A0A096MZI8_PAPAN Loading...

Calcium/calmodulin dependent protein kinase II inhibitor 1

AlphaFold DB (Q7Z7J9), UniProt , Accession A0A096MZI8, Species PAPAN (Papio anubis, Olive baboon), Gene CAMK2N1, Length 78 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
1M51.3Low63.6Low225 Ų225143.3 Ų143.3100%1.10875%0.749SS**  0117.10-71162.9164.600105.4E3M1-E3 PolarHBondContact O-N 3.2Å
2S63.3Low62.9Low114 Ų114138 Ų13880%0.79772%0.721SS**  trans-74.5112.1173.751.20000106.8V4S2-V4 PolarHBondContact O-N 2.64Å
3E65.8Low62.7Low155 Ų155133.5 Ų133.572%0.72471%0.708SS**  trans-58.3108.5171.2-59.7-61.612300107.3M1 L5M1-E3 PolarHBondContact O-N 3.2Å; E3-L5 VanDerWaalsContact C-N 3.34Å; E3-L5 PolarHBondContact O-N 3.16Å
4V68.2Low62.2Low130 Ų130132.1 Ų132.179%0.78871%0.711SS**  trans-66.9102.9166147.90000105.1S2S2-V4 PolarHBondContact O-N 2.64Å
5L67.3Low61.6Low137 Ų137138.1 Ų138.172%0.71772%0.722SS**  trans-63138.6172.7-67.5175.3000108.2E3 Y7E3-L5 VanDerWaalsContact C-N 3.34Å; E3-L5 PolarHBondContact O-N 3.16Å; L5-Y7 PolarHBondContact O-N 3.21Å; L5-Y7 VanDerWaalsContact O-N 3.14Å
6P62.7Low61.1Low120 Ų120133.3 Ų133.378%0.77972%0.715SS**  trans-52.1123.7175.5-23.832.5000109.7G8P6-G8 PolarHBondContact O-N 3.11Å; P6-G8 VanDerWaalsContact O-N 3.11Å
7Y63.2Low61.1Low198 Ų198135.9 Ų135.978%0.77673%0.729SS**  trans-62.4113.5173.8-108.1-96.4000107.8L5 D9L5-Y7 PolarHBondContact O-N 3.21Å; L5-Y7 VanDerWaalsContact O-N 3.14Å; Y7-D9 PolarHBondContact O-N 3.49Å
8G66.1Low60.5Low34 Ų34132.3 Ų132.335%0.35173%0.729SS.*  trans-68.4122.1176.900000110.7P6 E10 K11P6-G8 PolarHBondContact O-N 3.11Å; P6-G8 VanDerWaalsContact O-N 3.11Å; G8-E10 PolarHBondContact O-N 3.09Å; G8-K11 PolarHBondContact O-N 3.21Å
9D64.2Low59.9Low125 Ų125128.5 Ų128.567%0.66872%0.723SS**G310 helixtrans-58-19.5178.1-65.6-57.1000112.9Y7 K11 L12Y7-D9 PolarHBondContact O-N 3.49Å; D9-K11 PolarHBondContact O-N 3.05Å; D9-K11 VanDerWaalsContact O-N 3.09Å; D9-L12 HydrophobicContact CB-CD1 4.35Å; D9-L12 VanDerWaalsContact O-CB 3.31Å; D9-L12 WeakPolarHBondContact O-CB 3.38Å; D9-L12 PolarHBondContact O-N 3.36Å
10E67.6Low59.7Low182 Ų182130.9 Ų130.985%0.8573%0.734SS**G310 helixtrans-58.9-20176.664.5-171.5115.600114.3G8G8-E10 PolarHBondContact O-N 3.09Å
11K59.5Low59.3Low156 Ų156130.2 Ų130.268%0.67873%0.733SS**G310 helixtrans-88-9.2175.6-62.5-114.1-178.4-175.90113.1G8 D9 S13G8-K11 PolarHBondContact O-N 3.21Å; D9-K11 PolarHBondContact O-N 3.05Å; D9-K11 VanDerWaalsContact O-N 3.09Å; K11-S13 VanDerWaalsContact C-N 3.29Å; K11-S13 PolarHBondContact O-N 2.94Å; K11-S13 VanDerWaalsContact O-N 3.08Å
12L55.9Low59.6Low80 Ų80122.4 Ų122.442%0.41971%0.71SS.*  trans-84.272.2176.7-63.1166.2000109.3D9 P14 Q23D9-L12 HydrophobicContact CB-CD1 4.35Å; D9-L12 VanDerWaalsContact O-CB 3.31Å; D9-L12 WeakPolarHBondContact O-CB 3.38Å; D9-L12 PolarHBondContact O-N 3.36Å; L12-P14 VanDerWaalsContact O-CD 3.3Å; L12-P14 WeakPolarHBondContact O-CD 3.3Å; L12-Q23 HydrophobicContact CD2-CG 4.15Å
13S60.3Low59.3Low79 Ų79123.1 Ų123.155%0.55270%0.701SS**  trans-81.9115.5168.8-1670000108.6K11 Y15K11-S13 VanDerWaalsContact C-N 3.29Å; K11-S13 PolarHBondContact O-N 2.94Å; K11-S13 VanDerWaalsContact O-N 3.08Å; S13-Y15 PolarHBondContact O-N 2.82Å
14P55.8Low59Low114 Ų114121.6 Ų121.674%0.7470%0.697SS**  trans-65.7118.4176.925.9-31.5000108.8L12 G16L12-P14 VanDerWaalsContact O-CD 3.3Å; L12-P14 WeakPolarHBondContact O-CD 3.3Å; P14-G16 PolarHBondContact O-N 3.16Å
15Y53.4Low58.9Low223 Ų223123.4 Ų123.488%0.87569%0.694SS**  trans-93.798.1175.1-136.3-93.1000108.2S13S13-Y15 PolarHBondContact O-N 2.82Å
16G53.8Low58.7Low60 Ų60120 Ų12062%0.61968%0.681SS**SBendtrans134.5113.8177.800000111.7P14 G18P14-G16 PolarHBondContact O-N 3.16Å; G16-G18 PolarHBondContact O-N 2.74Å; G16-G18 VanDerWaalsContact O-N 3.16Å
17D60Low58.7Low179 Ų179120.2 Ų120.296%0.95769%0.685SS**SBendtrans-67.3102.6164.1-177.458.4000107.8
18G50.8Low58.5Low70 Ų70118 Ų11872%0.72268%0.675SS**SBendtrans108.5117.1167.300000116.3G16G16-G18 PolarHBondContact O-N 2.74Å; G16-G18 VanDerWaalsContact O-N 3.16Å
19G49.5Very low58.4Low60 Ų60123.5 Ų123.562%0.61970%0.696SS**SBendtrans97.4107.7152.200000114.8V21G19-V21 WeakPolarHBondContact O-CG2 3.43Å; G19-V21 PolarHBondContact O-N 3.08Å
20D55.1Low58.5Low177 Ų177125.3 Ų125.395%0.94770%0.7SS**  trans24.523.4142.1-91.2-56.7000122.4G22D20-G22 PolarHBondContact O-N 3.01Å
21V52.4Low58.4Low117 Ų117122 Ų12271%0.70969%0.689SS**  trans-89.292.7170.1-161.60000107G19 I24G19-V21 WeakPolarHBondContact O-CG2 3.43Å; G19-V21 PolarHBondContact O-N 3.08Å; V21-I24 HydrophobicContact CG1-CD1 4.07Å
22G55.7Low58.5Low61 Ų61118.4 Ų118.463%0.62968%0.679SS**  trans-43146.4-174.500000114.3D20 I24D20-G22 PolarHBondContact O-N 3.01Å; G22-I24 WeakPolarHBondContact O-CG1 3.31Å; G22-I24 PolarHBondContact O-N 3.14Å
23Q58.9Low58.9Low128 Ų128120.3 Ų120.360%0.59869%0.69SS**  trans-17.986.3178.4-164.9168.210.600114.3L12 F25L12-Q23 HydrophobicContact CD2-CG 4.15Å; Q23-F25 PolarHBondContact O-N 2.7Å; Q23-F25 VanDerWaalsContact O-N 3.16Å
24I58.8Low58.9Low124 Ų124122.3 Ų122.364%0.63670%0.695SS**  trans-73.5113.4175.6-62.2175.4000106.6V21 G22 S26V21-I24 HydrophobicContact CG1-CD1 4.07Å; G22-I24 WeakPolarHBondContact O-CG1 3.31Å; G22-I24 PolarHBondContact O-N 3.14Å; I24-S26 PolarHBondContact O-N 2.88Å
25F65.1Low59.1Low167 Ų167123.3 Ų123.373%0.73269%0.687SS**  trans-63.981.4166.8-64.9-87000108.4Q23 C27Q23-F25 PolarHBondContact O-N 2.7Å; Q23-F25 VanDerWaalsContact O-N 3.16Å; F25-C27 VanDerWaalsContact C-N 3.29Å; F25-C27 PolarHBondContact O-N 2.99Å
26S62.8Low59.5Low65 Ų65119.9 Ų119.946%0.45568%0.678SS.*  trans-64102.1164.768.60000105.5I24 R28I24-S26 PolarHBondContact O-N 2.88Å; S26-R28 PolarHBondContact O-N 2.81Å
27C64Low59.7Low126 Ų126119.9 Ų119.985%0.85168%0.677SS**  trans-64.774162.637.30000106.4F25 L29F25-C27 VanDerWaalsContact C-N 3.29Å; F25-C27 PolarHBondContact O-N 2.99Å; C27-L29 PolarHBondContact O-N 3.41Å
28R59.5Low59.6Low150 Ų150115.4 Ų115.457%0.56667%0.665SS**  trans-52.7117.2168.6-69.1-70.4-178.8113.6-1.7104.5S26 Q30S26-R28 PolarHBondContact O-N 2.81Å; R28-Q30 VanDerWaalsContact C-N 3.3Å; R28-Q30 PolarHBondContact O-N 3.28Å
29L64Low59.9Low151 Ų151114.1 Ų114.179%0.79165%0.652SS**  trans-51.1104.5168.5-178.665.9000105.4C27 D31C27-L29 PolarHBondContact O-N 3.41Å; L29-D31 PolarHBondContact O-N 3Å
30Q65.9Low60.3Low162 Ų162120.4 Ų120.476%0.75767%0.665SS**  trans-56.2139.7178.3-68.4-178-3.800107R28 T32R28-Q30 VanDerWaalsContact C-N 3.3Å; R28-Q30 PolarHBondContact O-N 3.28Å; Q30-T32 PolarHBondContact O-N 2.92Å
31D64.4Low60.5Low114 Ų114119.3 Ų119.361%0.6166%0.659SS**  trans-46.5112.7179.7-66.1-56.1000109.5L29 N33 N34L29-D31 PolarHBondContact O-N 3Å; D31-N33 PolarHBondContact O-N 3.14Å; D31-N34 PolarHBondContact O-N 3.36Å; D31-N34 VanDerWaalsContact O-N 3.14Å
32T63Low61Low79 Ų79122.5 Ų122.549%0.48566%0.663SS.*THydrogen-bonded Turntrans-62.1-11.1-17750.60000112Q30 N34 F35 F36Q30-T32 PolarHBondContact O-N 2.92Å; T32-N34 VanDerWaalsContact C-N 3.28Å; T32-N34 PolarHBondContact O-N 2.94Å; T32-F35 VanDerWaalsContact O-CB 3.27Å; T32-F35 WeakPolarHBondContact O-CB 3.33Å; T32-F35 PolarHBondContact O-N 3.05Å; T32-F35 VanDerWaalsContact O-N 3.1Å; T32-F36 WeakPolarHBondContact O-CD2 3.47Å
33N62.8Low61.7Low121 Ų121130.4 Ų130.465%0.64767%0.674SS**Hα-helixtrans-57.3-37.2172.8-69.1-59.1000112.7D31 F35 F36 G37D31-N33 PolarHBondContact O-N 3.14Å; N33-F35 VanDerWaalsContact C-N 3.3Å; N33-F35 PolarHBondContact O-N 2.82Å; N33-F36 PolarHBondContact O-N 2.99Å; N33-G37 PolarHBondContact O-N 3.21Å
34N61.3Low62.2Low121 Ų121127.2 Ų127.265%0.64767%0.665SS**Hα-helixtrans-71.9-24.3177.2-7972000113.1D31 T32 F36 A38D31-N34 PolarHBondContact O-N 3.36Å; D31-N34 VanDerWaalsContact O-N 3.14Å; T32-N34 VanDerWaalsContact C-N 3.28Å; T32-N34 PolarHBondContact O-N 2.94Å; N34-F36 VanDerWaalsContact C-N 3.29Å; N34-F36 PolarHBondContact O-N 2.95Å; N34-A38 WeakPolarHBondContact O-CB 3.27Å; N34-A38 PolarHBondContact O-N 3Å
35F59.9Low62.8Low134 Ų134125.2 Ų125.259%0.58866%0.66SS**Hα-helixtrans-65.5-33.6176.5-172.7-100.5000112T32 N33 P44T32-F35 VanDerWaalsContact O-CB 3.27Å; T32-F35 WeakPolarHBondContact O-CB 3.33Å; T32-F35 PolarHBondContact O-N 3.05Å; T32-F35 VanDerWaalsContact O-N 3.1Å; N33-F35 VanDerWaalsContact C-N 3.3Å; N33-F35 PolarHBondContact O-N 2.82Å; F35-P44 HydrophobicContact CE1-CB 3.76Å; F35-P44 HydrophobicContact CE1-CG 3.66Å; F35-P44 HydrophobicContact CZ-CB 3.9Å; F35-P44 HydrophobicContact CZ-CG 4.23Å
36F62Low63.2Low152 Ų152125 Ų12567%0.66766%0.659SS**Hα-helixtrans-94.5-25.2176.6-61-75.2000113.5T32 N33 N34T32-F36 WeakPolarHBondContact O-CD2 3.47Å; N33-F36 PolarHBondContact O-N 2.99Å; N34-F36 VanDerWaalsContact C-N 3.29Å; N34-F36 PolarHBondContact O-N 2.95Å
37G57.6Low63.6Low59 Ų59129.2 Ų129.261%0.60868%0.675SS**Hα-helixtrans-84-30.7-174.900000115.3N33 G39N33-G37 PolarHBondContact O-N 3.21Å; G37-G39 VanDerWaalsContact C-N 3.31Å; G37-G39 PolarHBondContact O-N 3.45Å
38A58.4Low64Low85 Ų85127 Ų12770%0.70267%0.673SS**SBendtrans-83.770.8-17600000112.1N34N34-A38 WeakPolarHBondContact O-CB 3.27Å; N34-A38 PolarHBondContact O-N 3Å
39G56.4Low64.8Low43 Ų43126.2 Ų126.244%0.44368%0.676SS.*  trans105.995.6166.100000113.7G37 N41 K42G37-G39 VanDerWaalsContact C-N 3.31Å; G37-G39 PolarHBondContact O-N 3.45Å; G39-N41 PolarHBondContact O-N 3.4Å; G39-K42 PolarHBondContact O-N 3.43Å; G39-K42 VanDerWaalsContact O-N 3.09Å
40Q59.3Low65.1Low192 Ų192123.9 Ų123.990%0.89766%0.663SS**THydrogen-bonded Turntrans-55.3-2.9177.3-54.3-152.8-73.800115.6
41N59Low65.4Low154 Ų154119 Ų11982%0.82466%0.656SS**THydrogen-bonded Turntrans-110.3-2.7-178-69.2-52.5000114.6G39G39-N41 PolarHBondContact O-N 3.4Å
42K62.9Low65.7Low184 Ų184125.3 Ų125.380%0.867%0.672SS**  trans-108.479.9174-61.9-61.5-172.71800108.6G39G39-K42 PolarHBondContact O-N 3.43Å; G39-K42 VanDerWaalsContact O-N 3.09Å
43R70.3Confident66.2Low227 Ų227126.6 Ų126.686%0.85768%0.684SS**PPolyproline II helixtrans-47.3131.9169.2-68.6-179.1-178.9-178.3-0.8108.2
44P69Low66.8Low62 Ų62130 Ų13040%0.40369%0.693SS.*PPolyproline II helixtrans-49.5134.9175.3-28.534.8000110.1F35 K46F35-P44 HydrophobicContact CE1-CB 3.76Å; F35-P44 HydrophobicContact CE1-CG 3.66Å; F35-P44 HydrophobicContact CZ-CB 3.9Å; F35-P44 HydrophobicContact CZ-CG 4.23Å; P44-K46 PolarHBondContact O-N 3.1Å
45P71.4Confident67.6Low81 Ų81135.2 Ų135.253%0.52670%0.704SS.*PPolyproline II helixtrans-58.9127.4179.324.1-32000108.5Q49 I50P45-Q49 VanDerWaalsContact CA-OE1 3.29Å; P45-Q49 HydrophobicContact CB-CB 4.26Å; P45-I50 HydrophobicContact CB-CG2 4.5Å
46K73.7Confident68.7Low163 Ų163134.7 Ų134.771%0.70971%0.711SS**PPolyproline II helixtrans-60.4152.1174.2-67.5-177.6176.3-178.70108.5P44 G48 Q49 I50P44-K46 PolarHBondContact O-N 3.1Å; K46-G48 PolarHBondContact O-N 2.89Å; K46-Q49 HydrophobicContact CB-CG 4.33Å; K46-Q49 WeakPolarHBondContact O-CA 3.4Å; K46-Q49 WeakPolarHBondContact O-CB 2.97Å; K46-Q49 PolarHBondContact O-N 3.02Å; K46-I50 PolarHBondContact O-N 3.45Å
47L70.2Confident69.8Low153 Ų153133.3 Ų133.380%0.80172%0.715SS**THydrogen-bonded Turntrans-53.2-27.6174.9-71.5172.6000112.9Q49 I50L47-Q49 VanDerWaalsContact C-N 3.33Å; L47-I50 HydrophobicContact CD2-CD1 4.11Å; L47-I50 WeakPolarHBondContact O-CG1 3.22Å
48G73.6Confident71.1Confident79 Ų79135.1 Ų135.181%0.81471%0.709SS**THydrogen-bonded Turntrans-76.4-11173.400000115.8K46K46-G48 PolarHBondContact O-N 2.89Å
49Q76.7Confident72.5Confident135 Ų135139.8 Ų139.863%0.63172%0.717SS**THydrogen-bonded Turntrans-95.1-20.1177.5-67.8179.4-49.700112.8P45 K46 L47 G51P45-Q49 VanDerWaalsContact CA-OE1 3.29Å; P45-Q49 HydrophobicContact CB-CB 4.26Å; K46-Q49 HydrophobicContact CB-CG 4.33Å; K46-Q49 WeakPolarHBondContact O-CA 3.4Å; K46-Q49 WeakPolarHBondContact O-CB 2.97Å; K46-Q49 PolarHBondContact O-N 3.02Å; L47-Q49 VanDerWaalsContact C-N 3.33Å; Q49-G51 PolarHBondContact O-N 3.43Å
50I70Confident74.2Confident101 Ų101140.7 Ų140.752%0.51871%0.712SS.*SBendtrans-73.8110.6167.760.2167.9000106.9P45 K46 L47P45-I50 HydrophobicContact CB-CG2 4.5Å; K46-I50 PolarHBondContact O-N 3.45Å; L47-I50 HydrophobicContact CD2-CD1 4.11Å; L47-I50 WeakPolarHBondContact O-CG1 3.22Å
51G71.3Confident75.6Confident59 Ų59138.6 Ų138.661%0.60871%0.707SS**  trans-55.5146.4-178.500000111.7Q49 S53Q49-G51 PolarHBondContact O-N 3.43Å; G51-S53 PolarHBondContact O-N 3.09Å
52R72Confident77.1Confident248 Ų248139.6 Ų139.694%0.93670%0.699SS**THydrogen-bonded Turntrans-73.820.1175.8-65.9179.168.1153.40.8113.5K54R52-K54 VanDerWaalsContact C-N 3.31Å; R52-K54 PolarHBondContact O-N 2.76Å
53S72.7Confident78.4Confident105 Ų105132.8 Ų132.873%0.73467%0.671SS**THydrogen-bonded Turntrans-75.4-16.6-168.355.20000114.1G51 R55G51-S53 PolarHBondContact O-N 3.09Å; S53-R55 PolarHBondContact O-N 2.99Å
54K75.3Confident79.1Confident194 Ų194127.2 Ų127.284%0.84366%0.658SS**  trans-78.388.1175.6-63.5-171.9-177.8-176.70109.6R52R52-K54 VanDerWaalsContact C-N 3.31Å; R52-K54 PolarHBondContact O-N 2.76Å
55R77.7Confident80.1Confident230 Ų230129.6 Ų129.687%0.86867%0.667SS**PPolyproline II helixtrans-79.9123.1164.7-63.1-174.6-177.7-160.10.7107.6S53S53-R55 PolarHBondContact O-N 2.99Å
56V82.5Confident80.9Confident122 Ų122129 Ų12974%0.73966%0.662SS**PPolyproline II helixtrans-81.6123.5168.5-176.40000106.4I58V56-I58 HydrophobicContact CG1-CG1 4.21Å
57V85.2Confident81.5Confident123 Ų123125.2 Ų125.275%0.74565%0.649SS**PPolyproline II helixtrans-81.3126.1167.8-179.70000106.4E59V57-E59 HydrophobicContact CG1-CG 4.28Å
58I86.2Confident82.3Confident97 Ų97124.6 Ų124.650%0.49764%0.64SS.*  trans-111.6120175.5-57.5173.4000106.1V56 D60 I63V56-I58 HydrophobicContact CG1-CG1 4.21Å; I58-D60 VanDerWaalsContact C-N 3.33Å; I58-D60 HydrophobicContact CG2-CB 4.18Å; I58-I63 HydrophobicContact CB-CG2 4.44Å; I58-I63 HydrophobicContact CD1-CG1 4.22Å; I58-I63 HydrophobicContact CG2-CB 4.2Å; I58-I63 HydrophobicContact CG2-CG1 4.09Å; I58-I63 HydrophobicContact CG2-CG2 4.17Å
59E87.3Confident82.7Confident183 Ų183126.5 Ų126.586%0.85563%0.631SS**  trans-95.622.5-176.2-58.1176.4150.700112.3V57V57-E59 HydrophobicContact CG1-CG 4.28Å
60D91.2Very high82.9Confident63 Ų63126.3 Ų126.334%0.33763%0.632SS.*  trans-94.4109.7174.2-172.7-21.6000108.8I58 R62 I63I58-D60 VanDerWaalsContact C-N 3.33Å; I58-D60 HydrophobicContact CG2-CB 4.18Å; D60-R62 PolarHBondContact O-N 3.36Å; D60-R62 WeakPolarHBondContact OD1-CB 3.1Å; D60-R62 IonicContact OD1-CZ 3.84Å; D60-R62 PolarHBondContact OD1-N 3.22Å; D60-R62 IonicContact OD1-NE 3.05Å; D60-R62 PolarHBondContact OD1-NE 3.42Å; D60-R62 IonicContact OD1-NH2 3.71Å; D60-R62 IonicContact OD2-CZ 3.62Å; D60-R62 IonicContact OD2-NE 3.55Å; D60-R62 IonicContact OD2-NH2 2.82Å; D60-R62 PolarHBondContact OD2-NH2 2.87Å; D60-I63 HydrophobicContact CB-CB 4.46Å; D60-I63 VanDerWaalsContact O-CB 3.22Å; D60-I63 WeakPolarHBondContact O-CB 3.37Å; D60-I63 WeakPolarHBondContact O-CG2 3.41Å; D60-I63 PolarHBondContact O-N 3.01Å
61D88.6Confident83Confident148 Ų148126.2 Ų126.279%0.79164%0.637SS**THydrogen-bonded Turntrans-57.2-23-178.7-61.2-33000113.5I63D61-I63 VanDerWaalsContact C-N 3.26Å; D61-I63 PolarHBondContact O-N 3.43Å
62R91.3Very high82.9Confident174 Ų174129.6 Ų129.666%0.65764%0.64SS**THydrogen-bonded Turntrans-78.2-11.7177.8-56.3170.8-62170.26.8112.6D60 D64D60-R62 PolarHBondContact O-N 3.36Å; D60-R62 WeakPolarHBondContact OD1-CB 3.1Å; D60-R62 IonicContact OD1-CZ 3.84Å; D60-R62 PolarHBondContact OD1-N 3.22Å; D60-R62 IonicContact OD1-NE 3.05Å; D60-R62 PolarHBondContact OD1-NE 3.42Å; D60-R62 IonicContact OD1-NH2 3.71Å; D60-R62 IonicContact OD2-CZ 3.62Å; D60-R62 IonicContact OD2-NE 3.55Å; D60-R62 IonicContact OD2-NH2 2.82Å; D60-R62 PolarHBondContact OD2-NH2 2.87Å; R62-D64 VanDerWaalsContact C-N 3.29Å; R62-D64 PolarHBondContact O-N 3.35Å
63I89.6Confident82.6Confident42 Ų42126.5 Ų126.522%0.21563%0.634CS.*Hα-helixtrans-67.3-32.2-175.9-162.159.5000112I58 D60 D61 D65 V66 L67I58-I63 HydrophobicContact CB-CG2 4.44Å; I58-I63 HydrophobicContact CD1-CG1 4.22Å; I58-I63 HydrophobicContact CG2-CB 4.2Å; I58-I63 HydrophobicContact CG2-CG1 4.09Å; I58-I63 HydrophobicContact CG2-CG2 4.17Å; D60-I63 HydrophobicContact CB-CB 4.46Å; D60-I63 VanDerWaalsContact O-CB 3.22Å; D60-I63 WeakPolarHBondContact O-CB 3.37Å; D60-I63 WeakPolarHBondContact O-CG2 3.41Å; D60-I63 PolarHBondContact O-N 3.01Å; D61-I63 VanDerWaalsContact C-N 3.26Å; D61-I63 PolarHBondContact O-N 3.43Å; I63-D65 VanDerWaalsContact C-N 3.34Å; I63-D65 PolarHBondContact O-N 3.47Å; I63-V66 PolarHBondContact O-N 3.05Å; I63-L67 HydrophobicContact CG1-CD1 3.78Å; I63-L67 HydrophobicContact CG1-CG 4.12Å; I63-L67 HydrophobicContact CG2-CD1 4.33Å; I63-L67 WeakPolarHBondContact O-CB 3.39Å; I63-L67 WeakPolarHBondContact O-CG 3.47Å; I63-L67 PolarHBondContact O-N 3Å
64D86.6Confident82.2Confident110 Ų110125 Ų12559%0.58863%0.628SS**Hα-helixtrans-62.8-41.6-177.8-74.9-25.1000111.6R62 V66 L67 K68R62-D64 VanDerWaalsContact C-N 3.29Å; R62-D64 PolarHBondContact O-N 3.35Å; D64-V66 VanDerWaalsContact C-N 3.34Å; D64-V66 PolarHBondContact O-N 2.92Å; D64-L67 PolarHBondContact O-N 3.2Å; D64-K68 VanDerWaalsContact O-CB 3.28Å; D64-K68 WeakPolarHBondContact O-CB 3.28Å; D64-K68 PolarHBondContact O-N 3.43Å
65D89.4Confident81.8Confident111 Ų111120.8 Ų120.859%0.59462%0.62SS**Hα-helixtrans-64.2-40176.7-69.7-30.5000111.7I63 N69I63-D65 VanDerWaalsContact C-N 3.34Å; I63-D65 PolarHBondContact O-N 3.47Å; D65-N69 VanDerWaalsContact O-CG 3.27Å; D65-N69 PolarHBondContact O-N 3.2Å; D65-N69 PolarHBondContact O-ND2 3.33Å
66V88.2Confident81.2Confident70 Ų70116 Ų11642%0.42462%0.619SS.*Hα-helixtrans-68.1-45.2177.9178.30000111I63 D64 N69 M70I63-V66 PolarHBondContact O-N 3.05Å; D64-V66 VanDerWaalsContact C-N 3.34Å; D64-V66 PolarHBondContact O-N 2.92Å; V66-N69 PolarHBondContact O-N 3.49Å; V66-M70 HydrophobicContact CG1-CE 3.88Å; V66-M70 PolarHBondContact O-N 2.76Å
67L85.4Confident80.5Confident83 Ų83113.4 Ų113.444%0.43562%0.617SS.*Hα-helixtrans-65.4-38179.6-77.6167.2000112.4I63 D64 M70 T71I63-L67 HydrophobicContact CG1-CD1 3.78Å; I63-L67 HydrophobicContact CG1-CG 4.12Å; I63-L67 HydrophobicContact CG2-CD1 4.33Å; I63-L67 WeakPolarHBondContact O-CB 3.39Å; I63-L67 WeakPolarHBondContact O-CG 3.47Å; I63-L67 PolarHBondContact O-N 3Å; D64-L67 PolarHBondContact O-N 3.2Å; L67-M70 PolarHBondContact O-N 3.07Å; L67-T71 PolarHBondContact O-N 3.21Å; L67-T71 VanDerWaalsContact O-N 3.1Å; L67-T71 PolarHBondContact O-OG1 3.16Å
68K86.8Confident78.7Confident139 Ų139118.2 Ų118.260%0.60465%0.646SS**Hα-helixtrans-60.4-48.2176.7-173.4173.4-178.9-179.30111.3D64 M70 T71 D72D64-K68 VanDerWaalsContact O-CB 3.28Å; D64-K68 WeakPolarHBondContact O-CB 3.28Å; D64-K68 PolarHBondContact O-N 3.43Å; K68-M70 PolarHBondContact O-N 3.1Å; K68-M70 VanDerWaalsContact O-N 3.16Å; K68-T71 PolarHBondContact O-N 3.44Å; K68-D72 PolarHBondContact O-N 2.99Å
69N83.8Confident78.3Confident119 Ų119119.3 Ų119.364%0.63665%0.654SS**Hα-helixtrans-61.5-24.9178-67.2-29.1000113.4D65 V66D65-N69 VanDerWaalsContact O-CG 3.27Å; D65-N69 PolarHBondContact O-N 3.2Å; D65-N69 PolarHBondContact O-ND2 3.33Å; V66-N69 PolarHBondContact O-N 3.49Å
70M79.5Confident77.8Confident131 Ų131115.9 Ų115.965%0.64564%0.643SS**Hα-helixtrans-82.5-31.5175.2-67.2-177.1-176.700113.3V66 L67 K68 K73V66-M70 HydrophobicContact CG1-CE 3.88Å; V66-M70 PolarHBondContact O-N 2.76Å; L67-M70 PolarHBondContact O-N 3.07Å; K68-M70 PolarHBondContact O-N 3.1Å; K68-M70 VanDerWaalsContact O-N 3.16Å; M70-K73 PolarHBondContact O-N 3.16Å
71T72.3Confident77.1Confident100 Ų100118.8 Ų118.861%0.61366%0.66SS**Hα-helixtrans-70.6-36.5-176-57.50000112L67 K68 K73 A74L67-T71 PolarHBondContact O-N 3.21Å; L67-T71 VanDerWaalsContact O-N 3.1Å; L67-T71 PolarHBondContact O-OG1 3.16Å; K68-T71 PolarHBondContact O-N 3.44Å; T71-K73 PolarHBondContact O-N 3.07Å; T71-K73 VanDerWaalsContact O-N 3.16Å; T71-A74 PolarHBondContact O-N 3.42Å
72D69.5Low76.4Confident129 Ų129117.1 Ų117.169%0.6965%0.652SS**THydrogen-bonded Turntrans-66.3-18-179.8-65.9-34.6000113K68K68-D72 PolarHBondContact O-N 2.99Å
73K66.3Low75.4Confident183 Ų183113.6 Ų113.680%0.79665%0.652SS**THydrogen-bonded Turntrans-99.132.2173.4-112.1-136.4179.8-1730112.9M70 T71 P75M70-K73 PolarHBondContact O-N 3.16Å; T71-K73 PolarHBondContact O-N 3.07Å; T71-K73 VanDerWaalsContact O-N 3.16Å; K73-P75 WeakPolarHBondContact O-CD 3.33Å; K73-P75 VanDerWaalsContact O-N 3.11Å
74A63.7Low74.5Confident73 Ų73118.3 Ų118.360%0.60368%0.681SS**PPolyproline II helixtrans-54.9118.9161.200000107.9T71T71-A74 PolarHBondContact O-N 3.42Å
75P65.8Low73.6Confident106 Ų106118.9 Ų118.969%0.68869%0.688SS**PPolyproline II helixtrans-58.9139175.123.9-30.8000107.8K73 G77K73-P75 WeakPolarHBondContact O-CD 3.33Å; K73-P75 VanDerWaalsContact O-N 3.11Å; P75-G77 PolarHBondContact O-N 2.96Å
76P65.7Low72.4Confident129 Ų129119.5 Ų119.584%0.83870%0.695SS**PPolyproline II helixtrans-53.6118.5168.622.5-30000106.4
77G68.2Low71.1Confident69 Ų69123.7 Ų123.771%0.71172%0.718SS**PPolyproline II helixtrans-53.4142.6-175.800000110.6P75P75-G77 PolarHBondContact O-N 2.96Å
78V46.3Very low69.8Low223 Ų223127.4 Ų127.4100%1.35274%0.743SS**  trans-39.60158.9-83.30000113

Retrieved 78 of 78 residues in 19.9 ms (Link to these results)