A0A087XTP1_POEFO Loading...

CHHC U11-48K-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XTP1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 179 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
1M49.4Very low54.7Low249 Ų249143.9 Ų143.9100%1.22785%0.853SS**  0102.10-69179.3179.600107.5
2A50.7Low54.5Low95 Ų95141.8 Ų141.879%0.78585%0.847SS**  trans-124.2110.7179.400000107.7I4A2-I4 PolarHBondContact O-N 3.41Å
3S53Low53.4Low115 Ų115141.3 Ų141.380%0.80485%0.852SS**  trans-79.8108.3-178.1-56.60000109.9
4I66.1Low53Low157 Ų157145.5 Ų145.581%0.80585%0.853SS**PPolyproline II helixtrans-86.6117.2167.624.6171.3000108.5A2A2-I4 PolarHBondContact O-N 3.41Å
5K63.7Low52.7Low199 Ų199144 Ų14487%0.86585%0.846SS**PPolyproline II helixtrans-90.2131.8175.7-67.1180177.4177.90109
6F50Low51.8Low202 Ų202142.3 Ų142.389%0.88684%0.84SS**PPolyproline II helixtrans-73.8128.6175-68.8-89.4000110.4
7G48.9Very low51.6Low80 Ų80140.2 Ų140.283%0.82584%0.835SS**  trans-103.3110.8171.600000110.2
8T54.7Low51.1Low127 Ų127141.8 Ų141.878%0.77983%0.832SS**  trans-87.5119.4170-42.40000107.9T10T8-T10 HydrophobicContact CG2-CG2 4.34Å
9S56.5Low51.1Low123 Ų123143.9 Ų143.986%0.8683%0.833SS**  trans-111.696.516669.60000109.7
10T57.5Low50.4Low117 Ų117147.4 Ų147.472%0.71883%0.832SS**  trans-95.9120.2160.747.30000108T8T8-T10 HydrophobicContact CG2-CG2 4.34Å
11S51.8Low50Low119 Ų119148.7 Ų148.783%0.83283%0.831SS**  trans-173.9154.5149.5-87.60000112.1
12P52.2Low49.8Very low119 Ų119145.4 Ų145.477%0.77381%0.812SS**  trans-112.2144.6-133.432.4-20000113.6
13C40.1Very low49.4Very low135 Ų135147 Ų14791%0.91280%0.804SS**  trans-104.8117.6171.6-69.70000111
14K48Very low49.2Very low200 Ų200147.2 Ų147.287%0.8780%0.8SS**  trans-62.9134.2-179.2-170.4168.6179.2179.40111.6
15V47.6Very low48.4Very low123 Ų123147.1 Ų147.175%0.74580%0.796SS**  trans-70143.1169.1-67.70000110.6
16P39.3Very low47.8Very low117 Ų117145.2 Ų145.276%0.7680%0.795SS**  trans-91.9111.9150.616.61.3000108.5
17S47.1Very low47.9Very low106 Ų106143.4 Ų143.474%0.74178%0.784SS**  trans-70.2112.1153.624.80000108.1
18E43.5Very low48Very low170 Ų170145 Ų14579%0.79477%0.773SS**  trans-125.2103.7156.2-83.5178166.800106.4R20E18-R20 PolarHBondContact O-N 3.14Å; E18-R20 VanDerWaalsContact O-N 3.14Å
19E50Low48.1Very low181 Ų181144.5 Ų144.585%0.84678%0.775SS**  trans-19101.714750.2-138.712600113.6
20R37.9Very low48.1Very low214 Ų214149 Ų14981%0.80877%0.773SS**  trans-89.7114.6162.8-173.3169.2177.5138.20.9108.1E18 E23E18-R20 PolarHBondContact O-N 3.14Å; E18-R20 VanDerWaalsContact O-N 3.14Å; R20-E23 IonicContact CZ-OE1 3.86Å; R20-E23 IonicContact NE-OE1 3.89Å; R20-E23 IonicContact NH2-OE1 2.94Å; R20-E23 PolarHBondContact NH2-OE1 2.94Å
21E41.1Very low48.2Very low174 Ų174147.1 Ų147.181%0.81377%0.77SS**  trans-49.8147.8176.1-62.6168.6156.800112.4E23E21-E23 PolarHBondContact O-N 3.2Å
22E46.9Very low48.4Very low180 Ų180148 Ų14884%0.84177%0.765SS**  trans-55.4111.1176.4-67.7171.9136.700111.5V24E22-V24 HydrophobicContact CB-CG2 4.04Å
23E40.8Very low49Very low130 Ų130145.3 Ų145.361%0.60775%0.749SS**  trans-96.284.5152.9-65.6-178.9-131.300106.2R20 E21 E25R20-E23 IonicContact CZ-OE1 3.86Å; R20-E23 IonicContact NE-OE1 3.89Å; R20-E23 IonicContact NH2-OE1 2.94Å; R20-E23 PolarHBondContact NH2-OE1 2.94Å; E21-E23 PolarHBondContact O-N 3.2Å; E23-E25 PolarHBondContact O-N 2.93Å
24V49.9Very low51Low119 Ų119142.8 Ų142.872%0.72173%0.726SS**  trans-69.885.2164.2-164.60000105.8E22 D26E22-V24 HydrophobicContact CB-CG2 4.04Å; V24-D26 PolarHBondContact O-N 3.33Å
25E49.8Very low52.8Low155 Ų155136.5 Ų136.572%0.72471%0.706SS**  trans-68.792.2165.2-69.5-154.9166.200107.7E23 Y27E23-E25 PolarHBondContact O-N 2.93Å; E25-Y27 PolarHBondContact O-N 2.91Å
26D50.7Low54.7Low158 Ų158134.9 Ų134.985%0.84569%0.693SS**  trans-62.670.3158.2-176.944.8000108.5V24V24-D26 PolarHBondContact O-N 3.33Å
27Y51.3Low57.2Low165 Ų165135.3 Ų135.365%0.64768%0.683SS**  trans-89.5106.7168.3-172-99.4000106.8E25 S29E25-Y27 PolarHBondContact O-N 2.91Å; Y27-S29 WeakPolarHBondContact O-CA 3.49Å; Y27-S29 PolarHBondContact O-N 2.82Å; Y27-S29 PolarHBondContact O-OG 3.17Å
28D52.4Low59.3Low112 Ų112135.2 Ų135.260%0.59967%0.674SS**  trans-3097.4174.5-176.13.4000111.4R30D28-R30 PolarHBondContact O-N 2.98Å; D28-R30 PolarHBondContact OD1-N 2.78Å
29S55.5Low61.6Low118 Ų118128.6 Ų128.683%0.82564%0.643SS**  trans-7918.2-169.4-63.80000112.4Y27 A31Y27-S29 WeakPolarHBondContact O-CA 3.49Å; Y27-S29 PolarHBondContact O-N 2.82Å; Y27-S29 PolarHBondContact O-OG 3.17Å; S29-A31 PolarHBondContact O-N 3.2Å
30R57.4Low63.7Low216 Ų216123.7 Ų123.782%0.81562%0.621SS**SBendtrans-73.772.5165.9-77.5-172.7159.9112.9-2.1110.4D28 N32D28-R30 PolarHBondContact O-N 2.98Å; D28-R30 PolarHBondContact OD1-N 2.78Å; R30-N32 PolarHBondContact O-N 3.42Å
31A58.8Low66.3Low79 Ų79113.7 Ų113.765%0.65358%0.583SS**  trans21.473.4151.500000115.5S29 C33S29-A31 PolarHBondContact O-N 3.2Å; A31-C33 PolarHBondContact O-N 2.9Å
32N55.4Low68.6Low137 Ų137108.5 Ų108.573%0.73357%0.565SS**  trans-65.585157.4-171.612.8000107.5R30 D34R30-N32 PolarHBondContact O-N 3.42Å; N32-D34 VanDerWaalsContact C-N 3.29Å; N32-D34 PolarHBondContact O-N 3.36Å
33C66.3Low70.6Confident62 Ų62100.5 Ų100.542%0.41953%0.527SS..  trans-66.193.5173.5-76.30000107.5A31 P35 R80A31-C33 PolarHBondContact O-N 2.9Å; C33-P35 WeakPolarHBondContact O-CD 3.41Å; C33-R80 PolarHBondContact SG-NH1 3.44Å
34D82.3Confident72.8Confident83 Ų8396.3 Ų96.344%0.44451%0.509SS..  trans-42.6115.1174.1169.411.3000109.5N32 D36 K37N32-D34 VanDerWaalsContact C-N 3.29Å; N32-D34 PolarHBondContact O-N 3.36Å; D34-D36 PolarHBondContact O-N 3.26Å; D34-D36 PolarHBondContact OD1-N 3.26Å; D34-K37 HydrophobicContact CB-CB 4.05Å; D34-K37 VanDerWaalsContact O-CB 3.25Å; D34-K37 WeakPolarHBondContact O-CB 3.48Å; D34-K37 PolarHBondContact O-N 3.09Å; D34-K37 VanDerWaalsContact O-N 3.11Å
35P84Confident74.7Confident68 Ų6899.3 Ų99.344%0.44251%0.512SS..THydrogen-bonded Turntrans-63.5-25.9-171.624.7-34.5000112.4C33 C52C33-P35 WeakPolarHBondContact O-CD 3.41Å; P35-C52 HydrophobicContact CB-CB 4.37Å; P35-C52 PolarHBondContact O-N 2.85Å; P35-C52 PolarHBondContact O-SG 2.95Å
36D87.9Confident76.7Confident89 Ų8998.5 Ų98.548%0.47651%0.513SS..THydrogen-bonded Turntrans-92.6-6.5-179.4-75.5-44.4000113.4D34 L38 R50D34-D36 PolarHBondContact O-N 3.26Å; D34-D36 PolarHBondContact OD1-N 3.26Å; D36-L38 PolarHBondContact O-N 3.43Å; D36-R50 WeakPolarHBondContact OD1-CD 3.31Å; D36-R50 IonicContact OD1-CZ 3.49Å; D36-R50 IonicContact OD1-NE 3.66Å; D36-R50 IonicContact OD1-NH1 2.83Å; D36-R50 PolarHBondContact OD1-NH1 2.77Å
37K91.3Very high78.6Confident125 Ų12594.4 Ų94.454%0.54349%0.488SS..  trans-55.8126.2174.9-175.1174.4-178.7175.90110.8D34 R50 S51D34-K37 HydrophobicContact CB-CB 4.05Å; D34-K37 VanDerWaalsContact O-CB 3.25Å; D34-K37 WeakPolarHBondContact O-CB 3.48Å; D34-K37 PolarHBondContact O-N 3.09Å; D34-K37 VanDerWaalsContact O-N 3.11Å; K37-R50 CarbonylContact O-C 3.6Å; K37-R50 WeakPolarHBondContact O-CA 3.39Å; K37-S51 PolarHBondContact O-N 3.15Å
38L92.6Very high80.7Confident105 Ų10593.6 Ų93.655%0.5549%0.488SS..EExtended strand (participates in β ladder)trans-82124.7178.3-64.7175.7000110.8D36 I49 R50D36-L38 PolarHBondContact O-N 3.43Å; L38-I49 CarbonylContact C-O 3.51Å; L38-R50 HydrophobicContact CD2-CG 3.73Å
39L90.9Very high82.7Confident30 Ų3089.2 Ų89.216%0.15747%0.465CS..EExtended strand (participates in β ladder)trans-108.1142.1175-57177.6000109.9K48 I49 F54 R80L39-K48 WeakPolarHBondContact O-CA 3.42Å; L39-I49 PolarHBondContact N-O 2.8Å; L39-I49 PolarHBondContact O-N 3.09Å; L39-F54 HydrophobicContact CB-CD2 3.65Å; L39-F54 HydrophobicContact CB-CE2 3.61Å; L39-F54 HydrophobicContact CB-CG 4.32Å; L39-F54 HydrophobicContact CB-CZ 4.23Å; L39-F54 HydrophobicContact CD1-CB 4.13Å; L39-F54 HydrophobicContact CD1-CD1 4.16Å; L39-F54 HydrophobicContact CD1-CD2 4.08Å; L39-F54 HydrophobicContact CD1-CE2 4.5Å; L39-F54 HydrophobicContact CD1-CG 3.89Å; L39-F54 HydrophobicContact CG-CD2 4.48Å; L39-R80 VanDerWaalsContact CD1-NH2 3.32Å
40Q93.9Very high84.5Confident79 Ų7990.1 Ų90.137%0.36945%0.45SS..EExtended strand (participates in β ladder)trans-82.3134.2176.8-172.260.85700110.4D44 K45 H47Q40-D44 PolarHBondContact NE2-O 3.06Å; Q40-D44 VanDerWaalsContact NE2-O 3.09Å; Q40-K45 VanDerWaalsContact CD-O 3.31Å; Q40-K45 PolarHBondContact NE2-O 3.29Å; Q40-K45 PolarHBondContact OE1-O 2.87Å; Q40-H47 PolarHBondContact NE2-O 3.07Å
41C92.8Very high86.1Confident3 Ų380.3 Ų80.32%0.0242%0.415CS..  trans-72.5135.5175.6-175.40000112F43 D44 H47 I49 H57C41-F43 PolarHBondContact SG-N 3.24Å; C41-F43 VanDerWaalsContact SG-N 3.39Å; C41-D44 WeakPolarHBondContact CB-O 3.49Å; C41-D44 CarbonylContact O-C 3.57Å; C41-H47 HydrophobicContact CB-CB 3.78Å; C41-H47 PolarHBondContact N-O 3.42Å; C41-I49 HydrophobicContact CB-CD1 3.84Å; C41-H57 WeakPolarHBondContact CB-NE2 3.36Å; C41-H57 PolarHBondContact SG-NE2 3.19Å
42P88.9Confident87.6Confident66 Ų6680.1 Ų80.143%0.42941%0.408SS..SBendtrans-71.8-25.2174.8-25.338.8000114.4L72 L82P42-L72 HydrophobicContact CB-CD1 4.41Å; P42-L82 HydrophobicContact CB-CD1 3.98Å; P42-L82 HydrophobicContact CG-CB 4.32Å; P42-L82 HydrophobicContact CG-CD1 3.7Å
43F89.4Confident89.4Confident12 Ų1281.6 Ų81.65%0.05340%0.403CS..SBendtrans-78.3-27.4177.7-59.7-61.6000112.7C41 L58 C61 R62 H65 L68 L72 L82C41-F43 PolarHBondContact SG-N 3.24Å; C41-F43 VanDerWaalsContact SG-N 3.39Å; F43-L58 HydrophobicContact CD2-CD2 4.36Å; F43-L58 HydrophobicContact CE2-CD2 4.17Å; F43-C61 HydrophobicContact CD2-CB 4.09Å; F43-R62 HydrophobicContact CE2-CB 4.02Å; F43-R62 HydrophobicContact CZ-CB 4.08Å; F43-R62 HydrophobicContact CZ-CG 4.13Å; F43-H65 HydrophobicContact CB-CB 4.29Å; F43-L68 HydrophobicContact CD1-CB 3.79Å; F43-L68 HydrophobicContact CE1-CB 4.28Å; F43-L68 WeakPolarHBondContact O-CD1 3.46Å; F43-L72 HydrophobicContact CD1-CD1 4.19Å; F43-L72 HydrophobicContact CE1-CB 4.38Å; F43-L72 HydrophobicContact CE1-CD1 3.89Å; F43-L82 HydrophobicContact CD2-CD1 4.36Å; F43-L82 HydrophobicContact CE2-CD1 3.7Å; F43-L82 HydrophobicContact CZ-CD1 3.83Å; F43-L82 HydrophobicContact CZ-CD2 4.3Å
44D88.3Confident90.7Very high41 Ų4179.1 Ų79.122%0.21939%0.385CS..  trans-150.2122.5-177-170.5-13.3000111.6Q40 C41 N46 H47Q40-D44 PolarHBondContact NE2-O 3.06Å; Q40-D44 VanDerWaalsContact NE2-O 3.09Å; C41-D44 WeakPolarHBondContact CB-O 3.49Å; C41-D44 CarbonylContact O-C 3.57Å; D44-N46 PolarHBondContact O-N 3.39Å; D44-N46 WeakPolarHBondContact OD1-CB 3.17Å; D44-N46 PolarHBondContact OD1-N 2.92Å; D44-N46 PolarHBondContact OD1-OD1 3.43Å; D44-H47 PolarHBondContact O-N 2.66Å; D44-H47 IonicContact OD2-CE1 2.92Å; D44-H47 PolarHBondContact OD2-CE1 2.99Å; D44-H47 IonicContact OD2-ND1 3.65Å; D44-H47 IonicContact OD2-NE2 3.58Å
45K88.8Confident91.1Very high183 Ų18377.1 Ų77.180%0.79638%0.377SS*.THydrogen-bonded Turntrans-70.7-9.8179.6-62.5-178.6-176.3-179.90113.2Q40Q40-K45 VanDerWaalsContact CD-O 3.31Å; Q40-K45 PolarHBondContact NE2-O 3.29Å; Q40-K45 PolarHBondContact OE1-O 2.87Å
46N91.4Very high91.5Very high138 Ų13881.6 Ų81.674%0.73839%0.386SS*.THydrogen-bonded Turntrans-88.3-17.5177.5-67.165.4000112.4D44D44-N46 PolarHBondContact O-N 3.39Å; D44-N46 WeakPolarHBondContact OD1-CB 3.17Å; D44-N46 PolarHBondContact OD1-N 2.92Å; D44-N46 PolarHBondContact OD1-OD1 3.43Å
47H91.7Very high91.8Very high71 Ų7179 Ų7933%0.32937%0.371SS..  trans-91.4113.5-178-62.8146.9000113Q40 C41 D44 I49 H57Q40-H47 PolarHBondContact NE2-O 3.07Å; C41-H47 HydrophobicContact CB-CB 3.78Å; C41-H47 PolarHBondContact N-O 3.42Å; D44-H47 PolarHBondContact O-N 2.66Å; D44-H47 IonicContact OD2-CE1 2.92Å; D44-H47 PolarHBondContact OD2-CE1 2.99Å; D44-H47 IonicContact OD2-ND1 3.65Å; D44-H47 IonicContact OD2-NE2 3.58Å; H47-I49 HydrophobicContact CB-CD1 3.75Å; H47-I49 HydrophobicContact CB-CG1 4.48Å; H47-I49 WeakPolarHBondContact O-CD1 3.39Å; H47-H57 AromaticContact CG-CE1 3.86Å; H47-H57 AromaticContact ND1-CE1 3.58Å; H47-H57 AromaticContact ND1-NE2 3.93Å
48K94.1Very high91.8Very high148 Ų14873.4 Ų73.464%0.64335%0.347SS*.EExtended strand (participates in β ladder)trans-107.4119.1168.6-64.5179.7-177.2-177.80109.4L39L39-K48 WeakPolarHBondContact O-CA 3.42Å
49I94Very high91.8Very high20 Ų2072.8 Ų72.810%0.10334%0.343CS..EExtended strand (participates in β ladder)trans-129.3139.7-170.9-46.492.9000109.5L38 L39 C41 H47 R53 F54 H57L38-I49 CarbonylContact C-O 3.51Å; L39-I49 PolarHBondContact N-O 2.8Å; L39-I49 PolarHBondContact O-N 3.09Å; C41-I49 HydrophobicContact CB-CD1 3.84Å; H47-I49 HydrophobicContact CB-CD1 3.75Å; H47-I49 HydrophobicContact CB-CG1 4.48Å; H47-I49 WeakPolarHBondContact O-CD1 3.39Å; I49-R53 HydrophobicContact CG2-CB 3.97Å; I49-F54 HydrophobicContact CB-CD2 4.16Å; I49-F54 HydrophobicContact CD1-CD2 4.22Å; I49-F54 HydrophobicContact CD1-CE2 4.2Å; I49-H57 VanDerWaalsContact CD1-CD2 3.44Å; I49-H57 WeakPolarHBondContact CD1-CD2 3.25Å; I49-H57 WeakPolarHBondContact CD1-NE2 3.15Å; I49-H57 HydrophobicContact CG1-CB 4.2Å; I49-H57 HydrophobicContact CG2-CB 4.04Å
50R94.3Very high91.9Very high137 Ų13778.3 Ų78.352%0.51737%0.366SS..EExtended strand (participates in β ladder)trans-58.9143.9174.1-61.8-176.1-172.6-174.66.8111.7D36 K37 L38 C52 R53 F54D36-R50 WeakPolarHBondContact OD1-CD 3.31Å; D36-R50 IonicContact OD1-CZ 3.49Å; D36-R50 IonicContact OD1-NE 3.66Å; D36-R50 IonicContact OD1-NH1 2.83Å; D36-R50 PolarHBondContact OD1-NH1 2.77Å; K37-R50 CarbonylContact O-C 3.6Å; K37-R50 WeakPolarHBondContact O-CA 3.39Å; L38-R50 HydrophobicContact CD2-CG 3.73Å; R50-C52 VanDerWaalsContact C-N 3.26Å; R50-C52 PolarHBondContact O-N 2.86Å; R50-R53 PolarHBondContact O-N 3.05Å; R50-F54 PolarHBondContact O-N 3Å
51S92.1Very high91.8Very high11 Ų1174.7 Ų74.78%0.07735%0.35CS..G310 helixtrans-50.2-46.3-179.4-1720000112.1K37 R53 F54 R80K37-S51 PolarHBondContact O-N 3.15Å; S51-R53 PolarHBondContact O-N 2.88Å; S51-F54 WeakPolarHBondContact O-CB 3.18Å; S51-F54 PolarHBondContact O-N 3.37Å; S51-R80 PolarHBondContact OG-NH1 3.23Å
52C90.1Very high91.8Very high75 Ų7580.2 Ų80.251%0.50737%0.37SS..G310 helixtrans-60.6-29.5179.4640000114.3P35 R50P35-C52 HydrophobicContact CB-CB 4.37Å; P35-C52 PolarHBondContact O-N 2.85Å; P35-C52 PolarHBondContact O-SG 2.95Å; R50-C52 VanDerWaalsContact C-N 3.26Å; R50-C52 PolarHBondContact O-N 2.86Å
53R92.5Very high91.9Very high168 Ų16884.4 Ų84.463%0.63438%0.381SS*.G310 helixtrans-100.4-6.7-177.5-149.3-171.4-177.698.5-3112.7I49 R50 S51 Y56 H57I49-R53 HydrophobicContact CG2-CB 3.97Å; R50-R53 PolarHBondContact O-N 3.05Å; S51-R53 PolarHBondContact O-N 2.88Å; R53-Y56 PolarHBondContact O-N 3.3Å; R53-H57 PolarHBondContact O-N 3.31Å
54F92.8Very high92Very high9 Ų989.8 Ų89.84%0.03941%0.411CS..Hα-helixtrans-59.2-46.4-174.1-162.6-104.6000113.2L39 I49 R50 S51 Y56 H57 L58 R80L39-F54 HydrophobicContact CB-CD2 3.65Å; L39-F54 HydrophobicContact CB-CE2 3.61Å; L39-F54 HydrophobicContact CB-CG 4.32Å; L39-F54 HydrophobicContact CB-CZ 4.23Å; L39-F54 HydrophobicContact CD1-CB 4.13Å; L39-F54 HydrophobicContact CD1-CD1 4.16Å; L39-F54 HydrophobicContact CD1-CD2 4.08Å; L39-F54 HydrophobicContact CD1-CE2 4.5Å; L39-F54 HydrophobicContact CD1-CG 3.89Å; L39-F54 HydrophobicContact CG-CD2 4.48Å; I49-F54 HydrophobicContact CB-CD2 4.16Å; I49-F54 HydrophobicContact CD1-CD2 4.22Å; I49-F54 HydrophobicContact CD1-CE2 4.2Å; R50-F54 PolarHBondContact O-N 3Å; S51-F54 WeakPolarHBondContact O-CB 3.18Å; S51-F54 PolarHBondContact O-N 3.37Å; F54-Y56 VanDerWaalsContact C-N 3.34Å; F54-Y56 PolarHBondContact O-N 3.37Å; F54-H57 WeakPolarHBondContact O-CB 3.16Å; F54-H57 PolarHBondContact O-N 3.25Å; F54-H57 VanDerWaalsContact O-N 3.09Å; F54-L58 HydrophobicContact CD1-CD1 3.94Å; F54-L58 HydrophobicContact CD1-CD2 4.48Å; F54-L58 HydrophobicContact CD1-CG 4.09Å; F54-L58 HydrophobicContact CE1-CD1 3.77Å; F54-L58 HydrophobicContact CE1-CD2 3.99Å; F54-L58 HydrophobicContact CE1-CG 4.02Å; F54-L58 HydrophobicContact CZ-CD2 4.06Å; F54-L58 WeakPolarHBondContact O-CG 3.4Å; F54-L58 PolarHBondContact O-N 3.47Å; F54-R80 HydrophobicContact CD1-CB 4.19Å; F54-R80 HydrophobicContact CD1-CG 4.07Å; F54-R80 HydrophobicContact CE1-CB 4.45Å
55P91Very high92.2Very high42 Ų4290.6 Ų90.627%0.27341%0.413SS..Hα-helixtrans-59.6-43.9179.1-23.534.8000112.6H57 L58 I59 A79 R80P55-H57 VanDerWaalsContact C-N 3.33Å; P55-H57 PolarHBondContact O-N 2.82Å; P55-L58 PolarHBondContact O-N 2.92Å; P55-I59 PolarHBondContact O-N 2.99Å; P55-A79 HydrophobicContact CB-CB 4.46Å; P55-R80 HydrophobicContact CG-CG 4.34Å
56Y93Very high92.2Very high161 Ų16186.2 Ų86.263%0.63140%0.403SS*.Hα-helixtrans-65.2-37.1176.6-59.6-75.5000112.4R53 F54 K60R53-Y56 PolarHBondContact O-N 3.3Å; F54-Y56 VanDerWaalsContact C-N 3.34Å; F54-Y56 PolarHBondContact O-N 3.37Å; Y56-K60 PolarHBondContact O-N 2.7Å
57H93.7Very high92.1Very high34 Ų3487.9 Ų87.916%0.15740%0.404CS..Hα-helixtrans-62.6-46.2174.6170.981.6000111.2C41 H47 I49 R53 F54 P55 I59 K60 C61C41-H57 WeakPolarHBondContact CB-NE2 3.36Å; C41-H57 PolarHBondContact SG-NE2 3.19Å; H47-H57 AromaticContact CG-CE1 3.86Å; H47-H57 AromaticContact ND1-CE1 3.58Å; H47-H57 AromaticContact ND1-NE2 3.93Å; I49-H57 VanDerWaalsContact CD1-CD2 3.44Å; I49-H57 WeakPolarHBondContact CD1-CD2 3.25Å; I49-H57 WeakPolarHBondContact CD1-NE2 3.15Å; I49-H57 HydrophobicContact CG1-CB 4.2Å; I49-H57 HydrophobicContact CG2-CB 4.04Å; R53-H57 PolarHBondContact O-N 3.31Å; F54-H57 WeakPolarHBondContact O-CB 3.16Å; F54-H57 PolarHBondContact O-N 3.25Å; F54-H57 VanDerWaalsContact O-N 3.09Å; P55-H57 VanDerWaalsContact C-N 3.33Å; P55-H57 PolarHBondContact O-N 2.82Å; H57-I59 VanDerWaalsContact C-N 3.3Å; H57-I59 PolarHBondContact O-N 3.11Å; H57-K60 PolarHBondContact O-N 3.5Å; H57-K60 VanDerWaalsContact O-N 3.12Å; H57-C61 VanDerWaalsContact O-CB 3.27Å; H57-C61 WeakPolarHBondContact O-CB 3.4Å; H57-C61 PolarHBondContact O-N 3.24Å
58L92.4Very high92Very high9 Ų987.4 Ų87.45%0.04740%0.404CS..Hα-helixtrans-57.5-42.3-179.6-66.6-175.3000112F43 F54 P55 K60 C61 R62 A79 L82F43-L58 HydrophobicContact CD2-CD2 4.36Å; F43-L58 HydrophobicContact CE2-CD2 4.17Å; F54-L58 HydrophobicContact CD1-CD1 3.94Å; F54-L58 HydrophobicContact CD1-CD2 4.48Å; F54-L58 HydrophobicContact CD1-CG 4.09Å; F54-L58 HydrophobicContact CE1-CD1 3.77Å; F54-L58 HydrophobicContact CE1-CD2 3.99Å; F54-L58 HydrophobicContact CE1-CG 4.02Å; F54-L58 HydrophobicContact CZ-CD2 4.06Å; F54-L58 WeakPolarHBondContact O-CG 3.4Å; F54-L58 PolarHBondContact O-N 3.47Å; P55-L58 PolarHBondContact O-N 2.92Å; L58-K60 VanDerWaalsContact C-N 3.32Å; L58-K60 PolarHBondContact O-N 2.8Å; L58-C61 PolarHBondContact O-N 3.36Å; L58-R62 WeakPolarHBondContact O-CB 3.47Å; L58-R62 PolarHBondContact O-N 3.45Å; L58-A79 WeakPolarHBondContact CD1-O 3.24Å; L58-L82 HydrophobicContact CD1-CD1 3.88Å; L58-L82 HydrophobicContact CD1-CD2 4.49Å; L58-L82 HydrophobicContact CD1-CG 4.02Å; L58-L82 HydrophobicContact CD2-CD1 3.56Å; L58-L82 HydrophobicContact CG-CD1 4.27Å
59I92Very high91.7Very high91 Ų9181.3 Ų81.347%0.46738%0.381SS..Hα-helixtrans-60.1-42178.3-62.9167.4000111.6P55 H57P55-I59 PolarHBondContact O-N 2.99Å; H57-I59 VanDerWaalsContact C-N 3.3Å; H57-I59 PolarHBondContact O-N 3.11Å
60K92.8Very high91.5Very high146 Ų14683.2 Ų83.264%0.63540%0.396SS*.Hα-helixtrans-75.8-47.7-179.7-67.3-176.6-179-173.90111.5Y56 H57 L58 R62 K63Y56-K60 PolarHBondContact O-N 2.7Å; H57-K60 PolarHBondContact O-N 3.5Å; H57-K60 VanDerWaalsContact O-N 3.12Å; L58-K60 VanDerWaalsContact C-N 3.32Å; L58-K60 PolarHBondContact O-N 2.8Å; K60-R62 VanDerWaalsContact C-N 3.28Å; K60-R62 PolarHBondContact O-N 3.02Å; K60-K63 WeakPolarHBondContact O-CB 3.46Å; K60-K63 PolarHBondContact O-N 3.17Å; K60-K63 VanDerWaalsContact O-N 3.09Å
61C92.7Very high91.3Very high4 Ų482 Ų823%0.02740%0.396CS..Hα-helixtrans-63-36.9-177.6-164.90000111.3F43 H57 L58 K63 N64 H65F43-C61 HydrophobicContact CD2-CB 4.09Å; H57-C61 VanDerWaalsContact O-CB 3.27Å; H57-C61 WeakPolarHBondContact O-CB 3.4Å; H57-C61 PolarHBondContact O-N 3.24Å; L58-C61 PolarHBondContact O-N 3.36Å; C61-K63 PolarHBondContact O-N 2.75Å; C61-N64 PolarHBondContact O-N 2.86Å; C61-H65 PolarHBondContact O-CD2 3.21Å; C61-H65 PolarHBondContact O-N 3.09Å; C61-H65 VanDerWaalsContact O-N 3.16Å
62R91.9Very high91.3Very high118 Ų11883 Ų8345%0.44540%0.4SS..Hα-helixtrans-55.5-35.8173.9-170.6179.771-178.12.2113.4F43 L58 K60 N64 A69F43-R62 HydrophobicContact CE2-CB 4.02Å; F43-R62 HydrophobicContact CZ-CB 4.08Å; F43-R62 HydrophobicContact CZ-CG 4.13Å; L58-R62 WeakPolarHBondContact O-CB 3.47Å; L58-R62 PolarHBondContact O-N 3.45Å; K60-R62 VanDerWaalsContact C-N 3.28Å; K60-R62 PolarHBondContact O-N 3.02Å; R62-N64 VanDerWaalsContact C-N 3.29Å; R62-N64 PolarHBondContact O-N 3.17Å; R62-A69 HydrophobicContact CG-CB 3.36Å
63K91.4Very high91.4Very high154 Ų15484 Ų8467%0.6740%0.396SS*.Hα-helixtrans-68.3-31.3178.2-63-179.3-179.5-173.80112.1K60 C61K60-K63 WeakPolarHBondContact O-CB 3.46Å; K60-K63 PolarHBondContact O-N 3.17Å; K60-K63 VanDerWaalsContact O-N 3.09Å; C61-K63 PolarHBondContact O-N 2.75Å
64N91.4Very high91.4Very high125 Ų12578.7 Ų78.767%0.66838%0.382SS*.Hα-helixtrans-83-22.7-178.3-63.2-3000112.5C61 R62 P66C61-N64 PolarHBondContact O-N 2.86Å; R62-N64 VanDerWaalsContact C-N 3.29Å; R62-N64 PolarHBondContact O-N 3.17Å; N64-P66 VanDerWaalsContact C-CD 3.44Å; N64-P66 VanDerWaalsContact O-CD 3.29Å; N64-P66 WeakPolarHBondContact O-CD 3.38Å
65H91.3Very high91.4Very high58 Ų5878.6 Ų78.627%0.26938%0.383SS..  trans-12068.4-178.8-59.6-85.3000112F43 C61 K67 L68 A69F43-H65 HydrophobicContact CB-CB 4.29Å; C61-H65 PolarHBondContact O-CD2 3.21Å; C61-H65 PolarHBondContact O-N 3.09Å; C61-H65 VanDerWaalsContact O-N 3.16Å; H65-K67 VanDerWaalsContact C-N 3.27Å; H65-K67 PolarHBondContact O-N 2.69Å; H65-L68 PolarHBondContact O-N 3.39Å; H65-A69 VanDerWaalsContact O-CB 3.24Å; H65-A69 WeakPolarHBondContact O-CB 3.39Å; H65-A69 PolarHBondContact O-N 3.28Å
66P90.2Very high91.4Very high91 Ų9181.1 Ų81.159%0.59140%0.399SS*.Hα-helixtrans-63.5-28.8-17324.7-34.8000114N64 S70N64-P66 VanDerWaalsContact C-CD 3.44Å; N64-P66 VanDerWaalsContact O-CD 3.29Å; N64-P66 WeakPolarHBondContact O-CD 3.38Å; P66-S70 PolarHBondContact O-N 3.17Å; P66-S70 VanDerWaalsContact O-N 3.1Å
67K89.6Confident91.2Very high173 Ų17378.1 Ų78.175%0.75239%0.389SS*.Hα-helixtrans-64.1-57.4178.4-63-177.2-179.3-179.20111.1H65 A69 S70H65-K67 VanDerWaalsContact C-N 3.27Å; H65-K67 PolarHBondContact O-N 2.69Å; K67-A69 VanDerWaalsContact C-N 3.32Å; K67-A69 PolarHBondContact O-N 2.89Å; K67-S70 WeakPolarHBondContact O-CB 3.47Å; K67-S70 PolarHBondContact O-N 2.85Å; K67-S70 PolarHBondContact O-OG 2.76Å
68L88.4Confident91Very high62 Ų6277.9 Ų77.933%0.32539%0.389SS..Hα-helixtrans-66.4-34.2177.5-63.2176.3000112.1F43 H65 S70 E71 L72F43-L68 HydrophobicContact CD1-CB 3.79Å; F43-L68 HydrophobicContact CE1-CB 4.28Å; F43-L68 WeakPolarHBondContact O-CD1 3.46Å; H65-L68 PolarHBondContact O-N 3.39Å; L68-S70 PolarHBondContact O-N 2.94Å; L68-E71 PolarHBondContact O-N 3.34Å; L68-L72 PolarHBondContact O-N 2.99Å
69A88.6Confident90.7Very high20 Ų2080 Ų8017%0.16541%0.408CS..Hα-helixtrans-61.3-25.2173.400000113.4R62 H65 K67R62-A69 HydrophobicContact CG-CB 3.36Å; H65-A69 VanDerWaalsContact O-CB 3.24Å; H65-A69 WeakPolarHBondContact O-CB 3.39Å; H65-A69 PolarHBondContact O-N 3.28Å; K67-A69 VanDerWaalsContact C-N 3.32Å; K67-A69 PolarHBondContact O-N 2.89Å
70S88.5Confident90.5Very high60 Ų6079 Ų7942%0.4240%0.398SS..Hα-helixtrans-79.2-2417583.90000112.3P66 K67 L68 K85P66-S70 PolarHBondContact O-N 3.17Å; P66-S70 VanDerWaalsContact O-N 3.1Å; K67-S70 WeakPolarHBondContact O-CB 3.47Å; K67-S70 PolarHBondContact O-N 2.85Å; K67-S70 PolarHBondContact O-OG 2.76Å; L68-S70 PolarHBondContact O-N 2.94Å; S70-K85 VanDerWaalsContact O-CD 3.24Å; S70-K85 WeakPolarHBondContact O-CD 3.48Å; S70-K85 WeakPolarHBondContact O-CE 3.35Å; S70-K85 PolarHBondContact O-NZ 3.42Å
71E91.1Very high90.4Very high111 Ų11174.6 Ų74.652%0.51938%0.38SS..Hα-helixtrans-92.2-36.9-178.1-68.2167-162.800111.6L68 P84 K85L68-E71 PolarHBondContact O-N 3.34Å; E71-P84 WeakPolarHBondContact O-CA 3.29Å; E71-K85 WeakPolarHBondContact O-CG 3.44Å; E71-K85 PolarHBondContact O-N 2.83Å
72L92.1Very high90.4Very high32 Ų3275.9 Ų75.917%0.16839%0.386CS..EExtended strand (participates in β ladder)trans-96.1138.7-178.1-60172.6000111.8P42 F43 L68 P84P42-L72 HydrophobicContact CB-CD1 4.41Å; F43-L72 HydrophobicContact CD1-CD1 4.19Å; F43-L72 HydrophobicContact CE1-CB 4.38Å; F43-L72 HydrophobicContact CE1-CD1 3.89Å; L68-L72 PolarHBondContact O-N 2.99Å; L72-P84 HydrophobicContact CD2-CG 4.13Å
73K91.5Very high90.4Very high97 Ų9771 Ų7142%0.42237%0.37SS..EExtended strand (participates in β ladder)trans-121.9150.5173.9-71-66.7-173.4174.30110.5L82 V83 K85 L88K73-L82 WeakPolarHBondContact O-CA 2.81Å; K73-V83 PolarHBondContact N-O 2.94Å; K73-V83 PolarHBondContact O-N 2.91Å; K73-K85 VanDerWaalsContact CE-CE 3.49Å; K73-K85 HydrophobicContact CG-CG 3.59Å; K73-L88 HydrophobicContact CB-CD1 4.48Å; K73-L88 HydrophobicContact CB-CD2 3.94Å; K73-L88 HydrophobicContact CG-CD2 4.43Å
74T92.7Very high90.5Very high56 Ų5665.4 Ų65.434%0.34435%0.349SS..EExtended strand (participates in β ladder)trans-83.4137.1177.1-520000109.5A79 H81T74-A79 HydrophobicContact CG2-CB 4.45Å; T74-H81 WeakPolarHBondContact CA-O 3.24Å
75C93.1Very high90.5Very high6 Ų664.8 Ų64.84%0.04134%0.341CS..  trans-62.9142173.7178.60000111.2F77 N78 H81 H91C75-F77 VanDerWaalsContact C-N 3.3Å; C75-F77 PolarHBondContact O-N 3.2Å; C75-F77 PolarHBondContact SG-N 3.16Å; C75-N78 WeakPolarHBondContact CB-O 3.45Å; C75-H81 HydrophobicContact CB-CB 3.55Å; C75-H81 PolarHBondContact N-O 2.66Å; C75-H91 WeakPolarHBondContact CB-NE2 3.47Å; C75-H91 VanDerWaalsContact SG-CD2 3.56Å; C75-H91 PolarHBondContact SG-NE2 3.34Å
76P90.4Very high90.6Very high96 Ų9668.9 Ų68.962%0.62336%0.36SS*.SBendtrans-63.5-30.9173.9-22.133.4000114.4T92P76-T92 HydrophobicContact CG-CG2 4Å
77F90.1Very high90.7Very high97 Ų9769 Ų6943%0.42535%0.352SS..SBendtrans-90.6-33.3-173.4-52.3-63.5000112.8C75 T92 C95 D97 R98C75-F77 VanDerWaalsContact C-N 3.3Å; C75-F77 PolarHBondContact O-N 3.2Å; C75-F77 PolarHBondContact SG-N 3.16Å; F77-T92 HydrophobicContact CE2-CG2 4.29Å; F77-C95 HydrophobicContact CD2-CB 4.12Å; F77-D97 HydrophobicContact CB-CB 4.34Å; F77-R98 HydrophobicContact CD2-CB 4.11Å; F77-R98 HydrophobicContact CD2-CG 4.46Å; F77-R98 HydrophobicContact CE1-CG 4.4Å; F77-R98 HydrophobicContact CE2-CB 4.18Å; F77-R98 HydrophobicContact CE2-CG 4.08Å; F77-R98 HydrophobicContact CG-CB 4.44Å; F77-R98 HydrophobicContact CZ-CG 4.05Å
78N89.1Confident90.9Very high29 Ų2962.8 Ų62.816%0.15533%0.327CS..  trans-137.4118.9178.2-171.6-16.9000112C75 R80 H81 D97C75-N78 WeakPolarHBondContact CB-O 3.45Å; N78-R80 PolarHBondContact O-N 2.96Å; N78-R80 VanDerWaalsContact O-N 3.09Å; N78-R80 VanDerWaalsContact OD1-CB 3.28Å; N78-R80 WeakPolarHBondContact OD1-CB 3.45Å; N78-R80 WeakPolarHBondContact OD1-CG 3.27Å; N78-R80 PolarHBondContact OD1-N 3.22Å; N78-H81 PolarHBondContact O-N 3.1Å; N78-H81 VanDerWaalsContact O-N 3.09Å; N78-D97 HydrophobicContact CB-CB 4.09Å; N78-D97 WeakPolarHBondContact CB-OD2 3.13Å; N78-D97 PolarHBondContact ND2-OD2 3.37Å
79A86.8Confident91.1Very high53 Ų5362.8 Ų62.844%0.43834%0.336SS..THydrogen-bonded Turntrans-65-13.2179.500000114.2P55 L58 T74P55-A79 HydrophobicContact CB-CB 4.46Å; L58-A79 WeakPolarHBondContact CD1-O 3.24Å; T74-A79 HydrophobicContact CG2-CB 4.45Å
80R87.5Confident91.4Very high70 Ų7069.3 Ų69.326%0.26436%0.358SS..THydrogen-bonded Turntrans-81-23.9175.8-62.8169.657.8-170.4-8112.4C33 L39 S51 F54 P55 N78 L82C33-R80 PolarHBondContact SG-NH1 3.44Å; L39-R80 VanDerWaalsContact CD1-NH2 3.32Å; S51-R80 PolarHBondContact OG-NH1 3.23Å; F54-R80 HydrophobicContact CD1-CB 4.19Å; F54-R80 HydrophobicContact CD1-CG 4.07Å; F54-R80 HydrophobicContact CE1-CB 4.45Å; P55-R80 HydrophobicContact CG-CG 4.34Å; N78-R80 PolarHBondContact O-N 2.96Å; N78-R80 VanDerWaalsContact O-N 3.09Å; N78-R80 VanDerWaalsContact OD1-CB 3.28Å; N78-R80 WeakPolarHBondContact OD1-CB 3.45Å; N78-R80 WeakPolarHBondContact OD1-CG 3.27Å; N78-R80 PolarHBondContact OD1-N 3.22Å; R80-L82 PolarHBondContact O-N 3.03Å
81H90.5Very high91.7Very high54 Ų5468 Ų6825%0.2534%0.344CS..  trans-79.8119.2-179.6-65.3167.8000110.4T74 C75 N78 H91 D97T74-H81 WeakPolarHBondContact CA-O 3.24Å; C75-H81 HydrophobicContact CB-CB 3.55Å; C75-H81 PolarHBondContact N-O 2.66Å; N78-H81 PolarHBondContact O-N 3.1Å; N78-H81 VanDerWaalsContact O-N 3.09Å; H81-H91 AromaticContact ND1-CE1 3.5Å; H81-H91 PolarHBondContact ND1-CE1 3.46Å; H81-H91 AromaticContact ND1-NE2 3.54Å; H81-D97 IonicContact CE1-OD2 3.39Å; H81-D97 PolarHBondContact CE1-OD2 3.32Å; H81-D97 IonicContact ND1-OD2 3.69Å; H81-D97 IonicContact NE2-OD2 3.83Å
82L91.3Very high91.7Very high31 Ų3164.4 Ų64.416%0.16233%0.331CS..EExtended strand (participates in β ladder)trans-113.1116.4171.8-73.6174.9000108.5P42 F43 L58 K73 R80P42-L82 HydrophobicContact CB-CD1 3.98Å; P42-L82 HydrophobicContact CG-CB 4.32Å; P42-L82 HydrophobicContact CG-CD1 3.7Å; F43-L82 HydrophobicContact CD2-CD1 4.36Å; F43-L82 HydrophobicContact CE2-CD1 3.7Å; F43-L82 HydrophobicContact CZ-CD1 3.83Å; F43-L82 HydrophobicContact CZ-CD2 4.3Å; L58-L82 HydrophobicContact CD1-CD1 3.88Å; L58-L82 HydrophobicContact CD1-CD2 4.49Å; L58-L82 HydrophobicContact CD1-CG 4.02Å; L58-L82 HydrophobicContact CD2-CD1 3.56Å; L58-L82 HydrophobicContact CG-CD1 4.27Å; K73-L82 WeakPolarHBondContact O-CA 2.81Å; R80-L82 PolarHBondContact O-N 3.03Å
83V92Very high91.6Very high15 Ų1569.5 Ų69.59%0.09135%0.354CS..EExtended strand (participates in β ladder)trans-125.4140.1-171.8-174.60000109K73 E87 L88 H91K73-V83 PolarHBondContact N-O 2.94Å; K73-V83 PolarHBondContact O-N 2.91Å; V83-E87 HydrophobicContact CG1-CB 3.76Å; V83-L88 HydrophobicContact CB-CD1 4.35Å; V83-H91 HydrophobicContact CG1-CB 3.95Å; V83-H91 HydrophobicContact CG2-CB 4.19Å
84P93.9Very high91.5Very high37 Ų3768.3 Ų68.324%0.2435%0.354CS..EExtended strand (participates in β ladder)trans-54.9144.9171.4-25.735.7000112.2E71 L72 H86 E87 L88E71-P84 WeakPolarHBondContact O-CA 3.29Å; L72-P84 HydrophobicContact CD2-CG 4.13Å; P84-H86 WeakPolarHBondContact CB-CE1 3.48Å; P84-H86 PolarHBondContact O-N 2.77Å; P84-H86 VanDerWaalsContact O-N 3.15Å; P84-E87 HydrophobicContact CB-CB 4.46Å; P84-E87 PolarHBondContact O-N 3.09Å; P84-L88 PolarHBondContact O-N 3Å; P84-L88 VanDerWaalsContact O-N 3.09Å
85K91.6Very high91.5Very high113 Ų11366 Ų6649%0.49134%0.341SS..THydrogen-bonded Turntrans-50.8-41-178.5-82.1173.3166170.50114.2S70 E71 K73S70-K85 VanDerWaalsContact O-CD 3.24Å; S70-K85 WeakPolarHBondContact O-CD 3.48Å; S70-K85 WeakPolarHBondContact O-CE 3.35Å; S70-K85 PolarHBondContact O-NZ 3.42Å; E71-K85 WeakPolarHBondContact O-CG 3.44Å; E71-K85 PolarHBondContact O-N 2.83Å; K73-K85 VanDerWaalsContact CE-CE 3.49Å; K73-K85 HydrophobicContact CG-CG 3.59Å
86H92.8Very high91.2Very high144 Ų14474.5 Ų74.567%0.66738%0.38SS*.THydrogen-bonded Turntrans-74.4-27.4-17764.7-78.2000112.8P84P84-H86 WeakPolarHBondContact CB-CE1 3.48Å; P84-H86 PolarHBondContact O-N 2.77Å; P84-H86 VanDerWaalsContact O-N 3.15Å
87E94.1Very high91Very high93 Ų9373.1 Ų73.144%0.43537%0.367SS..THydrogen-bonded Turntrans-90.2-10.1179.1-84.5159.1-148.500113.2V83 P84 A89 Y90 H91V83-E87 HydrophobicContact CG1-CB 3.76Å; P84-E87 HydrophobicContact CB-CB 4.46Å; P84-E87 PolarHBondContact O-N 3.09Å; E87-A89 VanDerWaalsContact C-N 3.29Å; E87-A89 PolarHBondContact O-N 3.34Å; E87-Y90 PolarHBondContact O-N 2.87Å; E87-H91 WeakPolarHBondContact O-CB 3.47Å; E87-H91 PolarHBondContact O-N 3.04Å
88L93.6Very high90.8Very high42 Ų4274.8 Ų74.822%0.2237%0.37CS..Hα-helixtrans-58.2-39.7-174.9-175.165.7000112.7K73 V83 P84 H91 T92K73-L88 HydrophobicContact CB-CD1 4.48Å; K73-L88 HydrophobicContact CB-CD2 3.94Å; K73-L88 HydrophobicContact CG-CD2 4.43Å; V83-L88 HydrophobicContact CB-CD1 4.35Å; P84-L88 PolarHBondContact O-N 3Å; P84-L88 VanDerWaalsContact O-N 3.09Å; L88-H91 PolarHBondContact O-N 3.18Å; L88-T92 WeakPolarHBondContact O-CG2 3.35Å; L88-T92 PolarHBondContact O-N 2.96Å; L88-T92 PolarHBondContact O-OG1 2.94Å
89A92.1Very high90.3Very high63 Ų6380.6 Ų80.652%0.52140%0.4SS..Hα-helixtrans-63.7-48.2179.900000111.8E87 H91 T92 E93E87-A89 VanDerWaalsContact C-N 3.29Å; E87-A89 PolarHBondContact O-N 3.34Å; A89-H91 VanDerWaalsContact C-N 3.33Å; A89-H91 PolarHBondContact O-N 3.09Å; A89-T92 PolarHBondContact O-N 3.3Å; A89-T92 PolarHBondContact O-OG1 3.45Å; A89-E93 PolarHBondContact O-N 3.09Å
90Y94.3Very high89.3Confident157 Ų15781.2 Ų81.262%0.61640%0.401SS*.Hα-helixtrans-62.4-41.9175.5177.2-101000111.7E87 T92 E93 T94E87-Y90 PolarHBondContact O-N 2.87Å; Y90-T92 VanDerWaalsContact C-N 3.33Å; Y90-T92 PolarHBondContact O-N 2.96Å; Y90-E93 PolarHBondContact O-N 3.2Å; Y90-T94 HydrophobicContact CD2-CG2 4.46Å; Y90-T94 HydrophobicContact CE1-CG2 4.2Å; Y90-T94 HydrophobicContact CE2-CG2 3.93Å; Y90-T94 PolarHBondContact O-N 3.24Å; Y90-T94 VanDerWaalsContact O-N 3.17Å; Y90-T94 PolarHBondContact O-OG1 3.31Å
91H94.6Very high88.1Confident31 Ų3184 Ų8414%0.14443%0.426CS..Hα-helixtrans-60.8-41.2175.4175.972.9000111.9C75 H81 V83 E87 L88 A89 E93 T94 C95C75-H91 WeakPolarHBondContact CB-NE2 3.47Å; C75-H91 VanDerWaalsContact SG-CD2 3.56Å; C75-H91 PolarHBondContact SG-NE2 3.34Å; H81-H91 AromaticContact ND1-CE1 3.5Å; H81-H91 PolarHBondContact ND1-CE1 3.46Å; H81-H91 AromaticContact ND1-NE2 3.54Å; V83-H91 HydrophobicContact CG1-CB 3.95Å; V83-H91 HydrophobicContact CG2-CB 4.19Å; E87-H91 WeakPolarHBondContact O-CB 3.47Å; E87-H91 PolarHBondContact O-N 3.04Å; L88-H91 PolarHBondContact O-N 3.18Å; A89-H91 VanDerWaalsContact C-N 3.33Å; A89-H91 PolarHBondContact O-N 3.09Å; H91-E93 PolarHBondContact O-N 3.44Å; H91-T94 CarbonylContact O-C 3.43Å; H91-T94 PolarHBondContact O-N 3.33Å; H91-C95 WeakPolarHBondContact O-CA 3.34Å; H91-C95 WeakPolarHBondContact O-CB 3.4Å; H91-C95 PolarHBondContact O-N 3.34Å
92T91.2Very high86.1Confident37 Ų3787.1 Ų87.123%0.22744%0.444CS..Hα-helixtrans-63.4-26.8179.148.20000113.3P76 F77 L88 A89 Y90 R98P76-T92 HydrophobicContact CG-CG2 4Å; F77-T92 HydrophobicContact CE2-CG2 4.29Å; L88-T92 WeakPolarHBondContact O-CG2 3.35Å; L88-T92 PolarHBondContact O-N 2.96Å; L88-T92 PolarHBondContact O-OG1 2.94Å; A89-T92 PolarHBondContact O-N 3.3Å; A89-T92 PolarHBondContact O-OG1 3.45Å; Y90-T92 VanDerWaalsContact C-N 3.33Å; Y90-T92 PolarHBondContact O-N 2.96Å; T92-R98 WeakPolarHBondContact O-CD 3.28Å
93E90.8Very high84.3Confident139 Ų13991.5 Ų91.565%0.6547%0.472SS*.Hα-helixtrans-80.3-31.5176.5-65.7173.3-176.200112.3A89 Y90 H91A89-E93 PolarHBondContact O-N 3.09Å; Y90-E93 PolarHBondContact O-N 3.2Å; H91-E93 PolarHBondContact O-N 3.44Å
94T90.3Very high82.3Confident72 Ų7299.2 Ų99.244%0.44251%0.507SS..Hα-helixtrans-109.12.6-171.654.90000114.6Y90 H91 E96Y90-T94 HydrophobicContact CD2-CG2 4.46Å; Y90-T94 HydrophobicContact CE1-CG2 4.2Å; Y90-T94 HydrophobicContact CE2-CG2 3.93Å; Y90-T94 PolarHBondContact O-N 3.24Å; Y90-T94 VanDerWaalsContact O-N 3.17Å; Y90-T94 PolarHBondContact O-OG1 3.31Å; H91-T94 CarbonylContact O-C 3.43Å; H91-T94 PolarHBondContact O-N 3.33Å; T94-E96 PolarHBondContact O-N 3.5Å
95C90.9Very high80.4Confident8 Ų8104.5 Ų104.55%0.05453%0.534CS..  trans-63.7128.5-175.5-1780000111.2F77 H91 D97 R98F77-C95 HydrophobicContact CD2-CB 4.12Å; H91-C95 WeakPolarHBondContact O-CA 3.34Å; H91-C95 WeakPolarHBondContact O-CB 3.4Å; H91-C95 PolarHBondContact O-N 3.34Å; C95-D97 VanDerWaalsContact C-N 3.26Å; C95-D97 PolarHBondContact O-N 3.43Å; C95-R98 HydrophobicContact CB-CB 4.21Å; C95-R98 WeakPolarHBondContact O-CB 3.42Å; C95-R98 PolarHBondContact O-N 2.8Å
96E87.7Confident78.3Confident184 Ų184104 Ų10486%0.8655%0.55SS**THydrogen-bonded Turntrans-59.9-35.7178-62170.7-169.100112.3T94 R98T94-E96 PolarHBondContact O-N 3.5Å; E96-R98 PolarHBondContact O-N 3.12Å
97D86Confident76.3Confident66 Ų66100.3 Ų100.335%0.35355%0.552SS.*THydrogen-bonded Turntrans-824.2177.3-56.7-62.6000113.7F77 N78 H81 C95 I99F77-D97 HydrophobicContact CB-CB 4.34Å; N78-D97 HydrophobicContact CB-CB 4.09Å; N78-D97 WeakPolarHBondContact CB-OD2 3.13Å; N78-D97 PolarHBondContact ND2-OD2 3.37Å; H81-D97 IonicContact CE1-OD2 3.39Å; H81-D97 PolarHBondContact CE1-OD2 3.32Å; H81-D97 IonicContact ND1-OD2 3.69Å; H81-D97 IonicContact NE2-OD2 3.83Å; C95-D97 VanDerWaalsContact C-N 3.26Å; C95-D97 PolarHBondContact O-N 3.43Å; D97-I99 PolarHBondContact O-N 2.92Å
98R86.5Confident74.3Confident133 Ų133100.8 Ų100.850%0.50257%0.565SS.*  trans-73.797.6174.1-179.3170.1175.8-108.7-1.9108.2F77 T92 C95 E96 S100F77-R98 HydrophobicContact CD2-CB 4.11Å; F77-R98 HydrophobicContact CD2-CG 4.46Å; F77-R98 HydrophobicContact CE1-CG 4.4Å; F77-R98 HydrophobicContact CE2-CB 4.18Å; F77-R98 HydrophobicContact CE2-CG 4.08Å; F77-R98 HydrophobicContact CG-CB 4.44Å; F77-R98 HydrophobicContact CZ-CG 4.05Å; T92-R98 WeakPolarHBondContact O-CD 3.28Å; C95-R98 HydrophobicContact CB-CB 4.21Å; C95-R98 WeakPolarHBondContact O-CB 3.42Å; C95-R98 PolarHBondContact O-N 2.8Å; E96-R98 PolarHBondContact O-N 3.12Å; R98-S100 PolarHBondContact O-N 3.36Å; R98-S100 VanDerWaalsContact O-N 3.09Å
99I78.8Confident72.3Confident150 Ų150109.5 Ų109.577%0.76960%0.595SS**  trans-68.3107.7171.2-56171000107.1D97 V101D97-I99 PolarHBondContact O-N 2.92Å; I99-V101 PolarHBondContact O-N 3.09Å
100S65.6Low70.7Confident67 Ų67115 Ų11547%0.46962%0.616SS.*  trans-64.9116.4167.153.50000107.2R98 D102R98-S100 PolarHBondContact O-N 3.36Å; R98-S100 VanDerWaalsContact O-N 3.09Å; S100-D102 WeakPolarHBondContact CB-OD2 3.43Å; S100-D102 PolarHBondContact O-N 3.48Å; S100-D102 PolarHBondContact OG-OD2 2.94Å
101V60.8Low68.6Low128 Ų128110.3 Ų110.378%0.77662%0.615SS**  trans-76.773.2161.5-171.50000105I99 T103I99-V101 PolarHBondContact O-N 3.09Å; V101-T103 PolarHBondContact O-N 2.98Å; V101-T103 PolarHBondContact O-OG1 3.09Å
102D50.1Low66.7Low120 Ų120117.4 Ų117.464%0.64265%0.648SS**  trans-63107.5172-84.3-47.4000106.9S100 E104S100-D102 WeakPolarHBondContact CB-OD2 3.43Å; S100-D102 PolarHBondContact O-N 3.48Å; S100-D102 PolarHBondContact OG-OD2 2.94Å; D102-E104 PolarHBondContact O-N 3.45Å
103T52.5Low65.1Low123 Ų123122 Ų12276%0.75568%0.675SS**  trans-77.968.8169.5-44.20000105.3V101 D105V101-T103 PolarHBondContact O-N 2.98Å; V101-T103 PolarHBondContact O-OG1 3.09Å; T103-D105 PolarHBondContact O-N 3.2Å; T103-D105 VanDerWaalsContact O-N 3.09Å
104E51.3Low63.4Low176 Ų176116.6 Ų116.682%0.82266%0.657SS**  trans-72.8104.9170.556.6-175.4163.800108.5D102 A106D102-E104 PolarHBondContact O-N 3.45Å; E104-A106 PolarHBondContact O-N 3.46Å; E104-A106 VanDerWaalsContact O-N 3.12Å
105D53.6Low61.9Low149 Ų149124.2 Ų124.280%0.79768%0.678SS**  trans-41.3106.7164.2-96-51.2000111.9T103T103-D105 PolarHBondContact O-N 3.2Å; T103-D105 VanDerWaalsContact O-N 3.09Å
106A46.4Very low60.7Low102 Ų102131 Ų13184%0.84371%0.713SS**  trans-97.192.4143.200000106.4E104 S108E104-A106 PolarHBondContact O-N 3.46Å; E104-A106 VanDerWaalsContact O-N 3.12Å; A106-S108 PolarHBondContact O-N 3.12Å
107G52.2Low60.1Low67 Ų67127.3 Ų127.369%0.69170%0.703SS**  trans-45.3128.9-158.300000116.9
108S51.1Low59.5Low102 Ų102129.7 Ų129.771%0.71372%0.722SS**  trans-161.6104.2148.4-151.80000110.5A106A106-S108 PolarHBondContact O-N 3.12Å
109R50.8Low59Low225 Ų225129.4 Ų129.485%0.84974%0.735SS**  trans38.5112.9142.3-57.7170.565-159.3-0.7116.7G111R109-G111 PolarHBondContact O-N 3.06Å
110N60Low59Low180 Ų180128.1 Ų128.196%0.96373%0.73SS**  trans2575.4146.2-64.6-7.6000114.9
111G50Low59.6Low57 Ų57130.9 Ų130.959%0.58874%0.744SS**  trans-143.5110.4172.100000107.4R109 V113R109-G111 PolarHBondContact O-N 3.06Å; G111-V113 PolarHBondContact O-N 3.44Å; G111-V113 VanDerWaalsContact O-N 3.11Å
112H54Low60.6Low181 Ų181134.1 Ų134.184%0.83874%0.742SS**  trans-26.2116157.2178.7-108.5000109.9G114H112-G114 WeakPolarHBondContact ND1-CA 3.38Å; H112-G114 PolarHBondContact ND1-N 3.29Å; H112-G114 PolarHBondContact O-N 3.11Å
113V57.3Low61.8Low133 Ų133133.3 Ų133.381%0.80674%0.741SS**  trans-71.466.5169.7-168.40000106.6G111 W115G111-V113 PolarHBondContact O-N 3.44Å; G111-V113 VanDerWaalsContact O-N 3.11Å; V113-W115 PolarHBondContact O-N 2.7Å
114G55.6Low63Low26 Ų26131.1 Ų131.127%0.26873%0.725SS.*  trans-67.3118.317100000105.5H112 D116H112-G114 WeakPolarHBondContact ND1-CA 3.38Å; H112-G114 PolarHBondContact ND1-N 3.29Å; H112-G114 PolarHBondContact O-N 3.11Å; G114-D116 PolarHBondContact O-N 2.83Å
115W58.2Low64.2Low232 Ų232128.4 Ų128.488%0.87972%0.723SS**  trans-60.579.7152.7-80.445.7000106.9V113 V117V113-W115 PolarHBondContact O-N 2.7Å; W115-V117 PolarHBondContact O-N 2.74Å
116D66.9Low65Low149 Ų149124.1 Ų124.180%0.79770%0.7SS**  trans-72.781.7169-83.6-14.4000105.9G114 P118G114-D116 PolarHBondContact O-N 2.83Å; D116-P118 WeakPolarHBondContact O-CD 3.2Å
117V73.9Confident66Low107 Ų107125.6 Ų125.665%0.64869%0.691SS**  trans-60.4114.3165.1-179.90000105.2W115 V119W115-V117 PolarHBondContact O-N 2.74Å; V117-V119 PolarHBondContact O-N 2.9Å
118P74.9Confident67Low116 Ų116128.2 Ų128.275%0.75369%0.694SS**  trans-57117.4178.4-20.531.6000107.6D116 N120D116-P118 WeakPolarHBondContact O-CD 3.2Å; P118-N120 PolarHBondContact O-N 2.97Å
119V74.5Confident67.9Low128 Ų128129.8 Ų129.878%0.77669%0.69SS**  trans-65.6104.3174.41770000106.1V117 T121V117-V119 PolarHBondContact O-N 2.9Å; V119-T121 PolarHBondContact O-N 2.95Å
120N78.9Confident69Low122 Ų122121.7 Ų121.765%0.65266%0.663SS**  trans-62.5109.2172.8-179.225.9000108P118 W122P118-N120 PolarHBondContact O-N 2.97Å; N120-W122 PolarHBondContact O-N 3.22Å; N120-W122 WeakPolarHBondContact OD1-CB 3.1Å; N120-W122 PolarHBondContact OD1-N 2.81Å; N120-W122 VanDerWaalsContact OD1-N 3.11Å
121T78.3Confident69.7Low125 Ų125123.5 Ų123.577%0.76766%0.657SS**  trans-81.92.3175.453.80000112.4V119 V123V119-T121 PolarHBondContact O-N 2.95Å; T121-V123 PolarHBondContact O-N 3.42Å
122W82.1Confident70.8Confident197 Ų197127.8 Ų127.875%0.74667%0.666SS**  trans-64.3109.8175.1-174.4-7000110N120N120-W122 PolarHBondContact O-N 3.22Å; N120-W122 WeakPolarHBondContact OD1-CB 3.1Å; N120-W122 PolarHBondContact OD1-N 2.81Å; N120-W122 VanDerWaalsContact OD1-N 3.11Å
123V76.1Confident71.5Confident102 Ų102125.6 Ų125.662%0.61865%0.654SS**  trans-98.5131.1166.3-178.80000108.6T121 P125 M127T121-V123 PolarHBondContact O-N 3.42Å; V123-P125 WeakPolarHBondContact O-CD 3.36Å; V123-M127 HydrophobicContact CG1-CE 3.19Å
124N76.1Confident71.8Confident78 Ų78126 Ų12642%0.41765%0.647SS.*  trans-56.6121.6177.7-178.538.7000110.9N126 M127N124-N126 VanDerWaalsContact C-N 3.3Å; N124-N126 PolarHBondContact ND2-O 3.09Å; N124-N126 VanDerWaalsContact ND2-O 3.09Å; N124-N126 PolarHBondContact ND2-OD1 3.03Å; N124-N126 PolarHBondContact O-N 3.44Å; N124-N126 PolarHBondContact OD1-OD1 3.14Å; N124-M127 HydrophobicContact CB-CE 4.22Å; N124-M127 WeakPolarHBondContact O-CE 3.42Å
125P76.4Confident72.1Confident119 Ų119128.7 Ų128.777%0.77367%0.667SS**SBendtrans-70.3-21.8-176.625.6-33.3000113.7V123 M127V123-P125 WeakPolarHBondContact O-CD 3.36Å; P125-M127 PolarHBondContact O-N 3.11Å
126N72.3Confident72.2Confident58 Ų58124 Ų12431%0.3166%0.659SS.*  trans-97.378.9174.687.6-33.2000111.8N124 T128 E129N124-N126 VanDerWaalsContact C-N 3.3Å; N124-N126 PolarHBondContact ND2-O 3.09Å; N124-N126 VanDerWaalsContact ND2-O 3.09Å; N124-N126 PolarHBondContact ND2-OD1 3.03Å; N124-N126 PolarHBondContact O-N 3.44Å; N124-N126 PolarHBondContact OD1-OD1 3.14Å; N126-T128 PolarHBondContact O-N 3.38Å; N126-E129 PolarHBondContact ND2-OE1 3.49Å; N126-E129 PolarHBondContact ND2-OE2 2.96Å
127M67.3Low71.9Confident133 Ų133123 Ų12366%0.65565%0.654SS**THydrogen-bonded Turntrans-75.115.8170.9-65.8-64.9-178.600113.4V123 N124 P125V123-M127 HydrophobicContact CG1-CE 3.19Å; N124-M127 HydrophobicContact CB-CE 4.22Å; N124-M127 WeakPolarHBondContact O-CE 3.42Å; P125-M127 PolarHBondContact O-N 3.11Å
128T71.8Confident71.4Confident122 Ų122123.8 Ų123.875%0.74866%0.658SS**THydrogen-bonded Turntrans-97.2-13.6-173.1-25.70000112.7N126 D130N126-T128 PolarHBondContact O-N 3.38Å; T128-D130 PolarHBondContact O-N 3.44Å
129E70.3Confident70.6Confident136 Ų136126.3 Ų126.364%0.63666%0.66SS**  trans-93.487.5174-72.4175.8173.800109.2N126N126-E129 PolarHBondContact ND2-OE1 3.49Å; N126-E129 PolarHBondContact ND2-OE2 2.96Å
130D73.4Confident70.2Confident54 Ų54125.4 Ų125.429%0.28966%0.655SS.*  trans-93.3108.7171.545.84000110.9T128 D132 K133T128-D130 PolarHBondContact O-N 3.44Å; D130-D132 PolarHBondContact O-N 3.03Å; D130-K133 VanDerWaalsContact CG-CG 3.45Å; D130-K133 PolarHBondContact O-N 3.21Å; D130-K133 WeakPolarHBondContact OD1-CB 3.39Å; D130-K133 WeakPolarHBondContact OD2-CD 3.19Å; D130-K133 WeakPolarHBondContact OD2-CE 3.34Å; D130-K133 WeakPolarHBondContact OD2-CG 3.32Å; D130-K133 IonicContact OD2-NZ 2.64Å; D130-K133 PolarHBondContact OD2-NZ 3.45Å
131W75.8Confident69.8Low219 Ų219125 Ų12583%0.8366%0.659SS**THydrogen-bonded Turntrans-54.3-19.3171.4-67.585.4000113
132D73.8Confident69.2Low146 Ų146126.6 Ų126.678%0.78166%0.656SS**THydrogen-bonded Turntrans-76.4-26.3174.6-82.2-8.3000114.1D130D130-D132 PolarHBondContact O-N 3.03Å
133K67.4Low68.9Low136 Ų136121.2 Ų121.259%0.59164%0.644SS**THydrogen-bonded Turntrans-92-17.3179.6-71.3-172.6-167.7130.20114.2D130 A135 D136D130-K133 VanDerWaalsContact CG-CG 3.45Å; D130-K133 PolarHBondContact O-N 3.21Å; D130-K133 WeakPolarHBondContact OD1-CB 3.39Å; D130-K133 WeakPolarHBondContact OD2-CD 3.19Å; D130-K133 WeakPolarHBondContact OD2-CE 3.34Å; D130-K133 WeakPolarHBondContact OD2-CG 3.32Å; D130-K133 IonicContact OD2-NZ 2.64Å; D130-K133 PolarHBondContact OD2-NZ 3.45Å; K133-A135 PolarHBondContact O-N 3.37Å; K133-D136 PolarHBondContact O-N 3Å; K133-D136 VanDerWaalsContact O-N 3.14Å
134E63.7Low68.4Low141 Ų141127.1 Ų127.166%0.65966%0.656SS**THydrogen-bonded Turntrans-67.6-19.8175.2-69.9-163.5165.900112.8D136E134-D136 VanDerWaalsContact C-N 3.27Å; E134-D136 PolarHBondContact O-N 2.71Å
135A62.2Low67.9Low82 Ų82127.1 Ų127.168%0.67867%0.674SS**THydrogen-bonded Turntrans-68.3-26.4172.700000112.9K133K133-A135 PolarHBondContact O-N 3.37Å
136D59.3Low67.2Low134 Ų134126.2 Ų126.272%0.71767%0.666SS**THydrogen-bonded Turntrans-96.8-10.5-174.6-68.4-27.2000113.3K133 E134 V138K133-D136 PolarHBondContact O-N 3Å; K133-D136 VanDerWaalsContact O-N 3.14Å; E134-D136 VanDerWaalsContact C-N 3.27Å; E134-D136 PolarHBondContact O-N 2.71Å; D136-V138 PolarHBondContact O-N 3.09Å
137N61.2Low66.5Low128 Ų128126.7 Ų126.768%0.68467%0.674SS**SBendtrans-78.276177-16812.2000111.1Q139N137-Q139 PolarHBondContact O-N 2.97Å
138V63.1Low66.2Low123 Ų123126.1 Ų126.175%0.74568%0.683SS**  trans38.350.7154.7-160.10000113.6D136 T140D136-V138 PolarHBondContact O-N 3.09Å; V138-T140 PolarHBondContact O-N 3.09Å; V138-T140 VanDerWaalsContact O-N 3.09Å
139Q59.4Low65.4Low170 Ų170128.5 Ų128.579%0.79468%0.683SS**  trans-70.5111.4166.1-171.5129.4-73.900106.5N137N137-Q139 PolarHBondContact O-N 2.97Å
140T64.7Low64.4Low109 Ų109126.7 Ų126.767%0.66968%0.677SS**  trans-49.6130.7169.351.80000107.8V138 F142V138-T140 PolarHBondContact O-N 3.09Å; V138-T140 VanDerWaalsContact O-N 3.09Å; T140-F142 PolarHBondContact O-N 3.05Å
141P71Confident63.4Low113 Ų113131.9 Ų131.973%0.73471%0.705SS**  trans-53122.2-175.220.3-31.5000108.3V143P141-V143 PolarHBondContact O-N 3.06Å
142F65.9Low62.1Low158 Ų158129.9 Ų129.969%0.69371%0.705SS**  trans-66.8113.5175108.6-94.4000105.9T140 W144T140-F142 PolarHBondContact O-N 3.05Å; F142-W144 HydrophobicContact CE2-CB 3.98Å; F142-W144 AromaticContact CE2-CE3 3.81Å; F142-W144 HydrophobicContact CE2-CE3 3.81Å; F142-W144 HydrophobicContact CZ-CE3 4.28Å
143V75.4Confident60.8Low84 Ų84128.6 Ų128.651%0.50970%0.697SS.*  trans-99.9112.3174.8-179.70000106.8P141 G145 V146P141-V143 PolarHBondContact O-N 3.06Å; V143-G145 PolarHBondContact O-N 3.48Å; V143-V146 HydrophobicContact CB-CB 4.17Å; V143-V146 HydrophobicContact CB-CG2 4.3Å; V143-V146 HydrophobicContact CG1-CB 4.17Å; V143-V146 HydrophobicContact CG1-CG2 3.74Å; V143-V146 PolarHBondContact O-N 3.47Å; V143-V146 VanDerWaalsContact O-N 3.09Å
144W66.6Low59.7Low226 Ų226128 Ų12886%0.85670%0.699SS**THydrogen-bonded Turntrans-57.1114.6176.5-170.4-82.4000109.6F142F142-W144 HydrophobicContact CE2-CB 3.98Å; F142-W144 AromaticContact CE2-CE3 3.81Å; F142-W144 HydrophobicContact CE2-CE3 3.81Å; F142-W144 HydrophobicContact CZ-CE3 4.28Å
145G64.2Low58.9Low78 Ų78125.9 Ų125.980%0.80471%0.706SS**THydrogen-bonded Turntrans99.9-1.5-179.500000116.6V143V143-G145 PolarHBondContact O-N 3.48Å
146V61.7Low58.4Low101 Ų101125.4 Ų125.461%0.61270%0.702SS**  trans-119.9109.3175.7-174.90000109.9V143V143-V146 HydrophobicContact CB-CB 4.17Å; V143-V146 HydrophobicContact CB-CG2 4.3Å; V143-V146 HydrophobicContact CG1-CB 4.17Å; V143-V146 HydrophobicContact CG1-CG2 3.74Å; V143-V146 PolarHBondContact O-N 3.47Å; V143-V146 VanDerWaalsContact O-N 3.09Å
147S59.3Low58Low68 Ų68129.7 Ų129.748%0.47671%0.708SS.*  trans-103110175780000111.2K149 L150S147-K149 PolarHBondContact O-N 3.03Å; S147-L150 PolarHBondContact O-N 3.44Å; S147-L150 WeakPolarHBondContact OG-CB 3.33Å; S147-L150 VanDerWaalsContact OG-CD1 3.32Å; S147-L150 WeakPolarHBondContact OG-CD1 3.08Å; S147-L150 WeakPolarHBondContact OG-CG 2.89Å
148S59.4Low57.4Low120 Ų120128.4 Ų128.484%0.83971%0.707SS**THydrogen-bonded Turntrans-70.6-8.3176.4-44.10000113.9
149K55.5Low56.7Low172 Ų172127 Ų12775%0.74870%0.703SS**THydrogen-bonded Turntrans-107.920.6178.2-79.4-176.3177.1176.20114.4S147 N151S147-K149 PolarHBondContact O-N 3.03Å; K149-N151 VanDerWaalsContact C-N 3.26Å; K149-N151 PolarHBondContact O-N 3.44Å
150L50.3Low56.8Low98 Ų98125.2 Ų125.251%0.51370%0.699SS.*THydrogen-bonded Turntrans-69.8-18.8178-121.7173.1000113.8S147 Q152 L154S147-L150 PolarHBondContact O-N 3.44Å; S147-L150 WeakPolarHBondContact OG-CB 3.33Å; S147-L150 VanDerWaalsContact OG-CD1 3.32Å; S147-L150 WeakPolarHBondContact OG-CD1 3.08Å; S147-L150 WeakPolarHBondContact OG-CG 2.89Å; L150-Q152 PolarHBondContact O-N 3.46Å; L150-L154 HydrophobicContact CD2-CD1 3.95Å
151N50.7Low56.6Low164 Ų164127.3 Ų127.388%0.87771%0.706SS**THydrogen-bonded Turntrans-79.7-10.9-177.2-73.9-24.3000115.2K149K149-N151 VanDerWaalsContact C-N 3.26Å; K149-N151 PolarHBondContact O-N 3.44Å
152Q49.4Very low56.1Low177 Ų177128.5 Ų128.583%0.82771%0.706SS**THydrogen-bonded Turntrans-107.7-18.8179.2-152.5173.362.600113.8L150L150-Q152 PolarHBondContact O-N 3.46Å
153I46.9Very low55.8Low119 Ų119122.9 Ų122.961%0.6169%0.692SS**THydrogen-bonded Turntrans-95.58.5-177.9-53.6174.5000112.1A155I153-A155 VanDerWaalsContact C-N 3.29Å
154L44.5Very low55Low122 Ų122125.1 Ų125.164%0.63971%0.708SS**THydrogen-bonded Turntrans-80.3-8.6171-110125.5000113.7L150L150-L154 HydrophobicContact CD2-CD1 3.95Å
155A46.8Very low54.5Low98 Ų98121.4 Ų121.481%0.8171%0.705SS**SBendtrans-91.8-11.218000000114.8I153I153-A155 VanDerWaalsContact C-N 3.29Å
156A51.2Low54.1Low72 Ų72126 Ų12660%0.59570%0.703SS**  trans-143.686.2178.300000110.3P158A156-P158 WeakPolarHBondContact O-CD 2.92Å
157R50.1Low54.3Low223 Ų223132.5 Ų132.584%0.84272%0.717SS**  trans-71.1123.5169-73.3-178.6158.6-168.4-5.6109.2S159R157-S159 PolarHBondContact O-N 3.14Å
158P48.2Very low54.2Low101 Ų101133.6 Ų133.666%0.65673%0.73SS**  trans-71.6124.2155.9-0.618.1000107.1A156 N160A156-P158 WeakPolarHBondContact O-CD 2.92Å; P158-N160 PolarHBondContact O-N 2.93Å
159S49.8Very low54.2Low95 Ų95133.3 Ų133.366%0.66473%0.725SS**  trans-69.396.1175.461.90000109.5R157 N161R157-S159 PolarHBondContact O-N 3.14Å; S159-N161 PolarHBondContact O-N 3.3Å
160N61.6Low54.3Low131 Ų131130.9 Ų130.970%0.70173%0.73SS**  trans-81109168.6-61.6-24.4000107.6P158 L162P158-N160 PolarHBondContact O-N 2.93Å; N160-L162 PolarHBondContact O-N 2.64Å
161N59.8Low54.9Low153 Ų153131.3 Ų131.382%0.81874%0.737SS**  trans-76.938.9-177.3-68.2-65000113.7S159S159-N161 PolarHBondContact O-N 3.3Å
162L60.5Low55.5Low139 Ų139129.7 Ų129.773%0.72873%0.727SS**  trans-89.2123.5175.9-63.7178.1000109.5N160N160-L162 PolarHBondContact O-N 2.64Å
163G59.9Low56.2Low40 Ų40126.4 Ų126.441%0.41272%0.721SS.*  trans-62.4163.1-177.900000113.3N165G163-N165 PolarHBondContact O-N 3.33Å
164P59.3Low56.8Low130 Ų130130 Ų13084%0.84473%0.727SS**THydrogen-bonded Turntrans-61.3-5.9-168.5-20.531.4000116.2
165N55.5Low57.6Low148 Ų148129.9 Ų129.979%0.79173%0.734SS**THydrogen-bonded Turntrans-99.20.1-166.2-57.7-28.1000113.9G163G163-N165 PolarHBondContact O-N 3.33Å
166F56.5Low58.2Low175 Ų175132.2 Ų132.277%0.76873%0.732SS**  trans-100.894.9174.8-70.4-80.5000110.4
167R65.7Low58.4Low238 Ų238138.6 Ų138.690%0.89874%0.743SS**PPolyproline II helixtrans-98.1133.7161.9-92.6-171.6-174.7-122.62.2109.4
168A57.3Low58.6Low90 Ų90136.9 Ų136.974%0.74474%0.744SS**PPolyproline II helixtrans-58.7136165.200000109.3S170A168-S170 PolarHBondContact O-N 3.46Å
169P57.7Low58.3Low115 Ų115143 Ų14375%0.74777%0.77SS**PPolyproline II helixtrans-56134.3174.7-22.232000110.6T171P169-T171 PolarHBondContact O-N 3.22Å
170S58Low58.7Low121 Ų121145.5 Ų145.585%0.84678%0.776SS**SBendtrans-78.53.6-176.270.70000114.1A168A168-S170 PolarHBondContact O-N 3.46Å
171T63.5Low58.5Low106 Ų106146.2 Ų146.265%0.6578%0.78SS**SBendtrans-131.9119.7-176.854.90000109P169P169-T171 PolarHBondContact O-N 3.22Å
172L63.2Low58.4Low130 Ų130145.8 Ų145.868%0.68178%0.778SS**  trans-68.8143.5171.7-65.4169.3000109W174L172-W174 PolarHBondContact O-N 3.09Å; L172-W174 VanDerWaalsContact O-N 3.09Å
173P64.4Low58.3Low108 Ų108146.2 Ų146.270%0.70178%0.781SS**SBendtrans-74.96.7-174.329-34.1000114.6
174W59.7Low58.2Low196 Ų196152.9 Ų152.974%0.74280%0.804SS**SBendtrans-113.2137.4-177.5-28.498000109.7L172 N176L172-W174 PolarHBondContact O-N 3.09Å; L172-W174 VanDerWaalsContact O-N 3.09Å; W174-N176 PolarHBondContact O-N 2.87Å
175P60.7Low58.2Low119 Ų119154.4 Ų154.477%0.77380%0.801SS**  trans-67.4130173.926.4-30.5000109.9Y177P175-Y177 PolarHBondContact O-N 3.03Å; P175-Y177 VanDerWaalsContact O-N 3.14Å
176N58.8Low58.3Low146 Ų146154.9 Ų154.978%0.78180%0.801SS**  trans-62.7113.1170.8-69-34.3000108.1W174 E178W174-N176 PolarHBondContact O-N 2.87Å; N176-E178 PolarHBondContact O-N 2.86Å
177Y56.5Low58.5Low207 Ų207153.3 Ų153.381%0.81280%0.804SS**  trans-79.8110.3160.552.5-90.5000106.5P175P175-Y177 PolarHBondContact O-N 3.03Å; P175-Y177 VanDerWaalsContact O-N 3.14Å
178E54.7Low57.9Low186 Ų186146.3 Ų146.387%0.86980%0.796SS**  trans-71130.6168.2-64.8-170.116400108.1N176N176-E178 PolarHBondContact O-N 2.86Å
179L40.2Very low57.9Low231 Ų231151.4 Ų151.4100%1.20980%0.801SS**  trans-83.10174.5-111.8160.4000109.9

Retrieved 179 of 179 residues in 69 ms (Link to these results)