A0A3Q0KP72_SCHMA Loading...

Annexin

Calcium/phospholipid-binding protein which promotes membrane fusion and is involved in exocytosis. Involved in reproduction of the worm. Involved in host-parasite interaction. Delivered into the host cell by means of parasite exosomes. Binds to acidic phospholipid membranes in a calcium-dependent manner in vitro. Causes aggregation of liposomes in the presence of calcium, but not in its absence. Likely to promote membrane fusion. May provide structural integrity within the tegument.

AlphaFold DB , UniProt , Accession A0A3Q0KP72, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 761 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
1M44.6Very low72.7Confident233 Ų23377.8 Ų77.8100%1.14847%0.472SS*.  0151.50-64.1-175.4-172.100108
2P50.7Low74.4Confident57 Ų5771.8 Ų71.837%0.3744%0.435SS..  trans-62.6157169.827.4-33.9000111.4G6P2-G6 VanDerWaalsContact CB-C 3.4Å; P2-G6 VanDerWaalsContact CB-O 3.25Å; P2-G6 WeakPolarHBondContact CB-O 3.46Å; P2-G6 WeakPolarHBondContact CG-O 3.33Å
3I57.7Low75.5Confident139 Ų13970.5 Ų70.571%0.71342%0.423SS*.  trans-61.3151.1164.8-58168.9000107.9G5 G6I3-G5 PolarHBondContact O-N 3.14Å; I3-G5 VanDerWaalsContact O-N 3.07Å; I3-G6 PolarHBondContact O-N 2.64Å
4T52.1Low76.2Confident151 Ų15167.4 Ų67.493%0.92641%0.406SS*.THydrogen-bonded Turntrans-44.9115.6178.8-49.20000112.1
5G62.6Low76.4Confident66 Ų6666.4 Ų66.468%0.6840%0.397SS*.THydrogen-bonded Turntrans96.1-16.7-177.700000115.8I3I3-G5 PolarHBondContact O-N 3.14Å; I3-G5 VanDerWaalsContact O-N 3.07Å
6G76.5Confident75.7Confident30 Ų3072.9 Ų72.931%0.30942%0.419SS..  trans-77.1163.3173.200000113.1P2 I3P2-G6 VanDerWaalsContact CB-C 3.4Å; P2-G6 VanDerWaalsContact CB-O 3.25Å; P2-G6 WeakPolarHBondContact CB-O 3.46Å; P2-G6 WeakPolarHBondContact CG-O 3.33Å; I3-G6 PolarHBondContact O-N 2.64Å
7I86.3Confident74.1Confident20 Ų2071.4 Ų71.410%0.10341%0.413CS..  trans-107.1156.3176.559.3158.6000113T39 A86 H88 V93I7-T39 HydrophobicContact CB-CG2 3.67Å; I7-T39 HydrophobicContact CD1-CG2 4.37Å; I7-T39 HydrophobicContact CG2-CG2 3.6Å; I7-A86 HydrophobicContact CD1-CB 3.76Å; I7-H88 HydrophobicContact CD1-CB 4.22Å; I7-H88 HydrophobicContact CG2-CB 4.12Å; I7-V93 WeakPolarHBondContact CD1-O 3.39Å; I7-V93 HydrophobicContact CG1-CG1 4.36Å; I7-V93 HydrophobicContact CG2-CG1 4.42Å
8A88.5Confident72.5Confident30 Ų3077.8 Ų77.825%0.24844%0.439CS..PPolyproline II helixtrans-70138.8-178.600000111.3T39A8-T39 WeakPolarHBondContact CB-OG1 3.49Å; A8-T39 PolarHBondContact N-OG1 2.85Å; A8-T39 PolarHBondContact O-OG1 3.11Å
9A92.8Very high70.9Confident32 Ų3281.2 Ų81.226%0.26446%0.455SS..PPolyproline II helixtrans-75.1146.517800000112H96 V98A9-H96 HydrophobicContact CB-CB 4.4Å; A9-H96 VanDerWaalsContact CB-O 3.24Å; A9-H96 WeakPolarHBondContact CB-O 3.44Å; A9-V98 HydrophobicContact CB-CG2 3.67Å
10P94.8Very high69.6Low2 Ų286.8 Ų86.81%0.01348%0.475CS..PPolyproline II helixtrans-74.7153.1-174.231.2-37.1000113.1I35 V36 L44 A84 S95 V98P10-I35 HydrophobicContact CB-CG2 3.83Å; P10-I35 HydrophobicContact CG-CG2 4.4Å; P10-V36 CarbonylContact C-O 3.6Å; P10-V36 WeakPolarHBondContact CA-O 3.37Å; P10-V36 WeakPolarHBondContact CB-O 3.43Å; P10-L44 HydrophobicContact CB-CD2 3.54Å; P10-L44 HydrophobicContact CG-CD2 4.08Å; P10-A84 HydrophobicContact CG-CB 3.77Å; P10-S95 WeakPolarHBondContact CD-OG 3.36Å; P10-V98 WeakPolarHBondContact O-CB 3.18Å; P10-V98 WeakPolarHBondContact O-CG1 3.14Å; P10-V98 WeakPolarHBondContact O-CG2 3.44Å
11K93.2Very high68.5Low96 Ų9691.8 Ų91.842%0.41750%0.495SS..EExtended strand (participates in β ladder)trans-92.9128.2172.5-62.6163.4-171.2156.80108.5I13 I35 V36 D38K11-I13 HydrophobicContact CB-CD1 4.08Å; K11-I13 HydrophobicContact CB-CG1 3.99Å; K11-I35 CarbonylContact O-C 3.57Å; K11-I35 VanDerWaalsContact O-CA 3.32Å; K11-I35 WeakPolarHBondContact O-CA 3.04Å; K11-V36 PolarHBondContact N-O 3.09Å; K11-V36 PolarHBondContact O-N 3.27Å; K11-D38 VanDerWaalsContact CE-OD2 3.31Å; K11-D38 WeakPolarHBondContact CE-OD2 3.38Å; K11-D38 IonicContact NZ-OD1 2.73Å; K11-D38 PolarHBondContact NZ-OD1 3.43Å; K11-D38 IonicContact NZ-OD2 3.55Å; K11-D38 PolarHBondContact NZ-OD2 3.32Å
12I93Very high68.7Low5 Ų584 Ų843%0.02647%0.467CS..EExtended strand (participates in β ladder)trans-97.9118.2170.6-56.1165.7000106.7I33 E34 I35 V82 A84 V98 R100 F102I12-I33 HydrophobicContact CG2-CG2 3.39Å; I12-E34 CarbonylContact C-O 3.53Å; I12-E34 WeakPolarHBondContact CA-O 2.96Å; I12-I35 HydrophobicContact CG1-CG1 4.42Å; I12-V82 HydrophobicContact CD1-CB 4.07Å; I12-V82 HydrophobicContact CD1-CG1 3.81Å; I12-V82 WeakPolarHBondContact CD1-O 3.25Å; I12-V82 HydrophobicContact CG1-CG1 4.33Å; I12-V82 HydrophobicContact CG2-CB 4.19Å; I12-V82 HydrophobicContact CG2-CG1 4.02Å; I12-A84 HydrophobicContact CD1-CB 3.9Å; I12-A84 HydrophobicContact CG1-CB 3.88Å; I12-V98 HydrophobicContact CD1-CG1 4.07Å; I12-V98 HydrophobicContact CG1-CG1 4.33Å; I12-R100 HydrophobicContact CB-CB 4.01Å; I12-R100 HydrophobicContact CD1-CB 3.92Å; I12-R100 HydrophobicContact CG2-CB 4.06Å; I12-R100 WeakPolarHBondContact O-CD 3.24Å; I12-R100 PolarHBondContact O-NH1 3.11Å; I12-F102 HydrophobicContact CG2-CE2 4.09Å; I12-F102 HydrophobicContact CG2-CZ 4.04Å
13I88.5Confident68.7Low56 Ų5687.4 Ų87.429%0.28748%0.482SS..EExtended strand (participates in β ladder)trans-127.4119.1-167.5-52.5177.3000109.7K11 L15 E34 V36K11-I13 HydrophobicContact CB-CD1 4.08Å; K11-I13 HydrophobicContact CB-CG1 3.99Å; I13-L15 PolarHBondContact O-N 3.19Å; I13-E34 HydrophobicContact CB-CB 4.38Å; I13-E34 PolarHBondContact N-O 3.33Å; I13-E34 PolarHBondContact O-N 3.4Å; I13-V36 HydrophobicContact CD1-CB 4.47Å; I13-V36 HydrophobicContact CD1-CG2 3.98Å
14P85.2Confident68.7Low27 Ų2790.6 Ų90.618%0.17549%0.494CS..EExtended strand (participates in β ladder)trans-73.3123.4166.929.7-31.8000110.1I27 T31 F32 I33 F102P14-I27 HydrophobicContact CB-CG2 4.1Å; P14-T31 HydrophobicContact CB-CG2 3.63Å; P14-F32 CarbonylContact C-O 3.53Å; P14-F32 WeakPolarHBondContact CA-O 3.28Å; P14-I33 HydrophobicContact CB-CD1 3.82Å; P14-F102 HydrophobicContact CB-CE1 4.14Å; P14-F102 HydrophobicContact CG-CE1 4.1Å
15L79.8Confident69.4Low52 Ų5285 Ų8527%0.27247%0.466SS..EExtended strand (participates in β ladder)trans-81.2108.6169.5-56.4179.9000107.4I13 T31 F32 E34 P72 L202I13-L15 PolarHBondContact O-N 3.19Å; L15-T31 WeakPolarHBondContact O-CG2 3.44Å; L15-F32 HydrophobicContact CB-CB 4.35Å; L15-F32 HydrophobicContact CD1-CB 4.24Å; L15-F32 PolarHBondContact N-O 3.17Å; L15-E34 HydrophobicContact CD1-CB 4.19Å; L15-E34 HydrophobicContact CD2-CB 4.05Å; L15-E34 HydrophobicContact CG-CB 4.05Å; L15-P72 HydrophobicContact CD1-CB 3.89Å; L15-P72 HydrophobicContact CD1-CG 3.8Å; L15-L202 HydrophobicContact CD1-CD1 4.46Å
16K65.4Low70.1Confident171 Ų17183 Ų8374%0.74344%0.442SS*.  trans-70.2137.4-174.7-68-173.3169.9-166.70111.9
17S48.7Very low70.4Confident47 Ų4782.2 Ų82.233%0.32943%0.43SS..  trans-62.7155.9148.948.80000109.8D19 D28S17-D19 PolarHBondContact O-N 3.05Å; S17-D19 VanDerWaalsContact O-N 3.07Å; S17-D28 PolarHBondContact OG-OD2 3.02Å
18E44.3Very low70.1Confident186 Ų18683.8 Ų83.887%0.86944%0.439SS*.SBendtrans-73.7-1.2-164.7-64.8-163.1126.800115.7
19D42.9Very low69.7Low142 Ų14283.4 Ų83.476%0.75943%0.433SS*.  trans-78.8136.7-177.7-84.5-45.5000114.9S17S17-D19 PolarHBondContact O-N 3.05Å; S17-D19 VanDerWaalsContact O-N 3.07Å
20K43.8Very low68.8Low193 Ų19386.8 Ų86.884%0.83944%0.444SS*.THydrogen-bonded Turntrans-81.6157-174-67.4164.5-175.7159.90110.7
21E47.1Very low68Low193 Ų19387.1 Ų87.190%0.90245%0.446SS*.THydrogen-bonded Turntrans79.611.6172.4-48-164.4153.100118.9L23E21-L23 PolarHBondContact O-N 3.15Å; E21-L23 VanDerWaalsContact O-N 3.09Å
22A48Very low67.6Low69 Ų6985.6 Ų85.657%0.5744%0.439SS*.  trans-57.8115.8168.600000113
23L52.5Low67.2Low129 Ų12985.4 Ų85.468%0.67544%0.438SS*.  trans-48.7139177.5-82153.2000112.9E21 G25 C26E21-L23 PolarHBondContact O-N 3.15Å; E21-L23 VanDerWaalsContact O-N 3.09Å; L23-G25 PolarHBondContact O-N 3.42Å; L23-C26 HydrophobicContact CB-CB 3.91Å; L23-C26 WeakPolarHBondContact O-CB 3.46Å; L23-C26 PolarHBondContact O-N 3.06Å
24Q57.4Low67.3Low205 Ų20585.7 Ų85.796%0.95844%0.438SS*.THydrogen-bonded Turntrans-61.5105.7-177-170.6169.85.500112.4
25G66.2Low67.6Low34 Ų3484.6 Ų84.635%0.35143%0.431SS..THydrogen-bonded Turntrans100.5-6.1-17700000114.7L23 F102 K103L23-G25 PolarHBondContact O-N 3.42Å; G25-F102 WeakPolarHBondContact O-CA 3.46Å; G25-K103 PolarHBondContact O-N 3.37Å
26C77Confident68.2Low24 Ų2484.3 Ų84.316%0.16243%0.431CS..EExtended strand (participates in β ladder)trans-86.2143.9160.7-63.70000109.8L23 K103 I105L23-C26 HydrophobicContact CB-CB 3.91Å; L23-C26 WeakPolarHBondContact O-CB 3.46Å; L23-C26 PolarHBondContact O-N 3.06Å; C26-K103 VanDerWaalsContact CA-O 3.27Å; C26-K103 WeakPolarHBondContact CA-O 3.19Å; C26-I105 HydrophobicContact CB-CD1 4.31Å
27I81.9Confident69.3Low14 Ų1477.4 Ų77.47%0.07241%0.405CS..EExtended strand (participates in β ladder)trans-141.4164.716866.2173.6000107.8P14 T31 I33 L75 F102 K103 V104 I105P14-I27 HydrophobicContact CB-CG2 4.1Å; I27-T31 HydrophobicContact CB-CG2 3.81Å; I27-T31 HydrophobicContact CD1-CG2 4.26Å; I27-T31 HydrophobicContact CG2-CG2 3.75Å; I27-I33 HydrophobicContact CD1-CD1 3.89Å; I27-L75 HydrophobicContact CD1-CB 4.45Å; I27-L75 HydrophobicContact CD1-CD1 3.98Å; I27-L75 HydrophobicContact CD1-CG 4.38Å; I27-F102 HydrophobicContact CD1-CB 4.11Å; I27-F102 HydrophobicContact CD1-CD1 3.8Å; I27-F102 HydrophobicContact CD1-CE1 4.41Å; I27-F102 HydrophobicContact CD1-CG 4.07Å; I27-F102 HydrophobicContact CG1-CB 4.26Å; I27-F102 HydrophobicContact CG1-CD1 4.26Å; I27-F102 HydrophobicContact CG2-CD1 3.91Å; I27-F102 HydrophobicContact CG2-CE1 4.34Å; I27-K103 PolarHBondContact N-O 2.88Å; I27-V104 HydrophobicContact CD1-CG2 4.11Å; I27-V104 HydrophobicContact CG1-CB 4.35Å; I27-V104 HydrophobicContact CG1-CG1 4.32Å; I27-V104 HydrophobicContact CG1-CG2 3.94Å; I27-V104 CarbonylContact O-C 3.46Å; I27-V104 VanDerWaalsContact O-CA 3.25Å; I27-V104 WeakPolarHBondContact O-CA 3.42Å; I27-I105 PolarHBondContact O-N 3.28Å
28D80.9Confident71.2Confident52 Ų5280 Ų8028%0.27841%0.414SS..EExtended strand (participates in β ladder)trans-91.5177.9167.451.847.4000111S17 Q30 T31 I105S17-D28 PolarHBondContact OG-OD2 3.02Å; D28-Q30 PolarHBondContact O-N 2.98Å; D28-Q30 WeakPolarHBondContact OD1-CA 3.39Å; D28-Q30 PolarHBondContact OD1-N 3.49Å; D28-T31 VanDerWaalsContact CG-OG1 3.3Å; D28-T31 WeakPolarHBondContact OD1-CB 3.31Å; D28-T31 PolarHBondContact OD1-N 2.92Å; D28-T31 PolarHBondContact OD1-OG1 3.32Å; D28-I105 CarbonylContact C-O 3.5Å; D28-I105 WeakPolarHBondContact CA-O 3.34Å
29T79.7Confident73.1Confident22 Ų2272 Ų7214%0.13538%0.379CS..THydrogen-bonded Turntrans-66.5-16.7173.339.60000114.1A74 P77 V104 I105T29-A74 WeakPolarHBondContact O-CB 3.28Å; T29-P77 VanDerWaalsContact CG2-CD 3.5Å; T29-P77 HydrophobicContact CG2-CG 3.5Å; T29-V104 HydrophobicContact CG2-CG1 4.01Å; T29-I105 PolarHBondContact N-O 3.2Å
30Q74.1Confident74.8Confident104 Ų10469.9 Ų69.949%0.48637%0.372SS..THydrogen-bonded Turntrans-92.7-15.7-178.2-58.9-177.55.600112.8D28 F32D28-Q30 PolarHBondContact O-N 2.98Å; D28-Q30 WeakPolarHBondContact OD1-CA 3.39Å; D28-Q30 PolarHBondContact OD1-N 3.49Å; Q30-F32 VanDerWaalsContact O-CD2 3.27Å; Q30-F32 WeakPolarHBondContact O-CD2 3.42Å; Q30-F32 PolarHBondContact O-N 2.71Å; Q30-F32 VanDerWaalsContact O-N 3.09Å
31T79.2Confident76.5Confident8 Ų866.2 Ų66.25%0.04936%0.362CS..  trans-71.3101.8179.8-600000110.9P14 L15 I27 D28P14-T31 HydrophobicContact CB-CG2 3.63Å; L15-T31 WeakPolarHBondContact O-CG2 3.44Å; I27-T31 HydrophobicContact CB-CG2 3.81Å; I27-T31 HydrophobicContact CD1-CG2 4.26Å; I27-T31 HydrophobicContact CG2-CG2 3.75Å; D28-T31 VanDerWaalsContact CG-OG1 3.3Å; D28-T31 WeakPolarHBondContact OD1-CB 3.31Å; D28-T31 PolarHBondContact OD1-N 2.92Å; D28-T31 PolarHBondContact OD1-OG1 3.32Å
32F84Confident78.3Confident65 Ų6558.1 Ų58.129%0.28533%0.329SS..EExtended strand (participates in β ladder)trans-65.8142.9176.4-74.4-90.8000112.5P14 L15 Q30 P72 A74 M199P14-F32 CarbonylContact C-O 3.53Å; P14-F32 WeakPolarHBondContact CA-O 3.28Å; L15-F32 HydrophobicContact CB-CB 4.35Å; L15-F32 HydrophobicContact CD1-CB 4.24Å; L15-F32 PolarHBondContact N-O 3.17Å; Q30-F32 VanDerWaalsContact O-CD2 3.27Å; Q30-F32 WeakPolarHBondContact O-CD2 3.42Å; Q30-F32 PolarHBondContact O-N 2.71Å; Q30-F32 VanDerWaalsContact O-N 3.09Å; F32-P72 HydrophobicContact CB-CB 3.91Å; F32-P72 HydrophobicContact CD1-CB 4.21Å; F32-P72 HydrophobicContact CG-CB 4.43Å; F32-A74 HydrophobicContact CE1-CB 4.49Å; F32-M199 HydrophobicContact CD1-SD 4.35Å; F32-M199 HydrophobicContact CE1-CE 4.4Å; F32-M199 HydrophobicContact CE1-SD 4.23Å; F32-M199 HydrophobicContact CE2-CE 4.17Å; F32-M199 HydrophobicContact CZ-CE 4.05Å; F32-M199 HydrophobicContact CZ-SD 4.47Å
33I85.2Confident80.4Confident0 Ų061.1 Ų61.10%033%0.325CS..EExtended strand (participates in β ladder)trans-103.6113.2174.5-56.8-52.8000110I12 P14 I27 P72 F73 L75 F102I12-I33 HydrophobicContact CG2-CG2 3.39Å; P14-I33 HydrophobicContact CB-CD1 3.82Å; I27-I33 HydrophobicContact CD1-CD1 3.89Å; I33-P72 VanDerWaalsContact O-CA 3.28Å; I33-P72 WeakPolarHBondContact O-CA 3.34Å; I33-F73 HydrophobicContact CB-CD1 4.5Å; I33-F73 HydrophobicContact CB-CE1 4.13Å; I33-F73 HydrophobicContact CB-CE2 4.23Å; I33-F73 HydrophobicContact CB-CZ 3.99Å; I33-F73 WeakPolarHBondContact CB-O 3.46Å; I33-F73 HydrophobicContact CG2-CE1 4.09Å; I33-F73 HydrophobicContact CG2-CZ 3.88Å; I33-F73 PolarHBondContact N-O 2.98Å; I33-F73 VanDerWaalsContact O-CD1 3.27Å; I33-F73 WeakPolarHBondContact O-CD1 3.13Å; I33-F73 WeakPolarHBondContact O-CE1 3.45Å; I33-F73 PolarHBondContact O-N 3.05Å; I33-F73 VanDerWaalsContact O-N 3.13Å; I33-L75 HydrophobicContact CD1-CD1 4.38Å; I33-L75 HydrophobicContact CG1-CD1 3.91Å; I33-L75 HydrophobicContact CG1-CD2 4.29Å; I33-L75 HydrophobicContact CG1-CG 3.76Å; I33-F102 HydrophobicContact CD1-CD1 4.3Å; I33-F102 HydrophobicContact CD1-CE1 3.64Å; I33-F102 HydrophobicContact CD1-CE2 4.04Å; I33-F102 HydrophobicContact CD1-CZ 3.47Å; I33-F102 VanDerWaalsContact CD1-CZ 3.47Å; I33-F102 HydrophobicContact CG1-CE2 4.43Å; I33-F102 HydrophobicContact CG1-CZ 4.28Å; I33-F102 HydrophobicContact CG2-CZ 4.48Å
34E90.4Very high82.3Confident62 Ų6256 Ų5629%0.2930%0.298SS..EExtended strand (participates in β ladder)trans-84.9147.9168-163.9-172.3-157.600110.6I12 I13 L15 V36 Y69 P72I12-E34 CarbonylContact C-O 3.53Å; I12-E34 WeakPolarHBondContact CA-O 2.96Å; I13-E34 HydrophobicContact CB-CB 4.38Å; I13-E34 PolarHBondContact N-O 3.33Å; I13-E34 PolarHBondContact O-N 3.4Å; L15-E34 HydrophobicContact CD1-CB 4.19Å; L15-E34 HydrophobicContact CD2-CB 4.05Å; L15-E34 HydrophobicContact CG-CB 4.05Å; E34-V36 HydrophobicContact CG-CG2 3.69Å; E34-V36 WeakPolarHBondContact OE2-CG2 3.48Å; E34-Y69 WeakPolarHBondContact CA-OH 3.49Å; E34-Y69 WeakPolarHBondContact CG-OH 3.28Å; E34-P72 HydrophobicContact CB-CG 4.41Å; E34-P72 HydrophobicContact CG-CG 4.35Å
35I91.9Very high84Confident4 Ų447.4 Ų47.42%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-125.4120.5169-53.5178.7000108.4P10 K11 I12 L44 F46 Y69 F73 V82 A84P10-I35 HydrophobicContact CB-CG2 3.83Å; P10-I35 HydrophobicContact CG-CG2 4.4Å; K11-I35 CarbonylContact O-C 3.57Å; K11-I35 VanDerWaalsContact O-CA 3.32Å; K11-I35 WeakPolarHBondContact O-CA 3.04Å; I12-I35 HydrophobicContact CG1-CG1 4.42Å; I35-L44 HydrophobicContact CB-CD1 4.46Å; I35-L44 HydrophobicContact CG2-CD1 4.09Å; I35-L44 HydrophobicContact CG2-CD2 4.15Å; I35-L44 VanDerWaalsContact O-CD1 3.22Å; I35-L44 WeakPolarHBondContact O-CD1 3.3Å; I35-F46 HydrophobicContact CD1-CB 3.61Å; I35-F46 HydrophobicContact CD1-CD1 3.98Å; I35-F46 HydrophobicContact CD1-CD2 4.07Å; I35-F46 HydrophobicContact CD1-CG 3.62Å; I35-Y69 HydrophobicContact CB-CD1 4.13Å; I35-Y69 HydrophobicContact CB-CD2 3.67Å; I35-Y69 HydrophobicContact CB-CE1 4.28Å; I35-Y69 HydrophobicContact CB-CE2 3.81Å; I35-Y69 HydrophobicContact CB-CG 3.82Å; I35-Y69 HydrophobicContact CD1-CD2 3.77Å; I35-Y69 HydrophobicContact CD1-CE2 4.43Å; I35-Y69 HydrophobicContact CD1-CG 4.28Å; I35-Y69 HydrophobicContact CG1-CD2 3.71Å; I35-Y69 HydrophobicContact CG1-CE2 3.89Å; I35-Y69 HydrophobicContact CG1-CG 4.3Å; I35-Y69 VanDerWaalsContact N-CE2 3.3Å; I35-Y69 PolarHBondContact N-OH 3.14Å; I35-Y69 WeakPolarHBondContact O-CD1 3.38Å; I35-Y69 WeakPolarHBondContact O-CE1 3.34Å; I35-F73 HydrophobicContact CD1-CE1 3.82Å; I35-F73 HydrophobicContact CD1-CZ 4.17Å; I35-F73 HydrophobicContact CG1-CE1 4.11Å; I35-V82 HydrophobicContact CD1-CG1 4.31Å; I35-A84 HydrophobicContact CD1-CB 4.06Å; I35-A84 HydrophobicContact CG2-CB 3.91Å
36V90.7Very high85.4Confident46 Ų4645.8 Ų45.828%0.27924%0.24SC..EExtended strand (participates in β ladder)trans-122.2140.7-173-172.60000110.4P10 K11 I13 E34P10-V36 CarbonylContact C-O 3.6Å; P10-V36 WeakPolarHBondContact CA-O 3.37Å; P10-V36 WeakPolarHBondContact CB-O 3.43Å; K11-V36 PolarHBondContact N-O 3.09Å; K11-V36 PolarHBondContact O-N 3.27Å; I13-V36 HydrophobicContact CD1-CB 4.47Å; I13-V36 HydrophobicContact CD1-CG2 3.98Å; E34-V36 HydrophobicContact CG-CG2 3.69Å; E34-V36 WeakPolarHBondContact OE2-CG2 3.48Å
37S89.9Confident86.2Confident27 Ų2744.7 Ų44.719%0.18923%0.233CC..  trans-117.6129.1173166.90000110.7T39 A42S37-T39 PolarHBondContact O-N 3.05Å; S37-T39 WeakPolarHBondContact OG-CA 3.33Å; S37-T39 VanDerWaalsContact OG-CB 3.28Å; S37-T39 WeakPolarHBondContact OG-CB 3.38Å; S37-T39 PolarHBondContact OG-N 3.13Å; S37-T39 PolarHBondContact OG-O 2.71Å; S37-A42 WeakPolarHBondContact OG-CB 3.49Å
38D88Confident86.4Confident100 Ų10044.1 Ų44.154%0.53523%0.23SC..SBendtrans-75-12.3169.1-58.4-13000111.8K11 P40K11-D38 VanDerWaalsContact CE-OD2 3.31Å; K11-D38 WeakPolarHBondContact CE-OD2 3.38Å; K11-D38 IonicContact NZ-OD1 2.73Å; K11-D38 PolarHBondContact NZ-OD1 3.43Å; K11-D38 IonicContact NZ-OD2 3.55Å; K11-D38 PolarHBondContact NZ-OD2 3.32Å; D38-P40 WeakPolarHBondContact O-CD 3.4Å
39T83.9Confident86.4Confident20 Ų2043.9 Ų43.912%0.12323%0.229CC..SBendtrans-80.4120.5175.4-49.80000109.9I7 A8 S37 A42I7-T39 HydrophobicContact CB-CG2 3.67Å; I7-T39 HydrophobicContact CD1-CG2 4.37Å; I7-T39 HydrophobicContact CG2-CG2 3.6Å; A8-T39 WeakPolarHBondContact CB-OG1 3.49Å; A8-T39 PolarHBondContact N-OG1 2.85Å; A8-T39 PolarHBondContact O-OG1 3.11Å; S37-T39 PolarHBondContact O-N 3.05Å; S37-T39 WeakPolarHBondContact OG-CA 3.33Å; S37-T39 VanDerWaalsContact OG-CB 3.28Å; S37-T39 WeakPolarHBondContact OG-CB 3.38Å; S37-T39 PolarHBondContact OG-N 3.13Å; S37-T39 PolarHBondContact OG-O 2.71Å; T39-A42 HydrophobicContact CG2-CB 4.31Å; T39-A42 WeakPolarHBondContact O-CB 3.39Å
40P78.8Confident86.5Confident96 Ų9643.9 Ų43.962%0.62323%0.233SC*.THydrogen-bonded Turntrans-60.2151.4171.9-21.533.6000111.9D38 A42D38-P40 WeakPolarHBondContact O-CD 3.4Å; P40-A42 PolarHBondContact O-N 2.92Å
41N80Confident87.2Confident116 Ų11645.4 Ų45.462%0.6224%0.238SC*.THydrogen-bonded Turntrans55.918.7177.6-59.7-33.8000115S89N41-S89 WeakPolarHBondContact O-CB 3.38Å; N41-S89 PolarHBondContact O-N 2.72Å; N41-S89 PolarHBondContact O-OG 2.97Å; N41-S89 VanDerWaalsContact O-OG 3.07Å
42A84.8Confident87.8Confident24 Ų2449.9 Ų49.920%0.19826%0.262CS..EExtended strand (participates in β ladder)trans-80129.7175.100000111.8S37 T39 P40 A86 V87S37-A42 WeakPolarHBondContact OG-CB 3.49Å; T39-A42 HydrophobicContact CG2-CB 4.31Å; T39-A42 WeakPolarHBondContact O-CB 3.39Å; P40-A42 PolarHBondContact O-N 2.92Å; A42-A86 HydrophobicContact CB-CB 3.99Å; A42-V87 CarbonylContact C-O 3.55Å; A42-V87 WeakPolarHBondContact CA-O 3.33Å
43R91Very high88.2Confident132 Ų13247 Ų4750%0.49825%0.25SC..EExtended strand (participates in β ladder)trans-83.3135.2161.4-71.6179.9175.7171.5-2108.8Y45 A86 V87R43-Y45 HydrophobicContact CB-CD2 4.42Å; R43-Y45 HydrophobicContact CB-CE2 3.6Å; R43-A86 CarbonylContact O-C 3.54Å; R43-A86 WeakPolarHBondContact O-CA 3.31Å; R43-V87 PolarHBondContact N-O 3.17Å; R43-V87 PolarHBondContact O-N 3.19Å
44L93.1Very high88.6Confident20 Ų2050.2 Ų50.211%0.10527%0.267CS..EExtended strand (participates in β ladder)trans-102.4129.5-176.3-73.7173.5000110.4P10 I35 V68 Y69 A86P10-L44 HydrophobicContact CB-CD2 3.54Å; P10-L44 HydrophobicContact CG-CD2 4.08Å; I35-L44 HydrophobicContact CB-CD1 4.46Å; I35-L44 HydrophobicContact CG2-CD1 4.09Å; I35-L44 HydrophobicContact CG2-CD2 4.15Å; I35-L44 VanDerWaalsContact O-CD1 3.22Å; I35-L44 WeakPolarHBondContact O-CD1 3.3Å; L44-V68 CarbonylContact O-C 3.58Å; L44-V68 WeakPolarHBondContact O-CA 3.25Å; L44-Y69 HydrophobicContact CB-CD1 4.31Å; L44-Y69 HydrophobicContact CB-CG 4.43Å; L44-Y69 HydrophobicContact CD1-CD1 3.75Å; L44-Y69 HydrophobicContact CD1-CE1 4.35Å; L44-Y69 HydrophobicContact CD1-CG 4.47Å; L44-Y69 PolarHBondContact O-N 3.01Å; L44-A86 HydrophobicContact CD2-CB 4.08Å
45Y94.1Very high88.5Confident25 Ų2548 Ų4810%0.09826%0.258CS..EExtended strand (participates in β ladder)trans-125.5135.7-179.5-64.7-98.7000110.1R43 P55 T66 Y67 V68 A84 M85 V87R43-Y45 HydrophobicContact CB-CD2 4.42Å; R43-Y45 HydrophobicContact CB-CE2 3.6Å; Y45-P55 HydrophobicContact CD1-CB 3.78Å; Y45-P55 HydrophobicContact CD1-CG 3.97Å; Y45-P55 HydrophobicContact CD2-CB 3.98Å; Y45-P55 HydrophobicContact CD2-CG 3.71Å; Y45-P55 HydrophobicContact CE1-CB 3.69Å; Y45-P55 HydrophobicContact CE1-CG 4.34Å; Y45-P55 HydrophobicContact CE2-CB 3.93Å; Y45-P55 HydrophobicContact CE2-CG 4.14Å; Y45-P55 HydrophobicContact CG-CB 3.91Å; Y45-P55 HydrophobicContact CG-CG 3.62Å; Y45-T66 HydrophobicContact CD1-CG2 4.25Å; Y45-Y67 CarbonylContact C-O 3.57Å; Y45-Y67 VanDerWaalsContact CA-O 3.26Å; Y45-Y67 WeakPolarHBondContact CA-O 3.45Å; Y45-V68 HydrophobicContact CD1-CG2 3.81Å; Y45-V68 HydrophobicContact CE1-CG2 3.52Å; Y45-A84 CarbonylContact O-C 3.57Å; Y45-A84 VanDerWaalsContact O-CA 3.28Å; Y45-A84 WeakPolarHBondContact O-CA 3.35Å; Y45-M85 PolarHBondContact N-O 3.31Å; Y45-M85 PolarHBondContact O-N 3.27Å; Y45-V87 HydrophobicContact CD2-CB 4.33Å; Y45-V87 HydrophobicContact CD2-CG2 3.85Å; Y45-V87 HydrophobicContact CE2-CB 3.98Å; Y45-V87 HydrophobicContact CE2-CG2 3.87Å
46F95.3Very high88.4Confident1 Ų154.5 Ų54.50%0.00428%0.282CS..EExtended strand (participates in β ladder)trans-144.5162.6-176.577.7-76.8000114.5I35 T48 T66 Y67 Y69 F73 V82 K83 A84 I193I35-F46 HydrophobicContact CD1-CB 3.61Å; I35-F46 HydrophobicContact CD1-CD1 3.98Å; I35-F46 HydrophobicContact CD1-CD2 4.07Å; I35-F46 HydrophobicContact CD1-CG 3.62Å; F46-T48 HydrophobicContact CD2-CG2 4.03Å; F46-T48 HydrophobicContact CE2-CG2 3.78Å; F46-T66 WeakPolarHBondContact O-CA 3.45Å; F46-Y67 WeakPolarHBondContact CD1-O 3.39Å; F46-Y67 HydrophobicContact CZ-CG 4.47Å; F46-Y67 PolarHBondContact N-O 3.32Å; F46-Y67 PolarHBondContact O-N 2.78Å; F46-Y69 HydrophobicContact CE1-CD2 4.41Å; F46-F73 HydrophobicContact CD2-CE1 4.12Å; F46-F73 HydrophobicContact CD2-CE2 4.28Å; F46-F73 AromaticContact CD2-CZ 3.67Å; F46-F73 HydrophobicContact CD2-CZ 3.67Å; F46-F73 HydrophobicContact CE1-CE1 4.42Å; F46-F73 HydrophobicContact CE2-CD1 4.21Å; F46-F73 HydrophobicContact CE2-CD2 4.2Å; F46-F73 AromaticContact CE2-CE1 3.61Å; F46-F73 HydrophobicContact CE2-CE1 3.61Å; F46-F73 AromaticContact CE2-CE2 3.58Å; F46-F73 HydrophobicContact CE2-CE2 3.58Å; F46-F73 HydrophobicContact CE2-CG 4.49Å; F46-F73 AromaticContact CE2-CZ 3.26Å; F46-F73 HydrophobicContact CE2-CZ 3.26Å; F46-F73 HydrophobicContact CZ-CD1 4.03Å; F46-F73 AromaticContact CZ-CE1 3.78Å; F46-F73 HydrophobicContact CZ-CE1 3.78Å; F46-F73 HydrophobicContact CZ-CE2 4.29Å; F46-F73 HydrophobicContact CZ-CG 4.42Å; F46-F73 AromaticContact CZ-CZ 3.92Å; F46-F73 HydrophobicContact CZ-CZ 3.92Å; F46-V82 HydrophobicContact CD2-CG1 4.27Å; F46-K83 CarbonylContact C-O 3.59Å; F46-K83 WeakPolarHBondContact CA-O 3.42Å; F46-K83 VanDerWaalsContact CB-O 3.31Å; F46-K83 WeakPolarHBondContact CB-O 3.43Å; F46-A84 HydrophobicContact CB-CB 4.04Å; F46-I193 HydrophobicContact CE1-CG2 4.41Å; F46-I193 HydrophobicContact CE2-CD1 4.4Å; F46-I193 HydrophobicContact CE2-CG1 4.34Å; F46-I193 HydrophobicContact CZ-CD1 4.26Å; F46-I193 HydrophobicContact CZ-CG1 4.07Å; F46-I193 HydrophobicContact CZ-CG2 3.8Å
47T92.9Very high88.3Confident0 Ų058.4 Ų58.40%030%0.295CS..EExtended strand (participates in β ladder)trans-130.5163167.479.90000108.8N49 K51 P53 V65 V82 K83T47-N49 WeakPolarHBondContact CB-OD1 3.45Å; T47-N49 PolarHBondContact OG1-OD1 3.01Å; T47-K51 WeakPolarHBondContact CG2-O 3.43Å; T47-K51 PolarHBondContact OG1-O 2.93Å; T47-P53 HydrophobicContact CG2-CB 3.95Å; T47-V65 WeakPolarHBondContact CG2-O 3.34Å; T47-V82 CarbonylContact O-C 3.56Å; T47-V82 VanDerWaalsContact O-CA 3.26Å; T47-V82 WeakPolarHBondContact O-CA 3.45Å; T47-K83 PolarHBondContact N-O 2.92Å; T47-K83 PolarHBondContact O-N 2.75Å
48T87.4Confident88.2Confident3 Ų361.4 Ų61.42%0.01830%0.302CS..SBendtrans-123.2-7.7177.654.90000112.1F46 F73 L75 V81 N187 T191F46-T48 HydrophobicContact CD2-CG2 4.03Å; F46-T48 HydrophobicContact CE2-CG2 3.78Å; T48-F73 HydrophobicContact CG2-CE2 3.92Å; T48-L75 HydrophobicContact CG2-CD2 4.45Å; T48-V81 CarbonylContact C-O 3.57Å; T48-V81 WeakPolarHBondContact CA-O 3.49Å; T48-V81 VanDerWaalsContact O-O 3.07Å; T48-N187 PolarHBondContact OG1-ND2 3.08Å; T48-N187 PolarHBondContact OG1-OD1 3.38Å; T48-T191 HydrophobicContact CG2-CG2 3.84Å
49N81Confident87.9Confident46 Ų4663 Ų6325%0.24631%0.305CS..BIsolated β-bridgetrans-89.12.3-179.864.918.5000113T47 K51 H188T47-N49 WeakPolarHBondContact CB-OD1 3.45Å; T47-N49 PolarHBondContact OG1-OD1 3.01Å; N49-K51 VanDerWaalsContact C-N 3.29Å; N49-K51 PolarHBondContact O-N 2.89Å; N49-K51 VanDerWaalsContact OD1-CB 3.28Å; N49-K51 WeakPolarHBondContact OD1-CB 3.42Å; N49-K51 PolarHBondContact OD1-N 2.92Å; N49-H188 PolarHBondContact ND2-CD2 3.4Å; N49-H188 PolarHBondContact ND2-NE2 3.09Å
50G81.4Confident87.4Confident22 Ų2264.3 Ų64.323%0.22731%0.313CS..SBendtrans75.8-2.9-17800000116.8V81 K83G50-V81 PolarHBondContact N-O 2.87Å; G50-K83 WeakPolarHBondContact O-CD 3.42Å; G50-K83 WeakPolarHBondContact O-CE 3.26Å; G50-K83 PolarHBondContact O-NZ 3.09Å
51K88.9Confident87.2Confident137 Ų13767.3 Ų67.360%0.59632%0.323SS*.SBendtrans-73.3152.2168.6-61.7-177177.5179.40109.8T47 N49 K83T47-K51 WeakPolarHBondContact CG2-O 3.43Å; T47-K51 PolarHBondContact OG1-O 2.93Å; N49-K51 VanDerWaalsContact C-N 3.29Å; N49-K51 PolarHBondContact O-N 2.89Å; N49-K51 VanDerWaalsContact OD1-CB 3.28Å; N49-K51 WeakPolarHBondContact OD1-CB 3.42Å; N49-K51 PolarHBondContact OD1-N 2.92Å; K51-K83 WeakPolarHBondContact O-CD 3.41Å
52N92Very high86.6Confident101 Ų10164.9 Ų64.954%0.5433%0.326SS..PPolyproline II helixtrans-67.5137.7175.5-66.6-5.5000109.6K83N52-K83 WeakPolarHBondContact OD1-CD 3.35Å; N52-K83 PolarHBondContact OD1-NZ 3.5Å
53P92.5Very high85.4Confident6 Ų670 Ų704%0.03934%0.34CS..PPolyproline II helixtrans-60137.717224-32.2000110.4T47 T66 M85 T97T47-P53 HydrophobicContact CG2-CB 3.95Å; P53-T66 WeakPolarHBondContact CA-OG1 3.23Å; P53-T66 HydrophobicContact CB-CG2 3.53Å; P53-M85 HydrophobicContact CB-CG 4.14Å; P53-M85 HydrophobicContact CG-CB 4.15Å; P53-M85 HydrophobicContact CG-CE 4.19Å; P53-M85 HydrophobicContact CG-CG 3.66Å; P53-M85 HydrophobicContact CG-SD 4.26Å; P53-M85 WeakPolarHBondContact O-CE 3.3Å; P53-T97 HydrophobicContact CG-CG2 4.13Å
54N92Very high84.8Confident67 Ų6765.3 Ų65.336%0.35832%0.324SS..  trans-123.493.9171.9-171.7-34.6000109.7W56 K57 R58 T66N54-W56 PolarHBondContact O-N 2.95Å; N54-W56 VanDerWaalsContact O-N 3.16Å; N54-W56 PolarHBondContact OD1-N 2.87Å; N54-K57 HydrophobicContact CB-CB 4.31Å; N54-K57 CarbonylContact O-C 3.14Å; N54-K57 VanDerWaalsContact O-C 3.25Å; N54-K57 PolarHBondContact O-N 3.29Å; N54-K57 PolarHBondContact OD1-N 3.44Å; N54-R58 PolarHBondContact O-N 3.32Å; N54-T66 PolarHBondContact N-OG1 3.48Å
55P88.9Confident84.3Confident14 Ų1465.2 Ų65.29%0.09132%0.324CS..THydrogen-bonded Turntrans-48.3-34175.4-30.531.9000115.6Y45 M85 V87Y45-P55 HydrophobicContact CD1-CB 3.78Å; Y45-P55 HydrophobicContact CD1-CG 3.97Å; Y45-P55 HydrophobicContact CD2-CB 3.98Å; Y45-P55 HydrophobicContact CD2-CG 3.71Å; Y45-P55 HydrophobicContact CE1-CB 3.69Å; Y45-P55 HydrophobicContact CE1-CG 4.34Å; Y45-P55 HydrophobicContact CE2-CB 3.93Å; Y45-P55 HydrophobicContact CE2-CG 4.14Å; Y45-P55 HydrophobicContact CG-CB 3.91Å; Y45-P55 HydrophobicContact CG-CG 3.62Å; P55-M85 WeakPolarHBondContact CD-SD 3.14Å; P55-M85 HydrophobicContact CG-CG 4.28Å; P55-M85 HydrophobicContact CG-SD 3.39Å; P55-M85 WeakPolarHBondContact CG-SD 3.36Å; P55-V87 HydrophobicContact CB-CG2 4.08Å; P55-V87 HydrophobicContact CG-CG2 3.56Å
56W90.6Very high84.1Confident141 Ų14164.2 Ų64.253%0.53432%0.32SS..THydrogen-bonded Turntrans-90.6-12.5-178-48.1-90000113.3N54 V87 E94N54-W56 PolarHBondContact O-N 2.95Å; N54-W56 VanDerWaalsContact O-N 3.16Å; N54-W56 PolarHBondContact OD1-N 2.87Å; W56-V87 HydrophobicContact CH2-CG2 4Å; W56-V87 HydrophobicContact CZ2-CG1 4.24Å; W56-V87 HydrophobicContact CZ2-CG2 4.15Å; W56-E94 HydrophobicContact CH2-CG 3.5Å; W56-E94 VanDerWaalsContact CH2-CG 3.5Å; W56-E94 VanDerWaalsContact CH2-OE1 3.29Å; W56-E94 WeakPolarHBondContact CH2-OE1 3.33Å; W56-E94 WeakPolarHBondContact CH2-OE2 3.32Å; W56-E94 HydrophobicContact CZ2-CG 4.08Å; W56-E94 HydrophobicContact CZ3-CG 4.38Å; W56-E94 WeakPolarHBondContact CZ3-OE1 3.35Å
57K87.8Confident83.7Confident128 Ų12864.6 Ų64.656%0.55732%0.322SS*.  trans-133.261.8176.6-162174-176.4175.60111.1N54 K59 V60N54-K57 HydrophobicContact CB-CB 4.31Å; N54-K57 CarbonylContact O-C 3.14Å; N54-K57 VanDerWaalsContact O-C 3.25Å; N54-K57 PolarHBondContact O-N 3.29Å; N54-K57 PolarHBondContact OD1-N 3.44Å; K57-K59 PolarHBondContact O-N 3.41Å; K57-V60 HydrophobicContact CG-CG2 4.43Å
58R87.9Confident83.5Confident90 Ų9065.9 Ų65.934%0.3433%0.33SS..  trans-63.3-34.5-179.1-73.2177.159.9-164.7-0114.2N54 E64 V65 T66N54-R58 PolarHBondContact O-N 3.32Å; R58-E64 IonicContact CZ-OE1 2.63Å; R58-E64 VanDerWaalsContact CZ-OE1 3.25Å; R58-E64 IonicContact NE-OE1 3.5Å; R58-E64 PolarHBondContact NE-OE1 3.08Å; R58-E64 IonicContact NH2-OE1 3.52Å; R58-E64 PolarHBondContact NH2-OE1 3.44Å; R58-E64 IonicContact NH2-OE2 3.16Å; R58-E64 CarbonylContact O-C 3.25Å; R58-E64 WeakPolarHBondContact O-CA 3.41Å; R58-V65 VanDerWaalsContact O-CG2 3.23Å; R58-V65 WeakPolarHBondContact O-CG2 3.5Å; R58-V65 PolarHBondContact O-N 3.3Å; R58-T66 WeakPolarHBondContact CB-O 3.29Å; R58-T66 VanDerWaalsContact CG-O 3.28Å; R58-T66 WeakPolarHBondContact CG-O 3.46Å; R58-T66 PolarHBondContact NE-O 2.92Å; R58-T66 PolarHBondContact O-N 3.24Å
59K80.9Confident83.6Confident134 Ų13467.4 Ų67.458%0.58334%0.335SS*.EExtended strand (participates in β ladder)trans-106.5138.1178.1-64.4-171.9176.2-170.40111.6K57 R63 E64K57-K59 PolarHBondContact O-N 3.41Å; K59-R63 CarbonylContact C-O 3.58Å; K59-R63 VanDerWaalsContact CA-O 3.23Å; K59-R63 WeakPolarHBondContact CA-O 3.27Å; K59-E64 HydrophobicContact CG-CB 4.35Å
60V74.2Confident83.4Confident48 Ų4869.7 Ų69.729%0.29134%0.343SS..EExtended strand (participates in β ladder)trans-134.6129.5171.7172.90000106.4K57 G62 R63 V65K57-V60 HydrophobicContact CG-CG2 4.43Å; V60-G62 VanDerWaalsContact C-N 3.28Å; V60-G62 PolarHBondContact O-N 3.33Å; V60-R63 PolarHBondContact N-O 3.25Å; V60-R63 PolarHBondContact O-N 2.9Å; V60-R63 VanDerWaalsContact O-O 3.06Å; V60-V65 HydrophobicContact CB-CG1 4.01Å; V60-V65 HydrophobicContact CB-CG2 3.98Å; V60-V65 HydrophobicContact CG2-CG1 4.47Å; V60-V65 HydrophobicContact CG2-CG2 3.62Å
61D75Confident83.1Confident159 Ų15969.2 Ų69.285%0.8534%0.337SS*.THydrogen-bonded Turntrans52.545.1-178.2-45.5-32.3000112.7R63D61-R63 PolarHBondContact O-N 3.4Å
62G66.8Low82.9Confident65 Ų6563.6 Ų63.667%0.6731%0.314SS*.THydrogen-bonded Turntrans76.4-22.6-177.700000115.4V60V60-G62 VanDerWaalsContact C-N 3.28Å; V60-G62 PolarHBondContact O-N 3.33Å
63R60.3Low82.5Confident130 Ų13058.9 Ų58.949%0.49129%0.289SS..EExtended strand (participates in β ladder)trans-92.5141.6-174.9-60.7-178.4-174.9174.23.4111.7K59 V60 D61 V65K59-R63 CarbonylContact C-O 3.58Å; K59-R63 VanDerWaalsContact CA-O 3.23Å; K59-R63 WeakPolarHBondContact CA-O 3.27Å; V60-R63 PolarHBondContact N-O 3.25Å; V60-R63 PolarHBondContact O-N 2.9Å; V60-R63 VanDerWaalsContact O-O 3.06Å; D61-R63 PolarHBondContact O-N 3.4Å; R63-V65 PolarHBondContact O-N 2.93Å
64E77.2Confident82Confident34 Ų3459.3 Ų59.316%0.15929%0.293CS..EExtended strand (participates in β ladder)trans-70.2127.5172.5-166.8161.8171.300110R58 K59 T66 Y67 H188R58-E64 IonicContact CZ-OE1 2.63Å; R58-E64 VanDerWaalsContact CZ-OE1 3.25Å; R58-E64 IonicContact NE-OE1 3.5Å; R58-E64 PolarHBondContact NE-OE1 3.08Å; R58-E64 IonicContact NH2-OE1 3.52Å; R58-E64 PolarHBondContact NH2-OE1 3.44Å; R58-E64 IonicContact NH2-OE2 3.16Å; R58-E64 CarbonylContact O-C 3.25Å; R58-E64 WeakPolarHBondContact O-CA 3.41Å; K59-E64 HydrophobicContact CG-CB 4.35Å; E64-T66 WeakPolarHBondContact CG-O 3.16Å; E64-Y67 HydrophobicContact CB-CD1 4.3Å; E64-Y67 HydrophobicContact CB-CE1 3.73Å; E64-Y67 HydrophobicContact CG-CD1 3.7Å; E64-Y67 HydrophobicContact CG-CE1 3.64Å; E64-Y67 HydrophobicContact CG-CG 4.38Å; E64-Y67 PolarHBondContact O-OH 2.95Å; E64-Y67 WeakPolarHBondContact OE1-CA 3.4Å; E64-H188 PolarHBondContact O-CE1 3.27Å; E64-H188 VanDerWaalsContact O-CE1 3.23Å
65V82.4Confident81.5Confident19 Ų1956.3 Ų56.312%0.11528%0.277CS..  trans-115.3-23178.6-73.10000112.4T47 R58 V60 R63T47-V65 WeakPolarHBondContact CG2-O 3.34Å; R58-V65 VanDerWaalsContact O-CG2 3.23Å; R58-V65 WeakPolarHBondContact O-CG2 3.5Å; R58-V65 PolarHBondContact O-N 3.3Å; V60-V65 HydrophobicContact CB-CG1 4.01Å; V60-V65 HydrophobicContact CB-CG2 3.98Å; V60-V65 HydrophobicContact CG2-CG1 4.47Å; V60-V65 HydrophobicContact CG2-CG2 3.62Å; R63-V65 PolarHBondContact O-N 2.93Å
66T90.1Very high81Confident3 Ų360.6 Ų60.62%0.01829%0.291CS..SBendtrans-125.4120172.9-58.80000109.1Y45 F46 P53 N54 R58 E64Y45-T66 HydrophobicContact CD1-CG2 4.25Å; F46-T66 WeakPolarHBondContact O-CA 3.45Å; P53-T66 WeakPolarHBondContact CA-OG1 3.23Å; P53-T66 HydrophobicContact CB-CG2 3.53Å; N54-T66 PolarHBondContact N-OG1 3.48Å; R58-T66 WeakPolarHBondContact CB-O 3.29Å; R58-T66 VanDerWaalsContact CG-O 3.28Å; R58-T66 WeakPolarHBondContact CG-O 3.46Å; R58-T66 PolarHBondContact NE-O 2.92Å; R58-T66 PolarHBondContact O-N 3.24Å; E64-T66 WeakPolarHBondContact CG-O 3.16Å
67Y87.5Confident80.5Confident10 Ų1056 Ų564%0.03928%0.279CS..EExtended strand (participates in β ladder)trans-100.4146.4-173.9-58.9-83.5000110.9Y45 F46 E64 N187 I193Y45-Y67 CarbonylContact C-O 3.57Å; Y45-Y67 VanDerWaalsContact CA-O 3.26Å; Y45-Y67 WeakPolarHBondContact CA-O 3.45Å; F46-Y67 WeakPolarHBondContact CD1-O 3.39Å; F46-Y67 HydrophobicContact CZ-CG 4.47Å; F46-Y67 PolarHBondContact N-O 3.32Å; F46-Y67 PolarHBondContact O-N 2.78Å; E64-Y67 HydrophobicContact CB-CD1 4.3Å; E64-Y67 HydrophobicContact CB-CE1 3.73Å; E64-Y67 HydrophobicContact CG-CD1 3.7Å; E64-Y67 HydrophobicContact CG-CE1 3.64Å; E64-Y67 HydrophobicContact CG-CG 4.38Å; E64-Y67 PolarHBondContact O-OH 2.95Å; E64-Y67 WeakPolarHBondContact OE1-CA 3.4Å; Y67-N187 HydrophobicContact CE2-CB 3.63Å; Y67-N187 VanDerWaalsContact OH-CA 3.23Å; Y67-N187 WeakPolarHBondContact OH-CA 3.42Å; Y67-N187 WeakPolarHBondContact OH-CB 3.47Å; Y67-I193 HydrophobicContact CD1-CD1 3.53Å; Y67-I193 HydrophobicContact CD1-CG2 4.44Å; Y67-I193 HydrophobicContact CD2-CD1 3.45Å; Y67-I193 VanDerWaalsContact CD2-CD1 3.45Å; Y67-I193 HydrophobicContact CE1-CD1 3.53Å; Y67-I193 HydrophobicContact CE2-CD1 3.48Å; Y67-I193 VanDerWaalsContact CE2-CD1 3.48Å; Y67-I193 HydrophobicContact CG-CD1 3.47Å; Y67-I193 VanDerWaalsContact CG-CD1 3.47Å
68V89.3Confident80.3Confident27 Ų2751.4 Ų51.416%0.16427%0.269CS..EExtended strand (participates in β ladder)trans-84.3123.5166.8176.40000107.7L44 Y45 K70L44-V68 CarbonylContact O-C 3.58Å; L44-V68 WeakPolarHBondContact O-CA 3.25Å; Y45-V68 HydrophobicContact CD1-CG2 3.81Å; Y45-V68 HydrophobicContact CE1-CG2 3.52Å; V68-K70 PolarHBondContact O-N 3.45Å
69Y88.3Confident80.3Confident34 Ų3456 Ų5613%0.13329%0.291CS..PPolyproline II helixtrans-70.6129.8175175.5-91.9000110.3E34 I35 L44 F46 A71 F73E34-Y69 WeakPolarHBondContact CA-OH 3.49Å; E34-Y69 WeakPolarHBondContact CG-OH 3.28Å; I35-Y69 HydrophobicContact CB-CD1 4.13Å; I35-Y69 HydrophobicContact CB-CD2 3.67Å; I35-Y69 HydrophobicContact CB-CE1 4.28Å; I35-Y69 HydrophobicContact CB-CE2 3.81Å; I35-Y69 HydrophobicContact CB-CG 3.82Å; I35-Y69 HydrophobicContact CD1-CD2 3.77Å; I35-Y69 HydrophobicContact CD1-CE2 4.43Å; I35-Y69 HydrophobicContact CD1-CG 4.28Å; I35-Y69 HydrophobicContact CG1-CD2 3.71Å; I35-Y69 HydrophobicContact CG1-CE2 3.89Å; I35-Y69 HydrophobicContact CG1-CG 4.3Å; I35-Y69 VanDerWaalsContact N-CE2 3.3Å; I35-Y69 PolarHBondContact N-OH 3.14Å; I35-Y69 WeakPolarHBondContact O-CD1 3.38Å; I35-Y69 WeakPolarHBondContact O-CE1 3.34Å; L44-Y69 HydrophobicContact CB-CD1 4.31Å; L44-Y69 HydrophobicContact CB-CG 4.43Å; L44-Y69 HydrophobicContact CD1-CD1 3.75Å; L44-Y69 HydrophobicContact CD1-CE1 4.35Å; L44-Y69 HydrophobicContact CD1-CG 4.47Å; L44-Y69 PolarHBondContact O-N 3.01Å; F46-Y69 HydrophobicContact CE1-CD2 4.41Å; Y69-A71 WeakPolarHBondContact CE2-O 3.31Å; Y69-F73 HydrophobicContact CD2-CD1 4.17Å; Y69-F73 HydrophobicContact CD2-CE1 4.01Å; Y69-F73 HydrophobicContact CE2-CD1 4.11Å; Y69-F73 HydrophobicContact CE2-CE1 4.14Å
70K78.3Confident80.5Confident95 Ų9551.6 Ų51.641%0.41327%0.271SS..  trans-129.5-32.6-178.8-74.5177.9170-168.30113.3V68 L195V68-K70 PolarHBondContact O-N 3.45Å; K70-L195 WeakPolarHBondContact CD-O 3.46Å; K70-L195 VanDerWaalsContact CE-O 3.31Å; K70-L195 WeakPolarHBondContact CE-O 3.44Å; K70-L195 PolarHBondContact NZ-O 2.84Å
71A74.9Confident81.3Confident11 Ų1151 Ų519%0.09127%0.268CS..SBendtrans-154.4164.2177.900000109.8Y69 N194Y69-A71 WeakPolarHBondContact CE2-O 3.31Å; A71-N194 HydrophobicContact CB-CB 4.04Å
72P84.1Confident82.2Confident19 Ų1943.5 Ų43.512%0.12323%0.227CC..  trans-56150.2172.4-23.533.9000112.5L15 F32 I33 E34 N194L15-P72 HydrophobicContact CD1-CB 3.89Å; L15-P72 HydrophobicContact CD1-CG 3.8Å; F32-P72 HydrophobicContact CB-CB 3.91Å; F32-P72 HydrophobicContact CD1-CB 4.21Å; F32-P72 HydrophobicContact CG-CB 4.43Å; I33-P72 VanDerWaalsContact O-CA 3.28Å; I33-P72 WeakPolarHBondContact O-CA 3.34Å; E34-P72 HydrophobicContact CB-CG 4.41Å; E34-P72 HydrophobicContact CG-CG 4.35Å; P72-N194 PolarHBondContact O-ND2 3.25Å
73F83.1Confident83.6Confident3 Ų342.2 Ų42.21%0.01320%0.203CC..EExtended strand (participates in β ladder)trans-144.1140.2-175.363.7-82.9000112.6I33 I35 F46 T48 Y69 L75 V82 T191I33-F73 HydrophobicContact CB-CD1 4.5Å; I33-F73 HydrophobicContact CB-CE1 4.13Å; I33-F73 HydrophobicContact CB-CE2 4.23Å; I33-F73 HydrophobicContact CB-CZ 3.99Å; I33-F73 WeakPolarHBondContact CB-O 3.46Å; I33-F73 HydrophobicContact CG2-CE1 4.09Å; I33-F73 HydrophobicContact CG2-CZ 3.88Å; I33-F73 PolarHBondContact N-O 2.98Å; I33-F73 VanDerWaalsContact O-CD1 3.27Å; I33-F73 WeakPolarHBondContact O-CD1 3.13Å; I33-F73 WeakPolarHBondContact O-CE1 3.45Å; I33-F73 PolarHBondContact O-N 3.05Å; I33-F73 VanDerWaalsContact O-N 3.13Å; I35-F73 HydrophobicContact CD1-CE1 3.82Å; I35-F73 HydrophobicContact CD1-CZ 4.17Å; I35-F73 HydrophobicContact CG1-CE1 4.11Å; F46-F73 HydrophobicContact CD2-CE1 4.12Å; F46-F73 HydrophobicContact CD2-CE2 4.28Å; F46-F73 AromaticContact CD2-CZ 3.67Å; F46-F73 HydrophobicContact CD2-CZ 3.67Å; F46-F73 HydrophobicContact CE1-CE1 4.42Å; F46-F73 HydrophobicContact CE2-CD1 4.21Å; F46-F73 HydrophobicContact CE2-CD2 4.2Å; F46-F73 AromaticContact CE2-CE1 3.61Å; F46-F73 HydrophobicContact CE2-CE1 3.61Å; F46-F73 AromaticContact CE2-CE2 3.58Å; F46-F73 HydrophobicContact CE2-CE2 3.58Å; F46-F73 HydrophobicContact CE2-CG 4.49Å; F46-F73 AromaticContact CE2-CZ 3.26Å; F46-F73 HydrophobicContact CE2-CZ 3.26Å; F46-F73 HydrophobicContact CZ-CD1 4.03Å; F46-F73 AromaticContact CZ-CE1 3.78Å; F46-F73 HydrophobicContact CZ-CE1 3.78Å; F46-F73 HydrophobicContact CZ-CE2 4.29Å; F46-F73 HydrophobicContact CZ-CG 4.42Å; F46-F73 AromaticContact CZ-CZ 3.92Å; F46-F73 HydrophobicContact CZ-CZ 3.92Å; T48-F73 HydrophobicContact CG2-CE2 3.92Å; Y69-F73 HydrophobicContact CD2-CD1 4.17Å; Y69-F73 HydrophobicContact CD2-CE1 4.01Å; Y69-F73 HydrophobicContact CE2-CD1 4.11Å; Y69-F73 HydrophobicContact CE2-CE1 4.14Å; F73-L75 HydrophobicContact CD2-CD2 4.06Å; F73-L75 HydrophobicContact CE2-CD2 3.61Å; F73-V82 HydrophobicContact CE2-CG2 4.49Å; F73-V82 HydrophobicContact CZ-CG1 4.11Å; F73-V82 HydrophobicContact CZ-CG2 4.43Å; F73-T191 HydrophobicContact CD2-CG2 3.98Å; F73-T191 HydrophobicContact CE2-CG2 4.22Å
74A82.1Confident85.3Confident14 Ų1436 Ų3612%0.11618%0.18CC..EExtended strand (participates in β ladder)trans-81.3147.5178.800000112.3T29 F32 T191T29-A74 WeakPolarHBondContact O-CB 3.28Å; F32-A74 HydrophobicContact CE1-CB 4.49Å; A74-T191 WeakPolarHBondContact O-CG2 3.46Å
75L82.3Confident86.2Confident4 Ų434.9 Ų34.92%0.02118%0.175CC..PPolyproline II helixtrans-98.5144.8177-60.1-175.8000111.2I27 I33 T48 F73 R80 V82 F102 V104 T191I27-L75 HydrophobicContact CD1-CB 4.45Å; I27-L75 HydrophobicContact CD1-CD1 3.98Å; I27-L75 HydrophobicContact CD1-CG 4.38Å; I33-L75 HydrophobicContact CD1-CD1 4.38Å; I33-L75 HydrophobicContact CG1-CD1 3.91Å; I33-L75 HydrophobicContact CG1-CD2 4.29Å; I33-L75 HydrophobicContact CG1-CG 3.76Å; T48-L75 HydrophobicContact CG2-CD2 4.45Å; F73-L75 HydrophobicContact CD2-CD2 4.06Å; F73-L75 HydrophobicContact CE2-CD2 3.61Å; L75-R80 HydrophobicContact CB-CG 4.29Å; L75-R80 HydrophobicContact CD1-CB 3.89Å; L75-V82 HydrophobicContact CD1-CG2 3.99Å; L75-V82 HydrophobicContact CD2-CG2 3.93Å; L75-F102 HydrophobicContact CD1-CB 3.89Å; L75-F102 HydrophobicContact CD1-CD2 3.45Å; L75-F102 VanDerWaalsContact CD1-CD2 3.45Å; L75-F102 HydrophobicContact CD1-CE2 4.07Å; L75-F102 HydrophobicContact CD1-CG 3.77Å; L75-V104 HydrophobicContact CB-CG2 3.65Å; L75-V104 HydrophobicContact CD1-CG2 4.17Å; L75-V104 WeakPolarHBondContact O-CG1 3.43Å; L75-T191 WeakPolarHBondContact CA-OG1 3.35Å; L75-T191 HydrophobicContact CD2-CG2 3.48Å; L75-T191 VanDerWaalsContact CD2-CG2 3.48Å
76R76.9Confident86.7Confident105 Ų10534 Ų3440%0.39617%0.169SC..PPolyproline II helixtrans-73.5157.2172.1-90.3-158.1-158.7166.211.9112.8R80 V104 G190 T191R76-R80 VanDerWaalsContact CB-NH2 3.28Å; R76-R80 WeakPolarHBondContact O-CG 3.47Å; R76-R80 PolarHBondContact O-NE 3.13Å; R76-V104 WeakPolarHBondContact O-CB 3.48Å; R76-V104 WeakPolarHBondContact O-CG2 3.46Å; R76-G190 VanDerWaalsContact CD-C 3.47Å; R76-G190 VanDerWaalsContact CZ-O 3.3Å; R76-G190 PolarHBondContact NE-O 2.94Å; R76-G190 PolarHBondContact NH2-O 2.68Å; R76-T191 PolarHBondContact N-OG1 2.64Å
77P80.8Confident86.8Confident43 Ų4334 Ų3428%0.27917%0.17SC..SBendtrans-50.7149.3-179.3-27.734.1000115.5T29 R80 D106T29-P77 VanDerWaalsContact CG2-CD 3.5Å; T29-P77 HydrophobicContact CG2-CG 3.5Å; P77-R80 PolarHBondContact O-NH1 3.43Å; P77-R80 PolarHBondContact O-NH2 2.89Å; P77-D106 HydrophobicContact CB-CB 4.27Å; P77-D106 HydrophobicContact CG-CB 4.07Å; P77-D106 VanDerWaalsContact CG-OD1 3.26Å; P77-D106 WeakPolarHBondContact CG-OD1 3.45Å
78G84.2Confident86.9Confident33 Ų3335.5 Ų35.534%0.3418%0.177SC..EExtended strand (participates in β ladder)trans98-163.3176.900000114.2R80 V104G78-R80 PolarHBondContact O-N 3.3Å; G78-V104 PolarHBondContact N-O 2.81Å; G78-V104 PolarHBondContact O-N 3.43Å
79K87.4Confident86.5Confident186 Ų18636.6 Ų36.681%0.80919%0.186SC*.EExtended strand (participates in β ladder)trans-75.2124.9179.6-66.1175.1-176.4170.90109.2F102K79-F102 WeakPolarHBondContact CA-O 3.35Å
80R86Confident85.9Confident41 Ų4140.1 Ų40.116%0.15521%0.21CC..EExtended strand (participates in β ladder)trans-128.8147.4178-68.4-66-177.6-70.9-2.7110.6L75 R76 P77 G78 K101 F102 V104 S189L75-R80 HydrophobicContact CB-CG 4.29Å; L75-R80 HydrophobicContact CD1-CB 3.89Å; R76-R80 VanDerWaalsContact CB-NH2 3.28Å; R76-R80 WeakPolarHBondContact O-CG 3.47Å; R76-R80 PolarHBondContact O-NE 3.13Å; P77-R80 PolarHBondContact O-NH1 3.43Å; P77-R80 PolarHBondContact O-NH2 2.89Å; G78-R80 PolarHBondContact O-N 3.3Å; R80-K101 WeakPolarHBondContact O-CA 3.27Å; R80-F102 PolarHBondContact N-O 3.42Å; R80-F102 PolarHBondContact O-N 3.17Å; R80-V104 HydrophobicContact CB-CG2 4.19Å; R80-V104 HydrophobicContact CG-CG2 3.91Å; R80-S189 WeakPolarHBondContact CD-OG 3.24Å; R80-S189 PolarHBondContact NE-O 3.24Å; R80-S189 PolarHBondContact NE-OG 2.83Å; R80-S189 PolarHBondContact NH2-O 3.28Å
81V90.9Very high86.2Confident37 Ų3739.7 Ų39.722%0.22422%0.216CC..EExtended strand (participates in β ladder)trans-132.899.2-176.3-174.60000109.1T48 G50 K83 T99 K101T48-V81 CarbonylContact C-O 3.57Å; T48-V81 WeakPolarHBondContact CA-O 3.49Å; T48-V81 VanDerWaalsContact O-O 3.07Å; G50-V81 PolarHBondContact N-O 2.87Å; V81-K83 HydrophobicContact CG1-CG 4.46Å; V81-T99 HydrophobicContact CG1-CG2 3.65Å; V81-K101 HydrophobicContact CG1-CG 4.28Å; V81-K101 HydrophobicContact CG2-CG 4.15Å
82V92.1Very high86.7Confident0 Ų043.8 Ų43.80%024%0.236CC..EExtended strand (participates in β ladder)trans-83.1126.6174.2-172.80000108.5I12 I35 F46 T47 F73 L75 T99 R100 F102I12-V82 HydrophobicContact CD1-CB 4.07Å; I12-V82 HydrophobicContact CD1-CG1 3.81Å; I12-V82 WeakPolarHBondContact CD1-O 3.25Å; I12-V82 HydrophobicContact CG1-CG1 4.33Å; I12-V82 HydrophobicContact CG2-CB 4.19Å; I12-V82 HydrophobicContact CG2-CG1 4.02Å; I35-V82 HydrophobicContact CD1-CG1 4.31Å; F46-V82 HydrophobicContact CD2-CG1 4.27Å; T47-V82 CarbonylContact O-C 3.56Å; T47-V82 VanDerWaalsContact O-CA 3.26Å; T47-V82 WeakPolarHBondContact O-CA 3.45Å; F73-V82 HydrophobicContact CE2-CG2 4.49Å; F73-V82 HydrophobicContact CZ-CG1 4.11Å; F73-V82 HydrophobicContact CZ-CG2 4.43Å; L75-V82 HydrophobicContact CD1-CG2 3.99Å; L75-V82 HydrophobicContact CD2-CG2 3.93Å; V82-T99 CarbonylContact O-C 3.55Å; V82-T99 WeakPolarHBondContact O-CA 3.42Å; V82-R100 PolarHBondContact N-O 3.28Å; V82-R100 PolarHBondContact O-N 3.41Å; V82-F102 HydrophobicContact CB-CE2 4.22Å; V82-F102 HydrophobicContact CG2-CD2 4.05Å; V82-F102 HydrophobicContact CG2-CE2 3.79Å
83K96.3Very high86.9Confident39 Ų3945.3 Ų45.317%0.1725%0.245CC..EExtended strand (participates in β ladder)trans-119.5129.2170.3-75.8-168.7171.1170.70109.6F46 T47 G50 K51 N52 V81 T97 V98 T99F46-K83 CarbonylContact C-O 3.59Å; F46-K83 WeakPolarHBondContact CA-O 3.42Å; F46-K83 VanDerWaalsContact CB-O 3.31Å; F46-K83 WeakPolarHBondContact CB-O 3.43Å; T47-K83 PolarHBondContact N-O 2.92Å; T47-K83 PolarHBondContact O-N 2.75Å; G50-K83 WeakPolarHBondContact O-CD 3.42Å; G50-K83 WeakPolarHBondContact O-CE 3.26Å; G50-K83 PolarHBondContact O-NZ 3.09Å; K51-K83 WeakPolarHBondContact O-CD 3.41Å; N52-K83 WeakPolarHBondContact OD1-CD 3.35Å; N52-K83 PolarHBondContact OD1-NZ 3.5Å; V81-K83 HydrophobicContact CG1-CG 4.46Å; K83-T97 HydrophobicContact CB-CG2 3.86Å; K83-T97 HydrophobicContact CD-CG2 4.21Å; K83-T97 HydrophobicContact CG-CG2 4.3Å; K83-V98 CarbonylContact C-O 3.47Å; K83-V98 VanDerWaalsContact CA-O 3.27Å; K83-V98 WeakPolarHBondContact CA-O 3.14Å; K83-T99 WeakPolarHBondContact CE-OG1 3.41Å; K83-T99 HydrophobicContact CG-CG2 3.85Å; K83-T99 WeakPolarHBondContact CG-OG1 2.95Å
84A96.2Very high87.4Confident0 Ų049.8 Ų49.80%027%0.266CS..EExtended strand (participates in β ladder)trans-133.2144.3-175.900000112.1P10 I12 I35 Y45 F46 T97 V98P10-A84 HydrophobicContact CG-CB 3.77Å; I12-A84 HydrophobicContact CD1-CB 3.9Å; I12-A84 HydrophobicContact CG1-CB 3.88Å; I35-A84 HydrophobicContact CD1-CB 4.06Å; I35-A84 HydrophobicContact CG2-CB 3.91Å; Y45-A84 CarbonylContact O-C 3.57Å; Y45-A84 VanDerWaalsContact O-CA 3.28Å; Y45-A84 WeakPolarHBondContact O-CA 3.35Å; F46-A84 HydrophobicContact CB-CB 4.04Å; A84-T97 CarbonylContact O-C 3.48Å; A84-T97 WeakPolarHBondContact O-CA 3.45Å; A84-V98 PolarHBondContact N-O 3.37Å; A84-V98 PolarHBondContact O-N 2.89Å
85M95.9Very high87.9Confident10 Ų1049.5 Ų49.55%0.04926%0.263CS..EExtended strand (participates in β ladder)trans-133.7156.5168.966.1169.740.600110.5Y45 P53 P55 V87 T97Y45-M85 PolarHBondContact N-O 3.31Å; Y45-M85 PolarHBondContact O-N 3.27Å; P53-M85 HydrophobicContact CB-CG 4.14Å; P53-M85 HydrophobicContact CG-CB 4.15Å; P53-M85 HydrophobicContact CG-CE 4.19Å; P53-M85 HydrophobicContact CG-CG 3.66Å; P53-M85 HydrophobicContact CG-SD 4.26Å; P53-M85 WeakPolarHBondContact O-CE 3.3Å; P55-M85 WeakPolarHBondContact CD-SD 3.14Å; P55-M85 HydrophobicContact CG-CG 4.28Å; P55-M85 HydrophobicContact CG-SD 3.39Å; P55-M85 WeakPolarHBondContact CG-SD 3.36Å; M85-V87 HydrophobicContact SD-CG2 4.38Å; M85-T97 WeakPolarHBondContact CE-OG1 3.31Å
86A94.7Very high88.4Confident0 Ų056.1 Ų56.10%029%0.294CS..EExtended strand (participates in β ladder)trans-100.5148167.900000109.3I7 A42 R43 L44 E94 S95I7-A86 HydrophobicContact CD1-CB 3.76Å; A42-A86 HydrophobicContact CB-CB 3.99Å; R43-A86 CarbonylContact O-C 3.54Å; R43-A86 WeakPolarHBondContact O-CA 3.31Å; L44-A86 HydrophobicContact CD2-CB 4.08Å; A86-E94 CarbonylContact O-C 3.6Å; A86-S95 PolarHBondContact N-OG 3.07Å; A86-S95 PolarHBondContact O-N 2.94Å
87V92.2Very high89.3Confident4 Ų453.2 Ų53.22%0.02429%0.287CS..EExtended strand (participates in β ladder)trans-130.4124.9168.5-178.60000107.9A42 R43 Y45 P55 W56 M85 S89 V93A42-V87 CarbonylContact C-O 3.55Å; A42-V87 WeakPolarHBondContact CA-O 3.33Å; R43-V87 PolarHBondContact N-O 3.17Å; R43-V87 PolarHBondContact O-N 3.19Å; Y45-V87 HydrophobicContact CD2-CB 4.33Å; Y45-V87 HydrophobicContact CD2-CG2 3.85Å; Y45-V87 HydrophobicContact CE2-CB 3.98Å; Y45-V87 HydrophobicContact CE2-CG2 3.87Å; P55-V87 HydrophobicContact CB-CG2 4.08Å; P55-V87 HydrophobicContact CG-CG2 3.56Å; W56-V87 HydrophobicContact CH2-CG2 4Å; W56-V87 HydrophobicContact CZ2-CG1 4.24Å; W56-V87 HydrophobicContact CZ2-CG2 4.15Å; M85-V87 HydrophobicContact SD-CG2 4.38Å; V87-S89 PolarHBondContact O-N 3.26Å; V87-V93 WeakPolarHBondContact CA-O 3.44Å
88H88.4Confident89.9Confident41 Ų4153.6 Ų53.619%0.1929%0.289CS..EExtended strand (participates in β ladder)trans-69.3123.4179-172.4-75000110.3I7 V90 T91 N92 V93I7-H88 HydrophobicContact CD1-CB 4.22Å; I7-H88 HydrophobicContact CG2-CB 4.12Å; H88-V90 PolarHBondContact ND1-N 3.41Å; H88-V90 PolarHBondContact O-N 3.14Å; H88-V90 VanDerWaalsContact O-N 3.09Å; H88-T91 WeakPolarHBondContact CB-OG1 3.25Å; H88-T91 PolarHBondContact ND1-N 2.9Å; H88-T91 PolarHBondContact ND1-OG1 3.43Å; H88-N92 VanDerWaalsContact O-CA 3.28Å; H88-N92 WeakPolarHBondContact O-CA 3.46Å; H88-N92 PolarHBondContact O-N 3.48Å; H88-V93 PolarHBondContact N-O 3.25Å
89S80.3Confident90.5Very high50 Ų5055.2 Ų55.235%0.3529%0.292SS..THydrogen-bonded Turntrans-60-28.1-168.464.80000115.3N41 V87N41-S89 WeakPolarHBondContact O-CB 3.38Å; N41-S89 PolarHBondContact O-N 2.72Å; N41-S89 PolarHBondContact O-OG 2.97Å; N41-S89 VanDerWaalsContact O-OG 3.07Å; V87-S89 PolarHBondContact O-N 3.26Å
90V76.2Confident90.7Very high108 Ų10851.1 Ų51.166%0.65527%0.272SS*.THydrogen-bonded Turntrans-91.9-57.2-179.7-173.80000112.6H88 N92H88-V90 PolarHBondContact ND1-N 3.41Å; H88-V90 PolarHBondContact O-N 3.14Å; H88-V90 VanDerWaalsContact O-N 3.09Å; V90-N92 VanDerWaalsContact C-N 3.34Å; V90-N92 PolarHBondContact O-N 3.28Å
91T84.4Confident90.9Very high86 Ų8656.6 Ų56.653%0.52830%0.297SS..THydrogen-bonded Turntrans-81.5-9.4-174.759.10000114.2H88 V93H88-T91 WeakPolarHBondContact CB-OG1 3.25Å; H88-T91 PolarHBondContact ND1-N 2.9Å; H88-T91 PolarHBondContact ND1-OG1 3.43Å; T91-V93 PolarHBondContact O-N 2.73Å; T91-V93 WeakPolarHBondContact OG1-CG2 3.26Å
92N86.5Confident90.7Very high96 Ų9655.3 Ų55.351%0.51329%0.288SS..  trans5514.5-171.4-64.8-63.5000115.2H88 V90 E94H88-N92 VanDerWaalsContact O-CA 3.28Å; H88-N92 WeakPolarHBondContact O-CA 3.46Å; H88-N92 PolarHBondContact O-N 3.48Å; V90-N92 VanDerWaalsContact C-N 3.34Å; V90-N92 PolarHBondContact O-N 3.28Å; N92-E94 PolarHBondContact O-N 2.86Å
93V87.8Confident90.5Very high51 Ų5161 Ų6131%0.30931%0.313SS..PPolyproline II helixtrans-65.8130.9176.4175.80000109.8I7 V87 H88 T91I7-V93 WeakPolarHBondContact CD1-O 3.39Å; I7-V93 HydrophobicContact CG1-CG1 4.36Å; I7-V93 HydrophobicContact CG2-CG1 4.42Å; V87-V93 WeakPolarHBondContact CA-O 3.44Å; H88-V93 PolarHBondContact N-O 3.25Å; T91-V93 PolarHBondContact O-N 2.73Å; T91-V93 WeakPolarHBondContact OG1-CG2 3.26Å
94E93.1Very high89.9Confident98 Ų9859.5 Ų59.546%0.45831%0.307SS..BIsolated β-bridgetrans-87.8151.3-180-43.3-173.4-147.800112.1W56 A86 N92W56-E94 HydrophobicContact CH2-CG 3.5Å; W56-E94 VanDerWaalsContact CH2-CG 3.5Å; W56-E94 VanDerWaalsContact CH2-OE1 3.29Å; W56-E94 WeakPolarHBondContact CH2-OE1 3.33Å; W56-E94 WeakPolarHBondContact CH2-OE2 3.32Å; W56-E94 HydrophobicContact CZ2-CG 4.08Å; W56-E94 HydrophobicContact CZ3-CG 4.38Å; W56-E94 WeakPolarHBondContact CZ3-OE1 3.35Å; A86-E94 CarbonylContact O-C 3.6Å; N92-E94 PolarHBondContact O-N 2.86Å
95S93.4Very high89.2Confident8 Ų863.6 Ų63.66%0.05633%0.328CS..PPolyproline II helixtrans-89163.5162.480.70000111.5P10 A86P10-S95 WeakPolarHBondContact CD-OG 3.36Å; A86-S95 PolarHBondContact N-OG 3.07Å; A86-S95 PolarHBondContact O-N 2.94Å
96H92.9Very high88.1Confident143 Ų14368 Ų6866%0.66235%0.352SS*.PPolyproline II helixtrans-54.8145.3159-64.6-65.3000110.9A9A9-H96 HydrophobicContact CB-CB 4.4Å; A9-H96 VanDerWaalsContact CB-O 3.24Å; A9-H96 WeakPolarHBondContact CB-O 3.44Å
97T95.2Very high86.3Confident43 Ų4370.1 Ų70.126%0.26437%0.373SS..PPolyproline II helixtrans-77.4119.9173.7-60.90000110.3P53 K83 A84 M85P53-T97 HydrophobicContact CG-CG2 4.13Å; K83-T97 HydrophobicContact CB-CG2 3.86Å; K83-T97 HydrophobicContact CD-CG2 4.21Å; K83-T97 HydrophobicContact CG-CG2 4.3Å; A84-T97 CarbonylContact O-C 3.48Å; A84-T97 WeakPolarHBondContact O-CA 3.45Å; M85-T97 WeakPolarHBondContact CE-OG1 3.31Å
98V94.7Very high83.9Confident51 Ų5172.5 Ų72.531%0.30940%0.398SS..EExtended strand (participates in β ladder)trans-85.6139.4170.3164.20000109.7A9 P10 I12 K83 A84A9-V98 HydrophobicContact CB-CG2 3.67Å; P10-V98 WeakPolarHBondContact O-CB 3.18Å; P10-V98 WeakPolarHBondContact O-CG1 3.14Å; P10-V98 WeakPolarHBondContact O-CG2 3.44Å; I12-V98 HydrophobicContact CD1-CG1 4.07Å; I12-V98 HydrophobicContact CG1-CG1 4.33Å; K83-V98 CarbonylContact C-O 3.47Å; K83-V98 VanDerWaalsContact CA-O 3.27Å; K83-V98 WeakPolarHBondContact CA-O 3.14Å; A84-V98 PolarHBondContact N-O 3.37Å; A84-V98 PolarHBondContact O-N 2.89Å
99T95.5Very high81.4Confident67 Ų6777.3 Ų77.341%0.41143%0.426SS..EExtended strand (participates in β ladder)trans-120.6126.7179.1-55.70000109.7V81 V82 K83V81-T99 HydrophobicContact CG1-CG2 3.65Å; V82-T99 CarbonylContact O-C 3.55Å; V82-T99 WeakPolarHBondContact O-CA 3.42Å; K83-T99 WeakPolarHBondContact CE-OG1 3.41Å; K83-T99 HydrophobicContact CG-CG2 3.85Å; K83-T99 WeakPolarHBondContact CG-OG1 2.95Å
100R91.6Very high79.3Confident100 Ų10083.2 Ų83.238%0.37745%0.445SS..EExtended strand (participates in β ladder)trans-124.4129.4171.2-164.5164.6177.5156.53.8109.9I12 V82 F102I12-R100 HydrophobicContact CB-CB 4.01Å; I12-R100 HydrophobicContact CD1-CB 3.92Å; I12-R100 HydrophobicContact CG2-CB 4.06Å; I12-R100 WeakPolarHBondContact O-CD 3.24Å; I12-R100 PolarHBondContact O-NH1 3.11Å; V82-R100 PolarHBondContact N-O 3.28Å; V82-R100 PolarHBondContact O-N 3.41Å; R100-F102 HydrophobicContact CB-CE2 3.89Å; R100-F102 HydrophobicContact CB-CZ 4.13Å; R100-F102 VanDerWaalsContact CD-CZ 3.45Å; R100-F102 HydrophobicContact CG-CD2 4.46Å; R100-F102 HydrophobicContact CG-CE1 4.11Å; R100-F102 HydrophobicContact CG-CE2 3.74Å; R100-F102 HydrophobicContact CG-CZ 3.56Å
101K91.4Very high77.4Confident157 Ų15781.9 Ų81.968%0.68343%0.434SS*.EExtended strand (participates in β ladder)trans-101.4139178.1-59-174.9-179.1175.60108.9R80 V81R80-K101 WeakPolarHBondContact O-CA 3.27Å; V81-K101 HydrophobicContact CG1-CG 4.28Å; V81-K101 HydrophobicContact CG2-CG 4.15Å
102F86.4Confident75Confident9 Ų983.5 Ų83.54%0.03943%0.434CS..EExtended strand (participates in β ladder)trans-129.1141.2179.2-60.6-85.3000109.5I12 P14 G25 I27 I33 L75 K79 R80 V82 R100 V104I12-F102 HydrophobicContact CG2-CE2 4.09Å; I12-F102 HydrophobicContact CG2-CZ 4.04Å; P14-F102 HydrophobicContact CB-CE1 4.14Å; P14-F102 HydrophobicContact CG-CE1 4.1Å; G25-F102 WeakPolarHBondContact O-CA 3.46Å; I27-F102 HydrophobicContact CD1-CB 4.11Å; I27-F102 HydrophobicContact CD1-CD1 3.8Å; I27-F102 HydrophobicContact CD1-CE1 4.41Å; I27-F102 HydrophobicContact CD1-CG 4.07Å; I27-F102 HydrophobicContact CG1-CB 4.26Å; I27-F102 HydrophobicContact CG1-CD1 4.26Å; I27-F102 HydrophobicContact CG2-CD1 3.91Å; I27-F102 HydrophobicContact CG2-CE1 4.34Å; I33-F102 HydrophobicContact CD1-CD1 4.3Å; I33-F102 HydrophobicContact CD1-CE1 3.64Å; I33-F102 HydrophobicContact CD1-CE2 4.04Å; I33-F102 HydrophobicContact CD1-CZ 3.47Å; I33-F102 VanDerWaalsContact CD1-CZ 3.47Å; I33-F102 HydrophobicContact CG1-CE2 4.43Å; I33-F102 HydrophobicContact CG1-CZ 4.28Å; I33-F102 HydrophobicContact CG2-CZ 4.48Å; L75-F102 HydrophobicContact CD1-CB 3.89Å; L75-F102 HydrophobicContact CD1-CD2 3.45Å; L75-F102 VanDerWaalsContact CD1-CD2 3.45Å; L75-F102 HydrophobicContact CD1-CE2 4.07Å; L75-F102 HydrophobicContact CD1-CG 3.77Å; K79-F102 WeakPolarHBondContact CA-O 3.35Å; R80-F102 PolarHBondContact N-O 3.42Å; R80-F102 PolarHBondContact O-N 3.17Å; V82-F102 HydrophobicContact CB-CE2 4.22Å; V82-F102 HydrophobicContact CG2-CD2 4.05Å; V82-F102 HydrophobicContact CG2-CE2 3.79Å; R100-F102 HydrophobicContact CB-CE2 3.89Å; R100-F102 HydrophobicContact CB-CZ 4.13Å; R100-F102 VanDerWaalsContact CD-CZ 3.45Å; R100-F102 HydrophobicContact CG-CD2 4.46Å; R100-F102 HydrophobicContact CG-CE1 4.11Å; R100-F102 HydrophobicContact CG-CE2 3.74Å; R100-F102 HydrophobicContact CG-CZ 3.56Å; F102-V104 HydrophobicContact CB-CG2 4.22Å
103K86.9Confident72.6Confident121 Ų12187.4 Ų87.453%0.52644%0.441SS..EExtended strand (participates in β ladder)trans-102.4101.1162.2-178-172.2174.3-1650106.6G25 C26 I27G25-K103 PolarHBondContact O-N 3.37Å; C26-K103 VanDerWaalsContact CA-O 3.27Å; C26-K103 WeakPolarHBondContact CA-O 3.19Å; I27-K103 PolarHBondContact N-O 2.88Å
104V84Confident70Confident6 Ų691.4 Ų91.44%0.03646%0.46CS..EExtended strand (participates in β ladder)trans-84.7132.7-179.1-168.10000109I27 T29 L75 R76 G78 R80 F102I27-V104 HydrophobicContact CD1-CG2 4.11Å; I27-V104 HydrophobicContact CG1-CB 4.35Å; I27-V104 HydrophobicContact CG1-CG1 4.32Å; I27-V104 HydrophobicContact CG1-CG2 3.94Å; I27-V104 CarbonylContact O-C 3.46Å; I27-V104 VanDerWaalsContact O-CA 3.25Å; I27-V104 WeakPolarHBondContact O-CA 3.42Å; T29-V104 HydrophobicContact CG2-CG1 4.01Å; L75-V104 HydrophobicContact CB-CG2 3.65Å; L75-V104 HydrophobicContact CD1-CG2 4.17Å; L75-V104 WeakPolarHBondContact O-CG1 3.43Å; R76-V104 WeakPolarHBondContact O-CB 3.48Å; R76-V104 WeakPolarHBondContact O-CG2 3.46Å; G78-V104 PolarHBondContact N-O 2.81Å; G78-V104 PolarHBondContact O-N 3.43Å; R80-V104 HydrophobicContact CB-CG2 4.19Å; R80-V104 HydrophobicContact CG-CG2 3.91Å; F102-V104 HydrophobicContact CB-CG2 4.22Å
105I81.2Confident67.3Low86 Ų8693.8 Ų93.844%0.44147%0.471SS..EExtended strand (participates in β ladder)trans-108.7146.9-179.5-54176.4000108.8C26 I27 D28 T29C26-I105 HydrophobicContact CB-CD1 4.31Å; I27-I105 PolarHBondContact O-N 3.28Å; D28-I105 CarbonylContact C-O 3.5Å; D28-I105 WeakPolarHBondContact CA-O 3.34Å; T29-I105 PolarHBondContact N-O 3.2Å
106D74.1Confident64.4Low104 Ų104100.3 Ų100.356%0.55651%0.506SS*.  trans-89.5155.3-172.2-147.24.2000113.3P77P77-D106 HydrophobicContact CB-CB 4.27Å; P77-D106 HydrophobicContact CG-CB 4.07Å; P77-D106 VanDerWaalsContact CG-OD1 3.26Å; P77-D106 WeakPolarHBondContact CG-OD1 3.45Å
107G57.3Low61.5Low43 Ų4397 Ų9744%0.44351%0.51SS..  trans-80.4-55.9-158.200000119
108G41.6Very low58.7Low54 Ų54101.6 Ų101.656%0.55753%0.533SS*.  trans168.6163.9178.900000118.7
109N35Very low55.8Low143 Ų143107.4 Ų107.477%0.76555%0.554SS**  trans177.1146.7152.7-132.6-44.4000114.6
110K37.2Very low52.8Low173 Ų173109.3 Ų109.375%0.75257%0.57SS**  trans-162.4139.1160.1-71.7-158.7178.2178.20114.6I294K110-I294 HydrophobicContact CB-CD1 4.44Å
111D35.7Very low49.9Very low80 Ų80111.5 Ų111.543%0.42860%0.595SS.*  trans-79.6-178-168.9-69.6-51000119.7N239D111-N239 WeakPolarHBondContact OD2-CB 3.39Å; D111-N239 PolarHBondContact OD2-ND2 2.76Å
112K34.7Very low47Very low120 Ų120107.1 Ų107.152%0.52259%0.594SS.*  cis149.9145.1-33.6-81.2173.2-149.6127.30112.5M298K112-M298 VanDerWaalsContact C-SD 3.6Å
113R34.3Very low44.5Very low178 Ų178114.5 Ų114.567%0.67263%0.631SS**  trans145.9133.9149.9-84.9177.2-164-163.710.4120.6N239 M298R113-N239 PolarHBondContact NH2-OD1 2.88Å; R113-M298 VanDerWaalsContact C-CE 3.49Å; R113-M298 PolarHBondContact N-SD 2.87Å; R113-M298 WeakPolarHBondContact O-CE 3.45Å
114L34.2Very low41.8Very low136 Ų136116.9 Ų116.971%0.71264%0.644SS**  trans79.2150.3152.8-57.6156000119.5
115H35.5Very low39.5Very low147 Ų147120.7 Ų120.768%0.68167%0.67SS**  cis-162.1140.93.2-133.5-15.2000115.2
116N33Very low37.1Very low146 Ų146122.9 Ų122.978%0.78168%0.683SS**  trans40.6139.2144.6-63.412.9000127.3
117G32.8Very low35.2Very low73 Ų73125.5 Ų125.575%0.75369%0.692SS**  trans151.9100.9131.800000121.3
118D36.4Very low34Very low140 Ų140130.9 Ų130.975%0.74971%0.706SS**  trans32.5156.6142.9-81.5-24.8000123.9
119K32.3Very low33.6Very low173 Ų173134.8 Ų134.875%0.75271%0.714SS**  cis-177.3173.6-24.4-124.7-167.5-157.597.10110.3
120S33.9Very low33.5Very low107 Ų107132.6 Ų132.675%0.74871%0.709SS**  trans74.2154.116273.70000119.3
121T30.1Very low33.2Very low146 Ų146129.5 Ų129.590%0.89671%0.71SS**  cis165.2139.9-47.737.30000109.2
122G31Very low33.1Very low65 Ų65130.7 Ų130.767%0.6772%0.724SS**  trans159.3105.8169.300000111.7
123M33Very low32.8Very low164 Ų164132.3 Ų132.381%0.80874%0.739SS**  79.2106.196.9-81.3174156.800112.7
124E31.7Very low32.7Very low171 Ų171128.4 Ų128.480%0.79975%0.745SS**  8113887.6-85.1173.4178.800111.7
125S33.9Very low32.7Very low85 Ų85127.1 Ų127.159%0.59474%0.738SS**  cis-167179.211.152.50000112.6
126D31.6Very low32.7Very low133 Ų133126.8 Ų126.871%0.71174%0.737SS**  trans69.9147.5149.7-51-29.2000120.5
127E33.3Very low32.9Very low159 Ų159126.9 Ų126.974%0.74373%0.734SS**  cis-161.9138.3-2.8-120.6171.2-170.200112.1
128E33.5Very low33.2Very low156 Ų156126.5 Ų126.573%0.72971%0.714SS**  trans61.5149136-78.9-166.4-172.500129.2
129N32Very low33.4Very low136 Ų136125.9 Ų125.973%0.72771%0.711SS**  trans79.2140.7152-74.5-49.8000121.2
130S32.8Very low33.8Very low96 Ų96124 Ų12467%0.67171%0.709SS**  cis-169.3148.8-14.3-166.60000112.9
131S31.9Very low34.2Very low109 Ų109123.6 Ų123.676%0.76269%0.692SS**  trans65.1118.315873.60000121
132S33.8Very low34.4Very low105 Ų105121.1 Ų121.173%0.73467%0.674SS**  -169.3115.7102.567.80000111.8
133D28.6Very low34.7Very low153 Ų153124 Ų12482%0.81867%0.674SS**  trans-59.9144178.6-62.8-74.1000113.7
134A31.3Very low34.8Very low97 Ų97124.3 Ų124.380%0.80268%0.678SS**SBendtrans134.2-3.1158.700000115.2
135L35.1Very low35.1Very low108 Ų108122.6 Ų122.657%0.56568%0.675SS**  trans-131.110.2-172.4-125.789.4000117.4M137L135-M137 VanDerWaalsContact C-N 3.31Å; L135-M137 PolarHBondContact O-N 2.86Å
136E35Very low35.2Very low141 Ų141127 Ų12766%0.65969%0.692SS**G310 helixtrans-80.50.8-173-62.5-173.716200115.4L138E136-L138 VanDerWaalsContact C-N 3.31Å; E136-L138 PolarHBondContact O-N 3.14Å
137M36.6Very low35.2Very low147 Ų147127.8 Ų127.872%0.72470%0.696SS**G310 helixtrans-79.3-2.5-179.4-73.6-164.2173.600115.2L135 Y141L135-M137 VanDerWaalsContact C-N 3.31Å; L135-M137 PolarHBondContact O-N 2.86Å; M137-Y141 WeakPolarHBondContact O-CD2 3.3Å; M137-Y141 WeakPolarHBondContact O-CE2 3.48Å
138L39.7Very low35.4Very low65 Ų65127.6 Ų127.634%0.3470%0.7SS.*G310 helixtrans-92.9-19.4-179.5-72.3175.3000114.4E136 Q627E136-L138 VanDerWaalsContact C-N 3.31Å; E136-L138 PolarHBondContact O-N 3.14Å; L138-Q627 HydrophobicContact CD1-CB 4.49Å; L138-Q627 HydrophobicContact CD1-CG 4.35Å
139D41.1Very low35.3Very low128 Ų128126.1 Ų126.168%0.68470%0.702SS**THydrogen-bonded Turntrans-105.4-8.9-173.7-65.3-36.4000114
140N40.4Very low35.3Very low132 Ų132123.3 Ų123.371%0.70671%0.705SS**  trans-102.830.7-178.3-73.9-15.8000114.7
141Y41.9Very low35.1Very low99 Ų99122.3 Ų122.339%0.38871%0.709SS.*  trans-112.839.9-179.6-82.2-61.5000114.5M137M137-Y141 WeakPolarHBondContact O-CD2 3.3Å; M137-Y141 WeakPolarHBondContact O-CE2 3.48Å
142D35.3Very low35Very low95 Ų95124.4 Ų124.451%0.50871%0.712SS.*  trans-145.764.7169-74.4-64.1000110.4R582D142-R582 IonicContact OD2-CZ 2.97Å; D142-R582 IonicContact OD2-NH2 3.58Å; D142-R582 PolarHBondContact OD2-NH2 3.02Å
143D37.2Very low34.7Very low126 Ų126124.1 Ų124.167%0.67471%0.706SS**  trans-144.799.9167.7-161.40.8000110.5N145D143-N145 PolarHBondContact O-N 3.1Å; D143-N145 PolarHBondContact OD1-ND2 2.98Å
144D35Very low34.8Very low169 Ų169127.3 Ų127.390%0.90471%0.708SS**  trans-92.882.3174.5-76.3-48.2000109
145N37Very low34.6Very low135 Ų135127.8 Ų127.872%0.72271%0.705SS**  trans-134.670.8176.5-85.9-62.1000111.8D143 D147D143-N145 PolarHBondContact O-N 3.1Å; D143-N145 PolarHBondContact OD1-ND2 2.98Å; N145-D147 PolarHBondContact O-N 2.88Å
146D35.7Very low34.3Very low178 Ų178128.4 Ų128.495%0.95272%0.716SS**  trans-82.989.7167-89.1-29.4000110.5
147D32.6Very low33.7Very low149 Ų149126 Ų12680%0.79772%0.721SS**  trans-147.389.3161.7-154.316.6000109.9N145N145-D147 PolarHBondContact O-N 2.88Å
148D36.3Very low33.3Very low156 Ų156126.6 Ų126.683%0.83473%0.725SS**  trans-125.3120.7165.1-166.211.1000111.7
149T32.5Very low32.5Very low125 Ų125130.5 Ų130.577%0.76774%0.744SS**  trans-101.5110.8-175.1520000111.6
150G31.3Very low31.9Very low77 Ų77136 Ų13679%0.79476%0.756SS**  trans126.2139.2158.800000114.2
151G28Very low31.2Very low74 Ų74138.7 Ų138.776%0.76376%0.761SS**  cis154.3112.2-4.600000111.4
152N30.5Very low30.7Very low154 Ų154142.4 Ų142.482%0.82478%0.782SS**  trans-157.8102.9149.9-131.4-18.2000113.5
153V28.1Very low30.5Very low99 Ų99143.9 Ų143.960%0.679%0.79SS**  trans23116134.2-171.70000117.8
154Y30.7Very low30.1Very low220 Ų220144 Ų14486%0.86379%0.791SS**  -166.390.6108.9-103.1-68.7000113.4
155S26.8Very low29.8Very low106 Ų106144.3 Ų144.374%0.74179%0.786SS**  trans50.1154139.9-67.60000124.6
156P28.6Very low29.6Very low121 Ų121146.8 Ų146.879%0.78679%0.787SS**  trans-131.6-158.4-147.942.5-23.2000115.2
157A23.5Very low29.3Very low92 Ų92144.6 Ų144.676%0.7678%0.78SS**  trans85.5143.5179.600000114.1
158I28.1Very low29.5Very low159 Ų159143.8 Ų143.882%0.81578%0.776SS**  cis-135.7139.238.2-70.7163.9000113.1
159I22.8Very low29.5Very low146 Ų146140.6 Ų140.675%0.74976%0.759SS**  trans-82.6138.5169.1-64.8167.9000110.3K161I159-K161 HydrophobicContact CG2-CG 4.41Å
160R27.3Very low29.7Very low245 Ų245139.8 Ų139.893%0.92575%0.753SS**  trans-129.3118.9147.7-89.9-170.8173.2179.5-1.2110.5
161K25.8Very low29.8Very low187 Ų187141.5 Ų141.581%0.81374%0.743SS**  trans-81.6141.3165-75.4-176.6171.2-174.20109.9I159I159-K161 HydrophobicContact CG2-CG 4.41Å
162Q31.3Very low30.3Very low177 Ų177142.5 Ų142.583%0.82773%0.728SS**  trans-164.7115.1135-104.7160.6-3.100106.5
163N30.6Very low30.7Very low127 Ų127138.1 Ų138.168%0.67971%0.705SS**  69.3132.1103.2-69.556.7000112.9
164D28.8Very low30.9Very low129 Ų129139.6 Ų139.669%0.6970%0.703SS**  cis-161.2170.9-11.6-87.8-41.7000107.7
165E30Very low30.9Very low174 Ų174135.5 Ų135.581%0.81369%0.694SS**  trans73156.2167.7-60.2-179.4149.700119.2
166Y32.3Very low31.4Very low187 Ų187135.9 Ų135.973%0.73368%0.679SS**  trans73.251.3-175.6-63.6-87.2000118.5
167T30.1Very low31.6Very low132 Ų132138.5 Ų138.581%0.8167%0.673SS**  trans-115.578.6161.4550000112
168D35.8Very low32Very low133 Ų133137.7 Ų137.771%0.71166%0.656SS**SBendtrans-153.9-42.8160.2-97.4-35.4000110.2V170 I171 E172D168-V170 PolarHBondContact O-N 2.86Å; D168-V170 VanDerWaalsContact O-N 3.08Å; D168-I171 PolarHBondContact O-N 3.31Å; D168-I171 VanDerWaalsContact O-N 3.14Å; D168-E172 PolarHBondContact O-N 2.82Å; D168-E172 VanDerWaalsContact O-N 3.14Å
169D36.6Very low32Very low88 Ų88133.5 Ų133.547%0.47165%0.645SS.*Hα-helixtrans-57.1-27.7-179.2-77.9-49.6000114.8N173D169-N173 WeakPolarHBondContact O-CB 3.46Å; D169-N173 PolarHBondContact O-N 2.91Å; D169-N173 PolarHBondContact O-ND2 2.87Å
170V37.2Very low32.3Very low108 Ų108131.5 Ų131.566%0.65564%0.636SS**Hα-helixtrans-74.8-36.7-178.8-177.80000111.3D168 F174D168-V170 PolarHBondContact O-N 2.86Å; D168-V170 VanDerWaalsContact O-N 3.08Å; V170-F174 WeakPolarHBondContact O-CB 3.28Å; V170-F174 PolarHBondContact O-N 2.84Å
171I34Very low32.4Very low114 Ų114127.2 Ų127.259%0.58563%0.626SS**Hα-helixtrans-78.6-38.6178.7-62176.3000110D168 N173 F174 M175D168-I171 PolarHBondContact O-N 3.31Å; D168-I171 VanDerWaalsContact O-N 3.14Å; I171-N173 VanDerWaalsContact C-N 3.31Å; I171-N173 PolarHBondContact O-N 2.89Å; I171-F174 PolarHBondContact O-N 3.01Å; I171-M175 HydrophobicContact CG2-CG 4.49Å; I171-M175 WeakPolarHBondContact O-CB 3.49Å; I171-M175 WeakPolarHBondContact O-CG 3.23Å; I171-M175 PolarHBondContact O-N 2.87Å
172E36.8Very low32.4Very low94 Ų94121.1 Ų121.144%0.43962%0.616SS.*Hα-helixtrans-67-33.6172.7-145.1-155.6155.600111.8D168 R176D168-E172 PolarHBondContact O-N 2.82Å; D168-E172 VanDerWaalsContact O-N 3.14Å; E172-R176 VanDerWaalsContact O-CB 3.27Å; E172-R176 WeakPolarHBondContact O-CB 3.38Å; E172-R176 WeakPolarHBondContact O-CG 3.45Å; E172-R176 PolarHBondContact O-N 2.67Å; E172-R176 IonicContact OE1-CZ 2.62Å; E172-R176 IonicContact OE1-NE 3.95Å; E172-R176 PolarHBondContact OE1-NE 2.98Å; E172-R176 IonicContact OE1-NH2 3.16Å; E172-R176 PolarHBondContact OE1-NH2 2.73Å; E172-R176 IonicContact OE2-CZ 3.77Å; E172-R176 IonicContact OE2-NH2 2.64Å
173N39Very low32.2Very low62 Ų62120.8 Ų120.833%0.33261%0.613SS.*Hα-helixtrans-71.1-31.6170.7-84.7-63.7000113.4D169 I171 R177D169-N173 WeakPolarHBondContact O-CB 3.46Å; D169-N173 PolarHBondContact O-N 2.91Å; D169-N173 PolarHBondContact O-ND2 2.87Å; I171-N173 VanDerWaalsContact C-N 3.31Å; I171-N173 PolarHBondContact O-N 2.89Å; N173-R177 WeakPolarHBondContact O-CB 3.4Å; N173-R177 WeakPolarHBondContact O-CD 3.21Å; N173-R177 WeakPolarHBondContact O-CG 3.48Å; N173-R177 PolarHBondContact O-N 3.41Å
174F33.2Very low32.5Very low131 Ų131116 Ų11658%0.57559%0.591SS**Hα-helixtrans-68-49.9174.2-175.1-103.3000110.6V170 I171 R176 R177 N178V170-F174 WeakPolarHBondContact O-CB 3.28Å; V170-F174 PolarHBondContact O-N 2.84Å; I171-F174 PolarHBondContact O-N 3.01Å; F174-R176 VanDerWaalsContact C-N 3.31Å; F174-R176 PolarHBondContact O-N 3.39Å; F174-R177 PolarHBondContact O-N 2.98Å; F174-R177 VanDerWaalsContact O-N 3.15Å; F174-N178 WeakPolarHBondContact CE1-ND2 3.42Å; F174-N178 WeakPolarHBondContact CZ-ND2 3.46Å; F174-N178 PolarHBondContact O-N 2.77Å; F174-N178 VanDerWaalsContact O-N 3.14Å; F174-N178 PolarHBondContact O-ND2 2.84Å
175M31.5Very low32.8Very low134 Ų134111.4 Ų111.466%0.6657%0.57SS**Hα-helixtrans-57.7-39.5173.7-69.9-70.2-155.400112.5I171I171-M175 HydrophobicContact CG2-CG 4.49Å; I171-M175 WeakPolarHBondContact O-CB 3.49Å; I171-M175 WeakPolarHBondContact O-CG 3.23Å; I171-M175 PolarHBondContact O-N 2.87Å
176R35.7Very low33.3Very low114 Ų114105.3 Ų105.343%0.4355%0.545SS..Hα-helixtrans-75.4-24.4176.8-75175.2179.9-1751.3114.6E172 F174E172-R176 VanDerWaalsContact O-CB 3.27Å; E172-R176 WeakPolarHBondContact O-CB 3.38Å; E172-R176 WeakPolarHBondContact O-CG 3.45Å; E172-R176 PolarHBondContact O-N 2.67Å; E172-R176 IonicContact OE1-CZ 2.62Å; E172-R176 IonicContact OE1-NE 3.95Å; E172-R176 PolarHBondContact OE1-NE 2.98Å; E172-R176 IonicContact OE1-NH2 3.16Å; E172-R176 PolarHBondContact OE1-NH2 2.73Å; E172-R176 IonicContact OE2-CZ 3.77Å; E172-R176 IonicContact OE2-NH2 2.64Å; F174-R176 VanDerWaalsContact C-N 3.31Å; F174-R176 PolarHBondContact O-N 3.39Å
177R32.9Very low34Very low175 Ų17596.8 Ų96.866%0.6651%0.512SS*.Hα-helixtrans-81.7-26176.9-75.3170.3-154.9173.98.1112.6N173 F174 A179N173-R177 WeakPolarHBondContact O-CB 3.4Å; N173-R177 WeakPolarHBondContact O-CD 3.21Å; N173-R177 WeakPolarHBondContact O-CG 3.48Å; N173-R177 PolarHBondContact O-N 3.41Å; F174-R177 PolarHBondContact O-N 2.98Å; F174-R177 VanDerWaalsContact O-N 3.15Å; R177-A179 VanDerWaalsContact C-N 3.35Å
178N31.4Very low34.5Very low75 Ų7595 Ų9540%0.40150%0.495SS..G310 helixtrans-88.9-1.2179-61.5-16.6000113.2F174F174-N178 WeakPolarHBondContact CE1-ND2 3.42Å; F174-N178 WeakPolarHBondContact CZ-ND2 3.46Å; F174-N178 PolarHBondContact O-N 2.77Å; F174-N178 VanDerWaalsContact O-N 3.14Å; F174-N178 PolarHBondContact O-ND2 2.84Å
179A28.9Very low34.9Very low71 Ų7189.9 Ų89.959%0.58747%0.469SS*.G310 helixtrans-90.72.3179.500000114.8R177R177-A179 VanDerWaalsContact C-N 3.35Å
180D30Very low35.1Very low104 Ų10486.1 Ų86.156%0.55645%0.451SS*.G310 helixtrans-121.117179.8-81.8-40.4000112.3G182D180-G182 PolarHBondContact O-N 2.99Å
181Q27.6Very low35.6Very low155 Ų15581 Ų8172%0.72442%0.42SS*.SBendtrans-74.8120.6170.2-68.9-170.5-1.900110
182G26.3Very low36.2Very low59 Ų5980 Ų8061%0.60841%0.413SS*.SBendtrans43.5106.3159.200000118.2D180D180-G182 PolarHBondContact O-N 2.99Å
183F28.4Very low36.6Very low171 Ų17175.6 Ų75.675%0.7539%0.392SS*.SBendtrans97.4116.2172.7-65.3-86.5000116.6I671F183-I671 HydrophobicContact CE2-CD1 3.61Å; F183-I671 HydrophobicContact CE2-CG1 4.37Å; F183-I671 HydrophobicContact CZ-CD1 3.82Å; F183-I671 HydrophobicContact CZ-CG1 4.19Å
184A35.1Very low36.7Very low27 Ų2775.1 Ų75.122%0.22339%0.39CS..  trans5492.9178.600000116.6T186 Q192A184-T186 PolarHBondContact O-N 2.85Å; A184-Q192 HydrophobicContact CB-CB 3.9Å; A184-Q192 HydrophobicContact CB-CG 3.59Å
185A35.7Very low36.8Very low31 Ų3171 Ų7126%0.25637%0.374SS..EExtended strand (participates in β ladder)trans-56123.9173.100000111.2I193 L195A185-I193 WeakPolarHBondContact O-CB 3.48Å; A185-I193 PolarHBondContact O-N 2.92Å; A185-L195 HydrophobicContact CB-CD1 3.43Å; A185-L195 VanDerWaalsContact CB-CD1 3.43Å; A185-L195 HydrophobicContact CB-CG 4.05Å
186T41Very low36.9Very low47 Ų4774.4 Ų74.429%0.28838%0.379SS..EExtended strand (participates in β ladder)trans-95.2148.2178.867.80000111.1A184 G190 T191 Q192A184-T186 PolarHBondContact O-N 2.85Å; T186-G190 WeakPolarHBondContact CB-O 3.43Å; T186-G190 VanDerWaalsContact CG2-O 3.27Å; T186-G190 WeakPolarHBondContact CG2-O 3.35Å; T186-T191 WeakPolarHBondContact CA-O 3.37Å; T186-Q192 HydrophobicContact CG2-CG 4.25Å
187N47.6Very low36.7Very low7 Ų771.7 Ų71.74%0.03739%0.387CS..  trans-92.1-179.7170.256.367.2000111.4T48 Y67 S189 G190 T191 I193T48-N187 PolarHBondContact OG1-ND2 3.08Å; T48-N187 PolarHBondContact OG1-OD1 3.38Å; Y67-N187 HydrophobicContact CE2-CB 3.63Å; Y67-N187 VanDerWaalsContact OH-CA 3.23Å; Y67-N187 WeakPolarHBondContact OH-CA 3.42Å; Y67-N187 WeakPolarHBondContact OH-CB 3.47Å; N187-S189 PolarHBondContact O-N 2.95Å; N187-S189 WeakPolarHBondContact OD1-CA 3.4Å; N187-S189 WeakPolarHBondContact OD1-CB 3.5Å; N187-S189 PolarHBondContact OD1-N 3.04Å; N187-S189 PolarHBondContact OD1-OG 2.88Å; N187-G190 VanDerWaalsContact O-CA 3.27Å; N187-G190 WeakPolarHBondContact O-CA 3.49Å; N187-G190 PolarHBondContact O-N 2.67Å; N187-T191 PolarHBondContact N-O 2.82Å; N187-T191 VanDerWaalsContact N-O 3.16Å; N187-T191 VanDerWaalsContact ND2-CB 3.28Å; N187-T191 WeakPolarHBondContact ND2-CB 3.29Å; N187-T191 VanDerWaalsContact ND2-CG2 3.28Å; N187-T191 WeakPolarHBondContact ND2-CG2 3.48Å; N187-T191 PolarHBondContact ND2-O 3.31Å; N187-I193 HydrophobicContact CB-CD1 3.9Å; N187-I193 VanDerWaalsContact ND2-CD1 3.26Å; N187-I193 WeakPolarHBondContact ND2-CD1 3.28Å
188H39.4Very low36.5Very low95 Ų9572.4 Ų72.444%0.4440%0.398SS..THydrogen-bonded Turntrans-68.9-1.7-179.711.9-75.1000114.9N49 E64N49-H188 PolarHBondContact ND2-CD2 3.4Å; N49-H188 PolarHBondContact ND2-NE2 3.09Å; E64-H188 PolarHBondContact O-CE1 3.27Å; E64-H188 VanDerWaalsContact O-CE1 3.23Å
189S44.2Very low36.5Very low26 Ų2673.1 Ų73.118%0.18240%0.399CS..THydrogen-bonded Turntrans-98.56.7164.279.70000112.8R80 N187 T191R80-S189 WeakPolarHBondContact CD-OG 3.24Å; R80-S189 PolarHBondContact NE-O 3.24Å; R80-S189 PolarHBondContact NE-OG 2.83Å; R80-S189 PolarHBondContact NH2-O 3.28Å; N187-S189 PolarHBondContact O-N 2.95Å; N187-S189 WeakPolarHBondContact OD1-CA 3.4Å; N187-S189 WeakPolarHBondContact OD1-CB 3.5Å; N187-S189 PolarHBondContact OD1-N 3.04Å; N187-S189 PolarHBondContact OD1-OG 2.88Å; S189-T191 PolarHBondContact O-N 3.14Å; S189-T191 VanDerWaalsContact O-N 3.09Å; S189-T191 PolarHBondContact OG-OG1 2.81Å
190G41.4Very low36.5Very low8 Ų874 Ų748%0.08240%0.399CS..  trans71.6-12.8-176.900000115.3R76 T186 N187 Q192R76-G190 VanDerWaalsContact CD-C 3.47Å; R76-G190 VanDerWaalsContact CZ-O 3.3Å; R76-G190 PolarHBondContact NE-O 2.94Å; R76-G190 PolarHBondContact NH2-O 2.68Å; T186-G190 WeakPolarHBondContact CB-O 3.43Å; T186-G190 VanDerWaalsContact CG2-O 3.27Å; T186-G190 WeakPolarHBondContact CG2-O 3.35Å; N187-G190 VanDerWaalsContact O-CA 3.27Å; N187-G190 WeakPolarHBondContact O-CA 3.49Å; N187-G190 PolarHBondContact O-N 2.67Å; G190-Q192 PolarHBondContact O-N 3.32Å
191T46.8Very low36.8Very low0 Ų073 Ų730%041%0.414CS..  trans-47121.2173.6-78.90000110.8T48 F73 A74 L75 R76 T186 N187 S189T48-T191 HydrophobicContact CG2-CG2 3.84Å; F73-T191 HydrophobicContact CD2-CG2 3.98Å; F73-T191 HydrophobicContact CE2-CG2 4.22Å; A74-T191 WeakPolarHBondContact O-CG2 3.46Å; L75-T191 WeakPolarHBondContact CA-OG1 3.35Å; L75-T191 HydrophobicContact CD2-CG2 3.48Å; L75-T191 VanDerWaalsContact CD2-CG2 3.48Å; R76-T191 PolarHBondContact N-OG1 2.64Å; T186-T191 WeakPolarHBondContact CA-O 3.37Å; N187-T191 PolarHBondContact N-O 2.82Å; N187-T191 VanDerWaalsContact N-O 3.16Å; N187-T191 VanDerWaalsContact ND2-CB 3.28Å; N187-T191 WeakPolarHBondContact ND2-CB 3.29Å; N187-T191 VanDerWaalsContact ND2-CG2 3.28Å; N187-T191 WeakPolarHBondContact ND2-CG2 3.48Å; N187-T191 PolarHBondContact ND2-O 3.31Å; S189-T191 PolarHBondContact O-N 3.14Å; S189-T191 VanDerWaalsContact O-N 3.09Å; S189-T191 PolarHBondContact OG-OG1 2.81Å
192Q48.3Very low36.9Very low94 Ų9471.4 Ų71.444%0.43941%0.41SS..EExtended strand (participates in β ladder)trans-59.7145.3172.2-80-174.9-17.100110.6A184 T186 G190A184-Q192 HydrophobicContact CB-CB 3.9Å; A184-Q192 HydrophobicContact CB-CG 3.59Å; T186-Q192 HydrophobicContact CG2-CG 4.25Å; G190-Q192 PolarHBondContact O-N 3.32Å
193I44.6Very low36.9Very low2 Ų276.5 Ų76.51%0.0142%0.423CS..EExtended strand (participates in β ladder)trans-134.6117175.1-62.6163.4000108.3F46 Y67 A185 N187 L195F46-I193 HydrophobicContact CE1-CG2 4.41Å; F46-I193 HydrophobicContact CE2-CD1 4.4Å; F46-I193 HydrophobicContact CE2-CG1 4.34Å; F46-I193 HydrophobicContact CZ-CD1 4.26Å; F46-I193 HydrophobicContact CZ-CG1 4.07Å; F46-I193 HydrophobicContact CZ-CG2 3.8Å; Y67-I193 HydrophobicContact CD1-CD1 3.53Å; Y67-I193 HydrophobicContact CD1-CG2 4.44Å; Y67-I193 HydrophobicContact CD2-CD1 3.45Å; Y67-I193 VanDerWaalsContact CD2-CD1 3.45Å; Y67-I193 HydrophobicContact CE1-CD1 3.53Å; Y67-I193 HydrophobicContact CE2-CD1 3.48Å; Y67-I193 VanDerWaalsContact CE2-CD1 3.48Å; Y67-I193 HydrophobicContact CG-CD1 3.47Å; Y67-I193 VanDerWaalsContact CG-CD1 3.47Å; A185-I193 WeakPolarHBondContact O-CB 3.48Å; A185-I193 PolarHBondContact O-N 2.92Å; N187-I193 HydrophobicContact CB-CD1 3.9Å; N187-I193 VanDerWaalsContact ND2-CD1 3.26Å; N187-I193 WeakPolarHBondContact ND2-CD1 3.28Å; I193-L195 PolarHBondContact O-N 3.39Å
194N40Very low36.8Very low51 Ų5179.2 Ų79.227%0.27343%0.428SS..  trans-69.397.6170.7-82.7-30.3000110.1A71 P72 W196A71-N194 HydrophobicContact CB-CB 4.04Å; P72-N194 PolarHBondContact O-ND2 3.25Å; N194-W196 PolarHBondContact O-N 3.3Å
195L36.7Very low36.5Very low46 Ų4684.6 Ų84.624%0.24145%0.453CS..SBendtrans-76.2-1.1173.3-81.5177.4000113.4K70 A185 I193K70-L195 WeakPolarHBondContact CD-O 3.46Å; K70-L195 VanDerWaalsContact CE-O 3.31Å; K70-L195 WeakPolarHBondContact CE-O 3.44Å; K70-L195 PolarHBondContact NZ-O 2.84Å; A185-L195 HydrophobicContact CB-CD1 3.43Å; A185-L195 VanDerWaalsContact CB-CD1 3.43Å; A185-L195 HydrophobicContact CB-CG 4.05Å; I193-L195 PolarHBondContact O-N 3.39Å
196W33.5Very low35.9Very low205 Ų20590.4 Ų90.478%0.77748%0.478SS*.SBendtrans-146.7136.8177-56.8102.4000109.1N194N194-W196 PolarHBondContact O-N 3.3Å
197G30.2Very low35.2Very low57 Ų5799 Ų9959%0.58851%0.505SS*.  trans-83144.1169.100000108.9
198Q29.5Very low34.2Very low190 Ų190105.1 Ų105.189%0.88854%0.543SS*.  -149134.762.7176.8178.91.900110.8
199M30.5Very low33.8Very low89 Ų89105.6 Ų105.644%0.43856%0.555SS.*  trans-86.4136.6167.1-82-166.283.100110.8F32F32-M199 HydrophobicContact CD1-SD 4.35Å; F32-M199 HydrophobicContact CE1-CE 4.4Å; F32-M199 HydrophobicContact CE1-SD 4.23Å; F32-M199 HydrophobicContact CE2-CE 4.17Å; F32-M199 HydrophobicContact CZ-CE 4.05Å; F32-M199 HydrophobicContact CZ-SD 4.47Å
200P30.8Very low33.1Very low90 Ų90111.6 Ų111.658%0.58459%0.585SS**SBendtrans-66.2148.8160.4-15.630.6000111.3A667P200-A667 HydrophobicContact CG-CB 4.1Å
201G35.2Very low32.4Very low83 Ų83117.2 Ų117.286%0.85662%0.623SS**SBendtrans115.4-20.9161.400000118.3
202L29.4Very low31.6Very low122 Ų122120.9 Ų120.964%0.63966%0.66SS**  trans-103.989-179.7-95154.3000112.5L15 W204L15-L202 HydrophobicContact CD1-CD1 4.46Å; L202-W204 PolarHBondContact O-N 2.81Å
203N26.4Very low30.5Very low165 Ų165123.8 Ų123.888%0.88268%0.679SS**  trans-67.8108.2168.2-93.3-9.6000110.7
204W27.8Very low29.6Very low229 Ų229131.6 Ų131.687%0.86772%0.719SS**  trans-124.4117.4159.8-79.783.5000110.4L202L202-W204 PolarHBondContact O-N 2.81Å
205D26.9Very low28.9Very low139 Ų139134.8 Ų134.874%0.74375%0.746SS**  trans-74.1148.2-171-158.3-0.6000111.7R207D205-R207 PolarHBondContact O-N 3.16Å
206I24Very low28.4Very low154 Ų154135.8 Ų135.879%0.7977%0.767SS**  trans-72.3113.1-177.5-64.9170.9000109.2
207R27.1Very low28.2Very low226 Ų226131.9 Ų131.985%0.85377%0.771SS**  trans-148.6127.4161.9-102.6154-145.5-129.35.9112.7D205D205-R207 PolarHBondContact O-N 3.16Å
208T26.2Very low27.8Very low136 Ų136139.2 Ų139.283%0.83478%0.782SS**  trans-76.1166.917731.30000112.4
209P30.9Very low28Very low105 Ų105136.4 Ų136.468%0.68278%0.78SS**  trans-97.9148.9-142.136.2-36.7000115.7
210N28.3Very low27.8Very low153 Ų153140 Ų14082%0.81880%0.798SS**  171.8153.5128.5-95.3-35.1000113.4
211S27.7Very low27.8Very low125 Ų125143.1 Ų143.187%0.87481%0.809SS**  trans68.2142.3154.870.60000120.9
212G29.7Very low27.5Very low77 Ų77145.3 Ų145.379%0.79480%0.801SS**  trans134.690.615500000116.3
213N25Very low27.5Very low155 Ų155145 Ų14583%0.82980%0.801SS**  trans-76178.9173.5-71.5-44000113.6
214I26.2Very low27.7Very low166 Ų166143.2 Ų143.285%0.85179%0.791SS**  trans100.1126.4161-54.1156.7000113.4
215S24.4Very low27.9Very low119 Ų119138.7 Ų138.783%0.83279%0.789SS**  cis133.2131.2-9.8-179.50000111
216G27.2Very low27.9Very low67 Ų67138.4 Ų138.469%0.69179%0.792SS**  trans104146.8168.900000115.7
217S28.8Very low28.5Very low122 Ų122137 Ų13785%0.85379%0.792SS**  cis-161.4153.1-6.3-74.80000111
218Y22.9Very low28.6Very low211 Ų211133.5 Ų133.583%0.82778%0.784SS**  trans-86.9171.6168.5-66.9-96000111.5
219P32.3Very low28.6Very low131 Ų131137.1 Ų137.185%0.85178%0.782SS**  -149179.593.637-17.3000117.1
220M26Very low28.4Very low164 Ų164136.4 Ų136.481%0.80878%0.78SS**  trans-99.1171.5-169.3-59.9-81.8-17200114.3
221L30.5Very low28.5Very low157 Ų157136.2 Ų136.282%0.82278%0.784SS**  trans-169.7120.8137.8-103156.1000114.2
222N29.2Very low28.3Very low129 Ų129139.1 Ų139.169%0.6978%0.784SS**  trans27.1151.9134.9-72.75.7000122.3
223N30.4Very low28.3Very low116 Ų116140.5 Ų140.562%0.6278%0.779SS**  cis-163.6160.612.8-129.4-0.3000114.8
224N30.1Very low28.3Very low127 Ų127138 Ų13868%0.67977%0.774SS**  trans79.7132.7143.3-70.5-9.9000125.6
225T31.9Very low28.4Very low134 Ų134137.7 Ų137.782%0.82277%0.772SS**  trans80.290.9143.639.60000122.8
226V27.5Very low28.7Very low133 Ų133139 Ų13981%0.80677%0.77SS**  trans-68.7154.6138.2-109.60000110.1
227P35.5Very low28.7Very low124 Ų124143.5 Ų143.581%0.80578%0.775SS**  -143.9-171.667.821.45.2000114.9
228F28.9Very low28.8Very low153 Ų153146 Ų14667%0.67177%0.773SS**  cis-174.7109.1-37.3177-91.4000111.3
229W27.9Very low29.3Very low212 Ų212139.8 Ų139.880%0.80375%0.754SS**  trans62.9165.5151.2-64.243.9000119.2
230S25.8Very low29.2Very low90 Ų90143.3 Ų143.363%0.62976%0.756SS**  cis-171.4130.3-34.358.50000109.4
231T29.6Very low29.8Very low148 Ų148138.3 Ų138.391%0.90874%0.735SS**  trans-151.2122.2167.322.30000111.8
232Q25.3Very low30.8Very low187 Ų187132.5 Ų132.587%0.87471%0.708SS**  trans-73.1-178.8155.6-66.2-178-71.400109.6
233P28.6Very low31.6Very low105 Ų105131.6 Ų131.668%0.68271%0.709SS**  cis-136-176.62.429-4.4000116.5
234S25.8Very low32.6Very low104 Ų104133.7 Ų133.773%0.72772%0.715SS**  trans58.299.4144.958.70000120.5
235I28.8Very low33.5Very low159 Ų159132.6 Ų132.682%0.81571%0.705SS**  trans-138.9134.2150.3-56.6-177.6000110
236N29.8Very low34Very low146 Ų146131.2 Ų131.278%0.78169%0.693SS**  trans-49.5152.8168.2-58.9-38.5000115.6
237M27.7Very low35.1Very low161 Ų161127.8 Ų127.879%0.79367%0.674SS**  175.3123.6118.9-99.2172.9-92.300113.7
238E29.5Very low36Very low175 Ų175124.6 Ų124.682%0.81866%0.659SS**  trans24.4107.9137.4-58.3179172.600120.9
239N33.4Very low36.8Very low81 Ų81121.9 Ų121.943%0.43365%0.65SS.*  trans17875130.4-98.4-15.8000110.3D111 R113D111-N239 WeakPolarHBondContact OD2-CB 3.39Å; D111-N239 PolarHBondContact OD2-ND2 2.76Å; R113-N239 PolarHBondContact NH2-OD1 2.88Å
240F31.8Very low37.5Very low204 Ų204114 Ų11490%0.89563%0.631SS**PPolyproline II helixtrans-93.7127.5169.3-103.4-94.1000110.4S242F240-S242 PolarHBondContact O-N 3.49Å
241V37.9Very low38.7Very low59 Ų59114.7 Ų114.736%0.35863%0.627SS.*PPolyproline II helixtrans-68.3121.9162.6-175.50000106.7Q245 L246V241-Q245 HydrophobicContact CG1-CB 3.52Å; V241-L246 HydrophobicContact CG1-CG 3.91Å
242S51Low39.7Very low36 Ų36113.2 Ų113.225%0.25261%0.61SS.*PPolyproline II helixtrans-69.1153.7-179.6760000110.6F240 Q244 Q245 L246F240-S242 PolarHBondContact O-N 3.49Å; S242-Q244 PolarHBondContact O-N 2.84Å; S242-Q244 VanDerWaalsContact O-N 3.1Å; S242-Q245 WeakPolarHBondContact O-CA 3.32Å; S242-Q245 WeakPolarHBondContact O-CB 3.43Å; S242-Q245 PolarHBondContact O-N 3.32Å; S242-Q245 PolarHBondContact OG-N 3.45Å; S242-Q245 VanDerWaalsContact OG-N 3.14Å; S242-L246 PolarHBondContact O-N 2.84Å
243P46.2Very low40.5Very low110 Ų110109.3 Ų109.371%0.71459%0.594SS**Hα-helixtrans-54.8-29.5172.5-27.936.1000113.1S247P243-S247 WeakPolarHBondContact O-CB 3.33Å; P243-S247 PolarHBondContact O-N 2.84Å
244Q52.1Low41.4Very low160 Ų160107.8 Ų107.875%0.74858%0.583SS**Hα-helixtrans-68.8-36.5173.1-65.9167.3-35.500112.5S242 A248S242-Q244 PolarHBondContact O-N 2.84Å; S242-Q244 VanDerWaalsContact O-N 3.1Å; Q244-A248 WeakPolarHBondContact O-CB 3.47Å; Q244-A248 PolarHBondContact O-N 3.29Å
245Q48.9Very low42.7Very low103 Ų103108.1 Ų108.148%0.48157%0.573SS.*Hα-helixtrans-71.6-38.4173.9-74.4174.7-36.500111.9V241 S242 A248 I249V241-Q245 HydrophobicContact CG1-CB 3.52Å; S242-Q245 WeakPolarHBondContact O-CA 3.32Å; S242-Q245 WeakPolarHBondContact O-CB 3.43Å; S242-Q245 PolarHBondContact O-N 3.32Å; S242-Q245 PolarHBondContact OG-N 3.45Å; S242-Q245 VanDerWaalsContact OG-N 3.14Å; Q245-A248 PolarHBondContact O-N 2.93Å; Q245-I249 VanDerWaalsContact O-CG1 3.28Å; Q245-I249 WeakPolarHBondContact O-CG1 3.16Å; Q245-I249 PolarHBondContact O-N 3.16Å
246L42.1Very low43.5Very low106 Ų106102.8 Ų102.856%0.55555%0.55SS*.Hα-helixtrans-62.8-43.7171.1-82.3165000111.4V241 S242 A248 I249 A250V241-L246 HydrophobicContact CG1-CG 3.91Å; S242-L246 PolarHBondContact O-N 2.84Å; L246-A248 PolarHBondContact O-N 3.39Å; L246-I249 PolarHBondContact O-N 3.45Å; L246-A250 WeakPolarHBondContact O-CB 3.44Å; L246-A250 PolarHBondContact O-N 3.33Å
247S50Low44.4Very low60 Ų60100.1 Ų100.142%0.4253%0.534SS..Hα-helixtrans-62.5-38.9173.2174.30000112.4P243 A250 N251P243-S247 WeakPolarHBondContact O-CB 3.33Å; P243-S247 PolarHBondContact O-N 2.84Å; S247-A250 PolarHBondContact O-N 3.18Å; S247-N251 VanDerWaalsContact O-CB 3.31Å; S247-N251 WeakPolarHBondContact O-CB 3.42Å; S247-N251 PolarHBondContact O-N 2.89Å; S247-N251 PolarHBondContact O-OD1 2.86Å
248A55.1Low45.4Very low58 Ų5894.9 Ų94.948%0.47951%0.509SS..Hα-helixtrans-67.1-39175.300000112.7Q244 Q245 L246 H252Q244-A248 WeakPolarHBondContact O-CB 3.47Å; Q244-A248 PolarHBondContact O-N 3.29Å; Q245-A248 PolarHBondContact O-N 2.93Å; L246-A248 PolarHBondContact O-N 3.39Å; A248-H252 VanDerWaalsContact O-CB 3.32Å; A248-H252 WeakPolarHBondContact O-CB 3.44Å; A248-H252 PolarHBondContact O-N 3.31Å
249I44.9Very low46.5Very low95 Ų9592.1 Ų92.149%0.48750%0.496SS..Hα-helixtrans-67-43.9174.5-69.3163.9000110.5Q245 L246 H252 L253Q245-I249 VanDerWaalsContact O-CG1 3.28Å; Q245-I249 WeakPolarHBondContact O-CG1 3.16Å; Q245-I249 PolarHBondContact O-N 3.16Å; L246-I249 PolarHBondContact O-N 3.45Å; I249-H252 PolarHBondContact O-N 3.38Å; I249-L253 HydrophobicContact CG2-CD1 3.93Å; I249-L253 HydrophobicContact CG2-CG 4.49Å; I249-L253 WeakPolarHBondContact O-CB 3.28Å; I249-L253 WeakPolarHBondContact O-CG 3.21Å; I249-L253 PolarHBondContact O-N 3.24Å
250A42.6Very low47.5Very low48 Ų4892.2 Ų92.240%0.39750%0.5SS..Hα-helixtrans-59.5-50.7174.700000110.8L246 S247 H252 L253 T254L246-A250 WeakPolarHBondContact O-CB 3.44Å; L246-A250 PolarHBondContact O-N 3.33Å; S247-A250 PolarHBondContact O-N 3.18Å; A250-H252 VanDerWaalsContact C-N 3.29Å; A250-H252 PolarHBondContact O-N 2.9Å; A250-L253 PolarHBondContact O-N 3.44Å; A250-L253 VanDerWaalsContact O-N 3.16Å; A250-T254 WeakPolarHBondContact O-CB 3.42Å; A250-T254 PolarHBondContact O-N 2.73Å; A250-T254 PolarHBondContact O-OG1 3.29Å
251N52.7Low47.9Very low103 Ų10390 Ų9055%0.55149%0.486SS*.Hα-helixtrans-59.7-37.7177.1-69.13.3000112.2S247 Q255S247-N251 VanDerWaalsContact O-CB 3.31Å; S247-N251 WeakPolarHBondContact O-CB 3.42Å; S247-N251 PolarHBondContact O-N 2.89Å; S247-N251 PolarHBondContact O-OD1 2.86Å; N251-Q255 WeakPolarHBondContact O-CB 3.32Å; N251-Q255 PolarHBondContact O-N 3.27Å
252H50.8Low48.5Very low118 Ų11894.8 Ų94.855%0.54650%0.504SS..Hα-helixtrans-73.2-35.1177-166.6-51.6000112.4A248 I249 A250 Q255 C256A248-H252 VanDerWaalsContact O-CB 3.32Å; A248-H252 WeakPolarHBondContact O-CB 3.44Å; A248-H252 PolarHBondContact O-N 3.31Å; I249-H252 PolarHBondContact O-N 3.38Å; A250-H252 VanDerWaalsContact C-N 3.29Å; A250-H252 PolarHBondContact O-N 2.9Å; H252-Q255 PolarHBondContact O-N 2.78Å; H252-C256 VanDerWaalsContact CE1-SG 3.5Å; H252-C256 PolarHBondContact ND1-SG 3.37Å; H252-C256 VanDerWaalsContact ND1-SG 3.39Å; H252-C256 WeakPolarHBondContact O-CB 3.27Å; H252-C256 PolarHBondContact O-N 3.48Å; H252-C256 PolarHBondContact O-SG 3.37Å; H252-C256 VanDerWaalsContact O-SG 3.33Å
253L41.5Very low48.7Very low104 Ų10495.6 Ų95.655%0.54551%0.505SS..Hα-helixtrans-68.9-43.9173.2-78.2168.9000111I249 A250 Q255 C256 I257I249-L253 HydrophobicContact CG2-CD1 3.93Å; I249-L253 HydrophobicContact CG2-CG 4.49Å; I249-L253 WeakPolarHBondContact O-CB 3.28Å; I249-L253 WeakPolarHBondContact O-CG 3.21Å; I249-L253 PolarHBondContact O-N 3.24Å; A250-L253 PolarHBondContact O-N 3.44Å; A250-L253 VanDerWaalsContact O-N 3.16Å; L253-Q255 VanDerWaalsContact C-N 3.33Å; L253-Q255 PolarHBondContact O-N 3.46Å; L253-C256 PolarHBondContact O-N 3.04Å; L253-I257 WeakPolarHBondContact O-CB 3.39Å; L253-I257 WeakPolarHBondContact O-CD1 3.42Å; L253-I257 VanDerWaalsContact O-CG1 3.23Å; L253-I257 WeakPolarHBondContact O-CG1 3.28Å; L253-I257 PolarHBondContact O-N 3.09Å
254T47.3Very low49Very low74 Ų7493.9 Ų93.945%0.45449%0.492SS..Hα-helixtrans-55.7-48.3169.7-58.70000110.4A250 C256 I257 D258A250-T254 WeakPolarHBondContact O-CB 3.42Å; A250-T254 PolarHBondContact O-N 2.73Å; A250-T254 PolarHBondContact O-OG1 3.29Å; T254-C256 PolarHBondContact O-N 2.92Å; T254-I257 CarbonylContact O-C 3.53Å; T254-I257 WeakPolarHBondContact O-CB 3.28Å; T254-I257 PolarHBondContact O-N 2.82Å; T254-I257 VanDerWaalsContact O-N 3.12Å; T254-D258 WeakPolarHBondContact CG2-OD2 3.26Å; T254-D258 WeakPolarHBondContact O-CB 3.26Å; T254-D258 VanDerWaalsContact O-CG 3.31Å; T254-D258 PolarHBondContact O-N 2.92Å
255Q52.5Low48.7Very low111 Ų11191 Ų9152%0.51949%0.485SS..Hα-helixtrans-65-33.6178.6-170.3170.254.100113.3N251 H252 L253 Q259N251-Q255 WeakPolarHBondContact O-CB 3.32Å; N251-Q255 PolarHBondContact O-N 3.27Å; H252-Q255 PolarHBondContact O-N 2.78Å; L253-Q255 VanDerWaalsContact C-N 3.33Å; L253-Q255 PolarHBondContact O-N 3.46Å; Q255-Q259 VanDerWaalsContact O-CB 3.28Å; Q255-Q259 WeakPolarHBondContact O-CB 3.4Å; Q255-Q259 WeakPolarHBondContact O-CG 3.49Å; Q255-Q259 PolarHBondContact O-N 3.09Å
256C46.5Very low49.3Very low47 Ų4791 Ų9132%0.31849%0.492SS..Hα-helixtrans-70.5-39.4171.2-74.90000112.1H252 L253 T254 Q259 T260H252-C256 VanDerWaalsContact CE1-SG 3.5Å; H252-C256 PolarHBondContact ND1-SG 3.37Å; H252-C256 VanDerWaalsContact ND1-SG 3.39Å; H252-C256 WeakPolarHBondContact O-CB 3.27Å; H252-C256 PolarHBondContact O-N 3.48Å; H252-C256 PolarHBondContact O-SG 3.37Å; H252-C256 VanDerWaalsContact O-SG 3.33Å; L253-C256 PolarHBondContact O-N 3.04Å; T254-C256 PolarHBondContact O-N 2.92Å; C256-Q259 PolarHBondContact O-N 2.87Å; C256-T260 WeakPolarHBondContact O-CG2 3.44Å; C256-T260 PolarHBondContact O-N 2.83Å; C256-T260 PolarHBondContact O-OG1 2.93Å
257I47.6Very low50.4Low90 Ų9090.6 Ų90.646%0.46249%0.488SS..Hα-helixtrans-62.2-48174.6-71.4163.6000109.5L253 T254 T260 R261L253-I257 WeakPolarHBondContact O-CB 3.39Å; L253-I257 WeakPolarHBondContact O-CD1 3.42Å; L253-I257 VanDerWaalsContact O-CG1 3.23Å; L253-I257 WeakPolarHBondContact O-CG1 3.28Å; L253-I257 PolarHBondContact O-N 3.09Å; T254-I257 CarbonylContact O-C 3.53Å; T254-I257 WeakPolarHBondContact O-CB 3.28Å; T254-I257 PolarHBondContact O-N 2.82Å; T254-I257 VanDerWaalsContact O-N 3.12Å; I257-T260 WeakPolarHBondContact CA-OG1 3.48Å; I257-T260 CarbonylContact O-C 3.57Å; I257-T260 WeakPolarHBondContact O-CA 3.41Å; I257-T260 PolarHBondContact O-N 2.86Å; I257-T260 VanDerWaalsContact O-N 3.11Å; I257-T260 PolarHBondContact O-OG1 2.93Å; I257-R261 HydrophobicContact CG2-CG 4.46Å; I257-R261 WeakPolarHBondContact O-CG 3.46Å; I257-R261 PolarHBondContact O-N 3.09Å
258D49.6Very low50.4Low50 Ų5090.8 Ų90.827%0.26749%0.486SS..Hα-helixtrans-63.1-42.1176-67.1-29.2000112.2T254 T260 R261 H262T254-D258 WeakPolarHBondContact CG2-OD2 3.26Å; T254-D258 WeakPolarHBondContact O-CB 3.26Å; T254-D258 VanDerWaalsContact O-CG 3.31Å; T254-D258 PolarHBondContact O-N 2.92Å; D258-T260 VanDerWaalsContact C-N 3.27Å; D258-T260 PolarHBondContact O-N 2.85Å; D258-R261 WeakPolarHBondContact O-CB 3.09Å; D258-R261 PolarHBondContact O-N 3.27Å; D258-R261 WeakPolarHBondContact OD1-CD 2.89Å; D258-R261 IonicContact OD1-CZ 2.76Å; D258-R261 IonicContact OD1-NE 2.63Å; D258-R261 IonicContact OD1-NH1 3.62Å; D258-R261 PolarHBondContact OD1-NH1 3.44Å; D258-H262 PolarHBondContact O-CD2 2.84Å; D258-H262 PolarHBondContact O-N 2.85Å
259Q53Low50.4Low117 Ų11796.2 Ų96.255%0.54749%0.494SS..Hα-helixtrans-57.5-40.5171-78.5167.93.200111.8Q255 C256 M263Q255-Q259 VanDerWaalsContact O-CB 3.28Å; Q255-Q259 WeakPolarHBondContact O-CB 3.4Å; Q255-Q259 WeakPolarHBondContact O-CG 3.49Å; Q255-Q259 PolarHBondContact O-N 3.09Å; C256-Q259 PolarHBondContact O-N 2.87Å; Q259-M263 WeakPolarHBondContact O-CG 3.44Å
260T52.8Low51.6Low83 Ų8395.5 Ų95.551%0.50949%0.489SS..Hα-helixtrans-76.5-20.8174.556.40000114.6C256 I257 D258 H262 M263C256-T260 WeakPolarHBondContact O-CG2 3.44Å; C256-T260 PolarHBondContact O-N 2.83Å; C256-T260 PolarHBondContact O-OG1 2.93Å; I257-T260 WeakPolarHBondContact CA-OG1 3.48Å; I257-T260 CarbonylContact O-C 3.57Å; I257-T260 WeakPolarHBondContact O-CA 3.41Å; I257-T260 PolarHBondContact O-N 2.86Å; I257-T260 VanDerWaalsContact O-N 3.11Å; I257-T260 PolarHBondContact O-OG1 2.93Å; D258-T260 VanDerWaalsContact C-N 3.27Å; D258-T260 PolarHBondContact O-N 2.85Å; T260-H262 VanDerWaalsContact C-N 3.32Å; T260-M263 HydrophobicContact CG2-SD 4.35Å; T260-M263 PolarHBondContact O-N 3.28Å
261R41.6Very low52.5Low158 Ų15897.8 Ų97.860%0.59649%0.494SS*.Hα-helixtrans-67.5-31.5175.8-80.4170.7166.6-176.8-14.3112.4I257 D258I257-R261 HydrophobicContact CG2-CG 4.46Å; I257-R261 WeakPolarHBondContact O-CG 3.46Å; I257-R261 PolarHBondContact O-N 3.09Å; D258-R261 WeakPolarHBondContact O-CB 3.09Å; D258-R261 PolarHBondContact O-N 3.27Å; D258-R261 WeakPolarHBondContact OD1-CD 2.89Å; D258-R261 IonicContact OD1-CZ 2.76Å; D258-R261 IonicContact OD1-NE 2.63Å; D258-R261 IonicContact OD1-NH1 3.62Å; D258-R261 PolarHBondContact OD1-NH1 3.44Å
262H49.2Very low52.6Low160 Ų16098.5 Ų98.574%0.74150%0.495SS*.SBendtrans-91.7-8.7179.4-55.8-61.1000114D258 T260 T264D258-H262 PolarHBondContact O-CD2 2.84Å; D258-H262 PolarHBondContact O-N 2.85Å; T260-H262 VanDerWaalsContact C-N 3.32Å; H262-T264 PolarHBondContact O-N 3.02Å
263M55.4Low53.4Low53 Ų5397.3 Ų97.326%0.26149%0.488SS..SBendtrans-72.8127.6176.3-70.4-17974.500111.1Q259 T260 E267 V268 L271Q259-M263 WeakPolarHBondContact O-CG 3.44Å; T260-M263 HydrophobicContact CG2-SD 4.35Å; T260-M263 PolarHBondContact O-N 3.28Å; M263-E267 HydrophobicContact CB-CB 4.34Å; M263-E267 HydrophobicContact CE-CB 3.79Å; M263-V268 HydrophobicContact CB-CG2 3.76Å; M263-V268 HydrophobicContact CE-CG2 4.39Å; M263-L271 HydrophobicContact CE-CB 4.15Å; M263-L271 HydrophobicContact CE-CD1 4.34Å; M263-L271 HydrophobicContact CE-CD2 4.23Å; M263-L271 HydrophobicContact CE-CG 4.47Å
264T53.2Low54.5Low73 Ų7397.1 Ų97.145%0.44849%0.485SS..  trans-63155.1170.264.60000111H262 T266 E267 V268H262-T264 PolarHBondContact O-N 3.02Å; T264-T266 PolarHBondContact O-N 3.03Å; T264-E267 VanDerWaalsContact CB-OE2 3.29Å; T264-E267 WeakPolarHBondContact CB-OE2 3.13Å; T264-E267 WeakPolarHBondContact CG2-OE2 2.99Å; T264-E267 PolarHBondContact N-OE2 3.12Å; T264-E267 PolarHBondContact O-N 2.81Å; T264-E267 WeakPolarHBondContact OG1-CG 3.1Å; T264-E267 PolarHBondContact OG1-N 3.47Å; T264-E267 PolarHBondContact OG1-OE2 2.83Å; T264-V268 PolarHBondContact O-N 2.77Å
265V45.2Very low54.7Low101 Ų10196.6 Ų96.661%0.61248%0.481SS*.Hα-helixtrans-54.5-28.9173.4178.30000111.9R269V265-R269 WeakPolarHBondContact O-CB 3Å; V265-R269 VanDerWaalsContact O-CG 3.28Å; V265-R269 WeakPolarHBondContact O-CG 3.24Å; V265-R269 PolarHBondContact O-N 3.17Å
266T60.7Low54.4Low102 Ų10295.7 Ų95.763%0.62648%0.483SS*.Hα-helixtrans-69-46.1175-50.50000111.7T264 R269 E270T264-T266 PolarHBondContact O-N 3.03Å; T266-R269 PolarHBondContact O-N 2.82Å; T266-E270 PolarHBondContact O-N 3.11Å
267E65.3Low54.6Low98 Ų9898.8 Ų98.846%0.45849%0.493SS..Hα-helixtrans-67.6-39.5177-70.1159.412500111.7M263 T264 R269 E270 L271M263-E267 HydrophobicContact CB-CB 4.34Å; M263-E267 HydrophobicContact CE-CB 3.79Å; T264-E267 VanDerWaalsContact CB-OE2 3.29Å; T264-E267 WeakPolarHBondContact CB-OE2 3.13Å; T264-E267 WeakPolarHBondContact CG2-OE2 2.99Å; T264-E267 PolarHBondContact N-OE2 3.12Å; T264-E267 PolarHBondContact O-N 2.81Å; T264-E267 WeakPolarHBondContact OG1-CG 3.1Å; T264-E267 PolarHBondContact OG1-N 3.47Å; T264-E267 PolarHBondContact OG1-OE2 2.83Å; E267-R269 VanDerWaalsContact C-N 3.31Å; E267-R269 PolarHBondContact O-N 2.84Å; E267-E270 PolarHBondContact O-N 2.77Å; E267-L271 VanDerWaalsContact O-CB 3.26Å; E267-L271 WeakPolarHBondContact O-CB 3.38Å; E267-L271 PolarHBondContact O-N 3.44Å
268V50.8Low54.4Low64 Ų64102.6 Ų102.639%0.38851%0.506SS..Hα-helixtrans-61.5-40.61731780000110.8M263 T264 M272M263-V268 HydrophobicContact CB-CG2 3.76Å; M263-V268 HydrophobicContact CE-CG2 4.39Å; T264-V268 PolarHBondContact O-N 2.77Å; V268-M272 WeakPolarHBondContact O-CB 3.27Å; V268-M272 WeakPolarHBondContact O-CG 3.27Å; V268-M272 PolarHBondContact O-N 3.32Å
269R55.6Low53.7Low172 Ų172105.3 Ų105.365%0.64952%0.516SS*.Hα-helixtrans-65.9-42.2173.8-80.8177.1-176.6164.33113V265 T266 E267 M272 K273V265-R269 WeakPolarHBondContact O-CB 3Å; V265-R269 VanDerWaalsContact O-CG 3.28Å; V265-R269 WeakPolarHBondContact O-CG 3.24Å; V265-R269 PolarHBondContact O-N 3.17Å; T266-R269 PolarHBondContact O-N 2.82Å; E267-R269 VanDerWaalsContact C-N 3.31Å; E267-R269 PolarHBondContact O-N 2.84Å; R269-M272 PolarHBondContact O-N 2.78Å; R269-K273 VanDerWaalsContact O-CB 3.25Å; R269-K273 WeakPolarHBondContact O-CB 3.45Å; R269-K273 PolarHBondContact O-N 2.66Å
270E68.9Low52.8Low80 Ų80104.6 Ų104.637%0.37452%0.52SS..Hα-helixtrans-72.2-34.1-179.6-161.659.8-150.500111T266 E267 K273 Q274T266-E270 PolarHBondContact O-N 3.11Å; E267-E270 PolarHBondContact O-N 2.77Å; E270-K273 PolarHBondContact O-N 3.18Å; E270-K273 IonicContact OE1-NZ 2.71Å; E270-K273 PolarHBondContact OE1-NZ 2.88Å; E270-K273 IonicContact OE2-NZ 2.64Å; E270-K273 PolarHBondContact OE2-NZ 3.07Å; E270-K273 VanDerWaalsContact OE2-NZ 3.16Å; E270-Q274 WeakPolarHBondContact O-CB 3.37Å; E270-Q274 VanDerWaalsContact O-CG 3.31Å; E270-Q274 WeakPolarHBondContact O-CG 3.43Å; E270-Q274 PolarHBondContact O-N 2.81Å
271L62.7Low51.9Low95 Ų95106.5 Ų106.550%0.49753%0.534SS..Hα-helixtrans-61.4-50.4169.2-160.288.8000110.6M263 E267 K273 Q274 V275M263-L271 HydrophobicContact CE-CB 4.15Å; M263-L271 HydrophobicContact CE-CD1 4.34Å; M263-L271 HydrophobicContact CE-CD2 4.23Å; M263-L271 HydrophobicContact CE-CG 4.47Å; E267-L271 VanDerWaalsContact O-CB 3.26Å; E267-L271 WeakPolarHBondContact O-CB 3.38Å; E267-L271 PolarHBondContact O-N 3.44Å; L271-K273 VanDerWaalsContact C-N 3.26Å; L271-K273 PolarHBondContact O-N 2.96Å; L271-Q274 PolarHBondContact O-N 2.95Å; L271-V275 WeakPolarHBondContact O-CB 3.42Å; L271-V275 VanDerWaalsContact O-CG2 3.23Å; L271-V275 WeakPolarHBondContact O-CG2 3.01Å; L271-V275 PolarHBondContact O-N 2.89Å
272M53.6Low51.6Low119 Ų119108.3 Ų108.359%0.58655%0.546SS*.Hα-helixtrans-59.5-35.8175.2-76.3-72.3-79.400112.3V268 R269 T276V268-M272 WeakPolarHBondContact O-CB 3.27Å; V268-M272 WeakPolarHBondContact O-CG 3.27Å; V268-M272 PolarHBondContact O-N 3.32Å; R269-M272 PolarHBondContact O-N 2.78Å; M272-T276 VanDerWaalsContact O-CB 3.31Å; M272-T276 WeakPolarHBondContact O-CB 3.34Å; M272-T276 PolarHBondContact O-N 2.9Å; M272-T276 PolarHBondContact O-OG1 2.94Å
273K67.4Low50.7Low92 Ų92109.7 Ų109.740%0.455%0.552SS.*Hα-helixtrans-71.1-45.1176.8179.4161.9152-92.90112.1R269 E270 L271 V275 T276 E277R269-K273 VanDerWaalsContact O-CB 3.25Å; R269-K273 WeakPolarHBondContact O-CB 3.45Å; R269-K273 PolarHBondContact O-N 2.66Å; E270-K273 PolarHBondContact O-N 3.18Å; E270-K273 IonicContact OE1-NZ 2.71Å; E270-K273 PolarHBondContact OE1-NZ 2.88Å; E270-K273 IonicContact OE2-NZ 2.64Å; E270-K273 PolarHBondContact OE2-NZ 3.07Å; E270-K273 VanDerWaalsContact OE2-NZ 3.16Å; L271-K273 VanDerWaalsContact C-N 3.26Å; L271-K273 PolarHBondContact O-N 2.96Å; K273-V275 VanDerWaalsContact C-N 3.31Å; K273-V275 PolarHBondContact O-N 3.19Å; K273-T276 PolarHBondContact O-N 2.79Å; K273-E277 WeakPolarHBondContact CE-OE1 3.32Å; K273-E277 HydrophobicContact CG-CG 4.5Å; K273-E277 WeakPolarHBondContact O-CB 3.47Å; K273-E277 WeakPolarHBondContact O-CG 3.37Å; K273-E277 PolarHBondContact O-N 3.03Å
274Q65.9Low49.7Very low100 Ų100114.5 Ų114.547%0.46758%0.58SS.*Hα-helixtrans-62.7-36.6173.2-72.4178.837.800112.7E270 L271 K278E270-Q274 WeakPolarHBondContact O-CB 3.37Å; E270-Q274 VanDerWaalsContact O-CG 3.31Å; E270-Q274 WeakPolarHBondContact O-CG 3.43Å; E270-Q274 PolarHBondContact O-N 2.81Å; L271-Q274 PolarHBondContact O-N 2.95Å; Q274-K278 WeakPolarHBondContact O-CB 3.42Å; Q274-K278 WeakPolarHBondContact O-CG 3.31Å; Q274-K278 PolarHBondContact O-N 3.31Å
275V51.8Low48.7Very low63 Ų63119 Ų11938%0.38260%0.601SS.*Hα-helixtrans-63.4-51.2171.3169.20000109.7L271 K273 E277 K278 F279L271-V275 WeakPolarHBondContact O-CB 3.42Å; L271-V275 VanDerWaalsContact O-CG2 3.23Å; L271-V275 WeakPolarHBondContact O-CG2 3.01Å; L271-V275 PolarHBondContact O-N 2.89Å; K273-V275 VanDerWaalsContact C-N 3.31Å; K273-V275 PolarHBondContact O-N 3.19Å; V275-E277 PolarHBondContact O-N 2.84Å; V275-K278 PolarHBondContact O-N 2.79Å; V275-F279 HydrophobicContact CG1-CD2 3.88Å; V275-F279 HydrophobicContact CG1-CE2 3.82Å; V275-F279 WeakPolarHBondContact O-CD2 3.24Å; V275-F279 PolarHBondContact O-N 3.23Å
276T46.3Very low48.2Very low92 Ų92118.9 Ų118.956%0.56461%0.605SS**Hα-helixtrans-62.8-40.2-179.1-55.20000112.7M272 K273 F279M272-T276 VanDerWaalsContact O-CB 3.31Å; M272-T276 WeakPolarHBondContact O-CB 3.34Å; M272-T276 PolarHBondContact O-N 2.9Å; M272-T276 PolarHBondContact O-OG1 2.94Å; K273-T276 PolarHBondContact O-N 2.79Å; T276-F279 PolarHBondContact O-N 3.13Å; T276-F279 VanDerWaalsContact O-N 3.11Å
277E51Low47Very low112 Ų112120 Ų12052%0.52361%0.612SS.*Hα-helixtrans-66.6-37.8177.4-74.8177.4-169.900111.9K273 V275 F279 T280K273-E277 WeakPolarHBondContact CE-OE1 3.32Å; K273-E277 HydrophobicContact CG-CG 4.5Å; K273-E277 WeakPolarHBondContact O-CB 3.47Å; K273-E277 WeakPolarHBondContact O-CG 3.37Å; K273-E277 PolarHBondContact O-N 3.03Å; V275-E277 PolarHBondContact O-N 2.84Å; E277-F279 PolarHBondContact O-N 3.31Å; E277-T280 PolarHBondContact O-N 2.64Å; E277-T280 PolarHBondContact O-OG1 2.99Å
278K42.5Very low45.8Very low170 Ų170123.3 Ų123.374%0.73963%0.632SS**Hα-helixtrans-65.1-20.9171.3-78.2175.3179.11720113.6Q274 V275Q274-K278 WeakPolarHBondContact O-CB 3.42Å; Q274-K278 WeakPolarHBondContact O-CG 3.31Å; Q274-K278 PolarHBondContact O-N 3.31Å; V275-K278 PolarHBondContact O-N 2.79Å
279F35.6Very low45.7Very low108 Ų108128.6 Ų128.647%0.47465%0.653SS.*THydrogen-bonded Turntrans-92.811.2176.8-78.9-63.5000114.8V275 T276 E277 P281 N302V275-F279 HydrophobicContact CG1-CD2 3.88Å; V275-F279 HydrophobicContact CG1-CE2 3.82Å; V275-F279 WeakPolarHBondContact O-CD2 3.24Å; V275-F279 PolarHBondContact O-N 3.23Å; T276-F279 PolarHBondContact O-N 3.13Å; T276-F279 VanDerWaalsContact O-N 3.11Å; E277-F279 PolarHBondContact O-N 3.31Å; F279-P281 WeakPolarHBondContact O-CD 3.36Å; F279-N302 HydrophobicContact CZ-CB 4.11Å; F279-N302 WeakPolarHBondContact CZ-OD1 3.36Å
280T34.2Very low45.8Very low102 Ų102126.3 Ų126.363%0.62666%0.663SS**SBendtrans-66.2119.6166.8470000110.7E277 K282E277-T280 PolarHBondContact O-N 2.64Å; E277-T280 PolarHBondContact O-OG1 2.99Å; T280-K282 PolarHBondContact O-N 2.84Å; T280-K282 VanDerWaalsContact O-N 3.13Å
281P32.6Very low45.6Very low122 Ų122125.2 Ų125.279%0.79266%0.659SS**  trans-75.3109.9-167.328-34.4000111.9F279 Q283F279-P281 WeakPolarHBondContact O-CD 3.36Å; P281-Q283 PolarHBondContact O-N 2.88Å
282K36Very low46Very low196 Ų196123 Ų12385%0.85265%0.652SS**  trans-68.8123160-71.5-178.3178.7175.90108.8T280 N284T280-K282 PolarHBondContact O-N 2.84Å; T280-K282 VanDerWaalsContact O-N 3.13Å; K282-N284 PolarHBondContact O-N 3.16Å
283Q30.7Very low46.8Very low189 Ų189121 Ų12188%0.88366%0.662SS**  trans-61.5125.3170.2-72-179.3-38.400109.8P281P281-Q283 PolarHBondContact O-N 2.88Å
284N34.5Very low46.8Very low155 Ų155121.4 Ų121.483%0.82967%0.667SS**  trans-142.5108.4163.1-99-14.8000108.3K282K282-N284 PolarHBondContact O-N 3.16Å
285D31.4Very low47.2Very low167 Ų167118.3 Ų118.389%0.89366%0.657SS**  trans-70.2121.5165.6-76.2-53.5000109.5
286S34.7Very low48.2Very low99 Ų99122.9 Ų122.969%0.69267%0.674SS**  trans-167.5136.8146.25.40000114.9
287T36.7Very low49.1Very low126 Ų126118.7 Ų118.777%0.77365%0.649SS**  trans63.2111.1148.4520000120.3Q289T287-Q289 PolarHBondContact O-N 2.91Å; T287-Q289 VanDerWaalsContact O-N 3.14Å
288N38.3Very low49.9Very low167 Ų167118.6 Ų118.689%0.89365%0.649SS**  trans-46.2113.2156.2-69.1-26.6000111.5
289Q49.4Very low50.7Low174 Ų174113.5 Ų113.581%0.81365%0.645SS**  trans-124.9131.7164.7-146169.815.600107.3T287 L291T287-Q289 PolarHBondContact O-N 2.91Å; T287-Q289 VanDerWaalsContact O-N 3.14Å; Q289-L291 PolarHBondContact O-N 2.87Å; Q289-L291 VanDerWaalsContact O-N 3.09Å
290S57.2Low52.5Low125 Ų125111.2 Ų111.287%0.87464%0.638SS**  trans-62.9114.8-177.7-171.80000109.4S292S290-S292 PolarHBondContact O-N 3.19Å
291L64.2Low54.2Low56 Ų56111.6 Ų111.629%0.29364%0.635SS.*  trans-59.7124.2175.9-81.7150.3000109.9Q289 E314Q289-L291 PolarHBondContact O-N 2.87Å; Q289-L291 VanDerWaalsContact O-N 3.09Å; L291-E314 HydrophobicContact CD1-CB 4.26Å; L291-E314 HydrophobicContact CD1-CG 3.54Å
292S72.4Confident56.1Low48 Ų48109 Ų10934%0.33662%0.615SS.*  trans-68.9146.9166.447.80000109.7S290 I294 H307 H311S290-S292 PolarHBondContact O-N 3.19Å; S292-I294 WeakPolarHBondContact CB-O 3.34Å; S292-I294 PolarHBondContact O-N 3.13Å; S292-I294 VanDerWaalsContact O-N 3.17Å; S292-I294 PolarHBondContact OG-O 3.23Å; S292-H307 PolarHBondContact O-CE1 2.86Å; S292-H307 PolarHBondContact O-NE2 2.81Å; S292-H311 PolarHBondContact O-CE1 3.18Å; S292-H311 PolarHBondContact O-NE2 3.13Å
293G69.9Low57.9Low77 Ų77104.4 Ų104.479%0.79460%0.596SS**SBendtrans-71.92.1171.800000114.4
294I68.2Low59.8Low101 Ų10198.6 Ų98.652%0.51857%0.569SS.*SBendtrans-131.2130.4178.8-56.7175.6000106.6K110 S292K110-I294 HydrophobicContact CB-CD1 4.44Å; S292-I294 WeakPolarHBondContact CB-O 3.34Å; S292-I294 PolarHBondContact O-N 3.13Å; S292-I294 VanDerWaalsContact O-N 3.17Å; S292-I294 PolarHBondContact OG-O 3.23Å
295S73.2Confident61.7Low35 Ų3595.5 Ų95.525%0.24555%0.551CS.*  trans-67.8132.9174.1-177.70000110.4G297 H307S295-G297 PolarHBondContact O-N 3.3Å; S295-G297 PolarHBondContact OG-N 2.74Å; S295-H307 VanDerWaalsContact CB-CD2 3.48Å; S295-H307 WeakPolarHBondContact CB-CD2 3.48Å; S295-H307 PolarHBondContact N-NE2 3.21Å; S295-H307 WeakPolarHBondContact OG-CB 3.08Å
296Q73.1Confident63.9Low160 Ų16090.3 Ų90.375%0.74852%0.522SS*.  trans-78.36.5169.5-63.9-168.61.800112.7M298Q296-M298 WeakPolarHBondContact O-CG 3.18Å; Q296-M298 PolarHBondContact O-N 3.03Å
297G66Low65.9Low3 Ų387 Ų873%0.03150%0.495CS..  trans-63.4-3.1-172.600000116.7S295 G299 N300 E303S295-G297 PolarHBondContact O-N 3.3Å; S295-G297 PolarHBondContact OG-N 2.74Å; G297-G299 PolarHBondContact O-N 2.63Å; G297-N300 WeakPolarHBondContact O-CA 3.42Å; G297-N300 VanDerWaalsContact O-CB 3.25Å; G297-N300 WeakPolarHBondContact O-CB 3.37Å; G297-N300 PolarHBondContact O-N 3.04Å; G297-E303 WeakPolarHBondContact CA-OE2 3.45Å
298M67.2Low67.8Low110 Ų11085.1 Ų85.154%0.54248%0.48SS..THydrogen-bonded Turntrans51.829.5165.7-61.6-119.3-74.700116.3K112 R113 Q296K112-M298 VanDerWaalsContact C-SD 3.6Å; R113-M298 VanDerWaalsContact C-CE 3.49Å; R113-M298 PolarHBondContact N-SD 2.87Å; R113-M298 WeakPolarHBondContact O-CE 3.45Å; Q296-M298 WeakPolarHBondContact O-CG 3.18Å; Q296-M298 PolarHBondContact O-N 3.03Å
299G58.9Low69.8Low63 Ų6381.2 Ų81.265%0.64946%0.455SS*.THydrogen-bonded Turntrans95.9-13.6-175.700000114.9G297 I301G297-G299 PolarHBondContact O-N 2.63Å; G299-I301 PolarHBondContact O-N 2.97Å
300N74.7Confident71.3Confident61 Ų6178.6 Ų78.633%0.32644%0.438SS..  trans-69.5108.4169.9-175.2-5.8000110.3G297 N302 E303 Q304G297-N300 WeakPolarHBondContact O-CA 3.42Å; G297-N300 VanDerWaalsContact O-CB 3.25Å; G297-N300 WeakPolarHBondContact O-CB 3.37Å; G297-N300 PolarHBondContact O-N 3.04Å; N300-N302 PolarHBondContact O-N 2.75Å; N300-N302 WeakPolarHBondContact OD1-CB 3.41Å; N300-N302 PolarHBondContact OD1-N 3.46Å; N300-N302 VanDerWaalsContact OD1-N 3.09Å; N300-N302 PolarHBondContact OD1-ND2 3.38Å; N300-E303 HydrophobicContact CB-CB 4.24Å; N300-E303 HydrophobicContact CB-CG 4.28Å; N300-E303 PolarHBondContact ND2-OE1 3.48Å; N300-E303 PolarHBondContact O-N 3.06Å; N300-Q304 WeakPolarHBondContact O-CG 3.27Å; N300-Q304 PolarHBondContact O-N 2.73Å; N300-Q304 VanDerWaalsContact O-N 3.13Å
301I69.6Low72.3Confident109 Ų10976.1 Ų76.156%0.55941%0.413SS*.Hα-helixtrans-60.4-31.8-178.7-164.1165.7000112.8G299 Q304 I305G299-I301 PolarHBondContact O-N 2.97Å; I301-Q304 PolarHBondContact O-N 2.68Å; I301-I305 HydrophobicContact CG1-CD1 4.08Å; I301-I305 VanDerWaalsContact O-CG1 3.29Å; I301-I305 WeakPolarHBondContact O-CG1 3.31Å; I301-I305 PolarHBondContact O-N 2.66Å
302N71.8Confident73Confident68 Ų6877.7 Ų77.736%0.36442%0.421SS..Hα-helixtrans-68.7-38.9179.6-61.6-54.1000111.9F279 N300 I305 E306F279-N302 HydrophobicContact CZ-CB 4.11Å; F279-N302 WeakPolarHBondContact CZ-OD1 3.36Å; N300-N302 PolarHBondContact O-N 2.75Å; N300-N302 WeakPolarHBondContact OD1-CB 3.41Å; N300-N302 PolarHBondContact OD1-N 3.46Å; N300-N302 VanDerWaalsContact OD1-N 3.09Å; N300-N302 PolarHBondContact OD1-ND2 3.38Å; N302-I305 PolarHBondContact O-N 3.21Å; N302-E306 PolarHBondContact O-N 2.81Å
303E73.5Confident73.3Confident99 Ų9978.6 Ų78.646%0.46342%0.421SS..Hα-helixtrans-72-31.3175.3-71.7170.9-139.700111.8G297 N300 H307G297-E303 WeakPolarHBondContact CA-OE2 3.45Å; N300-E303 HydrophobicContact CB-CB 4.24Å; N300-E303 HydrophobicContact CB-CG 4.28Å; N300-E303 PolarHBondContact ND2-OE1 3.48Å; N300-E303 PolarHBondContact O-N 3.06Å; E303-H307 VanDerWaalsContact O-CB 3.3Å; E303-H307 WeakPolarHBondContact O-CB 3.02Å; E303-H307 PolarHBondContact O-N 3.48Å
304Q71.9Confident73.8Confident67 Ų6777.8 Ų77.831%0.31340%0.397SS..Hα-helixtrans-66.6-44.4170.6-66.9-176.961.900111.8N300 I301 H307 I308N300-Q304 WeakPolarHBondContact O-CG 3.27Å; N300-Q304 PolarHBondContact O-N 2.73Å; N300-Q304 VanDerWaalsContact O-N 3.13Å; I301-Q304 PolarHBondContact O-N 2.68Å; Q304-H307 PolarHBondContact O-N 2.79Å; Q304-I308 WeakPolarHBondContact O-CG1 3.34Å; Q304-I308 PolarHBondContact O-N 2.62Å
305I74.1Confident74.2Confident90 Ų9078.6 Ų78.646%0.46239%0.394SS..Hα-helixtrans-62.9-45.1176-70.3166.5000111.3I301 N302 H307 I308 K309I301-I305 HydrophobicContact CG1-CD1 4.08Å; I301-I305 VanDerWaalsContact O-CG1 3.29Å; I301-I305 WeakPolarHBondContact O-CG1 3.31Å; I301-I305 PolarHBondContact O-N 2.66Å; N302-I305 PolarHBondContact O-N 3.21Å; I305-H307 VanDerWaalsContact C-N 3.33Å; I305-H307 PolarHBondContact O-N 2.81Å; I305-I308 PolarHBondContact O-N 2.86Å; I305-K309 WeakPolarHBondContact O-CB 3.28Å; I305-K309 PolarHBondContact O-N 3.33Å
306E76.3Confident74.4Confident58 Ų5879.6 Ų79.627%0.27140%0.396SS..Hα-helixtrans-60.6-41.5173.9-83.3-67.6136.100111.7N302 I308 K309 Y310N302-E306 PolarHBondContact O-N 2.81Å; E306-I308 PolarHBondContact O-N 3.31Å; E306-K309 WeakPolarHBondContact O-CB 3.07Å; E306-K309 PolarHBondContact O-N 2.82Å; E306-K309 WeakPolarHBondContact OE1-CD 3.33Å; E306-K309 IonicContact OE1-NZ 2.75Å; E306-K309 PolarHBondContact OE1-NZ 2.8Å; E306-K309 IonicContact OE2-NZ 3.56Å; E306-K309 PolarHBondContact OE2-NZ 3.23Å; E306-Y310 HydrophobicContact CB-CE2 4.38Å; E306-Y310 WeakPolarHBondContact O-CD2 3.28Å; E306-Y310 PolarHBondContact O-N 3.44Å; E306-Y310 WeakPolarHBondContact OE2-CE2 3.35Å
307H77Confident74.7Confident29 Ų2978.1 Ų78.113%0.13439%0.387CS..Hα-helixtrans-62.1-43.4176.5-171.479.8000112.6S292 S295 E303 Q304 I305 Y310 H311S292-H307 PolarHBondContact O-CE1 2.86Å; S292-H307 PolarHBondContact O-NE2 2.81Å; S295-H307 VanDerWaalsContact CB-CD2 3.48Å; S295-H307 WeakPolarHBondContact CB-CD2 3.48Å; S295-H307 PolarHBondContact N-NE2 3.21Å; S295-H307 WeakPolarHBondContact OG-CB 3.08Å; E303-H307 VanDerWaalsContact O-CB 3.3Å; E303-H307 WeakPolarHBondContact O-CB 3.02Å; E303-H307 PolarHBondContact O-N 3.48Å; Q304-H307 PolarHBondContact O-N 2.79Å; I305-H307 VanDerWaalsContact C-N 3.33Å; I305-H307 PolarHBondContact O-N 2.81Å; H307-Y310 PolarHBondContact O-N 2.9Å; H307-H311 AromaticContact CD2-CD2 3.55Å; H307-H311 AromaticContact CD2-NE2 3.68Å; H307-H311 AromaticContact CE1-CD2 3.99Å; H307-H311 AromaticContact CE1-NE2 3.53Å; H307-H311 AromaticContact NE2-CD2 3.41Å; H307-H311 PolarHBondContact NE2-CD2 3.23Å; H307-H311 AromaticContact NE2-NE2 3.02Å; H307-H311 PolarHBondContact NE2-NE2 2.89Å; H307-H311 PolarHBondContact O-CD2 3.45Å; H307-H311 PolarHBondContact O-N 2.96Å; H307-H311 VanDerWaalsContact O-N 3.08Å
308I77.5Confident75.4Confident87 Ų8785.1 Ų85.145%0.44642%0.419SS..Hα-helixtrans-60.9-44.2173.9-68.2163.9000110.8Q304 I305 E306 Y310 H311 L312Q304-I308 WeakPolarHBondContact O-CG1 3.34Å; Q304-I308 PolarHBondContact O-N 2.62Å; I305-I308 PolarHBondContact O-N 2.86Å; E306-I308 PolarHBondContact O-N 3.31Å; I308-Y310 PolarHBondContact O-N 2.82Å; I308-H311 PolarHBondContact O-N 2.83Å; I308-L312 HydrophobicContact CG2-CD1 4.09Å; I308-L312 WeakPolarHBondContact O-CG 3.22Å; I308-L312 PolarHBondContact O-N 2.8Å
309K79.8Confident76.1Confident85 Ų8582.3 Ų82.337%0.3741%0.406SS..Hα-helixtrans-58.8-42.2175.5165.7-169164.4-148.30112.1I305 E306 L312 I313I305-K309 WeakPolarHBondContact O-CB 3.28Å; I305-K309 PolarHBondContact O-N 3.33Å; E306-K309 WeakPolarHBondContact O-CB 3.07Å; E306-K309 PolarHBondContact O-N 2.82Å; E306-K309 WeakPolarHBondContact OE1-CD 3.33Å; E306-K309 IonicContact OE1-NZ 2.75Å; E306-K309 PolarHBondContact OE1-NZ 2.8Å; E306-K309 IonicContact OE2-NZ 3.56Å; E306-K309 PolarHBondContact OE2-NZ 3.23Å; K309-L312 PolarHBondContact O-N 3.45Å; K309-I313 HydrophobicContact CG-CD1 4.03Å; K309-I313 VanDerWaalsContact O-CG1 3.28Å; K309-I313 WeakPolarHBondContact O-CG1 3.05Å; K309-I313 PolarHBondContact O-N 3.14Å
310Y81.2Confident77Confident120 Ų12088 Ų8847%0.47141%0.413SS..Hα-helixtrans-67.1-39.1176-75.1-66.5000112.8E306 H307 I308 I313 E314E306-Y310 HydrophobicContact CB-CE2 4.38Å; E306-Y310 WeakPolarHBondContact O-CD2 3.28Å; E306-Y310 PolarHBondContact O-N 3.44Å; E306-Y310 WeakPolarHBondContact OE2-CE2 3.35Å; H307-Y310 PolarHBondContact O-N 2.9Å; I308-Y310 PolarHBondContact O-N 2.82Å; Y310-I313 PolarHBondContact O-N 3.15Å; Y310-E314 PolarHBondContact O-N 3.34Å
311H79Confident77.1Confident72 Ų7291.3 Ų91.333%0.33343%0.43SS..Hα-helixtrans-61.9-43.6171.9-83.2-69.2000112.4S292 H307 I308 I313 E314 Y315S292-H311 PolarHBondContact O-CE1 3.18Å; S292-H311 PolarHBondContact O-NE2 3.13Å; H307-H311 AromaticContact CD2-CD2 3.55Å; H307-H311 AromaticContact CD2-NE2 3.68Å; H307-H311 AromaticContact CE1-CD2 3.99Å; H307-H311 AromaticContact CE1-NE2 3.53Å; H307-H311 AromaticContact NE2-CD2 3.41Å; H307-H311 PolarHBondContact NE2-CD2 3.23Å; H307-H311 AromaticContact NE2-NE2 3.02Å; H307-H311 PolarHBondContact NE2-NE2 2.89Å; H307-H311 PolarHBondContact O-CD2 3.45Å; H307-H311 PolarHBondContact O-N 2.96Å; H307-H311 VanDerWaalsContact O-N 3.08Å; I308-H311 PolarHBondContact O-N 2.83Å; H311-I313 VanDerWaalsContact C-N 3.33Å; H311-I313 PolarHBondContact O-N 3.4Å; H311-E314 PolarHBondContact O-N 2.96Å; H311-Y315 WeakPolarHBondContact O-CB 3.35Å; H311-Y315 PolarHBondContact O-N 2.77Å
312L77.7Confident77.3Confident89 Ų8989.1 Ų89.147%0.46642%0.416SS..Hα-helixtrans-59.4-43173.5-76.5167.3000111.7I308 K309 Y315 I316I308-L312 HydrophobicContact CG2-CD1 4.09Å; I308-L312 WeakPolarHBondContact O-CG 3.22Å; I308-L312 PolarHBondContact O-N 2.8Å; K309-L312 PolarHBondContact O-N 3.45Å; L312-Y315 PolarHBondContact O-N 2.97Å; L312-I316 WeakPolarHBondContact O-CB 3.41Å; L312-I316 WeakPolarHBondContact O-CD1 3.47Å; L312-I316 WeakPolarHBondContact O-CG1 3.44Å; L312-I316 PolarHBondContact O-N 3.19Å
313I79.4Confident77.4Confident67 Ų6787.9 Ų87.934%0.34441%0.413SS..Hα-helixtrans-62.3-43.1176.9-72.4165.6000111.5K309 Y310 H311 I316 K317K309-I313 HydrophobicContact CG-CD1 4.03Å; K309-I313 VanDerWaalsContact O-CG1 3.28Å; K309-I313 WeakPolarHBondContact O-CG1 3.05Å; K309-I313 PolarHBondContact O-N 3.14Å; Y310-I313 PolarHBondContact O-N 3.15Å; H311-I313 VanDerWaalsContact C-N 3.33Å; H311-I313 PolarHBondContact O-N 3.4Å; I313-I316 PolarHBondContact O-N 3.01Å; I313-K317 WeakPolarHBondContact O-CG 3.22Å; I313-K317 PolarHBondContact O-N 2.91Å; I313-K317 VanDerWaalsContact O-N 3.15Å
314E80.4Confident77.3Confident60 Ų6084.2 Ų84.228%0.2840%0.402SS..Hα-helixtrans-65.9-42174.1-80.9-53.7123.500112.5L291 Y310 H311 I316 K317 Q318L291-E314 HydrophobicContact CD1-CB 4.26Å; L291-E314 HydrophobicContact CD1-CG 3.54Å; Y310-E314 PolarHBondContact O-N 3.34Å; H311-E314 PolarHBondContact O-N 2.96Å; E314-I316 VanDerWaalsContact C-N 3.3Å; E314-I316 PolarHBondContact O-N 3.48Å; E314-K317 WeakPolarHBondContact O-CB 3.33Å; E314-K317 PolarHBondContact O-N 3.45Å; E314-K317 WeakPolarHBondContact OE1-CD 3.23Å; E314-K317 WeakPolarHBondContact OE1-CE 3.36Å; E314-K317 IonicContact OE1-NZ 3.56Å; E314-K317 PolarHBondContact OE1-NZ 2.67Å; E314-Q318 WeakPolarHBondContact O-CG 3.27Å; E314-Q318 PolarHBondContact O-N 2.89Å
315Y76.6Confident77.2Confident119 Ų11986.1 Ų86.147%0.46741%0.413SS..Hα-helixtrans-60-41.1177-165.1-91.8000111.5H311 L312 K317 Q318 D319 F322H311-Y315 WeakPolarHBondContact O-CB 3.35Å; H311-Y315 PolarHBondContact O-N 2.77Å; L312-Y315 PolarHBondContact O-N 2.97Å; Y315-K317 VanDerWaalsContact C-N 3.32Å; Y315-K317 PolarHBondContact O-N 3.14Å; Y315-Q318 PolarHBondContact O-N 3.47Å; Y315-D319 HydrophobicContact CE1-CB 4.11Å; Y315-D319 PolarHBondContact O-N 3.08Å; Y315-F322 AromaticContact CD1-CD1 3.52Å; Y315-F322 HydrophobicContact CD1-CD1 3.52Å; Y315-F322 AromaticContact CD1-CE1 3.72Å; Y315-F322 HydrophobicContact CD1-CE1 3.72Å; Y315-F322 HydrophobicContact CD1-CG 4.22Å; Y315-F322 HydrophobicContact CE1-CB 4.32Å; Y315-F322 AromaticContact CE1-CD1 3.8Å; Y315-F322 HydrophobicContact CE1-CD1 3.8Å; Y315-F322 HydrophobicContact CE1-CE1 4.19Å; Y315-F322 HydrophobicContact CE1-CG 4.03Å
316I76.9Confident76.9Confident55 Ų5584.1 Ų84.128%0.28240%0.403SS..Hα-helixtrans-64.6-31.6174.5-67.2163.8000112.7L312 I313 E314 F322 S323 L326L312-I316 WeakPolarHBondContact O-CB 3.41Å; L312-I316 WeakPolarHBondContact O-CD1 3.47Å; L312-I316 WeakPolarHBondContact O-CG1 3.44Å; L312-I316 PolarHBondContact O-N 3.19Å; I313-I316 PolarHBondContact O-N 3.01Å; E314-I316 VanDerWaalsContact C-N 3.3Å; E314-I316 PolarHBondContact O-N 3.48Å; I316-F322 HydrophobicContact CG1-CD1 3.87Å; I316-F322 HydrophobicContact CG1-CE1 3.81Å; I316-S323 WeakPolarHBondContact O-CB 3.35Å; I316-L326 HydrophobicContact CD1-CD1 3.52Å; I316-L326 HydrophobicContact CG1-CD1 3.5Å; I316-L326 VanDerWaalsContact CG1-CD1 3.5Å
317K80Confident76.4Confident129 Ų12985.9 Ų85.956%0.56142%0.422SS*.Hα-helixtrans-72.3-32.8174.1-69.8170.4-168.7170.70112.2I313 E314 Y315I313-K317 WeakPolarHBondContact O-CG 3.22Å; I313-K317 PolarHBondContact O-N 2.91Å; I313-K317 VanDerWaalsContact O-N 3.15Å; E314-K317 WeakPolarHBondContact O-CB 3.33Å; E314-K317 PolarHBondContact O-N 3.45Å; E314-K317 WeakPolarHBondContact OE1-CD 3.23Å; E314-K317 WeakPolarHBondContact OE1-CE 3.36Å; E314-K317 IonicContact OE1-NZ 3.56Å; E314-K317 PolarHBondContact OE1-NZ 2.67Å; Y315-K317 VanDerWaalsContact C-N 3.32Å; Y315-K317 PolarHBondContact O-N 3.14Å
318Q80.4Confident75.5Confident150 Ų15092.2 Ų92.270%0.70145%0.451SS*.Hα-helixtrans-86.4-43.1-175.4-65.9178.63100112.4E314 Y315E314-Q318 WeakPolarHBondContact O-CG 3.27Å; E314-Q318 PolarHBondContact O-N 2.89Å; Y315-Q318 PolarHBondContact O-N 3.47Å
319D80.6Confident74.5Confident51 Ų5190.2 Ų90.227%0.27345%0.448SS..  trans-95.7100.7177.4-173.1-12.6000112.1Y315 I321 F322 S323Y315-D319 HydrophobicContact CE1-CB 4.11Å; Y315-D319 PolarHBondContact O-N 3.08Å; D319-I321 VanDerWaalsContact C-N 3.3Å; D319-I321 PolarHBondContact O-N 3.32Å; D319-I321 WeakPolarHBondContact OD1-CA 3.31Å; D319-I321 WeakPolarHBondContact OD1-CB 3.16Å; D319-I321 PolarHBondContact OD1-N 3.14Å; D319-F322 HydrophobicContact CB-CB 3.82Å; D319-F322 VanDerWaalsContact CG-CB 3.48Å; D319-F322 PolarHBondContact O-N 2.97Å; D319-F322 PolarHBondContact OD1-N 3.47Å; D319-F322 WeakPolarHBondContact OD2-CB 3.43Å; D319-S323 VanDerWaalsContact O-CB 3.31Å; D319-S323 WeakPolarHBondContact O-CB 3.42Å; D319-S323 PolarHBondContact O-N 2.94Å
320K78Confident73.4Confident183 Ų18394.4 Ų94.480%0.79647%0.466SS*.Hα-helixtrans-66.8-24.9176.2-66.9-173.1178.8-178.40114.1G324K320-G324 PolarHBondContact O-N 3.04Å
321I77.5Confident72.4Confident130 Ų13093.7 Ų93.767%0.66747%0.468SS*.Hα-helixtrans-74.2-48.4176.9-59.4176.8000108.4D319 S323 G324 I325D319-I321 VanDerWaalsContact C-N 3.3Å; D319-I321 PolarHBondContact O-N 3.32Å; D319-I321 WeakPolarHBondContact OD1-CA 3.31Å; D319-I321 WeakPolarHBondContact OD1-CB 3.16Å; D319-I321 PolarHBondContact OD1-N 3.14Å; I321-S323 PolarHBondContact O-N 3.26Å; I321-G324 CarbonylContact O-C 3.59Å; I321-G324 WeakPolarHBondContact O-CA 3.36Å; I321-G324 PolarHBondContact O-N 2.9Å; I321-G324 VanDerWaalsContact O-N 3.08Å; I321-I325 HydrophobicContact CG2-CD1 4.22Å; I321-I325 WeakPolarHBondContact O-CG1 3.21Å; I321-I325 PolarHBondContact O-N 2.87Å
322F73Confident71.5Confident64 Ų6491.2 Ų91.228%0.28146%0.462SS..Hα-helixtrans-60.7-43.1174.6-172.6-117000112.3Y315 I316 D319 G324 I325 L326Y315-F322 AromaticContact CD1-CD1 3.52Å; Y315-F322 HydrophobicContact CD1-CD1 3.52Å; Y315-F322 AromaticContact CD1-CE1 3.72Å; Y315-F322 HydrophobicContact CD1-CE1 3.72Å; Y315-F322 HydrophobicContact CD1-CG 4.22Å; Y315-F322 HydrophobicContact CE1-CB 4.32Å; Y315-F322 AromaticContact CE1-CD1 3.8Å; Y315-F322 HydrophobicContact CE1-CD1 3.8Å; Y315-F322 HydrophobicContact CE1-CE1 4.19Å; Y315-F322 HydrophobicContact CE1-CG 4.03Å; I316-F322 HydrophobicContact CG1-CD1 3.87Å; I316-F322 HydrophobicContact CG1-CE1 3.81Å; D319-F322 HydrophobicContact CB-CB 3.82Å; D319-F322 VanDerWaalsContact CG-CB 3.48Å; D319-F322 PolarHBondContact O-N 2.97Å; D319-F322 PolarHBondContact OD1-N 3.47Å; D319-F322 WeakPolarHBondContact OD2-CB 3.43Å; F322-G324 VanDerWaalsContact C-N 3.3Å; F322-G324 PolarHBondContact O-N 2.83Å; F322-I325 PolarHBondContact O-N 2.91Å; F322-I325 VanDerWaalsContact O-N 3.14Å; F322-L326 HydrophobicContact CD1-CD1 3.61Å; F322-L326 HydrophobicContact CD2-CD1 4.48Å; F322-L326 HydrophobicContact CE1-CD1 3.31Å; F322-L326 HydrophobicContact CE1-CG 4.31Å; F322-L326 HydrophobicContact CE2-CD1 4.21Å; F322-L326 HydrophobicContact CE2-CG 4.4Å; F322-L326 HydrophobicContact CG-CD1 4.21Å; F322-L326 HydrophobicContact CZ-CD1 3.64Å; F322-L326 HydrophobicContact CZ-CG 4.24Å; F322-L326 WeakPolarHBondContact O-CG 3.25Å; F322-L326 PolarHBondContact O-N 2.83Å
323S73.7Confident70.6Confident41 Ų4193.4 Ų93.429%0.28747%0.474SS..Hα-helixtrans-56.7-41.1170.7-166.80000112.6I316 D319 I321 S327I316-S323 WeakPolarHBondContact O-CB 3.35Å; D319-S323 VanDerWaalsContact O-CB 3.31Å; D319-S323 WeakPolarHBondContact O-CB 3.42Å; D319-S323 PolarHBondContact O-N 2.94Å; I321-S323 PolarHBondContact O-N 3.26Å; S323-S327 VanDerWaalsContact O-CB 3.28Å; S323-S327 WeakPolarHBondContact O-CB 3.41Å; S323-S327 PolarHBondContact O-N 3.45Å; S323-S327 PolarHBondContact O-OG 3.17Å
324G71.9Confident69.5Low23 Ų2394.5 Ų94.524%0.23748%0.484CS..Hα-helixtrans-64.5-40.7173.600000113.5K320 I321 F322 S327 Q328K320-G324 PolarHBondContact O-N 3.04Å; I321-G324 CarbonylContact O-C 3.59Å; I321-G324 WeakPolarHBondContact O-CA 3.36Å; I321-G324 PolarHBondContact O-N 2.9Å; I321-G324 VanDerWaalsContact O-N 3.08Å; F322-G324 VanDerWaalsContact C-N 3.3Å; F322-G324 PolarHBondContact O-N 2.83Å; G324-S327 PolarHBondContact O-OG 2.77Å; G324-Q328 WeakPolarHBondContact O-CB 3.46Å; G324-Q328 VanDerWaalsContact O-CG 3.3Å; G324-Q328 WeakPolarHBondContact O-CG 3.28Å; G324-Q328 PolarHBondContact O-N 2.89Å
325I69.9Low68.5Low107 Ų10794 Ų9455%0.54948%0.483SS..Hα-helixtrans-65-48.7176.2-67.6165.5000110.2I321 F322 Q328 A329I321-I325 HydrophobicContact CG2-CD1 4.22Å; I321-I325 WeakPolarHBondContact O-CG1 3.21Å; I321-I325 PolarHBondContact O-N 2.87Å; F322-I325 PolarHBondContact O-N 2.91Å; F322-I325 VanDerWaalsContact O-N 3.14Å; I325-Q328 PolarHBondContact O-N 3.43Å; I325-A329 VanDerWaalsContact O-CB 3.24Å; I325-A329 WeakPolarHBondContact O-CB 3.44Å; I325-A329 PolarHBondContact O-N 2.65Å
326L67.5Low67.4Low47 Ų4789.2 Ų89.225%0.24647%0.467CS..Hα-helixtrans-67.5-41.9-178.6-74.1168.6000113.2I316 F322 Q328 A329 M331I316-L326 HydrophobicContact CD1-CD1 3.52Å; I316-L326 HydrophobicContact CG1-CD1 3.5Å; I316-L326 VanDerWaalsContact CG1-CD1 3.5Å; F322-L326 HydrophobicContact CD1-CD1 3.61Å; F322-L326 HydrophobicContact CD2-CD1 4.48Å; F322-L326 HydrophobicContact CE1-CD1 3.31Å; F322-L326 HydrophobicContact CE1-CG 4.31Å; F322-L326 HydrophobicContact CE2-CD1 4.21Å; F322-L326 HydrophobicContact CE2-CG 4.4Å; F322-L326 HydrophobicContact CG-CD1 4.21Å; F322-L326 HydrophobicContact CZ-CD1 3.64Å; F322-L326 HydrophobicContact CZ-CG 4.24Å; F322-L326 WeakPolarHBondContact O-CG 3.25Å; F322-L326 PolarHBondContact O-N 2.83Å; L326-Q328 VanDerWaalsContact C-N 3.26Å; L326-Q328 PolarHBondContact O-N 3.43Å; L326-A329 PolarHBondContact O-N 3.5Å; L326-M331 HydrophobicContact CD2-CE 3.24Å
327S65.7Low66.4Low95 Ų9589 Ų8966%0.66447%0.473SS*.Hα-helixtrans-68.8-23.3178.356.60000113.6S323 G324S323-S327 VanDerWaalsContact O-CB 3.28Å; S323-S327 WeakPolarHBondContact O-CB 3.41Å; S323-S327 PolarHBondContact O-N 3.45Å; S323-S327 PolarHBondContact O-OG 3.17Å; G324-S327 PolarHBondContact O-OG 2.77Å
328Q58.7Low64.9Low163 Ų16383.1 Ų83.176%0.76245%0.448SS*.Hα-helixtrans-95.7-17.6173.5-64.7-179.630.700113.2G324 I325 L326 K330G324-Q328 WeakPolarHBondContact O-CB 3.46Å; G324-Q328 VanDerWaalsContact O-CG 3.3Å; G324-Q328 WeakPolarHBondContact O-CG 3.28Å; G324-Q328 PolarHBondContact O-N 2.89Å; I325-Q328 PolarHBondContact O-N 3.43Å; L326-Q328 VanDerWaalsContact C-N 3.26Å; L326-Q328 PolarHBondContact O-N 3.43Å; Q328-K330 PolarHBondContact O-N 2.68Å
329A56.7Low64Low44 Ų4480.3 Ų80.336%0.36444%0.437SS..  trans-66.3101.1172.800000109.2I325 L326 M331I325-A329 VanDerWaalsContact O-CB 3.24Å; I325-A329 WeakPolarHBondContact O-CB 3.44Å; I325-A329 PolarHBondContact O-N 2.65Å; L326-A329 PolarHBondContact O-N 3.5Å; A329-M331 HydrophobicContact CB-CG 4.26Å; A329-M331 PolarHBondContact O-N 3.06Å
330K57.3Low62.3Low174 Ų17480.9 Ų80.976%0.75744%0.44SS*.  trans-65.190.1152.1-65.1-168.8174.5-164.50106.8Q328 G332 P355Q328-K330 PolarHBondContact O-N 2.68Å; K330-G332 PolarHBondContact O-N 3.3Å; K330-P355 HydrophobicContact CB-CG 3.49Å; K330-P355 VanDerWaalsContact CB-CG 3.49Å; K330-P355 HydrophobicContact CD-CG 4.42Å; K330-P355 WeakPolarHBondContact O-CD 3.45Å; K330-P355 VanDerWaalsContact O-CG 3.24Å; K330-P355 WeakPolarHBondContact O-CG 3.23Å
331M58.7Low61.4Low104 Ų10478.5 Ų78.551%0.51243%0.432SS..  trans-64.5124.1168.4-62.2-179.4178.900107.4L326 A329 L352L326-M331 HydrophobicContact CD2-CE 3.24Å; A329-M331 HydrophobicContact CB-CG 4.26Å; A329-M331 PolarHBondContact O-N 3.06Å; M331-L352 HydrophobicContact CB-CD1 4.14Å; M331-L352 HydrophobicContact CE-CD1 4.26Å; M331-L352 HydrophobicContact CG-CD1 3.79Å; M331-L352 HydrophobicContact SD-CD1 3.7Å
332G61.7Low59.9Low21 Ų2176.6 Ų76.622%0.21642%0.423CS..  trans-77.2-164.1163.700000110.3K330 D353K330-G332 PolarHBondContact O-N 3.3Å; G332-D353 WeakPolarHBondContact CA-O 2.92Å; G332-D353 PolarHBondContact N-O 3.3Å
333N57.1Low58.8Low134 Ų13482 Ų8272%0.71745%0.449SS*.  trans-59.5149.5177.8-62.7-22.6000110.7I335 L352 D353N333-I335 PolarHBondContact O-N 3.07Å; N333-I335 VanDerWaalsContact O-N 3.09Å; N333-L352 WeakPolarHBondContact O-CA 3.41Å; N333-D353 PolarHBondContact O-N 2.95Å
334V57Low57.9Low90 Ų9083.2 Ų83.255%0.54545%0.452SS..EExtended strand (participates in β ladder)trans-60.4114157.4177.50000106S336 I350 H351 L352V334-S336 WeakPolarHBondContact CG1-O 3.44Å; V334-I350 HydrophobicContact CG1-CG2 3.91Å; V334-I350 HydrophobicContact CG2-CG2 4.12Å; V334-H351 WeakPolarHBondContact CA-O 3.46Å; V334-L352 HydrophobicContact CB-CD2 4.25Å; V334-L352 HydrophobicContact CG2-CD2 3.61Å
335I59.3Low56.8Low49 Ų4983.2 Ų83.225%0.25145%0.449SS..EExtended strand (participates in β ladder)trans-83.7-37.9177.7-39.1165.7000108.2N333 H351 D353 D663 T664N333-I335 PolarHBondContact O-N 3.07Å; N333-I335 VanDerWaalsContact O-N 3.09Å; I335-H351 PolarHBondContact N-O 3.06Å; I335-D353 HydrophobicContact CD1-CB 3.81Å; I335-D353 HydrophobicContact CG1-CB 3.81Å; I335-D663 HydrophobicContact CG2-CB 3.55Å; I335-T664 HydrophobicContact CB-CG2 3.68Å; I335-T664 WeakPolarHBondContact CB-OG1 3.32Å; I335-T664 HydrophobicContact CD1-CG2 3.66Å; I335-T664 HydrophobicContact CG1-CG2 4.3Å; I335-T664 HydrophobicContact CG2-CG2 3.65Å; I335-T664 WeakPolarHBondContact CG2-OG1 3.36Å; I335-T664 PolarHBondContact O-OG1 3.2Å
336S52.9Low56.3Low20 Ų2085 Ų8514%0.1445%0.45CS..EExtended strand (participates in β ladder)trans-160.3169172.463.90000112.1V334 H351 T664 L665V334-S336 WeakPolarHBondContact CG1-O 3.44Å; S336-H351 PolarHBondContact O-N 2.69Å; S336-T664 WeakPolarHBondContact CB-OG1 3.23Å; S336-T664 PolarHBondContact N-OG1 2.74Å; S336-T664 VanDerWaalsContact N-OG1 3.13Å; S336-T664 VanDerWaalsContact OG-CB 3.24Å; S336-T664 WeakPolarHBondContact OG-CB 3.26Å; S336-T664 PolarHBondContact OG-OG1 3.47Å; S336-L665 WeakPolarHBondContact OG-CB 3.48Å; S336-L665 WeakPolarHBondContact OG-CD1 3.32Å; S336-L665 WeakPolarHBondContact OG-CG 3.32Å
337A56.2Low55.7Low50 Ų5086.8 Ų86.841%0.41346%0.459SS..EExtended strand (participates in β ladder)trans-145.4119.1169.400000110.5L348 T349 I350A337-L348 HydrophobicContact CB-CD1 4.22Å; A337-T349 CarbonylContact C-O 3.58Å; A337-T349 VanDerWaalsContact CA-O 3.3Å; A337-T349 WeakPolarHBondContact CA-O 3.26Å; A337-I350 HydrophobicContact CB-CG1 4.11Å
338D48.8Very low55.6Low5 Ų586.5 Ų86.53%0.02745%0.45CS..EExtended strand (participates in β ladder)trans-97.9120.9-179.7-73.39.1000111.4L347 L348 T349 L665 F668D338-L347 VanDerWaalsContact O-O 3.04Å; D338-L348 CarbonylContact O-C 3.59Å; D338-L348 WeakPolarHBondContact O-CA 3.39Å; D338-T349 PolarHBondContact N-O 2.83Å; D338-T349 PolarHBondContact O-N 3.17Å; D338-L665 HydrophobicContact CB-CD1 3.84Å; D338-L665 WeakPolarHBondContact OD1-CB 3.3Å; D338-L665 WeakPolarHBondContact OD1-CD1 3.31Å; D338-L665 WeakPolarHBondContact OD2-CB 3.3Å; D338-L665 WeakPolarHBondContact OD2-CD1 3.34Å; D338-L665 WeakPolarHBondContact OD2-CD2 3.23Å; D338-F668 HydrophobicContact CB-CD1 4.2Å; D338-F668 HydrophobicContact CB-CD2 4.01Å; D338-F668 HydrophobicContact CB-CE1 3.95Å; D338-F668 HydrophobicContact CB-CE2 3.77Å; D338-F668 HydrophobicContact CB-CG 4.24Å; D338-F668 HydrophobicContact CB-CZ 3.75Å; D338-F668 VanDerWaalsContact CG-CG 3.43Å; D338-F668 WeakPolarHBondContact OD1-CD2 3.46Å; D338-F668 WeakPolarHBondContact OD1-CE2 3.45Å; D338-F668 WeakPolarHBondContact OD2-CG 3.27Å; D338-F668 PolarHBondContact OD2-N 2.79Å
339L61.8Low55.7Low91 Ų9180.7 Ų80.748%0.47643%0.426SS..EExtended strand (participates in β ladder)trans-77.678165.2171.7178.4000115.7Y346 L347 L348L339-Y346 HydrophobicContact CD1-CD1 4.39Å; L339-Y346 HydrophobicContact CD1-CG 4.49Å; L339-L347 WeakPolarHBondContact CB-O 3.36Å; L339-L348 HydrophobicContact CB-CB 4.48Å; L339-L348 HydrophobicContact CB-CD1 3.91Å; L339-L348 HydrophobicContact CD1-CB 4.27Å
340D45.8Very low55.7Low63 Ų6383 Ų8334%0.33743%0.431SS..EExtended strand (participates in β ladder)trans-84.2125.2174.8-82.5-30.7000111.5Y346 L347D340-Y346 CarbonylContact O-C 3.56Å; D340-Y346 WeakPolarHBondContact O-CA 3.34Å; D340-L347 HydrophobicContact CB-CB 4.01Å; D340-L347 HydrophobicContact CB-CD2 4.41Å; D340-L347 HydrophobicContact CB-CG 4.45Å; D340-L347 PolarHBondContact N-O 3.34Å; D340-L347 PolarHBondContact O-N 3.48Å
341E57.2Low55.7Low133 Ų13377.8 Ų77.862%0.62141%0.409SS*.EExtended strand (participates in β ladder)trans-111.4123.7173.5-178.6170.1-150.700111Y346E341-Y346 HydrophobicContact CB-CD1 4.07Å; E341-Y346 HydrophobicContact CB-CE1 4Å; E341-Y346 HydrophobicContact CG-CD1 4.05Å; E341-Y346 HydrophobicContact CG-CE1 3.57Å; E341-Y346 WeakPolarHBondContact OE1-CE1 3.49Å; E341-Y346 VanDerWaalsContact OE1-CZ 3.24Å; E341-Y346 PolarHBondContact OE1-OH 3.02Å
342N46.2Very low55.7Low90 Ų9076.1 Ų76.148%0.48140%0.402SS..EExtended strand (participates in β ladder)trans-113169.8170.7-57-45.3000109.6D344 S345N342-D344 PolarHBondContact O-N 2.89Å; N342-S345 PolarHBondContact N-O 3.09Å; N342-S345 PolarHBondContact ND2-OG 3.1Å; N342-S345 VanDerWaalsContact ND2-OG 3.14Å; N342-S345 PolarHBondContact O-N 3.06Å
343E50.1Low55.7Low179 Ų17978.5 Ų78.584%0.83641%0.409SS*.THydrogen-bonded Turntrans-49-31.6178.2-66.5-177.4148.500114
344D55.9Low55.8Low65 Ų6580.7 Ų80.735%0.34841%0.413SS..THydrogen-bonded Turntrans-118.7-4.5-175.8-59.5-41.5000115.5N342N342-D344 PolarHBondContact O-N 2.89Å
345S48.7Very low55.7Low24 Ų2479.2 Ų79.217%0.16841%0.405CS..EExtended strand (participates in β ladder)trans-156.4142.1-164.869.90000115.4N342N342-S345 PolarHBondContact N-O 3.09Å; N342-S345 PolarHBondContact ND2-OG 3.1Å; N342-S345 VanDerWaalsContact ND2-OG 3.14Å; N342-S345 PolarHBondContact O-N 3.06Å
346Y59.3Low55.1Low144 Ų14484.4 Ų84.457%0.56543%0.431SS*.EExtended strand (participates in β ladder)trans-96.8128.6160.7-58.9-76.6000110.1L339 D340 E341L339-Y346 HydrophobicContact CD1-CD1 4.39Å; L339-Y346 HydrophobicContact CD1-CG 4.49Å; D340-Y346 CarbonylContact O-C 3.56Å; D340-Y346 WeakPolarHBondContact O-CA 3.34Å; E341-Y346 HydrophobicContact CB-CD1 4.07Å; E341-Y346 HydrophobicContact CB-CE1 4Å; E341-Y346 HydrophobicContact CG-CD1 4.05Å; E341-Y346 HydrophobicContact CG-CE1 3.57Å; E341-Y346 WeakPolarHBondContact OE1-CE1 3.49Å; E341-Y346 VanDerWaalsContact OE1-CZ 3.24Å; E341-Y346 PolarHBondContact OE1-OH 3.02Å
347L55Low55Low85 Ų8593 Ų9345%0.44547%0.466SS..EExtended strand (participates in β ladder)trans-113.4114.7172.3165.966.3000108.7D338 L339 D340D338-L347 VanDerWaalsContact O-O 3.04Å; L339-L347 WeakPolarHBondContact CB-O 3.36Å; D340-L347 HydrophobicContact CB-CB 4.01Å; D340-L347 HydrophobicContact CB-CD2 4.41Å; D340-L347 HydrophobicContact CB-CG 4.45Å; D340-L347 PolarHBondContact N-O 3.34Å; D340-L347 PolarHBondContact O-N 3.48Å
348L63Low54.1Low88 Ų8895.1 Ų95.146%0.46148%0.484SS..EExtended strand (participates in β ladder)trans-98.2107.4174.3-179.164.3000110.6A337 D338 L339 I350A337-L348 HydrophobicContact CB-CD1 4.22Å; D338-L348 CarbonylContact O-C 3.59Å; D338-L348 WeakPolarHBondContact O-CA 3.39Å; L339-L348 HydrophobicContact CB-CB 4.48Å; L339-L348 HydrophobicContact CB-CD1 3.91Å; L339-L348 HydrophobicContact CD1-CB 4.27Å; L348-I350 HydrophobicContact CD1-CG1 4.47Å; L348-I350 HydrophobicContact CD2-CD1 4.13Å; L348-I350 HydrophobicContact CD2-CG1 4.32Å; L348-I350 HydrophobicContact CG-CD1 4.38Å; L348-I350 HydrophobicContact CG-CG1 4.01Å
349T60.9Low53.6Low42 Ų4299.5 Ų99.526%0.25852%0.521SS..EExtended strand (participates in β ladder)trans-103.297.3-178.1-61.20000111A337 D338 L665A337-T349 CarbonylContact C-O 3.58Å; A337-T349 VanDerWaalsContact CA-O 3.3Å; A337-T349 WeakPolarHBondContact CA-O 3.26Å; D338-T349 PolarHBondContact N-O 2.83Å; D338-T349 PolarHBondContact O-N 3.17Å; T349-L665 HydrophobicContact CG2-CD1 4.42Å; T349-L665 WeakPolarHBondContact O-CD1 3.39Å
350I57.7Low52.5Low92 Ų92104.6 Ų104.647%0.47254%0.539SS..EExtended strand (participates in β ladder)trans-91.4122.8180-51179.9000110.9V334 A337 L348 L352V334-I350 HydrophobicContact CG1-CG2 3.91Å; V334-I350 HydrophobicContact CG2-CG2 4.12Å; A337-I350 HydrophobicContact CB-CG1 4.11Å; L348-I350 HydrophobicContact CD1-CG1 4.47Å; L348-I350 HydrophobicContact CD2-CD1 4.13Å; L348-I350 HydrophobicContact CD2-CG1 4.32Å; L348-I350 HydrophobicContact CG-CD1 4.38Å; L348-I350 HydrophobicContact CG-CG1 4.01Å; I350-L352 HydrophobicContact CG2-CD2 3.83Å; I350-L352 HydrophobicContact CG2-CG 4.32Å
351H56.4Low52.2Low64 Ų64107.5 Ų107.530%0.29656%0.561SS.*EExtended strand (participates in β ladder)trans-97.2129171.8-79.3-147000110.8V334 I335 S336 T664 L665V334-H351 WeakPolarHBondContact CA-O 3.46Å; I335-H351 PolarHBondContact N-O 3.06Å; S336-H351 PolarHBondContact O-N 2.69Å; H351-T664 HydrophobicContact CB-CG2 3.97Å; H351-L665 VanDerWaalsContact CE1-CD2 3.44Å; H351-L665 WeakPolarHBondContact CE1-CD2 3.38Å; H351-L665 WeakPolarHBondContact NE2-CD2 3.22Å
352L59.6Low51.1Low70 Ų70110 Ų11037%0.36657%0.572SS.*EExtended strand (participates in β ladder)trans-118.7139.6-179.5-56.5176000110.4M331 N333 V334 I350M331-L352 HydrophobicContact CB-CD1 4.14Å; M331-L352 HydrophobicContact CE-CD1 4.26Å; M331-L352 HydrophobicContact CG-CD1 3.79Å; M331-L352 HydrophobicContact SD-CD1 3.7Å; N333-L352 WeakPolarHBondContact O-CA 3.41Å; V334-L352 HydrophobicContact CB-CD2 4.25Å; V334-L352 HydrophobicContact CG2-CD2 3.61Å; I350-L352 HydrophobicContact CG2-CD2 3.83Å; I350-L352 HydrophobicContact CG2-CG 4.32Å
353D60.2Low50.7Low70 Ų70116.8 Ų116.837%0.37459%0.591SS.*  trans-65.5147.8174.2178.138000111.5G332 N333 I335 P355G332-D353 WeakPolarHBondContact CA-O 2.92Å; G332-D353 PolarHBondContact N-O 3.3Å; N333-D353 PolarHBondContact O-N 2.95Å; I335-D353 HydrophobicContact CD1-CB 3.81Å; I335-D353 HydrophobicContact CG1-CB 3.81Å; D353-P355 WeakPolarHBondContact O-CD 3.42Å
354K59.1Low50Low181 Ų181115.1 Ų115.179%0.78759%0.588SS**  trans-101100.8170.3-77.6-177.7179.1172.60107.7I356K354-I356 PolarHBondContact O-N 2.99Å
355P55.8Low49.2Very low59 Ų59117 Ų11738%0.38360%0.604SS.*  trans-59.9111-172.721.2-30.6000110.7K330 D353 K357K330-P355 HydrophobicContact CB-CG 3.49Å; K330-P355 VanDerWaalsContact CB-CG 3.49Å; K330-P355 HydrophobicContact CD-CG 4.42Å; K330-P355 WeakPolarHBondContact O-CD 3.45Å; K330-P355 VanDerWaalsContact O-CG 3.24Å; K330-P355 WeakPolarHBondContact O-CG 3.23Å; D353-P355 WeakPolarHBondContact O-CD 3.42Å; P355-K357 PolarHBondContact O-N 3.47Å
356I46.9Very low48.6Very low157 Ų157125.5 Ų125.581%0.80564%0.641SS**  trans-61.6128.7179.6-58.1175.6000108.1K354 A358K354-I356 PolarHBondContact O-N 2.99Å; I356-A358 PolarHBondContact O-N 2.86Å
357K50.7Low47.7Very low201 Ų201126.1 Ų126.187%0.87465%0.654SS**  trans-61.3112.7171.3-75.9-179.2178.9173.90108.5P355 A359P355-K357 PolarHBondContact O-N 3.47Å; K357-A359 PolarHBondContact O-N 2.89Å
358A37.8Very low46.9Very low95 Ų95125.4 Ų125.479%0.78566%0.656SS**PPolyproline II helixtrans-50.5123.1177.300000111.1I356I356-A358 PolarHBondContact O-N 2.86Å
359A38.5Very low45.7Very low96 Ų96129.2 Ų129.279%0.79367%0.669SS**PPolyproline II helixtrans-62.6135.516900000108.8K357K357-A359 PolarHBondContact O-N 2.89Å
360K37.4Very low44.5Very low199 Ų199136.9 Ų136.987%0.86569%0.693SS**PPolyproline II helixtrans-61136-179.1-72.5-179.7176.9177.70110H362K360-H362 PolarHBondContact O-N 3.22Å
361P39.7Very low43.6Very low124 Ų124141.2 Ų141.281%0.80571%0.709SS**PPolyproline II helixtrans-64.8135.7176.326.9-33.8000110.6
362H35.4Very low42.7Very low184 Ų184142.7 Ų142.785%0.85273%0.726SS**PPolyproline II helixtrans-66.8131.3172.6-135.8-83000109.1K360K360-H362 PolarHBondContact O-N 3.22Å
363R36.6Very low41.8Very low233 Ų233147 Ų14788%0.87975%0.749SS**PPolyproline II helixtrans-90.8139.2171.9-85.1-177.7169.8177.9-4.3110
364D35.2Very low41Very low145 Ų145148.5 Ų148.578%0.77576%0.763SS**  trans-157168.5165.8-98.8-32.7000107.2
365P38.6Very low40.1Very low103 Ų103146.3 Ų146.367%0.66976%0.76SS**  cis-135.1152.3-42.336-21.6000111.9
366Q38Very low39.4Very low204 Ų204152.6 Ų152.695%0.95378%0.782SS**  trans164.4112.8151.3-96.9166.933.100110.8
367D39.9Very low39Very low157 Ų157149.5 Ų149.584%0.8477%0.774SS**  -163-178.4113.7-147.1-26.8000109.5
368S37.6Very low38.5Very low70 Ų70148.6 Ų148.649%0.4978%0.775SS.*  trans-132.2166.5-140.559.60000113.8
369K38.3Very low38.6Very low167 Ų167147.6 Ų147.673%0.72677%0.774SS**  trans90.3109156.1-64.7151.7-171.81450119.5
370R36.4Very low38.9Very low204 Ų204149.3 Ų149.377%0.7778%0.777SS**  113.4120109.4-84.4171.1178.7-178.9-1.5119
371K37.7Very low39Very low182 Ų182145.4 Ų145.479%0.79177%0.772SS**  trans73.2147.2139.4-67178.9176.5-1710118.9
372S38Very low39Very low96 Ų96149.5 Ų149.567%0.67178%0.777SS**  cis-177.7143.1-31.745.60000110.8
373N39.3Very low38.9Very low159 Ų159147 Ų14785%0.8577%0.774SS**  trans83152.1150.1-85.515.9000122.3
374P45Very low38.9Very low103 Ų103141.7 Ų141.767%0.66977%0.771SS**  trans-138.4-168.9-142.242-21.7000114.6
375N39.9Very low38.7Very low135 Ų135141.2 Ų141.272%0.72277%0.773SS**  trans-173.4133145-107.1-46.4000114.8
376K39.7Very low38.7Very low191 Ų191141.2 Ų141.283%0.8377%0.773SS**  trans56.4152.7143.1-68.4173.2-178-178.80118.7
377S39.1Very low38.5Very low92 Ų92139.1 Ų139.164%0.64377%0.769SS**  cis-176153.42.1150.40000107.6
378M41Very low38.2Very low182 Ų182142.1 Ų142.190%0.89777%0.768SS**  cis-171.3153.6-15.4-91.8-170.1-55.100107.7
379G40.3Very low38.1Very low74 Ų74144.7 Ų144.776%0.76378%0.783SS**  trans144.6143.9153.300000116.3
380P43.7Very low37.8Very low131 Ų131140.9 Ų140.985%0.85178%0.777SS**  -120.8163.5-125.139.8-30.4000118.1
381P40.5Very low37.7Very low117 Ų117135.2 Ų135.276%0.7677%0.769SS**  trans-107.5177.6179.342.1-35.9000114.3
382K37.9Very low37.5Very low211 Ų211135.5 Ų135.592%0.91777%0.77SS**  trans-177.1132.3145-102.7156.4-172.6-176.60114.8
383T34.4Very low37.4Very low130 Ų130137.9 Ų137.980%0.79878%0.776SS**  trans-84.5167.9153.447.80000109.5
384P35.7Very low37Very low123 Ų123138.7 Ų138.780%0.79977%0.772SS**  -158.8161.689.442.5-22.4000118.2
385T31.4Very low36.6Very low134 Ų134143.2 Ų143.282%0.82278%0.784SS**  trans-90.8-178150.440.70000109.6
386P39.3Very low36.1Very low104 Ų104143.4 Ų143.468%0.67579%0.785SS**  cis-125-176.7-2336.3-18.9000112.4
387N34.5Very low35.9Very low160 Ų160142.5 Ų142.586%0.85679%0.787SS**  170.3148.1126.2-91.3-25.9000115.1
388R31.9Very low35.5Very low220 Ų220143.3 Ų143.383%0.8379%0.79SS**  trans-86.1157.6171.5-168.4-174.2-179.3-169.63.6110.1
389P36Very low35Very low123 Ų123145.3 Ų145.380%0.79979%0.789SS**  -139161.5117.328.6-11.4000114.7
390S32.1Very low34.5Very low87 Ų87146.3 Ų146.361%0.60879%0.785SS**  trans-77.6158.917349.90000111.9
391S34.2Very low34.4Very low85 Ų85145.1 Ų145.159%0.59478%0.777SS**  161.9160.175.4520000112.1
392F33.9Very low34Very low188 Ų188148.2 Ų148.283%0.82578%0.782SS**  trans63.4147.4165.8-58.8-68.7000117.9
393N35.3Very low33.6Very low146 Ų146147.5 Ų147.578%0.78178%0.778SS**  cis-142.6167.115.7-129.2-14.3000114
394K31.9Very low33.5Very low176 Ų176148.1 Ų148.177%0.76578%0.782SS**  trans-77.1159.8177.4-62.8172174.91770112.5
395E35.8Very low33.1Very low199 Ų199147.2 Ų147.293%0.9378%0.779SS**  trans-149.8147.4131.8-124.1162.5-144.800112.2
396N29.9Very low33.3Very low139 Ų139149.4 Ų149.474%0.74378%0.78SS**  trans-99.1151.3-175.1-65.7-33.1000110.7
397I36.1Very low32.9Very low172 Ų172152 Ų15288%0.88278%0.78SS**  trans-132.7114151-56.1-179.2000108.9
398P29Very low32.8Very low108 Ų108150 Ų15070%0.70177%0.77SS**  trans-96.4152.4169.636.1-30.5000111.4
399Y31.9Very low32.9Very low224 Ų224145.7 Ų145.788%0.87876%0.763SS**  trans-144.4140.5156.4-155.5-101.1000113.2
400S29.6Very low32.7Very low96 Ų96146 Ų14667%0.67176%0.758SS**  trans-178.2167.1-176-106.70000106.3
401P41Very low32.9Very low106 Ų106147.4 Ų147.469%0.68876%0.763SS**  cis-127.7-166.6-32.433.2-13.9000109.6
402E32Very low32.8Very low182 Ų182151.4 Ų151.485%0.8577%0.773SS**  165.6157.2120.9-90.7-173.7165.800114.4
403K29.1Very low32.7Very low195 Ų195149.5 Ų149.585%0.84877%0.771SS**  trans-107.7143.2172.8-65.1173.7176177.40109.1
404T32Very low32.6Very low144 Ų144149.1 Ų149.188%0.88377%0.774SS**  trans-149.3147.8148.4-9.10000111.6
405S29.2Very low32.5Very low103 Ų103150.6 Ų150.672%0.7278%0.781SS**  trans-106.9179.1-174.8-50.90000111.3
406Q33.8Very low32.3Very low180 Ų180146.5 Ų146.584%0.84177%0.774SS**  trans80.8141.2166.2-59.7-179.3-8.500115.8
407K31.7Very low32.3Very low158 Ų158143.9 Ų143.969%0.68778%0.779SS**  cis-171165.2-17.7-129.4172.6146.8-83.50110
408D33Very low32Very low119 Ų119141.1 Ų141.164%0.63678%0.775SS**  trans81.6127.6148.4-58.4-24.8000122.6
409D33Very low32.3Very low130 Ų130141 Ų14170%0.69577%0.773SS**  trans84.4106.1142.2-8516.2000124.8
410N32.9Very low32.2Very low130 Ų130136 Ų13670%0.69576%0.761SS**  58.6141.1127.2-48.4-33.9000119
411T34.9Very low32.6Very low116 Ų116137.1 Ų137.171%0.71276%0.758SS**  cis-161.9142.440.8-56.90000112.4
412E33.1Very low32.3Very low169 Ų169136 Ų13679%0.7975%0.753SS**  trans27.4136.4152.7-56.1170.4153.900124.4
413D32Very low32.7Very low147 Ų147131.3 Ų131.379%0.78674%0.737SS**  trans55.5113.8140.7-68.9-12.5000122.7
414T33.2Very low33.3Very low139 Ų139125.9 Ų125.985%0.85371%0.714SS**  -168.1140.7104.1-73.30000111.7S416T414-S416 PolarHBondContact O-N 2.64Å
415K30.1Very low34.4Very low207 Ų207124.1 Ų124.190%0.970%0.7SS**  trans-64.8122.9-179-64.2167.2179.8169.70113.3
416S31.2Very low35.7Very low112 Ų112124.6 Ų124.678%0.78369%0.69SS**  trans-148.2145148.873.70000109.9T414 S418T414-S416 PolarHBondContact O-N 2.64Å; S416-S418 PolarHBondContact O-N 3.47Å
417G29.8Very low36.9Very low84 Ų84116.4 Ų116.487%0.86665%0.652SS**  trans-79.598.5-170.300000112.9V419G417-V419 PolarHBondContact O-N 2.83Å
418S29.8Very low38.5Very low114 Ų114111 Ų11180%0.79763%0.627SS**  trans-76116.4165.553.80000110.2S416S416-S418 PolarHBondContact O-N 3.47Å
419V34.8Very low39.7Very low107 Ų107110.2 Ų110.265%0.64862%0.623SS**  trans-67.2131.6163.5178.20000107.7G417 I421G417-V419 PolarHBondContact O-N 2.83Å; V419-I421 WeakPolarHBondContact O-CG1 3.19Å; V419-I421 PolarHBondContact O-N 2.9Å
420D30.8Very low41Very low118 Ų118106.7 Ų106.763%0.63161%0.606SS**  trans-77.691.3-178.4-163.4-19.1000110.5S422D420-S422 PolarHBondContact O-N 3.44Å; D420-S422 WeakPolarHBondContact OD1-CB 3.39Å; D420-S422 PolarHBondContact OD1-N 3Å; D420-S422 PolarHBondContact OD1-OG 3.15Å
421I37.7Very low42.6Very low119 Ų119101.6 Ų101.661%0.6158%0.578SS**G310 helixtrans-74-10.3-173.6-70.3156.1000112.3V419 T423V419-I421 WeakPolarHBondContact O-CG1 3.19Å; V419-I421 PolarHBondContact O-N 2.9Å; I421-T423 PolarHBondContact O-N 3.11Å; I421-T423 VanDerWaalsContact O-N 3.09Å
422S35.3Very low44.2Very low84 Ų8499.7 Ų99.759%0.58756%0.561SS**G310 helixtrans-68.1-11-169.766.80000116.3D420D420-S422 PolarHBondContact O-N 3.44Å; D420-S422 WeakPolarHBondContact OD1-CB 3.39Å; D420-S422 PolarHBondContact OD1-N 3Å; D420-S422 PolarHBondContact OD1-OG 3.15Å
423T38.4Very low46Very low83 Ų8394 Ų9451%0.50953%0.533SS..G310 helixtrans-97.7-5.3-167.8500000115.5I421I421-T423 PolarHBondContact O-N 3.11Å; I421-T423 VanDerWaalsContact O-N 3.09Å
424H43.1Very low48.1Very low80 Ų8091.3 Ų91.337%0.3752%0.523SS..SBendtrans-99.3-21.5-166.8-134.257.8000117Q426 Y427 S517H424-Q426 PolarHBondContact O-N 3.33Å; H424-Y427 PolarHBondContact O-N 3.25Å; H424-S517 VanDerWaalsContact NE2-CB 3.29Å; H424-S517 WeakPolarHBondContact NE2-CB 3.34Å; H424-S517 PolarHBondContact NE2-OG 2.97Å
425D55Low50.5Low108 Ų10888.7 Ų88.758%0.57850%0.504SS*.G310 helixtrans-66.4-31.2178.5-139.33.8000111.7Y427 R428 D429D425-Y427 PolarHBondContact O-N 3.03Å; D425-R428 PolarHBondContact O-N 2.66Å; D425-D429 PolarHBondContact O-N 3.01Å
426Q55.4Low53.5Low112 Ų11282.1 Ų82.152%0.52348%0.476SS..G310 helixtrans-54.9-20177.7-61.5-175.84.100114.6H424 R428 V430H424-Q426 PolarHBondContact O-N 3.33Å; Q426-R428 VanDerWaalsContact C-N 3.28Å; Q426-V430 WeakPolarHBondContact O-CG1 3.39Å
427Y58.9Low56.5Low8 Ų878.7 Ų78.73%0.03145%0.451CS..G310 helixtrans-71.6-23.7175.2-163.2-98.2000112.7H424 D425 P518 V519 D522 Q551 Q554 I555H424-Y427 PolarHBondContact O-N 3.25Å; D425-Y427 PolarHBondContact O-N 3.03Å; Y427-P518 HydrophobicContact CD1-CB 3.75Å; Y427-P518 HydrophobicContact CE1-CB 3.77Å; Y427-V519 HydrophobicContact CD2-CB 4Å; Y427-V519 HydrophobicContact CD2-CG2 4.32Å; Y427-V519 HydrophobicContact CE1-CB 4.44Å; Y427-V519 HydrophobicContact CE2-CB 3.63Å; Y427-V519 HydrophobicContact CE2-CG2 3.71Å; Y427-D522 PolarHBondContact OH-OD2 3.19Å; Y427-Q551 HydrophobicContact CD1-CG 4.31Å; Y427-Q551 HydrophobicContact CD2-CB 4.18Å; Y427-Q551 HydrophobicContact CD2-CG 3.76Å; Y427-Q551 HydrophobicContact CE1-CG 4.17Å; Y427-Q551 HydrophobicContact CE2-CB 3.58Å; Y427-Q551 HydrophobicContact CE2-CG 3.6Å; Y427-Q551 HydrophobicContact CG-CG 4.14Å; Y427-Q551 PolarHBondContact O-NE2 3.28Å; Y427-Q554 HydrophobicContact CD2-CB 4.21Å; Y427-Q554 HydrophobicContact CE2-CB 4.22Å; Y427-I555 HydrophobicContact CE2-CG1 4.39Å; Y427-I555 WeakPolarHBondContact OH-CD1 3.5Å; Y427-I555 WeakPolarHBondContact OH-CG1 3.24Å
428R66.1Low59.7Low45 Ų4576.1 Ų76.117%0.1742%0.419CS..THydrogen-bonded Turntrans-98.1-38.9-179.3-64.3176.7177.8-169-8.5112.3D425 Q426 V430 E431 S477 E721D425-R428 PolarHBondContact O-N 2.66Å; Q426-R428 VanDerWaalsContact C-N 3.28Å; R428-V430 PolarHBondContact O-N 2.82Å; R428-E431 PolarHBondContact O-N 3.07Å; R428-S477 VanDerWaalsContact NH2-CB 3.31Å; R428-E721 IonicContact CZ-OE2 3.46Å; R428-E721 VanDerWaalsContact CZ-OE2 3.23Å; R428-E721 IonicContact NH1-OE2 2.69Å; R428-E721 PolarHBondContact NH1-OE2 2.85Å; R428-E721 IonicContact NH2-OE1 3.43Å; R428-E721 IonicContact NH2-OE2 3.58Å; R428-E721 PolarHBondContact NH2-OE2 2.75Å
429D57.7Low62.8Low102 Ų10271.2 Ų71.255%0.54538%0.383SS..THydrogen-bonded Turntrans-65.3-7.8-174.6-66.1-30.6000115.1D425D425-D429 PolarHBondContact O-N 3.01Å
430V61.2Low65.6Low57 Ų5772.6 Ų72.635%0.34538%0.381SS..THydrogen-bonded Turntrans-92.62.9-178.5-66.70000114.3Q426 R428 T548 A550 Q551Q426-V430 WeakPolarHBondContact O-CG1 3.39Å; R428-V430 PolarHBondContact O-N 2.82Å; V430-T548 HydrophobicContact CB-CG2 4.39Å; V430-T548 HydrophobicContact CG2-CG2 4.17Å; V430-T548 WeakPolarHBondContact CG2-OG1 3.23Å; V430-T548 WeakPolarHBondContact O-CG2 3.43Å; V430-A550 HydrophobicContact CG1-CB 4.28Å; V430-Q551 HydrophobicContact CG2-CG 3.89Å
431E65.6Low68.6Low23 Ų2370.8 Ų70.811%0.10738%0.375CS..  trans-74.7142.4-178.9-75-83.2-160.900113.7R428 Y433 K690 R719 V722R428-E431 PolarHBondContact O-N 3.07Å; E431-Y433 VanDerWaalsContact C-N 3.34Å; E431-Y433 PolarHBondContact O-N 3.42Å; E431-K690 IonicContact OE1-NZ 2.72Å; E431-K690 IonicContact OE2-NZ 2.67Å; E431-K690 PolarHBondContact OE2-NZ 2.89Å; E431-R719 IonicContact OE1-CZ 2.62Å; E431-R719 VanDerWaalsContact OE1-CZ 3.23Å; E431-R719 IonicContact OE1-NH1 2.71Å; E431-R719 PolarHBondContact OE1-NH1 3.12Å; E431-R719 IonicContact OE1-NH2 3.66Å; E431-R719 PolarHBondContact OE1-NH2 2.89Å; E431-R719 IonicContact OE2-NH2 2.68Å; E431-V722 HydrophobicContact CG-CG1 3.83Å
432E68.8Low71.3Confident75 Ų7566.6 Ų66.635%0.3536%0.357SS..SBendtrans-71.4-27.2-179.4-171.7-174.4-16800113R638E432-R638 IonicContact OE1-CZ 3.7Å; E432-R638 IonicContact OE1-NH1 3.9Å; E432-R638 PolarHBondContact OE1-NH1 2.85Å; E432-R638 IonicContact OE1-NH2 3.04Å; E432-R638 PolarHBondContact OE1-NH2 3.02Å; E432-R638 IonicContact OE2-CZ 2.99Å; E432-R638 IonicContact OE2-NH1 2.81Å; E432-R638 IonicContact OE2-NH2 3.84Å; E432-R638 PolarHBondContact OE2-NH2 3.36Å
433Y71Confident74.1Confident49 Ų4969 Ų6919%0.19237%0.368CS..SBendtrans-96.2150.9-174.4-69.5-91.7000111.6E431 L435 K690 P691E431-Y433 VanDerWaalsContact C-N 3.34Å; E431-Y433 PolarHBondContact O-N 3.42Å; Y433-L435 PolarHBondContact O-N 2.95Å; Y433-K690 HydrophobicContact CD2-CB 4.34Å; Y433-K690 HydrophobicContact CE2-CB 3.64Å; Y433-K690 PolarHBondContact OH-N 3.39Å; Y433-P691 HydrophobicContact CD1-CG 3.88Å; Y433-P691 HydrophobicContact CE1-CG 3.98Å; Y433-P691 HydrophobicContact CG-CG 4.16Å
434P77.1Confident76.7Confident91 Ų9171.6 Ų71.659%0.59138%0.379SS*.  trans-55.1133.2172.9-23.733.6000111.8E436 I726P434-E436 PolarHBondContact O-N 3.36Å; P434-E436 VanDerWaalsContact O-N 3.11Å; P434-I726 HydrophobicContact CB-CD1 4.46Å; P434-I726 VanDerWaalsContact O-CD1 3.25Å; P434-I726 WeakPolarHBondContact O-CD1 3.33Å
435L83.5Confident79.3Confident85 Ų8571.1 Ų71.145%0.44538%0.376SS..  trans-69.1108.6176-63.2174.6000109.9Y433 P437 V722Y433-L435 PolarHBondContact O-N 2.95Å; L435-P437 WeakPolarHBondContact O-CD 3.14Å; L435-V722 CarbonylContact C-O 3.42Å; L435-V722 WeakPolarHBondContact CA-O 3.48Å; L435-V722 HydrophobicContact CD2-CG1 3.86Å
436E92.2Very high81.3Confident69 Ų6969.6 Ų69.632%0.32237%0.368SS..  trans-118.572.1168.8-64.7-168.3176.200110P434 V722 G725 I726 K729P434-E436 PolarHBondContact O-N 3.36Å; P434-E436 VanDerWaalsContact O-N 3.11Å; E436-V722 CarbonylContact C-O 3.43Å; E436-V722 PolarHBondContact N-O 2.81Å; E436-G725 WeakPolarHBondContact O-CA 3.46Å; E436-G725 PolarHBondContact O-N 3.37Å; E436-I726 HydrophobicContact CB-CG1 4Å; E436-I726 HydrophobicContact CG-CD1 4.3Å; E436-I726 HydrophobicContact CG-CG1 3.87Å; E436-K729 IonicContact OE1-NZ 2.87Å; E436-K729 PolarHBondContact OE1-NZ 2.83Å; E436-K729 WeakPolarHBondContact OE2-CE 3.44Å; E436-K729 IonicContact OE2-NZ 3.41Å; E436-K729 PolarHBondContact OE2-NZ 3.25Å
437P94.3Very high83.3Confident39 Ų3965.8 Ų65.825%0.25335%0.352SS..  trans-71.1137.6-179.929.6-36.4000111.6L435 K440 C720L435-P437 WeakPolarHBondContact O-CD 3.14Å; P437-K440 HydrophobicContact CG-CG 4.31Å; P437-K440 WeakPolarHBondContact O-CE 3.19Å; P437-C720 CarbonylContact C-O 3.52Å; P437-C720 WeakPolarHBondContact CA-O 3.38Å
438T96.5Very high85.2Confident30 Ų3068.2 Ų68.218%0.18437%0.366CS..SBendtrans-81.3-36.2170.349.50000111.4C720 L724 K728 L758 V759T438-C720 PolarHBondContact N-O 3.02Å; T438-C720 PolarHBondContact OG1-O 3.11Å; T438-C720 VanDerWaalsContact OG1-O 3.12Å; T438-L724 HydrophobicContact CG2-CB 4.02Å; T438-L724 HydrophobicContact CG2-CG 4.08Å; T438-K728 HydrophobicContact CG2-CD 3.73Å; T438-L758 WeakPolarHBondContact CB-O 3.29Å; T438-L758 PolarHBondContact OG1-O 3.43Å; T438-V759 WeakPolarHBondContact CG2-O 3.49Å
439L95.1Very high86.7Confident11 Ų1172.1 Ų72.16%0.05838%0.384CS..SBendtrans-100.2130174.8-17958.4000110.2G473 R480 C720 E721 L758L439-G473 VanDerWaalsContact CD1-O 3.27Å; L439-G473 WeakPolarHBondContact CD1-O 3.29Å; L439-R480 VanDerWaalsContact CD2-NH1 3.32Å; L439-C720 HydrophobicContact CB-CB 4.22Å; L439-C720 PolarHBondContact N-O 3.2Å; L439-E721 HydrophobicContact CB-CG 3.89Å; L439-E721 HydrophobicContact CD2-CG 4.05Å; L439-E721 HydrophobicContact CG-CG 4.01Å; L439-L758 HydrophobicContact CD2-CD2 3.71Å
440K93.2Very high88.7Confident136 Ų13667.4 Ų67.459%0.59136%0.359SS*.  trans-125.9156.2-176.5-64.4179.3-177.9177.80110.4P437 S442P437-K440 HydrophobicContact CG-CG 4.31Å; P437-K440 WeakPolarHBondContact O-CE 3.19Å; K440-S442 PolarHBondContact O-N 2.84Å
441P94.2Very high90.4Very high80 Ų8064.7 Ų64.752%0.51934%0.342SS..  trans-54.2133.7172.6-23.533.1000111.4T443P441-T443 PolarHBondContact O-N 3.07Å
442S95.1Very high92Very high32 Ų3268 Ų6822%0.22436%0.358CS..  trans-67129.8172.3177.20000109.6K440 N444 Q479K440-S442 PolarHBondContact O-N 2.84Å; S442-N444 VanDerWaalsContact C-N 3.25Å; S442-N444 PolarHBondContact O-N 3.07Å; S442-N444 PolarHBondContact OG-N 2.91Å; S442-Q479 PolarHBondContact O-NE2 2.94Å
443T94.5Very high93.4Very high133 Ų13366.2 Ų66.282%0.81635%0.349SS*.THydrogen-bonded Turntrans-69.6-25.7178.360.40000112.6P441P441-T443 PolarHBondContact O-N 3.07Å
444N92.6Very high94.6Very high138 Ų13863.9 Ų63.974%0.73834%0.34SS*.THydrogen-bonded Turntrans-111.243.5-175.5-57.8-5000109.5S442 D446S442-N444 VanDerWaalsContact C-N 3.25Å; S442-N444 PolarHBondContact O-N 3.07Å; S442-N444 PolarHBondContact OG-N 2.91Å; N444-D446 PolarHBondContact O-N 3.06Å
445F96.8Very high95.6Very high70 Ų7063 Ų6331%0.30733%0.328SS..  trans-70.9123.4-179174.3-123.6000111.1V447 D450 Q479 A482 I483F445-V447 HydrophobicContact CE1-CB 4.19Å; F445-V447 HydrophobicContact CE2-CB 4.12Å; F445-V447 HydrophobicContact CE2-CG2 4.39Å; F445-V447 HydrophobicContact CZ-CB 3.62Å; F445-V447 HydrophobicContact CZ-CG2 3.83Å; F445-D450 WeakPolarHBondContact CD2-OD2 3.26Å; F445-Q479 HydrophobicContact CB-CG 4.42Å; F445-Q479 HydrophobicContact CD1-CG 3.8Å; F445-Q479 HydrophobicContact CD2-CB 4Å; F445-Q479 HydrophobicContact CD2-CG 3.93Å; F445-Q479 HydrophobicContact CE1-CB 4.29Å; F445-Q479 HydrophobicContact CE1-CG 3.94Å; F445-Q479 HydrophobicContact CE2-CB 3.78Å; F445-Q479 HydrophobicContact CE2-CG 4.09Å; F445-Q479 HydrophobicContact CG-CB 4.36Å; F445-Q479 HydrophobicContact CG-CG 3.78Å; F445-Q479 HydrophobicContact CZ-CB 3.92Å; F445-Q479 HydrophobicContact CZ-CG 4.08Å; F445-A482 HydrophobicContact CE1-CB 4.36Å; F445-A482 HydrophobicContact CZ-CB 3.98Å; F445-I483 HydrophobicContact CE2-CD1 4Å; F445-I483 HydrophobicContact CE2-CG1 3.95Å; F445-I483 HydrophobicContact CZ-CG1 4.37Å
446D97.8Very high96.2Very high76 Ų7665.5 Ų65.541%0.40634%0.337SS..  trans-133105.8173.9178.9-21.8000107.1N444 D448 K449 D450N444-D446 PolarHBondContact O-N 3.06Å; D446-D448 VanDerWaalsContact C-N 3.3Å; D446-D448 PolarHBondContact O-N 3.16Å; D446-D448 PolarHBondContact OD1-N 3.39Å; D446-D448 VanDerWaalsContact OD1-N 3.09Å; D446-K449 HydrophobicContact CB-CB 3.88Å; D446-K449 VanDerWaalsContact CG-CB 3.48Å; D446-K449 PolarHBondContact O-N 3.45Å; D446-K449 PolarHBondContact OD1-N 2.7Å; D446-D450 WeakPolarHBondContact O-CB 3.48Å; D446-D450 VanDerWaalsContact O-CG 3.31Å; D446-D450 PolarHBondContact O-N 3.3Å
447V98Very high96.5Very high32 Ų3262.5 Ų62.519%0.19432%0.324CS..Hα-helixtrans-67.4-31.3-173.672.80000112.4F445 C451 A482 I483 K486F445-V447 HydrophobicContact CE1-CB 4.19Å; F445-V447 HydrophobicContact CE2-CB 4.12Å; F445-V447 HydrophobicContact CE2-CG2 4.39Å; F445-V447 HydrophobicContact CZ-CB 3.62Å; F445-V447 HydrophobicContact CZ-CG2 3.83Å; V447-C451 WeakPolarHBondContact O-CB 3.45Å; V447-C451 PolarHBondContact O-N 2.92Å; V447-C451 VanDerWaalsContact O-N 3.09Å; V447-C451 PolarHBondContact O-SG 3.08Å; V447-A482 HydrophobicContact CG2-CB 4.2Å; V447-I483 HydrophobicContact CG2-CG1 4.07Å; V447-K486 HydrophobicContact CG1-CD 4.24Å; V447-K486 HydrophobicContact CG1-CG 4.12Å; V447-K486 HydrophobicContact CG2-CB 3.59Å; V447-K486 HydrophobicContact CG2-CG 3.91Å
448D98.1Very high96.6Very high60 Ų6060.9 Ų60.932%0.32131%0.313SS..Hα-helixtrans-71-49.4177.6-77.2-95000109.6D446 D450 C451 E452 K486D446-D448 VanDerWaalsContact C-N 3.3Å; D446-D448 PolarHBondContact O-N 3.16Å; D446-D448 PolarHBondContact OD1-N 3.39Å; D446-D448 VanDerWaalsContact OD1-N 3.09Å; D448-D450 PolarHBondContact O-N 2.87Å; D448-C451 WeakPolarHBondContact O-CB 3.44Å; D448-C451 PolarHBondContact O-N 2.89Å; D448-E452 WeakPolarHBondContact O-CG 3.41Å; D448-E452 PolarHBondContact O-N 3.1Å; D448-K486 WeakPolarHBondContact OD1-CE 3.36Å; D448-K486 IonicContact OD1-NZ 3.58Å; D448-K486 PolarHBondContact OD1-NZ 2.75Å; D448-K486 WeakPolarHBondContact OD2-CE 3.25Å; D448-K486 IonicContact OD2-NZ 3.37Å; D448-K486 PolarHBondContact OD2-NZ 2.77Å
449K98Very high96.4Very high126 Ų12662.4 Ų62.455%0.54833%0.329SS..Hα-helixtrans-60.4-42.7176.7-174.8-173.5174.2-169.10112.6D446 C451 E452 Q453D446-K449 HydrophobicContact CB-CB 3.88Å; D446-K449 VanDerWaalsContact CG-CB 3.48Å; D446-K449 PolarHBondContact O-N 3.45Å; D446-K449 PolarHBondContact OD1-N 2.7Å; K449-C451 VanDerWaalsContact C-N 3.33Å; K449-E452 PolarHBondContact O-N 2.94Å; K449-Q453 WeakPolarHBondContact O-CB 3.4Å; K449-Q453 PolarHBondContact O-N 2.87Å
450D98.3Very high96.1Very high3 Ų365.5 Ų65.52%0.01636%0.364CS..Hα-helixtrans-64.1-39.5177.1-75.8-22.7000111.3F445 D446 D448 Q453 L454 V471 R475 I483F445-D450 WeakPolarHBondContact CD2-OD2 3.26Å; D446-D450 WeakPolarHBondContact O-CB 3.48Å; D446-D450 VanDerWaalsContact O-CG 3.31Å; D446-D450 PolarHBondContact O-N 3.3Å; D448-D450 PolarHBondContact O-N 2.87Å; D450-Q453 PolarHBondContact O-N 3.41Å; D450-L454 WeakPolarHBondContact O-CB 3.38Å; D450-L454 VanDerWaalsContact O-CG 3.28Å; D450-L454 WeakPolarHBondContact O-CG 3.2Å; D450-L454 PolarHBondContact O-N 2.89Å; D450-V471 HydrophobicContact CB-CG1 3.97Å; D450-R475 IonicContact OD1-CZ 2.7Å; D450-R475 IonicContact OD1-NE 2.64Å; D450-R475 PolarHBondContact OD1-NE 2.76Å; D450-R475 IonicContact OD1-NH2 3.79Å; D450-R475 PolarHBondContact OD1-NH2 2.86Å; D450-R475 WeakPolarHBondContact OD2-CD 3.38Å; D450-R475 IonicContact OD2-CZ 3.15Å; D450-R475 IonicContact OD2-NE 2.66Å; D450-R475 PolarHBondContact OD2-NE 2.73Å; D450-R475 IonicContact OD2-NH2 2.76Å; D450-I483 HydrophobicContact CB-CD1 3.73Å; D450-I483 HydrophobicContact CB-CG1 3.9Å
451C98.3Very high95.8Very high0 Ų068.6 Ų68.60%038%0.383CS..Hα-helixtrans-65-41.2174.2-72.50000112.6V447 D448 K449 H455 I483 Y487 M490 Y491V447-C451 WeakPolarHBondContact O-CB 3.45Å; V447-C451 PolarHBondContact O-N 2.92Å; V447-C451 VanDerWaalsContact O-N 3.09Å; V447-C451 PolarHBondContact O-SG 3.08Å; D448-C451 WeakPolarHBondContact O-CB 3.44Å; D448-C451 PolarHBondContact O-N 2.89Å; K449-C451 VanDerWaalsContact C-N 3.33Å; C451-H455 WeakPolarHBondContact O-CB 3.39Å; C451-H455 PolarHBondContact O-N 3.48Å; C451-I483 PolarHBondContact SG-O 2.68Å; C451-Y487 HydrophobicContact CB-CD2 4.27Å; C451-Y487 PolarHBondContact SG-N 2.91Å; C451-Y487 VanDerWaalsContact SG-N 3.39Å; C451-M490 HydrophobicContact CB-SD 3.58Å; C451-M490 VanDerWaalsContact CB-SD 3.58Å; C451-Y491 HydrophobicContact CB-CE2 4.26Å
452E97.9Very high95.6Very high94 Ų9467.2 Ų67.244%0.43938%0.383SS..Hα-helixtrans-64.2-44.5174.7-72.7-179.318000112D448 K449 L454 H455 Q456 M490 Y491D448-E452 WeakPolarHBondContact O-CG 3.41Å; D448-E452 PolarHBondContact O-N 3.1Å; K449-E452 PolarHBondContact O-N 2.94Å; E452-L454 PolarHBondContact O-N 3.34Å; E452-H455 PolarHBondContact O-N 3.45Å; E452-Q456 WeakPolarHBondContact O-CB 3.29Å; E452-Q456 VanDerWaalsContact O-CG 3.3Å; E452-Q456 WeakPolarHBondContact O-CG 3.44Å; E452-Q456 PolarHBondContact O-N 2.92Å; E452-M490 HydrophobicContact CG-CE 4.14Å; E452-Y491 WeakPolarHBondContact CA-OH 3.27Å
453Q98.1Very high95.6Very high37 Ų3767 Ų6717%0.17338%0.38CS..Hα-helixtrans-62-44.1178179.5166.6-5.700111.5K449 D450 A457 S467 E470 V471K449-Q453 WeakPolarHBondContact O-CB 3.4Å; K449-Q453 PolarHBondContact O-N 2.87Å; D450-Q453 PolarHBondContact O-N 3.41Å; Q453-A457 WeakPolarHBondContact O-CB 3.39Å; Q453-A457 PolarHBondContact O-N 3.36Å; Q453-S467 WeakPolarHBondContact CG-OG 3.14Å; Q453-S467 PolarHBondContact NE2-OG 3.08Å; Q453-E470 PolarHBondContact NE2-OE2 3.28Å; Q453-V471 HydrophobicContact CB-CG2 4.19Å; Q453-V471 HydrophobicContact CG-CG2 3.85Å
454L98.1Very high95.7Very high0 Ų064.6 Ų64.60%036%0.362CS..Hα-helixtrans-63.2-41.1173.3-71.5174.7000112.1D450 E452 A457 M458 L468 V471 M472 I483 Y487 L495 F499D450-L454 WeakPolarHBondContact O-CB 3.38Å; D450-L454 VanDerWaalsContact O-CG 3.28Å; D450-L454 WeakPolarHBondContact O-CG 3.2Å; D450-L454 PolarHBondContact O-N 2.89Å; E452-L454 PolarHBondContact O-N 3.34Å; L454-A457 PolarHBondContact O-N 2.87Å; L454-M458 HydrophobicContact CB-CE 4.26Å; L454-M458 WeakPolarHBondContact O-CE 3.31Å; L454-M458 WeakPolarHBondContact O-CG 3.28Å; L454-M458 PolarHBondContact O-N 3.29Å; L454-L468 HydrophobicContact CD2-CD2 3.57Å; L454-V471 HydrophobicContact CD1-CG1 4.04Å; L454-V471 HydrophobicContact CD2-CB 3.97Å; L454-V471 HydrophobicContact CD2-CG1 4.17Å; L454-V471 HydrophobicContact CD2-CG2 4.33Å; L454-V471 HydrophobicContact CG-CB 4.23Å; L454-V471 HydrophobicContact CG-CG1 4.02Å; L454-V471 HydrophobicContact CG-CG2 4.33Å; L454-M472 HydrophobicContact CD1-SD 4.33Å; L454-M472 HydrophobicContact CD2-CG 4.27Å; L454-I483 HydrophobicContact CD1-CG2 3.47Å; L454-I483 VanDerWaalsContact CD1-CG2 3.47Å; L454-Y487 HydrophobicContact CB-CD2 4.46Å; L454-Y487 HydrophobicContact CB-CE2 4.24Å; L454-L495 HydrophobicContact CD1-CD1 4.47Å; L454-L495 HydrophobicContact CD1-CD2 3.91Å; L454-F499 HydrophobicContact CD2-CE1 4.41Å; L454-F499 HydrophobicContact CD2-CZ 4.2Å
455H97Very high95.9Very high72 Ų7260.9 Ų60.933%0.33334%0.341SS..Hα-helixtrans-64.3-48.3179.1-170.292.2000111.8C451 E452 A457 M458 A459 Y487 Y491C451-H455 WeakPolarHBondContact O-CB 3.39Å; C451-H455 PolarHBondContact O-N 3.48Å; E452-H455 PolarHBondContact O-N 3.45Å; H455-A457 VanDerWaalsContact C-N 3.33Å; H455-A457 PolarHBondContact O-N 2.81Å; H455-M458 CarbonylContact O-C 3.57Å; H455-M458 PolarHBondContact O-N 3.32Å; H455-M458 VanDerWaalsContact O-N 3.16Å; H455-A459 PolarHBondContact O-N 2.63Å; H455-Y487 HydrophobicContact CB-CE2 4.01Å; H455-Y487 PolarHBondContact ND1-OH 3.47Å; H455-Y491 HydrophobicContact CB-CD2 4.39Å; H455-Y491 HydrophobicContact CB-CE1 4.19Å; H455-Y491 HydrophobicContact CB-CE2 3.69Å; H455-Y491 AromaticContact CE1-CD1 3.44Å; H455-Y491 VanDerWaalsContact CE1-CD1 3.44Å; H455-Y491 WeakPolarHBondContact CE1-CD1 3.48Å; H455-Y491 AromaticContact CE1-CE1 3.69Å; H455-Y491 AromaticContact CE1-CG 3.89Å; H455-Y491 AromaticContact CG-CE1 3.65Å; H455-Y491 AromaticContact CG-CE2 3.91Å; H455-Y491 AromaticContact CG-CZ 3.57Å; H455-Y491 AromaticContact ND1-CD1 3.31Å; H455-Y491 VanDerWaalsContact ND1-CD1 3.31Å; H455-Y491 WeakPolarHBondContact ND1-CD1 3.47Å; H455-Y491 AromaticContact ND1-CD2 3.64Å; H455-Y491 AromaticContact ND1-CE1 3.39Å; H455-Y491 WeakPolarHBondContact ND1-CE1 3.46Å; H455-Y491 AromaticContact ND1-CE2 3.7Å; H455-Y491 AromaticContact ND1-CG 3.44Å; H455-Y491 AromaticContact ND1-CZ 3.59Å
456Q97.1Very high95.9Very high137 Ų13764.8 Ų64.864%0.6436%0.357SS*.Hα-helixtrans-63.3-38.6178-69.4175.423.400111.8E452 M458 A459E452-Q456 WeakPolarHBondContact O-CB 3.29Å; E452-Q456 VanDerWaalsContact O-CG 3.3Å; E452-Q456 WeakPolarHBondContact O-CG 3.44Å; E452-Q456 PolarHBondContact O-N 2.92Å; Q456-M458 PolarHBondContact O-N 3.42Å; Q456-A459 PolarHBondContact O-N 3.24Å
457A97.5Very high95.8Very high6 Ų661.9 Ų61.95%0.0534%0.343CS..Hα-helixtrans-64.9-17.2176.600000114Q453 L454 H455 T463 N464 L468Q453-A457 WeakPolarHBondContact O-CB 3.39Å; Q453-A457 PolarHBondContact O-N 3.36Å; L454-A457 PolarHBondContact O-N 2.87Å; H455-A457 VanDerWaalsContact C-N 3.33Å; H455-A457 PolarHBondContact O-N 2.81Å; A457-T463 WeakPolarHBondContact O-CG2 3.23Å; A457-N464 HydrophobicContact CB-CB 4.14Å; A457-N464 PolarHBondContact O-N 3.16Å; A457-L468 HydrophobicContact CB-CD2 3.5Å; A457-L468 VanDerWaalsContact CB-CD2 3.5Å; A457-L468 HydrophobicContact CB-CG 4.18Å
458M96.9Very high95.8Very high5 Ų560.4 Ų60.43%0.02533%0.334CS..THydrogen-bonded Turntrans-11926.1177.4-54.5-178.9-80.300112.5L454 H455 Q456 T463 L468 Y487 L495 K498 F499 E502L454-M458 HydrophobicContact CB-CE 4.26Å; L454-M458 WeakPolarHBondContact O-CE 3.31Å; L454-M458 WeakPolarHBondContact O-CG 3.28Å; L454-M458 PolarHBondContact O-N 3.29Å; H455-M458 CarbonylContact O-C 3.57Å; H455-M458 PolarHBondContact O-N 3.32Å; H455-M458 VanDerWaalsContact O-N 3.16Å; Q456-M458 PolarHBondContact O-N 3.42Å; M458-T463 HydrophobicContact CG-CG2 4.06Å; M458-L468 HydrophobicContact CE-CD2 4.5Å; M458-L468 HydrophobicContact CG-CD1 4.21Å; M458-L468 HydrophobicContact CG-CD2 3.88Å; M458-L468 HydrophobicContact SD-CD1 4.45Å; M458-L468 HydrophobicContact SD-CD2 4.33Å; M458-Y487 HydrophobicContact CE-CE2 4.27Å; M458-L495 HydrophobicContact CE-CD1 3.82Å; M458-K498 HydrophobicContact CE-CG 3.73Å; M458-K498 WeakPolarHBondContact O-CE 3.18Å; M458-K498 PolarHBondContact O-NZ 2.86Å; M458-K498 HydrophobicContact SD-CD 4.4Å; M458-K498 HydrophobicContact SD-CG 3.69Å; M458-F499 HydrophobicContact CE-CD1 4.16Å; M458-F499 HydrophobicContact CE-CE1 3.85Å; M458-F499 HydrophobicContact SD-CD1 3.53Å; M458-F499 VanDerWaalsContact SD-CD1 3.53Å; M458-F499 HydrophobicContact SD-CE1 3.69Å; M458-E502 HydrophobicContact CB-CG 4.03Å; M458-E502 HydrophobicContact CG-CG 4.15Å; M458-E502 HydrophobicContact SD-CB 4.5Å; M458-E502 HydrophobicContact SD-CG 4.01Å
459A92.5Very high95.8Very high62 Ų6258.1 Ų58.151%0.51232%0.322SS..SBendtrans-107.5129.4177.700000110.8H455 Q456H455-A459 PolarHBondContact O-N 2.63Å; Q456-A459 PolarHBondContact O-N 3.24Å
460G89.2Confident95.8Very high76 Ų7657.4 Ų57.478%0.78432%0.32SS*.SBendtrans103-145.6178.400000113.2
461M86Confident95.7Very high202 Ų20257.2 Ų57.2100%0.99532%0.32SS*.SBendtrans-104.2118.5-179.5-178.8176179.400109.8
462G89.2Confident95.7Very high51 Ų5157.2 Ų57.253%0.52632%0.32SS..SBendtrans82.9-176.1-170.100000112
463T94.8Very high95.7Very high27 Ų2752.8 Ų52.817%0.16630%0.299CS..  trans-130.5155.5-174.4-50.20000109A457 M458 L468 E502 L503A457-T463 WeakPolarHBondContact O-CG2 3.23Å; M458-T463 HydrophobicContact CG-CG2 4.06Å; T463-L468 HydrophobicContact CG2-CD1 3.59Å; T463-L468 HydrophobicContact CG2-CG 4.34Å; T463-E502 HydrophobicContact CG2-CB 4.4Å; T463-E502 PolarHBondContact OG1-OE2 2.95Å; T463-L503 HydrophobicContact CG2-CD2 3.99Å
464N96.5Very high95.6Very high82 Ų8255.2 Ų55.244%0.43931%0.31SS..  trans-105.180.4171.8-179.1-4.7000108.9A457 K466 S467 L468A457-N464 HydrophobicContact CB-CB 4.14Å; A457-N464 PolarHBondContact O-N 3.16Å; N464-K466 PolarHBondContact O-N 3.43Å; N464-S467 WeakPolarHBondContact O-CB 3.18Å; N464-S467 PolarHBondContact O-N 2.96Å; N464-S467 PolarHBondContact OD1-N 3.35Å; N464-L468 PolarHBondContact O-N 3.08Å
465E96.9Very high95.6Very high60 Ų6056.5 Ų56.528%0.2832%0.315SS..Hα-helixtrans-57.4-36-173.8-59.480.4-174.800111.7S467 L468 I469 L503 F507 D750E465-S467 VanDerWaalsContact C-N 3.34Å; E465-S467 PolarHBondContact O-N 3.4Å; E465-L468 WeakPolarHBondContact O-CB 3.28Å; E465-L468 PolarHBondContact O-N 3.25Å; E465-L468 VanDerWaalsContact O-N 3.11Å; E465-I469 VanDerWaalsContact O-CG1 3.27Å; E465-I469 WeakPolarHBondContact O-CG1 3.36Å; E465-I469 PolarHBondContact O-N 2.95Å; E465-L503 HydrophobicContact CG-CD2 4.44Å; E465-F507 HydrophobicContact CB-CE1 3.89Å; E465-F507 HydrophobicContact CB-CZ 4.09Å; E465-F507 HydrophobicContact CG-CE1 3.73Å; E465-F507 HydrophobicContact CG-CZ 4.43Å; E465-D750 HydrophobicContact CB-CB 4.16Å; E465-D750 HydrophobicContact CG-CB 4.48Å
466K96.9Very high95.5Very high152 Ų15253.2 Ų53.266%0.66130%0.3SS*.Hα-helixtrans-58.7-43.3176.1-66.5-176.7179.7-179.70112.7N464 L468 I469 E470N464-K466 PolarHBondContact O-N 3.43Å; K466-L468 VanDerWaalsContact C-N 3.32Å; K466-I469 PolarHBondContact O-N 2.9Å; K466-E470 PolarHBondContact O-N 3.45Å
467S97.4Very high95.5Very high16 Ų1646.9 Ų46.911%0.11227%0.271CS..Hα-helixtrans-69.1-32.7177.1-172.70000111.8Q453 N464 E465 V471Q453-S467 WeakPolarHBondContact CG-OG 3.14Å; Q453-S467 PolarHBondContact NE2-OG 3.08Å; N464-S467 WeakPolarHBondContact O-CB 3.18Å; N464-S467 PolarHBondContact O-N 2.96Å; N464-S467 PolarHBondContact OD1-N 3.35Å; E465-S467 VanDerWaalsContact C-N 3.34Å; E465-S467 PolarHBondContact O-N 3.4Å; S467-V471 PolarHBondContact O-N 2.97Å
468L98.1Very high95.3Very high0 Ų052.5 Ų52.50%030%0.296CS..Hα-helixtrans-66.3-39.6172.8-56.2-172.6000112L454 A457 M458 T463 N464 E465 K466 M472 F499 L503 M511L454-L468 HydrophobicContact CD2-CD2 3.57Å; A457-L468 HydrophobicContact CB-CD2 3.5Å; A457-L468 VanDerWaalsContact CB-CD2 3.5Å; A457-L468 HydrophobicContact CB-CG 4.18Å; M458-L468 HydrophobicContact CE-CD2 4.5Å; M458-L468 HydrophobicContact CG-CD1 4.21Å; M458-L468 HydrophobicContact CG-CD2 3.88Å; M458-L468 HydrophobicContact SD-CD1 4.45Å; M458-L468 HydrophobicContact SD-CD2 4.33Å; T463-L468 HydrophobicContact CG2-CD1 3.59Å; T463-L468 HydrophobicContact CG2-CG 4.34Å; N464-L468 PolarHBondContact O-N 3.08Å; E465-L468 WeakPolarHBondContact O-CB 3.28Å; E465-L468 PolarHBondContact O-N 3.25Å; E465-L468 VanDerWaalsContact O-N 3.11Å; K466-L468 VanDerWaalsContact C-N 3.32Å; L468-M472 WeakPolarHBondContact O-CB 3.23Å; L468-M472 PolarHBondContact O-N 3.48Å; L468-F499 HydrophobicContact CD1-CD1 4.4Å; L468-F499 HydrophobicContact CD1-CE1 4.12Å; L468-F499 HydrophobicContact CD2-CE1 4.18Å; L468-L503 HydrophobicContact CD1-CD1 4.09Å; L468-L503 HydrophobicContact CD1-CD2 4.02Å; L468-L503 HydrophobicContact CD1-CG 4.45Å; L468-M511 HydrophobicContact CB-CE 3.68Å; L468-M511 HydrophobicContact CD1-CE 4.41Å
469I97.8Very high95.4Very high12 Ų1253 Ų536%0.06230%0.298CS..Hα-helixtrans-70.5-38.4177.6-66.5171.5000111.3E465 K466 V471 G473 H474 F507 D750 L753 I754 A757E465-I469 VanDerWaalsContact O-CG1 3.27Å; E465-I469 WeakPolarHBondContact O-CG1 3.36Å; E465-I469 PolarHBondContact O-N 2.95Å; K466-I469 PolarHBondContact O-N 2.9Å; I469-V471 VanDerWaalsContact C-N 3.27Å; I469-V471 PolarHBondContact O-N 3.25Å; I469-G473 VanDerWaalsContact O-CA 3.31Å; I469-G473 WeakPolarHBondContact O-CA 3.17Å; I469-G473 PolarHBondContact O-N 3.08Å; I469-H474 PolarHBondContact O-ND1 3.48Å; I469-F507 HydrophobicContact CD1-CE2 3.84Å; I469-F507 HydrophobicContact CD1-CZ 3.98Å; I469-F507 HydrophobicContact CG1-CE2 3.87Å; I469-F507 HydrophobicContact CG1-CZ 3.91Å; I469-D750 HydrophobicContact CD1-CB 4.15Å; I469-L753 HydrophobicContact CD1-CB 3.64Å; I469-I754 HydrophobicContact CB-CD1 4.4Å; I469-I754 HydrophobicContact CD1-CB 4.28Å; I469-I754 HydrophobicContact CG1-CB 4.09Å; I469-I754 HydrophobicContact CG1-CD1 4.25Å; I469-I754 HydrophobicContact CG2-CB 4.48Å; I469-I754 HydrophobicContact CG2-CD1 4.03Å; I469-A757 HydrophobicContact CG2-CB 4.3Å
470E96.5Very high95.7Very high111 Ų11150.3 Ų50.352%0.51928%0.275SS..Hα-helixtrans-57.9-39.8175.5-173.2177.2-161.800111.8Q453 K466 H474Q453-E470 PolarHBondContact NE2-OE2 3.28Å; K466-E470 PolarHBondContact O-N 3.45Å; E470-H474 WeakPolarHBondContact O-CB 3.47Å; E470-H474 PolarHBondContact O-ND1 2.93Å
471V97.6Very high96Very high0 Ų048.1 Ų48.10%025%0.246CC..Hα-helixtrans-77.6-65.6173.2-178.80000110.9D450 Q453 L454 S467 I469 G473 H474 R475 I483D450-V471 HydrophobicContact CB-CG1 3.97Å; Q453-V471 HydrophobicContact CB-CG2 4.19Å; Q453-V471 HydrophobicContact CG-CG2 3.85Å; L454-V471 HydrophobicContact CD1-CG1 4.04Å; L454-V471 HydrophobicContact CD2-CB 3.97Å; L454-V471 HydrophobicContact CD2-CG1 4.17Å; L454-V471 HydrophobicContact CD2-CG2 4.33Å; L454-V471 HydrophobicContact CG-CB 4.23Å; L454-V471 HydrophobicContact CG-CG1 4.02Å; L454-V471 HydrophobicContact CG-CG2 4.33Å; S467-V471 PolarHBondContact O-N 2.97Å; I469-V471 VanDerWaalsContact C-N 3.27Å; I469-V471 PolarHBondContact O-N 3.25Å; V471-G473 VanDerWaalsContact C-N 3.31Å; V471-G473 PolarHBondContact O-N 2.66Å; V471-H474 PolarHBondContact O-N 2.93Å; V471-H474 VanDerWaalsContact O-N 3.15Å; V471-R475 HydrophobicContact CG1-CG 4.41Å; V471-R475 VanDerWaalsContact O-CG 3.27Å; V471-R475 WeakPolarHBondContact O-CG 2.97Å; V471-R475 PolarHBondContact O-N 3.36Å; V471-I483 HydrophobicContact CG1-CD1 3.93Å
472M97.7Very high96.6Very high0 Ų040.1 Ų40.10%021%0.212CC..Hα-helixtrans-69.6-24.8-167.3-63.9-60.6-70.700114.1L454 L468 R480 F499 M511 L514L454-M472 HydrophobicContact CD1-SD 4.33Å; L454-M472 HydrophobicContact CD2-CG 4.27Å; L468-M472 WeakPolarHBondContact O-CB 3.23Å; L468-M472 PolarHBondContact O-N 3.48Å; M472-R480 HydrophobicContact CE-CB 4.27Å; M472-R480 HydrophobicContact CE-CG 4.18Å; M472-R480 VanDerWaalsContact O-CD 3.27Å; M472-R480 WeakPolarHBondContact O-CD 3.47Å; M472-R480 HydrophobicContact SD-CG 4.34Å; M472-F499 HydrophobicContact CE-CE2 4.17Å; M472-F499 HydrophobicContact CG-CE2 4.36Å; M472-F499 HydrophobicContact CG-CZ 4.03Å; M472-F499 HydrophobicContact SD-CE2 4.48Å; M472-F499 HydrophobicContact SD-CZ 4.37Å; M472-M511 HydrophobicContact CB-CE 3.83Å; M472-M511 HydrophobicContact CB-SD 4Å; M472-M511 HydrophobicContact CG-CE 3.54Å; M472-M511 HydrophobicContact CG-SD 4.34Å; M472-L514 HydrophobicContact CB-CD1 4.3Å; M472-L514 HydrophobicContact CE-CB 3.92Å
473G97.3Very high97Very high0 Ų037.7 Ų37.70%019%0.187CC..THydrogen-bonded Turntrans-84-10.417600000115L439 I469 V471L439-G473 VanDerWaalsContact CD1-O 3.27Å; L439-G473 WeakPolarHBondContact CD1-O 3.29Å; I469-G473 VanDerWaalsContact O-CA 3.31Å; I469-G473 WeakPolarHBondContact O-CA 3.17Å; I469-G473 PolarHBondContact O-N 3.08Å; V471-G473 VanDerWaalsContact C-N 3.31Å; V471-G473 PolarHBondContact O-N 2.66Å
474H96.9Very high97.2Very high88 Ų8837.5 Ų37.541%0.40719%0.186SC..SBendtrans-132.830.3-172.4-51.987.9000113.3I469 E470 V471I469-H474 PolarHBondContact O-ND1 3.48Å; E470-H474 WeakPolarHBondContact O-CB 3.47Å; E470-H474 PolarHBondContact O-ND1 2.93Å; V471-H474 PolarHBondContact O-N 2.93Å; V471-H474 VanDerWaalsContact O-N 3.15Å
475R97.1Very high97.2Very high28 Ų2839 Ų3911%0.10619%0.191CC..SBendtrans-131.4144.7172.5-62.5-62176.9-71.6-14.7108.4D450 V471 Q479 R480 I483D450-R475 IonicContact OD1-CZ 2.7Å; D450-R475 IonicContact OD1-NE 2.64Å; D450-R475 PolarHBondContact OD1-NE 2.76Å; D450-R475 IonicContact OD1-NH2 3.79Å; D450-R475 PolarHBondContact OD1-NH2 2.86Å; D450-R475 WeakPolarHBondContact OD2-CD 3.38Å; D450-R475 IonicContact OD2-CZ 3.15Å; D450-R475 IonicContact OD2-NE 2.66Å; D450-R475 PolarHBondContact OD2-NE 2.73Å; D450-R475 IonicContact OD2-NH2 2.76Å; V471-R475 HydrophobicContact CG1-CG 4.41Å; V471-R475 VanDerWaalsContact O-CG 3.27Å; V471-R475 WeakPolarHBondContact O-CG 2.97Å; V471-R475 PolarHBondContact O-N 3.36Å; R475-Q479 HydrophobicContact CB-CB 3.87Å; R475-R480 HydrophobicContact CB-CG 3.87Å; R475-R480 PolarHBondContact O-NH1 3.42Å; R475-I483 HydrophobicContact CB-CD1 4.49Å; R475-I483 HydrophobicContact CG-CD1 4.05Å
476S96.6Very high97.3Very high2 Ų238.9 Ų38.91%0.01419%0.189CC..  trans-66162.7173.7620000111.5E478 Q479 R480 E721S476-E478 PolarHBondContact O-N 3.27Å; S476-Q479 VanDerWaalsContact N-OE1 3.13Å; S476-Q479 CarbonylContact O-C 3.57Å; S476-Q479 WeakPolarHBondContact O-CA 3.42Å; S476-Q479 WeakPolarHBondContact O-CB 3.33Å; S476-Q479 PolarHBondContact O-N 3.47Å; S476-Q479 VanDerWaalsContact OG-CG 3.29Å; S476-Q479 WeakPolarHBondContact OG-CG 3.39Å; S476-Q479 PolarHBondContact OG-N 3.48Å; S476-R480 WeakPolarHBondContact O-CG 3.34Å; S476-R480 PolarHBondContact O-N 3.38Å; S476-E721 WeakPolarHBondContact CA-OE2 3.27Å; S476-E721 WeakPolarHBondContact CB-OE2 3.45Å
477S95.5Very high97.3Very high4 Ų431.7 Ų31.73%0.02816%0.158CC..Hα-helixtrans-56.3-39.7177-178.20000112R428 R480 V481 Y516 P518 E721R428-S477 VanDerWaalsContact NH2-CB 3.31Å; S477-R480 PolarHBondContact O-N 2.76Å; S477-V481 WeakPolarHBondContact O-CB 3.38Å; S477-V481 VanDerWaalsContact O-CG2 3.3Å; S477-V481 WeakPolarHBondContact O-CG2 3.31Å; S477-V481 PolarHBondContact O-N 3.3Å; S477-Y516 PolarHBondContact OG-O 2.68Å; S477-P518 WeakPolarHBondContact OG-CD 3.43Å; S477-E721 WeakPolarHBondContact CB-OE1 3.27Å; S477-E721 VanDerWaalsContact N-CD 3.26Å; S477-E721 PolarHBondContact N-OE1 2.84Å; S477-E721 PolarHBondContact N-OE2 2.91Å
478E94.9Very high97.3Very high124 Ų12437 Ų3758%0.57918%0.178SC*.Hα-helixtrans-58-49.3172.7-175-168.9-171.600111.7S476 R480 V481 A482S476-E478 PolarHBondContact O-N 3.27Å; E478-R480 VanDerWaalsContact C-N 3.34Å; E478-R480 PolarHBondContact O-N 3.39Å; E478-V481 PolarHBondContact O-N 3Å; E478-A482 PolarHBondContact O-N 3.31Å
479Q98.1Very high97.3Very high17 Ų1741.2 Ų41.28%0.07921%0.208CC..Hα-helixtrans-62.7-39.7176.5-69.5173.4-16.300111.5S442 F445 R475 S476 A482 I483S442-Q479 PolarHBondContact O-NE2 2.94Å; F445-Q479 HydrophobicContact CB-CG 4.42Å; F445-Q479 HydrophobicContact CD1-CG 3.8Å; F445-Q479 HydrophobicContact CD2-CB 4Å; F445-Q479 HydrophobicContact CD2-CG 3.93Å; F445-Q479 HydrophobicContact CE1-CB 4.29Å; F445-Q479 HydrophobicContact CE1-CG 3.94Å; F445-Q479 HydrophobicContact CE2-CB 3.78Å; F445-Q479 HydrophobicContact CE2-CG 4.09Å; F445-Q479 HydrophobicContact CG-CB 4.36Å; F445-Q479 HydrophobicContact CG-CG 3.78Å; F445-Q479 HydrophobicContact CZ-CB 3.92Å; F445-Q479 HydrophobicContact CZ-CG 4.08Å; R475-Q479 HydrophobicContact CB-CB 3.87Å; S476-Q479 VanDerWaalsContact N-OE1 3.13Å; S476-Q479 CarbonylContact O-C 3.57Å; S476-Q479 WeakPolarHBondContact O-CA 3.42Å; S476-Q479 WeakPolarHBondContact O-CB 3.33Å; S476-Q479 PolarHBondContact O-N 3.47Å; S476-Q479 VanDerWaalsContact OG-CG 3.29Å; S476-Q479 WeakPolarHBondContact OG-CG 3.39Å; S476-Q479 PolarHBondContact OG-N 3.48Å; Q479-A482 PolarHBondContact O-N 2.93Å; Q479-I483 WeakPolarHBondContact O-CD1 3.42Å; Q479-I483 WeakPolarHBondContact O-CG1 3.46Å; Q479-I483 PolarHBondContact O-N 2.84Å
480R98.2Very high97.3Very high4 Ų443.6 Ų43.62%0.01522%0.22CC..Hα-helixtrans-66.9-35.5175.9-64.5-175.1-43.8-100.83.9112.3L439 M472 R475 S476 S477 E478 I483 T484 L514 E721L439-R480 VanDerWaalsContact CD2-NH1 3.32Å; M472-R480 HydrophobicContact CE-CB 4.27Å; M472-R480 HydrophobicContact CE-CG 4.18Å; M472-R480 VanDerWaalsContact O-CD 3.27Å; M472-R480 WeakPolarHBondContact O-CD 3.47Å; M472-R480 HydrophobicContact SD-CG 4.34Å; R475-R480 HydrophobicContact CB-CG 3.87Å; R475-R480 PolarHBondContact O-NH1 3.42Å; S476-R480 WeakPolarHBondContact O-CG 3.34Å; S476-R480 PolarHBondContact O-N 3.38Å; S477-R480 PolarHBondContact O-N 2.76Å; E478-R480 VanDerWaalsContact C-N 3.34Å; E478-R480 PolarHBondContact O-N 3.39Å; R480-I483 PolarHBondContact O-N 3.48Å; R480-T484 WeakPolarHBondContact O-CG2 3.41Å; R480-T484 PolarHBondContact O-N 3.38Å; R480-T484 PolarHBondContact O-OG1 3.21Å; R480-L514 WeakPolarHBondContact CD-O 3.43Å; R480-L514 PolarHBondContact NE-O 2.89Å; R480-E721 IonicContact CZ-OE1 3.82Å; R480-E721 IonicContact NH1-OE1 2.74Å; R480-E721 PolarHBondContact NH1-OE1 2.72Å; R480-E721 IonicContact NH2-OE1 3.5Å; R480-E721 PolarHBondContact NH2-OE1 3.49Å
481V96.9Very high97.3Very high31 Ų3141.4 Ų41.419%0.18821%0.207CC..Hα-helixtrans-69.7-39.6173.2169.70000111.2S477 E478 I483 T484 Q485S477-V481 WeakPolarHBondContact O-CB 3.38Å; S477-V481 VanDerWaalsContact O-CG2 3.3Å; S477-V481 WeakPolarHBondContact O-CG2 3.31Å; S477-V481 PolarHBondContact O-N 3.3Å; E478-V481 PolarHBondContact O-N 3Å; V481-I483 VanDerWaalsContact C-N 3.33Å; V481-I483 PolarHBondContact O-N 2.92Å; V481-T484 PolarHBondContact O-N 3.3Å; V481-T484 PolarHBondContact O-OG1 3.05Å; V481-Q485 WeakPolarHBondContact O-CB 3.2Å; V481-Q485 VanDerWaalsContact O-CG 3.26Å; V481-Q485 WeakPolarHBondContact O-CG 3.27Å; V481-Q485 PolarHBondContact O-N 2.92Å; V481-Q485 VanDerWaalsContact O-N 3.08Å
482A97.7Very high97.1Very high33 Ų3344.7 Ų44.727%0.27324%0.241SC..Hα-helixtrans-61.9-41.4171.400000111.5F445 V447 E478 Q479 K486F445-A482 HydrophobicContact CE1-CB 4.36Å; F445-A482 HydrophobicContact CZ-CB 3.98Å; V447-A482 HydrophobicContact CG2-CB 4.2Å; E478-A482 PolarHBondContact O-N 3.31Å; Q479-A482 PolarHBondContact O-N 2.93Å; A482-K486 VanDerWaalsContact O-CB 3.22Å; A482-K486 WeakPolarHBondContact O-CB 3.49Å; A482-K486 PolarHBondContact O-N 3.49Å
483I98.4Very high96.9Very high0 Ų050.9 Ų50.90%027%0.268CS..Hα-helixtrans-61.5-47.5173.8-70.4162.1000111.4F445 V447 D450 C451 L454 V471 R475 Q479 R480 V481 Q485 K486 Y487 L495F445-I483 HydrophobicContact CE2-CD1 4Å; F445-I483 HydrophobicContact CE2-CG1 3.95Å; F445-I483 HydrophobicContact CZ-CG1 4.37Å; V447-I483 HydrophobicContact CG2-CG1 4.07Å; D450-I483 HydrophobicContact CB-CD1 3.73Å; D450-I483 HydrophobicContact CB-CG1 3.9Å; C451-I483 PolarHBondContact SG-O 2.68Å; L454-I483 HydrophobicContact CD1-CG2 3.47Å; L454-I483 VanDerWaalsContact CD1-CG2 3.47Å; V471-I483 HydrophobicContact CG1-CD1 3.93Å; R475-I483 HydrophobicContact CB-CD1 4.49Å; R475-I483 HydrophobicContact CG-CD1 4.05Å; Q479-I483 WeakPolarHBondContact O-CD1 3.42Å; Q479-I483 WeakPolarHBondContact O-CG1 3.46Å; Q479-I483 PolarHBondContact O-N 2.84Å; R480-I483 PolarHBondContact O-N 3.48Å; V481-I483 VanDerWaalsContact C-N 3.33Å; V481-I483 PolarHBondContact O-N 2.92Å; I483-Q485 VanDerWaalsContact C-N 3.33Å; I483-Q485 PolarHBondContact O-N 3.37Å; I483-K486 PolarHBondContact O-N 3.31Å; I483-Y487 WeakPolarHBondContact O-CB 3.45Å; I483-Y487 PolarHBondContact O-N 3.32Å; I483-L495 HydrophobicContact CG2-CD2 4.07Å
484T97.6Very high96.8Very high23 Ų2353.6 Ų53.614%0.14128%0.282CS..Hα-helixtrans-63.5-39.5-179.157.50000112R480 V481 K488 L495 C515R480-T484 WeakPolarHBondContact O-CG2 3.41Å; R480-T484 PolarHBondContact O-N 3.38Å; R480-T484 PolarHBondContact O-OG1 3.21Å; V481-T484 PolarHBondContact O-N 3.3Å; V481-T484 PolarHBondContact O-OG1 3.05Å; T484-K488 PolarHBondContact O-N 2.81Å; T484-L495 HydrophobicContact CG2-CB 4.24Å; T484-L495 HydrophobicContact CG2-CD2 3.85Å; T484-C515 HydrophobicContact CG2-CB 3.66Å
485Q97.2Very high96.8Very high115 Ų11549.4 Ų49.454%0.53726%0.263SS..Hα-helixtrans-65.4-46.5174.7-68.7175.31300112.1V481 I483 K488 S489V481-Q485 WeakPolarHBondContact O-CB 3.2Å; V481-Q485 VanDerWaalsContact O-CG 3.26Å; V481-Q485 WeakPolarHBondContact O-CG 3.27Å; V481-Q485 PolarHBondContact O-N 2.92Å; V481-Q485 VanDerWaalsContact O-N 3.08Å; I483-Q485 VanDerWaalsContact C-N 3.33Å; I483-Q485 PolarHBondContact O-N 3.37Å; Q485-K488 PolarHBondContact O-N 2.86Å; Q485-S489 PolarHBondContact O-N 3.26Å
486K98.1Very high96.7Very high56 Ų5649.1 Ų49.124%0.24326%0.264CS..Hα-helixtrans-68.3-41.1-179.9-176.475.5-170.1-133.80112.4V447 D448 A482 I483 K488 S489 M490V447-K486 HydrophobicContact CG1-CD 4.24Å; V447-K486 HydrophobicContact CG1-CG 4.12Å; V447-K486 HydrophobicContact CG2-CB 3.59Å; V447-K486 HydrophobicContact CG2-CG 3.91Å; D448-K486 WeakPolarHBondContact OD1-CE 3.36Å; D448-K486 IonicContact OD1-NZ 3.58Å; D448-K486 PolarHBondContact OD1-NZ 2.75Å; D448-K486 WeakPolarHBondContact OD2-CE 3.25Å; D448-K486 IonicContact OD2-NZ 3.37Å; D448-K486 PolarHBondContact OD2-NZ 2.77Å; A482-K486 VanDerWaalsContact O-CB 3.22Å; A482-K486 WeakPolarHBondContact O-CB 3.49Å; A482-K486 PolarHBondContact O-N 3.49Å; I483-K486 PolarHBondContact O-N 3.31Å; K486-K488 PolarHBondContact O-N 2.98Å; K486-S489 PolarHBondContact O-N 3.09Å; K486-S489 PolarHBondContact O-OG 3.09Å; K486-M490 HydrophobicContact CD-CG 4.31Å; K486-M490 HydrophobicContact CD-SD 4.28Å; K486-M490 VanDerWaalsContact CE-SD 3.52Å; K486-M490 HydrophobicContact CG-CG 4.18Å; K486-M490 HydrophobicContact CG-SD 3.78Å; K486-M490 WeakPolarHBondContact O-CG 3.48Å; K486-M490 PolarHBondContact O-N 3.15Å
487Y98.2Very high96.6Very high2 Ų252.4 Ų52.41%0.00829%0.288CS..Hα-helixtrans-58.7-39.5176.9-169.3-85.8000111.1C451 L454 H455 M458 I483 Y491 K493 L495 K498C451-Y487 HydrophobicContact CB-CD2 4.27Å; C451-Y487 PolarHBondContact SG-N 2.91Å; C451-Y487 VanDerWaalsContact SG-N 3.39Å; L454-Y487 HydrophobicContact CB-CD2 4.46Å; L454-Y487 HydrophobicContact CB-CE2 4.24Å; H455-Y487 HydrophobicContact CB-CE2 4.01Å; H455-Y487 PolarHBondContact ND1-OH 3.47Å; M458-Y487 HydrophobicContact CE-CE2 4.27Å; I483-Y487 WeakPolarHBondContact O-CB 3.45Å; I483-Y487 PolarHBondContact O-N 3.32Å; Y487-Y491 HydrophobicContact CD1-CD2 4.15Å; Y487-Y491 AromaticContact CD2-CD2 3.62Å; Y487-Y491 HydrophobicContact CD2-CD2 3.62Å; Y487-Y491 AromaticContact CD2-CE2 3.8Å; Y487-Y491 HydrophobicContact CD2-CE2 3.8Å; Y487-Y491 HydrophobicContact CE1-CD2 4.09Å; Y487-Y491 AromaticContact CE2-CD2 3.55Å; Y487-Y491 HydrophobicContact CE2-CD2 3.55Å; Y487-Y491 AromaticContact CE2-CE2 3.74Å; Y487-Y491 HydrophobicContact CE2-CE2 3.74Å; Y487-Y491 AromaticContact CG-CD2 3.92Å; Y487-Y491 HydrophobicContact CG-CD2 3.92Å; Y487-Y491 HydrophobicContact CG-CE2 4.47Å; Y487-Y491 AromaticContact CZ-CD2 3.78Å; Y487-Y491 WeakPolarHBondContact O-CD2 3.29Å; Y487-Y491 PolarHBondContact O-N 3.49Å; Y487-K493 WeakPolarHBondContact CD1-O 3.45Å; Y487-L495 HydrophobicContact CD1-CB 3.99Å; Y487-L495 HydrophobicContact CD1-CD1 3.98Å; Y487-L495 HydrophobicContact CD2-CD1 4.11Å; Y487-L495 HydrophobicContact CE1-CD1 4.02Å; Y487-L495 HydrophobicContact CE2-CD1 4.15Å; Y487-L495 HydrophobicContact CG-CB 4.27Å; Y487-L495 HydrophobicContact CG-CD1 4.03Å; Y487-K498 HydrophobicContact CE1-CB 4.49Å
488K97.6Very high96.6Very high126 Ų12653.8 Ų53.855%0.54829%0.293SS..Hα-helixtrans-65.6-37.3175.1-173.4176.3179.3176.70113T484 Q485 K486 G492 K493T484-K488 PolarHBondContact O-N 2.81Å; Q485-K488 PolarHBondContact O-N 2.86Å; K486-K488 PolarHBondContact O-N 2.98Å; K488-G492 VanDerWaalsContact O-CA 3.26Å; K488-G492 WeakPolarHBondContact O-CA 3.4Å; K488-G492 PolarHBondContact O-N 2.86Å; K488-K493 WeakPolarHBondContact CA-O 3.27Å
489S97.2Very high96.7Very high90 Ų9047.9 Ų47.963%0.62927%0.265SS*.Hα-helixtrans-77.4-35.4177.466.60000113.3Q485 K486Q485-S489 PolarHBondContact O-N 3.26Å; K486-S489 PolarHBondContact O-N 3.09Å; K486-S489 PolarHBondContact O-OG 3.09Å
490M97.3Very high96.6Very high62 Ų6253.8 Ų53.831%0.30529%0.291SS..Hα-helixtrans-72.1-41.5177.2-69.1178.178.700113.1C451 E452 K486C451-M490 HydrophobicContact CB-SD 3.58Å; C451-M490 VanDerWaalsContact CB-SD 3.58Å; E452-M490 HydrophobicContact CG-CE 4.14Å; K486-M490 HydrophobicContact CD-CG 4.31Å; K486-M490 HydrophobicContact CD-SD 4.28Å; K486-M490 VanDerWaalsContact CE-SD 3.52Å; K486-M490 HydrophobicContact CG-CG 4.18Å; K486-M490 HydrophobicContact CG-SD 3.78Å; K486-M490 WeakPolarHBondContact O-CG 3.48Å; K486-M490 PolarHBondContact O-N 3.15Å
491Y96.3Very high96.5Very high65 Ų6557.5 Ų57.526%0.25532%0.318SS..Hα-helixtrans-117.1-0.6-169-56-63.7000114.9C451 E452 H455 Y487 K493C451-Y491 HydrophobicContact CB-CE2 4.26Å; E452-Y491 WeakPolarHBondContact CA-OH 3.27Å; H455-Y491 HydrophobicContact CB-CD2 4.39Å; H455-Y491 HydrophobicContact CB-CE1 4.19Å; H455-Y491 HydrophobicContact CB-CE2 3.69Å; H455-Y491 AromaticContact CE1-CD1 3.44Å; H455-Y491 VanDerWaalsContact CE1-CD1 3.44Å; H455-Y491 WeakPolarHBondContact CE1-CD1 3.48Å; H455-Y491 AromaticContact CE1-CE1 3.69Å; H455-Y491 AromaticContact CE1-CG 3.89Å; H455-Y491 AromaticContact CG-CE1 3.65Å; H455-Y491 AromaticContact CG-CE2 3.91Å; H455-Y491 AromaticContact CG-CZ 3.57Å; H455-Y491 AromaticContact ND1-CD1 3.31Å; H455-Y491 VanDerWaalsContact ND1-CD1 3.31Å; H455-Y491 WeakPolarHBondContact ND1-CD1 3.47Å; H455-Y491 AromaticContact ND1-CD2 3.64Å; H455-Y491 AromaticContact ND1-CE1 3.39Å; H455-Y491 WeakPolarHBondContact ND1-CE1 3.46Å; H455-Y491 AromaticContact ND1-CE2 3.7Å; H455-Y491 AromaticContact ND1-CG 3.44Å; H455-Y491 AromaticContact ND1-CZ 3.59Å; Y487-Y491 HydrophobicContact CD1-CD2 4.15Å; Y487-Y491 AromaticContact CD2-CD2 3.62Å; Y487-Y491 HydrophobicContact CD2-CD2 3.62Å; Y487-Y491 AromaticContact CD2-CE2 3.8Å; Y487-Y491 HydrophobicContact CD2-CE2 3.8Å; Y487-Y491 HydrophobicContact CE1-CD2 4.09Å; Y487-Y491 AromaticContact CE2-CD2 3.55Å; Y487-Y491 HydrophobicContact CE2-CD2 3.55Å; Y487-Y491 AromaticContact CE2-CE2 3.74Å; Y487-Y491 HydrophobicContact CE2-CE2 3.74Å; Y487-Y491 AromaticContact CG-CD2 3.92Å; Y487-Y491 HydrophobicContact CG-CD2 3.92Å; Y487-Y491 HydrophobicContact CG-CE2 4.47Å; Y487-Y491 AromaticContact CZ-CD2 3.78Å; Y487-Y491 WeakPolarHBondContact O-CD2 3.29Å; Y487-Y491 PolarHBondContact O-N 3.49Å; Y491-K493 PolarHBondContact O-N 3.38Å; Y491-K493 VanDerWaalsContact O-N 3.11Å
492G95.2Very high96.4Very high68 Ų6858.8 Ų58.870%0.70132%0.321SS*.SBendtrans64.213.5-179.600000114.6K488K488-G492 VanDerWaalsContact O-CA 3.26Å; K488-G492 WeakPolarHBondContact O-CA 3.4Å; K488-G492 PolarHBondContact O-N 2.86Å
493K92.4Very high96.4Very high131 Ų13157.9 Ų57.957%0.5731%0.312SS*.SBendtrans-126.1137.9-176.5-69.6-178.3-178.8-179.50110.2Y487 K488 Y491Y487-K493 WeakPolarHBondContact CD1-O 3.45Å; K488-K493 WeakPolarHBondContact CA-O 3.27Å; Y491-K493 PolarHBondContact O-N 3.38Å; Y491-K493 VanDerWaalsContact O-N 3.11Å
494D94.7Very high96.1Very high56 Ų5662.7 Ų62.730%0.29935%0.346SS..  trans-69.7134.5172.7175.7-95.8000111.1T496 S497 K498D494-T496 WeakPolarHBondContact OD1-CB 3.48Å; D494-T496 PolarHBondContact OD1-N 3.03Å; D494-T496 PolarHBondContact OD1-OG1 3.41Å; D494-S497 PolarHBondContact O-N 3.34Å; D494-S497 PolarHBondContact OD1-N 2.92Å; D494-S497 PolarHBondContact OD1-OG 3.47Å; D494-K498 PolarHBondContact O-N 2.86Å
495L96.6Very high96Very high0 Ų063.9 Ų63.90%036%0.363CS..Hα-helixtrans-68.5-38.7-174.8-176.858.5000112.2L454 M458 I483 T484 Y487 S497 K498 F499L454-L495 HydrophobicContact CD1-CD1 4.47Å; L454-L495 HydrophobicContact CD1-CD2 3.91Å; M458-L495 HydrophobicContact CE-CD1 3.82Å; I483-L495 HydrophobicContact CG2-CD2 4.07Å; T484-L495 HydrophobicContact CG2-CB 4.24Å; T484-L495 HydrophobicContact CG2-CD2 3.85Å; Y487-L495 HydrophobicContact CD1-CB 3.99Å; Y487-L495 HydrophobicContact CD1-CD1 3.98Å; Y487-L495 HydrophobicContact CD2-CD1 4.11Å; Y487-L495 HydrophobicContact CE1-CD1 4.02Å; Y487-L495 HydrophobicContact CE2-CD1 4.15Å; Y487-L495 HydrophobicContact CG-CB 4.27Å; Y487-L495 HydrophobicContact CG-CD1 4.03Å; L495-S497 VanDerWaalsContact C-N 3.31Å; L495-S497 PolarHBondContact O-N 3.48Å; L495-K498 PolarHBondContact O-N 2.84Å; L495-F499 HydrophobicContact CD1-CD1 4.29Å; L495-F499 HydrophobicContact CD1-CE1 3.83Å; L495-F499 HydrophobicContact CD1-CE2 4.1Å; L495-F499 HydrophobicContact CD1-CZ 3.73Å; L495-F499 HydrophobicContact CD2-CE2 4.04Å; L495-F499 HydrophobicContact CD2-CZ 4.04Å; L495-F499 HydrophobicContact CG-CD2 4.19Å; L495-F499 HydrophobicContact CG-CE1 4.4Å; L495-F499 HydrophobicContact CG-CE2 3.76Å; L495-F499 HydrophobicContact CG-CZ 3.86Å; L495-F499 PolarHBondContact O-N 3.12Å
496T95.2Very high95.8Very high22 Ų2259.9 Ų59.914%0.13535%0.347CS..Hα-helixtrans-64.3-39.9176.471.90000111.1D494 K498 F499 K500 C515 Y516D494-T496 WeakPolarHBondContact OD1-CB 3.48Å; D494-T496 PolarHBondContact OD1-N 3.03Å; D494-T496 PolarHBondContact OD1-OG1 3.41Å; T496-K498 VanDerWaalsContact C-N 3.33Å; T496-K498 PolarHBondContact O-N 2.83Å; T496-F499 PolarHBondContact O-N 3.43Å; T496-K500 WeakPolarHBondContact O-CB 3.48Å; T496-K500 PolarHBondContact O-N 2.88Å; T496-C515 HydrophobicContact CG2-CB 3.5Å; T496-Y516 HydrophobicContact CG2-CE1 4.13Å
497S95.1Very high95.8Very high72 Ų7258.1 Ų58.150%0.50334%0.339SS..Hα-helixtrans-65.9-35176.4-56.50000112.3D494 L495 K500 S501D494-S497 PolarHBondContact O-N 3.34Å; D494-S497 PolarHBondContact OD1-N 2.92Å; D494-S497 PolarHBondContact OD1-OG 3.47Å; L495-S497 VanDerWaalsContact C-N 3.31Å; L495-S497 PolarHBondContact O-N 3.48Å; S497-K500 PolarHBondContact O-N 3.26Å; S497-S501 PolarHBondContact O-N 2.82Å
498K96Very high95.7Very high33 Ų3358.9 Ų58.914%0.14334%0.342CS..Hα-helixtrans-73-43.8173.8177.659.8178.4167.80111.4M458 Y487 D494 L495 T496 K500 S501 E502M458-K498 HydrophobicContact CE-CG 3.73Å; M458-K498 WeakPolarHBondContact O-CE 3.18Å; M458-K498 PolarHBondContact O-NZ 2.86Å; M458-K498 HydrophobicContact SD-CD 4.4Å; M458-K498 HydrophobicContact SD-CG 3.69Å; Y487-K498 HydrophobicContact CE1-CB 4.49Å; D494-K498 PolarHBondContact O-N 2.86Å; L495-K498 PolarHBondContact O-N 2.84Å; T496-K498 VanDerWaalsContact C-N 3.33Å; T496-K498 PolarHBondContact O-N 2.83Å; K498-K500 PolarHBondContact O-N 3.27Å; K498-S501 PolarHBondContact O-N 2.97Å; K498-S501 VanDerWaalsContact O-N 3.08Å; K498-S501 PolarHBondContact O-OG 3.24Å; K498-E502 HydrophobicContact CD-CG 4.04Å; K498-E502 IonicContact NZ-OE1 2.75Å; K498-E502 PolarHBondContact NZ-OE1 2.91Å; K498-E502 IonicContact NZ-OE2 2.66Å; K498-E502 VanDerWaalsContact O-CG 3.27Å; K498-E502 WeakPolarHBondContact O-CG 3.3Å; K498-E502 PolarHBondContact O-N 3.33Å
499F97.4Very high95.7Very high0 Ų056 Ų560%033%0.333CS..Hα-helixtrans-56.8-35.6170.7-71.4-27.4000111.9L454 M458 L468 M472 L495 T496 S501 E502 L503 Y508 M511 C515L454-F499 HydrophobicContact CD2-CE1 4.41Å; L454-F499 HydrophobicContact CD2-CZ 4.2Å; M458-F499 HydrophobicContact CE-CD1 4.16Å; M458-F499 HydrophobicContact CE-CE1 3.85Å; M458-F499 HydrophobicContact SD-CD1 3.53Å; M458-F499 VanDerWaalsContact SD-CD1 3.53Å; M458-F499 HydrophobicContact SD-CE1 3.69Å; L468-F499 HydrophobicContact CD1-CD1 4.4Å; L468-F499 HydrophobicContact CD1-CE1 4.12Å; L468-F499 HydrophobicContact CD2-CE1 4.18Å; M472-F499 HydrophobicContact CE-CE2 4.17Å; M472-F499 HydrophobicContact CG-CE2 4.36Å; M472-F499 HydrophobicContact CG-CZ 4.03Å; M472-F499 HydrophobicContact SD-CE2 4.48Å; M472-F499 HydrophobicContact SD-CZ 4.37Å; L495-F499 HydrophobicContact CD1-CD1 4.29Å; L495-F499 HydrophobicContact CD1-CE1 3.83Å; L495-F499 HydrophobicContact CD1-CE2 4.1Å; L495-F499 HydrophobicContact CD1-CZ 3.73Å; L495-F499 HydrophobicContact CD2-CE2 4.04Å; L495-F499 HydrophobicContact CD2-CZ 4.04Å; L495-F499 HydrophobicContact CG-CD2 4.19Å; L495-F499 HydrophobicContact CG-CE1 4.4Å; L495-F499 HydrophobicContact CG-CE2 3.76Å; L495-F499 HydrophobicContact CG-CZ 3.86Å; L495-F499 PolarHBondContact O-N 3.12Å; T496-F499 PolarHBondContact O-N 3.43Å; F499-S501 VanDerWaalsContact C-N 3.3Å; F499-S501 PolarHBondContact O-N 2.94Å; F499-E502 PolarHBondContact O-N 3.36Å; F499-L503 HydrophobicContact CB-CD1 4.21Å; F499-L503 HydrophobicContact CD1-CD1 4.13Å; F499-L503 HydrophobicContact CG-CD1 4.27Å; F499-L503 VanDerWaalsContact O-CB 3.32Å; F499-L503 WeakPolarHBondContact O-CB 3.41Å; F499-L503 PolarHBondContact O-N 3.45Å; F499-Y508 HydrophobicContact CB-CD2 4.22Å; F499-Y508 HydrophobicContact CB-CE2 4.2Å; F499-M511 HydrophobicContact CD2-CB 4.14Å; F499-M511 HydrophobicContact CE1-CE 4.02Å; F499-M511 HydrophobicContact CE2-CB 4.41Å; F499-M511 HydrophobicContact CE2-CE 3.97Å; F499-M511 HydrophobicContact CZ-CE 3.67Å; F499-C515 VanDerWaalsContact CE2-SG 3.55Å
500K95.8Very high95.7Very high140 Ų14051.8 Ų51.861%0.60930%0.303SS*.Hα-helixtrans-67.5-25.2178-164.3173.7-173.7165.40114.5T496 S497 K498 Y508T496-K500 WeakPolarHBondContact O-CB 3.48Å; T496-K500 PolarHBondContact O-N 2.88Å; S497-K500 PolarHBondContact O-N 3.26Å; K498-K500 PolarHBondContact O-N 3.27Å; K500-Y508 HydrophobicContact CB-CD2 4.34Å; K500-Y508 HydrophobicContact CB-CE2 3.47Å; K500-Y508 VanDerWaalsContact CB-CE2 3.47Å; K500-Y508 WeakPolarHBondContact CD-OH 3.46Å; K500-Y508 HydrophobicContact CG-CE2 3.92Å; K500-Y508 VanDerWaalsContact N-CE2 3.32Å
501S94.8Very high95.8Very high83 Ų8348.8 Ų48.858%0.5829%0.289SS*.Hα-helixtrans-86.5-17.3175.8620000113.5S497 K498 F499S497-S501 PolarHBondContact O-N 2.82Å; K498-S501 PolarHBondContact O-N 2.97Å; K498-S501 VanDerWaalsContact O-N 3.08Å; K498-S501 PolarHBondContact O-OG 3.24Å; F499-S501 VanDerWaalsContact C-N 3.3Å; F499-S501 PolarHBondContact O-N 2.94Å
502E96.1Very high95.8Very high57 Ų5746.8 Ų46.827%0.26628%0.282SS..Hα-helixtrans-108-37-173.2-58.9-63135.900112.7M458 T463 K498 F499M458-E502 HydrophobicContact CB-CG 4.03Å; M458-E502 HydrophobicContact CG-CG 4.15Å; M458-E502 HydrophobicContact SD-CB 4.5Å; M458-E502 HydrophobicContact SD-CG 4.01Å; T463-E502 HydrophobicContact CG2-CB 4.4Å; T463-E502 PolarHBondContact OG1-OE2 2.95Å; K498-E502 HydrophobicContact CD-CG 4.04Å; K498-E502 IonicContact NZ-OE1 2.75Å; K498-E502 PolarHBondContact NZ-OE1 2.91Å; K498-E502 IonicContact NZ-OE2 2.66Å; K498-E502 VanDerWaalsContact O-CG 3.27Å; K498-E502 WeakPolarHBondContact O-CG 3.3Å; K498-E502 PolarHBondContact O-N 3.33Å; F499-E502 PolarHBondContact O-N 3.36Å
503L96.3Very high96Very high15 Ų1543.6 Ų43.68%0.07925%0.249CC..  trans-110.4163.4-171.5-51.8-176.4000111.5T463 E465 L468 F499 F507 Y508 M511T463-L503 HydrophobicContact CG2-CD2 3.99Å; E465-L503 HydrophobicContact CG-CD2 4.44Å; L468-L503 HydrophobicContact CD1-CD1 4.09Å; L468-L503 HydrophobicContact CD1-CD2 4.02Å; L468-L503 HydrophobicContact CD1-CG 4.45Å; F499-L503 HydrophobicContact CB-CD1 4.21Å; F499-L503 HydrophobicContact CD1-CD1 4.13Å; F499-L503 HydrophobicContact CG-CD1 4.27Å; F499-L503 VanDerWaalsContact O-CB 3.32Å; F499-L503 WeakPolarHBondContact O-CB 3.41Å; F499-L503 PolarHBondContact O-N 3.45Å; L503-F507 HydrophobicContact CD1-CD1 4.12Å; L503-F507 HydrophobicContact CD1-CE1 3.81Å; L503-F507 HydrophobicContact CD1-CZ 4.42Å; L503-F507 HydrophobicContact CD2-CD1 4.08Å; L503-F507 HydrophobicContact CD2-CE1 3.72Å; L503-F507 HydrophobicContact CG-CD1 4.47Å; L503-F507 HydrophobicContact CG-CE1 4.32Å; L503-Y508 HydrophobicContact CB-CD2 4.32Å; L503-M511 HydrophobicContact CD1-CB 3.96Å; L503-M511 HydrophobicContact CD1-CE 4.47Å; L503-M511 HydrophobicContact CD1-CG 3.81Å
504S93.5Very high96.2Very high101 Ų10137.4 Ų37.471%0.70622%0.222SC*.  trans-148.7166176.967.80000113.4Y508S504-Y508 PolarHBondContact O-N 3.35Å
505G94.4Very high96.4Very high48 Ų4834.9 Ų34.950%0.49521%0.209SC..Hα-helixtrans58.9-155.6178.800000113.3F507 Y508 D509G505-F507 PolarHBondContact O-N 2.72Å; G505-F507 VanDerWaalsContact O-N 3.11Å; G505-Y508 WeakPolarHBondContact O-CA 3.27Å; G505-Y508 WeakPolarHBondContact O-CB 3.36Å; G505-Y508 PolarHBondContact O-N 2.92Å; G505-D509 PolarHBondContact O-N 2.85Å
506S94.2Very high96.4Very high30 Ų3035.5 Ų35.521%0.2121%0.211CC..Hα-helixtrans-64.4-18.7-175-560000114.8D509 C510 N709 I713S506-D509 WeakPolarHBondContact CA-OD2 3.27Å; S506-C510 WeakPolarHBondContact O-CB 3.13Å; S506-C510 PolarHBondContact O-N 2.74Å; S506-N709 WeakPolarHBondContact CB-ND2 3.29Å; S506-N709 WeakPolarHBondContact OG-CB 3.48Å; S506-N709 PolarHBondContact OG-ND2 3.34Å; S506-I713 VanDerWaalsContact O-CD1 3.27Å; S506-I713 WeakPolarHBondContact O-CD1 3.16Å
507F97.1Very high96.4Very high19 Ų1935.1 Ų35.18%0.08321%0.209CC..Hα-helixtrans-69.3-43.8169.6-179.1-126.1000111.2E465 I469 L503 G505 C510 M511 D750 L751 I754E465-F507 HydrophobicContact CB-CE1 3.89Å; E465-F507 HydrophobicContact CB-CZ 4.09Å; E465-F507 HydrophobicContact CG-CE1 3.73Å; E465-F507 HydrophobicContact CG-CZ 4.43Å; I469-F507 HydrophobicContact CD1-CE2 3.84Å; I469-F507 HydrophobicContact CD1-CZ 3.98Å; I469-F507 HydrophobicContact CG1-CE2 3.87Å; I469-F507 HydrophobicContact CG1-CZ 3.91Å; L503-F507 HydrophobicContact CD1-CD1 4.12Å; L503-F507 HydrophobicContact CD1-CE1 3.81Å; L503-F507 HydrophobicContact CD1-CZ 4.42Å; L503-F507 HydrophobicContact CD2-CD1 4.08Å; L503-F507 HydrophobicContact CD2-CE1 3.72Å; L503-F507 HydrophobicContact CG-CD1 4.47Å; L503-F507 HydrophobicContact CG-CE1 4.32Å; G505-F507 PolarHBondContact O-N 2.72Å; G505-F507 VanDerWaalsContact O-N 3.11Å; F507-C510 PolarHBondContact O-N 3.48Å; F507-M511 HydrophobicContact CD2-CG 4.1Å; F507-M511 HydrophobicContact CE1-CG 4.42Å; F507-M511 HydrophobicContact CE2-CG 3.72Å; F507-M511 HydrophobicContact CE2-SD 3.98Å; F507-M511 HydrophobicContact CZ-CG 3.9Å; F507-M511 HydrophobicContact CZ-SD 4.15Å; F507-M511 WeakPolarHBondContact O-CB 3.42Å; F507-M511 VanDerWaalsContact O-CG 3.23Å; F507-M511 WeakPolarHBondContact O-CG 3.28Å; F507-M511 PolarHBondContact O-N 3.36Å; F507-D750 HydrophobicContact CD1-CB 3.86Å; F507-D750 HydrophobicContact CD2-CB 3.83Å; F507-D750 HydrophobicContact CE1-CB 3.85Å; F507-D750 HydrophobicContact CE2-CB 3.84Å; F507-D750 HydrophobicContact CG-CB 3.85Å; F507-D750 HydrophobicContact CZ-CB 3.85Å; F507-L751 HydrophobicContact CB-CB 4.49Å; F507-I754 HydrophobicContact CD2-CG2 3.9Å; F507-I754 HydrophobicContact CE2-CB 4.13Å; F507-I754 HydrophobicContact CE2-CG2 3.98Å
508Y97.5Very high96.5Very high19 Ų1933 Ų338%0.07519%0.194CC..Hα-helixtrans-58.7-48.1169.2167.7-97.5000111.4F499 K500 L503 S504 G505 C510 M511 E512F499-Y508 HydrophobicContact CB-CD2 4.22Å; F499-Y508 HydrophobicContact CB-CE2 4.2Å; K500-Y508 HydrophobicContact CB-CD2 4.34Å; K500-Y508 HydrophobicContact CB-CE2 3.47Å; K500-Y508 VanDerWaalsContact CB-CE2 3.47Å; K500-Y508 WeakPolarHBondContact CD-OH 3.46Å; K500-Y508 HydrophobicContact CG-CE2 3.92Å; K500-Y508 VanDerWaalsContact N-CE2 3.32Å; L503-Y508 HydrophobicContact CB-CD2 4.32Å; S504-Y508 PolarHBondContact O-N 3.35Å; G505-Y508 WeakPolarHBondContact O-CA 3.27Å; G505-Y508 WeakPolarHBondContact O-CB 3.36Å; G505-Y508 PolarHBondContact O-N 2.92Å; Y508-C510 PolarHBondContact O-N 3.31Å; Y508-M511 PolarHBondContact O-N 3.4Å; Y508-E512 HydrophobicContact CE1-CB 4.18Å; Y508-E512 HydrophobicContact CE1-CG 4.43Å; Y508-E512 HydrophobicContact CE2-CB 4.15Å; Y508-E512 WeakPolarHBondContact O-CB 3.47Å; Y508-E512 PolarHBondContact O-N 3.29Å; Y508-E512 PolarHBondContact OH-OE1 2.98Å
509D96.6Very high96.5Very high66 Ų6631.6 Ų31.635%0.35319%0.188SC..Hα-helixtrans-57.4-38.4-178-56.3-33.9000111.8G505 S506 A513 I713G505-D509 PolarHBondContact O-N 2.85Å; S506-D509 WeakPolarHBondContact CA-OD2 3.27Å; D509-A513 VanDerWaalsContact O-CB 3.3Å; D509-A513 WeakPolarHBondContact O-CB 3.31Å; D509-A513 PolarHBondContact O-N 3.3Å; D509-I713 HydrophobicContact CB-CD1 4.21Å
510C98Very high96.5Very high0 Ų033.7 Ų33.70%020%0.198CC..Hα-helixtrans-70.1-43174.8-168.20000112.8S506 F507 Y508 A513 L514 I713 L751 I754S506-C510 WeakPolarHBondContact O-CB 3.13Å; S506-C510 PolarHBondContact O-N 2.74Å; F507-C510 PolarHBondContact O-N 3.48Å; Y508-C510 PolarHBondContact O-N 3.31Å; C510-A513 PolarHBondContact O-N 3.49Å; C510-L514 VanDerWaalsContact O-CG 3.3Å; C510-L514 WeakPolarHBondContact O-CG 3.42Å; C510-L514 PolarHBondContact O-N 2.92Å; C510-I713 HydrophobicContact CB-CD1 3.9Å; C510-I713 HydrophobicContact CB-CG1 4.03Å; C510-I713 HydrophobicContact CB-CG2 4.13Å; C510-L751 HydrophobicContact CB-CD1 4.27Å; C510-I754 HydrophobicContact CB-CG2 4.29Å
511M98.2Very high96.6Very high0 Ų027.2 Ų27.20%017%0.17CC..Hα-helixtrans-69.2-36.3-179.6-69.6-68.4-70.100112.1L468 M472 F499 L503 F507 Y508 L514 C515 I754L468-M511 HydrophobicContact CB-CE 3.68Å; L468-M511 HydrophobicContact CD1-CE 4.41Å; M472-M511 HydrophobicContact CB-CE 3.83Å; M472-M511 HydrophobicContact CB-SD 4Å; M472-M511 HydrophobicContact CG-CE 3.54Å; M472-M511 HydrophobicContact CG-SD 4.34Å; F499-M511 HydrophobicContact CD2-CB 4.14Å; F499-M511 HydrophobicContact CE1-CE 4.02Å; F499-M511 HydrophobicContact CE2-CB 4.41Å; F499-M511 HydrophobicContact CE2-CE 3.97Å; F499-M511 HydrophobicContact CZ-CE 3.67Å; L503-M511 HydrophobicContact CD1-CB 3.96Å; L503-M511 HydrophobicContact CD1-CE 4.47Å; L503-M511 HydrophobicContact CD1-CG 3.81Å; F507-M511 HydrophobicContact CD2-CG 4.1Å; F507-M511 HydrophobicContact CE1-CG 4.42Å; F507-M511 HydrophobicContact CE2-CG 3.72Å; F507-M511 HydrophobicContact CE2-SD 3.98Å; F507-M511 HydrophobicContact CZ-CG 3.9Å; F507-M511 HydrophobicContact CZ-SD 4.15Å; F507-M511 WeakPolarHBondContact O-CB 3.42Å; F507-M511 VanDerWaalsContact O-CG 3.23Å; F507-M511 WeakPolarHBondContact O-CG 3.28Å; F507-M511 PolarHBondContact O-N 3.36Å; Y508-M511 PolarHBondContact O-N 3.4Å; M511-L514 HydrophobicContact SD-CD1 4.44Å; M511-C515 PolarHBondContact O-N 2.95Å; M511-C515 PolarHBondContact O-SG 3.3Å; M511-I754 HydrophobicContact SD-CD1 4.37Å; M511-I754 HydrophobicContact SD-CG1 4.35Å
512E97.8Very high96.7Very high23 Ų2323.4 Ų23.411%0.10714%0.142CC..Hα-helixtrans-64.7-45.9171.1-174.5-172-13200110.9Y508 L514 C515 Y516 R528Y508-E512 HydrophobicContact CE1-CB 4.18Å; Y508-E512 HydrophobicContact CE1-CG 4.43Å; Y508-E512 HydrophobicContact CE2-CB 4.15Å; Y508-E512 WeakPolarHBondContact O-CB 3.47Å; Y508-E512 PolarHBondContact O-N 3.29Å; Y508-E512 PolarHBondContact OH-OE1 2.98Å; E512-L514 VanDerWaalsContact C-N 3.31Å; E512-L514 PolarHBondContact O-N 3.33Å; E512-C515 WeakPolarHBondContact O-CB 3.15Å; E512-C515 PolarHBondContact O-N 3.34Å; E512-C515 VanDerWaalsContact O-N 3.15Å; E512-Y516 HydrophobicContact CG-CE2 3.96Å; E512-Y516 WeakPolarHBondContact CG-OH 3.32Å; E512-Y516 WeakPolarHBondContact O-CD2 3.42Å; E512-Y516 VanDerWaalsContact O-CE2 3.29Å; E512-Y516 WeakPolarHBondContact O-CE2 3.24Å; E512-R528 IonicContact OE1-NH2 2.66Å; E512-R528 IonicContact OE2-CZ 3.35Å; E512-R528 IonicContact OE2-NH2 2.75Å; E512-R528 PolarHBondContact OE2-NH2 2.88Å
513A97.9Very high96.8Very high1 Ų120.7 Ų20.71%0.00813%0.13CC..Hα-helixtrans-57.5-41.5175.700000112.7D509 C510 C515 Y516 F521 I713 V717D509-A513 VanDerWaalsContact O-CB 3.3Å; D509-A513 WeakPolarHBondContact O-CB 3.31Å; D509-A513 PolarHBondContact O-N 3.3Å; C510-A513 PolarHBondContact O-N 3.49Å; A513-C515 PolarHBondContact O-N 3.48Å; A513-Y516 PolarHBondContact O-N 2.98Å; A513-F521 HydrophobicContact CB-CD2 3.91Å; A513-F521 HydrophobicContact CB-CE2 3.38Å; A513-F521 HydrophobicContact CB-CZ 4Å; A513-I713 HydrophobicContact CB-CG2 4.23Å; A513-V717 HydrophobicContact CB-CG1 4.28Å; A513-V717 HydrophobicContact CB-CG2 4.21Å
514L98.1Very high96.9Very high0 Ų022.9 Ų22.90%014%0.137CC..Hα-helixtrans-67.9-17.4179.1-72.3169.8000114.2M472 R480 C510 M511 E512 Y516 V717 I754 L758M472-L514 HydrophobicContact CB-CD1 4.3Å; M472-L514 HydrophobicContact CE-CB 3.92Å; R480-L514 WeakPolarHBondContact CD-O 3.43Å; R480-L514 PolarHBondContact NE-O 2.89Å; C510-L514 VanDerWaalsContact O-CG 3.3Å; C510-L514 WeakPolarHBondContact O-CG 3.42Å; C510-L514 PolarHBondContact O-N 2.92Å; M511-L514 HydrophobicContact SD-CD1 4.44Å; E512-L514 VanDerWaalsContact C-N 3.31Å; E512-L514 PolarHBondContact O-N 3.33Å; L514-Y516 VanDerWaalsContact C-N 3.32Å; L514-V717 HydrophobicContact CD2-CG1 4.28Å; L514-V717 HydrophobicContact CD2-CG2 4.15Å; L514-V717 HydrophobicContact CG-CG2 4.35Å; L514-I754 HydrophobicContact CD1-CD1 3.83Å; L514-I754 HydrophobicContact CD1-CG1 3.8Å; L514-L758 HydrophobicContact CD1-CD1 4.26Å; L514-L758 HydrophobicContact CD1-CD2 4.36Å; L514-L758 HydrophobicContact CD2-CD1 4.04Å; L514-L758 HydrophobicContact CD2-CD2 3.77Å
515C97.5Very high97Very high4 Ų418.3 Ų18.33%0.02710%0.104CC..THydrogen-bonded Turntrans-76.2-16.9176-74.90000114.1T484 T496 F499 M511 E512 A513T484-C515 HydrophobicContact CG2-CB 3.66Å; T496-C515 HydrophobicContact CG2-CB 3.5Å; F499-C515 VanDerWaalsContact CE2-SG 3.55Å; M511-C515 PolarHBondContact O-N 2.95Å; M511-C515 PolarHBondContact O-SG 3.3Å; E512-C515 WeakPolarHBondContact O-CB 3.15Å; E512-C515 PolarHBondContact O-N 3.34Å; E512-C515 VanDerWaalsContact O-N 3.15Å; A513-C515 PolarHBondContact O-N 3.48Å
516Y96.7Very high97.1Very high13 Ų1316 Ų165%0.0518%0.081CC..SBendtrans-91.1156.3-176.3-55.9-48.8000111.9S477 T496 E512 A513 L514 E520 F521 R524S477-Y516 PolarHBondContact OG-O 2.68Å; T496-Y516 HydrophobicContact CG2-CE1 4.13Å; E512-Y516 HydrophobicContact CG-CE2 3.96Å; E512-Y516 WeakPolarHBondContact CG-OH 3.32Å; E512-Y516 WeakPolarHBondContact O-CD2 3.42Å; E512-Y516 VanDerWaalsContact O-CE2 3.29Å; E512-Y516 WeakPolarHBondContact O-CE2 3.24Å; A513-Y516 PolarHBondContact O-N 2.98Å; L514-Y516 VanDerWaalsContact C-N 3.32Å; Y516-E520 VanDerWaalsContact CD1-CD 3.49Å; Y516-E520 HydrophobicContact CD1-CG 4.02Å; Y516-E520 WeakPolarHBondContact CD1-OE1 3.25Å; Y516-E520 HydrophobicContact CG-CG 4.15Å; Y516-F521 HydrophobicContact CD2-CD2 4.29Å; Y516-R524 VanDerWaalsContact CE1-NE 3.25Å; Y516-R524 VanDerWaalsContact CZ-CD 3.42Å
517S96.6Very high97.2Very high14 Ų1416.5 Ų16.510%0.0988%0.078CC..  trans-70.2162.5163.176.40000110.4H424 V519 E520 F521H424-S517 VanDerWaalsContact NE2-CB 3.29Å; H424-S517 WeakPolarHBondContact NE2-CB 3.34Å; H424-S517 PolarHBondContact NE2-OG 2.97Å; S517-V519 VanDerWaalsContact C-N 3.32Å; S517-V519 PolarHBondContact O-N 3.43Å; S517-E520 PolarHBondContact O-N 2.56Å; S517-E520 WeakPolarHBondContact OG-CB 3.29Å; S517-E520 PolarHBondContact OG-N 3.01Å; S517-F521 WeakPolarHBondContact O-CB 3.14Å; S517-F521 PolarHBondContact O-N 2.96Å
518P95.7Very high97.1Very high27 Ų2719 Ų1918%0.1759%0.087CC..Hα-helixtrans-60.7-41.1-175.3-23.535.9000112.6Y427 S477 F521 D522Y427-P518 HydrophobicContact CD1-CB 3.75Å; Y427-P518 HydrophobicContact CE1-CB 3.77Å; S477-P518 WeakPolarHBondContact OG-CD 3.43Å; P518-F521 PolarHBondContact O-N 3.44Å; P518-D522 PolarHBondContact O-N 3.01Å
519V96.6Very high96.8Very high4 Ų418.2 Ų18.22%0.0249%0.085CC..Hα-helixtrans-70.2-35.9177.766.40000112.9Y427 S517 A523 Q554 I555 T558Y427-V519 HydrophobicContact CD2-CB 4Å; Y427-V519 HydrophobicContact CD2-CG2 4.32Å; Y427-V519 HydrophobicContact CE1-CB 4.44Å; Y427-V519 HydrophobicContact CE2-CB 3.63Å; Y427-V519 HydrophobicContact CE2-CG2 3.71Å; S517-V519 VanDerWaalsContact C-N 3.32Å; S517-V519 PolarHBondContact O-N 3.43Å; V519-A523 WeakPolarHBondContact O-CB 3.42Å; V519-A523 PolarHBondContact O-N 3.27Å; V519-Q554 VanDerWaalsContact CG2-C 3.4Å; V519-Q554 HydrophobicContact CG2-CB 3.87Å; V519-Q554 WeakPolarHBondContact CG2-O 3.31Å; V519-I555 HydrophobicContact CG2-CB 4.46Å; V519-I555 HydrophobicContact CG2-CG1 3.97Å; V519-T558 HydrophobicContact CG1-CG2 4.34Å; V519-T558 HydrophobicContact CG2-CG2 4.41Å; V519-T558 WeakPolarHBondContact CG2-OG1 3.35Å
520E97.5Very high96.6Very high44 Ų4415.5 Ų15.521%0.2067%0.07CC..Hα-helixtrans-69.1-38.3174178.9176.3-174.300110.9Y516 S517 A523 R524 T558 I562Y516-E520 VanDerWaalsContact CD1-CD 3.49Å; Y516-E520 HydrophobicContact CD1-CG 4.02Å; Y516-E520 WeakPolarHBondContact CD1-OE1 3.25Å; Y516-E520 HydrophobicContact CG-CG 4.15Å; S517-E520 PolarHBondContact O-N 2.56Å; S517-E520 WeakPolarHBondContact OG-CB 3.29Å; S517-E520 PolarHBondContact OG-N 3.01Å; E520-A523 PolarHBondContact O-N 3.01Å; E520-R524 HydrophobicContact CG-CG 4.36Å; E520-R524 WeakPolarHBondContact O-CB 3.28Å; E520-R524 VanDerWaalsContact O-CG 3.22Å; E520-R524 WeakPolarHBondContact O-CG 3.27Å; E520-R524 PolarHBondContact O-N 3.29Å; E520-R524 IonicContact OE1-CZ 3.86Å; E520-R524 IonicContact OE1-NE 3.66Å; E520-R524 PolarHBondContact OE1-NE 2.89Å; E520-R524 IonicContact OE1-NH2 3.94Å; E520-R524 PolarHBondContact OE1-NH2 2.89Å; E520-T558 HydrophobicContact CB-CG2 4.2Å; E520-I562 HydrophobicContact CG-CD1 4.15Å; E520-I562 HydrophobicContact CG-CG2 4.38Å
521F97.7Very high96Very high4 Ų422.8 Ų22.82%0.01810%0.101CC..Hα-helixtrans-61.9-48.4175.7-178.2-120.7000111.6A513 Y516 S517 P518 A523 R524 E525 R714 V717A513-F521 HydrophobicContact CB-CD2 3.91Å; A513-F521 HydrophobicContact CB-CE2 3.38Å; A513-F521 HydrophobicContact CB-CZ 4Å; Y516-F521 HydrophobicContact CD2-CD2 4.29Å; S517-F521 WeakPolarHBondContact O-CB 3.14Å; S517-F521 PolarHBondContact O-N 2.96Å; P518-F521 PolarHBondContact O-N 3.44Å; F521-A523 PolarHBondContact O-N 2.67Å; F521-R524 PolarHBondContact O-N 3.38Å; F521-E525 HydrophobicContact CD2-CG 4.38Å; F521-E525 HydrophobicContact CE1-CG 4.38Å; F521-E525 HydrophobicContact CE2-CG 3.81Å; F521-E525 HydrophobicContact CZ-CG 3.82Å; F521-E525 PolarHBondContact O-N 3.45Å; F521-R714 HydrophobicContact CE1-CG 4.26Å; F521-R714 HydrophobicContact CZ-CB 4.41Å; F521-R714 HydrophobicContact CZ-CG 4.36Å; F521-V717 HydrophobicContact CD1-CG1 4.13Å; F521-V717 HydrophobicContact CE1-CB 4.11Å; F521-V717 HydrophobicContact CE1-CG1 3.99Å; F521-V717 HydrophobicContact CZ-CB 4.33Å; F521-V717 HydrophobicContact CZ-CG1 4.31Å
522D97.6Very high94.9Very high2 Ų226 Ų261%0.01114%0.135CC..Hα-helixtrans-60.6-45.8176.1-74-34.8000111.9Y427 P518 R524 E525 L526 I543 R547 I555Y427-D522 PolarHBondContact OH-OD2 3.19Å; P518-D522 PolarHBondContact O-N 3.01Å; D522-R524 VanDerWaalsContact C-N 3.3Å; D522-R524 PolarHBondContact O-N 3.14Å; D522-E525 PolarHBondContact O-N 2.73Å; D522-L526 WeakPolarHBondContact O-CB 3.1Å; D522-L526 WeakPolarHBondContact O-CG 3.48Å; D522-L526 PolarHBondContact O-N 2.66Å; D522-I543 HydrophobicContact CB-CG2 4.3Å; D522-R547 IonicContact OD1-CZ 2.73Å; D522-R547 IonicContact OD1-NE 3.98Å; D522-R547 PolarHBondContact OD1-NE 3.29Å; D522-R547 IonicContact OD1-NH2 2.69Å; D522-R547 PolarHBondContact OD1-NH2 3.4Å; D522-R547 IonicContact OD2-CZ 2.68Å; D522-R547 IonicContact OD2-NE 3.31Å; D522-R547 PolarHBondContact OD2-NE 3.1Å; D522-R547 IonicContact OD2-NH2 2.66Å; D522-R547 PolarHBondContact OD2-NH2 2.68Å; D522-I555 HydrophobicContact CB-CD1 3.85Å; D522-I555 HydrophobicContact CB-CG1 4Å
523A97.8Very high93.1Very high0 Ų029.7 Ų29.70%017%0.169CC..Hα-helixtrans-61-36.9176.200000112.6V519 E520 F521 R527 I555 T558 Y559 I562V519-A523 WeakPolarHBondContact O-CB 3.42Å; V519-A523 PolarHBondContact O-N 3.27Å; E520-A523 PolarHBondContact O-N 3.01Å; F521-A523 PolarHBondContact O-N 2.67Å; A523-R527 PolarHBondContact O-N 2.69Å; A523-I555 HydrophobicContact CB-CG2 4.39Å; A523-T558 HydrophobicContact CB-CG2 4.36Å; A523-Y559 HydrophobicContact CB-CD2 4.12Å; A523-Y559 WeakPolarHBondContact O-CD2 3.3Å; A523-Y559 WeakPolarHBondContact O-CE2 3.45Å; A523-I562 HydrophobicContact CB-CD1 3.8Å
524R97.3Very high91.5Very high61 Ų6132.3 Ų32.323%0.2320%0.196CC..Hα-helixtrans-71.9-39.9175.6-73.8174.5179.7-81.4-2.5112.5Y516 E520 F521 D522 R527 R528 I562 F563Y516-R524 VanDerWaalsContact CE1-NE 3.25Å; Y516-R524 VanDerWaalsContact CZ-CD 3.42Å; E520-R524 HydrophobicContact CG-CG 4.36Å; E520-R524 WeakPolarHBondContact O-CB 3.28Å; E520-R524 VanDerWaalsContact O-CG 3.22Å; E520-R524 WeakPolarHBondContact O-CG 3.27Å; E520-R524 PolarHBondContact O-N 3.29Å; E520-R524 IonicContact OE1-CZ 3.86Å; E520-R524 IonicContact OE1-NE 3.66Å; E520-R524 PolarHBondContact OE1-NE 2.89Å; E520-R524 IonicContact OE1-NH2 3.94Å; E520-R524 PolarHBondContact OE1-NH2 2.89Å; F521-R524 PolarHBondContact O-N 3.38Å; D522-R524 VanDerWaalsContact C-N 3.3Å; D522-R524 PolarHBondContact O-N 3.14Å; R524-R527 PolarHBondContact O-N 2.87Å; R524-R528 WeakPolarHBondContact O-CB 3.27Å; R524-R528 WeakPolarHBondContact O-CD 3.4Å; R524-R528 WeakPolarHBondContact O-CG 3.38Å; R524-R528 PolarHBondContact O-N 3.38Å; R524-I562 HydrophobicContact CG-CD1 3.76Å; R524-F563 HydrophobicContact CG-CZ 4.13Å
525E97.1Very high90.5Very high5 Ų533.7 Ų33.72%0.02321%0.205CC..Hα-helixtrans-67.7-37.8175.7-80.2-56.412500112.2F521 D522 R528 S529 I543 R710 R714F521-E525 HydrophobicContact CD2-CG 4.38Å; F521-E525 HydrophobicContact CE1-CG 4.38Å; F521-E525 HydrophobicContact CE2-CG 3.81Å; F521-E525 HydrophobicContact CZ-CG 3.82Å; F521-E525 PolarHBondContact O-N 3.45Å; D522-E525 PolarHBondContact O-N 2.73Å; E525-R528 CarbonylContact O-C 3.59Å; E525-R528 PolarHBondContact O-N 2.71Å; E525-R528 WeakPolarHBondContact OE1-CD 3.18Å; E525-R528 IonicContact OE1-CZ 2.85Å; E525-R528 IonicContact OE1-NE 2.74Å; E525-R528 IonicContact OE1-NH1 3.71Å; E525-R528 PolarHBondContact OE1-NH1 3.07Å; E525-S529 PolarHBondContact O-N 3.1Å; E525-S529 PolarHBondContact O-OG 2.62Å; E525-I543 HydrophobicContact CB-CD1 3.71Å; E525-R710 IonicContact OE2-CZ 3.15Å; E525-R710 IonicContact OE2-NE 3.06Å; E525-R710 PolarHBondContact OE2-NE 3.19Å; E525-R710 IonicContact OE2-NH2 3.74Å; E525-R710 PolarHBondContact OE2-NH2 3.3Å; E525-R714 HydrophobicContact CG-CG 4.23Å
526L96.8Very high89.8Confident0 Ų035.4 Ų35.40%021%0.214CC..Hα-helixtrans-61.7-42.8169.5-71.1169000111.9D522 R528 S529 M530 L540 I543 L544 I555 Y559 L568D522-L526 WeakPolarHBondContact O-CB 3.1Å; D522-L526 WeakPolarHBondContact O-CG 3.48Å; D522-L526 PolarHBondContact O-N 2.66Å; L526-R528 VanDerWaalsContact C-N 3.28Å; L526-R528 PolarHBondContact O-N 2.77Å; L526-S529 PolarHBondContact O-N 2.99Å; L526-S529 PolarHBondContact O-OG 2.66Å; L526-M530 VanDerWaalsContact O-CE 3.27Å; L526-M530 WeakPolarHBondContact O-CE 3.39Å; L526-M530 PolarHBondContact O-N 2.65Å; L526-L540 HydrophobicContact CD2-CD1 3.51Å; L526-I543 HydrophobicContact CD1-CG2 4.01Å; L526-I543 HydrophobicContact CD2-CB 4.07Å; L526-I543 HydrophobicContact CD2-CD1 4.08Å; L526-I543 HydrophobicContact CD2-CG2 4.09Å; L526-I543 HydrophobicContact CG-CB 4.44Å; L526-I543 HydrophobicContact CG-CD1 3.93Å; L526-I543 HydrophobicContact CG-CG2 4.05Å; L526-L544 HydrophobicContact CD2-CG 4.45Å; L526-I555 HydrophobicContact CD1-CG2 3.51Å; L526-Y559 HydrophobicContact CB-CE2 4.48Å; L526-L568 HydrophobicContact CB-CD1 4.09Å; L526-L568 HydrophobicContact CD1-CD1 4.16Å; L526-L568 HydrophobicContact CD1-CD2 3.9Å
527R96.3Very high89Confident40 Ų4036.7 Ų36.715%0.15122%0.22CC..Hα-helixtrans-62.7-39.5173.9-177.565.4-162.4102.8-24.8111.2A523 R524 M530 K531 Y559 F563A523-R527 PolarHBondContact O-N 2.69Å; R524-R527 PolarHBondContact O-N 2.87Å; R527-M530 VanDerWaalsContact NH1-C 3.29Å; R527-M530 PolarHBondContact NH1-O 2.8Å; R527-M530 CarbonylContact O-C 3.51Å; R527-M530 PolarHBondContact O-N 2.94Å; R527-K531 WeakPolarHBondContact O-CB 3.47Å; R527-K531 PolarHBondContact O-N 2.71Å; R527-Y559 HydrophobicContact CB-CE2 3.73Å; R527-Y559 WeakPolarHBondContact CD-OH 3.21Å; R527-F563 HydrophobicContact CB-CD2 4.07Å; R527-F563 HydrophobicContact CB-CE1 4.43Å; R527-F563 HydrophobicContact CB-CE2 3.32Å; R527-F563 HydrophobicContact CB-CZ 3.53Å; R527-F563 HydrophobicContact CG-CD1 4.45Å; R527-F563 HydrophobicContact CG-CD2 4.13Å; R527-F563 HydrophobicContact CG-CE1 4.02Å; R527-F563 HydrophobicContact CG-CE2 3.69Å; R527-F563 HydrophobicContact CG-CZ 3.62Å
528R94.2Very high88.2Confident72 Ų7239 Ų3927%0.27223%0.231SC..Hα-helixtrans-71.2-31.8-179.9-72.1162.8174.9-162.1-6.2112.7E512 R524 E525 L526 M530 K531E512-R528 IonicContact OE1-NH2 2.66Å; E512-R528 IonicContact OE2-CZ 3.35Å; E512-R528 IonicContact OE2-NH2 2.75Å; E512-R528 PolarHBondContact OE2-NH2 2.88Å; R524-R528 WeakPolarHBondContact O-CB 3.27Å; R524-R528 WeakPolarHBondContact O-CD 3.4Å; R524-R528 WeakPolarHBondContact O-CG 3.38Å; R524-R528 PolarHBondContact O-N 3.38Å; E525-R528 CarbonylContact O-C 3.59Å; E525-R528 PolarHBondContact O-N 2.71Å; E525-R528 WeakPolarHBondContact OE1-CD 3.18Å; E525-R528 IonicContact OE1-CZ 2.85Å; E525-R528 IonicContact OE1-NE 2.74Å; E525-R528 IonicContact OE1-NH1 3.71Å; E525-R528 PolarHBondContact OE1-NH1 3.07Å; L526-R528 VanDerWaalsContact C-N 3.28Å; L526-R528 PolarHBondContact O-N 2.77Å; R528-M530 VanDerWaalsContact C-N 3.31Å; R528-K531 PolarHBondContact O-N 2.62Å
529S91.5Very high87.9Confident3 Ų337.7 Ų37.72%0.02122%0.223CC..Hα-helixtrans-67.5-34174.559.70000111.8E525 L526 T535 D536E525-S529 PolarHBondContact O-N 3.1Å; E525-S529 PolarHBondContact O-OG 2.62Å; L526-S529 PolarHBondContact O-N 2.99Å; L526-S529 PolarHBondContact O-OG 2.66Å; S529-T535 CarbonylContact O-C 3.29Å; S529-T535 WeakPolarHBondContact O-CA 3.45Å; S529-D536 WeakPolarHBondContact CB-O 3.45Å; S529-D536 PolarHBondContact O-N 2.93Å
530M91.5Very high87.6Confident8 Ų837.5 Ų37.54%0.03922%0.222CC..THydrogen-bonded Turntrans-96.925.7175.8-53.5176.7-71.400113.6L526 R527 R528 T535 Y559 L568 D571 V572 D575L526-M530 VanDerWaalsContact O-CE 3.27Å; L526-M530 WeakPolarHBondContact O-CE 3.39Å; L526-M530 PolarHBondContact O-N 2.65Å; R527-M530 VanDerWaalsContact NH1-C 3.29Å; R527-M530 PolarHBondContact NH1-O 2.8Å; R527-M530 CarbonylContact O-C 3.51Å; R527-M530 PolarHBondContact O-N 2.94Å; R528-M530 VanDerWaalsContact C-N 3.31Å; M530-T535 HydrophobicContact CG-CG2 4.36Å; M530-Y559 HydrophobicContact CE-CE2 4.48Å; M530-L568 HydrophobicContact CE-CD1 3.71Å; M530-D571 HydrophobicContact CE-CB 3.87Å; M530-D571 HydrophobicContact SD-CB 4.14Å; M530-V572 HydrophobicContact CE-CG2 4.03Å; M530-V572 VanDerWaalsContact SD-CA 3.6Å; M530-V572 HydrophobicContact SD-CB 4.13Å; M530-V572 HydrophobicContact SD-CG2 3.38Å; M530-V572 WeakPolarHBondContact SD-CG2 3.39Å; M530-D575 VanDerWaalsContact CA-OD2 3.25Å; M530-D575 WeakPolarHBondContact CA-OD2 3.49Å; M530-D575 HydrophobicContact CB-CB 4.18Å; M530-D575 WeakPolarHBondContact CB-OD2 3.36Å; M530-D575 HydrophobicContact CG-CB 4.17Å; M530-D575 HydrophobicContact SD-CB 4.39Å
531K86.2Confident86.9Confident153 Ų15335.5 Ų35.567%0.66521%0.212SC*.SBendtrans-124.191.2-177.4-169.8-178177.2-176.30111.9R527 R528R527-K531 WeakPolarHBondContact O-CB 3.47Å; R527-K531 PolarHBondContact O-N 2.71Å; R528-K531 PolarHBondContact O-N 2.62Å
532G74.5Confident86.5Confident68 Ų6835.3 Ų35.370%0.70121%0.212SC*.SBendtrans164.9-149.2170.300000112
533A59.7Low86.3Confident100 Ų10035.2 Ų35.283%0.82621%0.211SC*.SBendtrans-98.8117.3159.900000107
534G64.5Low85.9Confident57 Ų5735.5 Ų35.559%0.58821%0.212SC*.SBendtrans82.2164.2-16900000113.3
535T76.4Confident85.3Confident28 Ų2832.7 Ų32.717%0.17220%0.202CC..  trans-104.6157.4-178.3-45.80000109.4S529 M530 E537 L540 D575S529-T535 CarbonylContact O-C 3.29Å; S529-T535 WeakPolarHBondContact O-CA 3.45Å; M530-T535 HydrophobicContact CG-CG2 4.36Å; T535-E537 WeakPolarHBondContact CB-OE1 3.42Å; T535-E537 HydrophobicContact CG2-CG 4.23Å; T535-L540 HydrophobicContact CG2-CD2 4.25Å; T535-D575 WeakPolarHBondContact CB-OD2 3.43Å; T535-D575 VanDerWaalsContact CG2-OD2 3.3Å; T535-D575 WeakPolarHBondContact CG2-OD2 3.37Å; T535-D575 PolarHBondContact OG1-O 2.67Å; T535-D575 PolarHBondContact OG1-OD2 2.79Å
536D83.2Confident84.8Confident40 Ų4032.6 Ų32.621%0.21420%0.202CC..  trans-99.778.5164.5-174.5-19.2000107S529 D538 A539 L540 R710S529-D536 WeakPolarHBondContact CB-O 3.45Å; S529-D536 PolarHBondContact O-N 2.93Å; D536-D538 PolarHBondContact O-N 3.45Å; D536-A539 HydrophobicContact CB-CB 4.17Å; D536-A539 VanDerWaalsContact CG-CB 3.43Å; D536-A539 PolarHBondContact O-N 3.44Å; D536-A539 VanDerWaalsContact OD1-CB 3.24Å; D536-A539 WeakPolarHBondContact OD1-CB 3.36Å; D536-A539 PolarHBondContact OD1-N 2.72Å; D536-L540 PolarHBondContact O-N 3.14Å; D536-R710 IonicContact OD2-CZ 2.68Å; D536-R710 VanDerWaalsContact OD2-CZ 3.31Å; D536-R710 IonicContact OD2-NE 2.65Å; D536-R710 IonicContact OD2-NH1 3.25Å; D536-R710 PolarHBondContact OD2-NH1 3.43Å; D536-R710 IonicContact OD2-NH2 2.74Å
537E79.7Confident84.4Confident40 Ų4033.5 Ų33.519%0.18721%0.206CC..Hα-helixtrans-64-35.6-172.6-53.480.9-172.500110.5T535 A539 L540 I541 F580 F675T535-E537 WeakPolarHBondContact CB-OE1 3.42Å; T535-E537 HydrophobicContact CG2-CG 4.23Å; E537-A539 PolarHBondContact O-N 3.41Å; E537-L540 PolarHBondContact O-N 3.04Å; E537-I541 HydrophobicContact CB-CD1 4.4Å; E537-I541 WeakPolarHBondContact O-CB 3.4Å; E537-I541 VanDerWaalsContact O-CD1 3.29Å; E537-I541 WeakPolarHBondContact O-CD1 3.44Å; E537-I541 WeakPolarHBondContact O-CG1 3.18Å; E537-I541 PolarHBondContact O-N 2.76Å; E537-F580 HydrophobicContact CB-CE1 3.93Å; E537-F580 HydrophobicContact CB-CZ 3.72Å; E537-F580 HydrophobicContact CG-CE1 3.66Å; E537-F580 HydrophobicContact CG-CZ 4.01Å; E537-F675 HydrophobicContact CB-CD1 4.2Å; E537-F675 HydrophobicContact CB-CE1 4.23Å; E537-F675 HydrophobicContact CG-CD1 3.91Å; E537-F675 HydrophobicContact CG-CD2 4.2Å; E537-F675 HydrophobicContact CG-CE1 3.6Å; E537-F675 HydrophobicContact CG-CE2 3.87Å; E537-F675 HydrophobicContact CG-CG 4.21Å; E537-F675 HydrophobicContact CG-CZ 3.59Å; E537-F675 WeakPolarHBondContact OE1-CZ 3.44Å; E537-F675 WeakPolarHBondContact OE2-CE1 3.32Å
538D81.4Confident84.1Confident63 Ų6332.4 Ų32.434%0.33720%0.203SC..Hα-helixtrans-59-43.8175.7-109.724.8000111.6D536 E542 S678 K697D536-D538 PolarHBondContact O-N 3.45Å; D538-E542 WeakPolarHBondContact O-CB 3.34Å; D538-E542 PolarHBondContact O-N 3.21Å; D538-S678 PolarHBondContact OD1-OG 2.86Å; D538-K697 IonicContact OD1-NZ 3.23Å; D538-K697 IonicContact OD2-NZ 3.42Å; D538-K697 PolarHBondContact OD2-NZ 2.99Å
539A88.6Confident84Confident0 Ų030.5 Ų30.50%020%0.198CC..Hα-helixtrans-71.5-39.6174.100000113.1D536 E537 E542 I543D536-A539 HydrophobicContact CB-CB 4.17Å; D536-A539 VanDerWaalsContact CG-CB 3.43Å; D536-A539 PolarHBondContact O-N 3.44Å; D536-A539 VanDerWaalsContact OD1-CB 3.24Å; D536-A539 WeakPolarHBondContact OD1-CB 3.36Å; D536-A539 PolarHBondContact OD1-N 2.72Å; E537-A539 PolarHBondContact O-N 3.41Å; A539-E542 PolarHBondContact O-N 2.87Å; A539-I543 WeakPolarHBondContact O-CG1 3.31Å; A539-I543 PolarHBondContact O-N 3.3Å; A539-I543 VanDerWaalsContact O-N 3.15Å
540L89.3Confident84Confident0 Ų032.2 Ų32.20%021%0.213CC..Hα-helixtrans-59.4-49.1176.8178.257.3000110.8L526 T535 D536 E537 L544 V572 T576 F580L526-L540 HydrophobicContact CD2-CD1 3.51Å; T535-L540 HydrophobicContact CG2-CD2 4.25Å; D536-L540 PolarHBondContact O-N 3.14Å; E537-L540 PolarHBondContact O-N 3.04Å; L540-L544 HydrophobicContact CD1-CD1 3.68Å; L540-L544 HydrophobicContact CD1-CG 4.18Å; L540-L544 HydrophobicContact CG-CD1 4.1Å; L540-L544 WeakPolarHBondContact O-CB 3.39Å; L540-L544 VanDerWaalsContact O-CG 3.25Å; L540-L544 WeakPolarHBondContact O-CG 3.45Å; L540-L544 PolarHBondContact O-N 3.5Å; L540-V572 HydrophobicContact CD1-CG2 4.07Å; L540-T576 HydrophobicContact CD2-CG2 3.91Å; L540-F580 HydrophobicContact CD2-CE1 4.17Å; L540-F580 HydrophobicContact CD2-CZ 3.98Å
541I84.4Confident84.1Confident1 Ų132 Ų321%0.00521%0.212CC..Hα-helixtrans-66.6-45.9177.4-63.4158.5000111.2E537 I543 L544 C545 F580 Y679 I682E537-I541 HydrophobicContact CB-CD1 4.4Å; E537-I541 WeakPolarHBondContact O-CB 3.4Å; E537-I541 VanDerWaalsContact O-CD1 3.29Å; E537-I541 WeakPolarHBondContact O-CD1 3.44Å; E537-I541 WeakPolarHBondContact O-CG1 3.18Å; E537-I541 PolarHBondContact O-N 2.76Å; I541-I543 VanDerWaalsContact C-N 3.27Å; I541-I543 PolarHBondContact O-N 2.93Å; I541-L544 PolarHBondContact O-N 3.44Å; I541-C545 HydrophobicContact CG2-CB 4.44Å; I541-C545 VanDerWaalsContact CG2-SG 3.59Å; I541-C545 VanDerWaalsContact O-CB 3.26Å; I541-C545 WeakPolarHBondContact O-CB 3.47Å; I541-C545 PolarHBondContact O-N 3.37Å; I541-C545 PolarHBondContact O-SG 2.86Å; I541-F580 HydrophobicContact CD1-CE2 3.63Å; I541-F580 HydrophobicContact CD1-CZ 4.07Å; I541-F580 HydrophobicContact CG1-CE2 3.53Å; I541-F580 HydrophobicContact CG1-CZ 3.93Å; I541-Y679 HydrophobicContact CG2-CD2 4.06Å; I541-I682 HydrophobicContact CB-CD1 3.82Å; I541-I682 HydrophobicContact CD1-CD1 4.25Å; I541-I682 HydrophobicContact CG2-CB 3.66Å; I541-I682 HydrophobicContact CG2-CD1 3.55Å; I541-I682 HydrophobicContact CG2-CG1 4.19Å; I541-I682 HydrophobicContact CG2-CG2 3.58Å
542E88.8Confident84.5Confident1 Ų125 Ų251%0.00518%0.181CC..Hα-helixtrans-52.3-47-179.6179.4-171.6117.300111D538 A539 S546 Y693 F694 R714D538-E542 WeakPolarHBondContact O-CB 3.34Å; D538-E542 PolarHBondContact O-N 3.21Å; A539-E542 PolarHBondContact O-N 2.87Å; E542-S546 VanDerWaalsContact O-CB 3.23Å; E542-S546 WeakPolarHBondContact O-CB 2.96Å; E542-S546 PolarHBondContact O-N 2.97Å; E542-S546 PolarHBondContact O-OG 2.78Å; E542-Y693 HydrophobicContact CG-CE1 4.14Å; E542-F694 HydrophobicContact CG-CE1 4.14Å; E542-R714 IonicContact OE1-CZ 2.75Å; E542-R714 IonicContact OE1-NE 3.87Å; E542-R714 PolarHBondContact OE1-NE 3.2Å; E542-R714 IonicContact OE1-NH2 3.47Å; E542-R714 IonicContact OE2-CZ 2.68Å; E542-R714 IonicContact OE2-NE 3.77Å; E542-R714 IonicContact OE2-NH2 2.69Å; E542-R714 PolarHBondContact OE2-NH2 3.16Å
543I92.3Very high85.5Confident0 Ų028 Ų280%018%0.176CC..Hα-helixtrans-69.3-55.3177.6-61.9169.3000110.1D522 E525 L526 A539 I541 C545 S546 R547 I555D522-I543 HydrophobicContact CB-CG2 4.3Å; E525-I543 HydrophobicContact CB-CD1 3.71Å; L526-I543 HydrophobicContact CD1-CG2 4.01Å; L526-I543 HydrophobicContact CD2-CB 4.07Å; L526-I543 HydrophobicContact CD2-CD1 4.08Å; L526-I543 HydrophobicContact CD2-CG2 4.09Å; L526-I543 HydrophobicContact CG-CB 4.44Å; L526-I543 HydrophobicContact CG-CD1 3.93Å; L526-I543 HydrophobicContact CG-CG2 4.05Å; A539-I543 WeakPolarHBondContact O-CG1 3.31Å; A539-I543 PolarHBondContact O-N 3.3Å; A539-I543 VanDerWaalsContact O-N 3.15Å; I541-I543 VanDerWaalsContact C-N 3.27Å; I541-I543 PolarHBondContact O-N 2.93Å; I543-C545 VanDerWaalsContact C-N 3.27Å; I543-C545 PolarHBondContact O-N 3.23Å; I543-S546 PolarHBondContact O-N 3.41Å; I543-R547 HydrophobicContact CG2-CG 4.12Å; I543-R547 VanDerWaalsContact O-CG 3.23Å; I543-R547 WeakPolarHBondContact O-CG 3.35Å; I543-R547 PolarHBondContact O-N 3.35Å; I543-I555 HydrophobicContact CG2-CD1 4.3Å
544L90.4Very high87.2Confident5 Ų525.1 Ų25.13%0.02615%0.145CC..Hα-helixtrans-63-27.4-174.4-66.3179.9000114.4L526 L540 I541 I552 C584 L587 L588L526-L544 HydrophobicContact CD2-CG 4.45Å; L540-L544 HydrophobicContact CD1-CD1 3.68Å; L540-L544 HydrophobicContact CD1-CG 4.18Å; L540-L544 HydrophobicContact CG-CD1 4.1Å; L540-L544 WeakPolarHBondContact O-CB 3.39Å; L540-L544 VanDerWaalsContact O-CG 3.25Å; L540-L544 WeakPolarHBondContact O-CG 3.45Å; L540-L544 PolarHBondContact O-N 3.5Å; I541-L544 PolarHBondContact O-N 3.44Å; L544-I552 HydrophobicContact CD2-CD1 3.79Å; L544-C584 HydrophobicContact CD1-CB 3.88Å; L544-L587 HydrophobicContact CB-CB 4.2Å; L544-L587 HydrophobicContact CB-CD1 3.83Å; L544-L588 HydrophobicContact CD1-CG 4.43Å; L544-L588 HydrophobicContact CD2-CD2 3.53Å; L544-L588 HydrophobicContact CD2-CG 3.89Å
545C84.7Confident88.8Confident3 Ų322.4 Ų22.42%0.0212%0.117CC..Hα-helixtrans-92.1-19.7179.4-66.10000114.5I541 I543 I682 L683I541-C545 HydrophobicContact CG2-CB 4.44Å; I541-C545 VanDerWaalsContact CG2-SG 3.59Å; I541-C545 VanDerWaalsContact O-CB 3.26Å; I541-C545 WeakPolarHBondContact O-CB 3.47Å; I541-C545 PolarHBondContact O-N 3.37Å; I541-C545 PolarHBondContact O-SG 2.86Å; I543-C545 VanDerWaalsContact C-N 3.27Å; I543-C545 PolarHBondContact O-N 3.23Å; C545-I682 HydrophobicContact CB-CG2 4.19Å; C545-L683 HydrophobicContact CB-CD1 4.09Å
546S86.2Confident89.8Confident2 Ų223.2 Ų23.21%0.01412%0.118CC..Hα-helixtrans-100.1-12.9-177.366.20000114.1E542 I543 K690E542-S546 VanDerWaalsContact O-CB 3.23Å; E542-S546 WeakPolarHBondContact O-CB 2.96Å; E542-S546 PolarHBondContact O-N 2.97Å; E542-S546 PolarHBondContact O-OG 2.78Å; I543-S546 PolarHBondContact O-N 3.41Å; S546-K690 PolarHBondContact O-NZ 3.27Å
547R89.5Confident90.4Very high20 Ų2025.6 Ų25.68%0.07513%0.128CC..SBendtrans-91.9150178.1-61.2-65.4175.8-79.6-9.9112.5D522 I543 Q551 I552 I555D522-R547 IonicContact OD1-CZ 2.73Å; D522-R547 IonicContact OD1-NE 3.98Å; D522-R547 PolarHBondContact OD1-NE 3.29Å; D522-R547 IonicContact OD1-NH2 2.69Å; D522-R547 PolarHBondContact OD1-NH2 3.4Å; D522-R547 IonicContact OD2-CZ 2.68Å; D522-R547 IonicContact OD2-NE 3.31Å; D522-R547 PolarHBondContact OD2-NE 3.1Å; D522-R547 IonicContact OD2-NH2 2.66Å; D522-R547 PolarHBondContact OD2-NH2 2.68Å; I543-R547 HydrophobicContact CG2-CG 4.12Å; I543-R547 VanDerWaalsContact O-CG 3.23Å; I543-R547 WeakPolarHBondContact O-CG 3.35Å; I543-R547 PolarHBondContact O-N 3.35Å; R547-Q551 HydrophobicContact CB-CB 3.94Å; R547-I552 HydrophobicContact CB-CD1 4.01Å; R547-I552 HydrophobicContact CB-CG1 4.19Å; R547-I555 HydrophobicContact CB-CD1 4.5Å; R547-I555 HydrophobicContact CG-CD1 4.06Å
548T88.8Confident91.2Very high16 Ų1624.7 Ų24.710%0.09813%0.125CC..  trans-79.8165.2176.663.90000112.1V430 A550 Q551 I552 E594V430-T548 HydrophobicContact CB-CG2 4.39Å; V430-T548 HydrophobicContact CG2-CG2 4.17Å; V430-T548 WeakPolarHBondContact CG2-OG1 3.23Å; V430-T548 WeakPolarHBondContact O-CG2 3.43Å; T548-A550 VanDerWaalsContact C-N 3.25Å; T548-A550 PolarHBondContact O-N 2.92Å; T548-Q551 PolarHBondContact O-N 3.45Å; T548-Q551 VanDerWaalsContact O-N 3.09Å; T548-Q551 VanDerWaalsContact OG1-CG 3.3Å; T548-Q551 WeakPolarHBondContact OG1-CG 3.38Å; T548-Q551 PolarHBondContact OG1-N 2.84Å; T548-I552 WeakPolarHBondContact O-CG1 3.38Å; T548-I552 PolarHBondContact O-N 3.44Å; T548-E594 WeakPolarHBondContact CA-OE1 3.49Å; T548-E594 WeakPolarHBondContact CB-OE1 3.19Å
549N91.5Very high92Very high32 Ų3221.7 Ų21.717%0.17111%0.109CC..Hα-helixtrans-52.1-44.9174.1-68.2-29.6000112.1I552 K553 G590 N591 R592 E594N549-I552 PolarHBondContact O-N 3.05Å; N549-K553 PolarHBondContact O-N 2.68Å; N549-G590 WeakPolarHBondContact CB-O 3.08Å; N549-G590 VanDerWaalsContact CG-C 3.41Å; N549-G590 WeakPolarHBondContact OD1-CA 3.31Å; N549-G590 PolarHBondContact OD1-O 2.88Å; N549-G590 VanDerWaalsContact OD1-O 3.08Å; N549-N591 PolarHBondContact OD1-N 2.79Å; N549-R592 PolarHBondContact ND2-O 3.45Å; N549-R592 PolarHBondContact OD1-N 3.38Å; N549-E594 PolarHBondContact N-OE1 2.84Å; N549-E594 WeakPolarHBondContact ND2-CG 3.46Å; N549-E594 PolarHBondContact ND2-OE1 2.87Å; N549-E594 PolarHBondContact ND2-OE2 3.47Å
550A91.5Very high92.4Very high40 Ų4024 Ų2433%0.33113%0.125SC..Hα-helixtrans-62.9-43.7177.600000111.9V430 T548 K553 Q554V430-A550 HydrophobicContact CG1-CB 4.28Å; T548-A550 VanDerWaalsContact C-N 3.25Å; T548-A550 PolarHBondContact O-N 2.92Å; A550-K553 PolarHBondContact O-N 3.19Å; A550-Q554 WeakPolarHBondContact O-CG 3.41Å; A550-Q554 PolarHBondContact O-N 3.15Å; A550-Q554 VanDerWaalsContact O-N 3.13Å
551Q93.9Very high92.8Very high4 Ų430.6 Ų30.62%0.01915%0.154CC..Hα-helixtrans-64.1-46.6175.7-71.4169.3-18.300111.2Y427 V430 R547 T548 K553 Q554 I555Y427-Q551 HydrophobicContact CD1-CG 4.31Å; Y427-Q551 HydrophobicContact CD2-CB 4.18Å; Y427-Q551 HydrophobicContact CD2-CG 3.76Å; Y427-Q551 HydrophobicContact CE1-CG 4.17Å; Y427-Q551 HydrophobicContact CE2-CB 3.58Å; Y427-Q551 HydrophobicContact CE2-CG 3.6Å; Y427-Q551 HydrophobicContact CG-CG 4.14Å; Y427-Q551 PolarHBondContact O-NE2 3.28Å; V430-Q551 HydrophobicContact CG2-CG 3.89Å; R547-Q551 HydrophobicContact CB-CB 3.94Å; T548-Q551 PolarHBondContact O-N 3.45Å; T548-Q551 VanDerWaalsContact O-N 3.09Å; T548-Q551 VanDerWaalsContact OG1-CG 3.3Å; T548-Q551 WeakPolarHBondContact OG1-CG 3.38Å; T548-Q551 PolarHBondContact OG1-N 2.84Å; Q551-K553 VanDerWaalsContact C-N 3.31Å; Q551-K553 PolarHBondContact O-N 3.2Å; Q551-Q554 PolarHBondContact O-N 3.3Å; Q551-Q554 VanDerWaalsContact O-N 3.15Å; Q551-I555 VanDerWaalsContact O-CG1 3.26Å; Q551-I555 WeakPolarHBondContact O-CG1 3.15Å; Q551-I555 PolarHBondContact O-N 3.03Å
552I95Very high93.3Very high4 Ų432.6 Ų32.62%0.02116%0.164CC..Hα-helixtrans-56.7-43177.2-68.3-66.9000111.7L544 R547 T548 N549 I555 K556 L588L544-I552 HydrophobicContact CD2-CD1 3.79Å; R547-I552 HydrophobicContact CB-CD1 4.01Å; R547-I552 HydrophobicContact CB-CG1 4.19Å; T548-I552 WeakPolarHBondContact O-CG1 3.38Å; T548-I552 PolarHBondContact O-N 3.44Å; N549-I552 PolarHBondContact O-N 3.05Å; I552-I555 HydrophobicContact CD1-CD1 4.43Å; I552-I555 PolarHBondContact O-N 3.4Å; I552-K556 PolarHBondContact O-N 3.4Å; I552-L588 HydrophobicContact CG2-CD2 4.35Å
553K95.7Very high93.6Very high133 Ų13334.6 Ų34.658%0.57817%0.173SC*.Hα-helixtrans-60.8-49.4175-176-178.7175.3-175.30111.7N549 A550 Q551 I555 K556 E557N549-K553 PolarHBondContact O-N 2.68Å; A550-K553 PolarHBondContact O-N 3.19Å; Q551-K553 VanDerWaalsContact C-N 3.31Å; Q551-K553 PolarHBondContact O-N 3.2Å; K553-I555 VanDerWaalsContact C-N 3.29Å; K553-I555 PolarHBondContact O-N 3.41Å; K553-K556 PolarHBondContact O-N 3.02Å; K553-E557 VanDerWaalsContact CE-OE1 3.24Å; K553-E557 WeakPolarHBondContact CE-OE1 3.43Å; K553-E557 PolarHBondContact O-N 2.92Å
554Q96Very high93.7Very high39 Ų3939.1 Ų39.118%0.18220%0.202CC..Hα-helixtrans-63.9-34.3178.4-66.5-171.622.100112.2Y427 V519 A550 Q551 T558Y427-Q554 HydrophobicContact CD2-CB 4.21Å; Y427-Q554 HydrophobicContact CE2-CB 4.22Å; V519-Q554 VanDerWaalsContact CG2-C 3.4Å; V519-Q554 HydrophobicContact CG2-CB 3.87Å; V519-Q554 WeakPolarHBondContact CG2-O 3.31Å; A550-Q554 WeakPolarHBondContact O-CG 3.41Å; A550-Q554 PolarHBondContact O-N 3.15Å; A550-Q554 VanDerWaalsContact O-N 3.13Å; Q551-Q554 PolarHBondContact O-N 3.3Å; Q551-Q554 VanDerWaalsContact O-N 3.15Å; Q554-T558 VanDerWaalsContact O-CB 3.25Å; Q554-T558 WeakPolarHBondContact O-CB 3.39Å; Q554-T558 PolarHBondContact O-N 3.3Å; Q554-T558 PolarHBondContact O-OG1 2.96Å
555I97.5Very high93.8Very high0 Ų047.3 Ų47.30%025%0.246CC..Hα-helixtrans-61.7-51.7172.7-70.2166.5000110.3Y427 V519 D522 A523 L526 I543 R547 Q551 I552 K553 E557 T558 Y559 L568Y427-I555 HydrophobicContact CE2-CG1 4.39Å; Y427-I555 WeakPolarHBondContact OH-CD1 3.5Å; Y427-I555 WeakPolarHBondContact OH-CG1 3.24Å; V519-I555 HydrophobicContact CG2-CB 4.46Å; V519-I555 HydrophobicContact CG2-CG1 3.97Å; D522-I555 HydrophobicContact CB-CD1 3.85Å; D522-I555 HydrophobicContact CB-CG1 4Å; A523-I555 HydrophobicContact CB-CG2 4.39Å; L526-I555 HydrophobicContact CD1-CG2 3.51Å; I543-I555 HydrophobicContact CG2-CD1 4.3Å; R547-I555 HydrophobicContact CB-CD1 4.5Å; R547-I555 HydrophobicContact CG-CD1 4.06Å; Q551-I555 VanDerWaalsContact O-CG1 3.26Å; Q551-I555 WeakPolarHBondContact O-CG1 3.15Å; Q551-I555 PolarHBondContact O-N 3.03Å; I552-I555 HydrophobicContact CD1-CD1 4.43Å; I552-I555 PolarHBondContact O-N 3.4Å; K553-I555 VanDerWaalsContact C-N 3.29Å; K553-I555 PolarHBondContact O-N 3.41Å; I555-E557 VanDerWaalsContact C-N 3.35Å; I555-E557 PolarHBondContact O-N 2.88Å; I555-T558 PolarHBondContact O-N 3.39Å; I555-T558 VanDerWaalsContact O-N 3.15Å; I555-Y559 WeakPolarHBondContact O-CB 3.23Å; I555-Y559 PolarHBondContact O-N 3.3Å; I555-L568 HydrophobicContact CG2-CD2 3.67Å
556K97.1Very high94.3Very high45 Ų4552.3 Ų52.320%0.19627%0.265CS..Hα-helixtrans-56.3-48.6178.4-74.517783.8167.30111.2I552 K553 T558 Y559 S560 L568 E569 L588I552-K556 PolarHBondContact O-N 3.4Å; K553-K556 PolarHBondContact O-N 3.02Å; K556-T558 VanDerWaalsContact C-N 3.33Å; K556-T558 PolarHBondContact O-N 3.4Å; K556-Y559 PolarHBondContact O-N 2.77Å; K556-S560 PolarHBondContact O-N 2.83Å; K556-S560 PolarHBondContact O-OG 2.7Å; K556-L568 HydrophobicContact CG-CB 4.48Å; K556-L568 HydrophobicContact CG-CD2 3.97Å; K556-E569 IonicContact NZ-OE2 3.74Å; K556-E569 PolarHBondContact NZ-OE2 2.96Å; K556-L588 HydrophobicContact CD-CD2 4.31Å; K556-L588 VanDerWaalsContact CD-O 3.24Å; K556-L588 WeakPolarHBondContact CD-O 3.5Å; K556-L588 HydrophobicContact CG-CD2 4.24Å; K556-L588 PolarHBondContact NZ-O 2.59Å
557E96.4Very high94.7Very high89 Ų8954.6 Ų54.642%0.41628%0.277SS..Hα-helixtrans-61.4-39177-70.9-177.3-152.800113.2K553 I555 K561K553-E557 VanDerWaalsContact CE-OE1 3.24Å; K553-E557 WeakPolarHBondContact CE-OE1 3.43Å; K553-E557 PolarHBondContact O-N 2.92Å; I555-E557 VanDerWaalsContact C-N 3.35Å; I555-E557 PolarHBondContact O-N 2.88Å; E557-K561 VanDerWaalsContact O-CD 3.22Å; E557-K561 WeakPolarHBondContact O-CD 3.42Å; E557-K561 WeakPolarHBondContact O-CE 3.2Å; E557-K561 WeakPolarHBondContact O-CG 3.25Å; E557-K561 PolarHBondContact O-N 2.76Å; E557-K561 IonicContact OE2-NZ 2.76Å; E557-K561 PolarHBondContact OE2-NZ 2.95Å
558T97.3Very high95.1Very high21 Ų2153.7 Ų53.713%0.12927%0.273CS..Hα-helixtrans-73.1-39-179.9-59.50000111.5V519 E520 A523 Q554 I555 K556 S560 K561 I562V519-T558 HydrophobicContact CG1-CG2 4.34Å; V519-T558 HydrophobicContact CG2-CG2 4.41Å; V519-T558 WeakPolarHBondContact CG2-OG1 3.35Å; E520-T558 HydrophobicContact CB-CG2 4.2Å; A523-T558 HydrophobicContact CB-CG2 4.36Å; Q554-T558 VanDerWaalsContact O-CB 3.25Å; Q554-T558 WeakPolarHBondContact O-CB 3.39Å; Q554-T558 PolarHBondContact O-N 3.3Å; Q554-T558 PolarHBondContact O-OG1 2.96Å; I555-T558 PolarHBondContact O-N 3.39Å; I555-T558 VanDerWaalsContact O-N 3.15Å; K556-T558 VanDerWaalsContact C-N 3.33Å; K556-T558 PolarHBondContact O-N 3.4Å; T558-S560 PolarHBondContact O-N 3.18Å; T558-K561 WeakPolarHBondContact O-CB 3.35Å; T558-K561 PolarHBondContact O-N 2.85Å; T558-K561 VanDerWaalsContact O-N 3.14Å; T558-I562 HydrophobicContact CG2-CG2 4.19Å; T558-I562 WeakPolarHBondContact O-CG1 3.07Å; T558-I562 PolarHBondContact O-N 3.44Å
559Y98Very high95.4Very high0 Ų053.9 Ų53.90%027%0.273CS..Hα-helixtrans-56-51178.6-167.6-88.8000111.7A523 L526 R527 M530 I555 K556 K561 I562 F563 R566 L568 D571A523-Y559 HydrophobicContact CB-CD2 4.12Å; A523-Y559 WeakPolarHBondContact O-CD2 3.3Å; A523-Y559 WeakPolarHBondContact O-CE2 3.45Å; L526-Y559 HydrophobicContact CB-CE2 4.48Å; R527-Y559 HydrophobicContact CB-CE2 3.73Å; R527-Y559 WeakPolarHBondContact CD-OH 3.21Å; M530-Y559 HydrophobicContact CE-CE2 4.48Å; I555-Y559 WeakPolarHBondContact O-CB 3.23Å; I555-Y559 PolarHBondContact O-N 3.3Å; K556-Y559 PolarHBondContact O-N 2.77Å; Y559-K561 VanDerWaalsContact C-N 3.29Å; Y559-K561 PolarHBondContact O-N 3.29Å; Y559-I562 PolarHBondContact O-N 3.03Å; Y559-F563 HydrophobicContact CD1-CD2 4.15Å; Y559-F563 AromaticContact CD2-CD2 3.91Å; Y559-F563 HydrophobicContact CD2-CD2 3.91Å; Y559-F563 HydrophobicContact CD2-CE2 4.06Å; Y559-F563 HydrophobicContact CE1-CD2 4.14Å; Y559-F563 AromaticContact CE2-CD2 3.88Å; Y559-F563 HydrophobicContact CE2-CD2 3.88Å; Y559-F563 AromaticContact CE2-CE2 3.99Å; Y559-F563 HydrophobicContact CE2-CE2 3.99Å; Y559-F563 HydrophobicContact CG-CD2 4.05Å; Y559-F563 WeakPolarHBondContact O-CB 3.19Å; Y559-F563 PolarHBondContact O-N 3.48Å; Y559-R566 HydrophobicContact CE1-CB 4.07Å; Y559-L568 HydrophobicContact CD1-CB 3.72Å; Y559-L568 HydrophobicContact CD2-CB 4.22Å; Y559-L568 HydrophobicContact CD2-CD1 3.93Å; Y559-L568 HydrophobicContact CD2-CD2 4.47Å; Y559-L568 HydrophobicContact CD2-CG 4.44Å; Y559-L568 HydrophobicContact CE1-CB 4.06Å; Y559-L568 HydrophobicContact CE1-CD1 4.5Å; Y559-L568 HydrophobicContact CE2-CD1 3.74Å; Y559-L568 HydrophobicContact CG-CB 3.79Å; Y559-L568 HydrophobicContact CG-CD1 4.38Å; Y559-L568 HydrophobicContact CG-CG 4.46Å; Y559-D571 WeakPolarHBondContact CE1-OD2 3.17Å; Y559-D571 PolarHBondContact OH-OD2 3.47Å
560S96.7Very high95.6Very high49 Ų4957 Ų5734%0.34329%0.289SS..Hα-helixtrans-70.1-24.5179.5-45.70000112.9K556 T558 R566K556-S560 PolarHBondContact O-N 2.83Å; K556-S560 PolarHBondContact O-OG 2.7Å; T558-S560 PolarHBondContact O-N 3.18Å; S560-R566 PolarHBondContact OG-O 3.04Å
561K96.6Very high95.7Very high139 Ų13955.8 Ų55.860%0.60428%0.278SS*.Hα-helixtrans-72.2-42.1172-70.8164.1-164.3165.40112E557 T558 Y559E557-K561 VanDerWaalsContact O-CD 3.22Å; E557-K561 WeakPolarHBondContact O-CD 3.42Å; E557-K561 WeakPolarHBondContact O-CE 3.2Å; E557-K561 WeakPolarHBondContact O-CG 3.25Å; E557-K561 PolarHBondContact O-N 2.76Å; E557-K561 IonicContact OE2-NZ 2.76Å; E557-K561 PolarHBondContact OE2-NZ 2.95Å; T558-K561 WeakPolarHBondContact O-CB 3.35Å; T558-K561 PolarHBondContact O-N 2.85Å; T558-K561 VanDerWaalsContact O-N 3.14Å; Y559-K561 VanDerWaalsContact C-N 3.29Å; Y559-K561 PolarHBondContact O-N 3.29Å
562I95.8Very high95.6Very high43 Ų4355.6 Ų55.622%0.22128%0.277CS..Hα-helixtrans-88-21.2-176.770.8-178.7000113.8E520 A523 R524 T558 Y559E520-I562 HydrophobicContact CG-CD1 4.15Å; E520-I562 HydrophobicContact CG-CG2 4.38Å; A523-I562 HydrophobicContact CB-CD1 3.8Å; R524-I562 HydrophobicContact CG-CD1 3.76Å; T558-I562 HydrophobicContact CG2-CG2 4.19Å; T558-I562 WeakPolarHBondContact O-CG1 3.07Å; T558-I562 PolarHBondContact O-N 3.44Å; Y559-I562 PolarHBondContact O-N 3.03Å
563F96Very high95.3Very high43 Ų4358.4 Ų58.419%0.18929%0.289CS..SBendtrans-121.783.8175.1-55.9-57.6000110.6R524 R527 Y559 R566R524-F563 HydrophobicContact CG-CZ 4.13Å; R527-F563 HydrophobicContact CB-CD2 4.07Å; R527-F563 HydrophobicContact CB-CE1 4.43Å; R527-F563 HydrophobicContact CB-CE2 3.32Å; R527-F563 HydrophobicContact CB-CZ 3.53Å; R527-F563 HydrophobicContact CG-CD1 4.45Å; R527-F563 HydrophobicContact CG-CD2 4.13Å; R527-F563 HydrophobicContact CG-CE1 4.02Å; R527-F563 HydrophobicContact CG-CE2 3.69Å; R527-F563 HydrophobicContact CG-CZ 3.62Å; Y559-F563 HydrophobicContact CD1-CD2 4.15Å; Y559-F563 AromaticContact CD2-CD2 3.91Å; Y559-F563 HydrophobicContact CD2-CD2 3.91Å; Y559-F563 HydrophobicContact CD2-CE2 4.06Å; Y559-F563 HydrophobicContact CE1-CD2 4.14Å; Y559-F563 AromaticContact CE2-CD2 3.88Å; Y559-F563 HydrophobicContact CE2-CD2 3.88Å; Y559-F563 AromaticContact CE2-CE2 3.99Å; Y559-F563 HydrophobicContact CE2-CE2 3.99Å; Y559-F563 HydrophobicContact CG-CD2 4.05Å; Y559-F563 WeakPolarHBondContact O-CB 3.19Å; Y559-F563 PolarHBondContact O-N 3.48Å; F563-R566 HydrophobicContact CB-CB 4.13Å; F563-R566 HydrophobicContact CB-CG 4.44Å; F563-R566 PolarHBondContact O-N 3.41Å; F563-R566 VanDerWaalsContact O-N 3.14Å
564P92.7Very high94.9Very high95 Ų9556.5 Ų56.562%0.61729%0.292SS*.THydrogen-bonded Turntrans-53.6141.9178.2-2735.2000112.6R566P564-R566 PolarHBondContact O-N 3.47Å
565N92.7Very high94.3Very high176 Ų17657.1 Ų57.194%0.94130%0.297SS*.THydrogen-bonded Turntrans61.624.1-176-46.9-33.9000114.5
566R94.9Very high93.3Very high109 Ų10957.8 Ų57.841%0.41130%0.301SS..  trans-124.3150.7168.8-63.6-167.5167.6-85-17.3111.1Y559 S560 F563 P564 D571Y559-R566 HydrophobicContact CE1-CB 4.07Å; S560-R566 PolarHBondContact OG-O 3.04Å; F563-R566 HydrophobicContact CB-CB 4.13Å; F563-R566 HydrophobicContact CB-CG 4.44Å; F563-R566 PolarHBondContact O-N 3.41Å; F563-R566 VanDerWaalsContact O-N 3.14Å; P564-R566 PolarHBondContact O-N 3.47Å; R566-D571 WeakPolarHBondContact CD-OD2 3.48Å; R566-D571 IonicContact CZ-OD1 2.68Å; R566-D571 IonicContact NH1-OD1 3.2Å; R566-D571 PolarHBondContact NH1-OD1 3.18Å; R566-D571 IonicContact NH1-OD2 2.66Å
567D95.5Very high92Very high50 Ų5058 Ų5827%0.26731%0.308SS..  trans-125.2140.1168.2170.269.5000108.1E569 N570 D571D567-E569 WeakPolarHBondContact OD2-CA 3.34Å; D567-E569 VanDerWaalsContact OD2-CB 3.31Å; D567-E569 WeakPolarHBondContact OD2-CB 3.01Å; D567-E569 PolarHBondContact OD2-N 3.3Å; D567-N570 HydrophobicContact CB-CB 4.2Å; D567-N570 PolarHBondContact OD2-N 3.35Å; D567-D571 WeakPolarHBondContact O-CB 3.42Å; D567-D571 PolarHBondContact O-N 2.87Å
568L96.7Very high90.7Very high0 Ų061.7 Ų61.70%032%0.318CS..Hα-helixtrans-67.6-36.6-175.2174.256.6000112.1L526 M530 I555 K556 Y559 V572 L588L526-L568 HydrophobicContact CB-CD1 4.09Å; L526-L568 HydrophobicContact CD1-CD1 4.16Å; L526-L568 HydrophobicContact CD1-CD2 3.9Å; M530-L568 HydrophobicContact CE-CD1 3.71Å; I555-L568 HydrophobicContact CG2-CD2 3.67Å; K556-L568 HydrophobicContact CG-CB 4.48Å; K556-L568 HydrophobicContact CG-CD2 3.97Å; Y559-L568 HydrophobicContact CD1-CB 3.72Å; Y559-L568 HydrophobicContact CD2-CB 4.22Å; Y559-L568 HydrophobicContact CD2-CD1 3.93Å; Y559-L568 HydrophobicContact CD2-CD2 4.47Å; Y559-L568 HydrophobicContact CD2-CG 4.44Å; Y559-L568 HydrophobicContact CE1-CB 4.06Å; Y559-L568 HydrophobicContact CE1-CD1 4.5Å; Y559-L568 HydrophobicContact CE2-CD1 3.74Å; Y559-L568 HydrophobicContact CG-CB 3.79Å; Y559-L568 HydrophobicContact CG-CD1 4.38Å; Y559-L568 HydrophobicContact CG-CG 4.46Å; L568-V572 HydrophobicContact CD1-CG2 4.36Å; L568-V572 WeakPolarHBondContact O-CB 3.41Å; L568-V572 WeakPolarHBondContact O-CG2 3.42Å; L568-V572 PolarHBondContact O-N 3.47Å; L568-L588 HydrophobicContact CD2-CD2 3.65Å; L568-L588 HydrophobicContact CG-CD1 4.19Å; L568-L588 HydrophobicContact CG-CD2 3.92Å
569E96.1Very high89.3Confident20 Ų2063.5 Ų63.59%0.09333%0.325CS..Hα-helixtrans-75.1-37.9-178.2-164.4-177.1125.800111.4K556 D567 V572 K573 V585 L588 Q589K556-E569 IonicContact NZ-OE2 3.74Å; K556-E569 PolarHBondContact NZ-OE2 2.96Å; D567-E569 WeakPolarHBondContact OD2-CA 3.34Å; D567-E569 VanDerWaalsContact OD2-CB 3.31Å; D567-E569 WeakPolarHBondContact OD2-CB 3.01Å; D567-E569 PolarHBondContact OD2-N 3.3Å; E569-V572 PolarHBondContact O-N 3.25Å; E569-K573 WeakPolarHBondContact O-CB 3.26Å; E569-K573 VanDerWaalsContact O-CG 3.27Å; E569-K573 WeakPolarHBondContact O-CG 3.25Å; E569-K573 PolarHBondContact O-N 3.38Å; E569-K573 VanDerWaalsContact OE1-CE 3.29Å; E569-K573 WeakPolarHBondContact OE1-CE 3.42Å; E569-K573 IonicContact OE1-NZ 2.75Å; E569-K573 PolarHBondContact OE1-NZ 3.4Å; E569-V585 HydrophobicContact CG-CG1 4.25Å; E569-V585 HydrophobicContact CG-CG2 4.34Å; E569-L588 HydrophobicContact CB-CD1 4.18Å; E569-L588 HydrophobicContact CG-CD1 4.21Å; E569-Q589 VanDerWaalsContact CD-NE2 3.3Å; E569-Q589 PolarHBondContact OE1-NE2 3.27Å; E569-Q589 PolarHBondContact OE2-NE2 3.26Å
570N95.3Very high88.1Confident97 Ų9763.9 Ų63.952%0.51933%0.327SS..Hα-helixtrans-67.9-42.3173-69.3-18.7000112.3D567 V572 K573 S574D567-N570 HydrophobicContact CB-CB 4.2Å; D567-N570 PolarHBondContact OD2-N 3.35Å; N570-V572 VanDerWaalsContact C-N 3.34Å; N570-V572 PolarHBondContact O-N 3.36Å; N570-K573 PolarHBondContact O-N 2.88Å; N570-S574 WeakPolarHBondContact O-CB 3.48Å; N570-S574 PolarHBondContact O-N 3.07Å; N570-S574 PolarHBondContact O-OG 3Å
571D94.4Very high87.4Confident16 Ų1664 Ų649%0.08632%0.321CS..Hα-helixtrans-58.3-47.1172.6-83-10.5000109.8M530 Y559 R566 D567 K573 S574 D575M530-D571 HydrophobicContact CE-CB 3.87Å; M530-D571 HydrophobicContact SD-CB 4.14Å; Y559-D571 WeakPolarHBondContact CE1-OD2 3.17Å; Y559-D571 PolarHBondContact OH-OD2 3.47Å; R566-D571 WeakPolarHBondContact CD-OD2 3.48Å; R566-D571 IonicContact CZ-OD1 2.68Å; R566-D571 IonicContact NH1-OD1 3.2Å; R566-D571 PolarHBondContact NH1-OD1 3.18Å; R566-D571 IonicContact NH1-OD2 2.66Å; D567-D571 WeakPolarHBondContact O-CB 3.42Å; D567-D571 PolarHBondContact O-N 2.87Å; D571-K573 PolarHBondContact O-N 3.43Å; D571-S574 PolarHBondContact O-N 3.07Å; D571-S574 PolarHBondContact O-OG 2.99Å; D571-D575 WeakPolarHBondContact O-CB 3.24Å; D571-D575 PolarHBondContact O-N 3.37Å; D571-D575 VanDerWaalsContact O-N 3.08Å
572V90.7Very high86.5Confident0 Ų060.6 Ų60.60%030%0.304CS..Hα-helixtrans-60.2-45.6175162.90000112.7M530 L540 L568 E569 N570 S574 D575 T576 C584 V585 L588M530-V572 HydrophobicContact CE-CG2 4.03Å; M530-V572 VanDerWaalsContact SD-CA 3.6Å; M530-V572 HydrophobicContact SD-CB 4.13Å; M530-V572 HydrophobicContact SD-CG2 3.38Å; M530-V572 WeakPolarHBondContact SD-CG2 3.39Å; L540-V572 HydrophobicContact CD1-CG2 4.07Å; L568-V572 HydrophobicContact CD1-CG2 4.36Å; L568-V572 WeakPolarHBondContact O-CB 3.41Å; L568-V572 WeakPolarHBondContact O-CG2 3.42Å; L568-V572 PolarHBondContact O-N 3.47Å; E569-V572 PolarHBondContact O-N 3.25Å; N570-V572 VanDerWaalsContact C-N 3.34Å; N570-V572 PolarHBondContact O-N 3.36Å; V572-S574 PolarHBondContact O-N 3.49Å; V572-D575 PolarHBondContact O-N 2.95Å; V572-T576 HydrophobicContact CG1-CG2 4.44Å; V572-T576 WeakPolarHBondContact O-CB 3.45Å; V572-T576 PolarHBondContact O-N 2.87Å; V572-T576 VanDerWaalsContact O-N 3.08Å; V572-T576 PolarHBondContact O-OG1 2.97Å; V572-C584 HydrophobicContact CG1-CB 3.56Å; V572-V585 HydrophobicContact CG1-CG2 4.38Å; V572-L588 HydrophobicContact CB-CD1 4.04Å; V572-L588 HydrophobicContact CG1-CD1 4.24Å; V572-L588 HydrophobicContact CG2-CD1 3.85Å
573K89.6Confident85.8Confident62 Ų6258.5 Ų58.527%0.2729%0.294SS..Hα-helixtrans-60.3-32.3177.7-77.7168.8-175.6163.20112.5E569 N570 D571 K581 V585E569-K573 WeakPolarHBondContact O-CB 3.26Å; E569-K573 VanDerWaalsContact O-CG 3.27Å; E569-K573 WeakPolarHBondContact O-CG 3.25Å; E569-K573 PolarHBondContact O-N 3.38Å; E569-K573 VanDerWaalsContact OE1-CE 3.29Å; E569-K573 WeakPolarHBondContact OE1-CE 3.42Å; E569-K573 IonicContact OE1-NZ 2.75Å; E569-K573 PolarHBondContact OE1-NZ 3.4Å; N570-K573 PolarHBondContact O-N 2.88Å; D571-K573 PolarHBondContact O-N 3.43Å; K573-K581 HydrophobicContact CG-CD 4.49Å; K573-K581 HydrophobicContact CG-CG 4.46Å; K573-V585 HydrophobicContact CD-CG2 4.34Å; K573-V585 HydrophobicContact CG-CG2 3.58Å
574S87.2Confident85.3Confident94 Ų9456.5 Ų56.566%0.65729%0.285SS*.Hα-helixtrans-81.1-26.117973.20000114.3N570 D571 V572N570-S574 WeakPolarHBondContact O-CB 3.48Å; N570-S574 PolarHBondContact O-N 3.07Å; N570-S574 PolarHBondContact O-OG 3Å; D571-S574 PolarHBondContact O-N 3.07Å; D571-S574 PolarHBondContact O-OG 2.99Å; V572-S574 PolarHBondContact O-N 3.49Å
575D83.3Confident85.1Confident52 Ų5252.6 Ų52.628%0.27826%0.259SS..Hα-helixtrans-101.8-6.1-173.9-145.363.1000112.7M530 T535 D571 V572M530-D575 VanDerWaalsContact CA-OD2 3.25Å; M530-D575 WeakPolarHBondContact CA-OD2 3.49Å; M530-D575 HydrophobicContact CB-CB 4.18Å; M530-D575 WeakPolarHBondContact CB-OD2 3.36Å; M530-D575 HydrophobicContact CG-CB 4.17Å; M530-D575 HydrophobicContact SD-CB 4.39Å; T535-D575 WeakPolarHBondContact CB-OD2 3.43Å; T535-D575 VanDerWaalsContact CG2-OD2 3.3Å; T535-D575 WeakPolarHBondContact CG2-OD2 3.37Å; T535-D575 PolarHBondContact OG1-O 2.67Å; T535-D575 PolarHBondContact OG1-OD2 2.79Å; D571-D575 WeakPolarHBondContact O-CB 3.24Å; D571-D575 PolarHBondContact O-N 3.37Å; D571-D575 VanDerWaalsContact O-N 3.08Å; V572-D575 PolarHBondContact O-N 2.95Å
576T77Confident84.8Confident14 Ų1445.2 Ų45.29%0.08622%0.223CC..  trans-131.8151.6-176.165.80000113.1L540 V572 F580 K581L540-T576 HydrophobicContact CD2-CG2 3.91Å; V572-T576 HydrophobicContact CG1-CG2 4.44Å; V572-T576 WeakPolarHBondContact O-CB 3.45Å; V572-T576 PolarHBondContact O-N 2.87Å; V572-T576 VanDerWaalsContact O-N 3.08Å; V572-T576 PolarHBondContact O-OG1 2.97Å; T576-F580 HydrophobicContact CG2-CD1 3.72Å; T576-F580 HydrophobicContact CG2-CE1 3.53Å; T576-K581 VanDerWaalsContact OG1-CA 3.29Å; T576-K581 WeakPolarHBondContact OG1-CA 3.38Å; T576-K581 WeakPolarHBondContact OG1-CB 3.01Å
577S68.7Low84.5Confident50 Ų5040.8 Ų40.835%0.3521%0.207SC..  trans-117.7157.7-176.967.70000114.4H579 F580 K581 E672S577-H579 PolarHBondContact O-N 3.18Å; S577-F580 WeakPolarHBondContact O-CB 3.36Å; S577-F580 PolarHBondContact O-N 3.38Å; S577-F580 VanDerWaalsContact O-N 3.11Å; S577-K581 PolarHBondContact O-N 3.45Å; S577-E672 WeakPolarHBondContact CB-OE1 3.48Å; S577-E672 PolarHBondContact OG-OE1 3.47Å
578R69.9Low84.4Confident166 Ų16638.5 Ų38.563%0.62620%0.195SC*.Hα-helixtrans40.9-125.6168.3-55.4-168.2-161.2151.14.5114.8F580 K581 R582 E672R578-F580 VanDerWaalsContact C-N 3.27Å; R578-F580 PolarHBondContact O-N 2.86Å; R578-K581 WeakPolarHBondContact O-CB 3.4Å; R578-K581 PolarHBondContact O-N 2.94Å; R578-R582 WeakPolarHBondContact O-CG 3.48Å; R578-R582 PolarHBondContact O-N 3.34Å; R578-E672 WeakPolarHBondContact CB-OE1 3.4Å; R578-E672 VanDerWaalsContact CD-OE1 3.26Å; R578-E672 WeakPolarHBondContact CD-OE1 3.34Å; R578-E672 VanDerWaalsContact CD-OE2 3.31Å; R578-E672 WeakPolarHBondContact CD-OE2 3.33Å; R578-E672 WeakPolarHBondContact CG-OE1 3.43Å; R578-E672 IonicContact CZ-OE1 3.91Å; R578-E672 IonicContact CZ-OE2 3.64Å; R578-E672 IonicContact NE-OE1 2.72Å; R578-E672 PolarHBondContact NE-OE1 3.28Å; R578-E672 IonicContact NE-OE2 2.81Å; R578-E672 PolarHBondContact NE-OE2 2.81Å; R578-E672 IonicContact NH1-OE2 2.67Å; R578-E672 PolarHBondContact NH1-OE2 2.88Å
579H67.8Low84.2Confident59 Ų5942 Ų4227%0.27321%0.212SC..Hα-helixtrans-61.9-33.4-176.7-61.9-78.7000112.6S577 R582 V583 F676S577-H579 PolarHBondContact O-N 3.18Å; H579-R582 PolarHBondContact O-N 3.43Å; H579-V583 WeakPolarHBondContact O-CB 3.32Å; H579-V583 VanDerWaalsContact O-CG2 3.27Å; H579-V583 WeakPolarHBondContact O-CG2 3.21Å; H579-V583 PolarHBondContact O-N 2.92Å; H579-F676 HydrophobicContact CB-CD2 3.95Å; H579-F676 HydrophobicContact CB-CE2 4.21Å
580F73Confident83.8Confident7 Ų741.7 Ų41.73%0.03121%0.214CC..Hα-helixtrans-67.6-44.2177.2-174-127.2000111.4E537 L540 I541 T576 S577 R578 R582 V583 C584 F675E537-F580 HydrophobicContact CB-CE1 3.93Å; E537-F580 HydrophobicContact CB-CZ 3.72Å; E537-F580 HydrophobicContact CG-CE1 3.66Å; E537-F580 HydrophobicContact CG-CZ 4.01Å; L540-F580 HydrophobicContact CD2-CE1 4.17Å; L540-F580 HydrophobicContact CD2-CZ 3.98Å; I541-F580 HydrophobicContact CD1-CE2 3.63Å; I541-F580 HydrophobicContact CD1-CZ 4.07Å; I541-F580 HydrophobicContact CG1-CE2 3.53Å; I541-F580 HydrophobicContact CG1-CZ 3.93Å; T576-F580 HydrophobicContact CG2-CD1 3.72Å; T576-F580 HydrophobicContact CG2-CE1 3.53Å; S577-F580 WeakPolarHBondContact O-CB 3.36Å; S577-F580 PolarHBondContact O-N 3.38Å; S577-F580 VanDerWaalsContact O-N 3.11Å; R578-F580 VanDerWaalsContact C-N 3.27Å; R578-F580 PolarHBondContact O-N 2.86Å; F580-R582 PolarHBondContact O-N 3.25Å; F580-V583 PolarHBondContact O-N 2.85Å; F580-C584 WeakPolarHBondContact CE2-SG 3.44Å; F580-C584 PolarHBondContact O-N 3.45Å; F580-C584 PolarHBondContact O-SG 3.04Å; F580-F675 HydrophobicContact CD1-CD2 4.21Å; F580-F675 HydrophobicContact CD2-CB 4.37Å; F580-F675 HydrophobicContact CG-CB 4.24Å
581K81.8Confident83.5Confident52 Ų5243.4 Ų43.423%0.22622%0.223CC..Hα-helixtrans-53.9-52.8169.6-174.5-178.270.9171.40111.5K573 T576 S577 R578 V583 C584 V585K573-K581 HydrophobicContact CG-CD 4.49Å; K573-K581 HydrophobicContact CG-CG 4.46Å; T576-K581 VanDerWaalsContact OG1-CA 3.29Å; T576-K581 WeakPolarHBondContact OG1-CA 3.38Å; T576-K581 WeakPolarHBondContact OG1-CB 3.01Å; S577-K581 PolarHBondContact O-N 3.45Å; R578-K581 WeakPolarHBondContact O-CB 3.4Å; R578-K581 PolarHBondContact O-N 2.94Å; K581-V583 VanDerWaalsContact C-N 3.31Å; K581-V583 PolarHBondContact O-N 2.75Å; K581-C584 PolarHBondContact O-N 3.43Å; K581-V585 HydrophobicContact CG-CG2 4.29Å; K581-V585 WeakPolarHBondContact O-CB 3.34Å; K581-V585 VanDerWaalsContact O-CG2 3.27Å; K581-V585 WeakPolarHBondContact O-CG2 3.5Å; K581-V585 PolarHBondContact O-N 2.96Å
582R78.3Confident83.1Confident67 Ų6744 Ų4425%0.25322%0.224SC..Hα-helixtrans-57.4-43.7179.9-68.3179.3-172.7179.32.4111.5D142 R578 H579 F580 A586D142-R582 IonicContact OD2-CZ 2.97Å; D142-R582 IonicContact OD2-NH2 3.58Å; D142-R582 PolarHBondContact OD2-NH2 3.02Å; R578-R582 WeakPolarHBondContact O-CG 3.48Å; R578-R582 PolarHBondContact O-N 3.34Å; H579-R582 PolarHBondContact O-N 3.43Å; F580-R582 PolarHBondContact O-N 3.25Å; R582-A586 WeakPolarHBondContact O-CB 3.47Å; R582-A586 PolarHBondContact O-N 3.5Å
583V79.8Confident82.9Confident0 Ų047.3 Ų47.30%024%0.241CC..Hα-helixtrans-61.3-53.5175.7160.50000112.2H579 F580 K581 V585 A586 L587 V626 I630 F676 Y679H579-V583 WeakPolarHBondContact O-CB 3.32Å; H579-V583 VanDerWaalsContact O-CG2 3.27Å; H579-V583 WeakPolarHBondContact O-CG2 3.21Å; H579-V583 PolarHBondContact O-N 2.92Å; F580-V583 PolarHBondContact O-N 2.85Å; K581-V583 VanDerWaalsContact C-N 3.31Å; K581-V583 PolarHBondContact O-N 2.75Å; V583-V585 PolarHBondContact O-N 3.25Å; V583-A586 PolarHBondContact O-N 3.42Å; V583-L587 HydrophobicContact CG1-CD1 4.12Å; V583-L587 WeakPolarHBondContact O-CG 3.44Å; V583-L587 PolarHBondContact O-N 2.87Å; V583-V626 HydrophobicContact CG2-CG1 3.97Å; V583-V626 HydrophobicContact CG2-CG2 3.67Å; V583-I630 HydrophobicContact CB-CD1 4.32Å; V583-I630 HydrophobicContact CG1-CD1 4.35Å; V583-I630 HydrophobicContact CG2-CD1 4.22Å; V583-F676 HydrophobicContact CG2-CE2 4.36Å; V583-Y679 HydrophobicContact CB-CD1 4.49Å; V583-Y679 HydrophobicContact CB-CE1 4.27Å; V583-Y679 HydrophobicContact CG1-CD1 3.83Å; V583-Y679 HydrophobicContact CG1-CD2 3.47Å; V583-Y679 VanDerWaalsContact CG1-CD2 3.47Å; V583-Y679 HydrophobicContact CG1-CE1 3.63Å; V583-Y679 HydrophobicContact CG1-CE2 3.27Å; V583-Y679 HydrophobicContact CG1-CG 3.73Å; V583-Y679 HydrophobicContact CG2-CD1 3.94Å; V583-Y679 HydrophobicContact CG2-CE1 3.57Å
584C85.7Confident82.7Confident1 Ų149 Ų491%0.00725%0.25CS..Hα-helixtrans-65.5-41-176.4-69.50000112L544 V572 F580 K581 L587 L588L544-C584 HydrophobicContact CD1-CB 3.88Å; V572-C584 HydrophobicContact CG1-CB 3.56Å; F580-C584 WeakPolarHBondContact CE2-SG 3.44Å; F580-C584 PolarHBondContact O-N 3.45Å; F580-C584 PolarHBondContact O-SG 3.04Å; K581-C584 PolarHBondContact O-N 3.43Å; C584-L587 PolarHBondContact O-N 2.82Å; C584-L588 WeakPolarHBondContact O-CB 3.48Å; C584-L588 WeakPolarHBondContact O-CG 3.24Å; C584-L588 PolarHBondContact O-N 3.32Å
585V89.8Confident82.5Confident12 Ų1246.5 Ų46.57%0.07323%0.233CC..Hα-helixtrans-63.5-41175.2172.20000111.5E569 V572 K573 K581 V583 L588 Q589E569-V585 HydrophobicContact CG-CG1 4.25Å; E569-V585 HydrophobicContact CG-CG2 4.34Å; V572-V585 HydrophobicContact CG1-CG2 4.38Å; K573-V585 HydrophobicContact CD-CG2 4.34Å; K573-V585 HydrophobicContact CG-CG2 3.58Å; K581-V585 HydrophobicContact CG-CG2 4.29Å; K581-V585 WeakPolarHBondContact O-CB 3.34Å; K581-V585 VanDerWaalsContact O-CG2 3.27Å; K581-V585 WeakPolarHBondContact O-CG2 3.5Å; K581-V585 PolarHBondContact O-N 2.96Å; V583-V585 PolarHBondContact O-N 3.25Å; V585-L588 CarbonylContact O-C 3.47Å; V585-L588 PolarHBondContact O-N 2.92Å; V585-Q589 WeakPolarHBondContact O-CG 3.4Å; V585-Q589 PolarHBondContact O-N 3.35Å; V585-Q589 PolarHBondContact O-NE2 3.22Å
586A85.8Confident82.4Confident21 Ų2150.1 Ų50.117%0.17425%0.251CS..Hα-helixtrans-69.8-36.1178.800000112.8R582 V583 Q589 I630R582-A586 WeakPolarHBondContact O-CB 3.47Å; R582-A586 PolarHBondContact O-N 3.5Å; V583-A586 PolarHBondContact O-N 3.42Å; A586-Q589 WeakPolarHBondContact O-CB 3.22Å; A586-Q589 PolarHBondContact O-N 2.62Å; A586-I630 HydrophobicContact CB-CD1 3.71Å; A586-I630 HydrophobicContact CB-CG2 4.03Å
587L87.6Confident82.8Confident16 Ų1658.1 Ų58.18%0.08429%0.285CS..Hα-helixtrans-64.3-41169.2-68.2170000111.6L544 V583 C584 Q589 G590 I630 Y679L544-L587 HydrophobicContact CB-CB 4.2Å; L544-L587 HydrophobicContact CB-CD1 3.83Å; V583-L587 HydrophobicContact CG1-CD1 4.12Å; V583-L587 WeakPolarHBondContact O-CG 3.44Å; V583-L587 PolarHBondContact O-N 2.87Å; C584-L587 PolarHBondContact O-N 2.82Å; L587-Q589 PolarHBondContact O-N 2.73Å; L587-G590 PolarHBondContact O-N 2.96Å; L587-I630 HydrophobicContact CD2-CG1 4.46Å; L587-I630 HydrophobicContact CD2-CG2 4.39Å; L587-I630 HydrophobicContact CG-CD1 4.44Å; L587-Y679 HydrophobicContact CD1-CE2 4.06Å
588L93.4Very high83.6Confident2 Ų257.8 Ų57.81%0.0128%0.281CS..THydrogen-bonded Turntrans-66.3-9.3175.5-78.9177.1000114.6L544 I552 K556 L568 E569 V572 C584 V585 G590L544-L588 HydrophobicContact CD1-CG 4.43Å; L544-L588 HydrophobicContact CD2-CD2 3.53Å; L544-L588 HydrophobicContact CD2-CG 3.89Å; I552-L588 HydrophobicContact CG2-CD2 4.35Å; K556-L588 HydrophobicContact CD-CD2 4.31Å; K556-L588 VanDerWaalsContact CD-O 3.24Å; K556-L588 WeakPolarHBondContact CD-O 3.5Å; K556-L588 HydrophobicContact CG-CD2 4.24Å; K556-L588 PolarHBondContact NZ-O 2.59Å; L568-L588 HydrophobicContact CD2-CD2 3.65Å; L568-L588 HydrophobicContact CG-CD1 4.19Å; L568-L588 HydrophobicContact CG-CD2 3.92Å; E569-L588 HydrophobicContact CB-CD1 4.18Å; E569-L588 HydrophobicContact CG-CD1 4.21Å; V572-L588 HydrophobicContact CB-CD1 4.04Å; V572-L588 HydrophobicContact CG1-CD1 4.24Å; V572-L588 HydrophobicContact CG2-CD1 3.85Å; C584-L588 WeakPolarHBondContact O-CB 3.48Å; C584-L588 WeakPolarHBondContact O-CG 3.24Å; C584-L588 PolarHBondContact O-N 3.32Å; V585-L588 CarbonylContact O-C 3.47Å; V585-L588 PolarHBondContact O-N 2.92Å; L588-G590 VanDerWaalsContact C-N 3.29Å
589Q92.4Very high84.6Confident75 Ų7554.4 Ų54.435%0.3528%0.275SS..THydrogen-bonded Turntrans-73.3-22.6169-59.7-44.2-58.700112.4E569 V585 A586 L587 N591E569-Q589 VanDerWaalsContact CD-NE2 3.3Å; E569-Q589 PolarHBondContact OE1-NE2 3.27Å; E569-Q589 PolarHBondContact OE2-NE2 3.26Å; V585-Q589 WeakPolarHBondContact O-CG 3.4Å; V585-Q589 PolarHBondContact O-N 3.35Å; V585-Q589 PolarHBondContact O-NE2 3.22Å; A586-Q589 WeakPolarHBondContact O-CB 3.22Å; A586-Q589 PolarHBondContact O-N 2.62Å; L587-Q589 PolarHBondContact O-N 2.73Å; Q589-N591 VanDerWaalsContact C-N 3.32Å; Q589-N591 HydrophobicContact CB-CB 4.5Å; Q589-N591 PolarHBondContact O-N 2.6Å
590G88.6Confident85.8Confident13 Ų1356.3 Ų56.313%0.13429%0.285CS..THydrogen-bonded Turntrans61.238.7179.500000113.2N549 L587 L588N549-G590 WeakPolarHBondContact CB-O 3.08Å; N549-G590 VanDerWaalsContact CG-C 3.41Å; N549-G590 WeakPolarHBondContact OD1-CA 3.31Å; N549-G590 PolarHBondContact OD1-O 2.88Å; N549-G590 VanDerWaalsContact OD1-O 3.08Å; L587-G590 PolarHBondContact O-N 2.96Å; L588-G590 VanDerWaalsContact C-N 3.29Å
591N89.7Confident86.8Confident132 Ų13262.4 Ų62.471%0.70631%0.314SS*.  trans-119.726.6-175.2-69.1-31.9000113N549 Q589N549-N591 PolarHBondContact OD1-N 2.79Å; Q589-N591 VanDerWaalsContact C-N 3.32Å; Q589-N591 HydrophobicContact CB-CB 4.5Å; Q589-N591 PolarHBondContact O-N 2.6Å
592R85.3Confident87.4Confident29 Ų2962.5 Ų62.511%0.10932%0.316CS..  trans-69.6143.5174.6176.3-178.9-68.8-80.5-1109.6N549 E594 L629 I630 R632N549-R592 PolarHBondContact ND2-O 3.45Å; N549-R592 PolarHBondContact OD1-N 3.38Å; R592-E594 PolarHBondContact O-N 3.35Å; R592-L629 VanDerWaalsContact CZ-O 3.32Å; R592-L629 PolarHBondContact NH1-O 3.19Å; R592-L629 PolarHBondContact NH2-O 3.47Å; R592-I630 PolarHBondContact NH1-O 3.26Å; R592-R632 PolarHBondContact NH1-O 3.41Å
593D87.2Confident88.1Confident70 Ų7059.3 Ų59.337%0.37430%0.304SS..  trans-64.2121.2167.1177.321.5000110.4S595 S631 S633D593-S595 WeakPolarHBondContact OD1-CB 3.39Å; D593-S595 PolarHBondContact OD1-N 2.87Å; D593-S631 WeakPolarHBondContact CB-O 3.46Å; D593-S631 PolarHBondContact N-O 2.95Å; D593-S633 WeakPolarHBondContact O-CA 3.23Å; D593-S633 WeakPolarHBondContact O-CB 2.96Å; D593-S633 PolarHBondContact O-N 3.17Å
594E84.4Confident88.8Confident98 Ų9863.7 Ų63.746%0.45832%0.321SS..  trans-103.110.8177.4-71.1174.8150.300112.1T548 N549 R592T548-E594 WeakPolarHBondContact CA-OE1 3.49Å; T548-E594 WeakPolarHBondContact CB-OE1 3.19Å; N549-E594 PolarHBondContact N-OE1 2.84Å; N549-E594 WeakPolarHBondContact ND2-CG 3.46Å; N549-E594 PolarHBondContact ND2-OE1 2.87Å; N549-E594 PolarHBondContact ND2-OE2 3.47Å; R592-E594 PolarHBondContact O-N 3.35Å
595S84Confident89.2Confident41 Ų4169.6 Ų69.629%0.28735%0.347SS..  trans-67.3131.2177.9177.20000113.3D593 K597 S633D593-S595 WeakPolarHBondContact OD1-CB 3.39Å; D593-S595 PolarHBondContact OD1-N 2.87Å; S595-K597 VanDerWaalsContact C-N 3.3Å; S595-K597 WeakPolarHBondContact OG-CB 3.12Å; S595-K597 PolarHBondContact OG-N 3.27Å; S595-K597 PolarHBondContact OG-O 2.81Å; S595-S633 VanDerWaalsContact O-CB 3.23Å; S595-S633 WeakPolarHBondContact O-CB 2.97Å; S595-S633 PolarHBondContact O-OG 2.77Å
596L81.3Confident89.4Confident128 Ų12869.1 Ų69.167%0.6734%0.344SS*.SBendtrans-79.4-9.7166.3-59.5-179.7000113.4A635L596-A635 HydrophobicContact CD2-CB 4.46Å
597K84.3Confident89.7Confident182 Ų18268.1 Ų68.179%0.79134%0.335SS*.  trans-82.8125.1174-60176.6-177.8173.10108.9S595S595-K597 VanDerWaalsContact C-N 3.3Å; S595-K597 WeakPolarHBondContact OG-CB 3.12Å; S595-K597 PolarHBondContact OG-N 3.27Å; S595-K597 PolarHBondContact OG-O 2.81Å
598V86Confident89.9Confident43 Ų4370.1 Ų70.126%0.26134%0.344SS..  trans-115.5130.6-177.3-176.10000110.6M600 V603 A635 H636 L639V598-M600 HydrophobicContact CG1-SD 4.4Å; V598-V603 HydrophobicContact CG1-CG2 3.43Å; V598-V603 VanDerWaalsContact CG1-CG2 3.43Å; V598-A635 HydrophobicContact CG2-CB 3.66Å; V598-H636 HydrophobicContact CG1-CB 4.2Å; V598-H636 HydrophobicContact CG2-CB 4.45Å; V598-L639 HydrophobicContact CB-CD1 4.11Å; V598-L639 HydrophobicContact CG1-CD1 3.89Å; V598-L639 HydrophobicContact CG2-CD1 4.12Å
599D91.5Very high89.9Confident94 Ų9471.4 Ų71.450%0.50335%0.351SS..  trans-86.2112.8166.21781.3000109.7E601 L602 V603D599-E601 VanDerWaalsContact C-N 3.32Å; D599-E601 PolarHBondContact O-N 3.28Å; D599-E601 WeakPolarHBondContact OD1-CB 3.5Å; D599-E601 PolarHBondContact OD1-N 2.86Å; D599-L602 HydrophobicContact CB-CB 4.02Å; D599-L602 PolarHBondContact O-N 3.36Å; D599-L602 PolarHBondContact OD1-N 3.21Å; D599-V603 WeakPolarHBondContact O-CG2 3.38Å; D599-V603 PolarHBondContact O-N 2.91Å
600M92.3Very high89.6Confident99 Ų9967.8 Ų67.849%0.48833%0.334SS..Hα-helixtrans-69.9-25.7-179-68.2-56.3-56.400113.6V598 V603 R604 L639V598-M600 HydrophobicContact CG1-SD 4.4Å; M600-V603 HydrophobicContact CE-CG1 4.26Å; M600-V603 PolarHBondContact O-N 3.49Å; M600-R604 PolarHBondContact O-N 3.23Å; M600-L639 HydrophobicContact SD-CD1 3.97Å
601E94.2Very high89.6Confident136 Ų13669.3 Ų69.364%0.63634%0.336SS*.Hα-helixtrans-72.6-40.1176.6-170.660.9-153.700109.9D599 R604 K605D599-E601 VanDerWaalsContact C-N 3.32Å; D599-E601 PolarHBondContact O-N 3.28Å; D599-E601 WeakPolarHBondContact OD1-CB 3.5Å; D599-E601 PolarHBondContact OD1-N 2.86Å; E601-R604 PolarHBondContact O-N 3.16Å; E601-K605 WeakPolarHBondContact O-CB 3.36Å; E601-K605 PolarHBondContact O-N 3.13Å
602L94.3Very high89.6Confident53 Ų5369.8 Ų69.828%0.27733%0.328SS..Hα-helixtrans-64.6-39.6171.3-171.263.3000111.8D599 K605 D606D599-L602 HydrophobicContact CB-CB 4.02Å; D599-L602 PolarHBondContact O-N 3.36Å; D599-L602 PolarHBondContact OD1-N 3.21Å; L602-K605 PolarHBondContact O-N 3.48Å; L602-D606 WeakPolarHBondContact O-CB 3.34Å; L602-D606 PolarHBondContact O-N 2.92Å
603V92.2Very high89.5Confident0 Ų068.7 Ų68.70%033%0.325CS..Hα-helixtrans-57.1-49.3174.2165.70000110.9V598 D599 M600 D606 A607 H636 L639 L640 E643V598-V603 HydrophobicContact CG1-CG2 3.43Å; V598-V603 VanDerWaalsContact CG1-CG2 3.43Å; D599-V603 WeakPolarHBondContact O-CG2 3.38Å; D599-V603 PolarHBondContact O-N 2.91Å; M600-V603 HydrophobicContact CE-CG1 4.26Å; M600-V603 PolarHBondContact O-N 3.49Å; V603-D606 PolarHBondContact O-N 3.03Å; V603-A607 WeakPolarHBondContact O-CB 3.31Å; V603-A607 PolarHBondContact O-N 3.4Å; V603-H636 WeakPolarHBondContact CG2-ND1 3.43Å; V603-H636 PolarHBondContact N-CE1 3.45Å; V603-L639 HydrophobicContact CG1-CB 4.17Å; V603-L639 HydrophobicContact CG2-CB 4.24Å; V603-L640 HydrophobicContact CG1-CB 4.44Å; V603-E643 HydrophobicContact CG1-CB 4.04Å
604R94.4Very high89.1Confident93 Ų9365.4 Ų65.435%0.35131%0.308SS..Hα-helixtrans-57.6-50.2174.8-91.5-159.160.379.66112.2M600 E601 D606 A607 E608 E643M600-R604 PolarHBondContact O-N 3.23Å; E601-R604 PolarHBondContact O-N 3.16Å; R604-D606 VanDerWaalsContact C-N 3.32Å; R604-D606 PolarHBondContact O-N 3.49Å; R604-A607 PolarHBondContact O-N 2.82Å; R604-E608 IonicContact CZ-OE1 3.85Å; R604-E608 IonicContact NH2-OE1 2.79Å; R604-E608 PolarHBondContact NH2-OE1 3.41Å; R604-E608 PolarHBondContact O-N 3.34Å; R604-E643 HydrophobicContact CG-CG 4.09Å; R604-E643 WeakPolarHBondContact CG-OE1 3.45Å; R604-E643 IonicContact CZ-OE1 3.47Å; R604-E643 IonicContact NH1-OE1 3.44Å; R604-E643 PolarHBondContact NH1-OE1 2.74Å
605K95.5Very high88.9Confident125 Ų12561.8 Ų61.854%0.54329%0.291SS..Hα-helixtrans-59.1-43.4-179.1-173.7177.5-179.6179.40111.6E601 L602 E608 N609E601-K605 WeakPolarHBondContact O-CB 3.36Å; E601-K605 PolarHBondContact O-N 3.13Å; L602-K605 PolarHBondContact O-N 3.48Å; K605-E608 PolarHBondContact O-N 2.97Å; K605-N609 WeakPolarHBondContact O-CB 3.12Å; K605-N609 PolarHBondContact O-N 3.01Å; K605-N609 PolarHBondContact O-ND2 3.04Å; K605-N609 PolarHBondContact O-OD1 3.26Å
606D93.6Very high88.7Confident2 Ų265.5 Ų65.51%0.01130%0.303CS..Hα-helixtrans-77.5-30.2-178.9-74.2-26.5000113.4L602 V603 R604 N609 L610 R624 I628 R632 H636 L640L602-D606 WeakPolarHBondContact O-CB 3.34Å; L602-D606 PolarHBondContact O-N 2.92Å; V603-D606 PolarHBondContact O-N 3.03Å; R604-D606 VanDerWaalsContact C-N 3.32Å; R604-D606 PolarHBondContact O-N 3.49Å; D606-N609 PolarHBondContact O-N 2.67Å; D606-N609 PolarHBondContact OD1-ND2 3.41Å; D606-L610 WeakPolarHBondContact O-CG 3.25Å; D606-L610 PolarHBondContact O-N 3.05Å; D606-R624 IonicContact OD1-NH2 3.71Å; D606-I628 HydrophobicContact CB-CD1 4.04Å; D606-I628 HydrophobicContact CB-CG1 4.5Å; D606-I628 HydrophobicContact CB-CG2 4.25Å; D606-R632 IonicContact OD1-NH2 3.26Å; D606-R632 IonicContact OD2-CZ 3.78Å; D606-R632 IonicContact OD2-NE 3.57Å; D606-R632 PolarHBondContact OD2-NE 2.81Å; D606-R632 IonicContact OD2-NH2 2.76Å; D606-R632 PolarHBondContact OD2-NH2 3.15Å; D606-H636 IonicContact OD2-NE2 2.66Å; D606-L640 HydrophobicContact CB-CD1 3.53Å
607A91.6Very high88.2Confident0 Ų063.9 Ų63.90%029%0.291CS..Hα-helixtrans-60.4-49.4165.800000111.1V603 R604 N609 L610 Y611 L640 E643 I647V603-A607 WeakPolarHBondContact O-CB 3.31Å; V603-A607 PolarHBondContact O-N 3.4Å; R604-A607 PolarHBondContact O-N 2.82Å; A607-N609 VanDerWaalsContact C-N 3.28Å; A607-N609 PolarHBondContact O-N 3.34Å; A607-L610 PolarHBondContact O-N 3.47Å; A607-Y611 PolarHBondContact O-N 2.87Å; A607-L640 HydrophobicContact CB-CG 4.3Å; A607-E643 HydrophobicContact CB-CB 4.14Å; A607-E643 HydrophobicContact CB-CG 3.94Å; A607-I647 VanDerWaalsContact C-CD1 3.43Å; A607-I647 HydrophobicContact CB-CD1 3.85Å; A607-I647 WeakPolarHBondContact O-CD1 3.5Å
608E93Very high87.1Confident58 Ų5862.8 Ų62.827%0.27129%0.293SS..Hα-helixtrans-59.5-37.9174.7-74.7-173-148.200112.5R604 K605 Y611 R612 I647R604-E608 IonicContact CZ-OE1 3.85Å; R604-E608 IonicContact NH2-OE1 2.79Å; R604-E608 PolarHBondContact NH2-OE1 3.41Å; R604-E608 PolarHBondContact O-N 3.34Å; K605-E608 PolarHBondContact O-N 2.97Å; E608-Y611 PolarHBondContact O-N 3.3Å; E608-R612 WeakPolarHBondContact O-CB 3.35Å; E608-R612 VanDerWaalsContact O-CG 3.27Å; E608-R612 WeakPolarHBondContact O-CG 3.42Å; E608-R612 PolarHBondContact O-N 3.14Å; E608-R612 IonicContact OE2-CZ 2.73Å; E608-R612 IonicContact OE2-NH2 2.68Å; E608-R612 PolarHBondContact OE2-NH2 2.84Å; E608-I647 HydrophobicContact CG-CD1 4.28Å
609N91.8Very high85.9Confident28 Ų2862.4 Ų62.415%0.1530%0.297CS..Hα-helixtrans-64-45.8175.9-68-36.7000111.9K605 D606 A607 Y611 R612 A613 R624 I628K605-N609 WeakPolarHBondContact O-CB 3.12Å; K605-N609 PolarHBondContact O-N 3.01Å; K605-N609 PolarHBondContact O-ND2 3.04Å; K605-N609 PolarHBondContact O-OD1 3.26Å; D606-N609 PolarHBondContact O-N 2.67Å; D606-N609 PolarHBondContact OD1-ND2 3.41Å; A607-N609 VanDerWaalsContact C-N 3.28Å; A607-N609 PolarHBondContact O-N 3.34Å; N609-Y611 VanDerWaalsContact C-N 3.28Å; N609-Y611 PolarHBondContact O-N 2.93Å; N609-R612 PolarHBondContact O-N 3.08Å; N609-A613 WeakPolarHBondContact O-CB 3.46Å; N609-A613 PolarHBondContact O-N 3.4Å; N609-R624 PolarHBondContact ND2-NH2 2.75Å; N609-I628 HydrophobicContact CB-CD1 3.93Å
610L87.2Confident84.8Confident0 Ų058.4 Ų58.40%028%0.277CS..Hα-helixtrans-66.5-31.2176.2-67.2-167.1000112D606 A607 A613 G614 F625 I628 L640 Y644 I652D606-L610 WeakPolarHBondContact O-CG 3.25Å; D606-L610 PolarHBondContact O-N 3.05Å; A607-L610 PolarHBondContact O-N 3.47Å; L610-A613 PolarHBondContact O-N 3.45Å; L610-G614 PolarHBondContact O-N 3.36Å; L610-F625 HydrophobicContact CB-CE1 4.25Å; L610-F625 HydrophobicContact CB-CZ 4.15Å; L610-F625 HydrophobicContact CD1-CD1 4.21Å; L610-F625 HydrophobicContact CD1-CE1 4.12Å; L610-F625 HydrophobicContact CD2-CB 4.4Å; L610-F625 HydrophobicContact CD2-CD1 3.78Å; L610-F625 HydrophobicContact CD2-CD2 4.07Å; L610-F625 HydrophobicContact CD2-CE1 4.02Å; L610-F625 HydrophobicContact CD2-CE2 4.28Å; L610-F625 HydrophobicContact CD2-CG 3.82Å; L610-F625 HydrophobicContact CD2-CZ 4.26Å; L610-F625 HydrophobicContact CG-CD1 4.5Å; L610-F625 HydrophobicContact CG-CE1 4.36Å; L610-I628 HydrophobicContact CD1-CG2 4.45Å; L610-I628 HydrophobicContact CD2-CB 4.31Å; L610-I628 HydrophobicContact CD2-CD1 3.67Å; L610-I628 HydrophobicContact CG-CD1 4.04Å; L610-L640 HydrophobicContact CD1-CD2 3.67Å; L610-L640 HydrophobicContact CG-CD2 4.5Å; L610-Y644 HydrophobicContact CB-CD2 3.96Å; L610-Y644 HydrophobicContact CB-CE2 3.66Å; L610-I652 HydrophobicContact CB-CD1 4.3Å; L610-I652 HydrophobicContact CD1-CD1 3.84Å
611Y88.7Confident84Confident45 Ų4556.2 Ų56.218%0.17627%0.267CS..Hα-helixtrans-70.9-40.7177.4178.9-118.6000111.1A607 E608 N609 A613 G614 E615 Q616 I647A607-Y611 PolarHBondContact O-N 2.87Å; E608-Y611 PolarHBondContact O-N 3.3Å; N609-Y611 VanDerWaalsContact C-N 3.28Å; N609-Y611 PolarHBondContact O-N 2.93Å; Y611-A613 VanDerWaalsContact C-N 3.34Å; Y611-G614 CarbonylContact O-C 3.51Å; Y611-G614 PolarHBondContact O-N 3.39Å; Y611-E615 HydrophobicContact CD2-CB 3.9Å; Y611-E615 HydrophobicContact CD2-CG 4.34Å; Y611-E615 HydrophobicContact CE2-CB 3.65Å; Y611-E615 HydrophobicContact CE2-CG 4.28Å; Y611-E615 PolarHBondContact O-N 2.91Å; Y611-Q616 HydrophobicContact CD1-CG 3.84Å; Y611-Q616 VanDerWaalsContact CE1-CD 3.45Å; Y611-Q616 HydrophobicContact CE1-CG 3.57Å; Y611-Q616 VanDerWaalsContact CE1-NE2 3.3Å; Y611-Q616 HydrophobicContact CE2-CG 4.3Å; Y611-Q616 HydrophobicContact CG-CG 4.34Å; Y611-Q616 PolarHBondContact O-N 3.33Å; Y611-I647 HydrophobicContact CG-CD1 4.38Å
612R88.8Confident82.9Confident142 Ų14252.4 Ų52.454%0.53625%0.249SC..Hα-helixtrans-64.7-35.7171.3-70.6169.6-161.9-163.611.6112.9E608 N609 Q616E608-R612 WeakPolarHBondContact O-CB 3.35Å; E608-R612 VanDerWaalsContact O-CG 3.27Å; E608-R612 WeakPolarHBondContact O-CG 3.42Å; E608-R612 PolarHBondContact O-N 3.14Å; E608-R612 IonicContact OE2-CZ 2.73Å; E608-R612 IonicContact OE2-NH2 2.68Å; E608-R612 PolarHBondContact OE2-NH2 2.84Å; N609-R612 PolarHBondContact O-N 3.08Å; R612-Q616 VanDerWaalsContact CG-OE1 3.26Å
613A83.5Confident81.9Confident6 Ų652.3 Ų52.35%0.0525%0.253CS..Hα-helixtrans-76.4-23178.200000114.1N609 L610 Y611 T620 D621 R624 F625N609-A613 WeakPolarHBondContact O-CB 3.46Å; N609-A613 PolarHBondContact O-N 3.4Å; L610-A613 PolarHBondContact O-N 3.45Å; Y611-A613 VanDerWaalsContact C-N 3.34Å; A613-T620 CarbonylContact O-C 3.52Å; A613-T620 WeakPolarHBondContact O-CA 3.26Å; A613-D621 HydrophobicContact CB-CB 3.8Å; A613-D621 PolarHBondContact O-N 2.99Å; A613-R624 HydrophobicContact CB-CB 4.04Å; A613-R624 HydrophobicContact CB-CG 4.06Å; A613-F625 HydrophobicContact CB-CD2 3.97Å; A613-F625 HydrophobicContact CB-CE2 3.66Å
614G78.2Confident81.4Confident0 Ų055.6 Ų55.60%027%0.265CS..THydrogen-bonded Turntrans-110.7-105.1177.900000111.4L610 Y611 Q616 K617L610-G614 PolarHBondContact O-N 3.36Å; Y611-G614 CarbonylContact O-C 3.51Å; Y611-G614 PolarHBondContact O-N 3.39Å; G614-Q616 PolarHBondContact O-N 3.39Å; G614-K617 PolarHBondContact O-N 3.06Å
615E81.1Confident80.6Confident23 Ų2351.2 Ų51.211%0.10725%0.249CC..THydrogen-bonded Turntrans-55.5-12.8-168-59.5-169.7-167.200117.5Y611 K649 K650 T655Y611-E615 HydrophobicContact CD2-CB 3.9Å; Y611-E615 HydrophobicContact CD2-CG 4.34Å; Y611-E615 HydrophobicContact CE2-CB 3.65Å; Y611-E615 HydrophobicContact CE2-CG 4.28Å; Y611-E615 PolarHBondContact O-N 2.91Å; E615-K649 PolarHBondContact OE1-N 3.4Å; E615-K649 VanDerWaalsContact OE2-CB 3.29Å; E615-K649 WeakPolarHBondContact OE2-CB 3.43Å; E615-K649 WeakPolarHBondContact OE2-CG 3.45Å; E615-K649 PolarHBondContact OE2-N 2.63Å; E615-K650 WeakPolarHBondContact OE1-CB 3.35Å; E615-K650 PolarHBondContact OE1-N 3.05Å; E615-K650 VanDerWaalsContact OE1-N 3.1Å; E615-T655 HydrophobicContact CG-CG2 3.57Å; E615-T655 PolarHBondContact OE1-OG1 3.26Å
616Q79.1Confident79.7Confident118 Ų11845.7 Ų45.755%0.55123%0.226SC*.THydrogen-bonded Turntrans-96.1-3.2174.4-58.3-159.6-50.300114.6Y611 R612 G614Y611-Q616 HydrophobicContact CD1-CG 3.84Å; Y611-Q616 VanDerWaalsContact CE1-CD 3.45Å; Y611-Q616 HydrophobicContact CE1-CG 3.57Å; Y611-Q616 VanDerWaalsContact CE1-NE2 3.3Å; Y611-Q616 HydrophobicContact CE2-CG 4.3Å; Y611-Q616 HydrophobicContact CG-CG 4.34Å; Y611-Q616 PolarHBondContact O-N 3.33Å; R612-Q616 VanDerWaalsContact CG-OE1 3.26Å; G614-Q616 PolarHBondContact O-N 3.39Å
617K70.1Confident79.1Confident95 Ų9548 Ų4841%0.41324%0.236SC..SBendtrans-117.9156.6179.9-163-179.8-178.9-170.70109.1G614 D621G614-K617 PolarHBondContact O-N 3.06Å; K617-D621 IonicContact NZ-OD2 3.03Å; K617-D621 PolarHBondContact NZ-OD2 3.01Å; K617-D621 VanDerWaalsContact NZ-OD2 3.15Å
618L62.3Low78.8Confident159 Ų15948.1 Ų48.183%0.83224%0.237SC*.SBendtrans-84.3114.9166.4-173.374.3000107.2
619G61.4Low78.3Confident34 Ų3445.3 Ų45.335%0.35122%0.224SC..SBendtrans78.7171.7-166.100000112.6
620T68.3Low77.7Confident11 Ų1144.9 Ų44.97%0.06722%0.221CC..  trans-94.5160.8-177.3-57.60000111A613 F625 L656A613-T620 CarbonylContact O-C 3.52Å; A613-T620 WeakPolarHBondContact O-CA 3.26Å; T620-F625 HydrophobicContact CG2-CD2 3.57Å; T620-F625 HydrophobicContact CG2-CE2 3.58Å; T620-F625 HydrophobicContact CG2-CG 4.42Å; T620-F625 HydrophobicContact CG2-CZ 4.41Å; T620-L656 HydrophobicContact CG2-CD2 4.1Å
621D75.5Confident77.6Confident53 Ų5346.9 Ų46.928%0.28324%0.235SC..  trans-103.382.3163.9-165.5-53.1000108.8A613 K617 S623 R624 F625A613-D621 HydrophobicContact CB-CB 3.8Å; A613-D621 PolarHBondContact O-N 2.99Å; K617-D621 IonicContact NZ-OD2 3.03Å; K617-D621 PolarHBondContact NZ-OD2 3.01Å; K617-D621 VanDerWaalsContact NZ-OD2 3.15Å; D621-S623 PolarHBondContact O-N 3.31Å; D621-R624 HydrophobicContact CB-CB 4.17Å; D621-R624 PolarHBondContact O-N 3.47Å; D621-R624 VanDerWaalsContact O-N 3.08Å; D621-R624 WeakPolarHBondContact OD1-CB 3.34Å; D621-R624 PolarHBondContact OD1-N 3.03Å; D621-F625 WeakPolarHBondContact O-CD2 3.44Å; D621-F625 PolarHBondContact O-N 2.99Å; D621-F625 VanDerWaalsContact O-N 3.16Å
622E70.3Confident77.5Confident56 Ų5647.4 Ų47.426%0.26224%0.237SC..Hα-helixtrans-58.8-37.6-171.8-63.275.7-166.800111.1R624 F625 V626 F676E622-R624 PolarHBondContact O-N 3.12Å; E622-F625 PolarHBondContact O-N 2.8Å; E622-V626 WeakPolarHBondContact O-CB 3.37Å; E622-V626 VanDerWaalsContact O-CG2 3.27Å; E622-V626 WeakPolarHBondContact O-CG2 3.49Å; E622-V626 PolarHBondContact O-N 2.97Å; E622-F676 HydrophobicContact CB-CE2 4.38Å; E622-F676 HydrophobicContact CB-CZ 4.05Å; E622-F676 HydrophobicContact CG-CE1 4.4Å; E622-F676 HydrophobicContact CG-CZ 4.35Å
623S73.5Confident77.4Confident51 Ų5140.7 Ų40.736%0.35721%0.212SC..Hα-helixtrans-58.1-45.8175.7-66.60000111.9D621 F625 V626 Q627D621-S623 PolarHBondContact O-N 3.31Å; S623-F625 PolarHBondContact O-N 3.3Å; S623-V626 PolarHBondContact O-N 2.85Å; S623-Q627 VanDerWaalsContact O-CB 3.3Å; S623-Q627 WeakPolarHBondContact O-CB 3.48Å; S623-Q627 PolarHBondContact O-N 3.38Å
624R81.5Confident77.4Confident69 Ų6941.7 Ų41.726%0.2622%0.215SC..Hα-helixtrans-66.6-36.9178.1-171.455173.6-173.81.1112.7D606 N609 A613 D621 E622 Q627 I628D606-R624 IonicContact OD1-NH2 3.71Å; N609-R624 PolarHBondContact ND2-NH2 2.75Å; A613-R624 HydrophobicContact CB-CB 4.04Å; A613-R624 HydrophobicContact CB-CG 4.06Å; D621-R624 HydrophobicContact CB-CB 4.17Å; D621-R624 PolarHBondContact O-N 3.47Å; D621-R624 VanDerWaalsContact O-N 3.08Å; D621-R624 WeakPolarHBondContact OD1-CB 3.34Å; D621-R624 PolarHBondContact OD1-N 3.03Å; E622-R624 PolarHBondContact O-N 3.12Å; R624-Q627 VanDerWaalsContact CD-OE1 3.26Å; R624-I628 HydrophobicContact CG-CD1 4.32Å; R624-I628 PolarHBondContact O-N 3.03Å
625F78.6Confident77.6Confident0 Ų042.5 Ų42.50%022%0.221CC..Hα-helixtrans-62.2-54172.1-85.6-97.1000111.1L610 A613 T620 D621 E622 S623 Q627 I628 L629 I652 L656L610-F625 HydrophobicContact CB-CE1 4.25Å; L610-F625 HydrophobicContact CB-CZ 4.15Å; L610-F625 HydrophobicContact CD1-CD1 4.21Å; L610-F625 HydrophobicContact CD1-CE1 4.12Å; L610-F625 HydrophobicContact CD2-CB 4.4Å; L610-F625 HydrophobicContact CD2-CD1 3.78Å; L610-F625 HydrophobicContact CD2-CD2 4.07Å; L610-F625 HydrophobicContact CD2-CE1 4.02Å; L610-F625 HydrophobicContact CD2-CE2 4.28Å; L610-F625 HydrophobicContact CD2-CG 3.82Å; L610-F625 HydrophobicContact CD2-CZ 4.26Å; L610-F625 HydrophobicContact CG-CD1 4.5Å; L610-F625 HydrophobicContact CG-CE1 4.36Å; A613-F625 HydrophobicContact CB-CD2 3.97Å; A613-F625 HydrophobicContact CB-CE2 3.66Å; T620-F625 HydrophobicContact CG2-CD2 3.57Å; T620-F625 HydrophobicContact CG2-CE2 3.58Å; T620-F625 HydrophobicContact CG2-CG 4.42Å; T620-F625 HydrophobicContact CG2-CZ 4.41Å; D621-F625 WeakPolarHBondContact O-CD2 3.44Å; D621-F625 PolarHBondContact O-N 2.99Å; D621-F625 VanDerWaalsContact O-N 3.16Å; E622-F625 PolarHBondContact O-N 2.8Å; S623-F625 PolarHBondContact O-N 3.3Å; F625-Q627 VanDerWaalsContact C-N 3.33Å; F625-Q627 PolarHBondContact O-N 3.11Å; F625-I628 PolarHBondContact O-N 3.19Å; F625-L629 HydrophobicContact CB-CD1 4.11Å; F625-L629 HydrophobicContact CD1-CD1 4.29Å; F625-L629 VanDerWaalsContact O-CB 3.27Å; F625-L629 WeakPolarHBondContact O-CB 3.23Å; F625-L629 VanDerWaalsContact O-CD1 3.28Å; F625-L629 WeakPolarHBondContact O-CD1 3.22Å; F625-L629 WeakPolarHBondContact O-CG 3.47Å; F625-L629 PolarHBondContact O-N 3Å; F625-I652 HydrophobicContact CE1-CD1 3.75Å; F625-I652 HydrophobicContact CZ-CD1 4.39Å; F625-L656 HydrophobicContact CD1-CD1 3.67Å; F625-L656 HydrophobicContact CD1-CD2 3.87Å; F625-L656 HydrophobicContact CD1-CG 4.13Å; F625-L656 HydrophobicContact CE1-CD1 3.51Å; F625-L656 HydrophobicContact CE1-CD2 3.72Å; F625-L656 HydrophobicContact CE1-CG 3.68Å; F625-L656 HydrophobicContact CE2-CD2 4.48Å; F625-L656 HydrophobicContact CG-CD2 4.3Å; F625-L656 HydrophobicContact CZ-CD2 4.05Å; F625-L656 HydrophobicContact CZ-CG 4.23Å
626V75.2Confident78Confident10 Ų1041.7 Ų41.76%0.06122%0.218CC..Hα-helixtrans-53.9-48.2178.6170.40000111.7V583 E622 S623 I628 L629 I630 F676V583-V626 HydrophobicContact CG2-CG1 3.97Å; V583-V626 HydrophobicContact CG2-CG2 3.67Å; E622-V626 WeakPolarHBondContact O-CB 3.37Å; E622-V626 VanDerWaalsContact O-CG2 3.27Å; E622-V626 WeakPolarHBondContact O-CG2 3.49Å; E622-V626 PolarHBondContact O-N 2.97Å; S623-V626 PolarHBondContact O-N 2.85Å; V626-I628 PolarHBondContact O-N 3.47Å; V626-L629 PolarHBondContact O-N 3.44Å; V626-I630 HydrophobicContact CG1-CD1 3.67Å; V626-I630 HydrophobicContact CG1-CG1 4.3Å; V626-I630 WeakPolarHBondContact O-CB 3.38Å; V626-I630 WeakPolarHBondContact O-CG1 3.36Å; V626-I630 PolarHBondContact O-N 3.39Å; V626-F676 HydrophobicContact CG2-CE2 3.46Å; V626-F676 VanDerWaalsContact CG2-CE2 3.46Å; V626-F676 HydrophobicContact CG2-CZ 3.76Å
627Q81.4Confident78.4Confident51 Ų5136 Ų3624%0.23819%0.191CC..Hα-helixtrans-56-48.2-178.9-176.4-173.823.200112.5L138 S623 R624 F625 S631L138-Q627 HydrophobicContact CD1-CB 4.49Å; L138-Q627 HydrophobicContact CD1-CG 4.35Å; S623-Q627 VanDerWaalsContact O-CB 3.3Å; S623-Q627 WeakPolarHBondContact O-CB 3.48Å; S623-Q627 PolarHBondContact O-N 3.38Å; R624-Q627 VanDerWaalsContact CD-OE1 3.26Å; F625-Q627 VanDerWaalsContact C-N 3.33Å; F625-Q627 PolarHBondContact O-N 3.11Å; Q627-S631 WeakPolarHBondContact O-CB 3.5Å; Q627-S631 PolarHBondContact O-N 3.06Å; Q627-S631 PolarHBondContact O-OG 3.47Å
628I85.6Confident79Confident1 Ų134.3 Ų34.31%0.00518%0.182CC..Hα-helixtrans-71.7-46.2-179.7-70.7168.6000110.4D606 N609 L610 R624 F625 V626 I630 R632 L637 L640D606-I628 HydrophobicContact CB-CD1 4.04Å; D606-I628 HydrophobicContact CB-CG1 4.5Å; D606-I628 HydrophobicContact CB-CG2 4.25Å; N609-I628 HydrophobicContact CB-CD1 3.93Å; L610-I628 HydrophobicContact CD1-CG2 4.45Å; L610-I628 HydrophobicContact CD2-CB 4.31Å; L610-I628 HydrophobicContact CD2-CD1 3.67Å; L610-I628 HydrophobicContact CG-CD1 4.04Å; R624-I628 HydrophobicContact CG-CD1 4.32Å; R624-I628 PolarHBondContact O-N 3.03Å; F625-I628 PolarHBondContact O-N 3.19Å; V626-I628 PolarHBondContact O-N 3.47Å; I628-I630 PolarHBondContact O-N 3.4Å; I628-R632 HydrophobicContact CG2-CG 4.14Å; I628-R632 WeakPolarHBondContact O-CB 3.37Å; I628-R632 WeakPolarHBondContact O-CG 3.23Å; I628-R632 PolarHBondContact O-N 3.41Å; I628-L637 HydrophobicContact CG2-CD2 4.12Å; I628-L640 HydrophobicContact CG2-CD1 3.76Å
629L81.5Confident80.3Confident0 Ų029.4 Ų29.40%016%0.156CC..Hα-helixtrans-69.5-27.7-174.3-66.9167000114.2R592 F625 V626 L637 F641 F680 L683R592-L629 VanDerWaalsContact CZ-O 3.32Å; R592-L629 PolarHBondContact NH1-O 3.19Å; R592-L629 PolarHBondContact NH2-O 3.47Å; F625-L629 HydrophobicContact CB-CD1 4.11Å; F625-L629 HydrophobicContact CD1-CD1 4.29Å; F625-L629 VanDerWaalsContact O-CB 3.27Å; F625-L629 WeakPolarHBondContact O-CB 3.23Å; F625-L629 VanDerWaalsContact O-CD1 3.28Å; F625-L629 WeakPolarHBondContact O-CD1 3.22Å; F625-L629 WeakPolarHBondContact O-CG 3.47Å; F625-L629 PolarHBondContact O-N 3Å; V626-L629 PolarHBondContact O-N 3.44Å; L629-L637 HydrophobicContact CD2-CD2 4.3Å; L629-F641 HydrophobicContact CD2-CE1 4.01Å; L629-F641 HydrophobicContact CD2-CZ 3.98Å; L629-F680 HydrophobicContact CD1-CD2 3.53Å; L629-F680 HydrophobicContact CD1-CE2 3.45Å; L629-F680 VanDerWaalsContact CD1-CE2 3.45Å; L629-F680 HydrophobicContact CD2-CE2 3.87Å; L629-F680 HydrophobicContact CG-CE2 4.31Å; L629-L683 HydrophobicContact CB-CD2 3.76Å; L629-L683 HydrophobicContact CD2-CD2 4.45Å
630I80.6Confident81.6Confident18 Ų1827.8 Ų27.89%0.09214%0.14CC..Hα-helixtrans-86.1-42.6176.6-64.9-174.2000111.9V583 A586 L587 R592 V626 I628 Y679V583-I630 HydrophobicContact CB-CD1 4.32Å; V583-I630 HydrophobicContact CG1-CD1 4.35Å; V583-I630 HydrophobicContact CG2-CD1 4.22Å; A586-I630 HydrophobicContact CB-CD1 3.71Å; A586-I630 HydrophobicContact CB-CG2 4.03Å; L587-I630 HydrophobicContact CD2-CG1 4.46Å; L587-I630 HydrophobicContact CD2-CG2 4.39Å; L587-I630 HydrophobicContact CG-CD1 4.44Å; R592-I630 PolarHBondContact NH1-O 3.26Å; V626-I630 HydrophobicContact CG1-CD1 3.67Å; V626-I630 HydrophobicContact CG1-CG1 4.3Å; V626-I630 WeakPolarHBondContact O-CB 3.38Å; V626-I630 WeakPolarHBondContact O-CG1 3.36Å; V626-I630 PolarHBondContact O-N 3.39Å; I628-I630 PolarHBondContact O-N 3.4Å; I630-Y679 WeakPolarHBondContact CG1-OH 3Å
631S84Confident82.4Confident42 Ų4227.5 Ų27.529%0.29414%0.138SC..Hα-helixtrans-78.1-34.9-172.763.30000114.5D593 Q627D593-S631 WeakPolarHBondContact CB-O 3.46Å; D593-S631 PolarHBondContact N-O 2.95Å; Q627-S631 WeakPolarHBondContact O-CB 3.5Å; Q627-S631 PolarHBondContact O-N 3.06Å; Q627-S631 PolarHBondContact O-OG 3.47Å
632R87.2Confident82.9Confident56 Ų5631.2 Ų31.221%0.21115%0.153CC..SBendtrans-79.9153.7-172.1-61.1-65.1-178.1-94.8-2113.2R592 D606 I628 H636 L637R592-R632 PolarHBondContact NH1-O 3.41Å; D606-R632 IonicContact OD1-NH2 3.26Å; D606-R632 IonicContact OD2-CZ 3.78Å; D606-R632 IonicContact OD2-NE 3.57Å; D606-R632 PolarHBondContact OD2-NE 2.81Å; D606-R632 IonicContact OD2-NH2 2.76Å; D606-R632 PolarHBondContact OD2-NH2 3.15Å; I628-R632 HydrophobicContact CG2-CG 4.14Å; I628-R632 WeakPolarHBondContact O-CB 3.37Å; I628-R632 WeakPolarHBondContact O-CG 3.23Å; I628-R632 PolarHBondContact O-N 3.41Å; R632-H636 HydrophobicContact CB-CB 4.39Å; R632-L637 HydrophobicContact CB-CD1 4.15Å; R632-L637 HydrophobicContact CB-CD2 3.8Å; R632-L637 HydrophobicContact CB-CG 3.73Å; R632-L637 HydrophobicContact CG-CD2 4.35Å
633S86.1Confident83.8Confident1 Ų130.4 Ų30.41%0.00715%0.15CC..  trans-70.3155.9175.4820000113.2D593 S595 A635 H636 L637D593-S633 WeakPolarHBondContact O-CA 3.23Å; D593-S633 WeakPolarHBondContact O-CB 2.96Å; D593-S633 PolarHBondContact O-N 3.17Å; S595-S633 VanDerWaalsContact O-CB 3.23Å; S595-S633 WeakPolarHBondContact O-CB 2.97Å; S595-S633 PolarHBondContact O-OG 2.77Å; S633-A635 PolarHBondContact O-N 2.82Å; S633-H636 PolarHBondContact O-N 2.9Å; S633-H636 VanDerWaalsContact O-N 3.16Å; S633-H636 PolarHBondContact OG-N 3.32Å; S633-H636 VanDerWaalsContact OG-N 3.13Å; S633-L637 WeakPolarHBondContact O-CB 3.4Å; S633-L637 WeakPolarHBondContact O-CG 3.46Å; S633-L637 PolarHBondContact O-N 3.24Å
634F84.2Confident84.5Confident28 Ų2828 Ų2812%0.12313%0.133CC..Hα-helixtrans-62.5-34.9176.8-68.4-3.4000111.5L637 R638 I687F634-L637 PolarHBondContact O-N 3.06Å; F634-R638 WeakPolarHBondContact O-CB 3.41Å; F634-R638 WeakPolarHBondContact O-CG 3.35Å; F634-R638 PolarHBondContact O-N 2.81Å; F634-I687 HydrophobicContact CB-CG2 4.45Å; F634-I687 HydrophobicContact CD1-CB 4.42Å; F634-I687 HydrophobicContact CD1-CG1 3.52Å; F634-I687 HydrophobicContact CE1-CG1 3.68Å; F634-I687 HydrophobicContact CG-CG1 4.1Å; F634-I687 HydrophobicContact CZ-CG1 4.38Å
635A82.9Confident84.6Confident16 Ų1627.8 Ų27.813%0.13214%0.142CC..Hα-helixtrans-61.3-45172.800000112L596 V598 S633L596-A635 HydrophobicContact CD2-CB 4.46Å; V598-A635 HydrophobicContact CG2-CB 3.66Å; S633-A635 PolarHBondContact O-N 2.82Å
636H88.9Confident85.1Confident6 Ų632.4 Ų32.43%0.02817%0.17CC..Hα-helixtrans-64.1-47.4174.7177.6102.5000111.8V598 V603 D606 R632 S633 R638 L639 L640V598-H636 HydrophobicContact CG1-CB 4.2Å; V598-H636 HydrophobicContact CG2-CB 4.45Å; V603-H636 WeakPolarHBondContact CG2-ND1 3.43Å; V603-H636 PolarHBondContact N-CE1 3.45Å; D606-H636 IonicContact OD2-NE2 2.66Å; R632-H636 HydrophobicContact CB-CB 4.39Å; S633-H636 PolarHBondContact O-N 2.9Å; S633-H636 VanDerWaalsContact O-N 3.16Å; S633-H636 PolarHBondContact OG-N 3.32Å; S633-H636 VanDerWaalsContact OG-N 3.13Å; H636-R638 PolarHBondContact O-N 3.23Å; H636-L639 PolarHBondContact O-N 3.07Å; H636-L640 WeakPolarHBondContact O-CB 3.26Å; H636-L640 PolarHBondContact O-N 2.86Å
637L87.5Confident85.7Confident0 Ų034 Ų340%018%0.178CC..Hα-helixtrans-67.1-34.1-175.9-70172.6000113I628 L629 R632 S633 F634 L640 F641 I687I628-L637 HydrophobicContact CG2-CD2 4.12Å; L629-L637 HydrophobicContact CD2-CD2 4.3Å; R632-L637 HydrophobicContact CB-CD1 4.15Å; R632-L637 HydrophobicContact CB-CD2 3.8Å; R632-L637 HydrophobicContact CB-CG 3.73Å; R632-L637 HydrophobicContact CG-CD2 4.35Å; S633-L637 WeakPolarHBondContact O-CB 3.4Å; S633-L637 WeakPolarHBondContact O-CG 3.46Å; S633-L637 PolarHBondContact O-N 3.24Å; F634-L637 PolarHBondContact O-N 3.06Å; L637-L640 HydrophobicContact CD2-CD1 4.24Å; L637-L640 PolarHBondContact O-N 3.01Å; L637-F641 HydrophobicContact CB-CE2 4.35Å; L637-F641 HydrophobicContact CB-CZ 4.11Å; L637-F641 WeakPolarHBondContact O-CD1 3.44Å; L637-F641 VanDerWaalsContact O-CD2 3.23Å; L637-F641 WeakPolarHBondContact O-CD2 3.2Å; L637-F641 WeakPolarHBondContact O-CG 3.34Å; L637-F641 PolarHBondContact O-N 3.01Å; L637-I687 HydrophobicContact CB-CD1 4.11Å; L637-I687 HydrophobicContact CB-CG2 3.81Å; L637-I687 HydrophobicContact CD1-CD1 3.53Å; L637-I687 HydrophobicContact CD1-CG1 4.23Å; L637-I687 HydrophobicContact CG-CD1 4.41Å
638R83.4Confident85.6Confident58 Ų5832.3 Ų32.322%0.21917%0.174CC..Hα-helixtrans-57.2-51.5171.3-73.9167.9-166.2136.19.9111.3E432 F634 H636 L640 F641 E642 I687E432-R638 IonicContact OE1-CZ 3.7Å; E432-R638 IonicContact OE1-NH1 3.9Å; E432-R638 PolarHBondContact OE1-NH1 2.85Å; E432-R638 IonicContact OE1-NH2 3.04Å; E432-R638 PolarHBondContact OE1-NH2 3.02Å; E432-R638 IonicContact OE2-CZ 2.99Å; E432-R638 IonicContact OE2-NH1 2.81Å; E432-R638 IonicContact OE2-NH2 3.84Å; E432-R638 PolarHBondContact OE2-NH2 3.36Å; F634-R638 WeakPolarHBondContact O-CB 3.41Å; F634-R638 WeakPolarHBondContact O-CG 3.35Å; F634-R638 PolarHBondContact O-N 2.81Å; H636-R638 PolarHBondContact O-N 3.23Å; R638-L640 VanDerWaalsContact C-N 3.34Å; R638-L640 PolarHBondContact O-N 3.41Å; R638-F641 PolarHBondContact O-N 3.4Å; R638-E642 PolarHBondContact O-N 2.69Å; R638-I687 HydrophobicContact CG-CG2 3.91Å; R638-I687 VanDerWaalsContact CZ-O 3.28Å; R638-I687 PolarHBondContact NE-O 3.34Å; R638-I687 PolarHBondContact NH2-O 2.93Å
639L88Confident85.3Confident56 Ų5640.3 Ų40.329%0.29321%0.209SC..Hα-helixtrans-68.4-32.7179.3-69.5167.7000112.2V598 M600 V603 H636 E642 E643V598-L639 HydrophobicContact CB-CD1 4.11Å; V598-L639 HydrophobicContact CG1-CD1 3.89Å; V598-L639 HydrophobicContact CG2-CD1 4.12Å; M600-L639 HydrophobicContact SD-CD1 3.97Å; V603-L639 HydrophobicContact CG1-CB 4.17Å; V603-L639 HydrophobicContact CG2-CB 4.24Å; H636-L639 PolarHBondContact O-N 3.07Å; L639-E642 PolarHBondContact O-N 3.08Å; L639-E643 WeakPolarHBondContact O-CB 3.49Å; L639-E643 PolarHBondContact O-N 3.27Å
640L89.3Confident85Confident0 Ų043.8 Ų43.80%022%0.224CC..Hα-helixtrans-60.7-44.4170.8-169.7160.5000111.4V603 D606 A607 L610 I628 H636 L637 R638 E642 E643 Y644V603-L640 HydrophobicContact CG1-CB 4.44Å; D606-L640 HydrophobicContact CB-CD1 3.53Å; A607-L640 HydrophobicContact CB-CG 4.3Å; L610-L640 HydrophobicContact CD1-CD2 3.67Å; L610-L640 HydrophobicContact CG-CD2 4.5Å; I628-L640 HydrophobicContact CG2-CD1 3.76Å; H636-L640 WeakPolarHBondContact O-CB 3.26Å; H636-L640 PolarHBondContact O-N 2.86Å; L637-L640 HydrophobicContact CD2-CD1 4.24Å; L637-L640 PolarHBondContact O-N 3.01Å; R638-L640 VanDerWaalsContact C-N 3.34Å; R638-L640 PolarHBondContact O-N 3.41Å; L640-E642 VanDerWaalsContact C-N 3.29Å; L640-E642 PolarHBondContact O-N 3.49Å; L640-E643 PolarHBondContact O-N 3.37Å; L640-Y644 WeakPolarHBondContact O-CB 3.37Å; L640-Y644 PolarHBondContact O-N 3.4Å
641F85.1Confident84.9Confident6 Ų645.4 Ų45.43%0.02623%0.233CC..Hα-helixtrans-67.3-30.8179.6-56.8-24.7000112.7L629 L637 R638 S645 I652 V684 I687 K688L629-F641 HydrophobicContact CD2-CE1 4.01Å; L629-F641 HydrophobicContact CD2-CZ 3.98Å; L637-F641 HydrophobicContact CB-CE2 4.35Å; L637-F641 HydrophobicContact CB-CZ 4.11Å; L637-F641 WeakPolarHBondContact O-CD1 3.44Å; L637-F641 VanDerWaalsContact O-CD2 3.23Å; L637-F641 WeakPolarHBondContact O-CD2 3.2Å; L637-F641 WeakPolarHBondContact O-CG 3.34Å; L637-F641 PolarHBondContact O-N 3.01Å; R638-F641 PolarHBondContact O-N 3.4Å; F641-S645 PolarHBondContact O-N 3.48Å; F641-S645 PolarHBondContact O-OG 3.36Å; F641-I652 HydrophobicContact CB-CG2 4.13Å; F641-I652 HydrophobicContact CD1-CB 4.25Å; F641-I652 HydrophobicContact CD1-CG1 4.24Å; F641-I652 HydrophobicContact CD1-CG2 3.64Å; F641-I652 HydrophobicContact CE1-CG1 4.35Å; F641-I652 HydrophobicContact CE1-CG2 4.16Å; F641-I652 HydrophobicContact CG-CG2 3.85Å; F641-V684 HydrophobicContact CD2-CG1 4.26Å; F641-V684 HydrophobicContact CE1-CG2 4.49Å; F641-V684 HydrophobicContact CE2-CB 4.29Å; F641-V684 HydrophobicContact CE2-CG1 3.82Å; F641-V684 HydrophobicContact CE2-CG2 3.85Å; F641-V684 HydrophobicContact CZ-CG1 4.41Å; F641-V684 HydrophobicContact CZ-CG2 3.63Å; F641-I687 HydrophobicContact CD2-CG2 4.38Å; F641-I687 HydrophobicContact CE2-CB 4.21Å; F641-I687 HydrophobicContact CE2-CD1 4.09Å; F641-I687 HydrophobicContact CE2-CG2 3.71Å; F641-I687 HydrophobicContact CZ-CD1 3.97Å; F641-I687 HydrophobicContact CZ-CG2 4.5Å; F641-K688 HydrophobicContact CD2-CG 4.19Å
642E86.9Confident84.4Confident130 Ų13043.4 Ų43.461%0.60722%0.219SC*.Hα-helixtrans-67.7-53170.4-68.7178-172.200111.1R638 L639 L640 Y644 S645R638-E642 PolarHBondContact O-N 2.69Å; L639-E642 PolarHBondContact O-N 3.08Å; L640-E642 VanDerWaalsContact C-N 3.29Å; L640-E642 PolarHBondContact O-N 3.49Å; E642-Y644 VanDerWaalsContact C-N 3.34Å; E642-Y644 PolarHBondContact O-N 2.89Å; E642-S645 WeakPolarHBondContact O-CB 3.22Å; E642-S645 PolarHBondContact O-N 3.08Å; E642-S645 VanDerWaalsContact O-N 3.1Å
643E89.3Confident83.6Confident40 Ų4043 Ų4319%0.18722%0.219CC..Hα-helixtrans-62-40179.5-173.666.4-172.700112V603 R604 A607 L639 L640 S645 T646V603-E643 HydrophobicContact CG1-CB 4.04Å; R604-E643 HydrophobicContact CG-CG 4.09Å; R604-E643 WeakPolarHBondContact CG-OE1 3.45Å; R604-E643 IonicContact CZ-OE1 3.47Å; R604-E643 IonicContact NH1-OE1 3.44Å; R604-E643 PolarHBondContact NH1-OE1 2.74Å; A607-E643 HydrophobicContact CB-CB 4.14Å; A607-E643 HydrophobicContact CB-CG 3.94Å; L639-E643 WeakPolarHBondContact O-CB 3.49Å; L639-E643 PolarHBondContact O-N 3.27Å; L640-E643 PolarHBondContact O-N 3.37Å; E643-S645 PolarHBondContact O-N 3.37Å; E643-T646 WeakPolarHBondContact O-CB 3.16Å; E643-T646 PolarHBondContact O-N 3.23Å; E643-T646 PolarHBondContact O-OG1 3.02Å
644Y86.8Confident82.9Confident0 Ų046.2 Ų46.20%024%0.236CC..Hα-helixtrans-55.7-40.7174.6-170.3-82.8000111.7L610 L640 E642 T646 I647 G648 I652 T655L610-Y644 HydrophobicContact CB-CD2 3.96Å; L610-Y644 HydrophobicContact CB-CE2 3.66Å; L640-Y644 WeakPolarHBondContact O-CB 3.37Å; L640-Y644 PolarHBondContact O-N 3.4Å; E642-Y644 VanDerWaalsContact C-N 3.34Å; E642-Y644 PolarHBondContact O-N 2.89Å; Y644-T646 PolarHBondContact O-N 2.92Å; Y644-T646 VanDerWaalsContact O-N 3.14Å; Y644-I647 VanDerWaalsContact O-CG1 3.31Å; Y644-I647 WeakPolarHBondContact O-CG1 3.41Å; Y644-I647 PolarHBondContact O-N 3.48Å; Y644-I647 VanDerWaalsContact O-N 3.12Å; Y644-G648 PolarHBondContact O-N 3.36Å; Y644-I652 HydrophobicContact CD1-CB 4.05Å; Y644-I652 HydrophobicContact CD1-CD1 3.96Å; Y644-I652 HydrophobicContact CD2-CD1 3.66Å; Y644-I652 HydrophobicContact CE1-CB 4.43Å; Y644-I652 HydrophobicContact CE1-CD1 3.88Å; Y644-I652 HydrophobicContact CE2-CD1 3.53Å; Y644-I652 HydrophobicContact CG-CB 4.35Å; Y644-I652 HydrophobicContact CG-CD1 3.86Å; Y644-T655 WeakPolarHBondContact CE1-OG1 3.48Å; Y644-T655 WeakPolarHBondContact OH-CG2 3.41Å; Y644-T655 PolarHBondContact OH-OG1 2.73Å
645S85.1Confident82.2Confident64 Ų6444.9 Ų44.945%0.44823%0.231SC..Hα-helixtrans-69.2-7.4178.6-55.30000113.3F641 E642 E643F641-S645 PolarHBondContact O-N 3.48Å; F641-S645 PolarHBondContact O-OG 3.36Å; E642-S645 WeakPolarHBondContact O-CB 3.22Å; E642-S645 PolarHBondContact O-N 3.08Å; E642-S645 VanDerWaalsContact O-N 3.1Å; E643-S645 PolarHBondContact O-N 3.37Å
646T87.9Confident81.3Confident97 Ų9744.2 Ų44.260%0.59523%0.225SC*.Hα-helixtrans-92.8-22.1172.277.90000113.6E643 Y644E643-T646 WeakPolarHBondContact O-CB 3.16Å; E643-T646 PolarHBondContact O-N 3.23Å; E643-T646 PolarHBondContact O-OG1 3.02Å; Y644-T646 PolarHBondContact O-N 2.92Å; Y644-T646 VanDerWaalsContact O-N 3.14Å
647I87.9Confident80.1Confident44 Ų4448.5 Ų48.523%0.22624%0.244CC..Hα-helixtrans-108.9-31.8-176.559.1172.1000113.5A607 E608 Y611 Y644A607-I647 VanDerWaalsContact C-CD1 3.43Å; A607-I647 HydrophobicContact CB-CD1 3.85Å; A607-I647 WeakPolarHBondContact O-CD1 3.5Å; E608-I647 HydrophobicContact CG-CD1 4.28Å; Y611-I647 HydrophobicContact CG-CD1 4.38Å; Y644-I647 VanDerWaalsContact O-CG1 3.31Å; Y644-I647 WeakPolarHBondContact O-CG1 3.41Å; Y644-I647 PolarHBondContact O-N 3.48Å; Y644-I647 VanDerWaalsContact O-N 3.12Å
648G80.1Confident78.9Confident16 Ų1650.3 Ų50.317%0.16526%0.256CS..SBendtrans-82160.617800000112.8Y644 K650Y644-G648 PolarHBondContact O-N 3.36Å; G648-K650 VanDerWaalsContact C-N 3.34Å
649K78.3Confident77.7Confident169 Ų16949.7 Ų49.774%0.73526%0.255SS*.SBendtrans-81.9-19.8172-60.9165.8-171.2154.60111.7E615E615-K649 PolarHBondContact OE1-N 3.4Å; E615-K649 VanDerWaalsContact OE2-CB 3.29Å; E615-K649 WeakPolarHBondContact OE2-CB 3.43Å; E615-K649 WeakPolarHBondContact OE2-CG 3.45Å; E615-K649 PolarHBondContact OE2-N 2.63Å
650K75.8Confident75.7Confident72 Ų7248.5 Ų48.531%0.31325%0.249SC..SBendtrans-124.4159.9178.5-54.7157.6-167.3162.90108.2E615 G648 D654 S658 E659E615-K650 WeakPolarHBondContact OE1-CB 3.35Å; E615-K650 PolarHBondContact OE1-N 3.05Å; E615-K650 VanDerWaalsContact OE1-N 3.1Å; G648-K650 VanDerWaalsContact C-N 3.34Å; K650-D654 HydrophobicContact CB-CB 4.09Å; K650-S658 WeakPolarHBondContact CD-OG 3.4Å; K650-S658 VanDerWaalsContact CE-OG 3.28Å; K650-S658 WeakPolarHBondContact CE-OG 3.38Å; K650-S658 PolarHBondContact NZ-OG 3.22Å; K650-E659 IonicContact NZ-OE1 3.46Å; K650-E659 PolarHBondContact NZ-OE1 3.44Å
651N78Confident73.5Confident53 Ų5352.9 Ų52.928%0.28327%0.269SS..  trans-69.4159.3163.660.468.6000109.2E653 D654 T655N651-E653 PolarHBondContact O-N 3.45Å; N651-E653 VanDerWaalsContact O-N 3.09Å; N651-E653 PolarHBondContact OD1-N 3.29Å; N651-D654 PolarHBondContact ND2-OD2 3.37Å; N651-D654 CarbonylContact O-C 3.5Å; N651-D654 PolarHBondContact O-N 3.3Å; N651-D654 WeakPolarHBondContact OD1-CB 3.22Å; N651-D654 PolarHBondContact OD1-N 3.15Å; N651-D654 PolarHBondContact OD1-OD2 3.46Å; N651-T655 PolarHBondContact O-N 2.72Å; N651-T655 PolarHBondContact O-OG1 2.84Å
652I73.6Confident71.1Confident0 Ų054.3 Ų54.30%029%0.286CS..Hα-helixtrans-54-35.6-174.5-16569.2000113.4L610 F625 F641 Y644 L656 F680L610-I652 HydrophobicContact CB-CD1 4.3Å; L610-I652 HydrophobicContact CD1-CD1 3.84Å; F625-I652 HydrophobicContact CE1-CD1 3.75Å; F625-I652 HydrophobicContact CZ-CD1 4.39Å; F641-I652 HydrophobicContact CB-CG2 4.13Å; F641-I652 HydrophobicContact CD1-CB 4.25Å; F641-I652 HydrophobicContact CD1-CG1 4.24Å; F641-I652 HydrophobicContact CD1-CG2 3.64Å; F641-I652 HydrophobicContact CE1-CG1 4.35Å; F641-I652 HydrophobicContact CE1-CG2 4.16Å; F641-I652 HydrophobicContact CG-CG2 3.85Å; Y644-I652 HydrophobicContact CD1-CB 4.05Å; Y644-I652 HydrophobicContact CD1-CD1 3.96Å; Y644-I652 HydrophobicContact CD2-CD1 3.66Å; Y644-I652 HydrophobicContact CE1-CB 4.43Å; Y644-I652 HydrophobicContact CE1-CD1 3.88Å; Y644-I652 HydrophobicContact CE2-CD1 3.53Å; Y644-I652 HydrophobicContact CG-CB 4.35Å; Y644-I652 HydrophobicContact CG-CD1 3.86Å; I652-L656 HydrophobicContact CG1-CD1 4.39Å; I652-L656 PolarHBondContact O-N 2.83Å; I652-L656 VanDerWaalsContact O-N 3.08Å; I652-F680 HydrophobicContact CG1-CZ 4.02Å; I652-F680 HydrophobicContact CG2-CZ 4.43Å
653E70.2Confident68.5Low47 Ų4753.9 Ų53.922%0.2229%0.288CS..Hα-helixtrans-71.4-38.5178.3-58.3110.9111.300112.7N651 K657 F680 V684 K688N651-E653 PolarHBondContact O-N 3.45Å; N651-E653 VanDerWaalsContact O-N 3.09Å; N651-E653 PolarHBondContact OD1-N 3.29Å; E653-K657 WeakPolarHBondContact O-CB 3.27Å; E653-K657 WeakPolarHBondContact O-CD 3.24Å; E653-K657 WeakPolarHBondContact O-CE 3.47Å; E653-K657 WeakPolarHBondContact O-CG 3.46Å; E653-K657 PolarHBondContact O-N 2.68Å; E653-F680 HydrophobicContact CG-CE1 4.27Å; E653-V684 HydrophobicContact CG-CG1 3.89Å; E653-K688 IonicContact OE1-NZ 3.5Å; E653-K688 PolarHBondContact OE1-NZ 3.24Å; E653-K688 IonicContact OE2-NZ 3.8Å; E653-K688 PolarHBondContact OE2-NZ 3.01Å
654D71.8Confident65.9Low68 Ų6854.1 Ų54.136%0.36429%0.292SS..Hα-helixtrans-79.7-29.6178-68.6-22.8000111.8K650 N651 K657 S658K650-D654 HydrophobicContact CB-CB 4.09Å; N651-D654 PolarHBondContact ND2-OD2 3.37Å; N651-D654 CarbonylContact O-C 3.5Å; N651-D654 PolarHBondContact O-N 3.3Å; N651-D654 WeakPolarHBondContact OD1-CB 3.22Å; N651-D654 PolarHBondContact OD1-N 3.15Å; N651-D654 PolarHBondContact OD1-OD2 3.46Å; D654-K657 IonicContact OD1-NZ 3.75Å; D654-K657 PolarHBondContact OD1-NZ 3.26Å; D654-S658 WeakPolarHBondContact O-CB 3.27Å; D654-S658 PolarHBondContact O-N 2.68Å; D654-S658 PolarHBondContact O-OG 2.99Å
655T68.9Low63.3Low1 Ų155 Ų551%0.00630%0.296CS..Hα-helixtrans-55.3-63.5164.4-54.80000108.9E615 Y644 N651 K657 S658 E659E615-T655 HydrophobicContact CG-CG2 3.57Å; E615-T655 PolarHBondContact OE1-OG1 3.26Å; Y644-T655 WeakPolarHBondContact CE1-OG1 3.48Å; Y644-T655 WeakPolarHBondContact OH-CG2 3.41Å; Y644-T655 PolarHBondContact OH-OG1 2.73Å; N651-T655 PolarHBondContact O-N 2.72Å; N651-T655 PolarHBondContact O-OG1 2.84Å; T655-K657 VanDerWaalsContact C-N 3.34Å; T655-K657 PolarHBondContact O-N 2.79Å; T655-S658 PolarHBondContact O-N 3.37Å; T655-S658 PolarHBondContact O-OG 2.98Å; T655-E659 HydrophobicContact CG2-CG 3.75Å; T655-E659 WeakPolarHBondContact O-CG 3.43Å; T655-E659 PolarHBondContact O-N 2.85Å
656L64.8Low61.2Low2 Ų260.8 Ų60.81%0.0131%0.308CS..Hα-helixtrans-63.5-35.3-175.7-79.2160.4000113.6T620 F625 I652 M660 F680T620-L656 HydrophobicContact CG2-CD2 4.1Å; F625-L656 HydrophobicContact CD1-CD1 3.67Å; F625-L656 HydrophobicContact CD1-CD2 3.87Å; F625-L656 HydrophobicContact CD1-CG 4.13Å; F625-L656 HydrophobicContact CE1-CD1 3.51Å; F625-L656 HydrophobicContact CE1-CD2 3.72Å; F625-L656 HydrophobicContact CE1-CG 3.68Å; F625-L656 HydrophobicContact CE2-CD2 4.48Å; F625-L656 HydrophobicContact CG-CD2 4.3Å; F625-L656 HydrophobicContact CZ-CD2 4.05Å; F625-L656 HydrophobicContact CZ-CG 4.23Å; I652-L656 HydrophobicContact CG1-CD1 4.39Å; I652-L656 PolarHBondContact O-N 2.83Å; I652-L656 VanDerWaalsContact O-N 3.08Å; L656-M660 HydrophobicContact CD2-SD 4.2Å; L656-M660 VanDerWaalsContact O-CB 3.23Å; L656-M660 WeakPolarHBondContact O-CB 3.34Å; L656-M660 WeakPolarHBondContact O-CG 3.38Å; L656-M660 PolarHBondContact O-N 3.37Å; L656-F680 HydrophobicContact CB-CD1 4.38Å; L656-F680 HydrophobicContact CB-CE1 4.33Å; L656-F680 HydrophobicContact CD1-CD1 3.68Å; L656-F680 HydrophobicContact CD1-CD2 3.54Å; L656-F680 HydrophobicContact CD1-CE1 3.35Å; L656-F680 HydrophobicContact CD1-CE2 3.2Å; L656-F680 HydrophobicContact CD1-CG 3.77Å; L656-F680 HydrophobicContact CD1-CZ 3.08Å; L656-F680 HydrophobicContact CG-CE1 4.5Å; L656-F680 HydrophobicContact CG-CZ 4.49Å
657K63.4Low58.6Low96 Ų9658.1 Ų58.142%0.41730%0.297SS..Hα-helixtrans-58.1-51168-74.6168.1-145154.90110.6E653 D654 T655 M660 H661E653-K657 WeakPolarHBondContact O-CB 3.27Å; E653-K657 WeakPolarHBondContact O-CD 3.24Å; E653-K657 WeakPolarHBondContact O-CE 3.47Å; E653-K657 WeakPolarHBondContact O-CG 3.46Å; E653-K657 PolarHBondContact O-N 2.68Å; D654-K657 IonicContact OD1-NZ 3.75Å; D654-K657 PolarHBondContact OD1-NZ 3.26Å; T655-K657 VanDerWaalsContact C-N 3.34Å; T655-K657 PolarHBondContact O-N 2.79Å; K657-M660 CarbonylContact O-C 3.59Å; K657-M660 PolarHBondContact O-N 2.62Å; K657-H661 WeakPolarHBondContact O-CB 3.4Å; K657-H661 VanDerWaalsContact O-CG 3.26Å; K657-H661 PolarHBondContact O-N 3.02Å; K657-H661 VanDerWaalsContact O-N 3.1Å; K657-H661 PolarHBondContact O-ND1 2.85Å
658S62.8Low55.9Low37 Ų3760.7 Ų60.726%0.25931%0.306SS..Hα-helixtrans-73.4-45.2-171.764.20000114.5K650 D654 T655 M660 H661 G662K650-S658 WeakPolarHBondContact CD-OG 3.4Å; K650-S658 VanDerWaalsContact CE-OG 3.28Å; K650-S658 WeakPolarHBondContact CE-OG 3.38Å; K650-S658 PolarHBondContact NZ-OG 3.22Å; D654-S658 WeakPolarHBondContact O-CB 3.27Å; D654-S658 PolarHBondContact O-N 2.68Å; D654-S658 PolarHBondContact O-OG 2.99Å; T655-S658 PolarHBondContact O-N 3.37Å; T655-S658 PolarHBondContact O-OG 2.98Å; S658-M660 PolarHBondContact O-N 3.07Å; S658-M660 VanDerWaalsContact O-N 3.17Å; S658-H661 PolarHBondContact O-N 3.39Å; S658-G662 PolarHBondContact O-N 3.32Å; S658-G662 VanDerWaalsContact O-N 3.09Å
659E58.1Low53.6Low45 Ų4564.9 Ų64.921%0.2132%0.324CS..Hα-helixtrans-65.8-15.1176.9-54.4-49.6135.600112K650 T655K650-E659 IonicContact NZ-OE1 3.46Å; K650-E659 PolarHBondContact NZ-OE1 3.44Å; T655-E659 HydrophobicContact CG2-CG 3.75Å; T655-E659 WeakPolarHBondContact O-CG 3.43Å; T655-E659 PolarHBondContact O-N 2.85Å
660M45.9Very low51.9Low32 Ų3259 Ų5916%0.15830%0.304CS..THydrogen-bonded Turntrans-1098.8173.6-52.7-18085.700113.5L656 K657 S658 I673 F676 L677L656-M660 HydrophobicContact CD2-SD 4.2Å; L656-M660 VanDerWaalsContact O-CB 3.23Å; L656-M660 WeakPolarHBondContact O-CB 3.34Å; L656-M660 WeakPolarHBondContact O-CG 3.38Å; L656-M660 PolarHBondContact O-N 3.37Å; K657-M660 CarbonylContact O-C 3.59Å; K657-M660 PolarHBondContact O-N 2.62Å; S658-M660 PolarHBondContact O-N 3.07Å; S658-M660 VanDerWaalsContact O-N 3.17Å; M660-I673 HydrophobicContact CB-CG2 4.42Å; M660-I673 HydrophobicContact CE-CG1 4.46Å; M660-I673 HydrophobicContact CE-CG2 3.99Å; M660-F676 HydrophobicContact CE-CB 4.37Å; M660-F676 HydrophobicContact CE-CD1 3.59Å; M660-F676 HydrophobicContact CE-CE1 4.31Å; M660-F676 HydrophobicContact CE-CG 4.31Å; M660-F676 HydrophobicContact SD-CD1 4.05Å; M660-F676 HydrophobicContact SD-CE1 4.49Å; M660-L677 HydrophobicContact CB-CD1 4.27Å; M660-L677 HydrophobicContact CB-CD2 4.25Å; M660-L677 HydrophobicContact CE-CG 4.32Å; M660-L677 HydrophobicContact CG-CD2 4.47Å; M660-L677 HydrophobicContact SD-CD2 3.56Å; M660-L677 VanDerWaalsContact SD-CD2 3.56Å; M660-L677 HydrophobicContact SD-CG 3.88Å
661H41.9Very low50.5Low91 Ų9159.1 Ų59.142%0.42131%0.308SS..THydrogen-bonded Turntrans-130.7-3.1177.9-76.882.2000115.3K657 S658K657-H661 WeakPolarHBondContact O-CB 3.4Å; K657-H661 VanDerWaalsContact O-CG 3.26Å; K657-H661 PolarHBondContact O-N 3.02Å; K657-H661 VanDerWaalsContact O-N 3.1Å; K657-H661 PolarHBondContact O-ND1 2.85Å; S658-H661 PolarHBondContact O-N 3.39Å
662G35.8Very low49.2Very low37 Ų3758.5 Ų58.538%0.38130%0.303SS..  trans-146.8136.3163.500000107.8S658S658-G662 PolarHBondContact O-N 3.32Å; S658-G662 VanDerWaalsContact O-N 3.09Å
663D32.4Very low48Very low121 Ų12162 Ų6265%0.64732%0.321SS*.SBendcis-112.2102.739.2-91.6-33.1000114.7I335I335-D663 HydrophobicContact CG2-CB 3.55Å
664T34.6Very low47.2Very low45 Ų4564.5 Ų64.528%0.27634%0.335SS..SBendtrans54.4157.7177.346.40000120.2I335 S336 H351I335-T664 HydrophobicContact CB-CG2 3.68Å; I335-T664 WeakPolarHBondContact CB-OG1 3.32Å; I335-T664 HydrophobicContact CD1-CG2 3.66Å; I335-T664 HydrophobicContact CG1-CG2 4.3Å; I335-T664 HydrophobicContact CG2-CG2 3.65Å; I335-T664 WeakPolarHBondContact CG2-OG1 3.36Å; I335-T664 PolarHBondContact O-OG1 3.2Å; S336-T664 WeakPolarHBondContact CB-OG1 3.23Å; S336-T664 PolarHBondContact N-OG1 2.74Å; S336-T664 VanDerWaalsContact N-OG1 3.13Å; S336-T664 VanDerWaalsContact OG-CB 3.24Å; S336-T664 WeakPolarHBondContact OG-CB 3.26Å; S336-T664 PolarHBondContact OG-OG1 3.47Å; H351-T664 HydrophobicContact CB-CG2 3.97Å
665L32.1Very low46.6Very low17 Ų1763.2 Ų63.29%0.08933%0.327CS..  trans48.772.2178.4-67.7170.8000112.5S336 D338 T349 H351 A667S336-L665 WeakPolarHBondContact OG-CB 3.48Å; S336-L665 WeakPolarHBondContact OG-CD1 3.32Å; S336-L665 WeakPolarHBondContact OG-CG 3.32Å; D338-L665 HydrophobicContact CB-CD1 3.84Å; D338-L665 WeakPolarHBondContact OD1-CB 3.3Å; D338-L665 WeakPolarHBondContact OD1-CD1 3.31Å; D338-L665 WeakPolarHBondContact OD2-CB 3.3Å; D338-L665 WeakPolarHBondContact OD2-CD1 3.34Å; D338-L665 WeakPolarHBondContact OD2-CD2 3.23Å; T349-L665 HydrophobicContact CG2-CD1 4.42Å; T349-L665 WeakPolarHBondContact O-CD1 3.39Å; H351-L665 VanDerWaalsContact CE1-CD2 3.44Å; H351-L665 WeakPolarHBondContact CE1-CD2 3.38Å; H351-L665 WeakPolarHBondContact NE2-CD2 3.22Å; L665-A667 HydrophobicContact CD2-CB 3.39Å; L665-A667 PolarHBondContact O-N 2.6Å
666R39.9Very low46.2Very low186 Ų18663.4 Ų63.470%0.70233%0.328SS*.THydrogen-bonded Turn30.2-751.7-126.8-176.6-167.7140.35.6118.9
667A33.5Very low46.1Very low42 Ų4264.5 Ų64.535%0.34733%0.333SS..THydrogen-bonded Turntrans-122.9-25.6165.700000112.4P200 L665 L669P200-A667 HydrophobicContact CG-CB 4.1Å; L665-A667 HydrophobicContact CD2-CB 3.39Å; L665-A667 PolarHBondContact O-N 2.6Å; A667-L669 PolarHBondContact O-N 2.97Å
668F32Very low46Very low97 Ų9761.4 Ų61.443%0.42532%0.323SS..SBendtrans-71.664.4145.1-75.5-26.1000111.7D338 S670D338-F668 HydrophobicContact CB-CD1 4.2Å; D338-F668 HydrophobicContact CB-CD2 4.01Å; D338-F668 HydrophobicContact CB-CE1 3.95Å; D338-F668 HydrophobicContact CB-CE2 3.77Å; D338-F668 HydrophobicContact CB-CG 4.24Å; D338-F668 HydrophobicContact CB-CZ 3.75Å; D338-F668 VanDerWaalsContact CG-CG 3.43Å; D338-F668 WeakPolarHBondContact OD1-CD2 3.46Å; D338-F668 WeakPolarHBondContact OD1-CE2 3.45Å; D338-F668 WeakPolarHBondContact OD2-CG 3.27Å; D338-F668 PolarHBondContact OD2-N 2.79Å; F668-S670 PolarHBondContact O-N 2.86Å
669L31.8Very low46.3Very low104 Ų10459.7 Ų59.755%0.54531%0.311SS..  trans-7169.3167.4-116.6160.5000108.9A667 I671A667-L669 PolarHBondContact O-N 2.97Å; L669-I671 PolarHBondContact O-N 3.35Å; L669-I671 VanDerWaalsContact O-N 3.13Å
670S41.6Very low46.9Very low45 Ų4557.9 Ų57.932%0.31530%0.303SS..  trans-60121173.467.30000107.9F668 E672 I673 L674F668-S670 PolarHBondContact O-N 2.86Å; S670-E672 PolarHBondContact O-N 3.13Å; S670-I673 PolarHBondContact O-N 3.15Å; S670-I673 WeakPolarHBondContact OG-CD1 3.42Å; S670-I673 WeakPolarHBondContact OG-CG1 3.41Å; S670-L674 PolarHBondContact O-N 3.35Å
671I48.1Very low48Very low76 Ų7660.2 Ų60.239%0.3931%0.31SS..Hα-helixtrans-52.9-32.7-177.6-74.8173.2000110.5F183 L669 L674 F675F183-I671 HydrophobicContact CE2-CD1 3.61Å; F183-I671 HydrophobicContact CE2-CG1 4.37Å; F183-I671 HydrophobicContact CZ-CD1 3.82Å; F183-I671 HydrophobicContact CZ-CG1 4.19Å; L669-I671 PolarHBondContact O-N 3.35Å; L669-I671 VanDerWaalsContact O-N 3.13Å; I671-L674 PolarHBondContact O-N 3.09Å; I671-F675 HydrophobicContact CG2-CD1 4.43Å; I671-F675 HydrophobicContact CG2-CD2 3.79Å; I671-F675 HydrophobicContact CG2-CE1 3.86Å; I671-F675 HydrophobicContact CG2-CE2 3.14Å; I671-F675 HydrophobicContact CG2-CG 4.4Å; I671-F675 HydrophobicContact CG2-CZ 3.16Å; I671-F675 WeakPolarHBondContact O-CD2 3.38Å; I671-F675 VanDerWaalsContact O-CG 3.24Å; I671-F675 WeakPolarHBondContact O-CG 3.29Å; I671-F675 PolarHBondContact O-N 3.25Å
672E48.9Very low49.5Very low39 Ų3955.9 Ų55.918%0.18229%0.291CS..Hα-helixtrans-62.9-39.6176.2-57.8-177.3138.300114.7S577 R578 S670 L674 F675 F676S577-E672 WeakPolarHBondContact CB-OE1 3.48Å; S577-E672 PolarHBondContact OG-OE1 3.47Å; R578-E672 WeakPolarHBondContact CB-OE1 3.4Å; R578-E672 VanDerWaalsContact CD-OE1 3.26Å; R578-E672 WeakPolarHBondContact CD-OE1 3.34Å; R578-E672 VanDerWaalsContact CD-OE2 3.31Å; R578-E672 WeakPolarHBondContact CD-OE2 3.33Å; R578-E672 WeakPolarHBondContact CG-OE1 3.43Å; R578-E672 IonicContact CZ-OE1 3.91Å; R578-E672 IonicContact CZ-OE2 3.64Å; R578-E672 IonicContact NE-OE1 2.72Å; R578-E672 PolarHBondContact NE-OE1 3.28Å; R578-E672 IonicContact NE-OE2 2.81Å; R578-E672 PolarHBondContact NE-OE2 2.81Å; R578-E672 IonicContact NH1-OE2 2.67Å; R578-E672 PolarHBondContact NH1-OE2 2.88Å; S670-E672 PolarHBondContact O-N 3.13Å; E672-L674 VanDerWaalsContact C-N 3.34Å; E672-F675 PolarHBondContact O-N 3.44Å; E672-F676 WeakPolarHBondContact O-CB 3.42Å; E672-F676 PolarHBondContact O-N 3.4Å
673I49.6Very low51.3Low75 Ų7554.1 Ų54.139%0.38527%0.272SS..Hα-helixtrans-67-40175.9-74.1173.6000109.9M660 S670 F676 L677M660-I673 HydrophobicContact CB-CG2 4.42Å; M660-I673 HydrophobicContact CE-CG1 4.46Å; M660-I673 HydrophobicContact CE-CG2 3.99Å; S670-I673 PolarHBondContact O-N 3.15Å; S670-I673 WeakPolarHBondContact OG-CD1 3.42Å; S670-I673 WeakPolarHBondContact OG-CG1 3.41Å; I673-F676 PolarHBondContact O-N 3.04Å; I673-L677 HydrophobicContact CG2-CD1 3.87Å; I673-L677 HydrophobicContact CG2-CG 4.49Å; I673-L677 WeakPolarHBondContact O-CB 3.41Å; I673-L677 WeakPolarHBondContact O-CG 3.3Å; I673-L677 PolarHBondContact O-N 3.41Å
674L52.6Low53.3Low98 Ų9848.5 Ų48.551%0.51324%0.242SC..Hα-helixtrans-65.3-40177-168.867.8000111.5S670 I671 E672 L677 S678S670-L674 PolarHBondContact O-N 3.35Å; I671-L674 PolarHBondContact O-N 3.09Å; E672-L674 VanDerWaalsContact C-N 3.34Å; L674-L677 PolarHBondContact O-N 3.16Å; L674-S678 PolarHBondContact O-N 2.75Å
675F60.7Low55.3Low41 Ų4147.3 Ų47.318%0.1824%0.236CC..Hα-helixtrans-65.9-42.6173.3-64.9-22.6000112.7E537 F580 I671 E672 L677 S678 Y679E537-F675 HydrophobicContact CB-CD1 4.2Å; E537-F675 HydrophobicContact CB-CE1 4.23Å; E537-F675 HydrophobicContact CG-CD1 3.91Å; E537-F675 HydrophobicContact CG-CD2 4.2Å; E537-F675 HydrophobicContact CG-CE1 3.6Å; E537-F675 HydrophobicContact CG-CE2 3.87Å; E537-F675 HydrophobicContact CG-CG 4.21Å; E537-F675 HydrophobicContact CG-CZ 3.59Å; E537-F675 WeakPolarHBondContact OE1-CZ 3.44Å; E537-F675 WeakPolarHBondContact OE2-CE1 3.32Å; F580-F675 HydrophobicContact CD1-CD2 4.21Å; F580-F675 HydrophobicContact CD2-CB 4.37Å; F580-F675 HydrophobicContact CG-CB 4.24Å; I671-F675 HydrophobicContact CG2-CD1 4.43Å; I671-F675 HydrophobicContact CG2-CD2 3.79Å; I671-F675 HydrophobicContact CG2-CE1 3.86Å; I671-F675 HydrophobicContact CG2-CE2 3.14Å; I671-F675 HydrophobicContact CG2-CG 4.4Å; I671-F675 HydrophobicContact CG2-CZ 3.16Å; I671-F675 WeakPolarHBondContact O-CD2 3.38Å; I671-F675 VanDerWaalsContact O-CG 3.24Å; I671-F675 WeakPolarHBondContact O-CG 3.29Å; I671-F675 PolarHBondContact O-N 3.25Å; E672-F675 PolarHBondContact O-N 3.44Å; F675-L677 VanDerWaalsContact C-N 3.32Å; F675-L677 PolarHBondContact O-N 2.91Å; F675-S678 PolarHBondContact O-N 3.47Å; F675-Y679 VanDerWaalsContact O-CB 3.31Å; F675-Y679 WeakPolarHBondContact O-CB 3.43Å; F675-Y679 PolarHBondContact O-N 3.44Å
676F59.3Low57.5Low6 Ų646.5 Ų46.53%0.02623%0.232CC..Hα-helixtrans-63.1-39.4176.6-167.2-93.6000111.8H579 V583 E622 V626 M660 E672 I673 F680H579-F676 HydrophobicContact CB-CD2 3.95Å; H579-F676 HydrophobicContact CB-CE2 4.21Å; V583-F676 HydrophobicContact CG2-CE2 4.36Å; E622-F676 HydrophobicContact CB-CE2 4.38Å; E622-F676 HydrophobicContact CB-CZ 4.05Å; E622-F676 HydrophobicContact CG-CE1 4.4Å; E622-F676 HydrophobicContact CG-CZ 4.35Å; V626-F676 HydrophobicContact CG2-CE2 3.46Å; V626-F676 VanDerWaalsContact CG2-CE2 3.46Å; V626-F676 HydrophobicContact CG2-CZ 3.76Å; M660-F676 HydrophobicContact CE-CB 4.37Å; M660-F676 HydrophobicContact CE-CD1 3.59Å; M660-F676 HydrophobicContact CE-CE1 4.31Å; M660-F676 HydrophobicContact CE-CG 4.31Å; M660-F676 HydrophobicContact SD-CD1 4.05Å; M660-F676 HydrophobicContact SD-CE1 4.49Å; E672-F676 WeakPolarHBondContact O-CB 3.42Å; E672-F676 PolarHBondContact O-N 3.4Å; I673-F676 PolarHBondContact O-N 3.04Å; F676-F680 WeakPolarHBondContact O-CB 3.34Å; F676-F680 PolarHBondContact O-N 3.2Å
677L62.1Low59.2Low25 Ų2537.7 Ų37.713%0.13120%0.198CC..Hα-helixtrans-68.3-40.4173.8-76.1167.4000112.9M660 I673 L674 F675 F680 Y681M660-L677 HydrophobicContact CB-CD1 4.27Å; M660-L677 HydrophobicContact CB-CD2 4.25Å; M660-L677 HydrophobicContact CE-CG 4.32Å; M660-L677 HydrophobicContact CG-CD2 4.47Å; M660-L677 HydrophobicContact SD-CD2 3.56Å; M660-L677 VanDerWaalsContact SD-CD2 3.56Å; M660-L677 HydrophobicContact SD-CG 3.88Å; I673-L677 HydrophobicContact CG2-CD1 3.87Å; I673-L677 HydrophobicContact CG2-CG 4.49Å; I673-L677 WeakPolarHBondContact O-CB 3.41Å; I673-L677 WeakPolarHBondContact O-CG 3.3Å; I673-L677 PolarHBondContact O-N 3.41Å; L674-L677 PolarHBondContact O-N 3.16Å; F675-L677 VanDerWaalsContact C-N 3.32Å; F675-L677 PolarHBondContact O-N 2.91Å; L677-F680 PolarHBondContact O-N 3.22Å; L677-Y681 VanDerWaalsContact O-CB 3.31Å; L677-Y681 WeakPolarHBondContact O-CB 3.42Å; L677-Y681 PolarHBondContact O-N 3.37Å
678S62.8Low61.4Low30 Ų3040 Ų4021%0.2120%0.2CC..Hα-helixtrans-64.3-45.2173.9-164.90000110.7D538 L674 F675 F680 Y681 I682D538-S678 PolarHBondContact OD1-OG 2.86Å; L674-S678 PolarHBondContact O-N 2.75Å; F675-S678 PolarHBondContact O-N 3.47Å; S678-F680 PolarHBondContact O-N 3.23Å; S678-Y681 PolarHBondContact O-N 2.99Å; S678-I682 WeakPolarHBondContact O-CB 3.44Å; S678-I682 VanDerWaalsContact O-CG1 3.25Å; S678-I682 WeakPolarHBondContact O-CG1 3.2Å; S678-I682 PolarHBondContact O-N 2.61Å
679Y68.5Low63.9Low1 Ų137.1 Ų37.10%0.00419%0.19CC..Hα-helixtrans-52.9-55.5172.3161.5-112.4000111.8I541 V583 L587 I630 F675 Y681 I682 L683I541-Y679 HydrophobicContact CG2-CD2 4.06Å; V583-Y679 HydrophobicContact CB-CD1 4.49Å; V583-Y679 HydrophobicContact CB-CE1 4.27Å; V583-Y679 HydrophobicContact CG1-CD1 3.83Å; V583-Y679 HydrophobicContact CG1-CD2 3.47Å; V583-Y679 VanDerWaalsContact CG1-CD2 3.47Å; V583-Y679 HydrophobicContact CG1-CE1 3.63Å; V583-Y679 HydrophobicContact CG1-CE2 3.27Å; V583-Y679 HydrophobicContact CG1-CG 3.73Å; V583-Y679 HydrophobicContact CG2-CD1 3.94Å; V583-Y679 HydrophobicContact CG2-CE1 3.57Å; L587-Y679 HydrophobicContact CD1-CE2 4.06Å; I630-Y679 WeakPolarHBondContact CG1-OH 3Å; F675-Y679 VanDerWaalsContact O-CB 3.31Å; F675-Y679 WeakPolarHBondContact O-CB 3.43Å; F675-Y679 PolarHBondContact O-N 3.44Å; Y679-Y681 VanDerWaalsContact C-N 3.34Å; Y679-Y681 PolarHBondContact O-N 3.22Å; Y679-I682 PolarHBondContact O-N 3.48Å; Y679-L683 HydrophobicContact CD2-CB 4.46Å; Y679-L683 HydrophobicContact CE2-CB 4.04Å; Y679-L683 HydrophobicContact CE2-CD1 4.39Å; Y679-L683 HydrophobicContact CE2-CD2 4.22Å; Y679-L683 HydrophobicContact CE2-CG 4.43Å; Y679-L683 VanDerWaalsContact O-CB 3.32Å; Y679-L683 WeakPolarHBondContact O-CB 3.33Å; Y679-L683 PolarHBondContact O-N 3.05Å
680F69.7Low66.5Low7 Ų732.4 Ų32.43%0.03117%0.165CC..Hα-helixtrans-60.7-44.5-178-178.2-94.1000111.6L629 I652 E653 L656 F676 L677 S678 L683 V684L629-F680 HydrophobicContact CD1-CD2 3.53Å; L629-F680 HydrophobicContact CD1-CE2 3.45Å; L629-F680 VanDerWaalsContact CD1-CE2 3.45Å; L629-F680 HydrophobicContact CD2-CE2 3.87Å; L629-F680 HydrophobicContact CG-CE2 4.31Å; I652-F680 HydrophobicContact CG1-CZ 4.02Å; I652-F680 HydrophobicContact CG2-CZ 4.43Å; E653-F680 HydrophobicContact CG-CE1 4.27Å; L656-F680 HydrophobicContact CB-CD1 4.38Å; L656-F680 HydrophobicContact CB-CE1 4.33Å; L656-F680 HydrophobicContact CD1-CD1 3.68Å; L656-F680 HydrophobicContact CD1-CD2 3.54Å; L656-F680 HydrophobicContact CD1-CE1 3.35Å; L656-F680 HydrophobicContact CD1-CE2 3.2Å; L656-F680 HydrophobicContact CD1-CG 3.77Å; L656-F680 HydrophobicContact CD1-CZ 3.08Å; L656-F680 HydrophobicContact CG-CE1 4.5Å; L656-F680 HydrophobicContact CG-CZ 4.49Å; F676-F680 WeakPolarHBondContact O-CB 3.34Å; F676-F680 PolarHBondContact O-N 3.2Å; L677-F680 PolarHBondContact O-N 3.22Å; S678-F680 PolarHBondContact O-N 3.23Å; F680-L683 PolarHBondContact O-N 3.48Å; F680-V684 HydrophobicContact CD1-CG2 4.16Å; F680-V684 HydrophobicContact CD2-CG2 4.12Å; F680-V684 HydrophobicContact CE1-CB 4.27Å; F680-V684 HydrophobicContact CE1-CG2 3.55Å; F680-V684 HydrophobicContact CE2-CG2 3.5Å; F680-V684 HydrophobicContact CG-CG2 4.41Å; F680-V684 HydrophobicContact CZ-CB 4.32Å; F680-V684 HydrophobicContact CZ-CG2 3.19Å; F680-V684 WeakPolarHBondContact O-CB 3.38Å; F680-V684 WeakPolarHBondContact O-CG2 3.37Å; F680-V684 PolarHBondContact O-N 3.44Å
681Y71Confident68.9Low81 Ų8130.3 Ų30.332%0.31815%0.15SC..Hα-helixtrans-62-45.2177170.1-99.5000112.2L677 S678 Y679 S685 E696 K700L677-Y681 VanDerWaalsContact O-CB 3.31Å; L677-Y681 WeakPolarHBondContact O-CB 3.42Å; L677-Y681 PolarHBondContact O-N 3.37Å; S678-Y681 PolarHBondContact O-N 2.99Å; Y679-Y681 VanDerWaalsContact C-N 3.34Å; Y679-Y681 PolarHBondContact O-N 3.22Å; Y681-S685 WeakPolarHBondContact O-CB 3.25Å; Y681-S685 PolarHBondContact O-N 3.47Å; Y681-S685 PolarHBondContact O-OG 3.31Å; Y681-E696 PolarHBondContact OH-OE2 3.42Å; Y681-K700 PolarHBondContact OH-NZ 3.36Å
682I71.7Confident71Confident1 Ų130.6 Ų30.61%0.00515%0.149CC..Hα-helixtrans-63.1-49.5177.5-68.5166.1000109.9I541 C545 S678 Y679 V684 S685 C686 Y693I541-I682 HydrophobicContact CB-CD1 3.82Å; I541-I682 HydrophobicContact CD1-CD1 4.25Å; I541-I682 HydrophobicContact CG2-CB 3.66Å; I541-I682 HydrophobicContact CG2-CD1 3.55Å; I541-I682 HydrophobicContact CG2-CG1 4.19Å; I541-I682 HydrophobicContact CG2-CG2 3.58Å; C545-I682 HydrophobicContact CB-CG2 4.19Å; S678-I682 WeakPolarHBondContact O-CB 3.44Å; S678-I682 VanDerWaalsContact O-CG1 3.25Å; S678-I682 WeakPolarHBondContact O-CG1 3.2Å; S678-I682 PolarHBondContact O-N 2.61Å; Y679-I682 PolarHBondContact O-N 3.48Å; I682-V684 PolarHBondContact O-N 3.21Å; I682-S685 PolarHBondContact O-N 3.43Å; I682-C686 WeakPolarHBondContact O-CB 3.24Å; I682-C686 PolarHBondContact O-N 3.15Å; I682-C686 PolarHBondContact O-SG 2.93Å; I682-C686 VanDerWaalsContact O-SG 3.41Å; I682-Y693 HydrophobicContact CB-CE2 4.05Å; I682-Y693 HydrophobicContact CG1-CE2 3.84Å; I682-Y693 HydrophobicContact CG2-CE1 4.34Å; I682-Y693 HydrophobicContact CG2-CE2 3.75Å; I682-Y693 VanDerWaalsContact CG2-OH 3.25Å; I682-Y693 WeakPolarHBondContact CG2-OH 3.26Å
683L73.6Confident73Confident0 Ų028.9 Ų28.90%014%0.141CC..Hα-helixtrans-59.6-50.4-179.8-175.778.5000111.5C545 L629 Y679 F680 S685 C686 I687C545-L683 HydrophobicContact CB-CD1 4.09Å; L629-L683 HydrophobicContact CB-CD2 3.76Å; L629-L683 HydrophobicContact CD2-CD2 4.45Å; Y679-L683 HydrophobicContact CD2-CB 4.46Å; Y679-L683 HydrophobicContact CE2-CB 4.04Å; Y679-L683 HydrophobicContact CE2-CD1 4.39Å; Y679-L683 HydrophobicContact CE2-CD2 4.22Å; Y679-L683 HydrophobicContact CE2-CG 4.43Å; Y679-L683 VanDerWaalsContact O-CB 3.32Å; Y679-L683 WeakPolarHBondContact O-CB 3.33Å; Y679-L683 PolarHBondContact O-N 3.05Å; F680-L683 PolarHBondContact O-N 3.48Å; L683-S685 VanDerWaalsContact C-N 3.32Å; L683-S685 PolarHBondContact O-N 2.75Å; L683-C686 PolarHBondContact O-N 2.82Å; L683-I687 HydrophobicContact CD1-CD1 4.43Å; L683-I687 HydrophobicContact CD2-CD1 4.04Å; L683-I687 HydrophobicContact CG-CD1 3.73Å; L683-I687 HydrophobicContact CG-CG1 4.41Å; L683-I687 WeakPolarHBondContact O-CB 3.38Å; L683-I687 WeakPolarHBondContact O-CD1 3.41Å; L683-I687 VanDerWaalsContact O-CG1 3.24Å; L683-I687 WeakPolarHBondContact O-CG1 3.26Å; L683-I687 PolarHBondContact O-N 2.99Å
684V74.9Confident75.1Confident2 Ų225.3 Ų25.31%0.01212%0.122CC..Hα-helixtrans-65.8-35.4179.5171.20000112.1F641 E653 F680 I682 I687 K688F641-V684 HydrophobicContact CD2-CG1 4.26Å; F641-V684 HydrophobicContact CE1-CG2 4.49Å; F641-V684 HydrophobicContact CE2-CB 4.29Å; F641-V684 HydrophobicContact CE2-CG1 3.82Å; F641-V684 HydrophobicContact CE2-CG2 3.85Å; F641-V684 HydrophobicContact CZ-CG1 4.41Å; F641-V684 HydrophobicContact CZ-CG2 3.63Å; E653-V684 HydrophobicContact CG-CG1 3.89Å; F680-V684 HydrophobicContact CD1-CG2 4.16Å; F680-V684 HydrophobicContact CD2-CG2 4.12Å; F680-V684 HydrophobicContact CE1-CB 4.27Å; F680-V684 HydrophobicContact CE1-CG2 3.55Å; F680-V684 HydrophobicContact CE2-CG2 3.5Å; F680-V684 HydrophobicContact CG-CG2 4.41Å; F680-V684 HydrophobicContact CZ-CB 4.32Å; F680-V684 HydrophobicContact CZ-CG2 3.19Å; F680-V684 WeakPolarHBondContact O-CB 3.38Å; F680-V684 WeakPolarHBondContact O-CG2 3.37Å; F680-V684 PolarHBondContact O-N 3.44Å; I682-V684 PolarHBondContact O-N 3.21Å; V684-I687 PolarHBondContact O-N 3.1Å; V684-K688 HydrophobicContact CG1-CD 3.98Å; V684-K688 HydrophobicContact CG1-CG 4.19Å; V684-K688 WeakPolarHBondContact O-CB 3.4Å; V684-K688 WeakPolarHBondContact O-CG 3.39Å; V684-K688 PolarHBondContact O-N 3.39Å
685S77.6Confident77.1Confident21 Ų2120.7 Ų20.715%0.14710%0.098CC..Hα-helixtrans-63.7-45.6173.5-590000111.2Y681 I682 L683 K688 N689Y681-S685 WeakPolarHBondContact O-CB 3.25Å; Y681-S685 PolarHBondContact O-N 3.47Å; Y681-S685 PolarHBondContact O-OG 3.31Å; I682-S685 PolarHBondContact O-N 3.43Å; L683-S685 VanDerWaalsContact C-N 3.32Å; L683-S685 PolarHBondContact O-N 2.75Å; S685-K688 PolarHBondContact O-N 3.01Å; S685-N689 CarbonylContact O-C 3.52Å; S685-N689 VanDerWaalsContact O-C 3.29Å; S685-N689 PolarHBondContact O-N 3.03Å
686C76.8Confident78.6Confident0 Ų020.4 Ų20.40%010%0.097CC..Hα-helixtrans-61.4-43.4174.2-75.70000112.8I682 L683 K690 Y693I682-C686 WeakPolarHBondContact O-CB 3.24Å; I682-C686 PolarHBondContact O-N 3.15Å; I682-C686 PolarHBondContact O-SG 2.93Å; I682-C686 VanDerWaalsContact O-SG 3.41Å; L683-C686 PolarHBondContact O-N 2.82Å; C686-K690 PolarHBondContact O-N 3.41Å; C686-Y693 WeakPolarHBondContact SG-CD1 3.48Å
687I75.6Confident80.2Confident0 Ų020.7 Ų20.70%010%0.098CC..Hα-helixtrans-60-53.6175.3-70.6159.7000109.8F634 L637 R638 F641 L683 V684F634-I687 HydrophobicContact CB-CG2 4.45Å; F634-I687 HydrophobicContact CD1-CB 4.42Å; F634-I687 HydrophobicContact CD1-CG1 3.52Å; F634-I687 HydrophobicContact CE1-CG1 3.68Å; F634-I687 HydrophobicContact CG-CG1 4.1Å; F634-I687 HydrophobicContact CZ-CG1 4.38Å; L637-I687 HydrophobicContact CB-CD1 4.11Å; L637-I687 HydrophobicContact CB-CG2 3.81Å; L637-I687 HydrophobicContact CD1-CD1 3.53Å; L637-I687 HydrophobicContact CD1-CG1 4.23Å; L637-I687 HydrophobicContact CG-CD1 4.41Å; R638-I687 HydrophobicContact CG-CG2 3.91Å; R638-I687 VanDerWaalsContact CZ-O 3.28Å; R638-I687 PolarHBondContact NE-O 3.34Å; R638-I687 PolarHBondContact NH2-O 2.93Å; F641-I687 HydrophobicContact CD2-CG2 4.38Å; F641-I687 HydrophobicContact CE2-CB 4.21Å; F641-I687 HydrophobicContact CE2-CD1 4.09Å; F641-I687 HydrophobicContact CE2-CG2 3.71Å; F641-I687 HydrophobicContact CZ-CD1 3.97Å; F641-I687 HydrophobicContact CZ-CG2 4.5Å; L683-I687 HydrophobicContact CD1-CD1 4.43Å; L683-I687 HydrophobicContact CD2-CD1 4.04Å; L683-I687 HydrophobicContact CG-CD1 3.73Å; L683-I687 HydrophobicContact CG-CG1 4.41Å; L683-I687 WeakPolarHBondContact O-CB 3.38Å; L683-I687 WeakPolarHBondContact O-CD1 3.41Å; L683-I687 VanDerWaalsContact O-CG1 3.24Å; L683-I687 WeakPolarHBondContact O-CG1 3.26Å; L683-I687 PolarHBondContact O-N 2.99Å; V684-I687 PolarHBondContact O-N 3.1Å
688K79.8Confident81.7Confident90 Ų9019.5 Ų19.539%0.3919%0.092SC..Hα-helixtrans-67.6-48.5-173.6-73.3-172.4178.3-172.60112F641 E653 V684 S685F641-K688 HydrophobicContact CD2-CG 4.19Å; E653-K688 IonicContact OE1-NZ 3.5Å; E653-K688 PolarHBondContact OE1-NZ 3.24Å; E653-K688 IonicContact OE2-NZ 3.8Å; E653-K688 PolarHBondContact OE2-NZ 3.01Å; V684-K688 HydrophobicContact CG1-CD 3.98Å; V684-K688 HydrophobicContact CG1-CG 4.19Å; V684-K688 WeakPolarHBondContact O-CB 3.4Å; V684-K688 WeakPolarHBondContact O-CG 3.39Å; V684-K688 PolarHBondContact O-N 3.39Å; S685-K688 PolarHBondContact O-N 3.01Å
689N84.5Confident83.2Confident38 Ų3819.6 Ų19.620%0.2039%0.089CC..Hα-helixtrans-160.994.7178.5-175.9-25.6000110.5S685 P691 K692 Y693 E730S685-N689 CarbonylContact O-C 3.52Å; S685-N689 VanDerWaalsContact O-C 3.29Å; S685-N689 PolarHBondContact O-N 3.03Å; N689-P691 VanDerWaalsContact OD1-CD 3.26Å; N689-P691 WeakPolarHBondContact OD1-CD 3.22Å; N689-K692 HydrophobicContact CB-CB 3.8Å; N689-K692 PolarHBondContact O-N 3.43Å; N689-K692 WeakPolarHBondContact OD1-CB 3.32Å; N689-K692 PolarHBondContact OD1-N 3.03Å; N689-Y693 PolarHBondContact O-N 3.35Å; N689-E730 PolarHBondContact ND2-OE1 3.09Å
690K87.5Confident84.2Confident5 Ų524 Ų242%0.02211%0.109CC..Hα-helixtrans-56.9-45.7180-172.4-163.4-59.4-165.70112.5E431 Y433 S546 C686 K692 Y693 F694E431-K690 IonicContact OE1-NZ 2.72Å; E431-K690 IonicContact OE2-NZ 2.67Å; E431-K690 PolarHBondContact OE2-NZ 2.89Å; Y433-K690 HydrophobicContact CD2-CB 4.34Å; Y433-K690 HydrophobicContact CE2-CB 3.64Å; Y433-K690 PolarHBondContact OH-N 3.39Å; S546-K690 PolarHBondContact O-NZ 3.27Å; C686-K690 PolarHBondContact O-N 3.41Å; K690-K692 PolarHBondContact O-N 3.28Å; K690-Y693 WeakPolarHBondContact O-CB 3.36Å; K690-Y693 PolarHBondContact O-N 3.34Å; K690-F694 HydrophobicContact CD-CE2 4.05Å; K690-F694 HydrophobicContact CG-CD2 4.13Å; K690-F694 HydrophobicContact CG-CE2 3.74Å; K690-F694 WeakPolarHBondContact O-CD2 3.49Å; K690-F694 PolarHBondContact O-N 2.93Å
691P91.5Very high85.1Confident1 Ų123.9 Ų23.91%0.00611%0.109CC..Hα-helixtrans-58.2-41.5173.7-2936.1000114.6Y433 N689 F694 A695 I726 I727 E730Y433-P691 HydrophobicContact CD1-CG 3.88Å; Y433-P691 HydrophobicContact CE1-CG 3.98Å; Y433-P691 HydrophobicContact CG-CG 4.16Å; N689-P691 VanDerWaalsContact OD1-CD 3.26Å; N689-P691 WeakPolarHBondContact OD1-CD 3.22Å; P691-F694 PolarHBondContact O-N 3.14Å; P691-A695 PolarHBondContact O-N 3.22Å; P691-I726 HydrophobicContact CB-CB 4.24Å; P691-I726 HydrophobicContact CB-CG2 3.66Å; P691-I726 HydrophobicContact CG-CB 4.28Å; P691-I726 HydrophobicContact CG-CG2 3.73Å; P691-I727 HydrophobicContact CB-CG1 4.01Å; P691-E730 HydrophobicContact CB-CG 4.13Å
692K91.9Very high86Confident82 Ų8220 Ų2036%0.3579%0.093SC..Hα-helixtrans-67.5-37.7176.8-174.3-174.1177.2-152.30112.4N689 K690 F694 A695 E696 E730N689-K692 HydrophobicContact CB-CB 3.8Å; N689-K692 PolarHBondContact O-N 3.43Å; N689-K692 WeakPolarHBondContact OD1-CB 3.32Å; N689-K692 PolarHBondContact OD1-N 3.03Å; K690-K692 PolarHBondContact O-N 3.28Å; K692-F694 PolarHBondContact O-N 3.2Å; K692-A695 WeakPolarHBondContact O-CB 3.22Å; K692-A695 PolarHBondContact O-N 2.76Å; K692-E696 WeakPolarHBondContact CE-OE1 3.29Å; K692-E696 IonicContact NZ-OE1 3.25Å; K692-E696 PolarHBondContact NZ-OE1 2.79Å; K692-E696 WeakPolarHBondContact O-CG 3.38Å; K692-E696 PolarHBondContact O-N 2.75Å; K692-E730 HydrophobicContact CB-CB 4.34Å; K692-E730 HydrophobicContact CB-CG 4.18Å
693Y90.7Very high86.4Confident3 Ų325.1 Ų25.11%0.01212%0.115CC..Hα-helixtrans-56.5-48.7173.1165.5-102000111.7E542 I682 C686 N689 K690 A695 E696 K697E542-Y693 HydrophobicContact CG-CE1 4.14Å; I682-Y693 HydrophobicContact CB-CE2 4.05Å; I682-Y693 HydrophobicContact CG1-CE2 3.84Å; I682-Y693 HydrophobicContact CG2-CE1 4.34Å; I682-Y693 HydrophobicContact CG2-CE2 3.75Å; I682-Y693 VanDerWaalsContact CG2-OH 3.25Å; I682-Y693 WeakPolarHBondContact CG2-OH 3.26Å; C686-Y693 WeakPolarHBondContact SG-CD1 3.48Å; N689-Y693 PolarHBondContact O-N 3.35Å; K690-Y693 WeakPolarHBondContact O-CB 3.36Å; K690-Y693 PolarHBondContact O-N 3.34Å; Y693-A695 VanDerWaalsContact C-N 3.32Å; Y693-A695 PolarHBondContact O-N 2.96Å; Y693-E696 PolarHBondContact O-N 2.66Å; Y693-K697 HydrophobicContact CD2-CG 4.44Å; Y693-K697 HydrophobicContact CE1-CG 4.33Å; Y693-K697 HydrophobicContact CE2-CG 3.82Å; Y693-K697 PolarHBondContact O-N 3.47Å; Y693-K697 WeakPolarHBondContact OH-CE 3.32Å
694F94.3Very high85.6Confident0 Ų035.2 Ų35.20%015%0.154CC..Hα-helixtrans-64.7-36.5176.3-73.6-58.3000112.1E542 K690 P691 K692 K697 L698 I715 R719 I727E542-F694 HydrophobicContact CG-CE1 4.14Å; K690-F694 HydrophobicContact CD-CE2 4.05Å; K690-F694 HydrophobicContact CG-CD2 4.13Å; K690-F694 HydrophobicContact CG-CE2 3.74Å; K690-F694 WeakPolarHBondContact O-CD2 3.49Å; K690-F694 PolarHBondContact O-N 2.93Å; P691-F694 PolarHBondContact O-N 3.14Å; K692-F694 PolarHBondContact O-N 3.2Å; F694-K697 PolarHBondContact O-N 3.47Å; F694-L698 WeakPolarHBondContact O-CB 3.48Å; F694-L698 VanDerWaalsContact O-CG 3.27Å; F694-L698 WeakPolarHBondContact O-CG 3.38Å; F694-L698 PolarHBondContact O-N 2.81Å; F694-I715 HydrophobicContact CB-CG2 4.12Å; F694-I715 HydrophobicContact CD1-CB 4.5Å; F694-I715 HydrophobicContact CD1-CD1 4.16Å; F694-I715 HydrophobicContact CD1-CG1 3.96Å; F694-I715 HydrophobicContact CD1-CG2 3.81Å; F694-I715 HydrophobicContact CE1-CG1 4.35Å; F694-I715 HydrophobicContact CG-CG2 4.22Å; F694-R719 HydrophobicContact CD2-CG 4.31Å; F694-R719 HydrophobicContact CE2-CG 4.27Å; F694-R719 HydrophobicContact CG-CG 4.49Å; F694-R719 HydrophobicContact CZ-CG 4.44Å; F694-I727 HydrophobicContact CB-CD1 3.69Å; F694-I727 HydrophobicContact CB-CG1 4.04Å; F694-I727 HydrophobicContact CB-CG2 4.09Å; F694-I727 HydrophobicContact CD2-CD1 3.88Å; F694-I727 HydrophobicContact CG-CD1 4.06Å
695A95.2Very high84.7Confident0 Ų043 Ų430%019%0.194CC..Hα-helixtrans-61.6-43.8172.800000112.6P691 K692 Y693 L698 E699 I727 E730 F731P691-A695 PolarHBondContact O-N 3.22Å; K692-A695 WeakPolarHBondContact O-CB 3.22Å; K692-A695 PolarHBondContact O-N 2.76Å; Y693-A695 VanDerWaalsContact C-N 3.32Å; Y693-A695 PolarHBondContact O-N 2.96Å; A695-L698 PolarHBondContact O-N 3.25Å; A695-E699 WeakPolarHBondContact O-CB 3.46Å; A695-E699 PolarHBondContact O-N 2.99Å; A695-I727 HydrophobicContact CB-CG2 4.28Å; A695-E730 HydrophobicContact CB-CB 3.94Å; A695-F731 HydrophobicContact CB-CB 3.9Å; A695-F731 HydrophobicContact CB-CD2 4.34Å; A695-F731 WeakPolarHBondContact O-CD2 3.39Å
696E91.9Very high84Confident35 Ų3544.6 Ų44.616%0.16421%0.214CC..Hα-helixtrans-65-37.3175.1-73.3-178.1-164.500112.3Y681 K692 Y693 K700 L734Y681-E696 PolarHBondContact OH-OE2 3.42Å; K692-E696 WeakPolarHBondContact CE-OE1 3.29Å; K692-E696 IonicContact NZ-OE1 3.25Å; K692-E696 PolarHBondContact NZ-OE1 2.79Å; K692-E696 WeakPolarHBondContact O-CG 3.38Å; K692-E696 PolarHBondContact O-N 2.75Å; Y693-E696 PolarHBondContact O-N 2.66Å; E696-K700 WeakPolarHBondContact O-CB 3.14Å; E696-K700 WeakPolarHBondContact O-CD 3.28Å; E696-K700 VanDerWaalsContact O-CG 3.23Å; E696-K700 WeakPolarHBondContact O-CG 3.34Å; E696-K700 PolarHBondContact O-N 3.48Å; E696-L734 HydrophobicContact CB-CD2 4.3Å; E696-L734 HydrophobicContact CG-CD1 4.39Å; E696-L734 HydrophobicContact CG-CD2 3.66Å
697K91.9Very high84Confident12 Ų1246.6 Ų46.65%0.05223%0.226CC..Hα-helixtrans-71.1-39.8175.5-83.3-84.8-174.7157.80112.6D538 Y693 F694 E699 K700 S701 I715D538-K697 IonicContact OD1-NZ 3.23Å; D538-K697 IonicContact OD2-NZ 3.42Å; D538-K697 PolarHBondContact OD2-NZ 2.99Å; Y693-K697 HydrophobicContact CD2-CG 4.44Å; Y693-K697 HydrophobicContact CE1-CG 4.33Å; Y693-K697 HydrophobicContact CE2-CG 3.82Å; Y693-K697 PolarHBondContact O-N 3.47Å; Y693-K697 WeakPolarHBondContact OH-CE 3.32Å; F694-K697 PolarHBondContact O-N 3.47Å; K697-E699 VanDerWaalsContact C-N 3.32Å; K697-E699 PolarHBondContact O-N 2.81Å; K697-K700 PolarHBondContact O-N 3.25Å; K697-S701 WeakPolarHBondContact O-CB 3.49Å; K697-S701 PolarHBondContact O-N 2.87Å; K697-S701 PolarHBondContact O-OG 2.95Å; K697-I715 HydrophobicContact CB-CD1 3.58Å
698L95Very high84.5Confident0 Ų050.1 Ų50.10%025%0.245CC..Hα-helixtrans-60.7-41.1171.9-75.2168.7000111.6F694 A695 S701 M702 L712 I715 I716 I727 F731 L739F694-L698 WeakPolarHBondContact O-CB 3.48Å; F694-L698 VanDerWaalsContact O-CG 3.27Å; F694-L698 WeakPolarHBondContact O-CG 3.38Å; F694-L698 PolarHBondContact O-N 2.81Å; A695-L698 PolarHBondContact O-N 3.25Å; L698-S701 PolarHBondContact O-N 3.11Å; L698-S701 PolarHBondContact O-OG 3.45Å; L698-M702 HydrophobicContact CB-CE 4.18Å; L698-M702 WeakPolarHBondContact O-CE 3.16Å; L698-M702 PolarHBondContact O-N 3.45Å; L698-L712 HydrophobicContact CD2-CD1 3.59Å; L698-I715 HydrophobicContact CD1-CG2 4.02Å; L698-I715 HydrophobicContact CD2-CB 4.01Å; L698-I715 HydrophobicContact CD2-CD1 4.41Å; L698-I715 HydrophobicContact CD2-CG2 3.88Å; L698-I715 HydrophobicContact CG-CB 4.4Å; L698-I715 HydrophobicContact CG-CD1 4.32Å; L698-I715 HydrophobicContact CG-CG2 3.85Å; L698-I716 HydrophobicContact CD1-CD1 4.41Å; L698-I716 HydrophobicContact CD2-CD1 3.94Å; L698-I716 HydrophobicContact CD2-CG1 4.13Å; L698-I727 HydrophobicContact CD1-CG2 3.7Å; L698-F731 HydrophobicContact CB-CD2 3.97Å; L698-F731 HydrophobicContact CB-CE2 3.82Å; L698-L739 HydrophobicContact CD1-CD1 4.11Å; L698-L739 HydrophobicContact CD1-CD2 4.09Å
699E93.3Very high85Confident32 Ų3247.7 Ų47.715%0.1524%0.236CC..Hα-helixtrans-66-42.9178.7-168.2-91.4-17600111.7A695 K697 M702 K703 F731 L734 T735A695-E699 WeakPolarHBondContact O-CB 3.46Å; A695-E699 PolarHBondContact O-N 2.99Å; K697-E699 VanDerWaalsContact C-N 3.32Å; K697-E699 PolarHBondContact O-N 2.81Å; E699-M702 PolarHBondContact O-N 2.93Å; E699-K703 VanDerWaalsContact CD-CE 3.47Å; E699-K703 WeakPolarHBondContact O-CB 3.49Å; E699-K703 WeakPolarHBondContact OE1-CE 3.33Å; E699-K703 IonicContact OE1-NZ 3.48Å; E699-K703 PolarHBondContact OE1-NZ 2.66Å; E699-K703 WeakPolarHBondContact OE2-CD 3.47Å; E699-K703 WeakPolarHBondContact OE2-CE 3.43Å; E699-K703 IonicContact OE2-NZ 2.67Å; E699-K703 PolarHBondContact OE2-NZ 2.83Å; E699-F731 HydrophobicContact CB-CE2 3.97Å; E699-L734 HydrophobicContact CB-CD2 4.2Å; E699-L734 HydrophobicContact CG-CD2 4.39Å; E699-T735 HydrophobicContact CB-CG2 4.27Å; E699-T735 HydrophobicContact CG-CG2 3.55Å
700K89.1Confident85.3Confident95 Ų9549.6 Ų49.641%0.41324%0.241SC..Hα-helixtrans-65-39.1174.1-70.9166.3-171.5169.80112.3Y681 E696 K697 M702 K703Y681-K700 PolarHBondContact OH-NZ 3.36Å; E696-K700 WeakPolarHBondContact O-CB 3.14Å; E696-K700 WeakPolarHBondContact O-CD 3.28Å; E696-K700 VanDerWaalsContact O-CG 3.23Å; E696-K700 WeakPolarHBondContact O-CG 3.34Å; E696-K700 PolarHBondContact O-N 3.48Å; K697-K700 PolarHBondContact O-N 3.25Å; K700-M702 VanDerWaalsContact C-N 3.28Å; K700-M702 PolarHBondContact O-N 3.02Å; K700-K703 PolarHBondContact O-N 3.39Å
701S89.5Confident85.6Confident4 Ų449.8 Ų49.83%0.02824%0.242CC..Hα-helixtrans-69.9-22.1-178.8730000113.5K697 L698 T707 D708K697-S701 WeakPolarHBondContact O-CB 3.49Å; K697-S701 PolarHBondContact O-N 2.87Å; K697-S701 PolarHBondContact O-OG 2.95Å; L698-S701 PolarHBondContact O-N 3.11Å; L698-S701 PolarHBondContact O-OG 3.45Å; S701-T707 CarbonylContact O-C 3.42Å; S701-T707 VanDerWaalsContact O-CA 3.31Å; S701-T707 WeakPolarHBondContact O-CA 3.37Å; S701-T707 WeakPolarHBondContact O-CG2 3.26Å; S701-D708 PolarHBondContact O-N 3.21Å
702M89.9Confident85.8Confident0 Ų049.7 Ų49.70%024%0.242CC..THydrogen-bonded Turntrans-104.612.7179.9-65.2-176.8-74.700114.2L698 E699 K700 R704 T707 L712 F731 L739 Y742 I743 E746L698-M702 HydrophobicContact CB-CE 4.18Å; L698-M702 WeakPolarHBondContact O-CE 3.16Å; L698-M702 PolarHBondContact O-N 3.45Å; E699-M702 PolarHBondContact O-N 2.93Å; K700-M702 VanDerWaalsContact C-N 3.28Å; K700-M702 PolarHBondContact O-N 3.02Å; M702-R704 PolarHBondContact O-N 3.39Å; M702-T707 HydrophobicContact CG-CG2 4.21Å; M702-L712 HydrophobicContact CE-CD1 4.29Å; M702-L712 HydrophobicContact CG-CD1 4.16Å; M702-L712 HydrophobicContact CG-CD2 3.99Å; M702-L712 HydrophobicContact SD-CD1 3.89Å; M702-L712 HydrophobicContact SD-CD2 4.15Å; M702-F731 HydrophobicContact CE-CE2 3.87Å; M702-F731 HydrophobicContact CE-CZ 3.82Å; M702-L739 HydrophobicContact CE-CD1 3.76Å; M702-Y742 HydrophobicContact CB-CD1 3.68Å; M702-Y742 HydrophobicContact CB-CE1 3.55Å; M702-Y742 HydrophobicContact CE-CD1 3.82Å; M702-Y742 HydrophobicContact CE-CG 4.31Å; M702-Y742 HydrophobicContact CG-CD1 4.42Å; M702-Y742 HydrophobicContact SD-CD1 3.92Å; M702-I743 HydrophobicContact CE-CG1 4.45Å; M702-I743 HydrophobicContact SD-CG1 3.81Å; M702-E746 HydrophobicContact CB-CB 4.17Å; M702-E746 HydrophobicContact CB-CG 4.47Å; M702-E746 WeakPolarHBondContact O-CG 3.49Å
703K79.3Confident86Confident107 Ų10746.2 Ų46.247%0.46523%0.227SC..SBendtrans-86.875.8-166.9-131.9170.9-178.3160.30114.6E699 K700 L705E699-K703 VanDerWaalsContact CD-CE 3.47Å; E699-K703 WeakPolarHBondContact O-CB 3.49Å; E699-K703 WeakPolarHBondContact OE1-CE 3.33Å; E699-K703 IonicContact OE1-NZ 3.48Å; E699-K703 PolarHBondContact OE1-NZ 2.66Å; E699-K703 WeakPolarHBondContact OE2-CD 3.47Å; E699-K703 WeakPolarHBondContact OE2-CE 3.43Å; E699-K703 IonicContact OE2-NZ 2.67Å; E699-K703 PolarHBondContact OE2-NZ 2.83Å; K700-K703 PolarHBondContact O-N 3.39Å; K703-L705 VanDerWaalsContact C-N 3.27Å; K703-L705 PolarHBondContact O-N 3.31Å
704R56.9Low86.3Confident213 Ų21346.1 Ų46.180%0.80423%0.227SC*.SBendtrans50.5-21.4158-85.5-169.5158.4-155.8-9.9123M702 G706 E746M702-R704 PolarHBondContact O-N 3.39Å; R704-G706 VanDerWaalsContact C-N 3.33Å; R704-E746 IonicContact NE-OE1 3.58Å
705L57.5Low86.4Confident164 Ų16446.1 Ų46.186%0.85923%0.227SC*.SBendtrans-92.41.1175.1-75.3174.1000112.9K703K703-L705 VanDerWaalsContact C-N 3.27Å; K703-L705 PolarHBondContact O-N 3.31Å
706G61.4Low86.6Confident55 Ų5546.1 Ų46.157%0.56723%0.227SC*.  trans143.5137.9-178.400000108.5R704R704-G706 VanDerWaalsContact C-N 3.33Å
707T76.9Confident86.8Confident43 Ų4345.1 Ų45.126%0.26422%0.223SC..  trans-83.7121.4177.1-45.90000109S701 M702 N709 L712 E746 T747S701-T707 CarbonylContact O-C 3.42Å; S701-T707 VanDerWaalsContact O-CA 3.31Å; S701-T707 WeakPolarHBondContact O-CA 3.37Å; S701-T707 WeakPolarHBondContact O-CG2 3.26Å; M702-T707 HydrophobicContact CG-CG2 4.21Å; T707-N709 WeakPolarHBondContact CB-OD1 2.99Å; T707-N709 WeakPolarHBondContact CG2-OD1 3.48Å; T707-N709 PolarHBondContact O-N 3.05Å; T707-L712 HydrophobicContact CG2-CD2 3.92Å; T707-E746 PolarHBondContact OG1-O 2.87Å; T707-T747 HydrophobicContact CG2-CG2 4.44Å
708D86.2Confident87Confident73 Ų7345.4 Ų45.439%0.3923%0.226SC..  trans-75.480.7166.1178.55.7000108.8S701 R710 T711 L712S701-D708 PolarHBondContact O-N 3.21Å; D708-R710 PolarHBondContact O-N 3.09Å; D708-R710 WeakPolarHBondContact OD1-CB 3.29Å; D708-R710 PolarHBondContact OD1-N 2.91Å; D708-T711 PolarHBondContact O-N 3.11Å; D708-T711 PolarHBondContact OD1-N 3.23Å; D708-T711 VanDerWaalsContact OD1-N 3.1Å; D708-T711 WeakPolarHBondContact OD2-CB 3.46Å; D708-T711 PolarHBondContact OD2-OG1 2.9Å; D708-L712 WeakPolarHBondContact O-CB 3.42Å; D708-L712 PolarHBondContact O-N 2.85Å
709N90.3Very high87Confident39 Ų3945.5 Ų45.521%0.20923%0.227CC..Hα-helixtrans-57.9-27.1177.8-71-15.5000112.2S506 T707 I713S506-N709 WeakPolarHBondContact CB-ND2 3.29Å; S506-N709 WeakPolarHBondContact OG-CB 3.48Å; S506-N709 PolarHBondContact OG-ND2 3.34Å; T707-N709 WeakPolarHBondContact CB-OD1 2.99Å; T707-N709 WeakPolarHBondContact CG2-OD1 3.48Å; T707-N709 PolarHBondContact O-N 3.05Å; N709-I713 HydrophobicContact CB-CD1 4.46Å; N709-I713 VanDerWaalsContact O-CB 3.25Å; N709-I713 WeakPolarHBondContact O-CB 3.43Å; N709-I713 VanDerWaalsContact O-CD1 3.31Å; N709-I713 WeakPolarHBondContact O-CD1 3.38Å; N709-I713 WeakPolarHBondContact O-CG1 3.46Å; N709-I713 PolarHBondContact O-N 3.32Å
710R92.1Very high87.2Confident79 Ų7944 Ų4430%0.29822%0.22SC..Hα-helixtrans-70.8-51.4-178.8-174.2-176.8176-166.4-1.5110.4E525 D536 D708 L712 I713 R714E525-R710 IonicContact OE2-CZ 3.15Å; E525-R710 IonicContact OE2-NE 3.06Å; E525-R710 PolarHBondContact OE2-NE 3.19Å; E525-R710 IonicContact OE2-NH2 3.74Å; E525-R710 PolarHBondContact OE2-NH2 3.3Å; D536-R710 IonicContact OD2-CZ 2.68Å; D536-R710 VanDerWaalsContact OD2-CZ 3.31Å; D536-R710 IonicContact OD2-NE 2.65Å; D536-R710 IonicContact OD2-NH1 3.25Å; D536-R710 PolarHBondContact OD2-NH1 3.43Å; D536-R710 IonicContact OD2-NH2 2.74Å; D708-R710 PolarHBondContact O-N 3.09Å; D708-R710 WeakPolarHBondContact OD1-CB 3.29Å; D708-R710 PolarHBondContact OD1-N 2.91Å; R710-L712 VanDerWaalsContact C-N 3.33Å; R710-I713 PolarHBondContact O-N 3.09Å; R710-R714 VanDerWaalsContact O-CB 3.26Å; R710-R714 WeakPolarHBondContact O-CB 3.21Å; R710-R714 PolarHBondContact O-N 3.02Å
711T92.9Very high87.5Confident8 Ų840.1 Ų40.15%0.04920%0.203CC..Hα-helixtrans-63.9-39.7174.9-64.40000111.4D708 R714 I715D708-T711 PolarHBondContact O-N 3.11Å; D708-T711 PolarHBondContact OD1-N 3.23Å; D708-T711 VanDerWaalsContact OD1-N 3.1Å; D708-T711 WeakPolarHBondContact OD2-CB 3.46Å; D708-T711 PolarHBondContact OD2-OG1 2.9Å; T711-R714 PolarHBondContact O-N 3.41Å; T711-R714 PolarHBondContact OG1-NH2 2.76Å; T711-I715 HydrophobicContact CG2-CD1 3.67Å; T711-I715 HydrophobicContact CG2-CG1 4.39Å; T711-I715 WeakPolarHBondContact O-CG1 3.39Å; T711-I715 PolarHBondContact O-N 3.01Å
712L95.4Very high87.6Confident0 Ų040.5 Ų40.50%021%0.205CC..Hα-helixtrans-59.3-51.6175.5-179.757.9000112.2L698 M702 T707 D708 R710 I716 T747 L755L698-L712 HydrophobicContact CD2-CD1 3.59Å; M702-L712 HydrophobicContact CE-CD1 4.29Å; M702-L712 HydrophobicContact CG-CD1 4.16Å; M702-L712 HydrophobicContact CG-CD2 3.99Å; M702-L712 HydrophobicContact SD-CD1 3.89Å; M702-L712 HydrophobicContact SD-CD2 4.15Å; T707-L712 HydrophobicContact CG2-CD2 3.92Å; D708-L712 WeakPolarHBondContact O-CB 3.42Å; D708-L712 PolarHBondContact O-N 2.85Å; R710-L712 VanDerWaalsContact C-N 3.33Å; L712-I716 HydrophobicContact CD1-CG1 4.01Å; L712-I716 WeakPolarHBondContact O-CB 3.27Å; L712-I716 VanDerWaalsContact O-CG1 3.24Å; L712-I716 WeakPolarHBondContact O-CG1 3.47Å; L712-I716 PolarHBondContact O-N 2.87Å; L712-T747 HydrophobicContact CD2-CG2 3.8Å; L712-L755 HydrophobicContact CD2-CD1 3.73Å; L712-L755 HydrophobicContact CG-CD1 4.05Å
713I96.9Very high87.8Confident9 Ų940.6 Ų40.65%0.04621%0.206CC..Hα-helixtrans-62.5-45.7177.8-70.3163.5000110.6S506 D509 C510 A513 N709 R710 I715 I716 V717 L751 L755S506-I713 VanDerWaalsContact O-CD1 3.27Å; S506-I713 WeakPolarHBondContact O-CD1 3.16Å; D509-I713 HydrophobicContact CB-CD1 4.21Å; C510-I713 HydrophobicContact CB-CD1 3.9Å; C510-I713 HydrophobicContact CB-CG1 4.03Å; C510-I713 HydrophobicContact CB-CG2 4.13Å; A513-I713 HydrophobicContact CB-CG2 4.23Å; N709-I713 HydrophobicContact CB-CD1 4.46Å; N709-I713 VanDerWaalsContact O-CB 3.25Å; N709-I713 WeakPolarHBondContact O-CB 3.43Å; N709-I713 VanDerWaalsContact O-CD1 3.31Å; N709-I713 WeakPolarHBondContact O-CD1 3.38Å; N709-I713 WeakPolarHBondContact O-CG1 3.46Å; N709-I713 PolarHBondContact O-N 3.32Å; R710-I713 PolarHBondContact O-N 3.09Å; I713-I715 PolarHBondContact O-N 2.65Å; I713-I716 PolarHBondContact O-N 2.74Å; I713-V717 HydrophobicContact CG2-CG2 3.97Å; I713-V717 WeakPolarHBondContact O-CB 3.5Å; I713-V717 WeakPolarHBondContact O-CG2 3.21Å; I713-V717 PolarHBondContact O-N 2.85Å; I713-L751 HydrophobicContact CD1-CD1 4Å; I713-L751 HydrophobicContact CG1-CD1 4.17Å; I713-L755 HydrophobicContact CG1-CD2 4.48Å
714R97.2Very high88.6Confident1 Ų135.5 Ų35.50%0.00418%0.184CC..Hα-helixtrans-57.8-45.9-179.2-175.5175.364.9-115.5-4.5112.3F521 E525 E542 R710 T711 S718F521-R714 HydrophobicContact CE1-CG 4.26Å; F521-R714 HydrophobicContact CZ-CB 4.41Å; F521-R714 HydrophobicContact CZ-CG 4.36Å; E525-R714 HydrophobicContact CG-CG 4.23Å; E542-R714 IonicContact OE1-CZ 2.75Å; E542-R714 IonicContact OE1-NE 3.87Å; E542-R714 PolarHBondContact OE1-NE 3.2Å; E542-R714 IonicContact OE1-NH2 3.47Å; E542-R714 IonicContact OE2-CZ 2.68Å; E542-R714 IonicContact OE2-NE 3.77Å; E542-R714 IonicContact OE2-NH2 2.69Å; E542-R714 PolarHBondContact OE2-NH2 3.16Å; R710-R714 VanDerWaalsContact O-CB 3.26Å; R710-R714 WeakPolarHBondContact O-CB 3.21Å; R710-R714 PolarHBondContact O-N 3.02Å; T711-R714 PolarHBondContact O-N 3.41Å; T711-R714 PolarHBondContact OG1-NH2 2.76Å; R714-S718 VanDerWaalsContact O-CB 3.23Å; R714-S718 WeakPolarHBondContact O-CB 3.37Å; R714-S718 PolarHBondContact O-N 3.26Å; R714-S718 VanDerWaalsContact O-N 3.08Å; R714-S718 PolarHBondContact O-OG 3.23Å
715I96.7Very high90.4Very high0 Ų026.1 Ų26.10%015%0.153CC..Hα-helixtrans-70.3-47.7178.9-63169.6000110.8F694 K697 L698 T711 I713 V717 S718 R719F694-I715 HydrophobicContact CB-CG2 4.12Å; F694-I715 HydrophobicContact CD1-CB 4.5Å; F694-I715 HydrophobicContact CD1-CD1 4.16Å; F694-I715 HydrophobicContact CD1-CG1 3.96Å; F694-I715 HydrophobicContact CD1-CG2 3.81Å; F694-I715 HydrophobicContact CE1-CG1 4.35Å; F694-I715 HydrophobicContact CG-CG2 4.22Å; K697-I715 HydrophobicContact CB-CD1 3.58Å; L698-I715 HydrophobicContact CD1-CG2 4.02Å; L698-I715 HydrophobicContact CD2-CB 4.01Å; L698-I715 HydrophobicContact CD2-CD1 4.41Å; L698-I715 HydrophobicContact CD2-CG2 3.88Å; L698-I715 HydrophobicContact CG-CB 4.4Å; L698-I715 HydrophobicContact CG-CD1 4.32Å; L698-I715 HydrophobicContact CG-CG2 3.85Å; T711-I715 HydrophobicContact CG2-CD1 3.67Å; T711-I715 HydrophobicContact CG2-CG1 4.39Å; T711-I715 WeakPolarHBondContact O-CG1 3.39Å; T711-I715 PolarHBondContact O-N 3.01Å; I713-I715 PolarHBondContact O-N 2.65Å; I715-V717 PolarHBondContact O-N 3.35Å; I715-S718 PolarHBondContact O-N 3.33Å; I715-S718 PolarHBondContact O-OG 2.99Å; I715-R719 HydrophobicContact CG2-CG 4.23Å; I715-R719 WeakPolarHBondContact O-CB 3.35Å; I715-R719 VanDerWaalsContact O-CG 3.31Å; I715-R719 WeakPolarHBondContact O-CG 3.31Å; I715-R719 PolarHBondContact O-N 3.47Å
716I97.6Very high92.2Very high0 Ų019.5 Ų19.50%012%0.118CC..Hα-helixtrans-63.3-47.2-177.8-63.2-64.2000111.2L698 L712 I713 C720 L724 L739 I743 L755 L758 V759L698-I716 HydrophobicContact CD1-CD1 4.41Å; L698-I716 HydrophobicContact CD2-CD1 3.94Å; L698-I716 HydrophobicContact CD2-CG1 4.13Å; L712-I716 HydrophobicContact CD1-CG1 4.01Å; L712-I716 WeakPolarHBondContact O-CB 3.27Å; L712-I716 VanDerWaalsContact O-CG1 3.24Å; L712-I716 WeakPolarHBondContact O-CG1 3.47Å; L712-I716 PolarHBondContact O-N 2.87Å; I713-I716 PolarHBondContact O-N 2.74Å; I716-C720 WeakPolarHBondContact O-CB 3.42Å; I716-C720 PolarHBondContact O-N 3.47Å; I716-C720 PolarHBondContact O-SG 2.93Å; I716-C720 VanDerWaalsContact O-SG 3.35Å; I716-L724 HydrophobicContact CD1-CD1 4.1Å; I716-L724 HydrophobicContact CD1-CD2 3.99Å; I716-L724 HydrophobicContact CG2-CD2 4.32Å; I716-L739 HydrophobicContact CD1-CD2 4.06Å; I716-I743 HydrophobicContact CD1-CD1 4.37Å; I716-L755 HydrophobicContact CB-CD2 4.09Å; I716-L755 HydrophobicContact CG1-CD2 4.21Å; I716-L755 HydrophobicContact CG2-CD2 3.98Å; I716-L758 HydrophobicContact CG2-CB 3.64Å; I716-L758 HydrophobicContact CG2-CD1 3.84Å; I716-L758 HydrophobicContact CG2-CG 4.42Å; I716-V759 HydrophobicContact CD1-CG1 3.8Å
717V97.6Very high93.9Very high13 Ų1316.9 Ų16.98%0.0799%0.091CC..Hα-helixtrans-64.9-44.9179.4174.50000111.5A513 L514 F521 I713 I715 R719 C720 L758A513-V717 HydrophobicContact CB-CG1 4.28Å; A513-V717 HydrophobicContact CB-CG2 4.21Å; L514-V717 HydrophobicContact CD2-CG1 4.28Å; L514-V717 HydrophobicContact CD2-CG2 4.15Å; L514-V717 HydrophobicContact CG-CG2 4.35Å; F521-V717 HydrophobicContact CD1-CG1 4.13Å; F521-V717 HydrophobicContact CE1-CB 4.11Å; F521-V717 HydrophobicContact CE1-CG1 3.99Å; F521-V717 HydrophobicContact CZ-CB 4.33Å; F521-V717 HydrophobicContact CZ-CG1 4.31Å; I713-V717 HydrophobicContact CG2-CG2 3.97Å; I713-V717 WeakPolarHBondContact O-CB 3.5Å; I713-V717 WeakPolarHBondContact O-CG2 3.21Å; I713-V717 PolarHBondContact O-N 2.85Å; I715-V717 PolarHBondContact O-N 3.35Å; V717-R719 PolarHBondContact O-N 3.3Å; V717-C720 PolarHBondContact O-SG 2.72Å; V717-C720 VanDerWaalsContact O-SG 3.34Å; V717-L758 HydrophobicContact CG2-CD1 4.19Å
718S95.8Very high94.8Very high18 Ų1816.4 Ų16.413%0.1269%0.085CC..Hα-helixtrans-72.5-24.1-177.964.10000114.4R714 I715R714-S718 VanDerWaalsContact O-CB 3.23Å; R714-S718 WeakPolarHBondContact O-CB 3.37Å; R714-S718 PolarHBondContact O-N 3.26Å; R714-S718 VanDerWaalsContact O-N 3.08Å; R714-S718 PolarHBondContact O-OG 3.23Å; I715-S718 PolarHBondContact O-N 3.33Å; I715-S718 PolarHBondContact O-OG 2.99Å
719R95.5Very high95.3Very high3 Ų318.6 Ų18.61%0.0119%0.091CC..Hα-helixtrans-109-16.5-175-51.9-46.5-67.5177.2-9.4115.4E431 F694 I715 V717 E721 V722 D723 L724 I727E431-R719 IonicContact OE1-CZ 2.62Å; E431-R719 VanDerWaalsContact OE1-CZ 3.23Å; E431-R719 IonicContact OE1-NH1 2.71Å; E431-R719 PolarHBondContact OE1-NH1 3.12Å; E431-R719 IonicContact OE1-NH2 3.66Å; E431-R719 PolarHBondContact OE1-NH2 2.89Å; E431-R719 IonicContact OE2-NH2 2.68Å; F694-R719 HydrophobicContact CD2-CG 4.31Å; F694-R719 HydrophobicContact CE2-CG 4.27Å; F694-R719 HydrophobicContact CG-CG 4.49Å; F694-R719 HydrophobicContact CZ-CG 4.44Å; I715-R719 HydrophobicContact CG2-CG 4.23Å; I715-R719 WeakPolarHBondContact O-CB 3.35Å; I715-R719 VanDerWaalsContact O-CG 3.31Å; I715-R719 WeakPolarHBondContact O-CG 3.31Å; I715-R719 PolarHBondContact O-N 3.47Å; V717-R719 PolarHBondContact O-N 3.3Å; R719-E721 PolarHBondContact O-N 2.86Å; R719-E721 VanDerWaalsContact O-N 3.14Å; R719-V722 PolarHBondContact O-N 3.25Å; R719-D723 IonicContact CZ-OD1 2.72Å; R719-D723 IonicContact CZ-OD2 2.74Å; R719-D723 IonicContact NE-OD1 2.85Å; R719-D723 PolarHBondContact NE-OD1 3.37Å; R719-D723 IonicContact NE-OD2 3.33Å; R719-D723 IonicContact NH2-OD1 3.23Å; R719-D723 PolarHBondContact NH2-OD1 3.48Å; R719-D723 IonicContact NH2-OD2 2.65Å; R719-D723 PolarHBondContact NH2-OD2 2.9Å; R719-D723 PolarHBondContact O-N 2.7Å; R719-L724 HydrophobicContact CB-CB 4.34Å; R719-L724 WeakPolarHBondContact O-CB 3.15Å; R719-L724 PolarHBondContact O-N 2.99Å; R719-I727 HydrophobicContact CB-CD1 3.76Å; R719-I727 HydrophobicContact CG-CD1 3.79Å
720C96.7Very high95.6Very high0 Ų019.1 Ų19.10%09%0.093CC..THydrogen-bonded Turntrans-57.5-29.9-175.960.50000114.8P437 T438 L439 I716 V717 L724 L758P437-C720 CarbonylContact C-O 3.52Å; P437-C720 WeakPolarHBondContact CA-O 3.38Å; T438-C720 PolarHBondContact N-O 3.02Å; T438-C720 PolarHBondContact OG1-O 3.11Å; T438-C720 VanDerWaalsContact OG1-O 3.12Å; L439-C720 HydrophobicContact CB-CB 4.22Å; L439-C720 PolarHBondContact N-O 3.2Å; I716-C720 WeakPolarHBondContact O-CB 3.42Å; I716-C720 PolarHBondContact O-N 3.47Å; I716-C720 PolarHBondContact O-SG 2.93Å; I716-C720 VanDerWaalsContact O-SG 3.35Å; V717-C720 PolarHBondContact O-SG 2.72Å; V717-C720 VanDerWaalsContact O-SG 3.34Å; C720-L724 HydrophobicContact CB-CD2 3.77Å; C720-L758 HydrophobicContact CB-CB 4.37Å
721E94.7Very high95.8Very high14 Ų1415.4 Ų15.47%0.0658%0.078CC..THydrogen-bonded Turntrans-103.618.1177.3-63177.4-120.600112.8R428 L439 S476 S477 R480 R719R428-E721 IonicContact CZ-OE2 3.46Å; R428-E721 VanDerWaalsContact CZ-OE2 3.23Å; R428-E721 IonicContact NH1-OE2 2.69Å; R428-E721 PolarHBondContact NH1-OE2 2.85Å; R428-E721 IonicContact NH2-OE1 3.43Å; R428-E721 IonicContact NH2-OE2 3.58Å; R428-E721 PolarHBondContact NH2-OE2 2.75Å; L439-E721 HydrophobicContact CB-CG 3.89Å; L439-E721 HydrophobicContact CD2-CG 4.05Å; L439-E721 HydrophobicContact CG-CG 4.01Å; S476-E721 WeakPolarHBondContact CA-OE2 3.27Å; S476-E721 WeakPolarHBondContact CB-OE2 3.45Å; S477-E721 WeakPolarHBondContact CB-OE1 3.27Å; S477-E721 VanDerWaalsContact N-CD 3.26Å; S477-E721 PolarHBondContact N-OE1 2.84Å; S477-E721 PolarHBondContact N-OE2 2.91Å; R480-E721 IonicContact CZ-OE1 3.82Å; R480-E721 IonicContact NH1-OE1 2.74Å; R480-E721 PolarHBondContact NH1-OE1 2.72Å; R480-E721 IonicContact NH2-OE1 3.5Å; R480-E721 PolarHBondContact NH2-OE1 3.49Å; R719-E721 PolarHBondContact O-N 2.86Å; R719-E721 VanDerWaalsContact O-N 3.14Å
722V92.3Very high95.9Very high12 Ų1217 Ų177%0.0739%0.09CC..THydrogen-bonded Turntrans-127.6-84.2-178-1730000111.3E431 L435 E436 R719E431-V722 HydrophobicContact CG-CG1 3.83Å; L435-V722 CarbonylContact C-O 3.42Å; L435-V722 WeakPolarHBondContact CA-O 3.48Å; L435-V722 HydrophobicContact CD2-CG1 3.86Å; E436-V722 CarbonylContact C-O 3.43Å; E436-V722 PolarHBondContact N-O 2.81Å; R719-V722 PolarHBondContact O-N 3.25Å
723D93.2Very high96Very high2 Ų221.7 Ų21.71%0.01112%0.123CC..THydrogen-bonded Turntrans-133.814.3-168.464.1-9.4000113.5R719 G725 I726 I727R719-D723 IonicContact CZ-OD1 2.72Å; R719-D723 IonicContact CZ-OD2 2.74Å; R719-D723 IonicContact NE-OD1 2.85Å; R719-D723 PolarHBondContact NE-OD1 3.37Å; R719-D723 IonicContact NE-OD2 3.33Å; R719-D723 IonicContact NH2-OD1 3.23Å; R719-D723 PolarHBondContact NH2-OD1 3.48Å; R719-D723 IonicContact NH2-OD2 2.65Å; R719-D723 PolarHBondContact NH2-OD2 2.9Å; R719-D723 PolarHBondContact O-N 2.7Å; D723-G725 PolarHBondContact O-N 3.31Å; D723-G725 VanDerWaalsContact O-N 3.09Å; D723-I726 WeakPolarHBondContact O-CA 3.36Å; D723-I726 WeakPolarHBondContact O-CB 3.25Å; D723-I726 PolarHBondContact O-N 3.4Å; D723-I727 PolarHBondContact O-N 3.48Å; D723-I727 VanDerWaalsContact OD1-CD1 3.28Å; D723-I727 WeakPolarHBondContact OD1-CD1 3.33Å
724L96.3Very high95.8Very high0 Ų024.8 Ų24.80%014%0.139CC..Hα-helixtrans-58.7-25.7-178.5-16951.6000113T438 I716 R719 C720 I727 K728 L739 V759T438-L724 HydrophobicContact CG2-CB 4.02Å; T438-L724 HydrophobicContact CG2-CG 4.08Å; I716-L724 HydrophobicContact CD1-CD1 4.1Å; I716-L724 HydrophobicContact CD1-CD2 3.99Å; I716-L724 HydrophobicContact CG2-CD2 4.32Å; R719-L724 HydrophobicContact CB-CB 4.34Å; R719-L724 WeakPolarHBondContact O-CB 3.15Å; R719-L724 PolarHBondContact O-N 2.99Å; C720-L724 HydrophobicContact CB-CD2 3.77Å; L724-I727 HydrophobicContact CD1-CB 4.03Å; L724-I727 HydrophobicContact CD1-CD1 4.33Å; L724-I727 HydrophobicContact CD1-CG2 4.06Å; L724-I727 PolarHBondContact O-N 2.8Å; L724-K728 WeakPolarHBondContact O-CB 3.34Å; L724-K728 WeakPolarHBondContact O-CG 3.28Å; L724-K728 PolarHBondContact O-N 3.39Å; L724-L739 HydrophobicContact CD1-CD2 3.94Å; L724-V759 HydrophobicContact CD2-CG1 4.03Å
725G96.2Very high95.6Very high15 Ų1526.6 Ų26.616%0.15515%0.15CC..Hα-helixtrans-61.9-37.9169.500000113.9E436 D723 K729E436-G725 WeakPolarHBondContact O-CA 3.46Å; E436-G725 PolarHBondContact O-N 3.37Å; D723-G725 PolarHBondContact O-N 3.31Å; D723-G725 VanDerWaalsContact O-N 3.09Å; G725-K729 WeakPolarHBondContact O-CG 3.41Å
726I94.6Very high95.4Very high26 Ų2630 Ų3013%0.13319%0.185CC..Hα-helixtrans-74.5-44.8174.2-53.1-179.3000110.1P434 E436 P691 D723 K728 K729 E730P434-I726 HydrophobicContact CB-CD1 4.46Å; P434-I726 VanDerWaalsContact O-CD1 3.25Å; P434-I726 WeakPolarHBondContact O-CD1 3.33Å; E436-I726 HydrophobicContact CB-CG1 4Å; E436-I726 HydrophobicContact CG-CD1 4.3Å; E436-I726 HydrophobicContact CG-CG1 3.87Å; P691-I726 HydrophobicContact CB-CB 4.24Å; P691-I726 HydrophobicContact CB-CG2 3.66Å; P691-I726 HydrophobicContact CG-CB 4.28Å; P691-I726 HydrophobicContact CG-CG2 3.73Å; D723-I726 WeakPolarHBondContact O-CA 3.36Å; D723-I726 WeakPolarHBondContact O-CB 3.25Å; D723-I726 PolarHBondContact O-N 3.4Å; I726-K728 PolarHBondContact O-N 3.49Å; I726-K729 WeakPolarHBondContact O-CB 3.49Å; I726-K729 PolarHBondContact O-N 2.89Å; I726-E730 PolarHBondContact O-N 3.25Å; I726-E730 VanDerWaalsContact O-N 3.1Å
727I96.4Very high95.2Very high0 Ų034.1 Ų34.10%020%0.203CC..Hα-helixtrans-56.5-40.1177-64166.9000110.8P691 F694 A695 L698 R719 D723 L724 K729 E730 F731P691-I727 HydrophobicContact CB-CG1 4.01Å; F694-I727 HydrophobicContact CB-CD1 3.69Å; F694-I727 HydrophobicContact CB-CG1 4.04Å; F694-I727 HydrophobicContact CB-CG2 4.09Å; F694-I727 HydrophobicContact CD2-CD1 3.88Å; F694-I727 HydrophobicContact CG-CD1 4.06Å; A695-I727 HydrophobicContact CB-CG2 4.28Å; L698-I727 HydrophobicContact CD1-CG2 3.7Å; R719-I727 HydrophobicContact CB-CD1 3.76Å; R719-I727 HydrophobicContact CG-CD1 3.79Å; D723-I727 PolarHBondContact O-N 3.48Å; D723-I727 VanDerWaalsContact OD1-CD1 3.28Å; D723-I727 WeakPolarHBondContact OD1-CD1 3.33Å; L724-I727 HydrophobicContact CD1-CB 4.03Å; L724-I727 HydrophobicContact CD1-CD1 4.33Å; L724-I727 HydrophobicContact CD1-CG2 4.06Å; L724-I727 PolarHBondContact O-N 2.8Å; I727-K729 VanDerWaalsContact C-N 3.33Å; I727-K729 PolarHBondContact O-N 3.49Å; I727-E730 PolarHBondContact O-N 2.82Å; I727-F731 VanDerWaalsContact O-CB 3.26Å; I727-F731 WeakPolarHBondContact O-CB 3.31Å; I727-F731 PolarHBondContact O-N 3.34Å
728K97Very high95.2Very high33 Ų3336.7 Ų36.714%0.14322%0.219CC..Hα-helixtrans-60.5-36.9175-76.9169.968.4172.60113.3T438 L724 I726 S732 L739 E740 V759T438-K728 HydrophobicContact CG2-CD 3.73Å; L724-K728 WeakPolarHBondContact O-CB 3.34Å; L724-K728 WeakPolarHBondContact O-CG 3.28Å; L724-K728 PolarHBondContact O-N 3.39Å; I726-K728 PolarHBondContact O-N 3.49Å; K728-S732 WeakPolarHBondContact O-CB 3.44Å; K728-S732 PolarHBondContact O-N 3.04Å; K728-S732 PolarHBondContact O-OG 3.31Å; K728-L739 HydrophobicContact CG-CB 3.99Å; K728-L739 HydrophobicContact CG-CD2 3.69Å; K728-L739 HydrophobicContact CG-CG 4.47Å; K728-E740 WeakPolarHBondContact CE-OE1 3.42Å; K728-E740 WeakPolarHBondContact CE-OE2 3.26Å; K728-E740 IonicContact NZ-OE1 3.58Å; K728-E740 PolarHBondContact NZ-OE1 3.09Å; K728-E740 IonicContact NZ-OE2 3.71Å; K728-V759 HydrophobicContact CD-CB 4.48Å; K728-V759 PolarHBondContact NZ-O 3.09Å
729K96.4Very high95.2Very high119 Ų11935.9 Ų35.952%0.51721%0.213SC..Hα-helixtrans-68-47.3176.3-65.2164.8-177.2167.10110.8E436 G725 I726 I727 S732 S733E436-K729 IonicContact OE1-NZ 2.87Å; E436-K729 PolarHBondContact OE1-NZ 2.83Å; E436-K729 WeakPolarHBondContact OE2-CE 3.44Å; E436-K729 IonicContact OE2-NZ 3.41Å; E436-K729 PolarHBondContact OE2-NZ 3.25Å; G725-K729 WeakPolarHBondContact O-CG 3.41Å; I726-K729 WeakPolarHBondContact O-CB 3.49Å; I726-K729 PolarHBondContact O-N 2.89Å; I727-K729 VanDerWaalsContact C-N 3.33Å; I727-K729 PolarHBondContact O-N 3.49Å; K729-S732 PolarHBondContact O-N 3.29Å; K729-S733 PolarHBondContact O-N 3.03Å
730E95.6Very high95.3Very high50 Ų5038 Ų3823%0.23422%0.224CC..Hα-helixtrans-63.2-41.4175.9-70.2-70.5-176.600112.1N689 P691 K692 A695 I726 I727 S732 S733 L734N689-E730 PolarHBondContact ND2-OE1 3.09Å; P691-E730 HydrophobicContact CB-CG 4.13Å; K692-E730 HydrophobicContact CB-CB 4.34Å; K692-E730 HydrophobicContact CB-CG 4.18Å; A695-E730 HydrophobicContact CB-CB 3.94Å; I726-E730 PolarHBondContact O-N 3.25Å; I726-E730 VanDerWaalsContact O-N 3.1Å; I727-E730 PolarHBondContact O-N 2.82Å; E730-S732 VanDerWaalsContact C-N 3.34Å; E730-S732 PolarHBondContact O-N 3.45Å; E730-S733 WeakPolarHBondContact O-CB 3.49Å; E730-S733 PolarHBondContact O-N 2.99Å; E730-L734 WeakPolarHBondContact O-CB 3.21Å; E730-L734 PolarHBondContact O-N 2.87Å
731F96.4Very high95.2Very high0 Ų040.1 Ų40.10%024%0.238CC..Hα-helixtrans-61.4-41.4175.5-171.2-81.1000112.2A695 L698 E699 M702 I727 L734 T735 L739 Y742A695-F731 HydrophobicContact CB-CB 3.9Å; A695-F731 HydrophobicContact CB-CD2 4.34Å; A695-F731 WeakPolarHBondContact O-CD2 3.39Å; L698-F731 HydrophobicContact CB-CD2 3.97Å; L698-F731 HydrophobicContact CB-CE2 3.82Å; E699-F731 HydrophobicContact CB-CE2 3.97Å; M702-F731 HydrophobicContact CE-CE2 3.87Å; M702-F731 HydrophobicContact CE-CZ 3.82Å; I727-F731 VanDerWaalsContact O-CB 3.26Å; I727-F731 WeakPolarHBondContact O-CB 3.31Å; I727-F731 PolarHBondContact O-N 3.34Å; F731-L734 PolarHBondContact O-N 3.06Å; F731-T735 HydrophobicContact CD1-CG2 4.19Å; F731-T735 HydrophobicContact CE1-CG2 3.89Å; F731-T735 WeakPolarHBondContact CE1-OG1 3.47Å; F731-T735 HydrophobicContact CE2-CG2 4.32Å; F731-T735 HydrophobicContact CZ-CG2 3.96Å; F731-T735 WeakPolarHBondContact O-CB 3.46Å; F731-T735 WeakPolarHBondContact O-CG2 3.21Å; F731-T735 PolarHBondContact O-N 3.24Å; F731-T735 PolarHBondContact O-OG1 3.41Å; F731-L739 HydrophobicContact CD1-CB 4.06Å; F731-L739 HydrophobicContact CD1-CD1 4.25Å; F731-L739 HydrophobicContact CD2-CD1 3.98Å; F731-L739 HydrophobicContact CE1-CB 4.44Å; F731-L739 HydrophobicContact CE1-CD1 4.17Å; F731-L739 HydrophobicContact CE2-CD1 3.87Å; F731-L739 HydrophobicContact CG-CB 4.35Å; F731-L739 HydrophobicContact CG-CD1 4.17Å; F731-L739 HydrophobicContact CZ-CD1 3.97Å; F731-Y742 AromaticContact CE1-CD2 3.71Å; F731-Y742 HydrophobicContact CE1-CD2 3.71Å; F731-Y742 AromaticContact CE1-CG 3.89Å; F731-Y742 HydrophobicContact CE1-CG 3.89Å; F731-Y742 HydrophobicContact CZ-CD1 4.19Å; F731-Y742 AromaticContact CZ-CD2 3.64Å; F731-Y742 HydrophobicContact CZ-CD2 3.64Å; F731-Y742 HydrophobicContact CZ-CE2 4.23Å; F731-Y742 AromaticContact CZ-CG 3.61Å; F731-Y742 HydrophobicContact CZ-CG 3.61Å
732S96.4Very high95.1Very high41 Ų4140.9 Ų40.929%0.28724%0.241SC..Hα-helixtrans-66.4-38.6176.2-56.20000111.8K728 K729 E730 G736 K737K728-S732 WeakPolarHBondContact O-CB 3.44Å; K728-S732 PolarHBondContact O-N 3.04Å; K728-S732 PolarHBondContact O-OG 3.31Å; K729-S732 PolarHBondContact O-N 3.29Å; E730-S732 VanDerWaalsContact C-N 3.34Å; E730-S732 PolarHBondContact O-N 3.45Å; S732-G736 WeakPolarHBondContact O-CA 3.3Å; S732-G736 PolarHBondContact O-N 2.9Å; S732-K737 WeakPolarHBondContact CA-O 3.44Å
733S96Very high95.2Very high100 Ų10040.3 Ų40.370%0.69924%0.237SC*.Hα-helixtrans-64.3-42.3173.9-170.20000112.3K729 E730K729-S733 PolarHBondContact O-N 3.03Å; E730-S733 WeakPolarHBondContact O-CB 3.49Å; E730-S733 PolarHBondContact O-N 2.99Å
734L92.6Very high95.2Very high74 Ų7444.6 Ų44.639%0.38726%0.257SS..Hα-helixtrans-71-41.5-178.8-179.268.1000113.3E696 E699 E730 F731E696-L734 HydrophobicContact CB-CD2 4.3Å; E696-L734 HydrophobicContact CG-CD1 4.39Å; E696-L734 HydrophobicContact CG-CD2 3.66Å; E699-L734 HydrophobicContact CB-CD2 4.2Å; E699-L734 HydrophobicContact CG-CD2 4.39Å; E730-L734 WeakPolarHBondContact O-CB 3.21Å; E730-L734 PolarHBondContact O-N 2.87Å; F731-L734 PolarHBondContact O-N 3.06Å
735T92.5Very high95Very high39 Ų3948.4 Ų48.424%0.23928%0.277CS..Hα-helixtrans-108.3-18.3-167.367.80000114.9E699 F731 K737 Y742E699-T735 HydrophobicContact CB-CG2 4.27Å; E699-T735 HydrophobicContact CG-CG2 3.55Å; F731-T735 HydrophobicContact CD1-CG2 4.19Å; F731-T735 HydrophobicContact CE1-CG2 3.89Å; F731-T735 WeakPolarHBondContact CE1-OG1 3.47Å; F731-T735 HydrophobicContact CE2-CG2 4.32Å; F731-T735 HydrophobicContact CZ-CG2 3.96Å; F731-T735 WeakPolarHBondContact O-CB 3.46Å; F731-T735 WeakPolarHBondContact O-CG2 3.21Å; F731-T735 PolarHBondContact O-N 3.24Å; F731-T735 PolarHBondContact O-OG1 3.41Å; T735-K737 PolarHBondContact O-N 3.29Å; T735-K737 PolarHBondContact OG1-N 3.32Å; T735-K737 VanDerWaalsContact OG1-N 3.12Å; T735-K737 PolarHBondContact OG1-O 2.96Å; T735-Y742 HydrophobicContact CG2-CE2 4.42Å
736G94.2Very high94.7Very high71 Ų7149.9 Ų49.973%0.73228%0.28SS*.SBendtrans70.85.4-16900000114.7S732S732-G736 WeakPolarHBondContact O-CA 3.3Å; S732-G736 PolarHBondContact O-N 2.9Å
737K93.4Very high94.5Very high86 Ų8649.3 Ų49.337%0.37428%0.278SS..SBendtrans-121.5150.2174.1-78.7-169.1172.5-1710110.6S732 T735 Y742 D745S732-K737 WeakPolarHBondContact CA-O 3.44Å; T735-K737 PolarHBondContact O-N 3.29Å; T735-K737 PolarHBondContact OG1-N 3.32Å; T735-K737 VanDerWaalsContact OG1-N 3.12Å; T735-K737 PolarHBondContact OG1-O 2.96Å; K737-Y742 HydrophobicContact CB-CD2 4.16Å; K737-Y742 HydrophobicContact CD-CD2 4Å; K737-Y742 HydrophobicContact CD-CE2 4.5Å; K737-D745 IonicContact NZ-OD2 3.51Å; K737-D745 PolarHBondContact NZ-OD2 3.08Å
738T96.4Very high94.3Very high68 Ų6853.5 Ų53.542%0.41731%0.307SS..  trans-69151.8168.464.10000110.6E740 S741 Y742T738-E740 WeakPolarHBondContact CB-OE2 3.49Å; T738-E740 PolarHBondContact O-N 2.9Å; T738-S741 PolarHBondContact O-N 3.02Å; T738-S741 WeakPolarHBondContact OG1-CB 3.5Å; T738-S741 PolarHBondContact OG1-N 3.42Å; T738-Y742 PolarHBondContact O-N 3.34Å
739L96.6Very high94.2Very high0 Ų053.9 Ų53.90%032%0.321CS..Hα-helixtrans-60.9-37.9177.8-179.459000111L698 M702 I716 L724 K728 F731 Y742 I743 V759L698-L739 HydrophobicContact CD1-CD1 4.11Å; L698-L739 HydrophobicContact CD1-CD2 4.09Å; M702-L739 HydrophobicContact CE-CD1 3.76Å; I716-L739 HydrophobicContact CD1-CD2 4.06Å; L724-L739 HydrophobicContact CD1-CD2 3.94Å; K728-L739 HydrophobicContact CG-CB 3.99Å; K728-L739 HydrophobicContact CG-CD2 3.69Å; K728-L739 HydrophobicContact CG-CG 4.47Å; F731-L739 HydrophobicContact CD1-CB 4.06Å; F731-L739 HydrophobicContact CD1-CD1 4.25Å; F731-L739 HydrophobicContact CD2-CD1 3.98Å; F731-L739 HydrophobicContact CE1-CB 4.44Å; F731-L739 HydrophobicContact CE1-CD1 4.17Å; F731-L739 HydrophobicContact CE2-CD1 3.87Å; F731-L739 HydrophobicContact CG-CB 4.35Å; F731-L739 HydrophobicContact CG-CD1 4.17Å; F731-L739 HydrophobicContact CZ-CD1 3.97Å; L739-Y742 PolarHBondContact O-N 2.64Å; L739-I743 HydrophobicContact CD1-CD1 4.07Å; L739-I743 HydrophobicContact CD1-CG1 4.24Å; L739-I743 HydrophobicContact CG-CD1 3.87Å; L739-I743 HydrophobicContact CG-CG1 4.45Å; L739-I743 WeakPolarHBondContact O-CB 3.22Å; L739-I743 WeakPolarHBondContact O-CG1 3.21Å; L739-I743 PolarHBondContact O-N 3.33Å; L739-V759 HydrophobicContact CD2-CG1 3.84Å; L739-V759 HydrophobicContact CG-CG1 4.29Å
740E96.7Very high94.2Very high49 Ų4950.6 Ų50.623%0.22931%0.309CS..Hα-helixtrans-56.8-48.6174.6-60.190.5140.700111.7K728 T738 Y742 H744 L756 V759 A761K728-E740 WeakPolarHBondContact CE-OE1 3.42Å; K728-E740 WeakPolarHBondContact CE-OE2 3.26Å; K728-E740 IonicContact NZ-OE1 3.58Å; K728-E740 PolarHBondContact NZ-OE1 3.09Å; K728-E740 IonicContact NZ-OE2 3.71Å; T738-E740 WeakPolarHBondContact CB-OE2 3.49Å; T738-E740 PolarHBondContact O-N 2.9Å; E740-Y742 VanDerWaalsContact C-N 3.32Å; E740-Y742 PolarHBondContact O-N 3.37Å; E740-H744 VanDerWaalsContact O-CB 3.26Å; E740-H744 WeakPolarHBondContact O-CB 3.41Å; E740-H744 PolarHBondContact O-N 3.15Å; E740-L756 HydrophobicContact CB-CD2 4.28Å; E740-V759 HydrophobicContact CG-CG2 3.92Å; E740-A761 HydrophobicContact CB-CB 4.38Å; E740-A761 HydrophobicContact CG-CB 3.8Å
741S94.6Very high94.2Very high43 Ų4349 Ų4930%0.30130%0.301SS..Hα-helixtrans-65.6-37.2176.9177.20000111.5T738 H744 D745T738-S741 PolarHBondContact O-N 3.02Å; T738-S741 WeakPolarHBondContact OG1-CB 3.5Å; T738-S741 PolarHBondContact OG1-N 3.42Å; S741-H744 PolarHBondContact O-N 2.88Å; S741-D745 WeakPolarHBondContact O-CB 3.38Å; S741-D745 PolarHBondContact O-N 3.5Å
742Y93.3Very high94.2Very high31 Ų3152.4 Ų52.412%0.12231%0.314CS..Hα-helixtrans-69.7-44.9-179.5-142.6-72.6000111.9M702 F731 T735 K737 T738 L739 E740 H744 D745 E746M702-Y742 HydrophobicContact CB-CD1 3.68Å; M702-Y742 HydrophobicContact CB-CE1 3.55Å; M702-Y742 HydrophobicContact CE-CD1 3.82Å; M702-Y742 HydrophobicContact CE-CG 4.31Å; M702-Y742 HydrophobicContact CG-CD1 4.42Å; M702-Y742 HydrophobicContact SD-CD1 3.92Å; F731-Y742 AromaticContact CE1-CD2 3.71Å; F731-Y742 HydrophobicContact CE1-CD2 3.71Å; F731-Y742 AromaticContact CE1-CG 3.89Å; F731-Y742 HydrophobicContact CE1-CG 3.89Å; F731-Y742 HydrophobicContact CZ-CD1 4.19Å; F731-Y742 AromaticContact CZ-CD2 3.64Å; F731-Y742 HydrophobicContact CZ-CD2 3.64Å; F731-Y742 HydrophobicContact CZ-CE2 4.23Å; F731-Y742 AromaticContact CZ-CG 3.61Å; F731-Y742 HydrophobicContact CZ-CG 3.61Å; T735-Y742 HydrophobicContact CG2-CE2 4.42Å; K737-Y742 HydrophobicContact CB-CD2 4.16Å; K737-Y742 HydrophobicContact CD-CD2 4Å; K737-Y742 HydrophobicContact CD-CE2 4.5Å; T738-Y742 PolarHBondContact O-N 3.34Å; L739-Y742 PolarHBondContact O-N 2.64Å; E740-Y742 VanDerWaalsContact C-N 3.32Å; E740-Y742 PolarHBondContact O-N 3.37Å; Y742-H744 VanDerWaalsContact C-N 3.31Å; Y742-H744 PolarHBondContact O-N 2.91Å; Y742-D745 PolarHBondContact O-N 3.03Å; Y742-E746 HydrophobicContact CD1-CG 3.93Å; Y742-E746 HydrophobicContact CE1-CG 3.81Å; Y742-E746 PolarHBondContact O-N 3.46Å
743I94.4Very high94.3Very high0 Ų053.7 Ų53.70%032%0.318CS..Hα-helixtrans-60.2-42.9171.9-70.5169.4000110M702 I716 L739 D745 T747 L755 L756 V759M702-I743 HydrophobicContact CE-CG1 4.45Å; M702-I743 HydrophobicContact SD-CG1 3.81Å; I716-I743 HydrophobicContact CD1-CD1 4.37Å; L739-I743 HydrophobicContact CD1-CD1 4.07Å; L739-I743 HydrophobicContact CD1-CG1 4.24Å; L739-I743 HydrophobicContact CG-CD1 3.87Å; L739-I743 HydrophobicContact CG-CG1 4.45Å; L739-I743 WeakPolarHBondContact O-CB 3.22Å; L739-I743 WeakPolarHBondContact O-CG1 3.21Å; L739-I743 PolarHBondContact O-N 3.33Å; I743-D745 VanDerWaalsContact C-N 3.31Å; I743-D745 PolarHBondContact O-N 3Å; I743-T747 HydrophobicContact CG2-CG2 4.41Å; I743-T747 WeakPolarHBondContact O-CB 3.42Å; I743-T747 PolarHBondContact O-N 2.69Å; I743-T747 PolarHBondContact O-OG1 3.05Å; I743-L755 HydrophobicContact CD1-CB 4.48Å; I743-L755 HydrophobicContact CG2-CB 3.84Å; I743-L755 HydrophobicContact CG2-CD1 4.37Å; I743-L756 HydrophobicContact CB-CD2 4.46Å; I743-L756 HydrophobicContact CG2-CD2 4.16Å; I743-L756 HydrophobicContact CG2-CG 4.19Å; I743-V759 HydrophobicContact CD1-CG1 3.73Å; I743-V759 HydrophobicContact CD1-CG2 4.39Å
744H94.1Very high94.4Very high91 Ų9148.9 Ų48.942%0.42128%0.284SS..Hα-helixtrans-62.4-37.4179.7178.9-82.7000113.3E740 S741 Y742 R752E740-H744 VanDerWaalsContact O-CB 3.26Å; E740-H744 WeakPolarHBondContact O-CB 3.41Å; E740-H744 PolarHBondContact O-N 3.15Å; S741-H744 PolarHBondContact O-N 2.88Å; Y742-H744 VanDerWaalsContact C-N 3.31Å; Y742-H744 PolarHBondContact O-N 2.91Å; H744-R752 PolarHBondContact NE2-NH1 3.43Å; H744-R752 PolarHBondContact O-NH1 3.09Å
745D90.9Very high94.6Very high81 Ų8145.4 Ų45.443%0.43327%0.266SS..Hα-helixtrans-80-40.2-177.5-70.6-10.9000113.3K737 S741 Y742 I743K737-D745 IonicContact NZ-OD2 3.51Å; K737-D745 PolarHBondContact NZ-OD2 3.08Å; S741-D745 WeakPolarHBondContact O-CB 3.38Å; S741-D745 PolarHBondContact O-N 3.5Å; Y742-D745 PolarHBondContact O-N 3.03Å; I743-D745 VanDerWaalsContact C-N 3.31Å; I743-D745 PolarHBondContact O-N 3Å
746E90.2Very high94.9Very high46 Ų4644.8 Ų44.822%0.21526%0.261CS..Hα-helixtrans-105.23.7-171.5-57.3-74.7150.900113.5M702 R704 T707 Y742M702-E746 HydrophobicContact CB-CB 4.17Å; M702-E746 HydrophobicContact CB-CG 4.47Å; M702-E746 WeakPolarHBondContact O-CG 3.49Å; R704-E746 IonicContact NE-OE1 3.58Å; T707-E746 PolarHBondContact OG1-O 2.87Å; Y742-E746 HydrophobicContact CD1-CG 3.93Å; Y742-E746 HydrophobicContact CE1-CG 3.81Å; Y742-E746 PolarHBondContact O-N 3.46Å
747T91Very high95Very high13 Ų1341.9 Ų41.98%0.0823%0.23CC..  trans-128167.2171.276.70000112.3T707 L712 I743 R752 L755T707-T747 HydrophobicContact CG2-CG2 4.44Å; L712-T747 HydrophobicContact CD2-CG2 3.8Å; I743-T747 HydrophobicContact CG2-CG2 4.41Å; I743-T747 WeakPolarHBondContact O-CB 3.42Å; I743-T747 PolarHBondContact O-N 2.69Å; I743-T747 PolarHBondContact O-OG1 3.05Å; T747-R752 WeakPolarHBondContact OG1-CA 3.3Å; T747-R752 WeakPolarHBondContact OG1-CB 3.46Å; T747-R752 WeakPolarHBondContact OG1-CG 3.4Å; T747-L755 HydrophobicContact CG2-CD1 4.2Å
748S91.6Very high95.2Very high89 Ų8937.8 Ų37.862%0.62221%0.212SC*.  trans-150.2172.6-177.565.50000112.6R752S748-R752 PolarHBondContact O-N 2.74Å
749G94.9Very high95.2Very high41 Ų4134.5 Ų34.542%0.42319%0.192SC..Hα-helixtrans60.8-152.8178.800000113.5L751 R752 L753G749-L751 VanDerWaalsContact C-N 3.31Å; G749-L751 PolarHBondContact O-N 3.43Å; G749-R752 WeakPolarHBondContact O-CB 3.41Å; G749-R752 PolarHBondContact O-N 3.47Å; G749-L753 PolarHBondContact O-N 3.39Å
750D96.4Very high95Very high50 Ų5036.9 Ų36.927%0.26722%0.216SC..Hα-helixtrans-72-25.2-176.9-53.1-70.7000112.8E465 I469 F507 R752 L753 I754E465-D750 HydrophobicContact CB-CB 4.16Å; E465-D750 HydrophobicContact CG-CB 4.48Å; I469-D750 HydrophobicContact CD1-CB 4.15Å; F507-D750 HydrophobicContact CD1-CB 3.86Å; F507-D750 HydrophobicContact CD2-CB 3.83Å; F507-D750 HydrophobicContact CE1-CB 3.85Å; F507-D750 HydrophobicContact CE2-CB 3.84Å; F507-D750 HydrophobicContact CG-CB 3.85Å; F507-D750 HydrophobicContact CZ-CB 3.85Å; D750-R752 VanDerWaalsContact C-N 3.32Å; D750-R752 PolarHBondContact O-N 3.08Å; D750-L753 PolarHBondContact O-N 2.94Å; D750-L753 VanDerWaalsContact O-N 3.15Å; D750-I754 WeakPolarHBondContact O-CG2 3.48Å; D750-I754 PolarHBondContact O-N 2.91Å
751L96.1Very high94.3Very high15 Ų1539.4 Ų39.48%0.07925%0.246CC..Hα-helixtrans-56.1-46.6168.2177.265.6000111.1F507 C510 I713 G749 L753 I754 L755F507-L751 HydrophobicContact CB-CB 4.49Å; C510-L751 HydrophobicContact CB-CD1 4.27Å; I713-L751 HydrophobicContact CD1-CD1 4Å; I713-L751 HydrophobicContact CG1-CD1 4.17Å; G749-L751 VanDerWaalsContact C-N 3.31Å; G749-L751 PolarHBondContact O-N 3.43Å; L751-L753 VanDerWaalsContact C-N 3.3Å; L751-L753 PolarHBondContact O-N 3.38Å; L751-I754 HydrophobicContact CD1-CG2 4.49Å; L751-I754 VanDerWaalsContact O-CG2 3.29Å; L751-I754 WeakPolarHBondContact O-CG2 3.48Å; L751-L755 HydrophobicContact CD1-CD1 3.84Å; L751-L755 HydrophobicContact CD1-CG 4Å; L751-L755 HydrophobicContact CD2-CD1 4.48Å; L751-L755 HydrophobicContact CG-CD1 3.83Å; L751-L755 HydrophobicContact CG-CG 4.36Å; L751-L755 WeakPolarHBondContact O-CB 3.48Å; L751-L755 VanDerWaalsContact O-CG 3.22Å; L751-L755 WeakPolarHBondContact O-CG 3.45Å; L751-L755 PolarHBondContact O-N 3.5Å
752R96.5Very high94.2Very high72 Ų7239.3 Ų39.327%0.27224%0.243SC..Hα-helixtrans-60.4-43.2176.3-179176.257.6178.85.5111.3H744 T747 S748 G749 D750 L755 L756H744-R752 PolarHBondContact NE2-NH1 3.43Å; H744-R752 PolarHBondContact O-NH1 3.09Å; T747-R752 WeakPolarHBondContact OG1-CA 3.3Å; T747-R752 WeakPolarHBondContact OG1-CB 3.46Å; T747-R752 WeakPolarHBondContact OG1-CG 3.4Å; S748-R752 PolarHBondContact O-N 2.74Å; G749-R752 WeakPolarHBondContact O-CB 3.41Å; G749-R752 PolarHBondContact O-N 3.47Å; D750-R752 VanDerWaalsContact C-N 3.32Å; D750-R752 PolarHBondContact O-N 3.08Å; R752-L755 PolarHBondContact O-N 3.39Å; R752-L756 HydrophobicContact CG-CD1 3.82Å; R752-L756 HydrophobicContact CG-CG 4.27Å; R752-L756 WeakPolarHBondContact O-CB 3.41Å; R752-L756 VanDerWaalsContact O-CG 3.22Å; R752-L756 WeakPolarHBondContact O-CG 3.27Å; R752-L756 PolarHBondContact O-N 3.19Å
753L97.4Very high94.3Very high68 Ų6839.7 Ų39.736%0.35625%0.249SC..Hα-helixtrans-65.9-43.3-177.4-65.7179000112.1I469 G749 D750 L751 A757I469-L753 HydrophobicContact CD1-CB 3.64Å; G749-L753 PolarHBondContact O-N 3.39Å; D750-L753 PolarHBondContact O-N 2.94Å; D750-L753 VanDerWaalsContact O-N 3.15Å; L751-L753 VanDerWaalsContact C-N 3.3Å; L751-L753 PolarHBondContact O-N 3.38Å; L753-A757 PolarHBondContact O-N 3.46Å; L753-A757 VanDerWaalsContact O-N 3.09Å
754I98Very high94.3Very high0 Ų041.9 Ų41.90%026%0.263CS..Hα-helixtrans-68.3-42.5175.8-170.160.9000111.7I469 F507 C510 M511 L514 D750 L751 L756 A757 L758I469-I754 HydrophobicContact CB-CD1 4.4Å; I469-I754 HydrophobicContact CD1-CB 4.28Å; I469-I754 HydrophobicContact CG1-CB 4.09Å; I469-I754 HydrophobicContact CG1-CD1 4.25Å; I469-I754 HydrophobicContact CG2-CB 4.48Å; I469-I754 HydrophobicContact CG2-CD1 4.03Å; F507-I754 HydrophobicContact CD2-CG2 3.9Å; F507-I754 HydrophobicContact CE2-CB 4.13Å; F507-I754 HydrophobicContact CE2-CG2 3.98Å; C510-I754 HydrophobicContact CB-CG2 4.29Å; M511-I754 HydrophobicContact SD-CD1 4.37Å; M511-I754 HydrophobicContact SD-CG1 4.35Å; L514-I754 HydrophobicContact CD1-CD1 3.83Å; L514-I754 HydrophobicContact CD1-CG1 3.8Å; D750-I754 WeakPolarHBondContact O-CG2 3.48Å; D750-I754 PolarHBondContact O-N 2.91Å; L751-I754 HydrophobicContact CD1-CG2 4.49Å; L751-I754 VanDerWaalsContact O-CG2 3.29Å; L751-I754 WeakPolarHBondContact O-CG2 3.48Å; I754-L756 VanDerWaalsContact C-N 3.31Å; I754-L756 PolarHBondContact O-N 3.44Å; I754-A757 PolarHBondContact O-N 2.66Å; I754-L758 HydrophobicContact CG1-CD1 4.39Å; I754-L758 HydrophobicContact CG1-CG 4.48Å; I754-L758 VanDerWaalsContact O-CG 3.32Å; I754-L758 WeakPolarHBondContact O-CG 3.38Å; I754-L758 PolarHBondContact O-N 2.64Å
755L97.8Very high94.3Very high0 Ų039 Ų390%025%0.254CS..Hα-helixtrans-62.4-38.7177.6-69.7175.6000111.9L712 I713 I716 I743 T747 L751 R752 L758 V759L712-L755 HydrophobicContact CD2-CD1 3.73Å; L712-L755 HydrophobicContact CG-CD1 4.05Å; I713-L755 HydrophobicContact CG1-CD2 4.48Å; I716-L755 HydrophobicContact CB-CD2 4.09Å; I716-L755 HydrophobicContact CG1-CD2 4.21Å; I716-L755 HydrophobicContact CG2-CD2 3.98Å; I743-L755 HydrophobicContact CD1-CB 4.48Å; I743-L755 HydrophobicContact CG2-CB 3.84Å; I743-L755 HydrophobicContact CG2-CD1 4.37Å; T747-L755 HydrophobicContact CG2-CD1 4.2Å; L751-L755 HydrophobicContact CD1-CD1 3.84Å; L751-L755 HydrophobicContact CD1-CG 4Å; L751-L755 HydrophobicContact CD2-CD1 4.48Å; L751-L755 HydrophobicContact CG-CD1 3.83Å; L751-L755 HydrophobicContact CG-CG 4.36Å; L751-L755 WeakPolarHBondContact O-CB 3.48Å; L751-L755 VanDerWaalsContact O-CG 3.22Å; L751-L755 WeakPolarHBondContact O-CG 3.45Å; L751-L755 PolarHBondContact O-N 3.5Å; R752-L755 PolarHBondContact O-N 3.39Å; L755-L758 PolarHBondContact O-N 3.17Å; L755-V759 WeakPolarHBondContact O-CG2 3.36Å; L755-V759 PolarHBondContact O-N 3.33Å; L755-V759 VanDerWaalsContact O-N 3.09Å
756L97.6Very high94.5Very high27 Ų2736.4 Ų36.414%0.14124%0.243CC..Hα-helixtrans-62.9-45.3174.2-75.7175.4000112.1E740 I743 R752 I754 L758 V759 G760 A761E740-L756 HydrophobicContact CB-CD2 4.28Å; I743-L756 HydrophobicContact CB-CD2 4.46Å; I743-L756 HydrophobicContact CG2-CD2 4.16Å; I743-L756 HydrophobicContact CG2-CG 4.19Å; R752-L756 HydrophobicContact CG-CD1 3.82Å; R752-L756 HydrophobicContact CG-CG 4.27Å; R752-L756 WeakPolarHBondContact O-CB 3.41Å; R752-L756 VanDerWaalsContact O-CG 3.22Å; R752-L756 WeakPolarHBondContact O-CG 3.27Å; R752-L756 PolarHBondContact O-N 3.19Å; I754-L756 VanDerWaalsContact C-N 3.31Å; I754-L756 PolarHBondContact O-N 3.44Å; L756-L758 VanDerWaalsContact C-N 3.34Å; L756-L758 PolarHBondContact O-N 2.98Å; L756-V759 HydrophobicContact CD2-CG2 4.4Å; L756-V759 WeakPolarHBondContact O-CG2 3.04Å; L756-V759 PolarHBondContact O-N 3.01Å; L756-G760 PolarHBondContact O-N 3.43Å; L756-A761 HydrophobicContact CB-CB 4.18Å; L756-A761 HydrophobicContact CD2-CB 3.97Å; L756-A761 WeakPolarHBondContact O-CB 3.5Å; L756-A761 PolarHBondContact O-N 3.47Å
757A97.3Very high94.8Very high9 Ų935.7 Ų35.77%0.07425%0.245CC..Hα-helixtrans-58.4-44.4174.500000112I469 L753 I754 V759 G760I469-A757 HydrophobicContact CG2-CB 4.3Å; L753-A757 PolarHBondContact O-N 3.46Å; L753-A757 VanDerWaalsContact O-N 3.09Å; I754-A757 PolarHBondContact O-N 2.66Å; A757-V759 PolarHBondContact O-N 3.44Å; A757-G760 PolarHBondContact O-N 3.45Å
758L97.9Very high95.1Very high0 Ų037.4 Ų37.40%026%0.256CS..Hα-helixtrans-66.3-32.5179.8-64177.5000113.7T438 L439 L514 I716 V717 C720 I754 L755 L756 G760T438-L758 WeakPolarHBondContact CB-O 3.29Å; T438-L758 PolarHBondContact OG1-O 3.43Å; L439-L758 HydrophobicContact CD2-CD2 3.71Å; L514-L758 HydrophobicContact CD1-CD1 4.26Å; L514-L758 HydrophobicContact CD1-CD2 4.36Å; L514-L758 HydrophobicContact CD2-CD1 4.04Å; L514-L758 HydrophobicContact CD2-CD2 3.77Å; I716-L758 HydrophobicContact CG2-CB 3.64Å; I716-L758 HydrophobicContact CG2-CD1 3.84Å; I716-L758 HydrophobicContact CG2-CG 4.42Å; V717-L758 HydrophobicContact CG2-CD1 4.19Å; C720-L758 HydrophobicContact CB-CB 4.37Å; I754-L758 HydrophobicContact CG1-CD1 4.39Å; I754-L758 HydrophobicContact CG1-CG 4.48Å; I754-L758 VanDerWaalsContact O-CG 3.32Å; I754-L758 WeakPolarHBondContact O-CG 3.38Å; I754-L758 PolarHBondContact O-N 2.64Å; L755-L758 PolarHBondContact O-N 3.17Å; L756-L758 VanDerWaalsContact C-N 3.34Å; L756-L758 PolarHBondContact O-N 2.98Å; L758-G760 VanDerWaalsContact C-N 3.25Å
759V96.6Very high95.3Very high0 Ų033.4 Ų33.40%023%0.228CC..Hα-helixtrans-80.7-3.2172.2-60.50000113.4T438 I716 L724 K728 L739 E740 I743 L755 L756 A757 A761T438-V759 WeakPolarHBondContact CG2-O 3.49Å; I716-V759 HydrophobicContact CD1-CG1 3.8Å; L724-V759 HydrophobicContact CD2-CG1 4.03Å; K728-V759 HydrophobicContact CD-CB 4.48Å; K728-V759 PolarHBondContact NZ-O 3.09Å; L739-V759 HydrophobicContact CD2-CG1 3.84Å; L739-V759 HydrophobicContact CG-CG1 4.29Å; E740-V759 HydrophobicContact CG-CG2 3.92Å; I743-V759 HydrophobicContact CD1-CG1 3.73Å; I743-V759 HydrophobicContact CD1-CG2 4.39Å; L755-V759 WeakPolarHBondContact O-CG2 3.36Å; L755-V759 PolarHBondContact O-N 3.33Å; L755-V759 VanDerWaalsContact O-N 3.09Å; L756-V759 HydrophobicContact CD2-CG2 4.4Å; L756-V759 WeakPolarHBondContact O-CG2 3.04Å; L756-V759 PolarHBondContact O-N 3.01Å; A757-V759 PolarHBondContact O-N 3.44Å; V759-A761 HydrophobicContact CG2-CB 4.18Å
760G91.5Very high95.4Very high49 Ų4932.8 Ų32.851%0.50521%0.212SC..THydrogen-bonded Turntrans77.348178.700000113.9L756 A757 L758L756-G760 PolarHBondContact O-N 3.43Å; A757-G760 PolarHBondContact O-N 3.45Å; L758-G760 VanDerWaalsContact C-N 3.25Å
761A81.4Confident95.3Very high103 Ų10331.2 Ų31.285%0.85121%0.207SC*.  trans-113.50-179.700000113.2E740 L756 V759E740-A761 HydrophobicContact CB-CB 4.38Å; E740-A761 HydrophobicContact CG-CB 3.8Å; L756-A761 HydrophobicContact CB-CB 4.18Å; L756-A761 HydrophobicContact CD2-CB 3.97Å; L756-A761 WeakPolarHBondContact O-CB 3.5Å; L756-A761 PolarHBondContact O-N 3.47Å; V759-A761 HydrophobicContact CG2-CB 4.18Å

Retrieved 761 of 761 residues in 693.2 ms (Link to these results)

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