 VanDerWaalsContact C-N 3.31Å; F414-P416 WeakPolarHBondContact O-CD 3.27Å; F414-P416 VanDerWaalsContact O-N 3.15Å; P416-C418 PolarHBondContact O-N 2.84Å; P416-T419 PolarHBondContact O-N 2.88Å; P416-F420 HydrophobicContact CB-CD2 4.24Å; P416-F420 HydrophobicContact CB-CE2 4.3Å; P416-F420 PolarHBondContact O-N 3.29Å
417S95.3Very high95.8Very high4 Ų429.9 Ų29.93%0.02817%0.167CC..G310 helixtrans-62.6-22175.671.70000114.4K378 F414 T415 T419K378-S417 WeakPolarHBondContact CE-O 3.33Å; K378-S417 PolarHBondContact NZ-O 2.88Å; F414-S417 WeakPolarHBondContact CE1-OG 3.37Å; F414-S417 WeakPolarHBondContact CE2-OG 3.35Å; F414-S417 VanDerWaalsContact CZ-OG 3.24Å; F414-S417 WeakPolarHBondContact CZ-OG 3.44Å; F414-S417 WeakPolarHBondContact O-CB 3.13Å; F414-S417 PolarHBondContact O-N 3.49Å; F414-S417 PolarHBondContact O-OG 2.96Å; T415-S417 PolarHBondContact O-N 3.16Å; S417-T419 PolarHBondContact O-N 2.88Å
418C97.5Very high95.8Very high13 Ų1329.9 Ų29.99%0.08817%0.167CC..G310 helixtrans-73.6-11.5171.9-61.80000113.2T415 P416 N424T415-C418 PolarHBondContact O-N 3.12Å; P416-C418 PolarHBondContact O-N 2.84Å; C418-N424 WeakPolarHBondContact CA-ND2 3.44Å; C418-N424 VanDerWaalsContact O-CG 3.22Å; C418-N424 PolarHBondContact O-N 3.2Å; C418-N424 PolarHBondContact O-OD1 2.92Å; C418-N424 VanDerWaalsContact O-OD1 3.12Å
419T96.3Very high95.8Very high96 Ų9630.1 Ų30.159%0.58917%0.167SC*.THydrogen-bonded Turntrans-119.3-48.6-173.1-52.50000113.1P416 S417 G422 E423P416-T419 PolarHBondContact O-N 2.88Å; S417-T419 PolarHBondContact O-N 2.88Å; T419-G422 CarbonylContact O-C 3.58Å; T419-E423 PolarHBondContact O-N 2.94Å
420F90.1Very high95.8Very high73 Ų7331.4 Ų31.432%0.3217%0.172SC..THydrogen-bonded Turntrans-67.7165.2-179.764.732.8000111.9L285 K378 P416 G422L285-F420 HydrophobicContact CD1-CD1 3.86Å; L285-F420 HydrophobicContact CD1-CE1 3.45Å; L285-F420 VanDerWaalsContact CD1-CE1 3.45Å; L285-F420 HydrophobicContact CD2-CD1 4.45Å; L285-F420 HydrophobicContact CD2-CE1 3.33Å; L285-F420 HydrophobicContact CD2-CZ 3.67Å; L285-F420 HydrophobicContact CG-CE1 4.01Å; K378-F420 WeakPolarHBondContact CE-O 3.46Å; K378-F420 PolarHBondContact NZ-O 2.85Å; P416-F420 HydrophobicContact CB-CD2 4.24Å; P416-F420 HydrophobicContact CB-CE2 4.3Å; P416-F420 PolarHBondContact O-N 3.29Å; F420-G422 PolarHBondContact O-N 3.34Å
421E88.8Confident95.9Very high41 Ų4131.1 Ų31.119%0.19217%0.171CC..THydrogen-bonded Turntrans54.421.3-176.8-63-57.8138.100114.4M278 V281 R282 L285M278-E421 WeakPolarHBondContact CG-OE2 3.23Å; V281-E421 HydrophobicContact CB-CG 4.36Å; V281-E421 HydrophobicContact CG1-CG 3.71Å; R282-E421 HydrophobicContact CG-CB 4.2Å; R282-E421 PolarHBondContact NE-O 3.49Å; R282-E421 PolarHBondContact NH2-O 2.81Å; L285-E421 HydrophobicContact CD1-CB 3.76Å; L285-E421 HydrophobicContact CD1-CG 3.84Å
422G90.7Very high95.9Very high16 Ų1629 Ų2917%0.16516%0.163CC..SBendtrans110.6123.3-179.600000111.7K378 T419 F420 N424 M427K378-G422 PolarHBondContact NZ-O 3.09Å; T419-G422 CarbonylContact O-C 3.58Å; F420-G422 PolarHBondContact O-N 3.34Å; G422-N424 PolarHBondContact O-N 3.16Å; G422-M427 WeakPolarHBondContact O-CG 3.29Å
423E96.3Very high95.9Very high55 Ų5534.5 Ų34.526%0.25718%0.181SC..  trans-57.2136.5174.6-172.5-73.4134.600110.1T419 T425 V426 M427T419-E423 PolarHBondContact O-N 2.94Å; E423-T425 PolarHBondContact O-N 3.28Å; E423-T425 PolarHBondContact OE1-N 3.23Å; E423-T425 PolarHBondContact OE1-OG1 3.07Å; E423-T425 WeakPolarHBondContact OE2-CA 3.12Å; E423-T425 WeakPolarHBondContact OE2-CB 3.35Å; E423-T425 PolarHBondContact OE2-N 3.42Å; E423-V426 WeakPolarHBondContact O-CB 3.25Å; E423-V426 PolarHBondContact O-N 3.37Å; E423-V426 WeakPolarHBondContact OE2-CG2 3.5Å; E423-V426 PolarHBondContact OE2-N 2.96Å; E423-M427 WeakPolarHBondContact O-CG 3.2Å; E423-M427 PolarHBondContact O-N 2.86Å
424N98.2Very high96.1Very high0 Ų035.1 Ų35.10%018%0.183CC..Hα-helixtrans-59.9-40.2-166.8-78.81.5000114.1K378 A379 S382 W383 C418 G422 V426 M427 M428K378-N424 PolarHBondContact NZ-OD1 2.68Å; A379-N424 WeakPolarHBondContact CA-OD1 3.37Å; A379-N424 HydrophobicContact CB-CB 3.8Å; A379-N424 PolarHBondContact O-ND2 3.49Å; S382-N424 PolarHBondContact OG-ND2 3.45Å; S382-N424 PolarHBondContact OG-OD1 2.68Å; W383-N424 HydrophobicContact CD2-CB 3.79Å; W383-N424 HydrophobicContact CE3-CB 4.34Å; W383-N424 HydrophobicContact CG-CB 4.38Å; W383-N424 VanDerWaalsContact CG-ND2 3.31Å; W383-N424 HydrophobicContact CH2-CB 3.89Å; W383-N424 HydrophobicContact CZ2-CB 3.24Å; W383-N424 HydrophobicContact CZ3-CB 4.39Å; W383-N424 PolarHBondContact NE1-ND2 3.38Å; W383-N424 VanDerWaalsContact NE1-ND2 3.2Å; C418-N424 WeakPolarHBondContact CA-ND2 3.44Å; C418-N424 VanDerWaalsContact O-CG 3.22Å; C418-N424 PolarHBondContact O-N 3.2Å; C418-N424 PolarHBondContact O-OD1 2.92Å; C418-N424 VanDerWaalsContact O-OD1 3.12Å; G422-N424 PolarHBondContact O-N 3.16Å; N424-V426 VanDerWaalsContact C-N 3.32Å; N424-V426 PolarHBondContact O-N 3.41Å; N424-M427 PolarHBondContact O-N 2.63Å; N424-M428 WeakPolarHBondContact O-CG 3.42Å; N424-M428 PolarHBondContact O-N 3.08Å
425T98.4Very high96.2Very high59 Ų5934.4 Ų34.436%0.36218%0.18SC..Hα-helixtrans-60.7-43.7174.8-570000111.1E423 M427 M428 L429 V524E423-T425 PolarHBondContact O-N 3.28Å; E423-T425 PolarHBondContact OE1-N 3.23Å; E423-T425 PolarHBondContact OE1-OG1 3.07Å; E423-T425 WeakPolarHBondContact OE2-CA 3.12Å; E423-T425 WeakPolarHBondContact OE2-CB 3.35Å; E423-T425 PolarHBondContact OE2-N 3.42Å; T425-M427 VanDerWaalsContact C-N 3.33Å; T425-M427 PolarHBondContact O-N 3.1Å; T425-M428 PolarHBondContact O-N 3.44Å; T425-L429 HydrophobicContact CG2-CD1 4.35Å; T425-L429 WeakPolarHBondContact O-CG 3.42Å; T425-L429 PolarHBondContact O-N 2.77Å; T425-V524 HydrophobicContact CG2-CG2 4.25Å
426V96.6Very high96.2Very high47 Ų4733.4 Ų33.429%0.28517%0.173SC..Hα-helixtrans-66.9-36.7178.5178.40000111.5T145 E423 N424 L429 Q430T145-V426 HydrophobicContact CG2-CB 3.89Å; T145-V426 HydrophobicContact CG2-CG1 3.57Å; T145-V426 HydrophobicContact CG2-CG2 3.58Å; E423-V426 WeakPolarHBondContact O-CB 3.25Å; E423-V426 PolarHBondContact O-N 3.37Å; E423-V426 WeakPolarHBondContact OE2-CG2 3.5Å; E423-V426 PolarHBondContact OE2-N 2.96Å; N424-V426 VanDerWaalsContact C-N 3.32Å; N424-V426 PolarHBondContact O-N 3.41Å; V426-L429 PolarHBondContact O-N 2.82Å; V426-Q430 PolarHBondContact O-N 3.37Å
427M96.4Very high96.2Very high8 Ų837 Ų374%0.03919%0.185CC..Hα-helixtrans-64.8-42.6174-68.2-55.693.400111.8R282 A375 A379 G422 E423 N424 T425 L429 Q430 T431R282-M427 PolarHBondContact NH2-SD 3.02Å; A375-M427 HydrophobicContact CB-CB 4.15Å; A375-M427 HydrophobicContact CB-SD 3.9Å; A379-M427 HydrophobicContact CB-CB 4.02Å; G422-M427 WeakPolarHBondContact O-CG 3.29Å; E423-M427 WeakPolarHBondContact O-CG 3.2Å; E423-M427 PolarHBondContact O-N 2.86Å; N424-M427 PolarHBondContact O-N 2.63Å; T425-M427 VanDerWaalsContact C-N 3.33Å; T425-M427 PolarHBondContact O-N 3.1Å; M427-L429 VanDerWaalsContact C-N 3.35Å; M427-L429 PolarHBondContact O-N 2.88Å; M427-Q430 VanDerWaalsContact O-CB 3.32Å; M427-Q430 WeakPolarHBondContact O-CB 3.49Å; M427-Q430 PolarHBondContact O-N 3Å; M427-Q430 VanDerWaalsContact O-N 3.1Å; M427-T431 PolarHBondContact O-N 3.46Å; M427-T431 PolarHBondContact O-OG1 2.84Å
428M98.4Very high96.3Very high0 Ų037 Ų370%019%0.185CC..Hα-helixtrans-60.2-43.9172-69.3-59.6-16800111.5A379 F380 W383 N424 T425 Q430 T431 A432 V524 S527A379-M428 HydrophobicContact CB-CE 3.74Å; A379-M428 HydrophobicContact CB-CG 4.02Å; A379-M428 HydrophobicContact CB-SD 4.06Å; F380-M428 HydrophobicContact CB-CE 3.91Å; F380-M428 HydrophobicContact CD2-CE 4.49Å; W383-M428 HydrophobicContact CE3-CE 4.04Å; W383-M428 HydrophobicContact CH2-CG 4.21Å; W383-M428 HydrophobicContact CZ3-CE 3.88Å; W383-M428 HydrophobicContact CZ3-CG 3.83Å; N424-M428 WeakPolarHBondContact O-CG 3.42Å; N424-M428 PolarHBondContact O-N 3.08Å; T425-M428 PolarHBondContact O-N 3.44Å; M428-Q430 PolarHBondContact O-N 3.15Å; M428-T431 WeakPolarHBondContact O-CB 3.12Å; M428-T431 PolarHBondContact O-N 2.89Å; M428-T431 VanDerWaalsContact O-N 3.17Å; M428-A432 PolarHBondContact O-N 2.84Å; M428-V524 HydrophobicContact CB-CB 4.43Å; M428-V524 HydrophobicContact CB-CG1 4.05Å; M428-V524 HydrophobicContact CB-CG2 4.09Å; M428-V524 HydrophobicContact CG-CG1 4.3Å; M428-S527 WeakPolarHBondContact O-CB 3.48Å; M428-S527 PolarHBondContact O-OG 2.75Å
429L98.2Very high96.2Very high26 Ų2637.2 Ų37.214%0.13618%0.184CC..Hα-helixtrans-64.5-28.4175.5-71.3172.3000112.8T425 V426 M427 A432 R433 W516 L523 V524T425-L429 HydrophobicContact CG2-CD1 4.35Å; T425-L429 WeakPolarHBondContact O-CG 3.42Å; T425-L429 PolarHBondContact O-N 2.77Å; V426-L429 PolarHBondContact O-N 2.82Å; M427-L429 VanDerWaalsContact C-N 3.35Å; M427-L429 PolarHBondContact O-N 2.88Å; L429-A432 PolarHBondContact O-N 3.18Å; L429-R433 WeakPolarHBondContact O-CG 3.39Å; L429-R433 PolarHBondContact O-N 3.43Å; L429-R433 VanDerWaalsContact O-N 3.12Å; L429-W516 HydrophobicContact CB-CZ2 4.49Å; L429-W516 HydrophobicContact CD2-CZ2 4.23Å; L429-W516 WeakPolarHBondContact O-CZ2 3.48Å; L429-L523 HydrophobicContact CD2-CB 4.1Å; L429-V524 HydrophobicContact CD2-CG2 3.85Å; L429-V524 HydrophobicContact CG-CG2 3.96Å
430Q95.6Very high96.1Very high46 Ų4637 Ų3722%0.21518%0.179CC..Hα-helixtrans-69.7-43.1173.2-168.3-176.9-98.200111.5H371 V426 M427 M428 A432 R433 F434H371-Q430 PolarHBondContact CD2-NE2 3.29Å; H371-Q430 PolarHBondContact NE2-NE2 3.27Å; H371-Q430 PolarHBondContact NE2-OE1 3.11Å; H371-Q430 VanDerWaalsContact NE2-OE1 3.11Å; V426-Q430 PolarHBondContact O-N 3.37Å; M427-Q430 VanDerWaalsContact O-CB 3.32Å; M427-Q430 WeakPolarHBondContact O-CB 3.49Å; M427-Q430 PolarHBondContact O-N 3Å; M427-Q430 VanDerWaalsContact O-N 3.1Å; M428-Q430 PolarHBondContact O-N 3.15Å; Q430-A432 VanDerWaalsContact C-N 3.32Å; Q430-R433 PolarHBondContact O-N 2.84Å; Q430-F434 PolarHBondContact O-N 3.11Å
431T97.9Very high96.3Very high0 Ų036.6 Ų36.60%018%0.178CC..Hα-helixtrans-60.3-43170.7-55.20000110.9A372 G376 M427 M428 R433 F434 L435A372-T431 PolarHBondContact O-OG1 3.32Å; G376-T431 VanDerWaalsContact CA-OG1 3.25Å; G376-T431 WeakPolarHBondContact CA-OG1 3.45Å; G376-T431 PolarHBondContact N-OG1 2.92Å; G376-T431 VanDerWaalsContact N-OG1 3.13Å; M427-T431 PolarHBondContact O-N 3.46Å; M427-T431 PolarHBondContact O-OG1 2.84Å; M428-T431 WeakPolarHBondContact O-CB 3.12Å; M428-T431 PolarHBondContact O-N 2.89Å; M428-T431 VanDerWaalsContact O-N 3.17Å; T431-R433 VanDerWaalsContact C-N 3.28Å; T431-R433 PolarHBondContact O-N 3.5Å; T431-F434 WeakPolarHBondContact O-CA 3.39Å; T431-F434 WeakPolarHBondContact O-CB 3.49Å; T431-F434 PolarHBondContact O-N 3.24Å; T431-L435 HydrophobicContact CG2-CD1 4.21Å; T431-L435 HydrophobicContact CG2-CG 4.41Å; T431-L435 WeakPolarHBondContact O-CG 3.31Å; T431-L435 PolarHBondContact O-N 3.06Å
432A98.4Very high96.5Very high1 Ų135.3 Ų35.31%0.00817%0.173CC..Hα-helixtrans-57.8-39.6177.200000112.4M428 L429 Q430 F434 L435 M436 W516 L523 S527M428-A432 PolarHBondContact O-N 2.84Å; L429-A432 PolarHBondContact O-N 3.18Å; Q430-A432 VanDerWaalsContact C-N 3.32Å; A432-F434 VanDerWaalsContact C-N 3.29Å; A432-F434 PolarHBondContact O-N 2.91Å; A432-L435 PolarHBondContact O-N 3.25Å; A432-M436 WeakPolarHBondContact O-CG 3.4Å; A432-M436 PolarHBondContact O-N 3.16Å; A432-W516 HydrophobicContact CB-CH2 3.92Å; A432-W516 HydrophobicContact CB-CZ2 4.18Å; A432-L523 HydrophobicContact CB-CB 3.75Å; A432-L523 HydrophobicContact CB-CD2 4.04Å; A432-L523 HydrophobicContact CB-CG 4.45Å; A432-L523 WeakPolarHBondContact CB-O 3.31Å; A432-S527 VanDerWaalsContact CA-OG 3.27Å; A432-S527 WeakPolarHBondContact CA-OG 3.47Å; A432-S527 VanDerWaalsContact CB-OG 3.28Å; A432-S527 WeakPolarHBondContact CB-OG 3.25Å; A432-S527 PolarHBondContact N-OG 3.39Å
433R97.6Very high96.5Very high135 Ų13538.2 Ų38.251%0.50918%0.183SC..Hα-helixtrans-61.8-39176.9-74.4-176.7-174.3105.10.6111.8L429 Q430 T431 K437 W516L429-R433 WeakPolarHBondContact O-CG 3.39Å; L429-R433 PolarHBondContact O-N 3.43Å; L429-R433 VanDerWaalsContact O-N 3.12Å; Q430-R433 PolarHBondContact O-N 2.84Å; T431-R433 VanDerWaalsContact C-N 3.28Å; T431-R433 PolarHBondContact O-N 3.5Å; R433-K437 WeakPolarHBondContact O-CB 3.48Å; R433-K437 PolarHBondContact O-N 2.87Å; R433-K437 VanDerWaalsContact O-N 3.09Å; R433-W516 HydrophobicContact CB-CH2 4.05Å; R433-W516 HydrophobicContact CG-CH2 3.26Å; R433-W516 HydrophobicContact CG-CZ2 3.41Å; R433-W516 VanDerWaalsContact CG-CZ2 3.41Å; R433-W516 HydrophobicContact CG-CZ3 3.95Å
434F97.2Very high96.2Very high33 Ų3339.4 Ų39.415%0.14520%0.197CC..Hα-helixtrans-65.4-46.5174170.4-100.2000110.9P368 E369 A372 Q430 T431 A432 M436 K437 S438 V452P368-F434 HydrophobicContact CB-CE2 4.44Å; E369-F434 HydrophobicContact CB-CE2 4.1Å; E369-F434 HydrophobicContact CB-CZ 3.79Å; E369-F434 HydrophobicContact CG-CE1 4.35Å; E369-F434 HydrophobicContact CG-CZ 3.9Å; A372-F434 HydrophobicContact CB-CB 3.42Å; A372-F434 VanDerWaalsContact CB-CB 3.42Å; A372-F434 HydrophobicContact CB-CD1 3.58Å; A372-F434 HydrophobicContact CB-CD2 4.08Å; A372-F434 HydrophobicContact CB-CE1 4.34Å; A372-F434 HydrophobicContact CB-CG 3.42Å; A372-F434 VanDerWaalsContact CB-CG 3.42Å; Q430-F434 PolarHBondContact O-N 3.11Å; T431-F434 WeakPolarHBondContact O-CA 3.39Å; T431-F434 WeakPolarHBondContact O-CB 3.49Å; T431-F434 PolarHBondContact O-N 3.24Å; A432-F434 VanDerWaalsContact C-N 3.29Å; A432-F434 PolarHBondContact O-N 2.91Å; F434-M436 PolarHBondContact O-N 3.32Å; F434-K437 PolarHBondContact O-N 3.16Å; F434-S438 PolarHBondContact O-N 3.46Å; F434-S438 PolarHBondContact O-OG 3.46Å; F434-S438 VanDerWaalsContact O-OG 3.09Å; F434-V452 HydrophobicContact CE1-CB 4.13Å; F434-V452 HydrophobicContact CE1-CG1 3.86Å; F434-V452 HydrophobicContact CE1-CG2 4.48Å; F434-V452 HydrophobicContact CZ-CG1 3.75Å
435L98.1Very high95.8Very high0 Ų041.9 Ų41.90%022%0.223CC..Hα-helixtrans-60.5-45.6178.5-64174.3000112.5T431 A432 K437 S438 Y439 V452 V495 H530T431-L435 HydrophobicContact CG2-CD1 4.21Å; T431-L435 HydrophobicContact CG2-CG 4.41Å; T431-L435 WeakPolarHBondContact O-CG 3.31Å; T431-L435 PolarHBondContact O-N 3.06Å; A432-L435 PolarHBondContact O-N 3.25Å; L435-K437 VanDerWaalsContact C-N 3.35Å; L435-K437 PolarHBondContact O-N 3.37Å; L435-S438 PolarHBondContact O-N 3Å; L435-Y439 WeakPolarHBondContact O-CB 3.26Å; L435-Y439 PolarHBondContact O-N 3.17Å; L435-V452 HydrophobicContact CD2-CG2 4.36Å; L435-V495 HydrophobicContact CB-CG1 4.48Å; L435-V495 HydrophobicContact CB-CG2 4.35Å; L435-V495 HydrophobicContact CD1-CG2 4.04Å; L435-H530 HydrophobicContact CD1-CB 3.87Å; L435-H530 HydrophobicContact CD2-CB 4.34Å
436M97.8Very high95.5Very high11 Ų1145.4 Ų45.45%0.05423%0.233CC..Hα-helixtrans-63.2-40.6176.6-65.8-58.296.700111.7A432 F434 Y439 D440 V495 A498 A499 L502 W516 L523A432-M436 WeakPolarHBondContact O-CG 3.4Å; A432-M436 PolarHBondContact O-N 3.16Å; F434-M436 PolarHBondContact O-N 3.32Å; M436-Y439 WeakPolarHBondContact O-CB 3.41Å; M436-Y439 PolarHBondContact O-N 2.83Å; M436-D440 VanDerWaalsContact O-CG 3.31Å; M436-D440 PolarHBondContact O-N 3.35Å; M436-V495 HydrophobicContact CE-CG1 3.78Å; M436-A498 HydrophobicContact CE-CB 4.16Å; M436-A499 HydrophobicContact CE-CB 4.19Å; M436-A499 HydrophobicContact SD-CB 3.78Å; M436-L502 HydrophobicContact CG-CD2 4.22Å; M436-L502 HydrophobicContact SD-CD2 4.29Å; M436-W516 HydrophobicContact CG-CH2 4.42Å; M436-W516 HydrophobicContact CG-CZ3 4Å; M436-L523 HydrophobicContact CE-CD2 4.17Å; M436-L523 HydrophobicContact CG-CD2 3.55Å; M436-L523 HydrophobicContact SD-CD2 3.72Å
437K96.6Very high95.3Very high113 Ų11350.5 Ų50.549%0.49126%0.258SS..Hα-helixtrans-62.9-43.6175.2-177-174175.4-169.90111.8R433 F434 L435 D440 Q441R433-K437 WeakPolarHBondContact O-CB 3.48Å; R433-K437 PolarHBondContact O-N 2.87Å; R433-K437 VanDerWaalsContact O-N 3.09Å; F434-K437 PolarHBondContact O-N 3.16Å; L435-K437 VanDerWaalsContact C-N 3.35Å; L435-K437 PolarHBondContact O-N 3.37Å; K437-D440 PolarHBondContact O-N 2.91Å; K437-Q441 WeakPolarHBondContact O-CG 3.21Å; K437-Q441 PolarHBondContact O-N 3.3Å
438S96.3Very high95.1Very high4 Ų450.7 Ų50.73%0.02826%0.259CS..Hα-helixtrans-65.9-40.2177.6-61.30000111.3F434 L435 Q441 V442F434-S438 PolarHBondContact O-N 3.46Å; F434-S438 PolarHBondContact O-OG 3.46Å; F434-S438 VanDerWaalsContact O-OG 3.09Å; L435-S438 PolarHBondContact O-N 3Å; S438-Q441 WeakPolarHBondContact O-CB 3.27Å; S438-Q441 PolarHBondContact O-N 3.01Å; S438-V442 WeakPolarHBondContact O-CG2 3.24Å; S438-V442 PolarHBondContact O-N 3.17Å
439Y95.8Very high94.8Very high17 Ų1755.3 Ų55.37%0.06729%0.291CS..Hα-helixtrans-58.3-48.6172.6179.8-85.4000111.6L435 M436 Q441 V442 H443 L458 V495 E496 A499L435-Y439 WeakPolarHBondContact O-CB 3.26Å; L435-Y439 PolarHBondContact O-N 3.17Å; M436-Y439 WeakPolarHBondContact O-CB 3.41Å; M436-Y439 PolarHBondContact O-N 2.83Å; Y439-Q441 VanDerWaalsContact C-N 3.28Å; Y439-Q441 PolarHBondContact O-N 3.19Å; Y439-V442 PolarHBondContact O-N 3.25Å; Y439-H443 PolarHBondContact O-N 3.26Å; Y439-L458 HydrophobicContact CD2-CD1 3.82Å; Y439-L458 HydrophobicContact CE2-CD1 3.78Å; Y439-V495 HydrophobicContact CD2-CG1 4.15Å; Y439-E496 HydrophobicContact CE2-CB 4.31Å; Y439-E496 HydrophobicContact CE2-CG 4.25Å; Y439-A499 HydrophobicContact CD1-CB 3.61Å; Y439-A499 HydrophobicContact CD2-CB 4.12Å; Y439-A499 HydrophobicContact CE1-CB 3.54Å; Y439-A499 HydrophobicContact CE2-CB 4.03Å; Y439-A499 HydrophobicContact CG-CB 3.91Å
440D94.4Very high94.5Very high91 Ų9155.9 Ų55.949%0.48730%0.303SS..Hα-helixtrans-61.6-36.4177.2-71.2-21.4000112M436 K437 H443 S444M436-D440 VanDerWaalsContact O-CG 3.31Å; M436-D440 PolarHBondContact O-N 3.35Å; K437-D440 PolarHBondContact O-N 2.91Å; D440-H443 PolarHBondContact O-N 3.33Å; D440-S444 WeakPolarHBondContact O-CB 3.47Å; D440-S444 PolarHBondContact O-N 3.02Å; D440-S444 PolarHBondContact O-OG 3.43Å
441Q94.1Very high94.5Very high65 Ų6554.4 Ų54.430%0.30430%0.296SS..Hα-helixtrans-62.7-48.2175.2-76.2176.1-18.500111.5K437 S438 Y439 H443 S444 G445 K446 V448K437-Q441 WeakPolarHBondContact O-CG 3.21Å; K437-Q441 PolarHBondContact O-N 3.3Å; S438-Q441 WeakPolarHBondContact O-CB 3.27Å; S438-Q441 PolarHBondContact O-N 3.01Å; Y439-Q441 VanDerWaalsContact C-N 3.28Å; Y439-Q441 PolarHBondContact O-N 3.19Å; Q441-H443 PolarHBondContact O-N 3.06Å; Q441-S444 PolarHBondContact O-N 3.34Å; Q441-S444 PolarHBondContact O-OG 3.4Å; Q441-G445 PolarHBondContact O-N 3.44Å; Q441-K446 HydrophobicContact CB-CB 4.35Å; Q441-K446 WeakPolarHBondContact O-CB 3.29Å; Q441-K446 PolarHBondContact O-N 3.45Å; Q441-V448 HydrophobicContact CB-CG1 4.06Å
442V93.6Very high94.4Very high15 Ų1554.6 Ų54.69%0.09130%0.297CS..Hα-helixtrans-60.8-45.4175.9176.70000111.3S438 Y439 S444 G445 K446 V448 L455S438-V442 WeakPolarHBondContact O-CG2 3.24Å; S438-V442 PolarHBondContact O-N 3.17Å; Y439-V442 PolarHBondContact O-N 3.25Å; V442-S444 PolarHBondContact O-N 2.97Å; V442-G445 WeakPolarHBondContact O-CA 3.37Å; V442-G445 PolarHBondContact O-N 3.4Å; V442-K446 VanDerWaalsContact CA-O 3.26Å; V442-K446 WeakPolarHBondContact CA-O 3.49Å; V442-V448 HydrophobicContact CG2-CB 4.4Å; V442-V448 HydrophobicContact CG2-CG1 3.91Å; V442-V448 HydrophobicContact CG2-CG2 3.68Å; V442-L455 WeakPolarHBondContact CG1-O 3.18Å; V442-L455 HydrophobicContact CG2-CB 4.04Å
443H89.5Confident94.2Very high77 Ų7756.9 Ų56.936%0.35631%0.313SS..Hα-helixtrans-63.3-27.7178.6-154.678.7000112.7Y439 D440 Q441 G445 Q461Y439-H443 PolarHBondContact O-N 3.26Å; D440-H443 PolarHBondContact O-N 3.33Å; Q441-H443 PolarHBondContact O-N 3.06Å; H443-G445 PolarHBondContact O-N 3.42Å; H443-Q461 VanDerWaalsContact CE1-CD 3.5Å; H443-Q461 PolarHBondContact CE1-OE1 3.22Å; H443-Q461 PolarHBondContact NE2-OE1 3.22Å
444S90.8Very high94.1Very high79 Ų7950.6 Ų50.655%0.55229%0.29SS*.THydrogen-bonded Turntrans-79.91.6172.376.60000114.5D440 Q441 V442D440-S444 WeakPolarHBondContact O-CB 3.47Å; D440-S444 PolarHBondContact O-N 3.02Å; D440-S444 PolarHBondContact O-OG 3.43Å; Q441-S444 PolarHBondContact O-N 3.34Å; Q441-S444 PolarHBondContact O-OG 3.4Å; V442-S444 PolarHBondContact O-N 2.97Å
445G89.7Confident93.9Very high53 Ų5349 Ų4955%0.54628%0.283SS..THydrogen-bonded Turntrans86.916.4179.400000115Q441 V442 H443Q441-G445 PolarHBondContact O-N 3.44Å; V442-G445 WeakPolarHBondContact O-CA 3.37Å; V442-G445 PolarHBondContact O-N 3.4Å; H443-G445 PolarHBondContact O-N 3.42Å
446K92.5Very high93.6Very high132 Ų13251.1 Ų51.157%0.57429%0.294SS*.  trans-97.9135.3175.7-62.4-179.5179.1-1800110.4Q441 V442Q441-K446 HydrophobicContact CB-CB 4.35Å; Q441-K446 WeakPolarHBondContact O-CB 3.29Å; Q441-K446 PolarHBondContact O-N 3.45Å; V442-K446 VanDerWaalsContact CA-O 3.26Å; V442-K446 WeakPolarHBondContact CA-O 3.49Å
447L92.4Very high93.2Very high154 Ų15455.3 Ų55.381%0.80632%0.316SS*.  trans-75.9138.8171.6-63.6175000110.6N456L447-N456 WeakPolarHBondContact CA-OD1 3.42Å; L447-N456 HydrophobicContact CD2-CB 4.17Å
448V93.2Very high92.4Very high13 Ų1351 Ų518%0.07930%0.299CS..  trans-106150170.9-61.40000110.4Q441 V442 V452 L455 N456Q441-V448 HydrophobicContact CB-CG1 4.06Å; V442-V448 HydrophobicContact CG2-CB 4.4Å; V442-V448 HydrophobicContact CG2-CG1 3.91Å; V442-V448 HydrophobicContact CG2-CG2 3.68Å; V448-V452 HydrophobicContact CG2-CG1 4.46Å; V448-V452 HydrophobicContact CG2-CG2 4.4Å; V448-V452 WeakPolarHBondContact CG2-O 3.36Å; V448-L455 HydrophobicContact CG2-CB 4.31Å; V448-N456 PolarHBondContact N-OD1 3.12Å; V448-N456 PolarHBondContact O-ND2 2.86Å
449C91.9Very high91Very high97 Ų9755.8 Ų55.866%0.65533%0.329SS*.  trans-112.4-175.1-179.960.40000111.6V452C449-V452 WeakPolarHBondContact O-CG1 3.27Å
450G91.9Very high89Confident38 Ų3858.3 Ų58.339%0.39235%0.35SS..G310 helixtrans75.2-153.5176.300000114.1E369 V452 S453E369-G450 WeakPolarHBondContact OE1-CA 3.33Å; G450-V452 PolarHBondContact O-N 3.38Å; G450-S453 VanDerWaalsContact O-CB 3.27Å; G450-S453 WeakPolarHBondContact O-CB 3.37Å; G450-S453 PolarHBondContact O-N 3.45Å; G450-S453 PolarHBondContact O-OG 3.46Å
451M94.2Very high86.8Confident15 Ų1561.4 Ų61.47%0.07436%0.361CS..G310 helixtrans-68.1-14179.8-68.3-62.1173.300112.8Y347 E369 L373 Y454 V534 K537 L538Y347-M451 HydrophobicContact CE1-CE 4.21Å; Y347-M451 HydrophobicContact CE2-CE 4.21Å; Y347-M451 VanDerWaalsContact OH-CE 3.26Å; Y347-M451 WeakPolarHBondContact OH-CE 3.43Å; E369-M451 PolarHBondContact OE1-N 2.9Å; L373-M451 HydrophobicContact CD2-CG 4.39Å; M451-Y454 WeakPolarHBondContact O-CD1 3.47Å; M451-Y454 WeakPolarHBondContact O-CE1 3.47Å; M451-V534 HydrophobicContact CB-CG2 4.04Å; M451-V534 HydrophobicContact CG-CG2 4.19Å; M451-V534 HydrophobicContact SD-CG2 4.36Å; M451-K537 HydrophobicContact SD-CD 3.97Å; M451-L538 HydrophobicContact CE-CD2 3.98Å
452V95.8Very high84.4Confident3 Ų368.1 Ų68.12%0.01838%0.384CS..G310 helixtrans-97.11.5177.958.50000113F434 L435 V448 C449 G450 Y454 L455F434-V452 HydrophobicContact CE1-CB 4.13Å; F434-V452 HydrophobicContact CE1-CG1 3.86Å; F434-V452 HydrophobicContact CE1-CG2 4.48Å; F434-V452 HydrophobicContact CZ-CG1 3.75Å; L435-V452 HydrophobicContact CD2-CG2 4.36Å; V448-V452 HydrophobicContact CG2-CG1 4.46Å; V448-V452 HydrophobicContact CG2-CG2 4.4Å; V448-V452 WeakPolarHBondContact CG2-O 3.36Å; C449-V452 WeakPolarHBondContact O-CG1 3.27Å; G450-V452 PolarHBondContact O-N 3.38Å; V452-Y454 PolarHBondContact O-N 3.21Å; V452-L455 HydrophobicContact CG2-CB 4.47Å; V452-L455 HydrophobicContact CG2-CD1 3.28Å; V452-L455 HydrophobicContact CG2-CG 3.73Å; V452-L455 WeakPolarHBondContact O-CB 3.44Å; V452-L455 PolarHBondContact O-N 3.24Å
453S95.2Very high82Confident50 Ų5075 Ų7535%0.3542%0.418SS..G310 helixtrans-56.7-24.7-179.758.50000114.4G450 L455 N456G450-S453 VanDerWaalsContact O-CB 3.27Å; G450-S453 WeakPolarHBondContact O-CB 3.37Å; G450-S453 PolarHBondContact O-N 3.45Å; G450-S453 PolarHBondContact O-OG 3.46Å; S453-L455 PolarHBondContact O-N 3.33Å; S453-L455 VanDerWaalsContact O-N 3.13Å; S453-N456 WeakPolarHBondContact O-CB 3.42Å; S453-N456 VanDerWaalsContact O-CG 3.32Å; S453-N456 PolarHBondContact O-N 2.84Å; S453-N456 PolarHBondContact O-ND2 2.93Å
454Y94.3Very high79.4Confident3 Ų379 Ų791%0.01244%0.437CS..G310 helixtrans-60.3-19.7174.466.3-103.7000114M451 V452 N456 D457 K488 A491 A492 H530 Y533M451-Y454 WeakPolarHBondContact O-CD1 3.47Å; M451-Y454 WeakPolarHBondContact O-CE1 3.47Å; V452-Y454 PolarHBondContact O-N 3.21Å; Y454-N456 PolarHBondContact O-N 3.32Å; Y454-D457 PolarHBondContact O-N 2.91Å; Y454-K488 VanDerWaalsContact CB-CG 3.42Å; Y454-K488 HydrophobicContact CD1-CG 4.41Å; Y454-K488 HydrophobicContact CG-CG 3.99Å; Y454-A491 HydrophobicContact CE2-CB 4.25Å; Y454-A492 HydrophobicContact CD2-CB 3.71Å; Y454-A492 HydrophobicContact CE2-CB 4.01Å; Y454-H530 AromaticContact CE1-ND1 3.54Å; Y454-H530 AromaticContact CZ-ND1 3.63Å; Y454-H530 PolarHBondContact OH-ND1 2.96Å; Y454-Y533 HydrophobicContact CD1-CD1 4.19Å; Y454-Y533 AromaticContact CD1-CE1 3.63Å; Y454-Y533 HydrophobicContact CD1-CE1 3.63Å; Y454-Y533 AromaticContact CE1-CD1 3.9Å; Y454-Y533 HydrophobicContact CE1-CD1 3.9Å; Y454-Y533 AromaticContact CE1-CE1 3.73Å; Y454-Y533 HydrophobicContact CE1-CE1 3.73Å
455L94.3Very high77Confident0 Ų081 Ų810%045%0.448CS..G310 helixtrans-66.9-23.5175.8-66.7-175.5000112.1V442 V448 V452 S453 D457 L458 V495V442-L455 WeakPolarHBondContact CG1-O 3.18Å; V442-L455 HydrophobicContact CG2-CB 4.04Å; V448-L455 HydrophobicContact CG2-CB 4.31Å; V452-L455 HydrophobicContact CG2-CB 4.47Å; V452-L455 HydrophobicContact CG2-CD1 3.28Å; V452-L455 HydrophobicContact CG2-CG 3.73Å; V452-L455 WeakPolarHBondContact O-CB 3.44Å; V452-L455 PolarHBondContact O-N 3.24Å; S453-L455 PolarHBondContact O-N 3.33Å; S453-L455 VanDerWaalsContact O-N 3.13Å; L455-D457 PolarHBondContact O-N 3.07Å; L455-L458 HydrophobicContact CB-CD1 4.4Å; L455-L458 HydrophobicContact CD2-CD1 3.67Å; L455-L458 WeakPolarHBondContact O-CB 3.36Å; L455-L458 PolarHBondContact O-N 3.39Å; L455-L458 VanDerWaalsContact O-N 3.16Å; L455-V495 HydrophobicContact CD1-CG1 4.36Å; L455-V495 HydrophobicContact CD2-CB 4.14Å; L455-V495 HydrophobicContact CD2-CG1 3.78Å
456N92.4Very high74.4Confident43 Ų4385.9 Ų85.923%0.2346%0.457CS..G310 helixtrans-62.7-22.7176.4-61-41.6000112.5L447 V448 S453 Y454 L458L447-N456 WeakPolarHBondContact CA-OD1 3.42Å; L447-N456 HydrophobicContact CD2-CB 4.17Å; V448-N456 PolarHBondContact N-OD1 3.12Å; V448-N456 PolarHBondContact O-ND2 2.86Å; S453-N456 WeakPolarHBondContact O-CB 3.42Å; S453-N456 VanDerWaalsContact O-CG 3.32Å; S453-N456 PolarHBondContact O-N 2.84Å; S453-N456 PolarHBondContact O-ND2 2.93Å; Y454-N456 PolarHBondContact O-N 3.32Å; N456-L458 VanDerWaalsContact C-N 3.31Å
457D87.4Confident72.2Confident99 Ų9989.1 Ų89.153%0.52947%0.474SS..G310 helixtrans-84.3-5.5-179-56.9-23.6000112.4Y454 L455 K488Y454-D457 PolarHBondContact O-N 2.91Å; L455-D457 PolarHBondContact O-N 3.07Å; D457-K488 VanDerWaalsContact OD2-CE 3.31Å; D457-K488 WeakPolarHBondContact OD2-CE 3.35Å; D457-K488 IonicContact OD2-NZ 3.98Å; D457-K488 PolarHBondContact OD2-NZ 2.95Å
458L80.6Confident69.6Low24 Ų2487.8 Ų87.813%0.12647%0.472CS..SBendtrans-66.5141.7177.6-73.3172.9000110.8Y439 L455 N456 S460 A492 E496Y439-L458 HydrophobicContact CD2-CD1 3.82Å; Y439-L458 HydrophobicContact CE2-CD1 3.78Å; L455-L458 HydrophobicContact CB-CD1 4.4Å; L455-L458 HydrophobicContact CD2-CD1 3.67Å; L455-L458 WeakPolarHBondContact O-CB 3.36Å; L455-L458 PolarHBondContact O-N 3.39Å; L455-L458 VanDerWaalsContact O-N 3.16Å; N456-L458 VanDerWaalsContact C-N 3.31Å; L458-S460 PolarHBondContact O-N 3.48Å; L458-A492 HydrophobicContact CD2-CB 4.07Å; L458-E496 HydrophobicContact CD2-CB 4.3Å
459P66.4Low67Low103 Ų10390.9 Ų90.967%0.66950%0.499SS*.  trans-60.5108.5-179.622.8-31.2000110
460S54.4Low64.7Low70 Ų7092.9 Ų92.949%0.4951%0.508SS..  trans-64.3140.9173.4-62.90000108.8L458 R462L458-S460 PolarHBondContact O-N 3.48Å; S460-R462 PolarHBondContact O-N 2.95Å
461Q48.5Very low62.7Low156 Ų15698.1 Ų98.173%0.72952%0.516SS*.SBendtrans-60.27169.4-84.5178.2-16.800114.1H443 I463H443-Q461 VanDerWaalsContact CE1-CD 3.5Å; H443-Q461 PolarHBondContact CE1-OE1 3.22Å; H443-Q461 PolarHBondContact NE2-OE1 3.22Å; Q461-I463 PolarHBondContact O-N 2.98Å; Q461-I463 VanDerWaalsContact O-N 3.15Å
462R42.7Very low60.6Low206 Ų206101.1 Ų101.178%0.77754%0.537SS*.SBendtrans-76.699.8167.8-71.5-169.9-172-175.74.5108.8S460 Q464S460-R462 PolarHBondContact O-N 2.95Å; R462-Q464 PolarHBondContact O-N 3.18Å
463I43.2Very low58.8Low159 Ų159103.7 Ų103.782%0.81555%0.552SS**  trans-38.5104.2165.5-58.5167.7000109.9Q461Q461-I463 PolarHBondContact O-N 2.98Å; Q461-I463 VanDerWaalsContact O-N 3.15Å
464Q34.8Very low57.5Low163 Ų163109.5 Ų109.576%0.76258%0.576SS**  trans-116.3113.3144.6-82.4-162.76.900107.1R462 Q466R462-Q464 PolarHBondContact O-N 3.18Å; Q464-Q466 VanDerWaalsContact C-N 3.31Å; Q464-Q466 PolarHBondContact O-N 2.97Å; Q464-Q466 VanDerWaalsContact O-N 3.1Å
465P42.3Very low56.8Low120 Ų120109.8 Ų109.878%0.77958%0.578SS**  trans-80.787.2169.431.3-22.9000107.4
466Q34.7Very low56.7Low155 Ų155113.5 Ų113.572%0.72460%0.598SS**  trans-129.3107155.6-90.2-176.3-16.800108.3Q464 V468Q464-Q466 VanDerWaalsContact C-N 3.31Å; Q464-Q466 PolarHBondContact O-N 2.97Å; Q464-Q466 VanDerWaalsContact O-N 3.1Å; Q466-V468 PolarHBondContact O-N 3.31Å
467Q46.4Very low56.6Low201 Ų201112 Ų11294%0.93959%0.59SS**  trans-63.694.9161.8-73.6179.2-37.100108.6
468V37.3Very low56.9Low125 Ų125110.9 Ų110.976%0.75858%0.584SS**  trans-148.6124.1160-161.50000109.6Q466Q466-V468 PolarHBondContact O-N 3.31Å
469A38.3Very low57.6Low79 Ų79110.9 Ų110.965%0.65359%0.586SS**  trans70.285.5176.100000117.3W471A469-W471 PolarHBondContact O-N 3.43Å
470V44.6Very low58.9Low138 Ų138106 Ų10684%0.83655%0.554SS**  trans-49.6117.2145.6177.60000106.9P472V470-P472 WeakPolarHBondContact O-CD 3.45Å; V470-P472 VanDerWaalsContact O-N 3.17Å
471W48.8Very low60.8Low148 Ų148107.1 Ų107.156%0.56155%0.551SS**  trans-64.2116176.7-69.550.8000107.9A469 L489A469-W471 PolarHBondContact O-N 3.43Å; W471-L489 HydrophobicContact CE3-CD1 3.9Å; W471-L489 HydrophobicContact CE3-CD2 4.11Å; W471-L489 HydrophobicContact CH2-CD2 3.83Å; W471-L489 HydrophobicContact CZ3-CD1 3.63Å; W471-L489 HydrophobicContact CZ3-CD2 3.34Å; W471-L489 HydrophobicContact CZ3-CG 4.11Å
472P51.2Low63Low79 Ų79100.7 Ų100.751%0.51352%0.524SS..  -121.5110112.931.2-25.2000107.8V470 M474V470-P472 WeakPolarHBondContact O-CD 3.45Å; V470-P472 VanDerWaalsContact O-N 3.17Å; P472-M474 PolarHBondContact O-N 3.03Å; P472-M474 VanDerWaalsContact O-N 3.09Å
473T56.6Low65.6Low56 Ų5690.9 Ų90.934%0.34449%0.487SS..  trans-53.1121.5154.8-51.50000105.2V475T473-V475 PolarHBondContact O-N 3.27Å
474M68.5Low68.2Low172 Ų17284.2 Ų84.285%0.84745%0.453SS*.  trans-64.790.6173-168.8176.2-169.200106.5P472 D476P472-M474 PolarHBondContact O-N 3.03Å; P472-M474 VanDerWaalsContact O-N 3.09Å; M474-D476 PolarHBondContact O-N 3.02Å; M474-D476 VanDerWaalsContact O-N 3.13Å
475V79.8Confident71.1Confident9 Ų979.1 Ų79.16%0.05543%0.43CS..  trans-65.6112.1178.1-179.80000107.2T473 I477 S482 L483 A486 M580 Q584T473-V475 PolarHBondContact O-N 3.27Å; V475-I477 PolarHBondContact O-N 3.18Å; V475-S482 WeakPolarHBondContact CA-OG 3.45Å; V475-L483 HydrophobicContact CG1-CD2 4.21Å; V475-A486 HydrophobicContact CG1-CB 4.19Å; V475-A486 HydrophobicContact CG2-CB 4.16Å; V475-M580 HydrophobicContact CB-CE 4.43Å; V475-M580 HydrophobicContact CB-CG 4.39Å; V475-M580 HydrophobicContact CG1-CE 4.12Å; V475-M580 HydrophobicContact CG1-SD 4.45Å; V475-M580 HydrophobicContact CG2-CG 4.03Å; V475-Q584 VanDerWaalsContact N-NE2 3.16Å; V475-Q584 PolarHBondContact O-NE2 3.45Å
476D91.1Very high73.7Confident78 Ų7873.5 Ų73.542%0.41739%0.393SS..  trans-82.8106.9170.1177.78000108.3M474 N478 S479 S482M474-D476 PolarHBondContact O-N 3.02Å; M474-D476 VanDerWaalsContact O-N 3.13Å; D476-N478 PolarHBondContact O-N 3.49Å; D476-N478 WeakPolarHBondContact OD1-CB 3.49Å; D476-N478 PolarHBondContact OD1-N 3.09Å; D476-N478 PolarHBondContact OD1-ND2 2.74Å; D476-S479 PolarHBondContact O-N 3.26Å; D476-S479 VanDerWaalsContact O-N 3.11Å; D476-S482 PolarHBondContact N-OG 3.4Å; D476-S482 WeakPolarHBondContact O-CB 3.15Å
477I91.6Very high76.7Confident13 Ų1366.1 Ų66.17%0.06736%0.359CS..THydrogen-bonded Turntrans-66-7.6-178.864.1171.2000113.5V475 L564 M580 Q587 V588 R591V475-I477 PolarHBondContact O-N 3.18Å; I477-L564 HydrophobicContact CB-CD2 3.98Å; I477-L564 HydrophobicContact CG2-CD2 4.36Å; I477-M580 HydrophobicContact CG2-CE 4.04Å; I477-Q587 HydrophobicContact CD1-CB 3.74Å; I477-V588 HydrophobicContact CG2-CG2 4.28Å; I477-R591 HydrophobicContact CD1-CB 4.07Å; I477-R591 HydrophobicContact CD1-CG 4.35Å
478N92.4Very high79.1Confident75 Ų7558.1 Ų58.140%0.40132%0.321SS..THydrogen-bonded Turntrans-100.6-5.9177-58.6-65.8000113.7D476 R591D476-N478 PolarHBondContact O-N 3.49Å; D476-N478 WeakPolarHBondContact OD1-CB 3.49Å; D476-N478 PolarHBondContact OD1-N 3.09Å; D476-N478 PolarHBondContact OD1-ND2 2.74Å; N478-R591 PolarHBondContact OD1-NE 3.46Å
479S95.2Very high81.9Confident23 Ų2353.4 Ų53.416%0.16129%0.291CS..  trans-104.1118.2178.81640000110.9D476 E481 S482 L483D476-S479 PolarHBondContact O-N 3.26Å; D476-S479 VanDerWaalsContact O-N 3.11Å; S479-E481 PolarHBondContact O-N 2.88Å; S479-E481 PolarHBondContact OG-N 3.37Å; S479-E481 PolarHBondContact OG-OE2 3.17Å; S479-S482 PolarHBondContact O-N 2.67Å; S479-S482 PolarHBondContact OG-N 2.94Å; S479-S482 VanDerWaalsContact OG-N 3.08Å; S479-L483 WeakPolarHBondContact O-CG 3.24Å; S479-L483 PolarHBondContact O-N 3.15Å
480P95.3Very high84.6Confident0 Ų049.9 Ų49.90%026%0.261CS..Hα-helixtrans-54.7-35.6171.5-26.335.5000113T484 S540 L543 R556 L560P480-T484 WeakPolarHBondContact O-CB 3.34Å; P480-T484 PolarHBondContact O-N 3.32Å; P480-T484 PolarHBondContact O-OG1 2.86Å; P480-S540 PolarHBondContact O-OG 3.26Å; P480-L543 HydrophobicContact CB-CD1 4.34Å; P480-L543 HydrophobicContact CG-CD1 4.06Å; P480-R556 HydrophobicContact CG-CG 4.49Å; P480-L560 HydrophobicContact CG-CD2 4.04Å
481E94.4Very high87.2Confident94 Ų9443.3 Ų43.344%0.43922%0.221SC..Hα-helixtrans-65.8-46.9177.7-5774.1-161.100111.1S479 T484 E485S479-E481 PolarHBondContact O-N 2.88Å; S479-E481 PolarHBondContact OG-N 3.37Å; S479-E481 PolarHBondContact OG-OE2 3.17Å; E481-T484 WeakPolarHBondContact O-CB 3.49Å; E481-T484 PolarHBondContact O-N 3.45Å; E481-E485 PolarHBondContact O-N 3.13Å
482S94.9Very high89.4Confident21 Ų2136.7 Ų36.715%0.14720%0.198CC..Hα-helixtrans-64.5-41.6177.6-164.20000112.1V475 D476 S479 T484 E485 A486V475-S482 WeakPolarHBondContact CA-OG 3.45Å; D476-S482 PolarHBondContact N-OG 3.4Å; D476-S482 WeakPolarHBondContact O-CB 3.15Å; S479-S482 PolarHBondContact O-N 2.67Å; S479-S482 PolarHBondContact OG-N 2.94Å; S479-S482 VanDerWaalsContact OG-N 3.08Å; S482-T484 VanDerWaalsContact C-N 3.34Å; S482-T484 PolarHBondContact O-N 3.46Å; S482-E485 PolarHBondContact O-N 2.72Å; S482-A486 PolarHBondContact O-N 2.87Å
483L97.1Very high91.5Very high0 Ų037.3 Ų37.30%019%0.19CC..Hα-helixtrans-63-40.9173.2-66.7178.2000111.5V475 S479 E485 A486 Y487 L560 L564 I567V475-L483 HydrophobicContact CG1-CD2 4.21Å; S479-L483 WeakPolarHBondContact O-CG 3.24Å; S479-L483 PolarHBondContact O-N 3.15Å; L483-E485 VanDerWaalsContact C-N 3.3Å; L483-E485 PolarHBondContact O-N 3.36Å; L483-A486 WeakPolarHBondContact O-CB 3.41Å; L483-A486 PolarHBondContact O-N 2.89Å; L483-A486 VanDerWaalsContact O-N 3.13Å; L483-Y487 WeakPolarHBondContact O-CD2 3.49Å; L483-Y487 PolarHBondContact O-N 2.99Å; L483-L560 HydrophobicContact CD1-CD2 3.7Å; L483-L564 HydrophobicContact CD1-CD2 4.1Å; L483-L564 HydrophobicContact CD1-CG 4.04Å; L483-L564 HydrophobicContact CD2-CD2 3.88Å; L483-I567 HydrophobicContact CD2-CD1 3.66Å
484T97.3Very high93.4Very high19 Ų1935 Ų3512%0.11718%0.176CC..Hα-helixtrans-59.4-41.8176.4-58.80000111.3P480 E481 S482 Y487 K488 Y533 K537 S540P480-T484 WeakPolarHBondContact O-CB 3.34Å; P480-T484 PolarHBondContact O-N 3.32Å; P480-T484 PolarHBondContact O-OG1 2.86Å; E481-T484 WeakPolarHBondContact O-CB 3.49Å; E481-T484 PolarHBondContact O-N 3.45Å; S482-T484 VanDerWaalsContact C-N 3.34Å; S482-T484 PolarHBondContact O-N 3.46Å; T484-Y487 PolarHBondContact O-N 3.03Å; T484-K488 WeakPolarHBondContact O-CB 3.24Å; T484-K488 PolarHBondContact O-N 2.99Å; T484-Y533 HydrophobicContact CG2-CE2 4.21Å; T484-K537 HydrophobicContact CG2-CB 3.9Å; T484-K537 HydrophobicContact CG2-CG 4.32Å; T484-S540 PolarHBondContact OG1-OG 3.43Å
485E95.3Very high94.8Very high57 Ų5726.8 Ų26.827%0.26614%0.135SC..Hα-helixtrans-64.2-41.5174.8-16962.3-157.100111.6E481 S482 L483 Y487 K488 L489E481-E485 PolarHBondContact O-N 3.13Å; S482-E485 PolarHBondContact O-N 2.72Å; L483-E485 VanDerWaalsContact C-N 3.3Å; L483-E485 PolarHBondContact O-N 3.36Å; E485-Y487 VanDerWaalsContact C-N 3.3Å; E485-Y487 PolarHBondContact O-N 3.05Å; E485-K488 WeakPolarHBondContact O-CB 3.39Å; E485-K488 PolarHBondContact O-N 2.94Å; E485-K488 IonicContact OE1-NZ 3.53Å; E485-K488 PolarHBondContact OE1-NZ 3.48Å; E485-K488 WeakPolarHBondContact OE2-CD 3.19Å; E485-K488 IonicContact OE2-NZ 3.99Å; E485-L489 HydrophobicContact CG-CD1 4.24Å; E485-L489 HydrophobicContact CG-CG 4.46Å; E485-L489 VanDerWaalsContact O-CG 3.29Å; E485-L489 WeakPolarHBondContact O-CG 3.48Å; E485-L489 PolarHBondContact O-N 3.3Å
486A96.1Very high95.6Very high2 Ų227 Ų272%0.01714%0.136CC..Hα-helixtrans-58.8-41.6175.600000112.2V475 S482 L483 L489 R490 F574 I579V475-A486 HydrophobicContact CG1-CB 4.19Å; V475-A486 HydrophobicContact CG2-CB 4.16Å; S482-A486 PolarHBondContact O-N 2.87Å; L483-A486 WeakPolarHBondContact O-CB 3.41Å; L483-A486 PolarHBondContact O-N 2.89Å; L483-A486 VanDerWaalsContact O-N 3.13Å; A486-L489 PolarHBondContact O-N 2.93Å; A486-R490 WeakPolarHBondContact O-CB 3.49Å; A486-R490 PolarHBondContact O-N 3.33Å; A486-F574 HydrophobicContact CB-CE1 4.32Å; A486-I579 HydrophobicContact CB-CG2 3.96Å
487Y98Very high95.8Very high0 Ų024.7 Ų24.70%012%0.123CC..Hα-helixtrans-67.8-39.4175.1-87.5-87.7000113.1L483 T484 E485 L489 R490 A491 H532 V536 S563 G566 I567 F574L483-Y487 WeakPolarHBondContact O-CD2 3.49Å; L483-Y487 PolarHBondContact O-N 2.99Å; T484-Y487 PolarHBondContact O-N 3.03Å; E485-Y487 VanDerWaalsContact C-N 3.3Å; E485-Y487 PolarHBondContact O-N 3.05Å; Y487-L489 VanDerWaalsContact C-N 3.35Å; Y487-R490 PolarHBondContact O-N 3.46Å; Y487-A491 WeakPolarHBondContact O-CB 3.31Å; Y487-A491 PolarHBondContact O-N 3.47Å; Y487-H532 HydrophobicContact CE1-CB 4.46Å; Y487-H532 AromaticContact CE1-CD2 3.55Å; Y487-H532 AromaticContact CE1-CE1 3.67Å; Y487-H532 AromaticContact CE1-CG 3.65Å; Y487-H532 AromaticContact CE1-ND1 3.73Å; Y487-H532 AromaticContact CE1-NE2 3.57Å; Y487-H532 AromaticContact CZ-NE2 3.88Å; Y487-V536 HydrophobicContact CD1-CG2 4.07Å; Y487-V536 HydrophobicContact CD2-CB 4.34Å; Y487-V536 HydrophobicContact CD2-CG1 4.03Å; Y487-V536 HydrophobicContact CD2-CG2 3.88Å; Y487-V536 HydrophobicContact CE1-CG2 4.09Å; Y487-V536 HydrophobicContact CE2-CG2 3.91Å; Y487-V536 HydrophobicContact CG-CB 4.34Å; Y487-V536 HydrophobicContact CG-CG1 4.41Å; Y487-V536 HydrophobicContact CG-CG2 3.96Å; Y487-S563 WeakPolarHBondContact CE2-O 3.28Å; Y487-S563 PolarHBondContact OH-O 3.4Å; Y487-G566 WeakPolarHBondContact OH-CA 3.44Å; Y487-I567 HydrophobicContact CE2-CD1 3.95Å; Y487-I567 HydrophobicContact CE2-CG1 3.73Å; Y487-I567 PolarHBondContact OH-N 2.93Å; Y487-F574 HydrophobicContact CD1-CZ 4.19Å; Y487-F574 HydrophobicContact CD2-CZ 4.47Å; Y487-F574 AromaticContact CE1-CZ 3.96Å; Y487-F574 HydrophobicContact CE1-CZ 3.96Å; Y487-F574 HydrophobicContact CE2-CZ 4.27Å; Y487-F574 HydrophobicContact CG-CZ 4.43Å
488K97.1Very high96.1Very high32 Ų3224.1 Ų24.114%0.13912%0.12CC..Hα-helixtrans-57.6-48.5173.8-179.1-167.4159.6-153.50110.6Y454 D457 T484 E485 A491 A492 Y533Y454-K488 VanDerWaalsContact CB-CG 3.42Å; Y454-K488 HydrophobicContact CD1-CG 4.41Å; Y454-K488 HydrophobicContact CG-CG 3.99Å; D457-K488 VanDerWaalsContact OD2-CE 3.31Å; D457-K488 WeakPolarHBondContact OD2-CE 3.35Å; D457-K488 IonicContact OD2-NZ 3.98Å; D457-K488 PolarHBondContact OD2-NZ 2.95Å; T484-K488 WeakPolarHBondContact O-CB 3.24Å; T484-K488 PolarHBondContact O-N 2.99Å; E485-K488 WeakPolarHBondContact O-CB 3.39Å; E485-K488 PolarHBondContact O-N 2.94Å; E485-K488 IonicContact OE1-NZ 3.53Å; E485-K488 PolarHBondContact OE1-NZ 3.48Å; E485-K488 WeakPolarHBondContact OE2-CD 3.19Å; E485-K488 IonicContact OE2-NZ 3.99Å; K488-A491 PolarHBondContact O-N 3.01Å; K488-A492 PolarHBondContact O-N 3Å; K488-Y533 HydrophobicContact CB-CD2 3.8Å; K488-Y533 HydrophobicContact CB-CE2 3.57Å; K488-Y533 HydrophobicContact CG-CE2 4.05Å
489L95.5Very high96.3Very high27 Ų2720.7 Ų20.714%0.14110%0.102CC..Hα-helixtrans-65.1-40.1178.9-63.7170.5000112W471 E485 A486 Y487 A491 A492 R493 I579W471-L489 HydrophobicContact CE3-CD1 3.9Å; W471-L489 HydrophobicContact CE3-CD2 4.11Å; W471-L489 HydrophobicContact CH2-CD2 3.83Å; W471-L489 HydrophobicContact CZ3-CD1 3.63Å; W471-L489 HydrophobicContact CZ3-CD2 3.34Å; W471-L489 HydrophobicContact CZ3-CG 4.11Å; E485-L489 HydrophobicContact CG-CD1 4.24Å; E485-L489 HydrophobicContact CG-CG 4.46Å; E485-L489 VanDerWaalsContact O-CG 3.29Å; E485-L489 WeakPolarHBondContact O-CG 3.48Å; E485-L489 PolarHBondContact O-N 3.3Å; A486-L489 PolarHBondContact O-N 2.93Å; Y487-L489 VanDerWaalsContact C-N 3.35Å; L489-A491 VanDerWaalsContact C-N 3.35Å; L489-A491 PolarHBondContact O-N 3.2Å; L489-A492 PolarHBondContact O-N 3.38Å; L489-R493 WeakPolarHBondContact O-CB 3.26Å; L489-R493 PolarHBondContact O-N 3.29Å; L489-I579 HydrophobicContact CB-CD1 3.9Å; L489-I579 HydrophobicContact CB-CG1 3.92Å; L489-I579 HydrophobicContact CB-CG2 4.21Å; L489-I579 HydrophobicContact CD1-CG2 4.16Å
490R96.6Very high96.3Very high4 Ų424.1 Ų24.12%0.01511%0.114CC..Hα-helixtrans-59.3-46.6174.3-175.8-145.4171.8-154.40.8110.8A486 Y487 R493 L494 N570 D573 F574 I579A486-R490 WeakPolarHBondContact O-CB 3.49Å; A486-R490 PolarHBondContact O-N 3.33Å; Y487-R490 PolarHBondContact O-N 3.46Å; R490-R493 PolarHBondContact O-N 3.03Å; R490-L494 HydrophobicContact CG-CD1 4.13Å; R490-L494 PolarHBondContact O-N 2.89Å; R490-N570 PolarHBondContact NH2-OD1 3.38Å; R490-D573 HydrophobicContact CG-CB 3.93Å; R490-D573 IonicContact CZ-OD2 3.51Å; R490-D573 VanDerWaalsContact CZ-OD2 3.25Å; R490-D573 IonicContact NE-OD2 3.47Å; R490-D573 PolarHBondContact NE-OD2 3.34Å; R490-D573 IonicContact NH2-OD2 2.85Å; R490-D573 PolarHBondContact NH2-OD2 2.81Å; R490-F574 HydrophobicContact CB-CD1 4.28Å; R490-F574 HydrophobicContact CB-CE1 3.92Å; R490-F574 HydrophobicContact CB-CZ 4.27Å; R490-F574 HydrophobicContact CG-CE1 4.28Å; R490-F574 HydrophobicContact CG-CE2 4.45Å; R490-F574 HydrophobicContact CG-CZ 4.22Å; R490-I579 VanDerWaalsContact CA-CD1 3.47Å; R490-I579 HydrophobicContact CB-CD1 3.95Å; R490-I579 VanDerWaalsContact N-CD1 3.31Å
491A97.9Very high96.4Very high0 Ų026.7 Ų26.70%013%0.128CC..Hα-helixtrans-62.6-45.1177.700000111.7Y454 Y487 K488 L489 R493 L494 V495 A529Y454-A491 HydrophobicContact CE2-CB 4.25Å; Y487-A491 WeakPolarHBondContact O-CB 3.31Å; Y487-A491 PolarHBondContact O-N 3.47Å; K488-A491 PolarHBondContact O-N 3.01Å; L489-A491 VanDerWaalsContact C-N 3.35Å; L489-A491 PolarHBondContact O-N 3.2Å; A491-R493 VanDerWaalsContact C-N 3.35Å; A491-R493 PolarHBondContact O-N 3.3Å; A491-L494 PolarHBondContact O-N 3.11Å; A491-V495 WeakPolarHBondContact O-CB 3.47Å; A491-V495 VanDerWaalsContact O-CG2 3.24Å; A491-V495 WeakPolarHBondContact O-CG2 3.44Å; A491-V495 PolarHBondContact O-N 2.9Å; A491-A529 HydrophobicContact CB-CB 4.5Å
492A95.9Very high96.5Very high9 Ų923.7 Ų23.77%0.07412%0.115CC..Hα-helixtrans-57.5-47.5175.700000111.8Y454 L458 K488 L489 V495 E496Y454-A492 HydrophobicContact CD2-CB 3.71Å; Y454-A492 HydrophobicContact CE2-CB 4.01Å; L458-A492 HydrophobicContact CD2-CB 4.07Å; K488-A492 PolarHBondContact O-N 3Å; L489-A492 PolarHBondContact O-N 3.38Å; A492-V495 PolarHBondContact O-N 3.03Å; A492-E496 WeakPolarHBondContact O-CB 3.47Å; A492-E496 PolarHBondContact O-N 3.35Å
493R95.2Very high96.4Very high92 Ų9226.1 Ų26.135%0.34712%0.124SC..Hα-helixtrans-65-43.6-178.6-176.554.9171.3-172.8-6.8112.8L489 R490 A491 E496 I497L489-R493 WeakPolarHBondContact O-CB 3.26Å; L489-R493 PolarHBondContact O-N 3.29Å; R490-R493 PolarHBondContact O-N 3.03Å; A491-R493 VanDerWaalsContact C-N 3.35Å; A491-R493 PolarHBondContact O-N 3.3Å; R493-E496 IonicContact CZ-OE2 3.41Å; R493-E496 IonicContact NE-OE2 3.54Å; R493-E496 IonicContact NH1-OE2 3.33Å; R493-E496 PolarHBondContact NH1-OE2 2.91Å; R493-E496 WeakPolarHBondContact O-CB 3.43Å; R493-E496 PolarHBondContact O-N 3.23Å; R493-I497 HydrophobicContact CG-CD1 4.03Å; R493-I497 VanDerWaalsContact O-CG1 3.31Å; R493-I497 WeakPolarHBondContact O-CG1 3.4Å; R493-I497 PolarHBondContact O-N 2.96Å
494L97.3Very high96.3Very high7 Ų731.7 Ų31.74%0.03715%0.148CC..Hα-helixtrans-70.6-34179.5-72.1173.5000112.4R490 A491 I497 A498 A526 A529 D573R490-L494 HydrophobicContact CG-CD1 4.13Å; R490-L494 PolarHBondContact O-N 2.89Å; A491-L494 PolarHBondContact O-N 3.11Å; L494-I497 HydrophobicContact CD2-CD1 4.25Å; L494-I497 PolarHBondContact O-N 3.23Å; L494-A498 WeakPolarHBondContact O-CB 3.19Å; L494-A498 PolarHBondContact O-N 2.69Å; L494-A526 HydrophobicContact CB-CB 4.44Å; L494-A529 HydrophobicContact CB-CB 4.31Å; L494-A529 HydrophobicContact CD1-CB 3.44Å; L494-A529 VanDerWaalsContact CD1-CB 3.44Å; L494-A529 HydrophobicContact CG-CB 4.48Å; L494-D573 HydrophobicContact CD1-CB 4.33Å
495V97.8Very high96.2Very high0 Ų032.7 Ų32.70%015%0.151CC..Hα-helixtrans-62.2-45.5169.51720000110.7L435 M436 Y439 L455 A491 A492 I497 A498 A499 A526L435-V495 HydrophobicContact CB-CG1 4.48Å; L435-V495 HydrophobicContact CB-CG2 4.35Å; L435-V495 HydrophobicContact CD1-CG2 4.04Å; M436-V495 HydrophobicContact CE-CG1 3.78Å; Y439-V495 HydrophobicContact CD2-CG1 4.15Å; L455-V495 HydrophobicContact CD1-CG1 4.36Å; L455-V495 HydrophobicContact CD2-CB 4.14Å; L455-V495 HydrophobicContact CD2-CG1 3.78Å; A491-V495 WeakPolarHBondContact O-CB 3.47Å; A491-V495 VanDerWaalsContact O-CG2 3.24Å; A491-V495 WeakPolarHBondContact O-CG2 3.44Å; A491-V495 PolarHBondContact O-N 2.9Å; A492-V495 PolarHBondContact O-N 3.03Å; V495-I497 PolarHBondContact O-N 2.92Å; V495-A498 PolarHBondContact O-N 2.63Å; V495-A499 WeakPolarHBondContact O-CB 3.27Å; V495-A499 PolarHBondContact O-N 3.5Å; V495-A526 HydrophobicContact CG2-CB 4.09Å
496E95.9Very high96.1Very high15 Ų1532.8 Ų32.87%0.0716%0.156CC..Hα-helixtrans-61-43.7177.1-172.9-166.5-160.300112.1Y439 L458 A492 R493 A499 K500Y439-E496 HydrophobicContact CE2-CB 4.31Å; Y439-E496 HydrophobicContact CE2-CG 4.25Å; L458-E496 HydrophobicContact CD2-CB 4.3Å; A492-E496 WeakPolarHBondContact O-CB 3.47Å; A492-E496 PolarHBondContact O-N 3.35Å; R493-E496 IonicContact CZ-OE2 3.41Å; R493-E496 IonicContact NE-OE2 3.54Å; R493-E496 IonicContact NH1-OE2 3.33Å; R493-E496 PolarHBondContact NH1-OE2 2.91Å; R493-E496 WeakPolarHBondContact O-CB 3.43Å; R493-E496 PolarHBondContact O-N 3.23Å; E496-A499 PolarHBondContact O-N 2.86Å; E496-K500 VanDerWaalsContact CD-NZ 3.25Å; E496-K500 HydrophobicContact CG-CD 4.17Å; E496-K500 WeakPolarHBondContact O-CB 3.49Å; E496-K500 WeakPolarHBondContact O-CG 3.39Å; E496-K500 PolarHBondContact O-N 3.44Å; E496-K500 VanDerWaalsContact OE1-CE 3.27Å; E496-K500 WeakPolarHBondContact OE1-CE 3.49Å; E496-K500 IonicContact OE1-NZ 3.79Å; E496-K500 PolarHBondContact OE1-NZ 3.24Å; E496-K500 IonicContact OE2-NZ 3.23Å
497I95.7Very high95.9Very high29 Ų2939 Ų3915%0.14919%0.187CC..Hα-helixtrans-60.8-49.3176.8-71.4165.1000110.6R493 L494 V495 A499 K500 N501R493-I497 HydrophobicContact CG-CD1 4.03Å; R493-I497 VanDerWaalsContact O-CG1 3.31Å; R493-I497 WeakPolarHBondContact O-CG1 3.4Å; R493-I497 PolarHBondContact O-N 2.96Å; L494-I497 HydrophobicContact CD2-CD1 4.25Å; L494-I497 PolarHBondContact O-N 3.23Å; V495-I497 PolarHBondContact O-N 2.92Å; I497-A499 VanDerWaalsContact C-N 3.32Å; I497-A499 PolarHBondContact O-N 3.22Å; I497-K500 PolarHBondContact O-N 3.38Å; I497-N501 WeakPolarHBondContact O-CB 3.36Å; I497-N501 PolarHBondContact O-N 3.17Å
498A97.4Very high95.6Very high0 Ų044.4 Ų44.40%021%0.212CC..Hα-helixtrans-61-42178.900000111.8M436 L494 V495 N501 L502 D522 L523 A526M436-A498 HydrophobicContact CE-CB 4.16Å; L494-A498 WeakPolarHBondContact O-CB 3.19Å; L494-A498 PolarHBondContact O-N 2.69Å; V495-A498 PolarHBondContact O-N 2.63Å; A498-N501 PolarHBondContact O-N 2.98Å; A498-L502 VanDerWaalsContact O-CB 3.3Å; A498-L502 WeakPolarHBondContact O-CB 3.42Å; A498-L502 PolarHBondContact O-N 3.43Å; A498-D522 HydrophobicContact CB-CB 4.01Å; A498-L523 HydrophobicContact CB-CD2 4.17Å; A498-A526 HydrophobicContact CB-CB 4.03Å
499A96.6Very high95Very high3 Ų354.3 Ų54.33%0.02525%0.249CC..Hα-helixtrans-64-45.6177.300000112.1M436 Y439 V495 E496 I497 L502 Q503M436-A499 HydrophobicContact CE-CB 4.19Å; M436-A499 HydrophobicContact SD-CB 3.78Å; Y439-A499 HydrophobicContact CD1-CB 3.61Å; Y439-A499 HydrophobicContact CD2-CB 4.12Å; Y439-A499 HydrophobicContact CE1-CB 3.54Å; Y439-A499 HydrophobicContact CE2-CB 4.03Å; Y439-A499 HydrophobicContact CG-CB 3.91Å; V495-A499 WeakPolarHBondContact O-CB 3.27Å; V495-A499 PolarHBondContact O-N 3.5Å; E496-A499 PolarHBondContact O-N 2.86Å; I497-A499 VanDerWaalsContact C-N 3.32Å; I497-A499 PolarHBondContact O-N 3.22Å; A499-L502 PolarHBondContact O-N 2.74Å; A499-Q503 WeakPolarHBondContact O-CB 3.44Å; A499-Q503 VanDerWaalsContact O-CG 3.3Å; A499-Q503 WeakPolarHBondContact O-CG 3.5Å; A499-Q503 PolarHBondContact O-N 3.01Å
500K95.3Very high94.7Very high96 Ų9657 Ų5742%0.41726%0.259SS..Hα-helixtrans-64.2-42.5177.4-75177.8-177.8171.20112.1E496 I497 L502 Q503 K504E496-K500 VanDerWaalsContact CD-NZ 3.25Å; E496-K500 HydrophobicContact CG-CD 4.17Å; E496-K500 WeakPolarHBondContact O-CB 3.49Å; E496-K500 WeakPolarHBondContact O-CG 3.39Å; E496-K500 PolarHBondContact O-N 3.44Å; E496-K500 VanDerWaalsContact OE1-CE 3.27Å; E496-K500 WeakPolarHBondContact OE1-CE 3.49Å; E496-K500 IonicContact OE1-NZ 3.79Å; E496-K500 PolarHBondContact OE1-NZ 3.24Å; E496-K500 IonicContact OE2-NZ 3.23Å; I497-K500 PolarHBondContact O-N 3.38Å; K500-L502 VanDerWaalsContact C-N 3.34Å; K500-Q503 PolarHBondContact O-N 3.32Å; K500-K504 WeakPolarHBondContact O-CB 3.27Å; K500-K504 PolarHBondContact O-N 2.67Å
501N96.4Very high94.7Very high54 Ų5459.5 Ų59.529%0.28928%0.278SS..Hα-helixtrans-62.5-43.6175.3-73.5-5000110.8I497 A498 Q503 K504 E505 T519 D522I497-N501 WeakPolarHBondContact O-CB 3.36Å; I497-N501 PolarHBondContact O-N 3.17Å; A498-N501 PolarHBondContact O-N 2.98Å; N501-Q503 PolarHBondContact O-N 2.92Å; N501-K504 WeakPolarHBondContact O-CB 3.39Å; N501-K504 PolarHBondContact O-N 3.33Å; N501-E505 PolarHBondContact O-N 3.02Å; N501-E505 VanDerWaalsContact O-N 3.1Å; N501-T519 HydrophobicContact CB-CG2 4.02Å; N501-D522 PolarHBondContact ND2-OD2 3.43Å
502L96.4Very high94.4Very high30 Ų3067.1 Ų67.116%0.15731%0.311CS..Hα-helixtrans-61.6-45.8177.2179.162.2000111.5M436 A498 A499 K500 K504 E505 V506 A515 W516 T519M436-L502 HydrophobicContact CG-CD2 4.22Å; M436-L502 HydrophobicContact SD-CD2 4.29Å; A498-L502 VanDerWaalsContact O-CB 3.3Å; A498-L502 WeakPolarHBondContact O-CB 3.42Å; A498-L502 PolarHBondContact O-N 3.43Å; A499-L502 PolarHBondContact O-N 2.74Å; K500-L502 VanDerWaalsContact C-N 3.34Å; L502-K504 VanDerWaalsContact C-N 3.34Å; L502-K504 PolarHBondContact O-N 3.36Å; L502-E505 PolarHBondContact O-N 2.94Å; L502-V506 WeakPolarHBondContact O-CG2 3.32Å; L502-V506 PolarHBondContact O-N 3.32Å; L502-V506 VanDerWaalsContact O-N 3.14Å; L502-A515 HydrophobicContact CD1-CB 3.94Å; L502-W516 HydrophobicContact CD2-CE3 4.18Å; L502-W516 HydrophobicContact CD2-CZ3 4.33Å; L502-T519 HydrophobicContact CB-CG2 4.48Å
503Q94.3Very high94.4Very high73 Ų7373.1 Ų73.134%0.34134%0.337SS..Hα-helixtrans-62.4-40.9176.3-72.7176.71.500111.9A499 K500 N501 E505 V506 I507A499-Q503 WeakPolarHBondContact O-CB 3.44Å; A499-Q503 VanDerWaalsContact O-CG 3.3Å; A499-Q503 WeakPolarHBondContact O-CG 3.5Å; A499-Q503 PolarHBondContact O-N 3.01Å; K500-Q503 PolarHBondContact O-N 3.32Å; N501-Q503 PolarHBondContact O-N 2.92Å; Q503-E505 VanDerWaalsContact C-N 3.34Å; Q503-E505 PolarHBondContact O-N 2.74Å; Q503-V506 PolarHBondContact O-N 3.41Å; Q503-I507 VanDerWaalsContact O-CG1 3.27Å; Q503-I507 WeakPolarHBondContact O-CG1 3.46Å; Q503-I507 PolarHBondContact O-N 3.26Å
504K95.3Very high94.4Very high117 Ų11772.1 Ų72.151%0.50934%0.341SS..Hα-helixtrans-57.6-45.4176-176.9-177.9177.9-174.30111.4K500 N501 L502 I507 H508K500-K504 WeakPolarHBondContact O-CB 3.27Å; K500-K504 PolarHBondContact O-N 2.67Å; N501-K504 WeakPolarHBondContact O-CB 3.39Å; N501-K504 PolarHBondContact O-N 3.33Å; L502-K504 VanDerWaalsContact C-N 3.34Å; L502-K504 PolarHBondContact O-N 3.36Å; K504-I507 PolarHBondContact O-N 2.81Å; K504-H508 PolarHBondContact O-N 3.26Å; K504-H508 VanDerWaalsContact O-N 3.13Å; K504-H508 PolarHBondContact O-ND1 2.87Å
505E95.5Very high94.4Very high39 Ų3971.8 Ų71.818%0.18234%0.339CS..Hα-helixtrans-65.6-37.9178.1-66.5-54.9128.900112.5N501 L502 Q503 H508 K510 A515 L518 T519N501-E505 PolarHBondContact O-N 3.02Å; N501-E505 VanDerWaalsContact O-N 3.1Å; L502-E505 PolarHBondContact O-N 2.94Å; Q503-E505 VanDerWaalsContact C-N 3.34Å; Q503-E505 PolarHBondContact O-N 2.74Å; E505-H508 PolarHBondContact O-N 3.42Å; E505-K510 WeakPolarHBondContact O-CB 3.46Å; E505-K510 PolarHBondContact O-N 3Å; E505-K510 VanDerWaalsContact OE2-CD 3.3Å; E505-K510 WeakPolarHBondContact OE2-CD 3.44Å; E505-K510 VanDerWaalsContact OE2-CE 3.31Å; E505-K510 WeakPolarHBondContact OE2-CE 3.17Å; E505-K510 IonicContact OE2-NZ 2.94Å; E505-K510 PolarHBondContact OE2-NZ 2.68Å; E505-A515 HydrophobicContact CB-CB 3.65Å; E505-L518 HydrophobicContact CG-CB 4.48Å; E505-T519 HydrophobicContact CG-CG2 3.93Å
506V91.8Very high94.4Very high60 Ų6073.8 Ų73.836%0.36435%0.347SS..Hα-helixtrans-65.5-40.5174.8173.60000111.5L502 Q503 H508 R509 A515L502-V506 WeakPolarHBondContact O-CG2 3.32Å; L502-V506 PolarHBondContact O-N 3.32Å; L502-V506 VanDerWaalsContact O-N 3.14Å; Q503-V506 PolarHBondContact O-N 3.41Å; V506-H508 VanDerWaalsContact C-N 3.27Å; V506-H508 PolarHBondContact O-N 3.14Å; V506-R509 PolarHBondContact O-N 2.8Å; V506-R509 VanDerWaalsContact O-N 3.09Å; V506-A515 HydrophobicContact CG2-CB 3.74Å
507I93.3Very high94.5Very high132 Ų13278.3 Ų78.368%0.67737%0.371SS*.Hα-helixtrans-63-34.2176.5-70.2164.3000111.2Q503 K504 R509Q503-I507 VanDerWaalsContact O-CG1 3.27Å; Q503-I507 WeakPolarHBondContact O-CG1 3.46Å; Q503-I507 PolarHBondContact O-N 3.26Å; K504-I507 PolarHBondContact O-N 2.81Å; I507-R509 PolarHBondContact O-N 3.33Å
508H91.3Very high94.5Very high113 Ų11381.1 Ų81.152%0.52339%0.387SS..THydrogen-bonded Turntrans-74.524.9172.6-67105.8000113.9K504 E505 V506 K510K504-H508 PolarHBondContact O-N 3.26Å; K504-H508 VanDerWaalsContact O-N 3.13Å; K504-H508 PolarHBondContact O-ND1 2.87Å; E505-H508 PolarHBondContact O-N 3.42Å; V506-H508 VanDerWaalsContact C-N 3.27Å; V506-H508 PolarHBondContact O-N 3.14Å; H508-K510 PolarHBondContact O-N 2.7Å; H508-K510 VanDerWaalsContact O-N 3.16Å
509R83.8Confident94.6Very high241 Ų24181.3 Ų81.391%0.90939%0.388SS*.THydrogen-bonded Turntrans59.322.2175.2-57-173.9177.1-169.9-0.2115V506 I507V506-R509 PolarHBondContact O-N 2.8Å; V506-R509 VanDerWaalsContact O-N 3.09Å; I507-R509 PolarHBondContact O-N 3.33Å
510K89.7Confident94.6Very high83 Ų8382.6 Ų82.636%0.36140%0.396SS..  trans-78.5149.1169.7-60.6-175.9-177.4170.80109.8E505 H508 V514 L518E505-K510 WeakPolarHBondContact O-CB 3.46Å; E505-K510 PolarHBondContact O-N 3Å; E505-K510 VanDerWaalsContact OE2-CD 3.3Å; E505-K510 WeakPolarHBondContact OE2-CD 3.44Å; E505-K510 VanDerWaalsContact OE2-CE 3.31Å; E505-K510 WeakPolarHBondContact OE2-CE 3.17Å; E505-K510 IonicContact OE2-NZ 2.94Å; E505-K510 PolarHBondContact OE2-NZ 2.68Å; H508-K510 PolarHBondContact O-N 2.7Å; H508-K510 VanDerWaalsContact O-N 3.16Å; K510-V514 HydrophobicContact CB-CB 4.47Å; K510-V514 HydrophobicContact CB-CG1 4.33Å; K510-V514 HydrophobicContact CD-CG1 4.21Å; K510-L518 HydrophobicContact CD-CD1 3.47Å; K510-L518 VanDerWaalsContact CD-CD1 3.47Å
511S95.3Very high94.8Very high57 Ų5783 Ų8340%0.39941%0.406SS..  trans-63.2156.7172.592.40000110.2E513 V514 A515S511-E513 VanDerWaalsContact CB-OE2 3.3Å; S511-E513 WeakPolarHBondContact CB-OE2 3.17Å; S511-E513 PolarHBondContact O-N 3.26Å; S511-E513 PolarHBondContact OG-N 2.79Å; S511-E513 PolarHBondContact OG-OE2 2.85Å; S511-V514 PolarHBondContact O-N 3.47Å; S511-V514 PolarHBondContact OG-N 2.71Å; S511-A515 WeakPolarHBondContact O-CB 3.43Å; S511-A515 PolarHBondContact O-N 2.82Å
512K93.4Very high94.9Very high159 Ų15982.2 Ų82.269%0.69140%0.402SS*.Hα-helixtrans-59-35-179.9-70.4-174.3178-176.70112W516K512-W516 VanDerWaalsContact O-CB 3.23Å; K512-W516 WeakPolarHBondContact O-CB 3.31Å; K512-W516 PolarHBondContact O-N 2.82Å
513E94.9Very high95Very high135 Ų13580.8 Ų80.863%0.63140%0.395SS*.Hα-helixtrans-69.1-43.9179.7-56.571.1-153.100111.3S511 W516 N517S511-E513 VanDerWaalsContact CB-OE2 3.3Å; S511-E513 WeakPolarHBondContact CB-OE2 3.17Å; S511-E513 PolarHBondContact O-N 3.26Å; S511-E513 PolarHBondContact OG-N 2.79Å; S511-E513 PolarHBondContact OG-OE2 2.85Å; E513-W516 PolarHBondContact O-N 2.74Å; E513-N517 PolarHBondContact O-N 3.45Å
514V96.1Very high95.2Very high71 Ų7178.4 Ų78.443%0.4339%0.385SS..Hα-helixtrans-68.2-44.2176.6175.80000110.4K510 S511 W516 N517 L518K510-V514 HydrophobicContact CB-CB 4.47Å; K510-V514 HydrophobicContact CB-CG1 4.33Å; K510-V514 HydrophobicContact CD-CG1 4.21Å; S511-V514 PolarHBondContact O-N 3.47Å; S511-V514 PolarHBondContact OG-N 2.71Å; V514-W516 VanDerWaalsContact C-N 3.33Å; V514-W516 PolarHBondContact O-N 3.25Å; V514-N517 PolarHBondContact O-N 2.85Å; V514-L518 HydrophobicContact CG1-CD1 3.92Å; V514-L518 HydrophobicContact CG1-CG 4.35Å; V514-L518 VanDerWaalsContact O-CG 3.32Å; V514-L518 WeakPolarHBondContact O-CG 3.36Å; V514-L518 PolarHBondContact O-N 2.97Å
515A96.7Very high95.4Very high0 Ų077 Ų770%038%0.377CS..Hα-helixtrans-58.2-45.6175.600000111.4L502 E505 V506 S511 N517 L518 T519L502-A515 HydrophobicContact CD1-CB 3.94Å; E505-A515 HydrophobicContact CB-CB 3.65Å; V506-A515 HydrophobicContact CG2-CB 3.74Å; S511-A515 WeakPolarHBondContact O-CB 3.43Å; S511-A515 PolarHBondContact O-N 2.82Å; A515-N517 VanDerWaalsContact C-N 3.34Å; A515-N517 PolarHBondContact O-N 2.73Å; A515-L518 PolarHBondContact O-N 2.88Å; A515-T519 PolarHBondContact O-N 3.33Å; A515-T519 VanDerWaalsContact O-N 3.1Å; A515-T519 PolarHBondContact O-OG1 3.43Å; A515-T519 VanDerWaalsContact O-OG1 3.05Å
516W97.2Very high95.5Very high43 Ų4375.2 Ų75.216%0.16337%0.369CS..Hα-helixtrans-58.3-43.3175-178.1-84.7000112.6L429 A432 R433 M436 L502 K512 E513 V514 T519 S520 L523L429-W516 HydrophobicContact CB-CZ2 4.49Å; L429-W516 HydrophobicContact CD2-CZ2 4.23Å; L429-W516 WeakPolarHBondContact O-CZ2 3.48Å; A432-W516 HydrophobicContact CB-CH2 3.92Å; A432-W516 HydrophobicContact CB-CZ2 4.18Å; R433-W516 HydrophobicContact CB-CH2 4.05Å; R433-W516 HydrophobicContact CG-CH2 3.26Å; R433-W516 HydrophobicContact CG-CZ2 3.41Å; R433-W516 VanDerWaalsContact CG-CZ2 3.41Å; R433-W516 HydrophobicContact CG-CZ3 3.95Å; M436-W516 HydrophobicContact CG-CH2 4.42Å; M436-W516 HydrophobicContact CG-CZ3 4Å; L502-W516 HydrophobicContact CD2-CE3 4.18Å; L502-W516 HydrophobicContact CD2-CZ3 4.33Å; K512-W516 VanDerWaalsContact O-CB 3.23Å; K512-W516 WeakPolarHBondContact O-CB 3.31Å; K512-W516 PolarHBondContact O-N 2.82Å; E513-W516 PolarHBondContact O-N 2.74Å; V514-W516 VanDerWaalsContact C-N 3.33Å; V514-W516 PolarHBondContact O-N 3.25Å; W516-T519 PolarHBondContact O-N 3.39Å; W516-S520 PolarHBondContact O-N 2.9Å; W516-S520 VanDerWaalsContact O-N 3.08Å; W516-L523 HydrophobicContact CD2-CD1 3.67Å; W516-L523 HydrophobicContact CE3-CD1 3.71Å; W516-L523 HydrophobicContact CG-CD1 4.31Å; W516-L523 HydrophobicContact CH2-CD1 3.73Å; W516-L523 HydrophobicContact CH2-CD2 3.95Å; W516-L523 HydrophobicContact CH2-CG 4.38Å; W516-L523 HydrophobicContact CZ2-CD1 3.73Å; W516-L523 HydrophobicContact CZ3-CD1 3.76Å; W516-L523 HydrophobicContact CZ3-CD2 4Å
517N97.4Very high95.8Very high109 Ų10972.4 Ų72.458%0.58335%0.351SS*.Hα-helixtrans-64.5-43.8178.1-174.354.7000111.7E513 V514 A515 T519 S520E513-N517 PolarHBondContact O-N 3.45Å; V514-N517 PolarHBondContact O-N 2.85Å; A515-N517 VanDerWaalsContact C-N 3.34Å; A515-N517 PolarHBondContact O-N 2.73Å; N517-T519 PolarHBondContact O-N 2.88Å; N517-S520 VanDerWaalsContact O-CB 3.3Å; N517-S520 WeakPolarHBondContact O-CB 3.16Å; N517-S520 PolarHBondContact O-N 2.79Å; N517-S520 PolarHBondContact O-OG 3.08Å
518L97.4Very high96.1Very high89 Ų8969.2 Ų69.247%0.46633%0.334SS..Hα-helixtrans-68.1-22.4-179.2-69.7173.6000113.7E505 K510 V514 A515E505-L518 HydrophobicContact CG-CB 4.48Å; K510-L518 HydrophobicContact CD-CD1 3.47Å; K510-L518 VanDerWaalsContact CD-CD1 3.47Å; V514-L518 HydrophobicContact CG1-CD1 3.92Å; V514-L518 HydrophobicContact CG1-CG 4.35Å; V514-L518 VanDerWaalsContact O-CG 3.32Å; V514-L518 WeakPolarHBondContact O-CG 3.36Å; V514-L518 PolarHBondContact O-N 2.97Å; A515-L518 PolarHBondContact O-N 2.88Å
519T98Very high96.4Very high4 Ų463.8 Ų63.83%0.02531%0.309CS..THydrogen-bonded Turntrans-107.38.9176.860.80000113.4N501 L502 E505 A515 W516 N517 V521 D522 L523N501-T519 HydrophobicContact CB-CG2 4.02Å; L502-T519 HydrophobicContact CB-CG2 4.48Å; E505-T519 HydrophobicContact CG-CG2 3.93Å; A515-T519 PolarHBondContact O-N 3.33Å; A515-T519 VanDerWaalsContact O-N 3.1Å; A515-T519 PolarHBondContact O-OG1 3.43Å; A515-T519 VanDerWaalsContact O-OG1 3.05Å; W516-T519 PolarHBondContact O-N 3.39Å; N517-T519 PolarHBondContact O-N 2.88Å; T519-V521 PolarHBondContact O-N 3.38Å; T519-V521 VanDerWaalsContact O-N 3.17Å; T519-D522 PolarHBondContact O-N 3.21Å; T519-D522 VanDerWaalsContact O-N 3.09Å; T519-L523 VanDerWaalsContact O-CG 3.27Å; T519-L523 WeakPolarHBondContact O-CG 3.4Å; T519-L523 PolarHBondContact O-N 2.82Å
520S98Very high97.1Very high30 Ų3052.5 Ų52.521%0.2127%0.266CS..Hα-helixtrans-56.5-34.2-176.957.40000113.4W516 N517 L523 V524W516-S520 PolarHBondContact O-N 2.9Å; W516-S520 VanDerWaalsContact O-N 3.08Å; N517-S520 VanDerWaalsContact O-CB 3.3Å; N517-S520 WeakPolarHBondContact O-CB 3.16Å; N517-S520 PolarHBondContact O-N 2.79Å; N517-S520 PolarHBondContact O-OG 3.08Å; S520-L523 PolarHBondContact O-N 3.18Å; S520-V524 VanDerWaalsContact O-CG2 3.31Å; S520-V524 WeakPolarHBondContact O-CG2 3.41Å; S520-V524 PolarHBondContact O-N 3.33Å
521V98.5Very high97.6Very high103 Ų10348.6 Ų48.662%0.62425%0.249SC*.Hα-helixtrans-64.9-47.4176.3179.30000111.5T519 L523 V524 R525T519-V521 PolarHBondContact O-N 3.38Å; T519-V521 VanDerWaalsContact O-N 3.17Å; V521-L523 VanDerWaalsContact C-N 3.31Å; V521-L523 PolarHBondContact O-N 2.96Å; V521-V524 PolarHBondContact O-N 2.94Å; V521-R525 WeakPolarHBondContact O-CG 3.43Å; V521-R525 PolarHBondContact O-N 2.7Å
522D98.3Very high97.8Very high38 Ų3846.5 Ų46.520%0.20323%0.233CC..Hα-helixtrans-64.5-38.4176.2-63.3-56.3000111.4A498 N501 T519 R525 A526A498-D522 HydrophobicContact CB-CB 4.01Å; N501-D522 PolarHBondContact ND2-OD2 3.43Å; T519-D522 PolarHBondContact O-N 3.21Å; T519-D522 VanDerWaalsContact O-N 3.09Å; D522-R525 PolarHBondContact O-N 2.91Å; D522-A526 WeakPolarHBondContact O-CB 3.44Å; D522-A526 PolarHBondContact O-N 2.86Å
523L98.6Very high98Very high0 Ų039.5 Ų39.50%020%0.202CC..Hα-helixtrans-64.1-39.9178.2-71.9167.1000112.3L429 A432 M436 A498 W516 T519 S520 V521 S527L429-L523 HydrophobicContact CD2-CB 4.1Å; A432-L523 HydrophobicContact CB-CB 3.75Å; A432-L523 HydrophobicContact CB-CD2 4.04Å; A432-L523 HydrophobicContact CB-CG 4.45Å; A432-L523 WeakPolarHBondContact CB-O 3.31Å; M436-L523 HydrophobicContact CE-CD2 4.17Å; M436-L523 HydrophobicContact CG-CD2 3.55Å; M436-L523 HydrophobicContact SD-CD2 3.72Å; A498-L523 HydrophobicContact CB-CD2 4.17Å; W516-L523 HydrophobicContact CD2-CD1 3.67Å; W516-L523 HydrophobicContact CE3-CD1 3.71Å; W516-L523 HydrophobicContact CG-CD1 4.31Å; W516-L523 HydrophobicContact CH2-CD1 3.73Å; W516-L523 HydrophobicContact CH2-CD2 3.95Å; W516-L523 HydrophobicContact CH2-CG 4.38Å; W516-L523 HydrophobicContact CZ2-CD1 3.73Å; W516-L523 HydrophobicContact CZ3-CD1 3.76Å; W516-L523 HydrophobicContact CZ3-CD2 4Å; T519-L523 VanDerWaalsContact O-CG 3.27Å; T519-L523 WeakPolarHBondContact O-CG 3.4Å; T519-L523 PolarHBondContact O-N 2.82Å; S520-L523 PolarHBondContact O-N 3.18Å; V521-L523 VanDerWaalsContact C-N 3.31Å; V521-L523 PolarHBondContact O-N 2.96Å; L523-S527 PolarHBondContact O-N 3.49Å; L523-S527 VanDerWaalsContact O-N 3.13Å; L523-S527 PolarHBondContact O-OG 3.43Å
524V98.8Very high98.2Very high24 Ų2433 Ų3315%0.14517%0.172CC..Hα-helixtrans-66.4-46.6173.9170.10000110.3T425 M428 L429 S520 V521 A526 S527 E528T425-V524 HydrophobicContact CG2-CG2 4.25Å; M428-V524 HydrophobicContact CB-CB 4.43Å; M428-V524 HydrophobicContact CB-CG1 4.05Å; M428-V524 HydrophobicContact CB-CG2 4.09Å; M428-V524 HydrophobicContact CG-CG1 4.3Å; L429-V524 HydrophobicContact CD2-CG2 3.85Å; L429-V524 HydrophobicContact CG-CG2 3.96Å; S520-V524 VanDerWaalsContact O-CG2 3.31Å; S520-V524 WeakPolarHBondContact O-CG2 3.41Å; S520-V524 PolarHBondContact O-N 3.33Å; V521-V524 PolarHBondContact O-N 2.94Å; V524-A526 VanDerWaalsContact C-N 3.32Å; V524-A526 PolarHBondContact O-N 3.25Å; V524-S527 WeakPolarHBondContact O-CB 3.49Å; V524-S527 PolarHBondContact O-N 3.35Å; V524-S527 VanDerWaalsContact O-N 3.08Å; V524-E528 PolarHBondContact O-N 2.9Å
525R98.5Very high98.3Very high88 Ų8829.7 Ų29.733%0.33215%0.152SC..Hα-helixtrans-58.3-41.5176.5-74.1178.765.3-155.12.1112.7V521 D522 S527 E528 A529 D573V521-R525 WeakPolarHBondContact O-CG 3.43Å; V521-R525 PolarHBondContact O-N 2.7Å; D522-R525 PolarHBondContact O-N 2.91Å; R525-S527 VanDerWaalsContact C-N 3.33Å; R525-S527 PolarHBondContact O-N 2.91Å; R525-E528 PolarHBondContact O-N 2.85Å; R525-A529 WeakPolarHBondContact O-CB 3.45Å; R525-A529 PolarHBondContact O-N 3.22Å; R525-D573 IonicContact CZ-OD1 3.41Å; R525-D573 IonicContact NH2-OD1 3.64Å; R525-D573 PolarHBondContact NH2-OD1 3.48Å
526A98.5Very high98.4Very high1 Ų129.7 Ų29.71%0.00815%0.152CC..Hα-helixtrans-62.9-39.7175.400000112.2L494 V495 A498 D522 V524 A529 H530L494-A526 HydrophobicContact CB-CB 4.44Å; V495-A526 HydrophobicContact CG2-CB 4.09Å; A498-A526 HydrophobicContact CB-CB 4.03Å; D522-A526 WeakPolarHBondContact O-CB 3.44Å; D522-A526 PolarHBondContact O-N 2.86Å; V524-A526 VanDerWaalsContact C-N 3.32Å; V524-A526 PolarHBondContact O-N 3.25Å; A526-A529 PolarHBondContact O-N 3.38Å; A526-H530 WeakPolarHBondContact O-CB 3.37Å; A526-H530 PolarHBondContact O-N 3.48Å
527S98.8Very high98.4Very high0 Ų030 Ų300%015%0.154CC..Hα-helixtrans-69.2-41.2178-57.80000112.2M428 A432 L523 V524 R525 H530 C531M428-S527 WeakPolarHBondContact O-CB 3.48Å; M428-S527 PolarHBondContact O-OG 2.75Å; A432-S527 VanDerWaalsContact CA-OG 3.27Å; A432-S527 WeakPolarHBondContact CA-OG 3.47Å; A432-S527 VanDerWaalsContact CB-OG 3.28Å; A432-S527 WeakPolarHBondContact CB-OG 3.25Å; A432-S527 PolarHBondContact N-OG 3.39Å; L523-S527 PolarHBondContact O-N 3.49Å; L523-S527 VanDerWaalsContact O-N 3.13Å; L523-S527 PolarHBondContact O-OG 3.43Å; V524-S527 WeakPolarHBondContact O-CB 3.49Å; V524-S527 PolarHBondContact O-N 3.35Å; V524-S527 VanDerWaalsContact O-N 3.08Å; R525-S527 VanDerWaalsContact C-N 3.33Å; R525-S527 PolarHBondContact O-N 2.91Å; S527-H530 PolarHBondContact O-N 3.07Å; S527-C531 PolarHBondContact O-N 3.25Å; S527-C531 PolarHBondContact O-SG 3.45Å
528E98.6Very high98.5Very high65 Ų6525.3 Ų25.330%0.30413%0.129SC..Hα-helixtrans-61.2-46.1174-174.3-178.7-179.500111.2F380 V524 R525 H530 C531 H532F380-E528 HydrophobicContact CD2-CG 3.97Å; F380-E528 HydrophobicContact CE2-CG 3.98Å; V524-E528 PolarHBondContact O-N 2.9Å; R525-E528 PolarHBondContact O-N 2.85Å; E528-H530 PolarHBondContact O-N 3.08Å; E528-C531 PolarHBondContact O-N 2.91Å; E528-H532 WeakPolarHBondContact O-CB 3.5Å; E528-H532 PolarHBondContact O-N 3.33Å
529A98.7Very high98.5Very high0 Ų021.1 Ų21.10%011%0.107CC..Hα-helixtrans-62.8-40.7177.500000112.8A491 L494 R525 A526 H532 Y533A491-A529 HydrophobicContact CB-CB 4.5Å; L494-A529 HydrophobicContact CB-CB 4.31Å; L494-A529 HydrophobicContact CD1-CB 3.44Å; L494-A529 VanDerWaalsContact CD1-CB 3.44Å; L494-A529 HydrophobicContact CG-CB 4.48Å; R525-A529 WeakPolarHBondContact O-CB 3.45Å; R525-A529 PolarHBondContact O-N 3.22Å; A526-A529 PolarHBondContact O-N 3.38Å; A529-H532 PolarHBondContact O-N 3Å; A529-Y533 PolarHBondContact O-N 3.04Å
530H98.8Very high98.5Very high4 Ų421.3 Ų21.32%0.01911%0.109CC..Hα-helixtrans-59.5-49.1172.317573.3000111.7L435 Y454 A526 S527 E528 H532 Y533 V534L435-H530 HydrophobicContact CD1-CB 3.87Å; L435-H530 HydrophobicContact CD2-CB 4.34Å; Y454-H530 AromaticContact CE1-ND1 3.54Å; Y454-H530 AromaticContact CZ-ND1 3.63Å; Y454-H530 PolarHBondContact OH-ND1 2.96Å; A526-H530 WeakPolarHBondContact O-CB 3.37Å; A526-H530 PolarHBondContact O-N 3.48Å; S527-H530 PolarHBondContact O-N 3.07Å; E528-H530 PolarHBondContact O-N 3.08Å; H530-H532 PolarHBondContact O-N 3.49Å; H530-Y533 WeakPolarHBondContact O-CB 3.45Å; H530-Y533 PolarHBondContact O-N 2.89Å; H530-V534 WeakPolarHBondContact O-CG2 3.38Å; H530-V534 PolarHBondContact O-N 3.47Å
531C98.8Very high98.5Very high0 Ų023.2 Ų23.20%011%0.114CC..Hα-helixtrans-63.2-41.7179.3-650000111.8G376 L377 F380 S527 E528 Y533 V534 V535G376-C531 VanDerWaalsContact CA-SG 3.5Å; L377-C531 HydrophobicContact CD2-CB 4.2Å; F380-C531 HydrophobicContact CB-CB 3.87Å; F380-C531 HydrophobicContact CD2-CB 4.11Å; F380-C531 HydrophobicContact CG-CB 3.91Å; S527-C531 PolarHBondContact O-N 3.25Å; S527-C531 PolarHBondContact O-SG 3.45Å; E528-C531 PolarHBondContact O-N 2.91Å; C531-Y533 PolarHBondContact O-N 3.28Å; C531-V534 PolarHBondContact O-N 3.34Å; C531-V535 WeakPolarHBondContact O-CG2 3.24Å; C531-V535 PolarHBondContact O-N 3.16Å
532H98.8Very high98.4Very high13 Ų1321.1 Ų21.16%0.0610%0.097CC..Hα-helixtrans-62.3-43.7177.9-160163.4000111.1F380 Y487 E528 A529 H530 V534 V535 V536 Y562F380-H532 HydrophobicContact CE2-CB 3.93Å; F380-H532 HydrophobicContact CZ-CB 3.83Å; F380-H532 AromaticContact CZ-CG 3.76Å; Y487-H532 HydrophobicContact CE1-CB 4.46Å; Y487-H532 AromaticContact CE1-CD2 3.55Å; Y487-H532 AromaticContact CE1-CE1 3.67Å; Y487-H532 AromaticContact CE1-CG 3.65Å; Y487-H532 AromaticContact CE1-ND1 3.73Å; Y487-H532 AromaticContact CE1-NE2 3.57Å; Y487-H532 AromaticContact CZ-NE2 3.88Å; E528-H532 WeakPolarHBondContact O-CB 3.5Å; E528-H532 PolarHBondContact O-N 3.33Å; A529-H532 PolarHBondContact O-N 3Å; H530-H532 PolarHBondContact O-N 3.49Å; H532-V534 VanDerWaalsContact C-N 3.35Å; H532-V534 PolarHBondContact O-N 3.02Å; H532-V535 PolarHBondContact O-N 3.35Å; H532-V536 WeakPolarHBondContact O-CG2 3.5Å; H532-V536 PolarHBondContact O-N 3.3Å; H532-Y562 AromaticContact CD2-CE1 3.96Å; H532-Y562 AromaticContact CD2-CZ 3.97Å; H532-Y562 PolarHBondContact CD2-OH 2.62Å; H532-Y562 AromaticContact NE2-CE1 3.83Å; H532-Y562 AromaticContact NE2-CZ 3.76Å
533Y98.7Very high98.3Very high12 Ų1219.6 Ų19.65%0.0479%0.089CC..Hα-helixtrans-56.7-46.5171.9155.2-109.3000112.2Y454 T484 K488 A529 H530 C531 V535 V536 K537Y454-Y533 HydrophobicContact CD1-CD1 4.19Å; Y454-Y533 AromaticContact CD1-CE1 3.63Å; Y454-Y533 HydrophobicContact CD1-CE1 3.63Å; Y454-Y533 AromaticContact CE1-CD1 3.9Å; Y454-Y533 HydrophobicContact CE1-CD1 3.9Å; Y454-Y533 AromaticContact CE1-CE1 3.73Å; Y454-Y533 HydrophobicContact CE1-CE1 3.73Å; T484-Y533 HydrophobicContact CG2-CE2 4.21Å; K488-Y533 HydrophobicContact CB-CD2 3.8Å; K488-Y533 HydrophobicContact CB-CE2 3.57Å; K488-Y533 HydrophobicContact CG-CE2 4.05Å; A529-Y533 PolarHBondContact O-N 3.04Å; H530-Y533 WeakPolarHBondContact O-CB 3.45Å; H530-Y533 PolarHBondContact O-N 2.89Å; C531-Y533 PolarHBondContact O-N 3.28Å; Y533-V535 VanDerWaalsContact C-N 3.31Å; Y533-V535 PolarHBondContact O-N 3.08Å; Y533-V536 PolarHBondContact O-N 3.05Å; Y533-K537 HydrophobicContact CD2-CB 4.47Å; Y533-K537 HydrophobicContact CE1-CD 4.48Å; Y533-K537 HydrophobicContact CE2-CB 4.09Å; Y533-K537 HydrophobicContact CE2-CD 4.09Å; Y533-K537 WeakPolarHBondContact O-CB 3.41Å; Y533-K537 PolarHBondContact O-N 2.8Å; Y533-K537 WeakPolarHBondContact OH-CD 3.33Å
534V98.6Very high98.1Very high0 Ų025.9 Ų25.90%012%0.122CC..Hα-helixtrans-59.9-42.8179.2172.60000111.2L373 L377 M451 H530 C531 H532 K537 L538L373-V534 HydrophobicContact CD1-CB 4.47Å; L373-V534 HydrophobicContact CD1-CG1 4.14Å; L373-V534 HydrophobicContact CD1-CG2 4.07Å; L377-V534 HydrophobicContact CD1-CG1 4.44Å; L377-V534 HydrophobicContact CD2-CG1 4.43Å; M451-V534 HydrophobicContact CB-CG2 4.04Å; M451-V534 HydrophobicContact CG-CG2 4.19Å; M451-V534 HydrophobicContact SD-CG2 4.36Å; H530-V534 WeakPolarHBondContact O-CG2 3.38Å; H530-V534 PolarHBondContact O-N 3.47Å; C531-V534 PolarHBondContact O-N 3.34Å; H532-V534 VanDerWaalsContact C-N 3.35Å; H532-V534 PolarHBondContact O-N 3.02Å; V534-K537 PolarHBondContact O-N 2.68Å; V534-L538 HydrophobicContact CG1-CD1 3.64Å; V534-L538 HydrophobicContact CG1-CG 4.2Å; V534-L538 WeakPolarHBondContact O-CB 3.48Å; V534-L538 VanDerWaalsContact O-CG 3.27Å; V534-L538 WeakPolarHBondContact O-CG 3.47Å; V534-L538 PolarHBondContact O-N 2.91Å
535V98.8Very high97.9Very high0 Ų031.9 Ų31.90%015%0.146CC..Hα-helixtrans-62.3-47.4177.6178.60000111.2A340 F341 V344 L377 F380 C531 H532 Y533 L538 F539 Y562A340-V535 HydrophobicContact CB-CG1 3.7Å; F341-V535 HydrophobicContact CD1-CG1 4.24Å; F341-V535 HydrophobicContact CE1-CG1 4.24Å; F341-V535 HydrophobicContact CE1-CG2 4.37Å; V344-V535 HydrophobicContact CG2-CB 4.14Å; V344-V535 HydrophobicContact CG2-CG1 3.95Å; V344-V535 HydrophobicContact CG2-CG2 4.01Å; L377-V535 HydrophobicContact CD2-CG2 4.03Å; F380-V535 HydrophobicContact CD1-CG2 4.04Å; F380-V535 HydrophobicContact CE1-CG2 3.91Å; C531-V535 WeakPolarHBondContact O-CG2 3.24Å; C531-V535 PolarHBondContact O-N 3.16Å; H532-V535 PolarHBondContact O-N 3.35Å; Y533-V535 VanDerWaalsContact C-N 3.31Å; Y533-V535 PolarHBondContact O-N 3.08Å; V535-L538 PolarHBondContact O-N 3.44Å; V535-F539 PolarHBondContact O-N 3.44Å; V535-Y562 HydrophobicContact CB-CE1 4.27Å; V535-Y562 HydrophobicContact CG1-CE1 3.62Å; V535-Y562 HydrophobicContact CG1-CE2 4.48Å; V535-Y562 VanDerWaalsContact CG1-OH 3.24Å; V535-Y562 WeakPolarHBondContact CG1-OH 3.46Å
536V98.8Very high97.8Very high0 Ų028.3 Ų28.30%013%0.133CC..Hα-helixtrans-60.2-48178172.10000110.7Y487 H532 Y533 L538 F539 S540 Y562Y487-V536 HydrophobicContact CD1-CG2 4.07Å; Y487-V536 HydrophobicContact CD2-CB 4.34Å; Y487-V536 HydrophobicContact CD2-CG1 4.03Å; Y487-V536 HydrophobicContact CD2-CG2 3.88Å; Y487-V536 HydrophobicContact CE1-CG2 4.09Å; Y487-V536 HydrophobicContact CE2-CG2 3.91Å; Y487-V536 HydrophobicContact CG-CB 4.34Å; Y487-V536 HydrophobicContact CG-CG1 4.41Å; Y487-V536 HydrophobicContact CG-CG2 3.96Å; H532-V536 WeakPolarHBondContact O-CG2 3.5Å; H532-V536 PolarHBondContact O-N 3.3Å; Y533-V536 PolarHBondContact O-N 3.05Å; V536-L538 PolarHBondContact O-N 2.76Å; V536-F539 PolarHBondContact O-N 3.01Å; V536-S540 PolarHBondContact O-N 3.06Å; V536-S540 PolarHBondContact O-OG 2.97Å; V536-S540 VanDerWaalsContact O-OG 3.1Å; V536-Y562 HydrophobicContact CG2-CD1 4.03Å; V536-Y562 HydrophobicContact CG2-CE1 3.69Å
537K98.3Very high97.6Very high50 Ų5037 Ų3722%0.21717%0.174CC..Hα-helixtrans-57.4-49.8178.9174.5175.2171.965.20111.9M451 T484 Y533 V534 F539 S540 E541M451-K537 HydrophobicContact SD-CD 3.97Å; T484-K537 HydrophobicContact CG2-CB 3.9Å; T484-K537 HydrophobicContact CG2-CG 4.32Å; Y533-K537 HydrophobicContact CD2-CB 4.47Å; Y533-K537 HydrophobicContact CE1-CD 4.48Å; Y533-K537 HydrophobicContact CE2-CB 4.09Å; Y533-K537 HydrophobicContact CE2-CD 4.09Å; Y533-K537 WeakPolarHBondContact O-CB 3.41Å; Y533-K537 PolarHBondContact O-N 2.8Å; Y533-K537 WeakPolarHBondContact OH-CD 3.33Å; V534-K537 PolarHBondContact O-N 2.68Å; K537-F539 VanDerWaalsContact C-N 3.33Å; K537-F539 PolarHBondContact O-N 2.86Å; K537-S540 PolarHBondContact O-N 3.32Å; K537-E541 WeakPolarHBondContact CE-OE1 3.26Å; K537-E541 HydrophobicContact CG-CG 4.48Å; K537-E541 IonicContact NZ-OE1 2.9Å; K537-E541 PolarHBondContact NZ-OE1 3.44Å; K537-E541 WeakPolarHBondContact O-CB 3.05Å; K537-E541 WeakPolarHBondContact O-CG 3.27Å; K537-E541 PolarHBondContact O-N 3.45Å
538L98.1Very high97.5Very high11 Ų1140.1 Ų40.16%0.05819%0.19CC..Hα-helixtrans-67.6-33.6-177.3-70.6174.3000112.3V344 Y347 M451 V534 V535 V536 K542V344-L538 HydrophobicContact CB-CD1 4.47Å; V344-L538 HydrophobicContact CG1-CD1 4.3Å; V344-L538 HydrophobicContact CG2-CB 4.21Å; V344-L538 HydrophobicContact CG2-CD1 4.01Å; Y347-L538 HydrophobicContact CD1-CD1 3.52Å; Y347-L538 HydrophobicContact CD1-CD2 4.18Å; Y347-L538 HydrophobicContact CD2-CD1 4.42Å; Y347-L538 HydrophobicContact CD2-CD2 3.63Å; Y347-L538 HydrophobicContact CE1-CD1 4.08Å; Y347-L538 HydrophobicContact CE1-CD2 4.43Å; Y347-L538 HydrophobicContact CE2-CD2 3.91Å; Y347-L538 HydrophobicContact CG-CD1 3.72Å; Y347-L538 HydrophobicContact CG-CD2 3.78Å; Y347-L538 HydrophobicContact CG-CG 4.42Å; M451-L538 HydrophobicContact CE-CD2 3.98Å; V534-L538 HydrophobicContact CG1-CD1 3.64Å; V534-L538 HydrophobicContact CG1-CG 4.2Å; V534-L538 WeakPolarHBondContact O-CB 3.48Å; V534-L538 VanDerWaalsContact O-CG 3.27Å; V534-L538 WeakPolarHBondContact O-CG 3.47Å; V534-L538 PolarHBondContact O-N 2.91Å; V535-L538 PolarHBondContact O-N 3.44Å; V536-L538 PolarHBondContact O-N 2.76Å; L538-K542 WeakPolarHBondContact O-CB 3.42Å; L538-K542 PolarHBondContact O-N 2.86Å
539F98.3Very high97.5Very high0 Ų044.5 Ų44.50%021%0.208CC..Hα-helixtrans-66.5-50.9172.7-159.7164.8000110.4A340 F343 V535 V536 K537 E541 K542 L543 L558 C559A340-F539 HydrophobicContact CB-CD1 3.48Å; A340-F539 VanDerWaalsContact CB-CD1 3.48Å; A340-F539 HydrophobicContact CB-CE1 3.87Å; A340-F539 HydrophobicContact CB-CG 4.4Å; F343-F539 AromaticContact CD2-CD2 3.73Å; F343-F539 HydrophobicContact CD2-CD2 3.73Å; F343-F539 AromaticContact CD2-CE2 3.92Å; F343-F539 HydrophobicContact CD2-CE2 3.92Å; F343-F539 HydrophobicContact CD2-CG 4.27Å; F343-F539 AromaticContact CE2-CD2 3.82Å; F343-F539 HydrophobicContact CE2-CD2 3.82Å; F343-F539 AromaticContact CE2-CE2 3.53Å; F343-F539 HydrophobicContact CE2-CE2 3.53Å; F343-F539 HydrophobicContact CE2-CZ 4.17Å; V535-F539 PolarHBondContact O-N 3.44Å; V536-F539 PolarHBondContact O-N 3.01Å; K537-F539 VanDerWaalsContact C-N 3.33Å; K537-F539 PolarHBondContact O-N 2.86Å; F539-E541 VanDerWaalsContact C-N 3.31Å; F539-E541 PolarHBondContact O-N 2.84Å; F539-K542 WeakPolarHBondContact O-CB 3.39Å; F539-K542 PolarHBondContact O-N 3.49Å; F539-L543 HydrophobicContact CE2-CD2 4.31Å; F539-L543 PolarHBondContact O-N 3.45Å; F539-L558 HydrophobicContact CE1-CB 4.45Å; F539-L558 HydrophobicContact CZ-CB 3.94Å; F539-C559 HydrophobicContact CD1-CB 4.13Å; F539-C559 HydrophobicContact CD2-CB 3.86Å; F539-C559 HydrophobicContact CE1-CB 4.1Å; F539-C559 HydrophobicContact CE2-CB 3.79Å; F539-C559 HydrophobicContact CG-CB 4.04Å; F539-C559 HydrophobicContact CZ-CB 3.94Å
540S97.9Very high97.4Very high9 Ų946.2 Ų46.26%0.06322%0.222CC..Hα-helixtrans-55.7-44177.1-61.90000112.4P480 T484 V536 K537 K542 L543P480-S540 PolarHBondContact O-OG 3.26Å; T484-S540 PolarHBondContact OG1-OG 3.43Å; V536-S540 PolarHBondContact O-N 3.06Å; V536-S540 PolarHBondContact O-OG 2.97Å; V536-S540 VanDerWaalsContact O-OG 3.1Å; K537-S540 PolarHBondContact O-N 3.32Å; S540-K542 VanDerWaalsContact C-N 3.32Å; S540-K542 PolarHBondContact O-N 3.38Å; S540-L543 WeakPolarHBondContact O-CB 3.28Å; S540-L543 PolarHBondContact O-N 3.26Å
541E96.8Very high97.4Very high69 Ų6946 Ų4632%0.32222%0.222SC..Hα-helixtrans-66.5-31.1176.7-74.7179.717000113.3K537 F539 L543 L544K537-E541 WeakPolarHBondContact CE-OE1 3.26Å; K537-E541 HydrophobicContact CG-CG 4.48Å; K537-E541 IonicContact NZ-OE1 2.9Å; K537-E541 PolarHBondContact NZ-OE1 3.44Å; K537-E541 WeakPolarHBondContact O-CB 3.05Å; K537-E541 WeakPolarHBondContact O-CG 3.27Å; K537-E541 PolarHBondContact O-N 3.45Å; F539-E541 VanDerWaalsContact C-N 3.31Å; F539-E541 PolarHBondContact O-N 2.84Å; E541-L543 VanDerWaalsContact C-N 3.32Å; E541-L544 PolarHBondContact O-N 3.05Å
542K96.3Very high97.4Very high60 Ų6047.5 Ų47.526%0.26123%0.229SC..Hα-helixtrans-66.1-36.5176.2-177.462.6174-176.20111.3F343 L538 F539 S540 L544 K545 I546F343-K542 HydrophobicContact CB-CG 4.48Å; F343-K542 HydrophobicContact CD1-CD 4.22Å; F343-K542 HydrophobicContact CD1-CG 3.81Å; F343-K542 HydrophobicContact CD2-CB 4.2Å; F343-K542 HydrophobicContact CD2-CG 3.93Å; F343-K542 HydrophobicContact CE1-CD 4.44Å; F343-K542 HydrophobicContact CE1-CG 3.95Å; F343-K542 HydrophobicContact CE2-CG 4.05Å; F343-K542 HydrophobicContact CG-CB 4.25Å; F343-K542 HydrophobicContact CG-CG 3.81Å; F343-K542 HydrophobicContact CZ-CG 4.06Å; L538-K542 WeakPolarHBondContact O-CB 3.42Å; L538-K542 PolarHBondContact O-N 2.86Å; F539-K542 WeakPolarHBondContact O-CB 3.39Å; F539-K542 PolarHBondContact O-N 3.49Å; S540-K542 VanDerWaalsContact C-N 3.32Å; S540-K542 PolarHBondContact O-N 3.38Å; K542-L544 PolarHBondContact O-N 3.48Å; K542-K545 WeakPolarHBondContact O-CB 3.39Å; K542-K545 PolarHBondContact O-N 2.91Å; K542-I546 HydrophobicContact CD-CD1 4.46Å; K542-I546 HydrophobicContact CG-CD1 4.42Å; K542-I546 WeakPolarHBondContact O-CG1 3.39Å
543L96.3Very high97.3Very high6 Ų649 Ų493%0.03124%0.243CC..Hα-helixtrans-55.9-40.6177.9-62.6177.3000111.9P480 F539 S540 E541 K545 I546 L555 R556 C559P480-L543 HydrophobicContact CB-CD1 4.34Å; P480-L543 HydrophobicContact CG-CD1 4.06Å; F539-L543 HydrophobicContact CE2-CD2 4.31Å; F539-L543 PolarHBondContact O-N 3.45Å; S540-L543 WeakPolarHBondContact O-CB 3.28Å; S540-L543 PolarHBondContact O-N 3.26Å; E541-L543 VanDerWaalsContact C-N 3.32Å; L543-K545 PolarHBondContact O-N 3.08Å; L543-K545 VanDerWaalsContact O-N 3.11Å; L543-I546 PolarHBondContact O-N 2.62Å; L543-I546 VanDerWaalsContact O-N 3.09Å; L543-L555 HydrophobicContact CD2-CB 3.62Å; L543-R556 HydrophobicContact CD1-CB 4.24Å; L543-R556 HydrophobicContact CD2-CB 4.47Å; L543-C559 HydrophobicContact CD1-CB 3.83Å
544L95.3Very high97.3Very high132 Ų13248.5 Ų48.569%0.69124%0.241SC*.THydrogen-bonded Turntrans-62.8-19.8179.2-57.9177.3000113.5E541 K542E541-L544 PolarHBondContact O-N 3.05Å; K542-L544 PolarHBondContact O-N 3.48Å
545K95.5Very high97.3Very high149 Ų14948.5 Ų48.565%0.64824%0.241SC*.THydrogen-bonded Turntrans-96.1-5.1-179.3-57.5177.9-176.11770112.7K542 L543K542-K545 WeakPolarHBondContact O-CB 3.39Å; K542-K545 PolarHBondContact O-N 2.91Å; L543-K545 PolarHBondContact O-N 3.08Å; L543-K545 VanDerWaalsContact O-N 3.11Å
546I96.1Very high97.3Very high14 Ų1451.9 Ų51.97%0.07225%0.254CS..  trans-84.2121.8179.8-53.8-53.5000109.6I22 K542 L543 I551 E552 L555I22-I546 HydrophobicContact CD1-CD1 4.07Å; I22-I546 HydrophobicContact CD1-CG2 4.38Å; I22-I546 HydrophobicContact CG2-CD1 4.05Å; K542-I546 HydrophobicContact CD-CD1 4.46Å; K542-I546 HydrophobicContact CG-CD1 4.42Å; K542-I546 WeakPolarHBondContact O-CG1 3.39Å; L543-I546 PolarHBondContact O-N 2.62Å; L543-I546 VanDerWaalsContact O-N 3.09Å; I546-I551 HydrophobicContact CG2-CB 3.99Å; I546-I551 HydrophobicContact CG2-CG2 3.89Å; I546-E552 HydrophobicContact CB-CB 4.13Å; I546-E552 HydrophobicContact CB-CG 4.46Å; I546-E552 HydrophobicContact CG2-CB 3.95Å; I546-L555 HydrophobicContact CD1-CD1 4.21Å; I546-L555 HydrophobicContact CG1-CD1 4.09Å
547Q93.6Very high97.3Very high184 Ų18453.4 Ų53.486%0.8626%0.262SS*.  trans-84.1-43.2-177.1-64.3-178.6-9.700112.3K549Q547-K549 PolarHBondContact O-N 3.23Å
548D97.4Very high97.3Very high64 Ų6451 Ų5134%0.34225%0.252SS..  trans-70.9126.6179.8-174-76000111A550 I551 E552D548-A550 WeakPolarHBondContact OD1-CA 3.32Å; D548-A550 WeakPolarHBondContact OD1-CB 3.37Å; D548-A550 PolarHBondContact OD1-N 2.85Å; D548-I551 HydrophobicContact CB-CB 4.07Å; D548-I551 HydrophobicContact CB-CG1 3.79Å; D548-I551 PolarHBondContact O-N 3.17Å; D548-I551 WeakPolarHBondContact OD1-CG1 3.08Å; D548-I551 PolarHBondContact OD1-N 3.3Å; D548-E552 WeakPolarHBondContact O-CB 3.13Å; D548-E552 PolarHBondContact O-N 2.99Å
549K97.4Very high97.4Very high157 Ų15750.5 Ų50.568%0.68325%0.249SC*.Hα-helixtrans-73.3-32.1-173.9-64.6-57-175.1-173.70113.7Q547 A553Q547-K549 PolarHBondContact O-N 3.23Å; K549-A553 WeakPolarHBondContact O-CB 3.18Å; K549-A553 PolarHBondContact O-N 3.17Å
550A97.9Very high97.4Very high36 Ų3650.7 Ų50.730%0.29825%0.25SC..Hα-helixtrans-70.5-41.6176.400000110.1F14 D548 A553 V554F14-A550 HydrophobicContact CB-CB 3.89Å; D548-A550 WeakPolarHBondContact OD1-CA 3.32Å; D548-A550 WeakPolarHBondContact OD1-CB 3.37Å; D548-A550 PolarHBondContact OD1-N 2.85Å; A550-A553 PolarHBondContact O-N 3.18Å; A550-V554 PolarHBondContact O-N 2.99Å; A550-V554 VanDerWaalsContact O-N 3.11Å
551I98.1Very high97.4Very high0 Ų050.2 Ų50.20%025%0.247CC..Hα-helixtrans-65.2-43.8175.1-54.3-68.2000111.5F14 L18 L19 I22 I546 D548 A553 V554 L555F14-I551 HydrophobicContact CB-CD1 3.96Å; F14-I551 HydrophobicContact CD2-CD1 3.4Å; F14-I551 VanDerWaalsContact CD2-CD1 3.4Å; F14-I551 HydrophobicContact CE2-CD1 4.28Å; F14-I551 HydrophobicContact CG-CD1 4.06Å; L18-I551 HydrophobicContact CB-CD1 4.06Å; L18-I551 HydrophobicContact CB-CG1 4.14Å; L19-I551 HydrophobicContact CB-CD1 4.04Å; L19-I551 HydrophobicContact CD1-CG2 4.03Å; I22-I551 HydrophobicContact CD1-CG2 3.65Å; I546-I551 HydrophobicContact CG2-CB 3.99Å; I546-I551 HydrophobicContact CG2-CG2 3.89Å; D548-I551 HydrophobicContact CB-CB 4.07Å; D548-I551 HydrophobicContact CB-CG1 3.79Å; D548-I551 PolarHBondContact O-N 3.17Å; D548-I551 WeakPolarHBondContact OD1-CG1 3.08Å; D548-I551 PolarHBondContact OD1-N 3.3Å; I551-A553 VanDerWaalsContact C-N 3.32Å; I551-A553 PolarHBondContact O-N 3.34Å; I551-V554 WeakPolarHBondContact O-CG1 3.47Å; I551-V554 PolarHBondContact O-N 2.98Å; I551-L555 HydrophobicContact CG2-CD1 3.8Å; I551-L555 HydrophobicContact CG2-CG 4.21Å; I551-L555 WeakPolarHBondContact O-CB 3.47Å; I551-L555 VanDerWaalsContact O-CG 3.31Å; I551-L555 WeakPolarHBondContact O-CG 3.32Å; I551-L555 PolarHBondContact O-N 2.99Å
552E98.1Very high97.5Very high32 Ų3247.3 Ų47.315%0.1523%0.233CC..Hα-helixtrans-60.7-42.4176.2-171.8-84.2160.400111.2I546 D548 L555 R556I546-E552 HydrophobicContact CB-CB 4.13Å; I546-E552 HydrophobicContact CB-CG 4.46Å; I546-E552 HydrophobicContact CG2-CB 3.95Å; D548-E552 WeakPolarHBondContact O-CB 3.13Å; D548-E552 PolarHBondContact O-N 2.99Å; E552-L555 PolarHBondContact O-N 2.97Å; E552-R556 WeakPolarHBondContact O-CB 3.27Å; E552-R556 PolarHBondContact O-N 3.48Å; E552-R556 IonicContact OE1-CZ 3.36Å; E552-R556 IonicContact OE1-NE 3.33Å; E552-R556 PolarHBondContact OE1-NE 3.4Å; E552-R556 IonicContact OE1-NH2 2.97Å; E552-R556 PolarHBondContact OE1-NH2 2.93Å; E552-R556 IonicContact OE2-NE 3.27Å
553A98.1Very high97.7Very high43 Ų4344.5 Ų44.536%0.35522%0.221SC..Hα-helixtrans-62.6-46.7179.800000112.5K549 A550 I551 R556 N557K549-A553 WeakPolarHBondContact O-CB 3.18Å; K549-A553 PolarHBondContact O-N 3.17Å; A550-A553 PolarHBondContact O-N 3.18Å; I551-A553 VanDerWaalsContact C-N 3.32Å; I551-A553 PolarHBondContact O-N 3.34Å; A553-R556 WeakPolarHBondContact O-CB 3.49Å; A553-R556 PolarHBondContact O-N 3.34Å; A553-N557 PolarHBondContact O-N 3.05Å
554V98.3Very high97.8Very high2 Ų244.2 Ų44.21%0.01222%0.219CC..Hα-helixtrans-69.5-39.3179.575.70000111.7F14 A550 I551 R556 N557 L558 D602 L606F14-V554 HydrophobicContact CD1-CB 4.16Å; F14-V554 HydrophobicContact CD1-CG1 3.91Å; F14-V554 HydrophobicContact CD1-CG2 4.15Å; F14-V554 HydrophobicContact CD2-CG1 4.42Å; F14-V554 HydrophobicContact CE1-CB 4.43Å; F14-V554 HydrophobicContact CE1-CG1 4.13Å; F14-V554 HydrophobicContact CE1-CG2 4Å; F14-V554 HydrophobicContact CG-CG1 4.07Å; F14-V554 HydrophobicContact CZ-CG1 4.44Å; A550-V554 PolarHBondContact O-N 2.99Å; A550-V554 VanDerWaalsContact O-N 3.11Å; I551-V554 WeakPolarHBondContact O-CG1 3.47Å; I551-V554 PolarHBondContact O-N 2.98Å; V554-R556 VanDerWaalsContact C-N 3.33Å; V554-R556 PolarHBondContact O-N 2.82Å; V554-N557 WeakPolarHBondContact O-CB 3.38Å; V554-N557 PolarHBondContact O-N 3.06Å; V554-L558 PolarHBondContact O-N 3.13Å; V554-L558 VanDerWaalsContact O-N 3.11Å; V554-D602 HydrophobicContact CG2-CB 4.02Å; V554-L606 HydrophobicContact CG1-CD2 4.19Å; V554-L606 HydrophobicContact CG2-CD1 3.92Å; V554-L606 HydrophobicContact CG2-CD2 3.84Å; V554-L606 HydrophobicContact CG2-CG 4.14Å
555L98.6Very high97.9Very high0 Ų040.9 Ų40.90%020%0.198CC..Hα-helixtrans-67.9-33174.9-71.2-179.6000112L19 Y339 F343 L543 I546 I551 E552 L558 C559L19-L555 HydrophobicContact CD1-CD1 4.04Å; L19-L555 HydrophobicContact CD1-CD2 4.13Å; L19-L555 HydrophobicContact CD1-CG 4.36Å; Y339-L555 HydrophobicContact CD1-CD2 3.93Å; Y339-L555 HydrophobicContact CE1-CD2 4.21Å; Y339-L555 HydrophobicContact CG-CD2 4.34Å; F343-L555 HydrophobicContact CE2-CD2 4.42Å; F343-L555 HydrophobicContact CZ-CD1 4.1Å; F343-L555 HydrophobicContact CZ-CD2 4.25Å; L543-L555 HydrophobicContact CD2-CB 3.62Å; I546-L555 HydrophobicContact CD1-CD1 4.21Å; I546-L555 HydrophobicContact CG1-CD1 4.09Å; I551-L555 HydrophobicContact CG2-CD1 3.8Å; I551-L555 HydrophobicContact CG2-CG 4.21Å; I551-L555 WeakPolarHBondContact O-CB 3.47Å; I551-L555 VanDerWaalsContact O-CG 3.31Å; I551-L555 WeakPolarHBondContact O-CG 3.32Å; I551-L555 PolarHBondContact O-N 2.99Å; E552-L555 PolarHBondContact O-N 2.97Å; L555-L558 HydrophobicContact CD2-CD1 4.28Å; L555-L558 PolarHBondContact O-N 3.22Å; L555-C559 WeakPolarHBondContact O-CB 3.38Å; L555-C559 PolarHBondContact O-N 2.94Å
556R98.6Very high98.1Very high71 Ų7134 Ų3427%0.26817%0.169SC..Hα-helixtrans-62.8-44.2172174-179.4-73-93-6.7110.7P480 L543 E552 A553 V554 L558 C559 L560P480-R556 HydrophobicContact CG-CG 4.49Å; L543-R556 HydrophobicContact CD1-CB 4.24Å; L543-R556 HydrophobicContact CD2-CB 4.47Å; E552-R556 WeakPolarHBondContact O-CB 3.27Å; E552-R556 PolarHBondContact O-N 3.48Å; E552-R556 IonicContact OE1-CZ 3.36Å; E552-R556 IonicContact OE1-NE 3.33Å; E552-R556 PolarHBondContact OE1-NE 3.4Å; E552-R556 IonicContact OE1-NH2 2.97Å; E552-R556 PolarHBondContact OE1-NH2 2.93Å; E552-R556 IonicContact OE2-NE 3.27Å; A553-R556 WeakPolarHBondContact O-CB 3.49Å; A553-R556 PolarHBondContact O-N 3.34Å; V554-R556 VanDerWaalsContact C-N 3.33Å; V554-R556 PolarHBondContact O-N 2.82Å; R556-L558 VanDerWaalsContact C-N 3.31Å; R556-L558 PolarHBondContact O-N 3.26Å; R556-C559 PolarHBondContact O-N 2.9Å; R556-L560 HydrophobicContact CG-CD1 4.11Å; R556-L560 HydrophobicContact CG-CG 4.34Å; R556-L560 WeakPolarHBondContact O-CB 3.36Å; R556-L560 VanDerWaalsContact O-CG 3.32Å; R556-L560 WeakPolarHBondContact O-CG 3.46Å; R556-L560 PolarHBondContact O-N 3.23Å
557N98.7Very high98.2Very high32 Ų3233.3 Ų33.317%0.17117%0.166CC..Hα-helixtrans-59.2-42.9175.4-72.8-23.3000111.6A553 V554 L561 L595 I599A553-N557 PolarHBondContact O-N 3.05Å; V554-N557 WeakPolarHBondContact O-CB 3.38Å; V554-N557 PolarHBondContact O-N 3.06Å; N557-L561 VanDerWaalsContact O-CB 3.28Å; N557-L561 WeakPolarHBondContact O-CB 3.49Å; N557-L561 PolarHBondContact O-N 3.5Å; N557-L595 HydrophobicContact CB-CD2 4.13Å; N557-I599 HydrophobicContact CB-CD1 4.24Å; N557-I599 HydrophobicContact CB-CG1 3.99Å
558L98.8Very high98.4Very high0 Ų025.9 Ų25.90%013%0.134CC..Hα-helixtrans-65.1-42.5174.2-67.7178.3000112.4L335 A336 Y339 F539 V554 L555 R556 L561 Y562 I599 L606L335-L558 HydrophobicContact CD2-CD2 4.32Å; L335-L558 HydrophobicContact CG-CD2 4.3Å; A336-L558 HydrophobicContact CB-CB 4.04Å; A336-L558 HydrophobicContact CB-CD2 3.89Å; A336-L558 WeakPolarHBondContact CB-O 3.21Å; Y339-L558 HydrophobicContact CD2-CD1 3.48Å; Y339-L558 VanDerWaalsContact CD2-CD1 3.48Å; Y339-L558 HydrophobicContact CE2-CD1 3.85Å; Y339-L558 HydrophobicContact CG-CD1 4.05Å; F539-L558 HydrophobicContact CE1-CB 4.45Å; F539-L558 HydrophobicContact CZ-CB 3.94Å; V554-L558 PolarHBondContact O-N 3.13Å; V554-L558 VanDerWaalsContact O-N 3.11Å; L555-L558 HydrophobicContact CD2-CD1 4.28Å; L555-L558 PolarHBondContact O-N 3.22Å; R556-L558 VanDerWaalsContact C-N 3.31Å; R556-L558 PolarHBondContact O-N 3.26Å; L558-L561 PolarHBondContact O-N 3.16Å; L558-Y562 WeakPolarHBondContact O-CB 3.45Å; L558-Y562 PolarHBondContact O-N 3.35Å; L558-I599 HydrophobicContact CD2-CD1 4Å; L558-I599 HydrophobicContact CD2-CG1 4.49Å; L558-I599 HydrophobicContact CD2-CG2 4.38Å; L558-L606 HydrophobicContact CD1-CD1 4.15Å; L558-L606 HydrophobicContact CD1-CD2 3.9Å; L558-L606 HydrophobicContact CD2-CD1 4.3Å; L558-L606 HydrophobicContact CG-CD1 4.46Å
559C98.8Very high98.4Very high0 Ų027.8 Ų27.80%014%0.141CC..Hα-helixtrans-62.1-44.5177.7-174.10000111.9F539 L543 L555 R556 S563F539-C559 HydrophobicContact CD1-CB 4.13Å; F539-C559 HydrophobicContact CD2-CB 3.86Å; F539-C559 HydrophobicContact CE1-CB 4.1Å; F539-C559 HydrophobicContact CE2-CB 3.79Å; F539-C559 HydrophobicContact CG-CB 4.04Å; F539-C559 HydrophobicContact CZ-CB 3.94Å; L543-C559 HydrophobicContact CD1-CB 3.83Å; L555-C559 WeakPolarHBondContact O-CB 3.38Å; L555-C559 PolarHBondContact O-N 2.94Å; R556-C559 PolarHBondContact O-N 2.9Å; C559-S563 WeakPolarHBondContact O-CB 3.49Å; C559-S563 PolarHBondContact O-N 3.01Å; C559-S563 PolarHBondContact O-OG 2.89Å
560L98.8Very high98.4Very high4 Ų422.2 Ų22.22%0.02112%0.118CC..Hα-helixtrans-63.2-46.1174.1-69.7176.1000110.7P480 L483 R556 Y562 S563 L564 L595P480-L560 HydrophobicContact CG-CD2 4.04Å; L483-L560 HydrophobicContact CD1-CD2 3.7Å; R556-L560 HydrophobicContact CG-CD1 4.11Å; R556-L560 HydrophobicContact CG-CG 4.34Å; R556-L560 WeakPolarHBondContact O-CB 3.36Å; R556-L560 VanDerWaalsContact O-CG 3.32Å; R556-L560 WeakPolarHBondContact O-CG 3.46Å; R556-L560 PolarHBondContact O-N 3.23Å; L560-Y562 PolarHBondContact O-N 3.15Å; L560-S563 PolarHBondContact O-N 3.47Å; L560-L564 HydrophobicContact CB-CD1 4.48Å; L560-L564 VanDerWaalsContact O-CB 3.26Å; L560-L564 WeakPolarHBondContact O-CB 3.49Å; L560-L564 VanDerWaalsContact O-CG 3.25Å; L560-L564 WeakPolarHBondContact O-CG 3.45Å; L560-L564 PolarHBondContact O-N 3.15Å; L560-L595 HydrophobicContact CB-CD1 3.82Å; L560-L595 HydrophobicContact CB-CD2 4.33Å; L560-L595 HydrophobicContact CD1-CD2 4.49Å
561L98.9Very high98.3Very high0 Ų021.5 Ų21.50%011%0.113CC..Hα-helixtrans-61.1-47.4179.5178.961.4000111.4F332 P333 A336 N557 L558 S563 Y565 V592 L595 L596 I599F332-L561 HydrophobicContact CB-CD2 3.67Å; P333-L561 HydrophobicContact CG-CD1 4.45Å; P333-L561 HydrophobicContact CG-CD2 4.46Å; A336-L561 HydrophobicContact CB-CB 4.47Å; A336-L561 HydrophobicContact CB-CD2 4.43Å; N557-L561 VanDerWaalsContact O-CB 3.28Å; N557-L561 WeakPolarHBondContact O-CB 3.49Å; N557-L561 PolarHBondContact O-N 3.5Å; L558-L561 PolarHBondContact O-N 3.16Å; L561-S563 VanDerWaalsContact C-N 3.35Å; L561-S563 PolarHBondContact O-N 2.79Å; L561-Y565 WeakPolarHBondContact O-CB 3.49Å; L561-Y565 PolarHBondContact O-N 2.64Å; L561-V592 HydrophobicContact CD1-CG1 3.88Å; L561-L595 HydrophobicContact CB-CB 4.47Å; L561-L595 HydrophobicContact CB-CD1 4.3Å; L561-L595 HydrophobicContact CD1-CB 4.34Å; L561-L596 HydrophobicContact CD1-CD2 4.16Å; L561-L596 HydrophobicContact CD2-CD2 4.18Å; L561-I599 HydrophobicContact CB-CD1 4.12Å; L561-I599 HydrophobicContact CD2-CD1 3.53Å; L561-I599 HydrophobicContact CG-CD1 4.42Å
562Y98.8Very high98.3Very high8 Ų823.7 Ų23.73%0.03114%0.135CC..Hα-helixtrans-56.5-49.9176.7177.3-99.5000111.3T337 A340 H532 V535 V536 L558 L560 G566T337-Y562 HydrophobicContact CG2-CE2 4.15Å; T337-Y562 WeakPolarHBondContact OG1-CD2 3.42Å; A340-Y562 HydrophobicContact CB-CD1 4.46Å; A340-Y562 HydrophobicContact CB-CD2 4.23Å; A340-Y562 HydrophobicContact CB-CE1 4.47Å; A340-Y562 HydrophobicContact CB-CE2 4.24Å; A340-Y562 HydrophobicContact CB-CG 4.35Å; H532-Y562 AromaticContact CD2-CE1 3.96Å; H532-Y562 AromaticContact CD2-CZ 3.97Å; H532-Y562 PolarHBondContact CD2-OH 2.62Å; H532-Y562 AromaticContact NE2-CE1 3.83Å; H532-Y562 AromaticContact NE2-CZ 3.76Å; V535-Y562 HydrophobicContact CB-CE1 4.27Å; V535-Y562 HydrophobicContact CG1-CE1 3.62Å; V535-Y562 HydrophobicContact CG1-CE2 4.48Å; V535-Y562 VanDerWaalsContact CG1-OH 3.24Å; V535-Y562 WeakPolarHBondContact CG1-OH 3.46Å; V536-Y562 HydrophobicContact CG2-CD1 4.03Å; V536-Y562 HydrophobicContact CG2-CE1 3.69Å; L558-Y562 WeakPolarHBondContact O-CB 3.45Å; L558-Y562 PolarHBondContact O-N 3.35Å; L560-Y562 PolarHBondContact O-N 3.15Å; Y562-G566 PolarHBondContact O-N 3.07Å
563S98.7Very high98.2Very high0 Ų023 Ų230%013%0.133CC..Hα-helixtrans-67.1-45.8-176.5-56.40000112.1Y487 C559 L560 L561 G566 I567Y487-S563 WeakPolarHBondContact CE2-O 3.28Å; Y487-S563 PolarHBondContact OH-O 3.4Å; C559-S563 WeakPolarHBondContact O-CB 3.49Å; C559-S563 PolarHBondContact O-N 3.01Å; C559-S563 PolarHBondContact O-OG 2.89Å; L560-S563 PolarHBondContact O-N 3.47Å; L561-S563 VanDerWaalsContact C-N 3.35Å; L561-S563 PolarHBondContact O-N 2.79Å; S563-G566 PolarHBondContact O-N 3.38Å; S563-I567 WeakPolarHBondContact O-CG1 3.21Å; S563-I567 PolarHBondContact O-N 3.13Å; S563-I567 VanDerWaalsContact O-N 3.08Å
564L98.8Very high98Very high0 Ų021 Ų210%012%0.116CC..Hα-helixtrans-71.6-37.5-179.9-69.2170.4000112.2I477 L483 L560 I567 S568 V588 R591 V592 L595I477-L564 HydrophobicContact CB-CD2 3.98Å; I477-L564 HydrophobicContact CG2-CD2 4.36Å; L483-L564 HydrophobicContact CD1-CD2 4.1Å; L483-L564 HydrophobicContact CD1-CG 4.04Å; L483-L564 HydrophobicContact CD2-CD2 3.88Å; L560-L564 HydrophobicContact CB-CD1 4.48Å; L560-L564 VanDerWaalsContact O-CB 3.26Å; L560-L564 WeakPolarHBondContact O-CB 3.49Å; L560-L564 VanDerWaalsContact O-CG 3.25Å; L560-L564 WeakPolarHBondContact O-CG 3.45Å; L560-L564 PolarHBondContact O-N 3.15Å; L564-I567 HydrophobicContact CD2-CD1 4.46Å; L564-I567 PolarHBondContact O-N 3.42Å; L564-S568 PolarHBondContact O-N 3.25Å; L564-V588 HydrophobicContact CB-CG1 4.08Å; L564-V588 HydrophobicContact CD2-CG1 4.09Å; L564-V588 HydrophobicContact CD2-CG2 4.08Å; L564-V588 VanDerWaalsContact O-CG1 3.28Å; L564-V588 WeakPolarHBondContact O-CG1 3.41Å; L564-R591 HydrophobicContact CD1-CB 4.17Å; L564-R591 HydrophobicContact CD1-CG 3.55Å; L564-V592 HydrophobicContact CB-CG2 3.68Å; L564-L595 HydrophobicContact CD1-CD1 3.72Å
565Y98.6Very high97.8Very high63 Ų6324.1 Ų24.125%0.24713%0.132CC..Hα-helixtrans-61.2-45.9173.1-178.7-99.2000110.7Y329 P333 L561 I567 S568 Q569Y329-Y565 AromaticContact CE1-CE2 3.93Å; Y329-Y565 HydrophobicContact CE1-CE2 3.93Å; Y329-Y565 HydrophobicContact CE2-CD2 4.26Å; Y329-Y565 HydrophobicContact CE2-CE2 4.15Å; Y329-Y565 AromaticContact CZ-CE2 3.63Å; P333-Y565 HydrophobicContact CB-CD1 3.85Å; P333-Y565 HydrophobicContact CB-CD2 3.85Å; P333-Y565 HydrophobicContact CB-CE1 4.06Å; P333-Y565 HydrophobicContact CB-CE2 4.06Å; P333-Y565 HydrophobicContact CB-CG 3.74Å; P333-Y565 HydrophobicContact CG-CD2 3.68Å; P333-Y565 HydrophobicContact CG-CE2 3.9Å; P333-Y565 HydrophobicContact CG-CG 4.05Å; L561-Y565 WeakPolarHBondContact O-CB 3.49Å; L561-Y565 PolarHBondContact O-N 2.64Å; Y565-I567 VanDerWaalsContact C-N 3.29Å; Y565-I567 PolarHBondContact O-N 2.91Å; Y565-S568 WeakPolarHBondContact O-CB 3.45Å; Y565-S568 PolarHBondContact O-N 3.04Å; Y565-S568 VanDerWaalsContact O-N 3.15Å; Y565-Q569 HydrophobicContact CD1-CG 4.05Å; Y565-Q569 HydrophobicContact CE1-CG 3.65Å; Y565-Q569 HydrophobicContact CE2-CG 4.29Å; Y565-Q569 WeakPolarHBondContact O-CG 3.5Å; Y565-Q569 PolarHBondContact O-N 2.82Å
566G98.4Very high97.4Very high4 Ų429.5 Ų29.54%0.04116%0.157CC..Hα-helixtrans-61.8-34.4175.800000113.6Y487 Y562 S563 N570Y487-G566 WeakPolarHBondContact OH-CA 3.44Å; Y562-G566 PolarHBondContact O-N 3.07Å; S563-G566 PolarHBondContact O-N 3.38Å; G566-N570 WeakPolarHBondContact O-CB 3.28Å; G566-N570 PolarHBondContact O-N 2.67Å; G566-N570 PolarHBondContact O-ND2 3.34Å
567I98.4Very high96.7Very high0 Ų027 Ų270%015%0.154CC..Hα-helixtrans-65.7-47.2172.3-71162.6000110.3L483 Y487 S563 L564 Y565 Q569 N570 A571 F574 M580 I585 V588L483-I567 HydrophobicContact CD2-CD1 3.66Å; Y487-I567 HydrophobicContact CE2-CD1 3.95Å; Y487-I567 HydrophobicContact CE2-CG1 3.73Å; Y487-I567 PolarHBondContact OH-N 2.93Å; S563-I567 WeakPolarHBondContact O-CG1 3.21Å; S563-I567 PolarHBondContact O-N 3.13Å; S563-I567 VanDerWaalsContact O-N 3.08Å; L564-I567 HydrophobicContact CD2-CD1 4.46Å; L564-I567 PolarHBondContact O-N 3.42Å; Y565-I567 VanDerWaalsContact C-N 3.29Å; Y565-I567 PolarHBondContact O-N 2.91Å; I567-Q569 VanDerWaalsContact C-N 3.33Å; I567-Q569 PolarHBondContact O-N 3.15Å; I567-N570 CarbonylContact O-C 3.27Å; I567-N570 PolarHBondContact O-N 3.47Å; I567-N570 VanDerWaalsContact O-N 3.13Å; I567-A571 VanDerWaalsContact O-CA 3.24Å; I567-A571 WeakPolarHBondContact O-CA 3.47Å; I567-A571 PolarHBondContact O-N 2.67Å; I567-F574 HydrophobicContact CB-CD2 4.47Å; I567-F574 HydrophobicContact CB-CE2 4.14Å; I567-F574 HydrophobicContact CB-CZ 4.35Å; I567-F574 HydrophobicContact CG1-CD1 4.43Å; I567-F574 HydrophobicContact CG1-CD2 4.36Å; I567-F574 HydrophobicContact CG1-CE1 3.86Å; I567-F574 HydrophobicContact CG1-CE2 3.81Å; I567-F574 HydrophobicContact CG1-CZ 3.51Å; I567-F574 HydrophobicContact CG2-CD2 4.16Å; I567-F574 HydrophobicContact CG2-CE2 4.34Å; I567-F574 HydrophobicContact CG2-CG 4.45Å; I567-M580 HydrophobicContact CD1-SD 4.13Å; I567-M580 HydrophobicContact CG2-SD 3.86Å; I567-I585 HydrophobicContact CG2-CD1 3.66Å; I567-V588 HydrophobicContact CB-CG1 4.41Å; I567-V588 HydrophobicContact CG2-CG1 4.25Å; I567-V588 HydrophobicContact CG2-CG2 3.98Å
568S97.6Very high96.1Very high27 Ų2731.2 Ų31.219%0.18918%0.176CC..Hα-helixtrans-57.5-44.4178179.80000111.9L564 Y565 N570 N589L564-S568 PolarHBondContact O-N 3.25Å; Y565-S568 WeakPolarHBondContact O-CB 3.45Å; Y565-S568 PolarHBondContact O-N 3.04Å; Y565-S568 VanDerWaalsContact O-N 3.15Å; S568-N570 VanDerWaalsContact C-N 3.29Å; S568-N570 PolarHBondContact O-N 3.09Å; S568-N589 WeakPolarHBondContact CB-OD1 3.41Å; S568-N589 PolarHBondContact OG-OD1 3.09Å
569Q97.9Very high95.7Very high104 Ų10431.8 Ų31.849%0.48618%0.179SC..Hα-helixtrans-68.7-25178.6-64.8-55.5-61.200113.7Y329 Y565 I567Y329-Q569 PolarHBondContact OH-NE2 3.13Å; Y565-Q569 HydrophobicContact CD1-CG 4.05Å; Y565-Q569 HydrophobicContact CE1-CG 3.65Å; Y565-Q569 HydrophobicContact CE2-CG 4.29Å; Y565-Q569 WeakPolarHBondContact O-CG 3.5Å; Y565-Q569 PolarHBondContact O-N 2.82Å; I567-Q569 VanDerWaalsContact C-N 3.33Å; I567-Q569 PolarHBondContact O-N 3.15Å
570N97.6Very high95.3Very high41 Ų4132 Ų3222%0.21918%0.18CC..THydrogen-bonded Turntrans-122.827.2-174.3-60.6-87.3000112.3R490 G566 I567 S568 G572 D573 F574R490-N570 PolarHBondContact NH2-OD1 3.38Å; G566-N570 WeakPolarHBondContact O-CB 3.28Å; G566-N570 PolarHBondContact O-N 2.67Å; G566-N570 PolarHBondContact O-ND2 3.34Å; I567-N570 CarbonylContact O-C 3.27Å; I567-N570 PolarHBondContact O-N 3.47Å; I567-N570 VanDerWaalsContact O-N 3.13Å; S568-N570 VanDerWaalsContact C-N 3.29Å; S568-N570 PolarHBondContact O-N 3.09Å; N570-G572 PolarHBondContact O-N 3.24Å; N570-D573 WeakPolarHBondContact O-CB 3.3Å; N570-D573 PolarHBondContact O-N 2.99Å; N570-F574 HydrophobicContact CB-CE2 4.17Å; N570-F574 WeakPolarHBondContact O-CD2 3.32Å
571A96.9Very high94.9Very high21 Ų2134.8 Ų34.817%0.17420%0.197CC..Hα-helixtrans-54.8-34.3-169.700000113.2I567 D573 F574 L575 I585I567-A571 VanDerWaalsContact O-CA 3.24Å; I567-A571 WeakPolarHBondContact O-CA 3.47Å; I567-A571 PolarHBondContact O-N 2.67Å; A571-D573 VanDerWaalsContact C-N 3.27Å; A571-D573 PolarHBondContact O-N 3.37Å; A571-F574 PolarHBondContact O-N 3.13Å; A571-L575 WeakPolarHBondContact O-CG 3.38Å; A571-L575 PolarHBondContact O-N 3.45Å; A571-I585 HydrophobicContact CB-CD1 4.34Å; A571-I585 HydrophobicContact CB-CG2 4.01Å
572G96.8Very high94.6Very high46 Ų4641.8 Ų41.847%0.47423%0.23SC..Hα-helixtrans-57.1-36.4176.600000113.8N570 Q576N570-G572 PolarHBondContact O-N 3.24Å; G572-Q576 WeakPolarHBondContact O-CB 3.5Å; G572-Q576 PolarHBondContact O-N 3.04Å
573D96.1Very high94.2Very high18 Ų1844.8 Ų44.810%0.09625%0.252CS..Hα-helixtrans-69.4-40.4179-66.1-20000111.5R490 L494 R525 N570 A571 G577R490-D573 HydrophobicContact CG-CB 3.93Å; R490-D573 IonicContact CZ-OD2 3.51Å; R490-D573 VanDerWaalsContact CZ-OD2 3.25Å; R490-D573 IonicContact NE-OD2 3.47Å; R490-D573 PolarHBondContact NE-OD2 3.34Å; R490-D573 IonicContact NH2-OD2 2.85Å; R490-D573 PolarHBondContact NH2-OD2 2.81Å; L494-D573 HydrophobicContact CD1-CB 4.33Å; R525-D573 IonicContact CZ-OD1 3.41Å; R525-D573 IonicContact NH2-OD1 3.64Å; R525-D573 PolarHBondContact NH2-OD1 3.48Å; N570-D573 WeakPolarHBondContact O-CB 3.3Å; N570-D573 PolarHBondContact O-N 2.99Å; A571-D573 VanDerWaalsContact C-N 3.27Å; A571-D573 PolarHBondContact O-N 3.37Å; D573-G577 PolarHBondContact O-N 3.26Å; D573-G577 VanDerWaalsContact O-N 3.11Å
574F94.6Very high93.8Very high0 Ų045.7 Ų45.70%026%0.257CS..Hα-helixtrans-70-37.7179.6-65.2-89.2000111.8A486 Y487 R490 I567 N570 A571 N578 I579 M580 I585A486-F574 HydrophobicContact CB-CE1 4.32Å; Y487-F574 HydrophobicContact CD1-CZ 4.19Å; Y487-F574 HydrophobicContact CD2-CZ 4.47Å; Y487-F574 AromaticContact CE1-CZ 3.96Å; Y487-F574 HydrophobicContact CE1-CZ 3.96Å; Y487-F574 HydrophobicContact CE2-CZ 4.27Å; Y487-F574 HydrophobicContact CG-CZ 4.43Å; R490-F574 HydrophobicContact CB-CD1 4.28Å; R490-F574 HydrophobicContact CB-CE1 3.92Å; R490-F574 HydrophobicContact CB-CZ 4.27Å; R490-F574 HydrophobicContact CG-CE1 4.28Å; R490-F574 HydrophobicContact CG-CE2 4.45Å; R490-F574 HydrophobicContact CG-CZ 4.22Å; I567-F574 HydrophobicContact CB-CD2 4.47Å; I567-F574 HydrophobicContact CB-CE2 4.14Å; I567-F574 HydrophobicContact CB-CZ 4.35Å; I567-F574 HydrophobicContact CG1-CD1 4.43Å; I567-F574 HydrophobicContact CG1-CD2 4.36Å; I567-F574 HydrophobicContact CG1-CE1 3.86Å; I567-F574 HydrophobicContact CG1-CE2 3.81Å; I567-F574 HydrophobicContact CG1-CZ 3.51Å; I567-F574 HydrophobicContact CG2-CD2 4.16Å; I567-F574 HydrophobicContact CG2-CE2 4.34Å; I567-F574 HydrophobicContact CG2-CG 4.45Å; N570-F574 HydrophobicContact CB-CE2 4.17Å; N570-F574 WeakPolarHBondContact O-CD2 3.32Å; A571-F574 PolarHBondContact O-N 3.13Å; F574-N578 PolarHBondContact O-N 3.07Å; F574-I579 HydrophobicContact CD1-CG2 4.33Å; F574-I579 PolarHBondContact O-N 2.91Å; F574-M580 HydrophobicContact CB-CB 4.37Å; F574-M580 HydrophobicContact CB-CG 4.38Å; F574-M580 HydrophobicContact CB-SD 4.45Å; F574-M580 HydrophobicContact CD1-SD 4.24Å; F574-M580 HydrophobicContact CG-SD 4.47Å; F574-M580 PolarHBondContact O-N 3Å; F574-I585 HydrophobicContact CB-CD1 4.39Å
575L92.8Very high93.5Very high68 Ų6846.8 Ų46.836%0.35626%0.262SS..Hα-helixtrans-69.2-47.9174.6-70168.9000111.5A571 G577 N578 I585A571-L575 WeakPolarHBondContact O-CG 3.38Å; A571-L575 PolarHBondContact O-N 3.45Å; L575-G577 PolarHBondContact O-N 3.02Å; L575-N578 PolarHBondContact O-N 3.47Å; L575-I585 HydrophobicContact CD2-CG1 3.94Å; L575-I585 HydrophobicContact CG-CG1 4.13Å
576Q90.3Very high93.3Very high112 Ų11249.9 Ų49.952%0.52328%0.28SS..Hα-helixtrans-62-30.1179.6-173.2-177.317.100112.4G572 N578G572-Q576 WeakPolarHBondContact O-CB 3.5Å; G572-Q576 PolarHBondContact O-N 3.04Å; Q576-N578 VanDerWaalsContact C-N 3.29Å
577G84.5Confident93.1Very high19 Ų1954.2 Ų54.220%0.19630%0.3CS..THydrogen-bonded Turntrans-78.7-5.2174.100000115D573 L575 I579D573-G577 PolarHBondContact O-N 3.26Å; D573-G577 VanDerWaalsContact O-N 3.11Å; L575-G577 PolarHBondContact O-N 3.02Å; G577-I579 PolarHBondContact O-N 3.2Å
578N87.1Confident93Very high120 Ų12054.3 Ų54.364%0.64230%0.3SS*.THydrogen-bonded Turntrans50.832.1-166.5-60.5-45.1000112.7F574 L575 Q576F574-N578 PolarHBondContact O-N 3.07Å; L575-N578 PolarHBondContact O-N 3.47Å; Q576-N578 VanDerWaalsContact C-N 3.29Å
579I89.4Confident92.8Very high12 Ų1256.2 Ų56.26%0.06231%0.308CS..SBendtrans-82.6-39-178.8-61.2159.8000109.6A486 L489 R490 F574 G577A486-I579 HydrophobicContact CB-CG2 3.96Å; L489-I579 HydrophobicContact CB-CD1 3.9Å; L489-I579 HydrophobicContact CB-CG1 3.92Å; L489-I579 HydrophobicContact CB-CG2 4.21Å; L489-I579 HydrophobicContact CD1-CG2 4.16Å; R490-I579 VanDerWaalsContact CA-CD1 3.47Å; R490-I579 HydrophobicContact CB-CD1 3.95Å; R490-I579 VanDerWaalsContact N-CD1 3.31Å; F574-I579 HydrophobicContact CD1-CG2 4.33Å; F574-I579 PolarHBondContact O-N 2.91Å; G577-I579 PolarHBondContact O-N 3.2Å
580M91.5Very high92.7Very high6 Ų654.3 Ų54.33%0.0331%0.305CS..SBendtrans-128.3146175.4-62.7-176.174.600109.5V475 I477 I567 F574 Q584 I585 V588V475-M580 HydrophobicContact CB-CE 4.43Å; V475-M580 HydrophobicContact CB-CG 4.39Å; V475-M580 HydrophobicContact CG1-CE 4.12Å; V475-M580 HydrophobicContact CG1-SD 4.45Å; V475-M580 HydrophobicContact CG2-CG 4.03Å; I477-M580 HydrophobicContact CG2-CE 4.04Å; I567-M580 HydrophobicContact CD1-SD 4.13Å; I567-M580 HydrophobicContact CG2-SD 3.86Å; F574-M580 HydrophobicContact CB-CB 4.37Å; F574-M580 HydrophobicContact CB-CG 4.38Å; F574-M580 HydrophobicContact CB-SD 4.45Å; F574-M580 HydrophobicContact CD1-SD 4.24Å; F574-M580 HydrophobicContact CG-SD 4.47Å; F574-M580 PolarHBondContact O-N 3Å; M580-Q584 HydrophobicContact CB-CB 4.41Å; M580-Q584 HydrophobicContact CE-CB 3.84Å; M580-I585 HydrophobicContact CB-CD1 3.99Å; M580-I585 HydrophobicContact CB-CG1 4.15Å; M580-I585 HydrophobicContact CE-CD1 4.22Å; M580-I585 HydrophobicContact SD-CD1 3.91Å; M580-V588 HydrophobicContact CE-CG2 3.91Å
581T90.5Very high92.8Very high62 Ų6254.2 Ų54.238%0.3830%0.301SS..  trans-81.2161.1172.961.20000111.2S583 Q584 I585T581-S583 PolarHBondContact O-N 3.26Å; T581-Q584 PolarHBondContact O-N 3.48Å; T581-Q584 VanDerWaalsContact O-N 3.15Å; T581-Q584 WeakPolarHBondContact OG1-CG 3.31Å; T581-Q584 PolarHBondContact OG1-N 2.92Å; T581-Q584 PolarHBondContact OG1-OE1 3.43Å; T581-I585 WeakPolarHBondContact O-CG1 3.44Å; T581-I585 PolarHBondContact O-N 3.08Å
582E91Very high92.8Very high146 Ų14653.2 Ų53.268%0.68229%0.293SS*.Hα-helixtrans-53.2-43.7171.8-177.2178.5-168.600111.7Q584 I585 M586E582-Q584 PolarHBondContact O-N 2.97Å; E582-I585 PolarHBondContact O-N 3.43Å; E582-M586 HydrophobicContact CG-SD 4.39Å; E582-M586 WeakPolarHBondContact O-CG 3.07Å; E582-M586 PolarHBondContact O-N 3.16Å
583S90.7Very high92.9Very high71 Ų7156 Ų5650%0.49729%0.292SS..Hα-helixtrans-59.3-44.8177.5-178.40000112.4T581 M586 Q587T581-S583 PolarHBondContact O-N 3.26Å; S583-M586 WeakPolarHBondContact O-CB 3.43Å; S583-M586 PolarHBondContact O-N 3Å; S583-Q587 WeakPolarHBondContact O-CG 3.44Å; S583-Q587 PolarHBondContact O-N 3.42Å; S583-Q587 VanDerWaalsContact O-N 3.14Å
584Q90.5Very high93Very high20 Ų2059.9 Ų59.99%0.09331%0.31CS..Hα-helixtrans-65-41.8176.2-72.6165-56.400111.7V475 M580 T581 E582 M586 Q587 V588V475-Q584 VanDerWaalsContact N-NE2 3.16Å; V475-Q584 PolarHBondContact O-NE2 3.45Å; M580-Q584 HydrophobicContact CB-CB 4.41Å; M580-Q584 HydrophobicContact CE-CB 3.84Å; T581-Q584 PolarHBondContact O-N 3.48Å; T581-Q584 VanDerWaalsContact O-N 3.15Å; T581-Q584 WeakPolarHBondContact OG1-CG 3.31Å; T581-Q584 PolarHBondContact OG1-N 2.92Å; T581-Q584 PolarHBondContact OG1-OE1 3.43Å; E582-Q584 PolarHBondContact O-N 2.97Å; Q584-M586 VanDerWaalsContact C-N 3.3Å; Q584-M586 PolarHBondContact O-N 2.94Å; Q584-Q587 WeakPolarHBondContact O-CB 3.31Å; Q584-Q587 PolarHBondContact O-N 3.47Å; Q584-V588 WeakPolarHBondContact O-CG2 3.5Å; Q584-V588 PolarHBondContact O-N 3.25Å; Q584-V588 VanDerWaalsContact O-N 3.15Å
585I92.7Very high93.2Very high22 Ų2259.9 Ų59.911%0.11331%0.31CS..Hα-helixtrans-62-38.9175.2-66.2-63000111.2I567 A571 F574 L575 M580 T581 E582 Q587 V588I567-I585 HydrophobicContact CG2-CD1 3.66Å; A571-I585 HydrophobicContact CB-CD1 4.34Å; A571-I585 HydrophobicContact CB-CG2 4.01Å; F574-I585 HydrophobicContact CB-CD1 4.39Å; L575-I585 HydrophobicContact CD2-CG1 3.94Å; L575-I585 HydrophobicContact CG-CG1 4.13Å; M580-I585 HydrophobicContact CB-CD1 3.99Å; M580-I585 HydrophobicContact CB-CG1 4.15Å; M580-I585 HydrophobicContact CE-CD1 4.22Å; M580-I585 HydrophobicContact SD-CD1 3.91Å; T581-I585 WeakPolarHBondContact O-CG1 3.44Å; T581-I585 PolarHBondContact O-N 3.08Å; E582-I585 PolarHBondContact O-N 3.43Å; I585-Q587 PolarHBondContact O-N 3.1Å; I585-V588 WeakPolarHBondContact O-CB 3.46Å; I585-V588 PolarHBondContact O-N 3.32Å
586M93.2Very high93.5Very high129 Ų12956.7 Ų56.764%0.63529%0.293SS*.Hα-helixtrans-63.5-26.4174.2-73-177.370.900112.9E582 S583 Q584 P590E582-M586 HydrophobicContact CG-SD 4.39Å; E582-M586 WeakPolarHBondContact O-CG 3.07Å; E582-M586 PolarHBondContact O-N 3.16Å; S583-M586 WeakPolarHBondContact O-CB 3.43Å; S583-M586 PolarHBondContact O-N 3Å; Q584-M586 VanDerWaalsContact C-N 3.3Å; Q584-M586 PolarHBondContact O-N 2.94Å; M586-P590 WeakPolarHBondContact O-CD 3.49Å; M586-P590 WeakPolarHBondContact O-CG 3.31Å
587Q95.1Very high93.8Very high95 Ų9555.7 Ų55.744%0.44430%0.295SS..Hα-helixtrans-81.2-24.7175-65.5169.413.800113.4I477 S583 Q584 I585 N589 P590 R591I477-Q587 HydrophobicContact CD1-CB 3.74Å; S583-Q587 WeakPolarHBondContact O-CG 3.44Å; S583-Q587 PolarHBondContact O-N 3.42Å; S583-Q587 VanDerWaalsContact O-N 3.14Å; Q584-Q587 WeakPolarHBondContact O-CB 3.31Å; Q584-Q587 PolarHBondContact O-N 3.47Å; I585-Q587 PolarHBondContact O-N 3.1Å; Q587-N589 PolarHBondContact O-N 3.12Å; Q587-P590 WeakPolarHBondContact O-CD 3.5Å; Q587-R591 WeakPolarHBondContact O-CB 3.35Å; Q587-R591 PolarHBondContact O-N 3.29Å; Q587-R591 VanDerWaalsContact O-N 3.15Å
588V95.7Very high94.5Very high1 Ų158.8 Ų58.81%0.00631%0.306CS..Hα-helixtrans-59.7-48.5179.61700000111.5I477 L564 I567 M580 Q584 I585 R591 V592I477-V588 HydrophobicContact CG2-CG2 4.28Å; L564-V588 HydrophobicContact CB-CG1 4.08Å; L564-V588 HydrophobicContact CD2-CG1 4.09Å; L564-V588 HydrophobicContact CD2-CG2 4.08Å; L564-V588 VanDerWaalsContact O-CG1 3.28Å; L564-V588 WeakPolarHBondContact O-CG1 3.41Å; I567-V588 HydrophobicContact CB-CG1 4.41Å; I567-V588 HydrophobicContact CG2-CG1 4.25Å; I567-V588 HydrophobicContact CG2-CG2 3.98Å; M580-V588 HydrophobicContact CE-CG2 3.91Å; Q584-V588 WeakPolarHBondContact O-CG2 3.5Å; Q584-V588 PolarHBondContact O-N 3.25Å; Q584-V588 VanDerWaalsContact O-N 3.15Å; I585-V588 WeakPolarHBondContact O-CB 3.46Å; I585-V588 PolarHBondContact O-N 3.32Å; V588-R591 PolarHBondContact O-N 3.01Å; V588-V592 HydrophobicContact CG1-CG2 4.36Å; V588-V592 WeakPolarHBondContact O-CG2 3.48Å; V588-V592 PolarHBondContact O-N 2.98Å
589N93.6Very high95Very high68 Ų6853 Ų5336%0.36428%0.276SS..Hα-helixtrans-65.6-45.1-175.8-76.3-31.7000113.9S568 Q587 R591 V592 K593S568-N589 WeakPolarHBondContact CB-OD1 3.41Å; S568-N589 PolarHBondContact OG-OD1 3.09Å; Q587-N589 PolarHBondContact O-N 3.12Å; N589-R591 VanDerWaalsContact C-N 3.32Å; N589-R591 PolarHBondContact O-N 3.29Å; N589-V592 PolarHBondContact O-N 3.22Å; N589-K593 WeakPolarHBondContact O-CG 3.28Å; N589-K593 PolarHBondContact O-N 2.87Å; N589-K593 VanDerWaalsContact O-N 3.11Å
590P97.3Very high95.5Very high63 Ų6353.8 Ų53.841%0.40928%0.277SS..Hα-helixtrans-54-46.7168.3-28.134.9000112.4M586 Q587 V592 K593 E594M586-P590 WeakPolarHBondContact O-CD 3.49Å; M586-P590 WeakPolarHBondContact O-CG 3.31Å; Q587-P590 WeakPolarHBondContact O-CD 3.5Å; P590-V592 VanDerWaalsContact C-N 3.34Å; P590-V592 PolarHBondContact O-N 2.67Å; P590-K593 WeakPolarHBondContact O-CB 3.43Å; P590-K593 PolarHBondContact O-N 3.35Å; P590-E594 WeakPolarHBondContact O-CG 3.26Å; P590-E594 PolarHBondContact O-N 3.06Å
591R97.8Very high95.8Very high39 Ų3955.7 Ų55.715%0.14729%0.292CS..Hα-helixtrans-63.9-38-179.8-173.459.7-177.5137.68.6112.9I477 N478 L564 Q587 V588 N589 K593 E594 L595I477-R591 HydrophobicContact CD1-CB 4.07Å; I477-R591 HydrophobicContact CD1-CG 4.35Å; N478-R591 PolarHBondContact OD1-NE 3.46Å; L564-R591 HydrophobicContact CD1-CB 4.17Å; L564-R591 HydrophobicContact CD1-CG 3.55Å; Q587-R591 WeakPolarHBondContact O-CB 3.35Å; Q587-R591 PolarHBondContact O-N 3.29Å; Q587-R591 VanDerWaalsContact O-N 3.15Å; V588-R591 PolarHBondContact O-N 3.01Å; N589-R591 VanDerWaalsContact C-N 3.32Å; N589-R591 PolarHBondContact O-N 3.29Å; R591-K593 VanDerWaalsContact C-N 3.35Å; R591-K593 PolarHBondContact O-N 3.05Å; R591-E594 VanDerWaalsContact CD-OE2 3.27Å; R591-E594 WeakPolarHBondContact CD-OE2 3.4Å; R591-E594 IonicContact CZ-OE2 3.94Å; R591-E594 IonicContact NE-OE2 2.84Å; R591-E594 IonicContact NH1-OE2 3.98Å; R591-E594 PolarHBondContact NH1-OE2 3.26Å; R591-E594 PolarHBondContact O-N 3.36Å; R591-L595 HydrophobicContact CG-CD1 4.33Å; R591-L595 WeakPolarHBondContact O-CG 3.49Å; R591-L595 PolarHBondContact O-N 3.11Å
592V98.3Very high96.2Very high1 Ų153 Ų531%0.00628%0.275CS..Hα-helixtrans-57.2-49171.2166.90000110.2Y329 L561 L564 V588 N589 P590 E594 L595 L596Y329-V592 HydrophobicContact CD2-CG1 4.2Å; Y329-V592 HydrophobicContact CE2-CG1 4Å; L561-V592 HydrophobicContact CD1-CG1 3.88Å; L564-V592 HydrophobicContact CB-CG2 3.68Å; V588-V592 HydrophobicContact CG1-CG2 4.36Å; V588-V592 WeakPolarHBondContact O-CG2 3.48Å; V588-V592 PolarHBondContact O-N 2.98Å; N589-V592 PolarHBondContact O-N 3.22Å; P590-V592 VanDerWaalsContact C-N 3.34Å; P590-V592 PolarHBondContact O-N 2.67Å; V592-E594 VanDerWaalsContact C-N 3.34Å; V592-E594 PolarHBondContact O-N 2.92Å; V592-L595 WeakPolarHBondContact O-CB 3.42Å; V592-L595 PolarHBondContact O-N 3.43Å; V592-L596 WeakPolarHBondContact O-CG 3.25Å; V592-L596 PolarHBondContact O-N 3.47Å
593K98.1Very high96.5Very high103 Ų10346.1 Ų46.145%0.44824%0.243SC..Hα-helixtrans-63.1-37.5-180-68.9175.4-179.7-174.90112.9N589 P590 R591 L596 T597N589-K593 WeakPolarHBondContact O-CG 3.28Å; N589-K593 PolarHBondContact O-N 2.87Å; N589-K593 VanDerWaalsContact O-N 3.11Å; P590-K593 WeakPolarHBondContact O-CB 3.43Å; P590-K593 PolarHBondContact O-N 3.35Å; R591-K593 VanDerWaalsContact C-N 3.35Å; R591-K593 PolarHBondContact O-N 3.05Å; K593-L596 WeakPolarHBondContact O-CB 3.37Å; K593-L596 PolarHBondContact O-N 3.39Å; K593-T597 PolarHBondContact O-N 3.5Å; K593-T597 PolarHBondContact O-OG1 2.99Å
594E98.4Very high96.9Very high101 Ų10142.7 Ų42.747%0.47222%0.219SC..Hα-helixtrans-62.7-45.5172.9-69.8169-16600111.8P590 R591 V592 L596 T597 L598P590-E594 WeakPolarHBondContact O-CG 3.26Å; P590-E594 PolarHBondContact O-N 3.06Å; R591-E594 VanDerWaalsContact CD-OE2 3.27Å; R591-E594 WeakPolarHBondContact CD-OE2 3.4Å; R591-E594 IonicContact CZ-OE2 3.94Å; R591-E594 IonicContact NE-OE2 2.84Å; R591-E594 IonicContact NH1-OE2 3.98Å; R591-E594 PolarHBondContact NH1-OE2 3.26Å; R591-E594 PolarHBondContact O-N 3.36Å; V592-E594 VanDerWaalsContact C-N 3.34Å; V592-E594 PolarHBondContact O-N 2.92Å; E594-L596 VanDerWaalsContact C-N 3.25Å; E594-L596 PolarHBondContact O-N 3.14Å; E594-T597 WeakPolarHBondContact O-CB 3.26Å; E594-T597 PolarHBondContact O-N 3.35Å; E594-T597 VanDerWaalsContact O-N 3.14Å; E594-L598 WeakPolarHBondContact O-CG 3.34Å; E594-L598 PolarHBondContact O-N 3.48Å
595L98.7Very high97.3Very high0 Ų041.9 Ų41.90%022%0.215CC..Hα-helixtrans-61.2-35.1177-74164.8000111.8N557 L560 L561 L564 R591 V592 T597 L598 I599N557-L595 HydrophobicContact CB-CD2 4.13Å; L560-L595 HydrophobicContact CB-CD1 3.82Å; L560-L595 HydrophobicContact CB-CD2 4.33Å; L560-L595 HydrophobicContact CD1-CD2 4.49Å; L561-L595 HydrophobicContact CB-CB 4.47Å; L561-L595 HydrophobicContact CB-CD1 4.3Å; L561-L595 HydrophobicContact CD1-CB 4.34Å; L564-L595 HydrophobicContact CD1-CD1 3.72Å; R591-L595 HydrophobicContact CG-CD1 4.33Å; R591-L595 WeakPolarHBondContact O-CG 3.49Å; R591-L595 PolarHBondContact O-N 3.11Å; V592-L595 WeakPolarHBondContact O-CB 3.42Å; V592-L595 PolarHBondContact O-N 3.43Å; L595-T597 VanDerWaalsContact C-N 3.34Å; L595-T597 PolarHBondContact O-N 3Å; L595-L598 HydrophobicContact CD2-CD1 4.32Å; L595-L598 PolarHBondContact O-N 3.36Å; L595-I599 HydrophobicContact CB-CD1 4.46Å; L595-I599 WeakPolarHBondContact O-CB 3.33Å; L595-I599 WeakPolarHBondContact O-CD1 3.45Å; L595-I599 VanDerWaalsContact O-CG1 3.26Å; L595-I599 WeakPolarHBondContact O-CG1 3.37Å; L595-I599 PolarHBondContact O-N 3.42Å
596L98.8Very high97.6Very high0 Ų040.8 Ų40.80%021%0.21CC..Hα-helixtrans-58.3-47.2173.8-62.3-179.1000111.6Q325 Q328 Y329 F332 L561 V592 K593 E594 L598 I599 R600Q325-L596 HydrophobicContact CG-CD1 4.1Å; Q328-L596 HydrophobicContact CB-CB 4.06Å; Q328-L596 HydrophobicContact CB-CD1 4.11Å; Q328-L596 HydrophobicContact CB-CD2 4.3Å; Q328-L596 HydrophobicContact CB-CG 4.38Å; Y329-L596 HydrophobicContact CD2-CD1 4.09Å; Y329-L596 HydrophobicContact CG-CD1 4.47Å; F332-L596 HydrophobicContact CB-CD2 3.79Å; F332-L596 HydrophobicContact CD2-CB 4.27Å; F332-L596 HydrophobicContact CD2-CD2 3.85Å; F332-L596 VanDerWaalsContact CE2-O 3.31Å; F332-L596 WeakPolarHBondContact CE2-O 3.22Å; F332-L596 HydrophobicContact CG-CD2 4.27Å; L561-L596 HydrophobicContact CD1-CD2 4.16Å; L561-L596 HydrophobicContact CD2-CD2 4.18Å; V592-L596 WeakPolarHBondContact O-CG 3.25Å; V592-L596 PolarHBondContact O-N 3.47Å; K593-L596 WeakPolarHBondContact O-CB 3.37Å; K593-L596 PolarHBondContact O-N 3.39Å; E594-L596 VanDerWaalsContact C-N 3.25Å; E594-L596 PolarHBondContact O-N 3.14Å; L596-L598 PolarHBondContact O-N 3.36Å; L596-I599 PolarHBondContact O-N 3.34Å; L596-R600 PolarHBondContact O-N 2.88Å
597T98.1Very high97.9Very high92 Ų9234.7 Ų34.756%0.56418%0.18SC*.Hα-helixtrans-64.2-39.8177.2-530000111.8K593 E594 L595 R600K593-T597 PolarHBondContact O-N 3.5Å; K593-T597 PolarHBondContact O-OG1 2.99Å; E594-T597 WeakPolarHBondContact O-CB 3.26Å; E594-T597 PolarHBondContact O-N 3.35Å; E594-T597 VanDerWaalsContact O-N 3.14Å; L595-T597 VanDerWaalsContact C-N 3.34Å; L595-T597 PolarHBondContact O-N 3Å; T597-R600 WeakPolarHBondContact O-CB 3.47Å; T597-R600 PolarHBondContact O-N 3.26Å
598L98.1Very high98.1Very high83 Ų8330.9 Ų30.944%0.43516%0.162SC..Hα-helixtrans-66-36.3178.1-69.1172.7000112.6E594 L595 L596E594-L598 WeakPolarHBondContact O-CG 3.34Å; E594-L598 PolarHBondContact O-N 3.48Å; L595-L598 HydrophobicContact CD2-CD1 4.32Å; L595-L598 PolarHBondContact O-N 3.36Å; L596-L598 PolarHBondContact O-N 3.36Å
599I98.7Very high98.2Very high0 Ų030.8 Ų30.80%016%0.162CC..Hα-helixtrans-80.1-21.7-179.5-68.4159.7000111.6F332 N557 L558 L561 L595 L596 S601 D602 A603 L606F332-I599 HydrophobicContact CB-CG2 4.45Å; F332-I599 HydrophobicContact CD1-CG2 4.42Å; F332-I599 HydrophobicContact CD2-CB 4.13Å; F332-I599 HydrophobicContact CD2-CG2 3.95Å; F332-I599 HydrophobicContact CE2-CB 4.43Å; F332-I599 HydrophobicContact CE2-CG2 4.27Å; F332-I599 HydrophobicContact CG-CG2 4.05Å; N557-I599 HydrophobicContact CB-CD1 4.24Å; N557-I599 HydrophobicContact CB-CG1 3.99Å; L558-I599 HydrophobicContact CD2-CD1 4Å; L558-I599 HydrophobicContact CD2-CG1 4.49Å; L558-I599 HydrophobicContact CD2-CG2 4.38Å; L561-I599 HydrophobicContact CB-CD1 4.12Å; L561-I599 HydrophobicContact CD2-CD1 3.53Å; L561-I599 HydrophobicContact CG-CD1 4.42Å; L595-I599 HydrophobicContact CB-CD1 4.46Å; L595-I599 WeakPolarHBondContact O-CB 3.33Å; L595-I599 WeakPolarHBondContact O-CD1 3.45Å; L595-I599 VanDerWaalsContact O-CG1 3.26Å; L595-I599 WeakPolarHBondContact O-CG1 3.37Å; L595-I599 PolarHBondContact O-N 3.42Å; L596-I599 PolarHBondContact O-N 3.34Å; I599-S601 VanDerWaalsContact C-N 3.33Å; I599-S601 PolarHBondContact O-N 3.28Å; I599-D602 CarbonylContact O-C 3.57Å; I599-D602 PolarHBondContact O-N 2.84Å; I599-A603 PolarHBondContact O-N 3.43Å; I599-L606 HydrophobicContact CG2-CD1 4.08Å
600R98.6Very high98.4Very high27 Ų2728.3 Ų28.310%0.10215%0.148CC..Hα-helixtrans-53.2-43.7-173172.960.4-172.783.6-1.4113.7E8 L322 D323 F332 L596 T597 D602E8-R600 IonicContact OE1-CZ 2.61Å; E8-R600 IonicContact OE1-NH1 3.06Å; E8-R600 PolarHBondContact OE1-NH1 2.99Å; E8-R600 VanDerWaalsContact OE1-NH1 3.07Å; E8-R600 IonicContact OE1-NH2 3.58Å; E8-R600 PolarHBondContact OE1-NH2 3.04Å; E8-R600 IonicContact OE2-CZ 3.32Å; E8-R600 IonicContact OE2-NH1 3.26Å; E8-R600 PolarHBondContact OE2-NH1 3.2Å; E8-R600 IonicContact OE2-NH2 2.74Å; L322-R600 WeakPolarHBondContact O-CD 3.29Å; L322-R600 PolarHBondContact O-NE 2.82Å; D323-R600 IonicContact OD1-CZ 2.67Å; D323-R600 IonicContact OD1-NE 3.24Å; D323-R600 PolarHBondContact OD1-NE 3.28Å; D323-R600 IonicContact OD1-NH2 3.95Å; D323-R600 PolarHBondContact OD1-NH2 3.01Å; F332-R600 HydrophobicContact CE2-CB 4.16Å; F332-R600 HydrophobicContact CZ-CB 4.44Å; L596-R600 PolarHBondContact O-N 2.88Å; T597-R600 WeakPolarHBondContact O-CB 3.47Å; T597-R600 PolarHBondContact O-N 3.26Å; R600-D602 VanDerWaalsContact C-N 3.27Å; R600-D602 PolarHBondContact O-N 3.23Å
601S97.7Very high98.4Very high47 Ų4726.4 Ų26.433%0.32914%0.135SC..THydrogen-bonded Turntrans-72.7-20-179.551.50000113.8S11 I599S11-S601 PolarHBondContact OG-O 2.98Å; I599-S601 VanDerWaalsContact C-N 3.33Å; I599-S601 PolarHBondContact O-N 3.28Å
602D98.8Very high98.3Very high6 Ų626 Ų263%0.03213%0.134CC..THydrogen-bonded Turntrans-102.1-8-177-76.4-34000112.7A12 S13 F14 V554 I599 R600 V604 A605 L606A12-D602 WeakPolarHBondContact CA-OD1 3.36Å; S13-D602 PolarHBondContact N-OD1 3.31Å; S13-D602 VanDerWaalsContact OG-CG 3.26Å; S13-D602 PolarHBondContact OG-OD1 3.02Å; S13-D602 VanDerWaalsContact OG-OD1 3.05Å; S13-D602 PolarHBondContact OG-OD2 3.06Å; F14-D602 HydrophobicContact CD1-CB 4.47Å; F14-D602 HydrophobicContact CE1-CB 3.93Å; V554-D602 HydrophobicContact CG2-CB 4.02Å; I599-D602 CarbonylContact O-C 3.57Å; I599-D602 PolarHBondContact O-N 2.84Å; R600-D602 VanDerWaalsContact C-N 3.27Å; R600-D602 PolarHBondContact O-N 3.23Å; D602-V604 PolarHBondContact O-N 3.46Å; D602-A605 PolarHBondContact O-N 2.95Å; D602-L606 HydrophobicContact CB-CD1 4.15Å; D602-L606 HydrophobicContact CB-CG 4.42Å; D602-L606 WeakPolarHBondContact O-CB 3.18Å; D602-L606 VanDerWaalsContact O-CG 3.31Å; D602-L606 WeakPolarHBondContact O-CG 2.95Å; D602-L606 PolarHBondContact O-N 3.42Å
603A98.8Very high98.1Very high0 Ų028.6 Ų28.60%015%0.146CC..Hα-helixtrans-58.4-42.9-168.700000113.4I301 L322 F332 I599 V607I301-A603 HydrophobicContact CG2-CB 3.95Å; L322-A603 HydrophobicContact CD2-CB 4.31Å; F332-A603 HydrophobicContact CD1-CB 4.48Å; F332-A603 HydrophobicContact CE1-CB 3.53Å; F332-A603 HydrophobicContact CZ-CB 3.73Å; I599-A603 PolarHBondContact O-N 3.43Å; A603-V607 PolarHBondContact O-N 3.07Å
604V98.9Very high97.9Very high0 Ų025.7 Ų25.70%014%0.135CC..Hα-helixtrans-70.2-44.4178.3175.70000111.2L5 E8 R9 I301 A305 D602 L606 V607 D608L5-V604 HydrophobicContact CD2-CG1 4.1Å; L5-V604 HydrophobicContact CD2-CG2 4.07Å; E8-V604 HydrophobicContact CB-CB 3.77Å; E8-V604 HydrophobicContact CB-CG1 4.27Å; E8-V604 HydrophobicContact CB-CG2 3.51Å; E8-V604 HydrophobicContact CG-CG2 3.85Å; R9-V604 HydrophobicContact CG-CG1 4.02Å; I301-V604 HydrophobicContact CG2-CG2 4.42Å; A305-V604 HydrophobicContact CB-CG2 3.98Å; D602-V604 PolarHBondContact O-N 3.46Å; V604-L606 VanDerWaalsContact C-N 3.3Å; V604-L606 PolarHBondContact O-N 3.32Å; V604-V607 WeakPolarHBondContact O-CG2 3.4Å; V604-V607 PolarHBondContact O-N 3.03Å; V604-D608 WeakPolarHBondContact O-CB 3.38Å; V604-D608 VanDerWaalsContact O-CG 3.3Å; V604-D608 PolarHBondContact O-N 3.39Å
605A98.8Very high97.5Very high2 Ų223.7 Ų23.72%0.01713%0.13CC..Hα-helixtrans-62.9-36.6177.700000112.4A12 F14 P16 D602 D608 A609A12-A605 HydrophobicContact CB-CB 3.5Å; F14-A605 HydrophobicContact CE1-CB 3.93Å; F14-A605 HydrophobicContact CZ-CB 3.81Å; P16-A605 WeakPolarHBondContact CB-O 3.34Å; D602-A605 PolarHBondContact O-N 2.95Å; A605-D608 PolarHBondContact O-N 3.19Å; A605-A609 PolarHBondContact O-N 3.11Å
606L98.9Very high97Very high0 Ų024.5 Ų24.50%014%0.135CC..Hα-helixtrans-61.4-45.5174-75.8167.2000111.4F14 L19 L335 Y339 V554 L558 I599 D602 V604 A609F14-L606 HydrophobicContact CE1-CD2 4.06Å; F14-L606 HydrophobicContact CE1-CG 3.97Å; F14-L606 HydrophobicContact CE2-CD2 4.45Å; F14-L606 HydrophobicContact CZ-CB 4.44Å; F14-L606 HydrophobicContact CZ-CD2 3.64Å; F14-L606 HydrophobicContact CZ-CG 3.77Å; L19-L606 HydrophobicContact CD2-CD2 3.9Å; L335-L606 HydrophobicContact CD1-CB 4.47Å; L335-L606 HydrophobicContact CD2-CB 3.93Å; L335-L606 HydrophobicContact CD2-CD1 3.78Å; Y339-L606 HydrophobicContact CE2-CB 4.37Å; Y339-L606 HydrophobicContact CE2-CD2 4.09Å; Y339-L606 PolarHBondContact OH-O 3.36Å; V554-L606 HydrophobicContact CG1-CD2 4.19Å; V554-L606 HydrophobicContact CG2-CD1 3.92Å; V554-L606 HydrophobicContact CG2-CD2 3.84Å; V554-L606 HydrophobicContact CG2-CG 4.14Å; L558-L606 HydrophobicContact CD1-CD1 4.15Å; L558-L606 HydrophobicContact CD1-CD2 3.9Å; L558-L606 HydrophobicContact CD2-CD1 4.3Å; L558-L606 HydrophobicContact CG-CD1 4.46Å; I599-L606 HydrophobicContact CG2-CD1 4.08Å; D602-L606 HydrophobicContact CB-CD1 4.15Å; D602-L606 HydrophobicContact CB-CG 4.42Å; D602-L606 WeakPolarHBondContact O-CB 3.18Å; D602-L606 VanDerWaalsContact O-CG 3.31Å; D602-L606 WeakPolarHBondContact O-CG 2.95Å; D602-L606 PolarHBondContact O-N 3.42Å; V604-L606 VanDerWaalsContact C-N 3.3Å; V604-L606 PolarHBondContact O-N 3.32Å; L606-A609 WeakPolarHBondContact O-CB 3.47Å; L606-A609 PolarHBondContact O-N 2.88Å
607V98.8Very high96.7Very high0 Ų024.5 Ų24.50%014%0.135CC..Hα-helixtrans-74.3-27.3177.1-630000113.6T298 I301 R302 L335 A603 V604 A609 F610T298-V607 HydrophobicContact CG2-CB 4.12Å; T298-V607 HydrophobicContact CG2-CG2 4.36Å; I301-V607 HydrophobicContact CB-CG1 4.06Å; I301-V607 HydrophobicContact CB-CG2 4.35Å; I301-V607 HydrophobicContact CD1-CG1 3.59Å; I301-V607 HydrophobicContact CG1-CG1 4.36Å; I301-V607 HydrophobicContact CG2-CG1 4.28Å; I301-V607 HydrophobicContact CG2-CG2 4.11Å; R302-V607 HydrophobicContact CG-CG2 4.13Å; L335-V607 HydrophobicContact CD1-CG1 3.74Å; A603-V607 PolarHBondContact O-N 3.07Å; V604-V607 WeakPolarHBondContact O-CG2 3.4Å; V604-V607 PolarHBondContact O-N 3.03Å; V607-A609 VanDerWaalsContact C-N 3.3Å; V607-F610 HydrophobicContact CB-CD2 4.37Å; V607-F610 HydrophobicContact CG1-CE2 4.38Å; V607-F610 PolarHBondContact O-N 2.77Å
608D98.8Very high96.5Very high15 Ų1521.6 Ų21.68%0.0812%0.123CC..Hα-helixtrans-68-31.4173-74.9-11.5000112R9 R302 V604 A605 F610 D611R9-D608 IonicContact CZ-OD2 3.54Å; R9-D608 VanDerWaalsContact CZ-OD2 3.27Å; R9-D608 IonicContact NE-OD2 2.62Å; R9-D608 PolarHBondContact NE-OD2 3.5Å; R9-D608 IonicContact NH2-OD1 2.68Å; R9-D608 PolarHBondContact NH2-OD1 3.15Å; R9-D608 IonicContact NH2-OD2 3.25Å; R9-D608 PolarHBondContact NH2-OD2 3.07Å; R302-D608 IonicContact CZ-OD1 3.62Å; R302-D608 VanDerWaalsContact CZ-OD1 3.23Å; R302-D608 IonicContact NE-OD1 3.55Å; R302-D608 PolarHBondContact NE-OD1 2.99Å; R302-D608 IonicContact NH2-OD1 3Å; R302-D608 PolarHBondContact NH2-OD1 3.45Å; V604-D608 WeakPolarHBondContact O-CB 3.38Å; V604-D608 VanDerWaalsContact O-CG 3.3Å; V604-D608 PolarHBondContact O-N 3.39Å; A605-D608 PolarHBondContact O-N 3.19Å; D608-F610 PolarHBondContact O-N 3.1Å; D608-D611 WeakPolarHBondContact O-CA 3.38Å; D608-D611 PolarHBondContact O-N 2.94Å
609A98.7Very high96.5Very high0 Ų018 Ų180%011%0.105CC..THydrogen-bonded Turntrans-65.4-13.7175.300000114.2P16 L19 T20 L23 A605 L606 V607 D611P16-A609 HydrophobicContact CB-CB 3.97Å; L19-A609 HydrophobicContact CB-CB 3.8Å; L19-A609 HydrophobicContact CD2-CB 3.8Å; L19-A609 HydrophobicContact CG-CB 3.82Å; T20-A609 PolarHBondContact OG1-O 3.36Å; T20-A609 VanDerWaalsContact OG1-O 3.08Å; L23-A609 WeakPolarHBondContact CD1-O 3.43Å; A605-A609 PolarHBondContact O-N 3.11Å; L606-A609 WeakPolarHBondContact O-CB 3.47Å; L606-A609 PolarHBondContact O-N 2.88Å; V607-A609 VanDerWaalsContact C-N 3.3Å; A609-D611 PolarHBondContact O-N 3.48Å
610F98.4Very high96.4Very high15 Ų1518.9 Ų18.97%0.06611%0.11CC..THydrogen-bonded Turntrans-73-11.8168.5-64.7-53.2000113.1L23 S294 L335 A338 Y339 V607 D608 F612L23-F610 HydrophobicContact CD1-CD1 3.76Å; L23-F610 HydrophobicContact CD1-CE1 4.18Å; S294-F610 WeakPolarHBondContact OG-CE1 3.37Å; S294-F610 WeakPolarHBondContact OG-CZ 3.49Å; L335-F610 HydrophobicContact CD1-CE2 3.88Å; L335-F610 HydrophobicContact CD1-CZ 4.19Å; A338-F610 HydrophobicContact CB-CZ 4.13Å; Y339-F610 HydrophobicContact CD1-CE1 4.38Å; Y339-F610 HydrophobicContact CD2-CE1 4.35Å; Y339-F610 AromaticContact CD2-CZ 3.87Å; Y339-F610 HydrophobicContact CD2-CZ 3.87Å; Y339-F610 AromaticContact CE1-CE1 3.99Å; Y339-F610 HydrophobicContact CE1-CE1 3.99Å; Y339-F610 HydrophobicContact CE1-CZ 4.35Å; Y339-F610 AromaticContact CE2-CE1 3.97Å; Y339-F610 HydrophobicContact CE2-CE1 3.97Å; Y339-F610 HydrophobicContact CE2-CE2 4.22Å; Y339-F610 AromaticContact CE2-CZ 3.48Å; Y339-F610 HydrophobicContact CE2-CZ 3.48Å; Y339-F610 VanDerWaalsContact CE2-CZ 3.48Å; Y339-F610 HydrophobicContact CG-CZ 4.47Å; Y339-F610 AromaticContact CZ-CE1 3.78Å; Y339-F610 AromaticContact CZ-CZ 3.75Å; V607-F610 HydrophobicContact CB-CD2 4.37Å; V607-F610 HydrophobicContact CG1-CE2 4.38Å; V607-F610 PolarHBondContact O-N 2.77Å; D608-F610 PolarHBondContact O-N 3.1Å; F610-F612 HydrophobicContact CB-CD2 3.63Å; F610-F612 HydrophobicContact CB-CE2 3.41Å; F610-F612 VanDerWaalsContact CB-CE2 3.41Å; F610-F612 HydrophobicContact CB-CG 4.37Å; F610-F612 HydrophobicContact CB-CZ 3.99Å; F610-F612 HydrophobicContact CD2-CE2 4.25Å; F610-F612 AromaticContact CG-CE2 3.94Å; F610-F612 HydrophobicContact CG-CE2 3.94Å; F610-F612 PolarHBondContact O-N 3.15Å; F610-F612 VanDerWaalsContact O-N 3.16Å
611D97.6Very high96.4Very high24 Ų2417.7 Ų17.713%0.12811%0.106CC..  trans5634.2172-162.350.5000114T20 R33 R34 D608 A609 Q613T20-D611 HydrophobicContact CG2-CB 3.73Å; R33-D611 IonicContact CZ-OD2 2.91Å; R33-D611 VanDerWaalsContact CZ-OD2 3.26Å; R33-D611 IonicContact NH1-OD2 3.44Å; R33-D611 PolarHBondContact NH1-OD2 2.91Å; R33-D611 IonicContact NH2-OD2 3.73Å; R33-D611 PolarHBondContact NH2-OD2 2.61Å; R34-D611 IonicContact CZ-OD1 3.45Å; R34-D611 IonicContact CZ-OD2 2.82Å; R34-D611 IonicContact NE-OD1 3.15Å; R34-D611 PolarHBondContact NE-OD1 2.95Å; R34-D611 IonicContact NE-OD2 2.64Å; R34-D611 PolarHBondContact NE-OD2 3.48Å; R34-D611 VanDerWaalsContact NH2-CG 3.3Å; R34-D611 IonicContact NH2-OD1 3.55Å; R34-D611 PolarHBondContact NH2-OD1 3.34Å; R34-D611 IonicContact NH2-OD2 3.15Å; R34-D611 PolarHBondContact NH2-OD2 3.22Å; D608-D611 WeakPolarHBondContact O-CA 3.38Å; D608-D611 PolarHBondContact O-N 2.94Å; A609-D611 PolarHBondContact O-N 3.48Å; D611-Q613 PolarHBondContact O-N 2.97Å
612F95.6Very high96.5Very high31 Ų3115.4 Ų15.414%0.1369%0.09CC..  trans-78.1124.1176.1-62.7-52.7000111.7R291 K295 F610 T616 L617R291-F612 HydrophobicContact CG-CE1 4.27Å; R291-F612 HydrophobicContact CG-CZ 4.28Å; K295-F612 HydrophobicContact CB-CE2 4.37Å; K295-F612 HydrophobicContact CG-CD1 4.35Å; K295-F612 HydrophobicContact CG-CD2 4.04Å; K295-F612 HydrophobicContact CG-CE1 4.07Å; K295-F612 HydrophobicContact CG-CE2 3.71Å; K295-F612 HydrophobicContact CG-CG 4.35Å; K295-F612 HydrophobicContact CG-CZ 3.73Å; F610-F612 HydrophobicContact CB-CD2 3.63Å; F610-F612 HydrophobicContact CB-CE2 3.41Å; F610-F612 VanDerWaalsContact CB-CE2 3.41Å; F610-F612 HydrophobicContact CB-CG 4.37Å; F610-F612 HydrophobicContact CB-CZ 3.99Å; F610-F612 HydrophobicContact CD2-CE2 4.25Å; F610-F612 AromaticContact CG-CE2 3.94Å; F610-F612 HydrophobicContact CG-CE2 3.94Å; F610-F612 PolarHBondContact O-N 3.15Å; F610-F612 VanDerWaalsContact O-N 3.16Å; F612-T616 HydrophobicContact CD1-CG2 4.19Å; F612-L617 HydrophobicContact CB-CD1 4.35Å; F612-L617 HydrophobicContact CB-CD2 3.77Å; F612-L617 HydrophobicContact CB-CG 3.89Å; F612-L617 HydrophobicContact CD2-CD2 3.94Å; F612-L617 HydrophobicContact CG-CD2 4.04Å
613Q93.2Very high96.4Very high55 Ų5518 Ų1826%0.25710%0.1SC..  trans-65.5150.8168.1-51.7-59-27.600111.6E37 L41 D611 V615 T616 L617E37-Q613 WeakPolarHBondContact OE2-CG 3.49Å; E37-Q613 PolarHBondContact OE2-NE2 3.44Å; L41-Q613 HydrophobicContact CD1-CG 4.17Å; D611-Q613 PolarHBondContact O-N 2.97Å; Q613-V615 VanDerWaalsContact C-N 3.26Å; Q613-V615 HydrophobicContact CB-CG1 4.25Å; Q613-V615 PolarHBondContact O-N 3.33Å; Q613-T616 WeakPolarHBondContact O-CA 3.33Å; Q613-T616 VanDerWaalsContact O-CB 3.22Å; Q613-T616 WeakPolarHBondContact O-CB 3.43Å; Q613-T616 PolarHBondContact O-N 2.87Å; Q613-L617 PolarHBondContact O-N 3.5Å; Q613-L617 VanDerWaalsContact O-N 3.14Å
614D93.4Very high96.4Very high41 Ų4123.6 Ų23.622%0.21912%0.121CC..Hα-helixtrans-56.9-38.5179.7-80.4-4000112.4T616 L617 G618 R623 Y624D614-T616 VanDerWaalsContact C-N 3.26Å; D614-T616 PolarHBondContact O-N 2.65Å; D614-L617 PolarHBondContact O-N 2.94Å; D614-G618 PolarHBondContact O-N 3.13Å; D614-R623 WeakPolarHBondContact OD1-CA 3.33Å; D614-R623 IonicContact OD2-CZ 3.56Å; D614-R623 IonicContact OD2-NH1 2.69Å; D614-R623 PolarHBondContact OD2-NH1 3.28Å; D614-R623 IonicContact OD2-NH2 2.66Å; D614-R623 PolarHBondContact OD2-NH2 2.84Å; D614-Y624 PolarHBondContact OD1-N 3.2Å
615V89.7Confident96.4Very high60 Ų6025.2 Ų25.236%0.36413%0.13SC..Hα-helixtrans-64-32.9176.174.40000112.2L41 L91 V94 Q613 G618L41-V615 HydrophobicContact CD2-CB 4.33Å; L41-V615 HydrophobicContact CD2-CG1 3.37Å; L91-V615 HydrophobicContact CD1-CG1 3.78Å; V94-V615 HydrophobicContact CG2-CG2 4.32Å; Q613-V615 VanDerWaalsContact C-N 3.26Å; Q613-V615 HydrophobicContact CB-CG1 4.25Å; Q613-V615 PolarHBondContact O-N 3.33Å; V615-G618 PolarHBondContact O-N 3.39Å
616T88.9Confident96.4Very high16 Ų1625.1 Ų25.110%0.09813%0.13CC..Hα-helixtrans-72.5-34.7-179.9-520000111.3L91 K295 F612 Q613 D614L91-T616 WeakPolarHBondContact CD1-OG1 3.48Å; K295-T616 VanDerWaalsContact NZ-CG2 3.33Å; K295-T616 PolarHBondContact NZ-O 3.22Å; F612-T616 HydrophobicContact CD1-CG2 4.19Å; Q613-T616 WeakPolarHBondContact O-CA 3.33Å; Q613-T616 VanDerWaalsContact O-CB 3.22Å; Q613-T616 WeakPolarHBondContact O-CB 3.43Å; Q613-T616 PolarHBondContact O-N 2.87Å; D614-T616 VanDerWaalsContact C-N 3.26Å; D614-T616 PolarHBondContact O-N 2.65Å
617L92.8Very high96.4Very high0 Ų027.7 Ų27.70%014%0.143CC..Hα-helixtrans-75.3-33.9173.6-64.7178.8000111.4K295 T298 I299 F612 Q613 D614 S619 G622K295-L617 HydrophobicContact CB-CD2 4.04Å; K295-L617 HydrophobicContact CG-CD2 3.99Å; T298-L617 HydrophobicContact CG2-CD1 3.87Å; T298-L617 HydrophobicContact CG2-CD2 4.33Å; I299-L617 HydrophobicContact CG1-CB 4.46Å; I299-L617 HydrophobicContact CG1-CD2 4.29Å; F612-L617 HydrophobicContact CB-CD1 4.35Å; F612-L617 HydrophobicContact CB-CD2 3.77Å; F612-L617 HydrophobicContact CB-CG 3.89Å; F612-L617 HydrophobicContact CD2-CD2 3.94Å; F612-L617 HydrophobicContact CG-CD2 4.04Å; Q613-L617 PolarHBondContact O-N 3.5Å; Q613-L617 VanDerWaalsContact O-N 3.14Å; D614-L617 PolarHBondContact O-N 2.94Å; L617-S619 PolarHBondContact O-N 3.03Å; L617-G622 WeakPolarHBondContact CD1-O 3.31Å
618G93.6Very high96.3Very high31 Ų3127.7 Ų27.732%0.3214%0.143SC..THydrogen-bonded Turntrans55.938.9-175.800000111.5G406 D614 V615G406-G618 WeakPolarHBondContact CA-O 3.43Å; D614-G618 PolarHBondContact O-N 3.13Å; V615-G618 PolarHBondContact O-N 3.39Å
619S97.4Very high96.3Very high8 Ų831.8 Ų31.86%0.05616%0.158CC..  trans-134.2123.2-168.1-1770000111.5I299 S405 L617 L621 G622 R623I299-S619 WeakPolarHBondContact CG2-OG 3.42Å; S405-S619 VanDerWaalsContact C-OG 3.29Å; S405-S619 WeakPolarHBondContact O-CB 3.5Å; S405-S619 PolarHBondContact O-OG 3.34Å; L617-S619 PolarHBondContact O-N 3.03Å; S619-L621 PolarHBondContact OG-N 3.15Å; S619-G622 PolarHBondContact OG-N 3.05Å; S619-R623 WeakPolarHBondContact O-CG 3.38Å
620V98.3Very high96.3Very high19 Ų1937.8 Ų37.812%0.11519%0.186CC..SBendtrans-69.9-36.5168.3176.10000111C404 R623 V628 N631 L632 W635C404-V620 HydrophobicContact CB-CB 4.43Å; C404-V620 HydrophobicContact CB-CG2 4.08Å; C404-V620 WeakPolarHBondContact O-CB 3.46Å; C404-V620 PolarHBondContact O-N 3.48Å; V620-R623 WeakPolarHBondContact O-CG 3.3Å; V620-V628 WeakPolarHBondContact CG1-O 3.49Å; V620-N631 HydrophobicContact CG1-CB 3.76Å; V620-L632 HydrophobicContact CG1-CB 4.1Å; V620-W635 HydrophobicContact CG2-CB 4.33Å; V620-W635 HydrophobicContact CG2-CG 4.42Å
621L98.6Very high96.3Very high1 Ų139.7 Ų39.71%0.00520%0.197CC..THydrogen-bonded Turntrans-73.1-32.8-177.9-55.9-168000112.4I299 Y303 C396 H399 S619 V628I299-L621 HydrophobicContact CG2-CB 4.17Å; Y303-L621 HydrophobicContact CD1-CD1 4.33Å; Y303-L621 HydrophobicContact CD2-CB 3.8Å; Y303-L621 HydrophobicContact CD2-CD1 4.24Å; Y303-L621 HydrophobicContact CD2-CD2 3.98Å; Y303-L621 HydrophobicContact CD2-CG 4.2Å; Y303-L621 HydrophobicContact CE1-CD1 4.41Å; Y303-L621 HydrophobicContact CE2-CD1 4.34Å; Y303-L621 HydrophobicContact CE2-CD2 3.84Å; Y303-L621 HydrophobicContact CE2-CG 4.44Å; Y303-L621 HydrophobicContact CG-CB 3.98Å; Y303-L621 HydrophobicContact CG-CD1 4.24Å; C396-L621 HydrophobicContact CB-CD1 4.21Å; H399-L621 HydrophobicContact CB-CD1 3.82Å; H399-L621 HydrophobicContact CB-CD2 4.13Å; S619-L621 PolarHBondContact OG-N 3.15Å; L621-V628 HydrophobicContact CD2-CG1 3.49Å; L621-V628 VanDerWaalsContact CD2-CG1 3.49Å
622G98.3Very high96.3Very high0 Ų040 Ų400%020%0.199CC..THydrogen-bonded Turntrans-95.912.4-176.700000115.2R302 L617 S619R302-G622 WeakPolarHBondContact CD-O 3.29Å; R302-G622 PolarHBondContact NH1-O 3.14Å; L617-G622 WeakPolarHBondContact CD1-O 3.31Å; S619-G622 PolarHBondContact OG-N 3.05Å
623R98.2Very high96.5Very high61 Ų6144.5 Ų44.523%0.2322%0.218CC..  trans-54.6140.3-178.8-71.4-179.161.870.68.5111.7D614 S619 V620 D625 G626D614-R623 WeakPolarHBondContact OD1-CA 3.33Å; D614-R623 IonicContact OD2-CZ 3.56Å; D614-R623 IonicContact OD2-NH1 2.69Å; D614-R623 PolarHBondContact OD2-NH1 3.28Å; D614-R623 IonicContact OD2-NH2 2.66Å; D614-R623 PolarHBondContact OD2-NH2 2.84Å; S619-R623 WeakPolarHBondContact O-CG 3.38Å; V620-R623 WeakPolarHBondContact O-CG 3.3Å; R623-D625 WeakPolarHBondContact CB-OD1 3.36Å; R623-D625 IonicContact CZ-OD2 2.85Å; R623-D625 IonicContact NE-OD1 3.1Å; R623-D625 PolarHBondContact NE-OD1 3.43Å; R623-D625 IonicContact NE-OD2 4Å; R623-D625 IonicContact NH2-OD1 3.61Å; R623-D625 IonicContact NH2-OD2 2.71Å; R623-D625 PolarHBondContact NH2-OD2 2.8Å; R623-D625 PolarHBondContact O-N 3.3Å; R623-G626 PolarHBondContact O-N 3.43Å; R623-G626 VanDerWaalsContact O-N 3.15Å
624Y98.4Very high96.7Very high117 Ų11745.9 Ų45.946%0.45923%0.225SC..THydrogen-bonded Turntrans-59.3-35.4179.7-175.3-91.8000112.5R9 D614R9-Y624 VanDerWaalsContact CZ-CZ 3.42Å; R9-Y624 VanDerWaalsContact CZ-O 3.27Å; R9-Y624 PolarHBondContact NH1-O 2.99Å; R9-Y624 PolarHBondContact NH2-O 3.07Å; D614-Y624 PolarHBondContact OD1-N 3.2Å
625D98.3Very high97Very high33 Ų3346.4 Ų46.418%0.17622%0.224CC..THydrogen-bonded Turntrans-79-14.5-179.461.621.7000114.3M1 N2 R623 N627M1-D625 CarbonylContact C-O 3.55Å; M1-D625 WeakPolarHBondContact CA-O 3.43Å; N2-D625 WeakPolarHBondContact CB-O 3.29Å; N2-D625 PolarHBondContact N-O 3.06Å; R623-D625 WeakPolarHBondContact CB-OD1 3.36Å; R623-D625 IonicContact CZ-OD2 2.85Å; R623-D625 IonicContact NE-OD1 3.1Å; R623-D625 PolarHBondContact NE-OD1 3.43Å; R623-D625 IonicContact NE-OD2 4Å; R623-D625 IonicContact NH2-OD1 3.61Å; R623-D625 IonicContact NH2-OD2 2.71Å; R623-D625 PolarHBondContact NH2-OD2 2.8Å; R623-D625 PolarHBondContact O-N 3.3Å; D625-N627 PolarHBondContact O-N 3.15Å; D625-N627 WeakPolarHBondContact OD1-CB 3.4Å; D625-N627 PolarHBondContact OD1-N 3.31Å
626G98.3Very high97.4Very high1 Ų145.3 Ų45.31%0.0122%0.221CC..  trans69.810.8-177.500000115.3N2 L5 R623 V628N2-G626 WeakPolarHBondContact CB-O 3.47Å; N2-G626 PolarHBondContact ND2-O 3.24Å; N2-G626 VanDerWaalsContact ND2-O 3.12Å; L5-G626 VanDerWaalsContact CD1-CA 3.47Å; R623-G626 PolarHBondContact O-N 3.43Å; R623-G626 VanDerWaalsContact O-N 3.15Å; G626-V628 PolarHBondContact O-N 3.21Å
627N98.4Very high97.8Very high53 Ų5348.7 Ų48.728%0.28323%0.234SC..  trans-81.170.3178.5-67.7-4.2000109.7N2 D625 N631N2-N627 PolarHBondContact N-OD1 2.91Å; D625-N627 PolarHBondContact O-N 3.15Å; D625-N627 WeakPolarHBondContact OD1-CB 3.4Å; D625-N627 PolarHBondContact OD1-N 3.31Å; N627-N631 PolarHBondContact O-ND2 3.05Å
628V98.6Very high98Very high1 Ų153.8 Ų53.81%0.00626%0.261CS..Hα-helixtrans-77.9-49.6-167.71750000112.5Y303 V306 V620 L621 G626 N631 L632Y303-V628 HydrophobicContact CD2-CG1 4.23Å; Y303-V628 HydrophobicContact CD2-CG2 4.37Å; Y303-V628 HydrophobicContact CE2-CG1 4.04Å; V306-V628 HydrophobicContact CB-CG2 4.37Å; V306-V628 HydrophobicContact CG1-CB 4.16Å; V306-V628 HydrophobicContact CG1-CG2 3.8Å; V306-V628 HydrophobicContact CG2-CG2 4.5Å; V620-V628 WeakPolarHBondContact CG1-O 3.49Å; L621-V628 HydrophobicContact CD2-CG1 3.49Å; L621-V628 VanDerWaalsContact CD2-CG1 3.49Å; G626-V628 PolarHBondContact O-N 3.21Å; V628-N631 PolarHBondContact O-N 2.96Å; V628-L632 VanDerWaalsContact O-CB 3.3Å; V628-L632 WeakPolarHBondContact O-CB 3.33Å; V628-L632 PolarHBondContact O-N 3.34Å
629Y98.5Very high98.2Very high101 Ų10153.4 Ų53.440%0.39625%0.254SS..Hα-helixtrans-72.7-39.2-163.8-59.3-62.5000113.6V306 R307 L632 F633V306-Y629 HydrophobicContact CG1-CE2 4.47Å; R307-Y629 WeakPolarHBondContact CD-OH 3.41Å; R307-Y629 PolarHBondContact NH1-OH 3.1Å; Y629-L632 PolarHBondContact O-N 3.04Å; Y629-F633 PolarHBondContact O-N 3.39Å
630E98.3Very high98.2Very high126 Ų12655.4 Ų55.459%0.58927%0.267SS*.Hα-helixtrans-66-45.3175.6-55.698.9166.100110.8L632 F633 E634E630-L632 VanDerWaalsContact C-N 3.28Å; E630-L632 PolarHBondContact O-N 3.05Å; E630-F633 PolarHBondContact O-N 3.49Å; E630-E634 PolarHBondContact O-N 3.24Å
631N98.4Very high98.1Very high55 Ų5560.4 Ų60.429%0.29429%0.292SS..Hα-helixtrans-65.9-31179.2-74.8-68.9000112.6V620 N627 V628 W635V620-N631 HydrophobicContact CG1-CB 3.76Å; N627-N631 PolarHBondContact O-ND2 3.05Å; V628-N631 PolarHBondContact O-N 2.96Å; N631-W635 VanDerWaalsContact O-CB 3.29Å; N631-W635 WeakPolarHBondContact O-CB 3.17Å; N631-W635 PolarHBondContact O-N 3.39Å
632L98.3Very high98.1Very high30 Ų3064.7 Ų64.716%0.15732%0.315CS..Hα-helixtrans-64-43.6174.1178.361.5000111.1C404 V620 V628 Y629 E630 A636C404-L632 HydrophobicContact CB-CD1 4.4Å; C404-L632 WeakPolarHBondContact SG-CD1 3.48Å; V620-L632 HydrophobicContact CG1-CB 4.1Å; V628-L632 VanDerWaalsContact O-CB 3.3Å; V628-L632 WeakPolarHBondContact O-CB 3.33Å; V628-L632 PolarHBondContact O-N 3.34Å; Y629-L632 PolarHBondContact O-N 3.04Å; E630-L632 VanDerWaalsContact C-N 3.28Å; E630-L632 PolarHBondContact O-N 3.05Å; L632-A636 PolarHBondContact O-N 3.05Å; L632-A636 VanDerWaalsContact O-N 3.1Å
633F98.5Very high98Very high125 Ų12572.1 Ų72.155%0.54835%0.348SS..Hα-helixtrans-67.2-43.6177.8-179.3-125.6000112.2Y629 E630 A636 K637Y629-F633 PolarHBondContact O-N 3.39Å; E630-F633 PolarHBondContact O-N 3.49Å; F633-A636 PolarHBondContact O-N 3.46Å; F633-K637 VanDerWaalsContact CD1-CE 3.41Å; F633-K637 HydrophobicContact CE1-CD 4.13Å; F633-K637 HydrophobicContact CE2-CD 4.38Å; F633-K637 HydrophobicContact CE2-CG 4.43Å; F633-K637 HydrophobicContact CZ-CD 3.94Å; F633-K637 VanDerWaalsContact CZ-CE 3.43Å; F633-K637 HydrophobicContact CZ-CG 4.47Å; F633-K637 PolarHBondContact O-N 3.04Å
634E98.3Very high98Very high85 Ų8572.9 Ų72.940%0.39736%0.359SS..Hα-helixtrans-63.3-42175.9-67.3-47.8134.200112.3E630 A636 K637 N638E630-E634 PolarHBondContact O-N 3.24Å; E634-A636 VanDerWaalsContact C-N 3.32Å; E634-A636 PolarHBondContact O-N 3.36Å; E634-K637 PolarHBondContact O-N 3.17Å; E634-K637 WeakPolarHBondContact OE1-CE 3.45Å; E634-K637 IonicContact OE1-NZ 2.63Å; E634-K637 PolarHBondContact OE1-NZ 3.45Å; E634-K637 IonicContact OE2-NZ 3.38Å; E634-K637 PolarHBondContact OE2-NZ 2.99Å; E634-K637 VanDerWaalsContact OE2-NZ 3.1Å; E634-N638 PolarHBondContact O-N 3.48Å; E634-N638 PolarHBondContact O-ND2 3.18Å
635W98.1Very high97.9Very high51 Ų5176.6 Ų76.619%0.19338%0.38CS..Hα-helixtrans-59.5-43.9175.5-175.391.1000111.6D50 N52 F53 H403 C404 V620 N631 N638 S639D50-W635 PolarHBondContact OD2-NE1 2.75Å; N52-W635 HydrophobicContact CB-CZ2 4.32Å; F53-W635 HydrophobicContact CD1-CZ2 4.42Å; F53-W635 HydrophobicContact CE1-CD2 4.24Å; F53-W635 AromaticContact CE1-CE2 3.6Å; F53-W635 AromaticContact CE1-CH2 3.83Å; F53-W635 HydrophobicContact CE1-CH2 3.83Å; F53-W635 AromaticContact CE1-CZ2 3.39Å; F53-W635 HydrophobicContact CE1-CZ2 3.39Å; F53-W635 HydrophobicContact CE1-CZ3 4.4Å; F53-W635 AromaticContact CZ-CD1 3.98Å; F53-W635 AromaticContact CZ-CD2 3.77Å; F53-W635 HydrophobicContact CZ-CD2 3.77Å; F53-W635 AromaticContact CZ-CE2 3.41Å; F53-W635 VanDerWaalsContact CZ-CE2 3.41Å; F53-W635 HydrophobicContact CZ-CE3 4.36Å; F53-W635 HydrophobicContact CZ-CG 4.15Å; F53-W635 HydrophobicContact CZ-CH2 4.35Å; F53-W635 AromaticContact CZ-CZ2 3.75Å; F53-W635 HydrophobicContact CZ-CZ2 3.75Å; F53-W635 AromaticContact CZ-NE1 3.53Å; F53-W635 WeakPolarHBondContact CZ-O 3.49Å; H403-W635 HydrophobicContact CB-CH2 4.31Å; H403-W635 HydrophobicContact CB-CZ2 4.32Å; C404-W635 HydrophobicContact CB-CD2 3.41Å; C404-W635 VanDerWaalsContact CB-CD2 3.41Å; C404-W635 HydrophobicContact CB-CE3 3.54Å; C404-W635 HydrophobicContact CB-CG 3.95Å; C404-W635 HydrophobicContact CB-CH2 3.99Å; C404-W635 HydrophobicContact CB-CZ2 3.89Å; C404-W635 HydrophobicContact CB-CZ3 3.83Å; V620-W635 HydrophobicContact CG2-CB 4.33Å; V620-W635 HydrophobicContact CG2-CG 4.42Å; N631-W635 VanDerWaalsContact O-CB 3.29Å; N631-W635 WeakPolarHBondContact O-CB 3.17Å; N631-W635 PolarHBondContact O-N 3.39Å; W635-N638 PolarHBondContact O-N 3.11Å; W635-S639 PolarHBondContact O-N 2.91Å
636A98.3Very high97.9Very high37 Ų3779.6 Ų79.631%0.30640%0.4SS..Hα-helixtrans-63.7-43.617900000112.5L632 F633 E634 N638 S639 N642L632-A636 PolarHBondContact O-N 3.05Å; L632-A636 VanDerWaalsContact O-N 3.1Å; F633-A636 PolarHBondContact O-N 3.46Å; E634-A636 VanDerWaalsContact C-N 3.32Å; E634-A636 PolarHBondContact O-N 3.36Å; A636-N638 VanDerWaalsContact C-N 3.26Å; A636-N638 PolarHBondContact O-N 2.78Å; A636-S639 WeakPolarHBondContact O-CB 3.32Å; A636-S639 PolarHBondContact O-N 2.75Å; A636-S639 VanDerWaalsContact O-N 3.12Å; A636-S639 PolarHBondContact O-OG 3.37Å; A636-N642 PolarHBondContact O-ND2 3.3Å
637K97.9Very high97.8Very high88 Ų8883.7 Ų83.738%0.38342%0.419SS..Hα-helixtrans-58.9-36.5176.7-92.1-178.1-74.8167.50112.9F633 E634 S639 N642F633-K637 VanDerWaalsContact CD1-CE 3.41Å; F633-K637 HydrophobicContact CE1-CD 4.13Å; F633-K637 HydrophobicContact CE2-CD 4.38Å; F633-K637 HydrophobicContact CE2-CG 4.43Å; F633-K637 HydrophobicContact CZ-CD 3.94Å; F633-K637 VanDerWaalsContact CZ-CE 3.43Å; F633-K637 HydrophobicContact CZ-CG 4.47Å; F633-K637 PolarHBondContact O-N 3.04Å; E634-K637 PolarHBondContact O-N 3.17Å; E634-K637 WeakPolarHBondContact OE1-CE 3.45Å; E634-K637 IonicContact OE1-NZ 2.63Å; E634-K637 PolarHBondContact OE1-NZ 3.45Å; E634-K637 IonicContact OE2-NZ 3.38Å; E634-K637 PolarHBondContact OE2-NZ 2.99Å; E634-K637 VanDerWaalsContact OE2-NZ 3.1Å; K637-S639 VanDerWaalsContact C-N 3.25Å; K637-S639 PolarHBondContact O-N 3.36Å; K637-N642 WeakPolarHBondContact O-CB 3.27Å
638N96.9Very high97.8Very high106 Ų10687.7 Ų87.757%0.56744%0.435SS*.THydrogen-bonded Turntrans-78.7-4.1179.9-68.3-39.2000114.1F53 E634 W635 A636F53-N638 HydrophobicContact CE2-CB 4.06Å; E634-N638 PolarHBondContact O-N 3.48Å; E634-N638 PolarHBondContact O-ND2 3.18Å; W635-N638 PolarHBondContact O-N 3.11Å; A636-N638 VanDerWaalsContact C-N 3.26Å; A636-N638 PolarHBondContact O-N 2.78Å
639S97.2Very high97.7Very high23 Ų2390.2 Ų90.216%0.16145%0.453CS..SBendtrans-68149.4-177.373.30000112.9W635 A636 K637 L641 N642W635-S639 PolarHBondContact O-N 2.91Å; A636-S639 WeakPolarHBondContact O-CB 3.32Å; A636-S639 PolarHBondContact O-N 2.75Å; A636-S639 VanDerWaalsContact O-N 3.12Å; A636-S639 PolarHBondContact O-OG 3.37Å; K637-S639 VanDerWaalsContact C-N 3.25Å; K637-S639 PolarHBondContact O-N 3.36Å; S639-L641 VanDerWaalsContact C-N 3.27Å; S639-L641 PolarHBondContact O-N 3.45Å; S639-L641 VanDerWaalsContact O-N 3.1Å; S639-N642 PolarHBondContact O-N 3.09Å; S639-N642 PolarHBondContact OG-ND2 2.85Å
640P97.3Very high97.6Very high51 Ų5189.8 Ų89.833%0.33145%0.452SS..G310 helixtrans-58.2-29.8-172.7-29.335.2000116.2F53 N642 K643F53-P640 HydrophobicContact CB-CG 3.72Å; F53-P640 VanDerWaalsContact CD1-CD 3.49Å; F53-P640 HydrophobicContact CD1-CG 4.31Å; F53-P640 HydrophobicContact CG-CG 4.17Å; F53-P640 WeakPolarHBondContact O-CG 3.42Å; P640-N642 PolarHBondContact O-N 3Å; P640-K643 WeakPolarHBondContact O-CB 3.43Å; P640-K643 VanDerWaalsContact O-CG 3.29Å; P640-K643 WeakPolarHBondContact O-CG 3.41Å; P640-K643 PolarHBondContact O-N 3.11Å
641L97.8Very high97.4Very high123 Ų12389.5 Ų89.564%0.64445%0.448SS*.G310 helixtrans-69.3-24.2178.1-76.5176.1000112.7S639 K643S639-L641 VanDerWaalsContact C-N 3.27Å; S639-L641 PolarHBondContact O-N 3.45Å; S639-L641 VanDerWaalsContact O-N 3.1Å; L641-K643 VanDerWaalsContact C-N 3.32Å
642N97.8Very high97.3Very high91 Ų9192.6 Ų92.649%0.48746%0.461SS..G310 helixtrans-91.810.5-179.5-65.5-24.3000112.8A636 K637 S639 P640 T644A636-N642 PolarHBondContact O-ND2 3.3Å; K637-N642 WeakPolarHBondContact O-CB 3.27Å; S639-N642 PolarHBondContact O-N 3.09Å; S639-N642 PolarHBondContact OG-ND2 2.85Å; P640-N642 PolarHBondContact O-N 3Å; N642-T644 PolarHBondContact O-N 3.29Å
643K96.3Very high97.2Very high157 Ų15795.4 Ų95.468%0.68348%0.476SS*.G310 helixtrans-60.7-22.5172.1-74.7178.5178.61800112.9P640 L641P640-K643 WeakPolarHBondContact O-CB 3.43Å; P640-K643 VanDerWaalsContact O-CG 3.29Å; P640-K643 WeakPolarHBondContact O-CG 3.41Å; P640-K643 PolarHBondContact O-N 3.11Å; L641-K643 VanDerWaalsContact C-N 3.32Å
644T97.6Very high96.9Very high76 Ų7695.8 Ų95.847%0.46648%0.477SS..SBendtrans-139.9140.1177.155.60000109.3N642 V646N642-T644 PolarHBondContact O-N 3.29Å; T644-V646 PolarHBondContact O-N 3.44Å; T644-V646 PolarHBondContact OG1-O 2.9Å
645E97.3Very high96.5Very high195 Ų19595 Ų9591%0.91148%0.481SS*.SBendtrans-61.9-31.8175.3-63.8-61.4152.300112.9
646V97.3Very high96.2Very high97 Ų9798.4 Ų98.459%0.58850%0.502SS*.SBendtrans-122.1113177.6-176.90000109.2T644 Y650T644-V646 PolarHBondContact O-N 3.44Å; T644-V646 PolarHBondContact OG1-O 2.9Å; V646-Y650 HydrophobicContact CG1-CD1 3.99Å; V646-Y650 HydrophobicContact CG1-CG 3.9Å
647H97.8Very high95.8Very high87 Ų87101.2 Ų101.240%0.40351%0.509SS..  trans-69150179.4-173.4-98.1000112.3S649 Y650H647-S649 VanDerWaalsContact ND1-CB 3.33Å; H647-S649 WeakPolarHBondContact ND1-CB 3.42Å; H647-S649 PolarHBondContact ND1-N 3.45Å; H647-S649 VanDerWaalsContact ND1-N 3.15Å; H647-S649 PolarHBondContact ND1-OG 3.18Å; H647-S649 PolarHBondContact O-N 2.97Å; H647-Y650 VanDerWaalsContact O-CB 3.3Å; H647-Y650 WeakPolarHBondContact O-CB 3.36Å; H647-Y650 PolarHBondContact O-N 3.47Å
648E97.1Very high94.8Very high136 Ų136101.3 Ų101.364%0.63652%0.521SS*.THydrogen-bonded Turntrans-59.3-25.6-176.974.7151.8-109.100113.7Y650 K651E648-Y650 PolarHBondContact O-N 2.93Å; E648-Y650 VanDerWaalsContact O-N 3.15Å; E648-K651 WeakPolarHBondContact O-CD 3.01Å; E648-K651 WeakPolarHBondContact O-CG 3.41Å; E648-K651 PolarHBondContact O-N 3.06Å; E648-K651 IonicContact OE1-NZ 2.71Å; E648-K651 PolarHBondContact OE1-NZ 3.08Å
649S96.7Very high93.3Very high55 Ų55105.3 Ų105.339%0.38553%0.533SS..THydrogen-bonded Turntrans-64.7-16.4178.764.40000112.7H647 K651 H652H647-S649 VanDerWaalsContact ND1-CB 3.33Å; H647-S649 WeakPolarHBondContact ND1-CB 3.42Å; H647-S649 PolarHBondContact ND1-N 3.45Å; H647-S649 VanDerWaalsContact ND1-N 3.15Å; H647-S649 PolarHBondContact ND1-OG 3.18Å; H647-S649 PolarHBondContact O-N 2.97Å; S649-K651 PolarHBondContact O-N 3.11Å; S649-H652 WeakPolarHBondContact O-CB 3.48Å; S649-H652 PolarHBondContact O-CD2 3.33Å; S649-H652 PolarHBondContact O-N 2.76Å
650Y96.8Very high91.3Very high91 Ų91114 Ų11436%0.35758%0.577SS.*Hα-helixtrans-56.8-23.4173.8-178.3-109.1000112.5V646 H647 E648 H652 L653 K654 Q657V646-Y650 HydrophobicContact CG1-CD1 3.99Å; V646-Y650 HydrophobicContact CG1-CG 3.9Å; H647-Y650 VanDerWaalsContact O-CB 3.3Å; H647-Y650 WeakPolarHBondContact O-CB 3.36Å; H647-Y650 PolarHBondContact O-N 3.47Å; E648-Y650 PolarHBondContact O-N 2.93Å; E648-Y650 VanDerWaalsContact O-N 3.15Å; Y650-H652 PolarHBondContact O-N 3.04Å; Y650-H652 VanDerWaalsContact O-N 3.08Å; Y650-L653 HydrophobicContact CD2-CB 3.86Å; Y650-L653 HydrophobicContact CD2-CD1 4.23Å; Y650-L653 HydrophobicContact CE2-CB 4.05Å; Y650-L653 PolarHBondContact O-N 3.26Å; Y650-K654 HydrophobicContact CD1-CB 4.31Å; Y650-K654 HydrophobicContact CE1-CB 3.88Å; Y650-K654 HydrophobicContact CE1-CD 4.37Å; Y650-K654 HydrophobicContact CE1-CG 4.16Å; Y650-K654 WeakPolarHBondContact O-CB 3.44Å; Y650-K654 PolarHBondContact O-N 2.92Å; Y650-Q657 VanDerWaalsContact CE2-OE1 3.29Å; Y650-Q657 PolarHBondContact OH-OE1 3.25Å
651K94.6Very high90.9Very high120 Ų120117.2 Ų117.252%0.52259%0.589SS.*Hα-helixtrans-51.3-32.6170.972.4-164.6177.9-165.10113.2E648 S649E648-K651 WeakPolarHBondContact O-CD 3.01Å; E648-K651 WeakPolarHBondContact O-CG 3.41Å; E648-K651 PolarHBondContact O-N 3.06Å; E648-K651 IonicContact OE1-NZ 2.71Å; E648-K651 PolarHBondContact OE1-NZ 3.08Å; S649-K651 PolarHBondContact O-N 3.11Å
652H95.3Very high90.6Very high121 Ų121116.9 Ų116.956%0.5659%0.587SS**Hα-helixtrans-77.8-31.3177.3-57.7-65.4000112.6S649 Y650 S655S649-H652 WeakPolarHBondContact O-CB 3.48Å; S649-H652 PolarHBondContact O-CD2 3.33Å; S649-H652 PolarHBondContact O-N 2.76Å; Y650-H652 PolarHBondContact O-N 3.04Å; Y650-H652 VanDerWaalsContact O-N 3.08Å; H652-S655 PolarHBondContact O-OG 3.09Å
653L95.5Very high90.2Very high88 Ų88118.3 Ų118.346%0.46159%0.592SS.*Hα-helixtrans-83.3-33.8179.8-59.5-179.6000112.6Y650 S655 L656 Q657Y650-L653 HydrophobicContact CD2-CB 3.86Å; Y650-L653 HydrophobicContact CD2-CD1 4.23Å; Y650-L653 HydrophobicContact CE2-CB 4.05Å; Y650-L653 PolarHBondContact O-N 3.26Å; L653-S655 PolarHBondContact O-N 2.72Å; L653-L656 WeakPolarHBondContact O-CB 3.33Å; L653-L656 PolarHBondContact O-N 3.04Å; L653-Q657 PolarHBondContact O-N 2.96Å; L653-Q657 VanDerWaalsContact O-N 3.1Å
654K93.8Very high89.8Confident133 Ų133116.1 Ų116.158%0.57859%0.587SS**Hα-helixtrans-53.1-41.5-179.1-172.6176.4-178.4177.90112Y650 L656 Q657 S658Y650-K654 HydrophobicContact CD1-CB 4.31Å; Y650-K654 HydrophobicContact CE1-CB 3.88Å; Y650-K654 HydrophobicContact CE1-CD 4.37Å; Y650-K654 HydrophobicContact CE1-CG 4.16Å; Y650-K654 WeakPolarHBondContact O-CB 3.44Å; Y650-K654 PolarHBondContact O-N 2.92Å; K654-L656 VanDerWaalsContact C-N 3.35Å; K654-L656 PolarHBondContact O-N 3.13Å; K654-Q657 PolarHBondContact O-N 3.5Å; K654-S658 PolarHBondContact O-N 2.89Å; K654-S658 PolarHBondContact O-OG 3.48Å
655S88.4Confident89.3Confident68 Ų68118.6 Ų118.648%0.47659%0.594SS.*Hα-helixtrans-65.8-33.9178.6710000113.6H652 L653 S658H652-S655 PolarHBondContact O-OG 3.09Å; L653-S655 PolarHBondContact O-N 2.72Å; S655-S658 PolarHBondContact O-OG 3.01Å
656L91.8Very high88.8Confident124 Ų124113.5 Ų113.565%0.64957%0.573SS**Hα-helixtrans-72.8-35.5177-60.9176000111.4L653 K654L653-L656 WeakPolarHBondContact O-CB 3.33Å; L653-L656 PolarHBondContact O-N 3.04Å; K654-L656 VanDerWaalsContact C-N 3.35Å; K654-L656 PolarHBondContact O-N 3.13Å
657Q90.8Very high88.2Confident96 Ų96114.6 Ų114.645%0.44957%0.572SS.*Hα-helixtrans-80-26.2-179.2-68.1177.8-20.500113.1Y650 L653 K654 K659 L660Y650-Q657 VanDerWaalsContact CE2-OE1 3.29Å; Y650-Q657 PolarHBondContact OH-OE1 3.25Å; L653-Q657 PolarHBondContact O-N 2.96Å; L653-Q657 VanDerWaalsContact O-N 3.1Å; K654-Q657 PolarHBondContact O-N 3.5Å; Q657-K659 PolarHBondContact O-N 2.84Å; Q657-K659 VanDerWaalsContact O-N 3.08Å; Q657-L660 PolarHBondContact O-N 2.97Å
658S77.8Confident87.5Confident90 Ų90116.8 Ų116.863%0.62959%0.585SS**THydrogen-bonded Turntrans-67.6-3.7177.763.60000115.5K654 S655K654-S658 PolarHBondContact O-N 2.89Å; K654-S658 PolarHBondContact O-OG 3.48Å; S655-S658 PolarHBondContact O-OG 3.01Å
659K64.3Low86.7Confident189 Ų189115.2 Ų115.282%0.82258%0.581SS**THydrogen-bonded Turntrans-105.4-1.1177.1-65.1-173.7179-177.70113.4Q657Q657-K659 PolarHBondContact O-N 2.84Å; Q657-K659 VanDerWaalsContact O-N 3.08Å
660L54.4Low85.8Confident207 Ų207120.6 Ų120.6100%1.08460%0.599SS**  trans-94.20166.2-69.7165.8000108.2Q657Q657-L660 PolarHBondContact O-N 2.97Å

Retrieved 660 of 660 residues in 136.9 ms (Link to these results)

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