A0A087WYV3_HUMAN Loading...

Zinc finger CCHC-type containing 17

AlphaFold DB , UniProt , Accession A0A087WYV3, Species HUMAN (Homo sapiens, Human), Gene ZCCHC17, 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
1M41.2Very low51.8Low247 Ų247135.8 Ų135.8100%1.21782%0.819SS**  086.90-75.3-72.7175.300107.9
2G46.6Very low51.9Low66 Ų66131.3 Ų131.368%0.6880%0.798SS**PPolyproline II helixtrans-92145.8178.700000110.8L4G2-L4 PolarHBondContact O-N 2.99Å
3P58.2Low52.5Low135 Ų135134.2 Ų134.288%0.87779%0.793SS**PPolyproline II helixtrans-71.3123.2-17927.8-31.9000110.8S5P3-S5 PolarHBondContact O-N 2.83Å
4L50.7Low53.2Low167 Ų167134.9 Ų134.987%0.87479%0.787SS**PPolyproline II helixtrans-60.1120.7172.9-78134000110.2G2 K6G2-L4 PolarHBondContact O-N 2.99Å; L4-K6 PolarHBondContact O-N 3.03Å
5S52.7Low53.8Low118 Ų118136.5 Ų136.583%0.82578%0.781SS**  trans-64.3113170.844.80000109.6P3 S7P3-S5 PolarHBondContact O-N 2.83Å; S5-S7 PolarHBondContact O-N 2.77Å; S5-S7 VanDerWaalsContact O-N 3.09Å
6K54.5Low54.3Low204 Ų204136.9 Ų136.989%0.88778%0.78SS**  trans-71.1101.8173.4-73.6173.9179.2172.90108.5L4 Q8L4-K6 PolarHBondContact O-N 3.03Å; K6-Q8 PolarHBondContact O-N 3.17Å
7S53.4Low55.3Low115 Ų115138.2 Ų138.280%0.80478%0.784SS**  trans-63.3120.8165.346.40000108.8S5 A9S5-S7 PolarHBondContact O-N 2.77Å; S5-S7 VanDerWaalsContact O-N 3.09Å; S7-A9 PolarHBondContact O-N 3.42Å
8Q51.2Low56.1Low192 Ų192142.2 Ų142.290%0.89778%0.784SS**  trans-7496.1177.8-166.4169.747.200108.2K6 V10K6-Q8 PolarHBondContact O-N 3.17Å; Q8-V10 PolarHBondContact O-N 3Å
9A53.8Low57.4Low91 Ų91141.3 Ų141.375%0.75278%0.777SS**  trans-66.7117173.200000109.5S7 G11S7-A9 PolarHBondContact O-N 3.42Å; A9-G11 PolarHBondContact O-N 3.17Å
10V54.9Low58.2Low105 Ų105142.4 Ų142.464%0.63677%0.774SS**  trans-63.8119.9167.21780000107.2Q8 S12Q8-V10 PolarHBondContact O-N 3Å; V10-S12 PolarHBondContact O-N 3.3Å
11G52.3Low59.2Low54 Ų54140.1 Ų140.156%0.55776%0.764SS**  trans-65.895.5-170.500000113.4A9 K13A9-G11 PolarHBondContact O-N 3.17Å; G11-K13 PolarHBondContact O-N 3.5Å
12S53.7Low60.4Low81 Ų81131.8 Ų131.857%0.56673%0.73SS**  trans-84.393.1167.5-62.10000109.7V10V10-S12 PolarHBondContact O-N 3.3Å
13K59.8Low61.6Low170 Ų170136.3 Ų136.374%0.73974%0.738SS**EExtended strand (participates in β ladder)trans-87.9111.4168.8-99.7-176.6176.1175.80109.5G11 K15G11-K13 PolarHBondContact O-N 3.5Å; K13-K15 PolarHBondContact O-N 3.45Å
14M61.9Low62.2Low144 Ų144133.8 Ų133.871%0.70972%0.723SS**EExtended strand (participates in β ladder)trans-73121.5170.3-65.3171.971.300109.2
15K61.6Low63.5Low158 Ų158133.8 Ų133.869%0.68772%0.721SS**EExtended strand (participates in β ladder)trans-133.8120.7162-72.7-172.9177.5-172.60106.8K13K13-K15 PolarHBondContact O-N 3.45Å
16N62.7Low64.6Low144 Ų144137.3 Ų137.377%0.7772%0.721SS**THydrogen-bonded Turntrans62.152.2173.7-47.5-33.1000114.6R18N16-R18 PolarHBondContact O-N 2.94Å
17D70.3Confident65.8Low158 Ų158130.6 Ų130.685%0.84570%0.697SS**THydrogen-bonded Turntrans53.97.4175.3-57.5-40.8000116.8
18R70.1Confident67.4Low210 Ų210127.3 Ų127.379%0.79267%0.672SS**EExtended strand (participates in β ladder)trans-106.3115.8175.4-66.2-179.9-169-170.23108.1N16 K20N16-R18 PolarHBondContact O-N 2.94Å; R18-K20 PolarHBondContact O-N 2.85Å
19I81.5Confident69.1Low126 Ų126121 Ų12165%0.64665%0.645SS**EExtended strand (participates in β ladder)trans-67.2106.2175.1-56.9174.5000107.5V21I19-V21 HydrophobicContact CG2-CG2 3.71Å; I19-V21 PolarHBondContact O-N 3.06Å
20K73.9Confident70.6Confident163 Ų163126.4 Ų126.471%0.70965%0.654SS**EExtended strand (participates in β ladder)trans-85.292.3172-170.9173-178.11730108.6R18 S22R18-K20 PolarHBondContact O-N 2.85Å; K20-S22 PolarHBondContact O-N 3.34Å
21V77.6Confident72.2Confident94 Ų94124.9 Ų124.957%0.5766%0.66SS**  trans-79.8111.6169.1-172.80000107.8I19I19-V21 HydrophobicContact CG2-CG2 3.71Å; I19-V21 PolarHBondContact O-N 3.06Å
22S67.8Low73.8Confident72 Ų72126.3 Ų126.350%0.50366%0.658SS.*  trans-91.5115.1171.756.30000110K20K20-S22 PolarHBondContact O-N 3.34Å
23L71.6Confident75.3Confident162 Ų162125.2 Ų125.285%0.84866%0.659SS**  trans-80.4128.6172.3-72.2131.2000109.9
24S71Confident76.5Confident82 Ų82123.3 Ų123.357%0.57365%0.651SS**  trans-94125.7174.964.20000111K26S24-K26 PolarHBondContact O-N 2.67Å
25M76.4Confident77.6Confident167 Ų167118.7 Ų118.782%0.82363%0.629SS**G310 helixtrans-70.49.5175.5-78156.755.700114.7V27M25-V27 VanDerWaalsContact C-N 3.29Å; M25-V27 PolarHBondContact O-N 3.32Å
26K76.2Confident78.7Confident192 Ų192115.5 Ų115.584%0.83562%0.619SS**G310 helixtrans-67.5-30-174.1-70.5-177.9178.6-1790113.3S24S24-K26 PolarHBondContact O-N 2.67Å
27V81.1Confident79.8Confident63 Ų63111.4 Ų111.438%0.38260%0.597SS.*G310 helixtrans-110.940.6-175.4-158.70000109M25 L36 D37M25-V27 VanDerWaalsContact C-N 3.29Å; M25-V27 PolarHBondContact O-N 3.32Å; V27-L36 VanDerWaalsContact CG1-C 3.45Å; V27-L36 HydrophobicContact CG1-CB 3.85Å; V27-L36 WeakPolarHBondContact O-CA 3.09Å; V27-L36 WeakPolarHBondContact O-CB 3.32Å; V27-L36 PolarHBondContact O-N 3.27Å; V27-D37 HydrophobicContact CG1-CB 4.41Å
28V86.4Confident80.5Confident45 Ų45108.1 Ų108.127%0.27358%0.584SS.*BIsolated β-bridgetrans-122139.8-179.6179.80000108.6Q30 G33 K34V28-Q30 PolarHBondContact O-N 3.21Å; V28-G33 WeakPolarHBondContact CG1-O 3.21Å; V28-K34 CarbonylContact C-O 3.59Å; V28-K34 WeakPolarHBondContact CA-O 3.41Å
29N86.5Confident81.3Confident60 Ų60103.4 Ų103.432%0.32158%0.575SS.*  trans-69.5121.1175.3-175.9-54.2000110.3G31 T32 G33 K34 L36N29-G31 VanDerWaalsContact C-N 3.28Å; N29-G31 PolarHBondContact O-N 3.25Å; N29-G31 PolarHBondContact OD1-N 3.02Å; N29-T32 WeakPolarHBondContact CB-OG1 3.32Å; N29-T32 PolarHBondContact O-N 3.19Å; N29-T32 PolarHBondContact OD1-N 3.08Å; N29-T32 VanDerWaalsContact OD1-N 3.16Å; N29-T32 PolarHBondContact OD1-OG1 3.31Å; N29-G33 WeakPolarHBondContact O-CA 3.45Å; N29-G33 PolarHBondContact O-N 3.07Å; N29-K34 HydrophobicContact CB-CB 4.47Å; N29-K34 PolarHBondContact N-O 3.09Å; N29-L36 HydrophobicContact CB-CD1 4.2Å; N29-L36 HydrophobicContact CB-CD2 4.26Å; N29-L36 HydrophobicContact CB-CG 4.23Å
30Q84.6Confident81.3Confident204 Ų204101 Ų10195%0.95356%0.563SS**THydrogen-bonded Turntrans-66-24.7-173.3-62.3-177.415.300114.4V28V28-Q30 PolarHBondContact O-N 3.21Å
31G89.9Confident81.8Confident74 Ų7495.8 Ų95.876%0.76355%0.545SS*.THydrogen-bonded Turntrans-93.8-30.1-179.600000114N29N29-G31 VanDerWaalsContact C-N 3.28Å; N29-G31 PolarHBondContact O-N 3.25Å; N29-G31 PolarHBondContact OD1-N 3.02Å
32T84.4Confident82.2Confident84 Ų8496.1 Ų96.152%0.51554%0.543SS..THydrogen-bonded Turntrans-113.4-9.7-173.357.30000113.8N29 K34N29-T32 WeakPolarHBondContact CB-OG1 3.32Å; N29-T32 PolarHBondContact O-N 3.19Å; N29-T32 PolarHBondContact OD1-N 3.08Å; N29-T32 VanDerWaalsContact OD1-N 3.16Å; N29-T32 PolarHBondContact OD1-OG1 3.31Å; T32-K34 PolarHBondContact O-N 3.4Å; T32-K34 VanDerWaalsContact O-N 3.13Å
33G85.7Confident83Confident57 Ų5797.5 Ų97.559%0.58854%0.544SS*.  trans65.88.4-176.400000114.1V28 N29V28-G33 WeakPolarHBondContact CG1-O 3.21Å; N29-G33 WeakPolarHBondContact O-CA 3.45Å; N29-G33 PolarHBondContact O-N 3.07Å
34K84.9Confident83.7Confident130 Ų13093.7 Ų93.757%0.56552%0.521SS*.  trans-75138.4-179.5-67.4-177.7-179.9-177.20110.5V28 N29 T32V28-K34 CarbonylContact C-O 3.59Å; V28-K34 WeakPolarHBondContact CA-O 3.41Å; N29-K34 HydrophobicContact CB-CB 4.47Å; N29-K34 PolarHBondContact N-O 3.09Å; T32-K34 PolarHBondContact O-N 3.4Å; T32-K34 VanDerWaalsContact O-N 3.13Å
35D85.6Confident84.3Confident47 Ų4795.2 Ų95.225%0.25152%0.52SS..BIsolated β-bridgetrans-64.6137.9172.8-161.310.8000109.5D37 N40 V41D35-D37 PolarHBondContact OD1-N 3.11Å; D35-N40 WeakPolarHBondContact OD2-CB 3.32Å; D35-N40 PolarHBondContact OD2-ND2 2.88Å; D35-V41 WeakPolarHBondContact O-CG2 3.36Å
36L84.7Confident84.9Confident92 Ų9290.8 Ų90.848%0.48250%0.497SS..  trans-109.51.9175.3-60.4175.8000110.6V27 N29 P38V27-L36 VanDerWaalsContact CG1-C 3.45Å; V27-L36 HydrophobicContact CG1-CB 3.85Å; V27-L36 WeakPolarHBondContact O-CA 3.09Å; V27-L36 WeakPolarHBondContact O-CB 3.32Å; V27-L36 PolarHBondContact O-N 3.27Å; N29-L36 HydrophobicContact CB-CD1 4.2Å; N29-L36 HydrophobicContact CB-CD2 4.26Å; N29-L36 HydrophobicContact CB-CG 4.23Å; L36-P38 VanDerWaalsContact O-CD 3.26Å; L36-P38 WeakPolarHBondContact O-CD 3.34Å
37D85.3Confident85.3Confident58 Ų5885.9 Ų85.931%0.3148%0.477SS..  trans-61.3117.7172.5-173-32.5000108.9V27 D35 N39 N40 V41V27-D37 HydrophobicContact CG1-CB 4.41Å; D35-D37 PolarHBondContact OD1-N 3.11Å; D37-N39 PolarHBondContact O-N 2.9Å; D37-N39 VanDerWaalsContact O-N 3.11Å; D37-N39 PolarHBondContact OD1-N 3.09Å; D37-N40 HydrophobicContact CB-CB 4.3Å; D37-N40 PolarHBondContact O-N 3.34Å; D37-N40 VanDerWaalsContact O-N 3.14Å; D37-V41 WeakPolarHBondContact O-CB 3.46Å; D37-V41 VanDerWaalsContact O-CG2 3.29Å; D37-V41 WeakPolarHBondContact O-CG2 2.99Å; D37-V41 PolarHBondContact O-N 3.14Å
38P84.9Confident85.5Confident88 Ų8890.1 Ų90.157%0.57149%0.486SS*.Hα-helixtrans-52.7-35.1-178.9-26.735.1000113.4L36 I42L36-P38 VanDerWaalsContact O-CD 3.26Å; L36-P38 WeakPolarHBondContact O-CD 3.34Å; P38-I42 WeakPolarHBondContact O-CB 3.03Å; P38-I42 WeakPolarHBondContact O-CD1 3.45Å; P38-I42 WeakPolarHBondContact O-CG1 3.35Å; P38-I42 PolarHBondContact O-N 3.05Å
39N86.6Confident85.3Confident112 Ų11296.4 Ų96.460%0.59951%0.505SS*.Hα-helixtrans-69.2-46.5-180-80.2-11.6000111.8D37 I42 I43D37-N39 PolarHBondContact O-N 2.9Å; D37-N39 VanDerWaalsContact O-N 3.11Å; D37-N39 PolarHBondContact OD1-N 3.09Å; N39-I42 PolarHBondContact O-N 3.02Å; N39-I43 WeakPolarHBondContact O-CD1 3.21Å; N39-I43 VanDerWaalsContact O-CG1 3.3Å; N39-I43 WeakPolarHBondContact O-CG1 3.31Å; N39-I43 PolarHBondContact O-N 2.72Å; N39-I43 VanDerWaalsContact O-N 3.15Å
40N82.8Confident85.2Confident74 Ų74102.5 Ų102.540%0.39652%0.523SS..Hα-helixtrans-73.5-34.8-178.5-72.4-10.6000112.1D35 D37 I42 I43 E44D35-N40 WeakPolarHBondContact OD2-CB 3.32Å; D35-N40 PolarHBondContact OD2-ND2 2.88Å; D37-N40 HydrophobicContact CB-CB 4.3Å; D37-N40 PolarHBondContact O-N 3.34Å; D37-N40 VanDerWaalsContact O-N 3.14Å; N40-I42 VanDerWaalsContact C-N 3.31Å; N40-I42 PolarHBondContact O-N 2.9Å; N40-I43 PolarHBondContact O-N 2.94Å; N40-E44 WeakPolarHBondContact O-CB 3.28Å; N40-E44 PolarHBondContact O-N 2.76Å
41V84.1Confident85.2Confident55 Ų55100.4 Ų100.433%0.33351%0.507SS..Hα-helixtrans-61.7-41.3174.4172.20000110.9D35 D37 Q45D35-V41 WeakPolarHBondContact O-CG2 3.36Å; D37-V41 WeakPolarHBondContact O-CB 3.46Å; D37-V41 VanDerWaalsContact O-CG2 3.29Å; D37-V41 WeakPolarHBondContact O-CG2 2.99Å; D37-V41 PolarHBondContact O-N 3.14Å; V41-Q45 WeakPolarHBondContact O-CB 3.32Å; V41-Q45 PolarHBondContact O-N 3.02Å
42I84.7Confident84.5Confident100 Ų100101.9 Ų101.951%0.51351%0.506SS..Hα-helixtrans-64-45.1176-69.2164000110.6P38 N39 N40 Q45 E46P38-I42 WeakPolarHBondContact O-CB 3.03Å; P38-I42 WeakPolarHBondContact O-CD1 3.45Å; P38-I42 WeakPolarHBondContact O-CG1 3.35Å; P38-I42 PolarHBondContact O-N 3.05Å; N39-I42 PolarHBondContact O-N 3.02Å; N40-I42 VanDerWaalsContact C-N 3.31Å; N40-I42 PolarHBondContact O-N 2.9Å; I42-Q45 PolarHBondContact O-N 2.95Å; I42-E46 VanDerWaalsContact O-CB 3.27Å; I42-E46 WeakPolarHBondContact O-CB 3.34Å; I42-E46 PolarHBondContact O-N 3.17Å
43I85.8Confident83.9Confident102 Ų102105.7 Ų105.752%0.52352%0.515SS..Hα-helixtrans-64.2-45.9178.7-66.2164.6000110.9N39 N40 Q45 E46 E47N39-I43 WeakPolarHBondContact O-CD1 3.21Å; N39-I43 VanDerWaalsContact O-CG1 3.3Å; N39-I43 WeakPolarHBondContact O-CG1 3.31Å; N39-I43 PolarHBondContact O-N 2.72Å; N39-I43 VanDerWaalsContact O-N 3.15Å; N40-I43 PolarHBondContact O-N 2.94Å; I43-Q45 PolarHBondContact O-N 3.14Å; I43-E46 PolarHBondContact O-N 2.95Å; I43-E47 VanDerWaalsContact O-CB 3.29Å; I43-E47 WeakPolarHBondContact O-CB 3.07Å; I43-E47 PolarHBondContact O-N 3.03Å
44E85.3Confident83.4Confident81 Ų81108.8 Ų108.838%0.37951%0.514SS..Hα-helixtrans-64.8-40.1179.2-164.6-157.2148.700111.4N40 E47 R48N40-E44 WeakPolarHBondContact O-CB 3.28Å; N40-E44 PolarHBondContact O-N 2.76Å; E44-E47 PolarHBondContact O-N 2.77Å; E44-R48 VanDerWaalsContact O-CB 3.28Å; E44-R48 WeakPolarHBondContact O-CB 3.39Å; E44-R48 PolarHBondContact O-N 3.04Å; E44-R48 IonicContact OE1-CZ 3.8Å; E44-R48 IonicContact OE1-NH1 2.81Å; E44-R48 PolarHBondContact OE1-NH1 2.75Å; E44-R48 IonicContact OE1-NH2 3.86Å
45Q85.3Confident82.9Confident115 Ų115107.4 Ų107.454%0.53751%0.513SS..Hα-helixtrans-69.3-39.5177-166.8-178.32600111.5V41 I42 I43 R49V41-Q45 WeakPolarHBondContact O-CB 3.32Å; V41-Q45 PolarHBondContact O-N 3.02Å; I42-Q45 PolarHBondContact O-N 2.95Å; I43-Q45 PolarHBondContact O-N 3.14Å; Q45-R49 WeakPolarHBondContact O-CB 3.48Å; Q45-R49 PolarHBondContact O-N 3.13Å
46E87Confident82.1Confident73 Ų73111.5 Ų111.534%0.34153%0.526SS..Hα-helixtrans-65.4-43.1173.8-173.6178.6-177.400111.2I42 I43 R49 R50I42-E46 VanDerWaalsContact O-CB 3.27Å; I42-E46 WeakPolarHBondContact O-CB 3.34Å; I42-E46 PolarHBondContact O-N 3.17Å; I43-E46 PolarHBondContact O-N 2.95Å; E46-R49 CarbonylContact O-C 3.54Å; E46-R49 WeakPolarHBondContact O-CB 3.26Å; E46-R49 PolarHBondContact O-N 3.48Å; E46-R49 VanDerWaalsContact O-N 3.13Å; E46-R50 HydrophobicContact CG-CG 4.45Å; E46-R50 WeakPolarHBondContact O-CB 3.36Å; E46-R50 WeakPolarHBondContact O-CG 3.41Å; E46-R50 PolarHBondContact O-N 3.25Å; E46-R50 IonicContact OE1-CZ 3.33Å; E46-R50 IonicContact OE1-NE 3.17Å; E46-R50 PolarHBondContact OE1-NE 3.21Å; E46-R50 VanDerWaalsContact OE1-NE 3.17Å; E46-R50 IonicContact OE1-NH2 2.71Å; E46-R50 PolarHBondContact OE1-NH2 3.33Å
47E86.1Confident81.3Confident89 Ų89113.2 Ų113.242%0.41654%0.54SS..Hα-helixtrans-62.2-45175.8-167.3-171.7173.200111I43 E44 R49 R50 R51I43-E47 VanDerWaalsContact O-CB 3.29Å; I43-E47 WeakPolarHBondContact O-CB 3.07Å; I43-E47 PolarHBondContact O-N 3.03Å; E44-E47 PolarHBondContact O-N 2.77Å; E47-R49 VanDerWaalsContact C-N 3.25Å; E47-R49 PolarHBondContact O-N 3.43Å; E47-R50 CarbonylContact O-C 3.57Å; E47-R50 PolarHBondContact O-N 3.32Å; E47-R50 VanDerWaalsContact O-N 3.1Å; E47-R51 VanDerWaalsContact CD-NH2 3.27Å; E47-R51 WeakPolarHBondContact O-CG 3.09Å; E47-R51 PolarHBondContact O-N 3.48Å; E47-R51 IonicContact OE1-CZ 3.47Å; E47-R51 IonicContact OE1-NE 3.48Å; E47-R51 PolarHBondContact OE1-NE 2.84Å; E47-R51 IonicContact OE1-NH2 2.69Å; E47-R51 PolarHBondContact OE1-NH2 3.22Å; E47-R51 IonicContact OE2-NH2 3.63Å
48R84.7Confident80.3Confident152 Ų152113.4 Ų113.457%0.57456%0.556SS**Hα-helixtrans-61-34.8173.5-179.3174.1-90.5105.2-4.7111.9E44E44-R48 VanDerWaalsContact O-CB 3.28Å; E44-R48 WeakPolarHBondContact O-CB 3.39Å; E44-R48 PolarHBondContact O-N 3.04Å; E44-R48 IonicContact OE1-CZ 3.8Å; E44-R48 IonicContact OE1-NH1 2.81Å; E44-R48 PolarHBondContact OE1-NH1 2.75Å; E44-R48 IonicContact OE1-NH2 3.86Å
49R83.1Confident79.6Confident178 Ų178115.3 Ų115.367%0.67256%0.558SS**Hα-helixtrans-71.7-34174.3-165.3-170.6-57.5133.22.7112.2Q45 E46 E47Q45-R49 WeakPolarHBondContact O-CB 3.48Å; Q45-R49 PolarHBondContact O-N 3.13Å; E46-R49 CarbonylContact O-C 3.54Å; E46-R49 WeakPolarHBondContact O-CB 3.26Å; E46-R49 PolarHBondContact O-N 3.48Å; E46-R49 VanDerWaalsContact O-N 3.13Å; E47-R49 VanDerWaalsContact C-N 3.25Å; E47-R49 PolarHBondContact O-N 3.43Å
50R84.2Confident78.7Confident187 Ų187119.1 Ų119.171%0.70657%0.569SS**Hα-helixtrans-75.5-25.9176.5-73.9-179.2-176.9-1564.8112.8E46 E47 S52E46-R50 HydrophobicContact CG-CG 4.45Å; E46-R50 WeakPolarHBondContact O-CB 3.36Å; E46-R50 WeakPolarHBondContact O-CG 3.41Å; E46-R50 PolarHBondContact O-N 3.25Å; E46-R50 IonicContact OE1-CZ 3.33Å; E46-R50 IonicContact OE1-NE 3.17Å; E46-R50 PolarHBondContact OE1-NE 3.21Å; E46-R50 VanDerWaalsContact OE1-NE 3.17Å; E46-R50 IonicContact OE1-NH2 2.71Å; E46-R50 PolarHBondContact OE1-NH2 3.33Å; E47-R50 CarbonylContact O-C 3.57Å; E47-R50 PolarHBondContact O-N 3.32Å; E47-R50 VanDerWaalsContact O-N 3.1Å; R50-S52 VanDerWaalsContact C-N 3.34Å; R50-S52 PolarHBondContact O-N 2.69Å
51R83.8Confident78.2Confident160 Ų160122.5 Ų122.560%0.60459%0.585SS**SBendtrans-69.193169.1-70.5171.9-170.9-173.24.1108.2E47E47-R51 VanDerWaalsContact CD-NH2 3.27Å; E47-R51 WeakPolarHBondContact O-CG 3.09Å; E47-R51 PolarHBondContact O-N 3.48Å; E47-R51 IonicContact OE1-CZ 3.47Å; E47-R51 IonicContact OE1-NE 3.48Å; E47-R51 PolarHBondContact OE1-NE 2.84Å; E47-R51 IonicContact OE1-NH2 2.69Å; E47-R51 PolarHBondContact OE1-NH2 3.22Å; E47-R51 IonicContact OE2-NH2 3.63Å
52S74.6Confident77.3Confident106 Ų106125 Ų12574%0.74160%0.601SS**  trans-58.7137.5167.552.90000109.2R50 Q54R50-S52 VanDerWaalsContact C-N 3.34Å; R50-S52 PolarHBondContact O-N 2.69Å; S52-Q54 PolarHBondContact O-N 3.09Å
53F73.1Confident76.3Confident164 Ų164127 Ų12772%0.71961%0.612SS**  trans-55.4123.9173.3-178.4-113.3000109.2D55F53-D55 WeakPolarHBondContact CD1-OD1 3.29Å; F53-D55 WeakPolarHBondContact CE1-OD1 3.49Å; F53-D55 PolarHBondContact O-N 3.39Å; F53-D55 VanDerWaalsContact O-N 3.09Å
54Q74.4Confident75Confident121 Ų121129.8 Ų129.857%0.56562%0.623SS**  trans-79.794.8175.7-168.1167.98.700107.5S52 Y56S52-Q54 PolarHBondContact O-N 3.09Å; Q54-Y56 HydrophobicContact CB-CE2 4.11Å; Q54-Y56 HydrophobicContact CG-CE1 4.1Å; Q54-Y56 HydrophobicContact CG-CE2 4.12Å; Q54-Y56 WeakPolarHBondContact O-CD2 3.49Å; Q54-Y56 PolarHBondContact O-N 3.36Å; Q54-Y56 PolarHBondContact OE1-OH 3.16Å
55D75.1Confident73.7Confident101 Ų101130 Ų13054%0.5464%0.639SS.*  trans-66.692.6173.8-78.9-52.8000109.8F53 T57F53-D55 WeakPolarHBondContact CD1-OD1 3.29Å; F53-D55 WeakPolarHBondContact CE1-OD1 3.49Å; F53-D55 PolarHBondContact O-N 3.39Å; F53-D55 VanDerWaalsContact O-N 3.09Å; D55-T57 PolarHBondContact O-N 3.45Å; D55-T57 VanDerWaalsContact O-N 3.17Å
56Y68.5Low72.6Confident134 Ų134128.4 Ų128.453%0.52564%0.636SS.*G310 helixtrans-69.5-1.5170.8-64.4-78.8000112.9Q54 G58 Q59Q54-Y56 HydrophobicContact CB-CE2 4.11Å; Q54-Y56 HydrophobicContact CG-CE1 4.1Å; Q54-Y56 HydrophobicContact CG-CE2 4.12Å; Q54-Y56 WeakPolarHBondContact O-CD2 3.49Å; Q54-Y56 PolarHBondContact O-N 3.36Å; Q54-Y56 PolarHBondContact OE1-OH 3.16Å; Y56-G58 PolarHBondContact O-N 2.99Å; Y56-G58 VanDerWaalsContact O-N 3.14Å; Y56-Q59 PolarHBondContact O-N 3.25Å
57T67.5Low71.4Confident127 Ų127128.8 Ų128.878%0.77964%0.64SS**G310 helixtrans-60.4-18.4172.558.10000112.8D55D55-T57 PolarHBondContact O-N 3.45Å; D55-T57 VanDerWaalsContact O-N 3.17Å
58G63.8Low70.7Confident63 Ų63132.3 Ų132.365%0.64966%0.662SS**G310 helixtrans-84.5-16.1171.600000115Y56 K60Y56-G58 PolarHBondContact O-N 2.99Å; Y56-G58 VanDerWaalsContact O-N 3.14Å; G58-K60 VanDerWaalsContact C-N 3.3Å; G58-K60 PolarHBondContact O-N 2.81Å
59Q70.3Confident70.4Confident128 Ų128126.9 Ų126.960%0.59865%0.646SS**  trans-82.382.7172.9-68.8-177.30.400108.2Y56 I61Y56-Q59 PolarHBondContact O-N 3.25Å; Q59-I61 PolarHBondContact O-N 3.17Å
60K68.4Low70.3Confident191 Ų191122.7 Ų122.783%0.8364%0.64SS**  trans-57107.6166.5-66.6-178.5-178.8-176.90107G58 T62G58-K60 VanDerWaalsContact C-N 3.3Å; G58-K60 PolarHBondContact O-N 2.81Å; K60-T62 VanDerWaalsContact C-N 3.34Å; K60-T62 PolarHBondContact O-N 3.01Å
61I72.8Confident70.2Confident145 Ų145113.9 Ų113.974%0.74461%0.607SS**  trans-60.1104168.6-60.7168.3000105.1Q59 L63Q59-I61 PolarHBondContact O-N 3.17Å; I61-L63 HydrophobicContact CG2-CD2 3.95Å; I61-L63 HydrophobicContact CG2-CG 4.49Å; I61-L63 PolarHBondContact O-N 3.38Å
62T65.8Low70.2Confident109 Ų109115.8 Ų115.867%0.66962%0.62SS**  trans-66.7106.4166.348.30000105.1K60 E64K60-T62 VanDerWaalsContact C-N 3.34Å; K60-T62 PolarHBondContact O-N 3.01Å; T62-E64 PolarHBondContact O-N 2.76Å
63L63.3Low70.4Confident140 Ų140115.9 Ų115.973%0.73361%0.607SS**  trans-70.655167.7-63.8174.5000108.4I61 A65 V66I61-L63 HydrophobicContact CG2-CD2 3.95Å; I61-L63 HydrophobicContact CG2-CG 4.49Å; I61-L63 PolarHBondContact O-N 3.38Å; L63-A65 PolarHBondContact O-N 2.81Å; L63-V66 PolarHBondContact O-N 2.93Å; L63-V66 VanDerWaalsContact O-N 3.14Å
64E58.2Low70.7Confident162 Ų162109.9 Ų109.976%0.75759%0.585SS**  trans-72.3-12.6175.6-163.3176.4177.500110.8T62 V66T62-E64 PolarHBondContact O-N 2.76Å; E64-V66 PolarHBondContact O-N 3.2Å; E64-V66 VanDerWaalsContact O-N 3.09Å
65A57.1Low70.9Confident86 Ų86106.6 Ų106.671%0.71158%0.584SS**  trans-78.939.4160.600000112.2L63 L67L63-A65 PolarHBondContact O-N 2.81Å; A65-L67 PolarHBondContact O-N 3.35Å
66V62.2Low70.9Confident81 Ų81105.2 Ų105.249%0.49158%0.581SS.*SBendtrans-62.790.9139.8175.80000103.3L63 E64 N68L63-V66 PolarHBondContact O-N 2.93Å; L63-V66 VanDerWaalsContact O-N 3.14Å; E64-V66 PolarHBondContact O-N 3.2Å; E64-V66 VanDerWaalsContact O-N 3.09Å; V66-N68 PolarHBondContact O-N 3.49Å; V66-N68 VanDerWaalsContact O-N 3.08Å
67L62.3Low71.5Confident80 Ų80106.6 Ų106.642%0.41959%0.59SS.*  trans-38.5123.7-174.5-69.3157000108.3A65 T69 G78 F80A65-L67 PolarHBondContact O-N 3.35Å; L67-T69 HydrophobicContact CB-CG2 4.15Å; L67-T69 VanDerWaalsContact CB-OG1 3.32Å; L67-T69 WeakPolarHBondContact CB-OG1 3.3Å; L67-T69 PolarHBondContact O-N 2.86Å; L67-T69 PolarHBondContact O-OG1 2.85Å; L67-G78 PolarHBondContact O-N 3.28Å; L67-F80 HydrophobicContact CD1-CD2 4.28Å; L67-F80 HydrophobicContact CD1-CE2 3.67Å; L67-F80 HydrophobicContact CD1-CZ 4.29Å
68N71.1Confident72.2Confident163 Ų163101.9 Ų101.987%0.87257%0.566SS**SBendtrans-62.823.1175.4-72.7-36.6000112.3V66V66-N68 PolarHBondContact O-N 3.49Å; V66-N68 VanDerWaalsContact O-N 3.08Å
69T78.3Confident73.1Confident39 Ų39101.1 Ų101.124%0.23955%0.546CS..PPolyproline II helixtrans-91126.7173.260.80000108.2L67 G78 F80L67-T69 HydrophobicContact CB-CG2 4.15Å; L67-T69 VanDerWaalsContact CB-OG1 3.32Å; L67-T69 WeakPolarHBondContact CB-OG1 3.3Å; L67-T69 PolarHBondContact O-N 2.86Å; L67-T69 PolarHBondContact O-OG1 2.85Å; T69-G78 PolarHBondContact O-N 3.27Å; T69-G78 VanDerWaalsContact O-N 3.07Å; T69-F80 HydrophobicContact CG2-CD1 4.44Å; T69-F80 HydrophobicContact CG2-CE1 3.62Å; T69-F80 HydrophobicContact CG2-CZ 3.88Å
70T81Confident73.7Confident89 Ų8999.9 Ų99.955%0.54654%0.538SS..BIsolated β-bridgetrans-86.6134.6167.546.90000109.1K72 K77T70-K72 PolarHBondContact O-N 3.1Å; T70-K77 HydrophobicContact CG2-CG 3.86Å
71C83.9Confident74.3Confident3 Ų392.3 Ų92.32%0.0251%0.511CS..PPolyproline II helixtrans-70.7128.1175.3178.20000110.4K73 G75 C76 H79 C84C71-K73 PolarHBondContact O-N 2.73Å; C71-K73 PolarHBondContact SG-N 2.91Å; C71-G75 WeakPolarHBondContact O-CA 3.21Å; C71-G75 PolarHBondContact O-N 3.11Å; C71-C76 PolarHBondContact N-O 2.96Å; C71-H79 VanDerWaalsContact CB-NE2 3.34Å; C71-H79 WeakPolarHBondContact CB-NE2 3.37Å; C71-H79 WeakPolarHBondContact CB-O 3.27Å; C71-H79 PolarHBondContact SG-NE2 3.15Å; C71-C84 VanDerWaalsContact SG-CB 3.51Å
72K82.9Confident74.7Confident200 Ų20094.7 Ų94.787%0.8752%0.516SS*.THydrogen-bonded Turntrans-70.1-16.9176.7-63.5-173.4179.6-174.90114.1T70 A81T70-K72 PolarHBondContact O-N 3.1Å; K72-A81 HydrophobicContact CB-CB 4.39Å
73K78.9Confident75.3Confident108 Ų10894.3 Ų94.347%0.4751%0.51SS..THydrogen-bonded Turntrans-90.3-37.3-178.8-70.9179.5179.8172.80113.4C71 A81 C84C71-K73 PolarHBondContact O-N 2.73Å; C71-K73 PolarHBondContact SG-N 2.91Å; K73-A81 HydrophobicContact CD-CB 4.38Å; K73-A81 WeakPolarHBondContact CD-O 3.33Å; K73-A81 WeakPolarHBondContact CE-O 3.29Å; K73-A81 HydrophobicContact CG-CB 4.16Å; K73-A81 PolarHBondContact NZ-O 2.92Å; K73-C84 HydrophobicContact CB-CB 4.18Å; K73-C84 HydrophobicContact CD-CB 3.97Å
74C79.2Confident76.2Confident37 Ų3788.2 Ų88.225%0.2548%0.479CS..THydrogen-bonded Turntrans-124.8-4.6-17772.80000114.5C76 H79 M86C74-C76 PolarHBondContact O-N 3.14Å; C74-C76 VanDerWaalsContact SG-SG 3.66Å; C74-H79 PolarHBondContact SG-CE1 3.27Å; C74-H79 PolarHBondContact SG-NE2 3.46Å; C74-M86 HydrophobicContact CB-CG 4.07Å; C74-M86 HydrophobicContact CB-SD 3.87Å
75G78.2Confident77Confident53 Ų5390.4 Ų90.455%0.54649%0.486SS..  trans72.3-8.4179.900000115.4C71C71-G75 WeakPolarHBondContact O-CA 3.21Å; C71-G75 PolarHBondContact O-N 3.11Å
76C76.1Confident77.5Confident71 Ų7190.3 Ų90.348%0.4847%0.472SS..  trans-69.7143.3178-53.70000111.2C71 C74C71-C76 PolarHBondContact N-O 2.96Å; C74-C76 PolarHBondContact O-N 3.14Å; C74-C76 VanDerWaalsContact SG-SG 3.66Å
77K80.6Confident78Confident164 Ų16493.5 Ų93.571%0.71348%0.482SS*.BIsolated β-bridgetrans-76.4148.3174.4-65.9179.6-179.6-174.20110.2T70T70-K77 HydrophobicContact CG2-CG 3.86Å
78G81.8Confident78.1Confident27 Ų2795.6 Ų95.628%0.27850%0.501SS..THydrogen-bonded Turntrans101.92.7169.800000117.4L67 T69L67-G78 PolarHBondContact O-N 3.28Å; T69-G78 PolarHBondContact O-N 3.27Å; T69-G78 VanDerWaalsContact O-N 3.07Å
79H82.8Confident77.8Confident48 Ų4891.9 Ų91.922%0.22250%0.501CS..  trans-148.7158171.469.2-83.7000113.1C71 C74 C84C71-H79 VanDerWaalsContact CB-NE2 3.34Å; C71-H79 WeakPolarHBondContact CB-NE2 3.37Å; C71-H79 WeakPolarHBondContact CB-O 3.27Å; C71-H79 PolarHBondContact SG-NE2 3.15Å; C74-H79 PolarHBondContact SG-CE1 3.27Å; C74-H79 PolarHBondContact SG-NE2 3.46Å; H79-C84 WeakPolarHBondContact NE2-CB 3.41Å; H79-C84 PolarHBondContact NE2-SG 2.85Å
80F82.7Confident77Confident101 Ų10191.3 Ų91.344%0.44350%0.503SS..  trans-84.3156.9174.9-69.2-71.8000112L67 T69 K82 D83 C84L67-F80 HydrophobicContact CD1-CD2 4.28Å; L67-F80 HydrophobicContact CD1-CE2 3.67Å; L67-F80 HydrophobicContact CD1-CZ 4.29Å; T69-F80 HydrophobicContact CG2-CD1 4.44Å; T69-F80 HydrophobicContact CG2-CE1 3.62Å; T69-F80 HydrophobicContact CG2-CZ 3.88Å; F80-K82 PolarHBondContact O-N 3.18Å; F80-D83 PolarHBondContact O-N 2.81Å; F80-C84 PolarHBondContact O-N 3.45Å
81A82.4Confident75.9Confident32 Ų3291.9 Ų91.926%0.26451%0.506SS..THydrogen-bonded Turntrans-58.6-18.4175.100000114.2K72 K73K72-A81 HydrophobicContact CB-CB 4.39Å; K73-A81 HydrophobicContact CD-CB 4.38Å; K73-A81 WeakPolarHBondContact CD-O 3.33Å; K73-A81 WeakPolarHBondContact CE-O 3.29Å; K73-A81 HydrophobicContact CG-CB 4.16Å; K73-A81 PolarHBondContact NZ-O 2.92Å
82K80.1Confident74.7Confident195 Ų195100.3 Ų100.385%0.84854%0.543SS*.THydrogen-bonded Turntrans-75.7-35.6175.1-65.5-176.6179.1-1780112.4F80F80-K82 PolarHBondContact O-N 3.18Å
83D79.1Confident73.6Confident102 Ų102100.3 Ų100.355%0.54554%0.538SS..THydrogen-bonded Turntrans-96.23.6-178.9-54.7-44000112.5F80 F85F80-D83 PolarHBondContact O-N 2.81Å; D83-F85 WeakPolarHBondContact O-CD2 3.19Å; D83-F85 PolarHBondContact O-N 3.47Å
84C80.8Confident72.5Confident12 Ų1299.7 Ų99.78%0.08155%0.548CS..  trans-75.1112.3176.1-169.90000109.9C71 K73 H79 F80 M86C71-C84 VanDerWaalsContact SG-CB 3.51Å; K73-C84 HydrophobicContact CB-CB 4.18Å; K73-C84 HydrophobicContact CD-CB 3.97Å; H79-C84 WeakPolarHBondContact NE2-CB 3.41Å; H79-C84 PolarHBondContact NE2-SG 2.85Å; F80-C84 PolarHBondContact O-N 3.45Å; C84-M86 PolarHBondContact O-N 3.32Å
85F75.3Confident71.7Confident207 Ų207105.9 Ų105.991%0.90858%0.578SS**  trans-70.8-3.2176.1-66.4-84.2000113.7D83 Q87D83-F85 WeakPolarHBondContact O-CD2 3.19Å; D83-F85 PolarHBondContact O-N 3.47Å; F85-Q87 PolarHBondContact O-N 3.45Å; F85-Q87 VanDerWaalsContact O-N 3.17Å
86M68.3Low70.5Confident84 Ų84110 Ų11041%0.41459%0.586SS.*  trans-75.5104.4170.6-55.4-137.38100109C74 C84 K92C74-M86 HydrophobicContact CB-CG 4.07Å; C74-M86 HydrophobicContact CB-SD 3.87Å; C84-M86 PolarHBondContact O-N 3.32Å; M86-K92 HydrophobicContact CE-CG 4.11Å
87Q72.4Confident69.6Low148 Ų148111.3 Ų111.369%0.69259%0.593SS**  trans-65135.1169.7-78.6178.1-59.400109.6F85 G89 G90F85-Q87 PolarHBondContact O-N 3.45Å; F85-Q87 VanDerWaalsContact O-N 3.17Å; Q87-G89 PolarHBondContact O-N 2.79Å; Q87-G90 PolarHBondContact O-N 2.92Å
88P64.6Low67.9Low125 Ų125110.9 Ų110.981%0.81260%0.598SS**THydrogen-bonded Turntrans-72.373.5178.130.9-34.6000110.5
89G65.4Low66.4Low85 Ų85118.5 Ų118.588%0.87663%0.627SS**THydrogen-bonded Turntrans131.32.2-172.200000114.7Q87Q87-G89 PolarHBondContact O-N 2.79Å
90G59.9Low64.9Low27 Ų27125.1 Ų125.128%0.27866%0.658SS.*  trans-94141-179.500000112.9Q87 K92Q87-G90 PolarHBondContact O-N 2.92Å; G90-K92 PolarHBondContact O-N 2.93Å
91T58.8Low63.2Low101 Ų101129.3 Ų129.362%0.6268%0.679SS**  trans-41.7125.6175.231.10000112.9Y93T91-Y93 PolarHBondContact O-N 3.13Å; T91-Y93 VanDerWaalsContact O-N 3.09Å; T91-Y93 WeakPolarHBondContact OG1-CE2 3.1Å
92K59Low61.5Low180 Ų180137.1 Ų137.178%0.78371%0.71SS**  trans-71.498.1162.8-62.2-178.2-175.5177.60106.5M86 G90 S94M86-K92 HydrophobicContact CE-CG 4.11Å; G90-K92 PolarHBondContact O-N 2.93Å; K92-S94 VanDerWaalsContact C-N 3.3Å; K92-S94 PolarHBondContact O-N 3.34Å
93Y58.8Low60Low199 Ų199137.2 Ų137.278%0.7871%0.71SS**  trans-69.9100161-63.6-80000105.8T91 L95T91-Y93 PolarHBondContact O-N 3.13Å; T91-Y93 VanDerWaalsContact O-N 3.09Å; T91-Y93 WeakPolarHBondContact OG1-CE2 3.1Å; Y93-L95 PolarHBondContact O-N 3.17Å; Y93-L95 VanDerWaalsContact O-N 3.11Å
94S57.3Low58.7Low96 Ų96141 Ų14167%0.67173%0.725SS**  trans-51.4117.2153.839.90000105.2K92 I96K92-S94 VanDerWaalsContact C-N 3.3Å; K92-S94 PolarHBondContact O-N 3.34Å; S94-I96 VanDerWaalsContact C-N 3.33Å; S94-I96 PolarHBondContact O-N 2.71Å
95L60.7Low56.9Low167 Ų167149.7 Ų149.787%0.87476%0.764SS**  trans-44.7112.2158.7-80.8156.7000104.7Y93 P97Y93-L95 PolarHBondContact O-N 3.17Å; Y93-L95 VanDerWaalsContact O-N 3.11Å; L95-P97 VanDerWaalsContact O-CD 3.31Å; L95-P97 WeakPolarHBondContact O-CD 3.48Å
96I54.6Low55.4Low140 Ų140144.8 Ų144.872%0.71876%0.762SS**  trans-49.3118.5173.6-66.7165.9000103.5S94 D98S94-I96 VanDerWaalsContact C-N 3.33Å; S94-I96 PolarHBondContact O-N 2.71Å; I96-D98 PolarHBondContact O-N 2.81Å
97P56.3Low54.2Low98 Ų98149.9 Ų149.964%0.63678%0.782SS**  trans-48.2124.1169.8-24.734.3000106L95 E99L95-P97 VanDerWaalsContact O-CD 3.31Å; L95-P97 WeakPolarHBondContact O-CD 3.48Å; P97-E99 PolarHBondContact O-N 3.03Å
98D45.6Very low52.7Low154 Ų154148.6 Ų148.682%0.82479%0.789SS**  trans-56.595.8168.3-72.4-59.6000105.6I96 E100I96-D98 PolarHBondContact O-N 2.81Å; D98-E100 PolarHBondContact O-N 3.31Å
99E49.3Very low51.5Low188 Ų188147 Ų14788%0.87979%0.787SS**THydrogen-bonded Turntrans-68.239.2179.4-74.5-174.2136.900111P97P97-E99 PolarHBondContact O-N 3.03Å
100E51.5Low50.2Low187 Ų187151.7 Ų151.787%0.87479%0.786SS**THydrogen-bonded Turntrans-133.80.2-178.5-140.2175.3-177.900115.8D98D98-E100 PolarHBondContact O-N 3.31Å
101E47Very low49Very low188 Ų188159.9 Ų159.988%0.87981%0.814SS**SBendtrans-116.47.7172.6-93.7-172.5151.600115.6K103E101-K103 VanDerWaalsContact C-N 3.33Å; E101-K103 PolarHBondContact O-N 3.2Å
102E46.7Very low47.9Very low197 Ų197162.7 Ų162.792%0.92182%0.82SS**THydrogen-bonded Turntrans-88.438.5179.3-151.6-171.2152.600114.8
103K49.8Very low47.3Very low197 Ų197163.9 Ų163.986%0.85783%0.825SS**THydrogen-bonded Turntrans-135.31.6170.6-144.9-173173.1-1790117.8E101E101-K103 VanDerWaalsContact C-N 3.33Å; E101-K103 PolarHBondContact O-N 3.2Å
104E50.1Low46.5Very low181 Ų181160 Ų16085%0.84682%0.824SS**SBendtrans-137.267.3178.9-66.4-161.7168.600113.1
105E44Very low45.6Very low194 Ų194161.8 Ų161.891%0.90783%0.826SS**  trans-164.937.7145.5-114.5176.9174.500114.7K107E105-K107 VanDerWaalsContact C-N 3.27Å; E105-K107 PolarHBondContact O-N 3.09Å
106A44.1Very low45Very low104 Ų104159.4 Ų159.486%0.8682%0.821SS**  trans-90.254.3161.600000111.2
107K42.1Very low44.6Very low191 Ų191158.3 Ų158.383%0.8382%0.821SS**  trans-154.486.5164.9-83.7-167.2-179.2170.80111.4E105E105-K107 VanDerWaalsContact C-N 3.27Å; E105-K107 PolarHBondContact O-N 3.09Å
108S41.7Very low43.8Very low122 Ų122165 Ų16585%0.85383%0.834SS**  175.9103.7124.543.10000109.3
109A38.6Very low43.7Very low92 Ų92165.4 Ų165.476%0.7684%0.836SS**  trans-65.9147.6161.200000109.9
110E37.7Very low43.5Very low182 Ų182161.6 Ų161.685%0.8583%0.827SS**  trans70.799.7143.4-153.4178146.100117.8
111F35Very low43.3Very low200 Ų200157.7 Ų157.788%0.87782%0.82SS**  trans-140.8119.2146.1-166.1-101.9000110.7
112E36.1Very low43.4Very low160 Ų160161 Ų16175%0.74883%0.825SS**  trans-55.3154.1179.2-74.8-164.1111.200114.4
113K46.3Very low43.5Very low205 Ų205161.6 Ų161.689%0.89182%0.824SS**  trans-66.4140.6163.7-62.6170.8179176.60110.2
114P41.7Very low43.6Very low116 Ų116164.3 Ų164.375%0.75383%0.829SS**  trans-106.5131.8153.425.5-11.6000112.1
115D38.5Very low43.5Very low134 Ų134165.1 Ų165.172%0.71783%0.83SS**  trans-65.8151.4174-173.5-87.6000113.1T117D115-T117 PolarHBondContact O-N 3.34Å
116P48.2Very low43.7Very low118 Ų118165.8 Ų165.877%0.76683%0.83SS**  trans-9778.1-170.838.3-32.9000113.1
117T45.6Very low43.6Very low117 Ų117167.3 Ų167.372%0.71882%0.819SS**  trans-150.488.5168.749.10000114.4D115D115-T117 PolarHBondContact O-N 3.34Å
118R40.2Very low43.9Very low239 Ų239165.9 Ų165.990%0.90281%0.813SS**  trans-175108.9146.5-117.4167.7151-175.6-6113.4
119N43.5Very low44.1Very low161 Ų161169.1 Ų169.186%0.86181%0.812SS**  trans-88.9143.6146.8-86.9-40.6000107.5
120P45Very low44.8Very low108 Ų108174 Ų17470%0.70182%0.816SS**  -148.4138.797.834.5-15.8000115.9
121S47.2Very low45.7Very low105 Ų105175.5 Ų175.573%0.73482%0.819SS**  trans32.5115.9139.767.90000119.4
122R48.7Very low46.3Very low259 Ų259175.8 Ų175.898%0.97782%0.821SS**  trans-145.397.7142.2-106.4167.8-167.6-171.93.6111.3
123K48.7Very low46.9Very low208 Ų208175.4 Ų175.490%0.90482%0.818SS**  trans-76.9112.1170.4-161.6178.4-164.6174.40107.9
124R53.1Low47Very low255 Ų255176.8 Ų176.896%0.96282%0.818SS**  trans-139.5116.8157.5-91.6-171.2171.9-179.3-2.8111.6
125K48.7Very low47.1Very low197 Ų197177.3 Ų177.386%0.85781%0.814SS**  trans-73.9131.9174.7174.3-173.6-176.5-1780110.1
126K46.5Very low47.6Very low209 Ų209182.5 Ų182.591%0.90982%0.824SS**  trans-159.8143.4144.4-154.6161.1-179.6176.20112.7
127E43.3Very low47.6Very low135 Ų135185.7 Ų185.763%0.63183%0.826SS**  trans-81.4160.4-163.2-72.2175.889.800116.9
128K48Very low47.5Very low162 Ų162184.6 Ų184.670%0.70482%0.823SS**  trans82.5127.3132.1-92.4171.7-178.5141.40123
129K46.6Very low47.8Very low189 Ų189177.7 Ų177.782%0.82281%0.811SS**  trans69.9136.4144.4-80.2-176.1169.8-179.70116.1
130K52.5Low47.7Very low194 Ų194176.9 Ų176.984%0.84381%0.807SS**  -151.2139.450.7-70.6174.4178.11790112.7
131K55.4Low47.4Very low214 Ų214177.2 Ų177.293%0.9381%0.812SS**  trans-65.8125.4159.3-68.5177.3175.7-1790108.2
132K48.7Very low47.5Very low207 Ų207179.7 Ų179.790%0.982%0.817SS**  trans-95115.8165.1-84.1-173.2175.8-178.10108.9
133H47.9Very low47.2Very low151 Ų151172.7 Ų172.770%0.69981%0.808SS**  trans-60.4127162.4-171.4-103.4000107.7D135H133-D135 IonicContact CE1-OD1 3.28Å; H133-D135 PolarHBondContact CE1-OD1 3.17Å; H133-D135 VanDerWaalsContact CE1-OD1 3.28Å; H133-D135 IonicContact ND1-OD1 2.88Å; H133-D135 PolarHBondContact ND1-OD1 3.2Å
134R48.3Very low46.8Very low235 Ų235168 Ų16889%0.88780%0.801SS**  trans-98.8108.8165.1-172.4175.6-178.5177.30105.8R136R134-R136 PolarHBondContact O-N 3.36Å
135D44.2Very low46.5Very low127 Ų127162.8 Ų162.868%0.67979%0.792SS**  trans-54.5119.6-179.5-61-66.9000110.4H133 K137H133-D135 IonicContact CE1-OD1 3.28Å; H133-D135 PolarHBondContact CE1-OD1 3.17Å; H133-D135 VanDerWaalsContact CE1-OD1 3.28Å; H133-D135 IonicContact ND1-OD1 2.88Å; H133-D135 PolarHBondContact ND1-OD1 3.2Å; D135-K137 PolarHBondContact O-N 3.23Å
136R49.6Very low46.1Very low243 Ų243158.7 Ų158.792%0.91779%0.788SS**  trans-72.7102.7163.8-76.7179.1174.5174.6-2.9106.5R134 S138R134-R136 PolarHBondContact O-N 3.36Å; R136-S138 PolarHBondContact O-N 3.28Å; R136-S138 VanDerWaalsContact O-N 3.17Å
137K47Very low46.3Very low185 Ų185157.3 Ų157.380%0.80479%0.785SS**  trans-66.9107.6161.6-174.876.6179.5-1630106.9D135D135-K137 PolarHBondContact O-N 3.23Å
138S45.3Very low46.3Very low94 Ų94156.7 Ų156.766%0.65780%0.796SS**  trans-63.3125.8157.146.70000107.9R136R136-S138 PolarHBondContact O-N 3.28Å; R136-S138 VanDerWaalsContact O-N 3.17Å
139S45.4Very low46.3Very low93 Ų93156 Ų15665%0.6580%0.8SS**  trans-133.194.9161.554.70000106.3
140D40.9Very low46.2Very low144 Ų144153.5 Ų153.577%0.7780%0.801SS**  trans-49.3130.6151.5-61-82.8000108.4
141S40.4Very low45.6Very low116 Ų116147.4 Ų147.481%0.81179%0.793SS**  trans-137.283.2169.8-73.70000107.5
142D48.6Very low45.2Very low156 Ų156146.8 Ų146.883%0.83479%0.79SS**  trans-71.6153151.9-92-69.2000110.2
143S41.1Very low45.2Very low113 Ų113148 Ų14879%0.7979%0.789SS**  trans112.7100.5152.8-151.70000118.2
144S41.6Very low44.9Very low109 Ų109145.7 Ų145.776%0.76280%0.797SS**  55.1119.4127.2-98.90000123.6
145D46.8Very low44.9Very low146 Ų146144.8 Ų144.878%0.78179%0.793SS**  36113.1112.7-126.7-60.5000119.4
146S40.4Very low45.1Very low111 Ų111147.9 Ų147.978%0.77680%0.803SS**  164.2133.8124-80.10000113.3
147E49.7Very low45.1Very low179 Ų179141.6 Ų141.684%0.83679%0.792SS**  trans-52.8147.6165.8-55-90.9106.600112.6
148S44Very low45Very low123 Ų123137.7 Ų137.786%0.8679%0.788SS**  164.3141.1117.844.40000114.3
149D48.6Very low45Very low146 Ų146142.1 Ų142.178%0.78180%0.795SS**  trans-55.1141.1173.9-157.9-79.5000113
150T42.9Very low45Very low137 Ų137143.8 Ų143.884%0.8480%0.797SS**  trans169.2127.5130.842.90000112.8
151G40Very low45.4Very low66 Ų66141.5 Ų141.568%0.6879%0.792SS**  108.7101.813000000120.7
152K47.8Very low45.5Very low201 Ų201146.7 Ų146.787%0.87480%0.8SS**  trans83.1103.1132.2-58.9177.5-175175.70120.6
153R48.8Very low45.5Very low232 Ų232143.8 Ų143.888%0.87580%0.798SS**  52.6111.5125.8-71.6179.7162.9-172.6-3.2119.4
154A42.1Very low45.8Very low104 Ų104143.1 Ų143.186%0.8680%0.799SS**  -144.912412500000109.4
155R48.3Very low46.3Very low215 Ų215147.8 Ų147.881%0.81181%0.806SS**  trans-70132.2176.9-69.9170.4168.9-178-4.9108.9
156H48.3Very low46.5Very low193 Ų193151.1 Ų151.189%0.89481%0.813SS**  trans-119.6129.7143.6-110.5-83.6000109.7
157T48.2Very low47.1Very low110 Ų110155.5 Ų155.568%0.67582%0.818SS**  trans-80.9124.8-165.946.30000111.9
158S46Very low47Very low104 Ų104156.8 Ų156.873%0.72782%0.821SS**  trans43.714013560.80000121.8
159K45.9Very low47.4Very low187 Ų187160.5 Ų160.581%0.81382%0.822SS**  trans111.2119.1139.3-153.4154.5-173.5-176.10111.9
160D44.4Very low47.6Very low127 Ų127163.1 Ų163.168%0.67983%0.826SS**  cis-150.3-178.935.5-138.7-67000113.3
161S48.8Very low48.1Very low96 Ų96165.6 Ų165.667%0.67183%0.825SS**  trans-96129.6-139.2-40.90000114.8A163S161-A163 PolarHBondContact O-N 2.88Å
162K44.2Very low48.8Very low225 Ų225171.7 Ų171.798%0.97883%0.833SS**  trans-84.594.1155-97.5-174.6178.2174.80109.7
163A47.1Very low48.9Very low96 Ų96170.2 Ų170.279%0.79383%0.829SS**  trans-83.7117.5163.900000109.8S161S161-A163 PolarHBondContact O-N 2.88Å
164A47.4Very low49.2Very low98 Ų98168.2 Ų168.281%0.8183%0.827SS**  trans-171.795.6139.200000109.7
165K52.1Low49.8Very low207 Ų207171.9 Ų171.990%0.982%0.823SS**  trans-57131.2160.1-70.9173173.61710109.6
166K51Low50.2Low216 Ų216170.8 Ų170.894%0.93982%0.824SS**  trans-142.1108.9134.5-84.1-165.9177.7172.10110.4
167K53.9Low50.1Low203 Ų203169.2 Ų169.288%0.88382%0.817SS**  trans-89.2159.2165.6-81.2-170.9174.7-178.80110
168K47.2Very low50.3Low206 Ų206173.9 Ų173.990%0.89683%0.828SS**  trans80.4130.2167.3-73.7178.3168.71760114.5
169K51.6Low50.3Low202 Ų202180.7 Ų180.788%0.87885%0.848SS**  cis-154.9134.347-147.6173.6-175.5177.10111.1
170K53.4Low50.5Low200 Ų200180.4 Ų180.487%0.8785%0.85SS**  trans-69.3135164.2-70.2-173.9175.8-1770109
171K53.1Low50.9Low189 Ų189183.2 Ų183.282%0.82286%0.859SS**  trans-127108.4155.5-114-173.5177.7-174.10108.4
172K54.9Low51Low194 Ų194188 Ų18884%0.84387%0.869SS**  trans-71135.9163.9-72.2178.3171.9-178.30107.5
173H49.2Very low51.4Low171 Ų171185.8 Ų185.879%0.79286%0.863SS**  trans-125.4129.7149.8-88.2-81.7000109.6
174K56.5Low51.6Low190 Ų190191.4 Ų191.483%0.82687%0.867SS**  trans-82.8134.1-173.7176177.5176.4176.60108.6
175K55.4Low51.9Low180 Ų180197.7 Ų197.778%0.78387%0.871SS**  trans-48.4139165-108.1-178.7173-177.10111.4
176K56.3Low51.9Low193 Ų193197 Ų19784%0.83987%0.869SS**  trans-145.4129.4139.7-78.4-158.5175.2-173.50110
177H45.7Very low52Low159 Ų159195.5 Ų195.574%0.73686%0.863SS**  trans-66153.3168-100.3-105.5000111
178K52.5Low51.8Low209 Ų209194.9 Ų194.991%0.90986%0.862SS**  trans-145.9104.5143.1-169.7177.1-179.4-176.10107.4
179E46.1Very low52.2Low246 Ų246193.9 Ų193.9100%1.1586%0.859SS**  trans-115.50149.7-163.5178.2163.800105

Retrieved 179 of 179 residues in 590.8 ms (Link to these results)