A0A673ZCC7_SALTR Loading...

CCHC-type zinc finger, nucleic acid binding protein a

AlphaFold DB , UniProt , Accession A0A673ZCC7, Species SALTR (Salmo trutta, Brown trout), Gene cnbpa, Length 164 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
1M40.1Very low61.5Low232 Ų232118.7 Ų118.7100%1.14361%0.608SS**  088.10-68.7158.9-174.200105.4
2E49.6Very low62.4Low182 Ų182112.8 Ų112.885%0.8560%0.598SS**  65.2115.490.5-70.4-156.7112.200112.2
3M41.1Very low63.4Low194 Ų194116.2 Ų116.296%0.95660%0.598SS**  trans-158.583.4136-74-146.7172.200108S5M3-S5 PolarHBondContact O-N 2.85Å
4S56.4Low64.3Low111 Ų111113.9 Ų113.978%0.77659%0.594SS**  trans-66.797.7167.3-173.20000107.6S6S4-S6 VanDerWaalsContact C-N 3.31Å; S4-S6 PolarHBondContact O-N 2.99Å; S4-S6 PolarHBondContact O-OG 3.42Å
5S57.8Low65Low78 Ų78111.5 Ų111.555%0.54561%0.608SS.*  trans-62.795.9174.3-164.10000107.7M3 E7M3-S5 PolarHBondContact O-N 2.85Å; S5-E7 PolarHBondContact O-N 2.83Å
6S67.5Low65.8Low59 Ų59106.9 Ų106.941%0.41358%0.581SS.*  trans-76.473.2178.4-63.20000108.3S4 G15S4-S6 VanDerWaalsContact C-N 3.31Å; S4-S6 PolarHBondContact O-N 2.99Å; S4-S6 PolarHBondContact O-OG 3.42Å; S6-G15 PolarHBondContact O-N 3.01Å
7E71.4Confident66.4Low102 Ų102108.4 Ų108.448%0.47758%0.576SS.*BIsolated β-bridgetrans-76.1131.7171.7-66.6177.2130.800108.9S5 F9 P14S5-E7 PolarHBondContact O-N 2.83Å; E7-F9 PolarHBondContact O-N 3.48Å; E7-P14 HydrophobicContact CG-CB 4.17Å
8C72Confident66.7Low0 Ų0105.7 Ų105.70%056%0.561CS.*  trans-66.7107.5177.3-1800000109.5R10 C11 G12 R13 H16C8-R10 PolarHBondContact O-N 3.39Å; C8-C11 PolarHBondContact O-N 3.3Å; C8-C11 VanDerWaalsContact O-N 3.09Å; C8-C11 VanDerWaalsContact SG-SG 3.67Å; C8-G12 WeakPolarHBondContact O-CA 3.43Å; C8-G12 PolarHBondContact O-N 2.93Å; C8-R13 WeakPolarHBondContact CB-O 3.43Å; C8-R13 PolarHBondContact N-O 2.8Å; C8-H16 WeakPolarHBondContact CA-O 3.34Å; C8-H16 VanDerWaalsContact CB-CD2 3.43Å; C8-H16 WeakPolarHBondContact CB-CD2 3.18Å; C8-H16 WeakPolarHBondContact CB-NE2 3.39Å; C8-H16 WeakPolarHBondContact CB-O 3.4Å; C8-H16 PolarHBondContact N-O 2.74Å; C8-H16 PolarHBondContact SG-CD2 3.09Å; C8-H16 PolarHBondContact SG-NE2 3.13Å
9F72.1Confident66.7Low157 Ų157109.2 Ų109.269%0.68957%0.571SS**THydrogen-bonded Turntrans-58.1-3.1176.6-61.8-84.5000115.5E7 W17 I18E7-F9 PolarHBondContact O-N 3.48Å; F9-W17 HydrophobicContact CD2-CH2 4.22Å; F9-W17 HydrophobicContact CD2-CZ3 4.27Å; F9-W17 HydrophobicContact CE2-CE3 4.38Å; F9-W17 AromaticContact CE2-CH2 3.63Å; F9-W17 HydrophobicContact CE2-CH2 3.63Å; F9-W17 HydrophobicContact CE2-CZ2 4.41Å; F9-W17 AromaticContact CE2-CZ3 3.62Å; F9-W17 HydrophobicContact CE2-CZ3 3.62Å; F9-I18 HydrophobicContact CB-CD1 3.44Å; F9-I18 VanDerWaalsContact CB-CD1 3.44Å; F9-I18 HydrophobicContact CB-CG1 3.81Å; F9-I18 HydrophobicContact CD2-CD1 4.47Å; F9-I18 HydrophobicContact CG-CD1 4.38Å
10R69.3Low66.6Low152 Ų152110 Ų11057%0.57458%0.576SS**THydrogen-bonded Turntrans-95.7-41.1173.2-179.5179.3-66.8-159.5-0.1113.2C8 I18C8-R10 PolarHBondContact O-N 3.39Å; R10-I18 HydrophobicContact CB-CG1 3.96Å
11C79.3Confident66.9Low39 Ų39105 Ų10526%0.26455%0.551SS.*THydrogen-bonded Turntrans-1230.5-17569.50000114.1C8 R13 H16C8-C11 PolarHBondContact O-N 3.3Å; C8-C11 VanDerWaalsContact O-N 3.09Å; C8-C11 VanDerWaalsContact SG-SG 3.67Å; C11-R13 PolarHBondContact O-N 3.27Å; C11-R13 VanDerWaalsContact O-N 3.13Å; C11-H16 VanDerWaalsContact SG-CE1 3.54Å; C11-H16 PolarHBondContact SG-NE2 3.25Å
12G72.8Confident68.4Low48 Ų4899.4 Ų99.450%0.49553%0.531SS..  trans71-1.6178.700000115.2C8C8-G12 WeakPolarHBondContact O-CA 3.43Å; C8-G12 PolarHBondContact O-N 2.93Å
13R74.6Confident69.1Low157 Ų15796.6 Ų96.659%0.59252%0.518SS*.  trans-84.3134.7-178.4-65.5-174.8-177.6-163.63.2111.6C8 C11C8-R13 WeakPolarHBondContact CB-O 3.43Å; C8-R13 PolarHBondContact N-O 2.8Å; C11-R13 PolarHBondContact O-N 3.27Å; C11-R13 VanDerWaalsContact O-N 3.13Å
14P75.9Confident69.9Low84 Ų8489.4 Ų89.455%0.54549%0.489SS..BIsolated β-bridgetrans-71.2160174.329.6-34.1000111.7E7E7-P14 HydrophobicContact CG-CB 4.17Å
15G74.6Confident69.6Low78 Ų7887.7 Ų87.780%0.80449%0.489SS*.THydrogen-bonded Turntrans95.63.2173.800000115.4S6S6-G15 PolarHBondContact O-N 3.01Å
16H78.9Confident69.1Low37 Ų3787.4 Ų87.417%0.17150%0.499CS..SBendtrans-155154.4169.863.6-83.9000112.2C8 C11 C21C8-H16 WeakPolarHBondContact CA-O 3.34Å; C8-H16 VanDerWaalsContact CB-CD2 3.43Å; C8-H16 WeakPolarHBondContact CB-CD2 3.18Å; C8-H16 WeakPolarHBondContact CB-NE2 3.39Å; C8-H16 WeakPolarHBondContact CB-O 3.4Å; C8-H16 PolarHBondContact N-O 2.74Å; C8-H16 PolarHBondContact SG-CD2 3.09Å; C8-H16 PolarHBondContact SG-NE2 3.13Å; C11-H16 VanDerWaalsContact SG-CE1 3.54Å; C11-H16 PolarHBondContact SG-NE2 3.25Å; H16-C21 VanDerWaalsContact CD2-CA 3.43Å; H16-C21 WeakPolarHBondContact CD2-CA 3.37Å
17W74.9Confident68Low133 Ų13396.7 Ų96.750%0.50453%0.525SS..  trans-89.7159.3174.7-174.4-99.8000111.4F9 K19 N20F9-W17 HydrophobicContact CD2-CH2 4.22Å; F9-W17 HydrophobicContact CD2-CZ3 4.27Å; F9-W17 HydrophobicContact CE2-CE3 4.38Å; F9-W17 AromaticContact CE2-CH2 3.63Å; F9-W17 HydrophobicContact CE2-CH2 3.63Å; F9-W17 HydrophobicContact CE2-CZ2 4.41Å; F9-W17 AromaticContact CE2-CZ3 3.62Å; F9-W17 HydrophobicContact CE2-CZ3 3.62Å; W17-K19 PolarHBondContact O-N 2.86Å; W17-N20 PolarHBondContact O-N 2.85Å
18I71.9Confident66.6Low59 Ų5995.5 Ų95.530%0.30354%0.54SS..G310 helixtrans-39.4-36.4177-99.4-178.4000114.6F9 R10 N20F9-I18 HydrophobicContact CB-CD1 3.44Å; F9-I18 VanDerWaalsContact CB-CD1 3.44Å; F9-I18 HydrophobicContact CB-CG1 3.81Å; F9-I18 HydrophobicContact CD2-CD1 4.47Å; F9-I18 HydrophobicContact CG-CD1 4.38Å; R10-I18 HydrophobicContact CB-CG1 3.96Å; I18-N20 VanDerWaalsContact C-N 3.35Å
19K67.8Low65.4Low173 Ų173107.1 Ų107.175%0.75258%0.584SS**G310 helixtrans-74.3-24.1-175.1-70.8-176.9176.1179.60113.4W17W17-K19 PolarHBondContact O-N 2.86Å
20N63.6Low63.9Low124 Ų124103 Ų10366%0.66359%0.586SS**G310 helixtrans-116.423.1-174.8-60.9-42.7000111.8W17 I18 P22W17-N20 PolarHBondContact O-N 2.85Å; I18-N20 VanDerWaalsContact C-N 3.35Å; N20-P22 WeakPolarHBondContact O-CD 3.36Å
21C74.2Confident62.6Low7 Ų7107.3 Ų107.35%0.04760%0.602CS.*  trans-66.3117.7178.7-171.70000110.2H16 E23 A24H16-C21 VanDerWaalsContact CD2-CA 3.43Å; H16-C21 WeakPolarHBondContact CD2-CA 3.37Å; C21-E23 PolarHBondContact O-N 3.5Å; C21-A24 HydrophobicContact CB-CB 4.26Å; C21-A24 WeakPolarHBondContact O-CB 3.14Å; C21-A24 PolarHBondContact O-N 3.23Å
22P70.3Confident60.9Low114 Ų114109.1 Ų109.174%0.7463%0.627SS**THydrogen-bonded Turntrans-65.8-22.3-178.626.6-33.4000112.2N20 A24N20-P22 WeakPolarHBondContact O-CD 3.36Å; P22-A24 VanDerWaalsContact C-N 3.28Å; P22-A24 PolarHBondContact O-N 2.8Å
23E64.7Low59.7Low122 Ų122116.9 Ų116.957%0.5764%0.642SS**THydrogen-bonded Turntrans-85.66.1173.8-60.1-174.2106.700113C21 G25C21-E23 PolarHBondContact O-N 3.5Å; E23-G25 PolarHBondContact O-N 2.94Å
24A57.8Low58.2Low43 Ų43111.4 Ų111.436%0.35563%0.634SS.*  trans-72.369169.800000110.6C21 P22 G26C21-A24 HydrophobicContact CB-CB 4.26Å; C21-A24 WeakPolarHBondContact O-CB 3.14Å; C21-A24 PolarHBondContact O-N 3.23Å; P22-A24 VanDerWaalsContact C-N 3.28Å; P22-A24 PolarHBondContact O-N 2.8Å; A24-G26 PolarHBondContact O-N 2.78Å
25G50.7Low57.2Low75 Ų75117.3 Ų117.377%0.77365%0.645SS**  trans-59.7123.5165.200000110E23E23-G25 PolarHBondContact O-N 2.94Å
26G47.6Very low55.7Low72 Ų72116 Ų11674%0.74263%0.632SS**  trans107.794.6167.600000115A24 G28A24-G26 PolarHBondContact O-N 2.78Å; G26-G28 PolarHBondContact O-N 3.24Å
27R44.7Very low54.3Low254 Ų254123.8 Ų123.896%0.95867%0.665SS**  trans-67.784.7156.6-66.5-175.9-172.4-162.43.2108.6R29R27-R29 PolarHBondContact O-N 3.5Å
28G40.2Very low53Low77 Ų77123.9 Ų123.979%0.79468%0.676SS**  trans-6698.5166.100000109.5G26 G30G26-G28 PolarHBondContact O-N 3.24Å; G28-G30 PolarHBondContact O-N 3.33Å
29R47.2Very low52.5Low244 Ų244122.8 Ų122.892%0.92167%0.67SS**  trans-66.5122.2170.7-69.6-174.2179.6-154.62.4108.9R27R27-R29 PolarHBondContact O-N 3.5Å
30G41.1Very low52.3Low72 Ų72120 Ų12074%0.74266%0.658SS**  trans64.9104.515200000117.4G28 G32G28-G30 PolarHBondContact O-N 3.33Å; G30-G32 VanDerWaalsContact C-N 3.27Å; G30-G32 PolarHBondContact O-N 2.92Å
31R42.2Very low52.7Low242 Ų242114.1 Ų114.191%0.91363%0.627SS**  trans-70.185.8158-71.5-179.6174.1-175.4-2.9109.2R33R31-R33 PolarHBondContact O-N 3.01Å
32G42.4Very low52.5Low76 Ų76120.6 Ų120.678%0.78465%0.651SS**  trans-70.1101.4168.600000110.2G30 G34G30-G32 VanDerWaalsContact C-N 3.27Å; G30-G32 PolarHBondContact O-N 2.92Å; G32-G34 PolarHBondContact O-N 3.26Å
33R47.5Very low52.6Low211 Ų211118.7 Ų118.780%0.79663%0.629SS**  trans-92.388.6168.2-77-176.7172.6-178.3-2.3108.6R31R31-R33 PolarHBondContact O-N 3.01Å
34G44.4Very low53Low42 Ų42113.3 Ų113.343%0.43361%0.605SS.*  trans-117.2103.2166.300000109.1G32G32-G34 PolarHBondContact O-N 3.26Å
35R54.8Low53.5Low209 Ų209112.4 Ų112.479%0.78960%0.6SS**  trans-85.2121.7170.7-88.1-176.8173.5-174.5-7.4108.4
36G43.8Very low54.6Low50 Ų50114.1 Ų114.152%0.51559%0.588SS.*SBendtrans81.9121.3149.300000116.7D38G36-D38 PolarHBondContact O-N 2.84Å
37K48.2Very low55.6Low200 Ų200117.4 Ų117.487%0.8758%0.584SS**SBendtrans58.8-22.7147.7-57-173.5180-1720120.2
38D47.4Very low56.9Low136 Ų136108.6 Ų108.673%0.72757%0.572SS**  trans-112.922.2174.9-55.2-74.8000111.7G36 F40G36-D38 PolarHBondContact O-N 2.84Å; D38-F40 PolarHBondContact O-N 3.39Å
39L61.6Low58.8Low35 Ų35107 Ų10718%0.18354%0.544CS..  trans-83.8111-178.9-15781.6000109.9G48 I50L39-G48 PolarHBondContact O-N 3.44Å; L39-I50 HydrophobicContact CD2-CB 3.86Å; L39-I50 HydrophobicContact CD2-CG2 3.17Å
40F64.4Low60Low114 Ų11498.4 Ų98.450%0.552%0.515SS..BIsolated β-bridgetrans-72.1127.5163.4-61.5-85.6000108.9D38 Y42 Q47D38-F40 PolarHBondContact O-N 3.39Å; F40-Y42 PolarHBondContact O-N 3.47Å; F40-Q47 HydrophobicContact CD1-CB 3.95Å; F40-Q47 HydrophobicContact CE1-CB 3.9Å
41C72.4Confident61.3Low1 Ų196.4 Ų96.41%0.00749%0.492CS..  trans-62.9117.3173.41760000109R43 C44 G45 E46 H49 A51 C54C41-R43 PolarHBondContact O-N 3.4Å; C41-R43 VanDerWaalsContact O-N 3.15Å; C41-R43 PolarHBondContact SG-N 2.96Å; C41-R43 VanDerWaalsContact SG-N 3.42Å; C41-C44 VanDerWaalsContact CB-SG 3.55Å; C41-C44 PolarHBondContact O-N 2.85Å; C41-G45 WeakPolarHBondContact O-CA 3.45Å; C41-G45 PolarHBondContact O-N 3.35Å; C41-E46 VanDerWaalsContact CB-O 3.28Å; C41-E46 WeakPolarHBondContact CB-O 3.47Å; C41-E46 PolarHBondContact N-O 3.47Å; C41-H49 VanDerWaalsContact CB-NE2 3.31Å; C41-H49 WeakPolarHBondContact CB-NE2 3.27Å; C41-H49 WeakPolarHBondContact CB-O 3.45Å; C41-H49 PolarHBondContact SG-NE2 3.48Å; C41-A51 VanDerWaalsContact SG-CA 3.57Å; C41-C54 VanDerWaalsContact SG-CB 3.59Å
42Y69.4Low62.8Low144 Ų14494.2 Ų94.257%0.56548%0.483SS*.THydrogen-bonded Turntrans-68.1-12.7178.7-64.7-75000113.5F40 Y62F40-Y42 PolarHBondContact O-N 3.47Å; Y42-Y62 WeakPolarHBondContact CB-OH 2.99Å; Y42-Y62 AromaticContact CD1-CE1 3.82Å; Y42-Y62 HydrophobicContact CD1-CE1 3.82Å; Y42-Y62 HydrophobicContact CG-CE1 4.34Å; Y42-Y62 WeakPolarHBondContact O-CE1 3.35Å; Y42-Y62 PolarHBondContact O-OH 2.93Å
43R71.5Confident64.3Low73 Ų7395.3 Ų95.328%0.27547%0.471SS..THydrogen-bonded Turntrans-84.3-47.6175.8-172.8176.7-66157.72.1112.1C41 A51 C54 Q56 A60C41-R43 PolarHBondContact O-N 3.4Å; C41-R43 VanDerWaalsContact O-N 3.15Å; C41-R43 PolarHBondContact SG-N 2.96Å; C41-R43 VanDerWaalsContact SG-N 3.42Å; R43-A51 HydrophobicContact CB-CB 4.1Å; R43-A51 PolarHBondContact NH1-O 3.24Å; R43-A51 VanDerWaalsContact NH1-O 3.13Å; R43-A51 PolarHBondContact NH2-O 3.16Å; R43-C54 HydrophobicContact CB-CB 4.45Å; R43-Q56 WeakPolarHBondContact CD-O 3.44Å; R43-A60 WeakPolarHBondContact O-CA 3.49Å; R43-A60 VanDerWaalsContact O-CB 3.23Å; R43-A60 WeakPolarHBondContact O-CB 3.4Å; R43-A60 PolarHBondContact O-N 3.32Å
44C72.8Confident65.7Low9 Ų985.9 Ų85.96%0.06144%0.438CS..THydrogen-bonded Turntrans-110.6-11.7-176.666.70000115.3C41 E46 H49 Q56C41-C44 VanDerWaalsContact CB-SG 3.55Å; C41-C44 PolarHBondContact O-N 2.85Å; C44-E46 VanDerWaalsContact C-N 3.27Å; C44-E46 PolarHBondContact O-N 3.11Å; C44-E46 PolarHBondContact SG-N 3.46Å; C44-E46 VanDerWaalsContact SG-N 3.42Å; C44-H49 PolarHBondContact SG-CE1 3.46Å; C44-H49 PolarHBondContact SG-NE2 2.96Å; C44-Q56 HydrophobicContact CB-CB 4.26Å; C44-Q56 HydrophobicContact CB-CG 4.2Å
45G69Low67.4Low24 Ų2493.3 Ų93.325%0.24746%0.461CS..  trans80.5-3.7-175.700000115C41C41-G45 WeakPolarHBondContact O-CA 3.45Å; C41-G45 PolarHBondContact O-N 3.35Å
46E73.1Confident68.1Low112 Ų11287.1 Ų87.152%0.52344%0.441SS..  trans-80.6147.8179.3-63-170.59400112.6C41 C44 Q56C41-E46 VanDerWaalsContact CB-O 3.28Å; C41-E46 WeakPolarHBondContact CB-O 3.47Å; C41-E46 PolarHBondContact N-O 3.47Å; C44-E46 VanDerWaalsContact C-N 3.27Å; C44-E46 PolarHBondContact O-N 3.11Å; C44-E46 PolarHBondContact SG-N 3.46Å; C44-E46 VanDerWaalsContact SG-N 3.42Å; E46-Q56 PolarHBondContact OE2-NE2 3.35Å
47Q69.6Low69.4Low141 Ų14190.2 Ų90.266%0.65945%0.45SS*.BIsolated β-bridgetrans-82.4155.5176.865.9-175.223.500112F40F40-Q47 HydrophobicContact CD1-CB 3.95Å; F40-Q47 HydrophobicContact CE1-CB 3.9Å
48G72.7Confident70.4Confident68 Ų6885.8 Ų85.870%0.70143%0.432SS*.SBendtrans100.2-6170.200000115.2L39L39-G48 PolarHBondContact O-N 3.44Å
49H78.3Confident71.5Confident45 Ų4583.4 Ų83.421%0.20842%0.42CS..SBendtrans-144.3162.4173.266.9-88.5000112C41 C44 C54C41-H49 VanDerWaalsContact CB-NE2 3.31Å; C41-H49 WeakPolarHBondContact CB-NE2 3.27Å; C41-H49 WeakPolarHBondContact CB-O 3.45Å; C41-H49 PolarHBondContact SG-NE2 3.48Å; C44-H49 PolarHBondContact SG-CE1 3.46Å; C44-H49 PolarHBondContact SG-NE2 2.96Å; H49-C54 WeakPolarHBondContact NE2-CB 3.43Å; H49-C54 PolarHBondContact NE2-SG 2.82Å
50I72.6Confident72.3Confident62 Ų6282 Ų8232%0.31841%0.414SS..  trans-96.6158.7176.670.1172.7000109.7L39 R52 D53 C54L39-I50 HydrophobicContact CD2-CB 3.86Å; L39-I50 HydrophobicContact CD2-CG2 3.17Å; I50-R52 HydrophobicContact CD1-CB 3.99Å; I50-R52 HydrophobicContact CG1-CB 4.08Å; I50-R52 PolarHBondContact O-N 3.05Å; I50-D53 WeakPolarHBondContact CD1-OD2 3.25Å; I50-D53 HydrophobicContact CG1-CB 4.25Å; I50-D53 WeakPolarHBondContact CG1-OD2 3.47Å; I50-D53 CarbonylContact O-C 3.58Å; I50-D53 PolarHBondContact O-N 2.91Å; I50-C54 PolarHBondContact O-N 3.3Å
51A70Confident73Confident30 Ų3076.6 Ų76.625%0.24839%0.39CS..THydrogen-bonded Turntrans-55.3-21-178.800000115.2C41 R43C41-A51 VanDerWaalsContact SG-CA 3.57Å; R43-A51 HydrophobicContact CB-CB 4.1Å; R43-A51 PolarHBondContact NH1-O 3.24Å; R43-A51 VanDerWaalsContact NH1-O 3.13Å; R43-A51 PolarHBondContact NH2-O 3.16Å
52R73.3Confident73.1Confident197 Ų19781.4 Ų81.474%0.74341%0.408SS*.THydrogen-bonded Turntrans-76.9-32.6175.3-169.7-178.566.8-1801113.2I50 C54I50-R52 HydrophobicContact CD1-CB 3.99Å; I50-R52 HydrophobicContact CG1-CB 4.08Å; I50-R52 PolarHBondContact O-N 3.05Å; R52-C54 VanDerWaalsContact C-N 3.31Å
53D73.7Confident73.4Confident98 Ų9874.8 Ų74.852%0.52438%0.383SS..SBendtrans-10017.8-178.3-53-39.5000110.6I50I50-D53 WeakPolarHBondContact CD1-OD2 3.25Å; I50-D53 HydrophobicContact CG1-CB 4.25Å; I50-D53 WeakPolarHBondContact CG1-OD2 3.47Å; I50-D53 CarbonylContact O-C 3.58Å; I50-D53 PolarHBondContact O-N 2.91Å
54C76.9Confident73.7Confident14 Ų1472 Ų7210%0.09538%0.375CS..  trans-86.4123.5-179.8-172.30000110.2C41 R43 H49 I50 R52 Q56C41-C54 VanDerWaalsContact SG-CB 3.59Å; R43-C54 HydrophobicContact CB-CB 4.45Å; H49-C54 WeakPolarHBondContact NE2-CB 3.43Å; H49-C54 PolarHBondContact NE2-SG 2.82Å; I50-C54 PolarHBondContact O-N 3.3Å; R52-C54 VanDerWaalsContact C-N 3.31Å; C54-Q56 PolarHBondContact O-N 2.96Å
55E79.3Confident73.8Confident197 Ų19776.8 Ų76.892%0.92140%0.396SS*.SBendtrans-70.6-18.6177.6-61.4179.390.700112.6
56Q70.4Confident74.1Confident79 Ų7981.8 Ų81.837%0.36941%0.407SS..  trans-77.9128.8174.1-61.1-17850.800109.9R43 C44 E46 C54R43-Q56 WeakPolarHBondContact CD-O 3.44Å; C44-Q56 HydrophobicContact CB-CB 4.26Å; C44-Q56 HydrophobicContact CB-CG 4.2Å; E46-Q56 PolarHBondContact OE2-NE2 3.35Å; C54-Q56 PolarHBondContact O-N 2.96Å
57T69.8Low74.3Confident116 Ų11680 Ų8071%0.71241%0.407SS*.  trans-85-25.3177.456.10000112.6
58E69.8Low74.8Confident106 Ų10676.5 Ų76.550%0.49541%0.408SS..SBendtrans-91.8134.5-175.6-62.6-59.2104.400111.5A60E58-A60 PolarHBondContact O-N 3.09Å
59D70.8Confident75.3Confident87 Ų8775.4 Ų75.447%0.46539%0.385SS..PPolyproline II helixtrans-68.3120.6170.5-67.7-60.5000109.7
60A78.2Confident75.3Confident6 Ų677 Ų775%0.0540%0.395CS..PPolyproline II helixtrans-78.3139.5170.600000110R43 E58 Y62R43-A60 WeakPolarHBondContact O-CA 3.49Å; R43-A60 VanDerWaalsContact O-CB 3.23Å; R43-A60 WeakPolarHBondContact O-CB 3.4Å; R43-A60 PolarHBondContact O-N 3.32Å; E58-A60 PolarHBondContact O-N 3.09Å; A60-Y62 PolarHBondContact O-N 3.18Å
61C79.8Confident75.5Confident0 Ų076 Ų760%039%0.393CS..PPolyproline II helixtrans-62.9119.6172.8173.30000110.4N63 C64 H65 R66 H69 C74C61-N63 PolarHBondContact O-N 3.21Å; C61-N63 PolarHBondContact SG-N 3.44Å; C61-N63 VanDerWaalsContact SG-N 3.35Å; C61-C64 PolarHBondContact O-N 3.5Å; C61-C64 VanDerWaalsContact SG-SG 3.69Å; C61-H65 WeakPolarHBondContact O-CA 3.01Å; C61-H65 PolarHBondContact O-N 3.09Å; C61-R66 VanDerWaalsContact CB-O 3.3Å; C61-R66 WeakPolarHBondContact CB-O 3.34Å; C61-R66 PolarHBondContact N-O 3.49Å; C61-H69 WeakPolarHBondContact CA-O 3.36Å; C61-H69 VanDerWaalsContact CB-NE2 3.32Å; C61-H69 WeakPolarHBondContact CB-NE2 3.31Å; C61-H69 WeakPolarHBondContact CB-O 3.48Å; C61-H69 PolarHBondContact N-O 3.5Å; C61-H69 PolarHBondContact SG-NE2 2.8Å; C61-H69 VanDerWaalsContact SG-NE2 3.36Å; C61-C74 VanDerWaalsContact SG-CB 3.54Å
62Y73.5Confident75.9Confident101 Ų10184.6 Ų84.640%0.39642%0.419SS..THydrogen-bonded Turntrans-60.3-8.9176.3-52.6-95.8000115Y42 A60 S71 R81Y42-Y62 WeakPolarHBondContact CB-OH 2.99Å; Y42-Y62 AromaticContact CD1-CE1 3.82Å; Y42-Y62 HydrophobicContact CD1-CE1 3.82Å; Y42-Y62 HydrophobicContact CG-CE1 4.34Å; Y42-Y62 WeakPolarHBondContact O-CE1 3.35Å; Y42-Y62 PolarHBondContact O-OH 2.93Å; A60-Y62 PolarHBondContact O-N 3.18Å; Y62-S71 WeakPolarHBondContact CA-OG 3.29Å; Y62-S71 WeakPolarHBondContact CB-OG 3.47Å; Y62-S71 WeakPolarHBondContact CD2-OG 3.5Å; Y62-S71 PolarHBondContact N-OG 2.95Å; Y62-R81 PolarHBondContact O-NH1 2.78Å
63N75.8Confident76.2Confident6 Ų679.4 Ų79.43%0.03241%0.406CS..THydrogen-bonded Turntrans-90.9-53.3176.2-17243.2000112.6C61 S71 C74 E76 P77 K78 K79C61-N63 PolarHBondContact O-N 3.21Å; C61-N63 PolarHBondContact SG-N 3.44Å; C61-N63 VanDerWaalsContact SG-N 3.35Å; N63-S71 PolarHBondContact N-OG 3.26Å; N63-C74 HydrophobicContact CB-CB 4.32Å; N63-E76 PolarHBondContact ND2-O 3.31Å; N63-P77 PolarHBondContact ND2-O 3.34Å; N63-K78 WeakPolarHBondContact OD1-CA 3.1Å; N63-K79 PolarHBondContact OD1-N 3.34Å
64C78.6Confident76.6Confident15 Ų1575.9 Ų75.910%0.10139%0.389CS..THydrogen-bonded Turntrans-111.1-1.5-173.767.50000114.1C61 R66 H69 C74 E76C61-C64 PolarHBondContact O-N 3.5Å; C61-C64 VanDerWaalsContact SG-SG 3.69Å; C64-R66 PolarHBondContact O-N 3.4Å; C64-R66 VanDerWaalsContact O-N 3.12Å; C64-H69 PolarHBondContact SG-CE1 3.37Å; C64-H69 PolarHBondContact SG-NE2 3Å; C64-C74 VanDerWaalsContact SG-SG 3.6Å; C64-E76 HydrophobicContact CB-CB 4.36Å; C64-E76 HydrophobicContact CB-CG 3.92Å
65H74.4Confident77Confident109 Ų10985.1 Ų85.151%0.50543%0.427SS..  trans57.417.2-177.7-56.285.4000114.5C61C61-H65 WeakPolarHBondContact O-CA 3.01Å; C61-H65 PolarHBondContact O-N 3.09Å
66R76.2Confident76.9Confident129 Ų12979.5 Ų79.549%0.48740%0.401SS..  trans-90.9141.5171.9-61.5-163.5-71.1-95.77.5110.4C61 C64 E76C61-R66 VanDerWaalsContact CB-O 3.3Å; C61-R66 WeakPolarHBondContact CB-O 3.34Å; C61-R66 PolarHBondContact N-O 3.49Å; C64-R66 PolarHBondContact O-N 3.4Å; C64-R66 VanDerWaalsContact O-N 3.12Å; R66-E76 IonicContact CZ-OE2 3.3Å; R66-E76 VanDerWaalsContact CZ-OE2 3.3Å; R66-E76 IonicContact NH1-OE2 2.81Å; R66-E76 PolarHBondContact NH1-OE2 2.8Å; R66-E76 IonicContact NH2-OE1 3.67Å; R66-E76 IonicContact NH2-OE2 2.9Å; R66-E76 PolarHBondContact NH2-OE2 3.23Å
67S76.8Confident77.2Confident74 Ų7480.8 Ų80.852%0.51742%0.416SS..SBendtrans-74.1170.3174.451.50000112.2
68G79.5Confident77.1Confident67 Ų6783.9 Ų83.969%0.69142%0.42SS*.SBendtrans86.7-0.4176.700000115.6
69H83.4Confident76.8Confident46 Ų4685.5 Ų85.521%0.21343%0.425CS..SBendtrans-157.8156.8171.866.6-72.6000111.7C61 C64 D73 C74C61-H69 WeakPolarHBondContact CA-O 3.36Å; C61-H69 VanDerWaalsContact CB-NE2 3.32Å; C61-H69 WeakPolarHBondContact CB-NE2 3.31Å; C61-H69 WeakPolarHBondContact CB-O 3.48Å; C61-H69 PolarHBondContact N-O 3.5Å; C61-H69 PolarHBondContact SG-NE2 2.8Å; C61-H69 VanDerWaalsContact SG-NE2 3.36Å; C64-H69 PolarHBondContact SG-CE1 3.37Å; C64-H69 PolarHBondContact SG-NE2 3Å; H69-D73 HydrophobicContact CB-CB 4.28Å; H69-C74 VanDerWaalsContact CD2-CA 3.42Å; H69-C74 WeakPolarHBondContact CD2-CA 3.33Å; H69-C74 PolarHBondContact NE2-SG 3.07Å
70I79.5Confident76.1Confident79 Ų7990.6 Ų90.641%0.40545%0.446SS..  trans-93.5166.317360.8168.8000110.9R72 D73 C74I70-R72 HydrophobicContact CD1-CB 4.06Å; I70-R72 HydrophobicContact CG1-CB 4.18Å; I70-R72 PolarHBondContact O-N 2.83Å; I70-D73 WeakPolarHBondContact CD1-OD2 3.25Å; I70-D73 WeakPolarHBondContact CG1-OD2 3.48Å; I70-D73 PolarHBondContact O-N 3.47Å; I70-C74 PolarHBondContact O-N 3.35Å
71S76.6Confident75.1Confident41 Ų4197.1 Ų97.129%0.28747%0.469SS..THydrogen-bonded Turntrans-57.5-18.7-178.7-57.30000115.8Y62 N63Y62-S71 WeakPolarHBondContact CA-OG 3.29Å; Y62-S71 WeakPolarHBondContact CB-OG 3.47Å; Y62-S71 WeakPolarHBondContact CD2-OG 3.5Å; Y62-S71 PolarHBondContact N-OG 2.95Å; N63-S71 PolarHBondContact N-OG 3.26Å
72R78.1Confident74Confident210 Ų210104.4 Ų104.479%0.79250%0.504SS*.THydrogen-bonded Turntrans-75.6-31.3175.1-167.5176.867.4162.93.9112.5I70I70-R72 HydrophobicContact CD1-CB 4.06Å; I70-R72 HydrophobicContact CG1-CB 4.18Å; I70-R72 PolarHBondContact O-N 2.83Å
73D79.2Confident73.3Confident88 Ų88106 Ų10647%0.47152%0.515SS..SBendtrans-101.911.3-175.6-56.3-73.7000111.3H69 I70 K75H69-D73 HydrophobicContact CB-CB 4.28Å; I70-D73 WeakPolarHBondContact CD1-OD2 3.25Å; I70-D73 WeakPolarHBondContact CG1-OD2 3.48Å; I70-D73 PolarHBondContact O-N 3.47Å; D73-K75 PolarHBondContact O-N 3.36Å
74C82.4Confident72.8Confident23 Ų23108.6 Ų108.616%0.15553%0.533CS..  trans-77.5119179.3-165.40000110.8C61 N63 C64 H69 I70 E76C61-C74 VanDerWaalsContact SG-CB 3.54Å; N63-C74 HydrophobicContact CB-CB 4.32Å; C64-C74 VanDerWaalsContact SG-SG 3.6Å; H69-C74 VanDerWaalsContact CD2-CA 3.42Å; H69-C74 WeakPolarHBondContact CD2-CA 3.33Å; H69-C74 PolarHBondContact NE2-SG 3.07Å; I70-C74 PolarHBondContact O-N 3.35Å; C74-E76 VanDerWaalsContact C-N 3.31Å
75K85.1Confident72.2Confident209 Ų209108 Ų10891%0.90953%0.529SS*.  trans-79.8-12.6176.4-62.6-176.6180-179.20113.6D73D73-K75 PolarHBondContact O-N 3.36Å
76E77.8Confident71.8Confident79 Ų79111.7 Ų111.737%0.36954%0.539SS..SBendtrans-72.4146.5176-60.5-93.476.900109.7N63 C64 R66 C74 K78N63-E76 PolarHBondContact ND2-O 3.31Å; C64-E76 HydrophobicContact CB-CB 4.36Å; C64-E76 HydrophobicContact CB-CG 3.92Å; R66-E76 IonicContact CZ-OE2 3.3Å; R66-E76 VanDerWaalsContact CZ-OE2 3.3Å; R66-E76 IonicContact NH1-OE2 2.81Å; R66-E76 PolarHBondContact NH1-OE2 2.8Å; R66-E76 IonicContact NH2-OE1 3.67Å; R66-E76 IonicContact NH2-OE2 2.9Å; R66-E76 PolarHBondContact NH2-OE2 3.23Å; C74-E76 VanDerWaalsContact C-N 3.31Å; E76-K78 PolarHBondContact O-N 3.47Å
77P75.2Confident71.1Confident106 Ų106106.7 Ų106.769%0.68852%0.524SS*.  trans-54142.2170.424.6-33.1000109.3N63 K79N63-P77 PolarHBondContact ND2-O 3.34Å; P77-K79 PolarHBondContact O-N 3.21Å
78K68.3Low70.5Confident180 Ų180103.7 Ų103.778%0.78350%0.503SS*.  trans-58.7112.8174.5-71.8178.7-177.6172.10106.8N63 E76 E80N63-K78 WeakPolarHBondContact OD1-CA 3.1Å; E76-K78 PolarHBondContact O-N 3.47Å; K78-E80 PolarHBondContact O-N 2.82Å; K78-E80 VanDerWaalsContact O-N 3.16Å
79K64Low69.7Low141 Ų141102.6 Ų102.661%0.61349%0.491SS*.  trans-57.9126.2168.9-73.7-171.8175.7-174.80105.4N63 P77 R81N63-K79 PolarHBondContact OD1-N 3.34Å; P77-K79 PolarHBondContact O-N 3.21Å; K79-R81 VanDerWaalsContact O-CG 3.27Å; K79-R81 WeakPolarHBondContact O-CG 3.29Å; K79-R81 PolarHBondContact O-N 2.77Å
80E56.3Low68.9Low194 Ų194104.6 Ų104.691%0.90750%0.5SS*.  trans-65.677.2171.3-70-165.791.400107.8K78 E82K78-E80 PolarHBondContact O-N 2.82Å; K78-E80 VanDerWaalsContact O-N 3.16Å; E80-E82 PolarHBondContact O-N 2.85Å; E80-E82 VanDerWaalsContact O-N 3.14Å
81R56.9Low68.4Low142 Ų142103 Ų10354%0.53650%0.498SS..  trans-66.9110.2158-6.7-173.1-111-102.913.4102.7Y62 K79 Q83Y62-R81 PolarHBondContact O-NH1 2.78Å; K79-R81 VanDerWaalsContact O-CG 3.27Å; K79-R81 WeakPolarHBondContact O-CG 3.29Å; K79-R81 PolarHBondContact O-N 2.77Å; R81-Q83 PolarHBondContact O-N 3.28Å
82E56.3Low68.2Low154 Ų154104.6 Ų104.672%0.7252%0.521SS*.  trans-36106.8176-70.9173.281.700108.3E80 C84 A91E80-E82 PolarHBondContact O-N 2.85Å; E80-E82 VanDerWaalsContact O-N 3.14Å; E82-C84 PolarHBondContact O-N 3.17Å; E82-C84 PolarHBondContact O-SG 2.93Å; E82-A91 HydrophobicContact CB-CB 3.83Å; E82-A91 HydrophobicContact CG-CB 4.43Å
83Q60Low68.1Low134 Ų13496.3 Ų96.363%0.62649%0.492SS*.  trans-67.993.7-178.9-77.9-173.2-14.600106.6R81 A91 G92R81-Q83 PolarHBondContact O-N 3.28Å; Q83-A91 WeakPolarHBondContact O-CA 3.07Å; Q83-G92 PolarHBondContact O-N 2.95Å; Q83-G92 VanDerWaalsContact O-N 3.16Å
84C65Low67.7Low61 Ų6194.7 Ų94.741%0.41249%0.485SS..BIsolated β-bridgetrans-75.5126.4174.1-64.40000108.5E82 Y86 K90E82-C84 PolarHBondContact O-N 3.17Å; E82-C84 PolarHBondContact O-SG 2.93Å; C84-Y86 PolarHBondContact O-N 3.5Å; C84-K90 CarbonylContact C-O 3.57Å; C84-K90 WeakPolarHBondContact CA-O 3.45Å
85C66.5Low66.9Low2 Ų295.5 Ų95.51%0.01449%0.493CS..  trans-57.6124.3175.41730000110.4S87 C88 G89 K90 H93 C98C85-S87 PolarHBondContact O-N 3.46Å; C85-S87 VanDerWaalsContact O-N 3.1Å; C85-S87 PolarHBondContact SG-N 3.2Å; C85-S87 VanDerWaalsContact SG-N 3.4Å; C85-C88 VanDerWaalsContact CB-SG 3.55Å; C85-C88 PolarHBondContact O-N 2.95Å; C85-C88 VanDerWaalsContact SG-SG 3.65Å; C85-G89 VanDerWaalsContact O-CA 3.22Å; C85-G89 WeakPolarHBondContact O-CA 3.36Å; C85-G89 PolarHBondContact O-N 2.94Å; C85-K90 WeakPolarHBondContact CB-O 3.23Å; C85-K90 PolarHBondContact N-O 3.5Å; C85-H93 WeakPolarHBondContact CA-O 3.13Å; C85-H93 WeakPolarHBondContact CB-NE2 3.4Å; C85-H93 WeakPolarHBondContact CB-O 3.37Å; C85-H93 PolarHBondContact N-O 3.28Å; C85-H93 PolarHBondContact SG-NE2 3.22Å; C85-H93 VanDerWaalsContact SG-NE2 3.37Å; C85-C98 VanDerWaalsContact SG-CB 3.59Å; C85-C98 PolarHBondContact SG-SG 3.37Å
86Y65.6Low66.2Low187 Ų18796.6 Ų96.673%0.73349%0.491SS*.THydrogen-bonded Turntrans-65.2-14.3179.5-64.3-81.9000114C84 Y107C84-Y86 PolarHBondContact O-N 3.5Å; Y86-Y107 PolarHBondContact O-OH 3.44Å
87S61.7Low65.7Low24 Ų2497.9 Ų97.917%0.16850%0.501CS..THydrogen-bonded Turntrans-89.7-47.4179.4-52.60000112.6C85 A95 K105C85-S87 PolarHBondContact O-N 3.46Å; C85-S87 VanDerWaalsContact O-N 3.1Å; C85-S87 PolarHBondContact SG-N 3.2Å; C85-S87 VanDerWaalsContact SG-N 3.4Å; S87-A95 WeakPolarHBondContact OG-CB 3.39Å; S87-K105 PolarHBondContact O-N 2.87Å
88C63.8Low65.6Low10 Ų1093.7 Ų93.77%0.06847%0.473CS..THydrogen-bonded Turntrans-113.8-11.3-174.173.30000114.5C85 K90 H93 C98 H100C85-C88 VanDerWaalsContact CB-SG 3.55Å; C85-C88 PolarHBondContact O-N 2.95Å; C85-C88 VanDerWaalsContact SG-SG 3.65Å; C88-K90 VanDerWaalsContact C-N 3.28Å; C88-K90 PolarHBondContact O-N 3.36Å; C88-H93 VanDerWaalsContact SG-CE1 3.52Å; C88-H93 PolarHBondContact SG-NE2 2.77Å; C88-C98 VanDerWaalsContact SG-SG 3.64Å; C88-H100 HydrophobicContact CB-CB 4.04Å
89G63.1Low65.7Low44 Ų4492.6 Ų92.645%0.45448%0.476SS..  trans78.3-1.8178.700000115.8C85C85-G89 VanDerWaalsContact O-CA 3.22Å; C85-G89 WeakPolarHBondContact O-CA 3.36Å; C85-G89 PolarHBondContact O-N 2.94Å
90K65.3Low65.6Low89 Ų8989.6 Ų89.639%0.38746%0.464SS..  trans-83.5142.7177.8-64.5175.5179.5160.60111.5C84 C85 C88 E103C84-K90 CarbonylContact C-O 3.57Å; C84-K90 WeakPolarHBondContact CA-O 3.45Å; C85-K90 WeakPolarHBondContact CB-O 3.23Å; C85-K90 PolarHBondContact N-O 3.5Å; C88-K90 VanDerWaalsContact C-N 3.28Å; C88-K90 PolarHBondContact O-N 3.36Å; K90-E103 VanDerWaalsContact NZ-CD 3.35Å; K90-E103 IonicContact NZ-OE1 3.16Å; K90-E103 PolarHBondContact NZ-OE1 3.21Å; K90-E103 VanDerWaalsContact NZ-OE1 3.16Å; K90-E103 IonicContact NZ-OE2 2.71Å; K90-E103 PolarHBondContact NZ-OE2 2.8Å
91A68.6Low65.6Low44 Ų4482.9 Ų82.936%0.36444%0.442SS..BIsolated β-bridgetrans-71.2159.6175.300000112.4E82 Q83E82-A91 HydrophobicContact CB-CB 3.83Å; E82-A91 HydrophobicContact CG-CB 4.43Å; Q83-A91 WeakPolarHBondContact O-CA 3.07Å
92G72.9Confident65.6Low76 Ų7683.1 Ų83.178%0.78445%0.454SS*.SBendtrans97.7-0.5170.600000115.7Q83Q83-G92 PolarHBondContact O-N 2.95Å; Q83-G92 VanDerWaalsContact O-N 3.16Å
93H75.8Confident65.9Low36 Ų3679.3 Ų79.317%0.16744%0.436CS..SBendtrans-155.7158.9173.264.1-77.7000111.7C85 C88 D97 C98C85-H93 WeakPolarHBondContact CA-O 3.13Å; C85-H93 WeakPolarHBondContact CB-NE2 3.4Å; C85-H93 WeakPolarHBondContact CB-O 3.37Å; C85-H93 PolarHBondContact N-O 3.28Å; C85-H93 PolarHBondContact SG-NE2 3.22Å; C85-H93 VanDerWaalsContact SG-NE2 3.37Å; C88-H93 VanDerWaalsContact SG-CE1 3.52Å; C88-H93 PolarHBondContact SG-NE2 2.77Å; H93-D97 HydrophobicContact CB-CB 4.49Å; H93-D97 PolarHBondContact CD2-O 3.48Å; H93-C98 VanDerWaalsContact CD2-CA 3.42Å; H93-C98 WeakPolarHBondContact CD2-CA 3.39Å; H93-C98 PolarHBondContact NE2-SG 3.4Å
94V71.2Confident66Low54 Ų5476.8 Ų76.833%0.32742%0.424SS..  trans-94.1164.9173.3-64.20000111R96 D97V94-R96 HydrophobicContact CG2-CB 4.39Å; V94-R96 PolarHBondContact O-N 3.1Å; V94-D97 HydrophobicContact CG2-CB 4.5Å; V94-D97 WeakPolarHBondContact CG2-OD2 3.24Å; V94-D97 CarbonylContact O-C 3.6Å; V94-D97 PolarHBondContact O-N 3.16Å
95A66.4Low66Low39 Ų3978.2 Ų78.232%0.32242%0.424SS..G310 helixtrans-55.5-22.1-176.400000115.3S87S87-A95 WeakPolarHBondContact OG-CB 3.39Å
96R69.1Low66.1Low233 Ų23378.1 Ų78.188%0.87942%0.423SS*.G310 helixtrans-79.5-28.4178.1-65.5-178.665.9178.6-1.8113.1V94V94-R96 HydrophobicContact CG2-CB 4.39Å; V94-R96 PolarHBondContact O-N 3.1Å
97D68.8Low66.3Low106 Ų10676.7 Ų76.757%0.56742%0.417SS*.G310 helixtrans-107.831.9-176.7-55.3-78000110H93 V94H93-D97 HydrophobicContact CB-CB 4.49Å; H93-D97 PolarHBondContact CD2-O 3.48Å; V94-D97 HydrophobicContact CG2-CB 4.5Å; V94-D97 WeakPolarHBondContact CG2-OD2 3.24Å; V94-D97 CarbonylContact O-C 3.6Å; V94-D97 PolarHBondContact O-N 3.16Å
98C71.6Confident66.4Low17 Ų1778 Ų7812%0.11543%0.426CS..  trans-95.9100.6-175.5-172.50000111C85 C88 H93 H100 A101C85-C98 VanDerWaalsContact SG-CB 3.59Å; C85-C98 PolarHBondContact SG-SG 3.37Å; C88-C98 VanDerWaalsContact SG-SG 3.64Å; H93-C98 VanDerWaalsContact CD2-CA 3.42Å; H93-C98 WeakPolarHBondContact CD2-CA 3.39Å; H93-C98 PolarHBondContact NE2-SG 3.4Å; C98-H100 PolarHBondContact O-N 3.45Å; C98-A101 PolarHBondContact O-N 3.35Å
99D70.9Confident66.3Low157 Ų15779.7 Ų79.784%0.8444%0.438SS*.THydrogen-bonded Turntrans-66.8-12.9171.8-60.7-77.1000113.2A101D99-A101 VanDerWaalsContact C-N 3.35Å; D99-A101 PolarHBondContact O-N 3.33Å
100H62.1Low66.4Low78 Ų7879.7 Ų79.736%0.36144%0.438SS..THydrogen-bonded Turntrans-97.433.1-179.8-60.990.9000112.7C88 C98 N102 E103C88-H100 HydrophobicContact CB-CB 4.04Å; C98-H100 PolarHBondContact O-N 3.45Å; H100-N102 PolarHBondContact O-N 3.26Å; H100-E103 HydrophobicContact CB-CB 4.37Å; H100-E103 HydrophobicContact CB-CG 4.39Å; H100-E103 WeakPolarHBondContact CB-OE2 3.08Å; H100-E103 IonicContact CD2-OE2 2.86Å; H100-E103 PolarHBondContact CD2-OE2 2.75Å; H100-E103 IonicContact CG-OE2 3.2Å; H100-E103 IonicContact NE2-OE2 3.89Å; H100-E103 PolarHBondContact O-N 2.8Å
101A56.8Low66.2Low53 Ų5376.4 Ų76.444%0.43843%0.43SS..THydrogen-bonded Turntrans-56.2-18.2179.100000113.7C98 D99 Q104C98-A101 PolarHBondContact O-N 3.35Å; D99-A101 VanDerWaalsContact C-N 3.35Å; D99-A101 PolarHBondContact O-N 3.33Å; A101-Q104 WeakPolarHBondContact O-CG 3Å; A101-Q104 PolarHBondContact O-NE2 3.13Å
102N56.8Low65.9Low148 Ų14880.8 Ų80.879%0.79144%0.44SS*.THydrogen-bonded Turntrans-86.3-14.1176.9-143.5-10.1000113.7H100 Q104H100-N102 PolarHBondContact O-N 3.26Å; N102-Q104 PolarHBondContact O-N 2.98Å
103E61.2Low65.7Low73 Ų7379.9 Ų79.934%0.34143%0.431SS..SBendtrans-90.529.1171-61.7-178.8115.400111.1K90 H100 K105 F112K90-E103 VanDerWaalsContact NZ-CD 3.35Å; K90-E103 IonicContact NZ-OE1 3.16Å; K90-E103 PolarHBondContact NZ-OE1 3.21Å; K90-E103 VanDerWaalsContact NZ-OE1 3.16Å; K90-E103 IonicContact NZ-OE2 2.71Å; K90-E103 PolarHBondContact NZ-OE2 2.8Å; H100-E103 HydrophobicContact CB-CB 4.37Å; H100-E103 HydrophobicContact CB-CG 4.39Å; H100-E103 WeakPolarHBondContact CB-OE2 3.08Å; H100-E103 IonicContact CD2-OE2 2.86Å; H100-E103 PolarHBondContact CD2-OE2 2.75Å; H100-E103 IonicContact CG-OE2 3.2Å; H100-E103 IonicContact NE2-OE2 3.89Å; H100-E103 PolarHBondContact O-N 2.8Å; E103-K105 PolarHBondContact O-N 3.46Å; E103-K105 VanDerWaalsContact O-N 3.1Å; E103-F112 WeakPolarHBondContact O-CD1 3.48Å
104Q63.1Low65.5Low81 Ų8179.7 Ų79.738%0.37943%0.43SS..  trans-55.5119.4177.6-89.8168.814.200110.3A101 N102 G113A101-Q104 WeakPolarHBondContact O-CG 3Å; A101-Q104 PolarHBondContact O-NE2 3.13Å; N102-Q104 PolarHBondContact O-N 2.98Å; Q104-G113 PolarHBondContact O-N 3.34Å
105K64.8Low65.3Low92 Ų9280.4 Ų80.440%0.443%0.432SS..BIsolated β-bridgetrans-78.3130.2172.892.4179.3-170.5-179.80109.6S87 E103 Y107 G111 F112S87-K105 PolarHBondContact O-N 2.87Å; E103-K105 PolarHBondContact O-N 3.46Å; E103-K105 VanDerWaalsContact O-N 3.1Å; K105-Y107 PolarHBondContact O-N 2.92Å; K105-Y107 VanDerWaalsContact O-N 3.16Å; K105-G111 CarbonylContact C-O 3.55Å; K105-G111 WeakPolarHBondContact CA-O 3.48Å; K105-F112 HydrophobicContact CB-CD1 4.09Å; K105-F112 HydrophobicContact CB-CE1 3.94Å
106C68.8Low65.2Low0 Ų083.1 Ų83.10%044%0.438CS..  trans-68.6112.6173.4177.50000109.9S108 C109 G110 G111 H114 C119C106-S108 PolarHBondContact O-N 3.1Å; C106-C109 VanDerWaalsContact CB-SG 3.51Å; C106-C109 PolarHBondContact O-N 2.89Å; C106-G110 WeakPolarHBondContact O-CA 3.2Å; C106-G110 PolarHBondContact O-N 3.37Å; C106-G111 WeakPolarHBondContact CB-O 3.15Å; C106-G111 PolarHBondContact N-O 3.39Å; C106-H114 WeakPolarHBondContact CB-NE2 3.45Å; C106-H114 WeakPolarHBondContact CB-O 3.42Å; C106-H114 PolarHBondContact SG-NE2 3.24Å; C106-H114 VanDerWaalsContact SG-NE2 3.37Å; C106-C119 VanDerWaalsContact SG-CB 3.52Å; C106-C119 PolarHBondContact SG-SG 3.32Å
107Y69.1Low65Low157 Ų15781.2 Ų81.262%0.61644%0.436SS*.THydrogen-bonded Turntrans-61.6-10178.5-61.4-76.2000114.8Y86 K105Y86-Y107 PolarHBondContact O-OH 3.44Å; K105-Y107 PolarHBondContact O-N 2.92Å; K105-Y107 VanDerWaalsContact O-N 3.16Å
108S63.8Low64.8Low50 Ų5082.2 Ų82.235%0.3544%0.441SS..THydrogen-bonded Turntrans-92.4-39.3175.4-68.60000114.1C106 Q116C106-S108 PolarHBondContact O-N 3.1Å; S108-Q116 VanDerWaalsContact OG-CG 3.29Å; S108-Q116 WeakPolarHBondContact OG-CG 3.22Å; S108-Q116 PolarHBondContact OG-NE2 3.23Å
109C62.7Low64.7Low46 Ų4681.9 Ų81.931%0.31144%0.438SS..THydrogen-bonded Turntrans-121.6-8-170.873.50000114C106 G111 H114 C119 K121C106-C109 VanDerWaalsContact CB-SG 3.51Å; C106-C109 PolarHBondContact O-N 2.89Å; C109-G111 PolarHBondContact O-N 3.33Å; C109-G111 PolarHBondContact SG-N 2.82Å; C109-G111 VanDerWaalsContact SG-N 3.36Å; C109-H114 PolarHBondContact SG-NE2 3.25Å; C109-C119 PolarHBondContact SG-SG 2.94Å; C109-K121 HydrophobicContact CB-CB 3.79Å
110G64.4Low64.6Low45 Ų4579.1 Ų79.146%0.46442%0.423SS..  trans73.5-2.6-176.800000115C106C106-G110 WeakPolarHBondContact O-CA 3.2Å; C106-G110 PolarHBondContact O-N 3.37Å
111G60.5Low64.8Low20 Ų2081.3 Ų81.321%0.20643%0.432CS..  trans-73.5154.1176.600000112.9K105 C106 C109K105-G111 CarbonylContact C-O 3.55Å; K105-G111 WeakPolarHBondContact CA-O 3.48Å; C106-G111 WeakPolarHBondContact CB-O 3.15Å; C106-G111 PolarHBondContact N-O 3.39Å; C109-G111 PolarHBondContact O-N 3.33Å; C109-G111 PolarHBondContact SG-N 2.82Å; C109-G111 VanDerWaalsContact SG-N 3.36Å
112F63.6Low65.5Low135 Ų13579.9 Ų79.959%0.59242%0.418SS*.BIsolated β-bridgetrans-96.3159.3179.8-60.9-88000111.5E103 K105E103-F112 WeakPolarHBondContact O-CD1 3.48Å; K105-F112 HydrophobicContact CB-CD1 4.09Å; K105-F112 HydrophobicContact CB-CE1 3.94Å
113G68.6Low66.2Low57 Ų5778.7 Ų78.759%0.58841%0.405SS*.SBendtrans86.95.717300000115.7Q104Q104-G113 PolarHBondContact O-N 3.34Å
114H70.4Confident66.6Low32 Ų3275.3 Ų75.315%0.14839%0.39CS..SBendtrans-152.9154173.566.9-86.8000112.4C106 C109 L118 C119C106-H114 WeakPolarHBondContact CB-NE2 3.45Å; C106-H114 WeakPolarHBondContact CB-O 3.42Å; C106-H114 PolarHBondContact SG-NE2 3.24Å; C106-H114 VanDerWaalsContact SG-NE2 3.37Å; C109-H114 PolarHBondContact SG-NE2 3.25Å; H114-L118 HydrophobicContact CB-CB 4.46Å; H114-C119 WeakPolarHBondContact CD2-CA 3.39Å; H114-C119 PolarHBondContact NE2-SG 2.77Å; H114-C119 VanDerWaalsContact NE2-SG 3.35Å
115I67.2Low67Low70 Ų7079 Ų7936%0.35940%0.401SS..  trans-89.5161.8174.858.4169.1000111.7K117 L118 C119I115-K117 HydrophobicContact CD1-CB 4.05Å; I115-K117 HydrophobicContact CD1-CD 4.44Å; I115-K117 HydrophobicContact CD1-CG 4.45Å; I115-K117 HydrophobicContact CG1-CB 4.26Å; I115-K117 PolarHBondContact O-N 3.36Å; I115-L118 HydrophobicContact CD1-CD1 4.43Å; I115-L118 HydrophobicContact CG1-CB 4.28Å; I115-L118 HydrophobicContact CG1-CD1 4.02Å; I115-L118 HydrophobicContact CG1-CG 4.05Å; I115-L118 CarbonylContact O-C 3.51Å; I115-L118 PolarHBondContact O-N 3.5Å; I115-C119 PolarHBondContact O-N 3.36Å
116Q65.5Low67.2Low95 Ų9579.9 Ų79.944%0.44440%0.402SS..G310 helixtrans-48.4-32.3178.2167.9168.69100114.1S108 L118S108-Q116 VanDerWaalsContact OG-CG 3.29Å; S108-Q116 WeakPolarHBondContact OG-CG 3.22Å; S108-Q116 PolarHBondContact OG-NE2 3.23Å; Q116-L118 VanDerWaalsContact C-N 3.34Å
117K64.4Low67.1Low193 Ų19381.7 Ų81.784%0.83941%0.414SS*.G310 helixtrans-72.5-24.7178.5-65.2-175.1178.5-178.80114.1I115I115-K117 HydrophobicContact CD1-CB 4.05Å; I115-K117 HydrophobicContact CD1-CD 4.44Å; I115-K117 HydrophobicContact CD1-CG 4.45Å; I115-K117 HydrophobicContact CG1-CB 4.26Å; I115-K117 PolarHBondContact O-N 3.36Å
118L65Low67.1Low128 Ų12876 Ų7667%0.6740%0.403SS*.G310 helixtrans-111.918.4-176.8-61.7173.4000111.3H114 I115 Q116 D120H114-L118 HydrophobicContact CB-CB 4.46Å; I115-L118 HydrophobicContact CD1-CD1 4.43Å; I115-L118 HydrophobicContact CG1-CB 4.28Å; I115-L118 HydrophobicContact CG1-CD1 4.02Å; I115-L118 HydrophobicContact CG1-CG 4.05Å; I115-L118 CarbonylContact O-C 3.51Å; I115-L118 PolarHBondContact O-N 3.5Å; Q116-L118 VanDerWaalsContact C-N 3.34Å; L118-D120 PolarHBondContact O-N 3.32Å
119C69.1Low67.5Low9 Ų978 Ų786%0.06141%0.407CS..  trans-80.5108.1-177.1-1780000111.2C106 C109 H114 I115 K121 V122C106-C119 VanDerWaalsContact SG-CB 3.52Å; C106-C119 PolarHBondContact SG-SG 3.32Å; C109-C119 PolarHBondContact SG-SG 2.94Å; H114-C119 WeakPolarHBondContact CD2-CA 3.39Å; H114-C119 PolarHBondContact NE2-SG 2.77Å; H114-C119 VanDerWaalsContact NE2-SG 3.35Å; I115-C119 PolarHBondContact O-N 3.36Å; C119-K121 PolarHBondContact O-N 3.45Å; C119-V122 WeakPolarHBondContact O-CB 3.36Å; C119-V122 VanDerWaalsContact O-CG1 3.25Å; C119-V122 WeakPolarHBondContact O-CG1 3.39Å; C119-V122 PolarHBondContact O-N 2.88Å; C119-V122 PolarHBondContact SG-N 2.76Å
120D68.9Low68Low99 Ų9981.6 Ų81.653%0.52942%0.422SS..THydrogen-bonded Turntrans-68.5-24.3171.664.2-72.5000111.9L118 V122 G131L118-D120 PolarHBondContact O-N 3.32Å; D120-V122 PolarHBondContact O-N 3.47Å; D120-G131 WeakPolarHBondContact O-CA 3.22Å; D120-G131 PolarHBondContact O-N 3.01Å
121K66.4Low68.5Low125 Ų12581.9 Ų81.954%0.54343%0.425SS..THydrogen-bonded Turntrans-85.113176.3-59.6-172.3-177.9-179.40113.7C109 C119 K123C109-K121 HydrophobicContact CB-CB 3.79Å; C119-K121 PolarHBondContact O-N 3.45Å; K121-K123 PolarHBondContact O-N 3.2Å
122V71.4Confident69.1Low23 Ų2382.9 Ų82.914%0.13942%0.424CS..PPolyproline II helixtrans-66.2120.217668.50000109.4C119 D120 I130 G131 V133C119-V122 WeakPolarHBondContact O-CB 3.36Å; C119-V122 VanDerWaalsContact O-CG1 3.25Å; C119-V122 WeakPolarHBondContact O-CG1 3.39Å; C119-V122 PolarHBondContact O-N 2.88Å; C119-V122 PolarHBondContact SG-N 2.76Å; D120-V122 PolarHBondContact O-N 3.47Å; V122-I130 WeakPolarHBondContact O-CA 3.45Å; V122-G131 PolarHBondContact O-N 2.75Å; V122-V133 HydrophobicContact CG1-CG1 4.03Å
123K70.8Confident69.2Low123 Ų12379.5 Ų79.554%0.53542%0.415SS..BIsolated β-bridgetrans-76.7120.8174.2-172.7173.8-179.1172.10108.9K121 Y125 G128 I130K121-K123 PolarHBondContact O-N 3.2Å; K123-Y125 PolarHBondContact O-N 3.42Å; K123-G128 WeakPolarHBondContact CE-O 3.09Å; K123-G128 WeakPolarHBondContact CG-O 3.49Å; K123-I130 HydrophobicContact CB-CG2 4.29Å
124C71.1Confident69.2Low2 Ų277.9 Ų77.91%0.01440%0.395CS..PPolyproline II helixtrans-60.3119.5173.1177.30000109.7R126 C127 G128 E129 H132 C137C124-R126 PolarHBondContact O-N 2.74Å; C124-R126 PolarHBondContact SG-N 3.48Å; C124-R126 VanDerWaalsContact SG-N 3.44Å; C124-C127 VanDerWaalsContact CB-SG 3.58Å; C124-G128 VanDerWaalsContact O-CA 3.23Å; C124-G128 WeakPolarHBondContact O-CA 3.15Å; C124-G128 PolarHBondContact O-N 3.3Å; C124-E129 VanDerWaalsContact CB-O 3.31Å; C124-E129 WeakPolarHBondContact CB-O 3.38Å; C124-E129 PolarHBondContact N-O 3.44Å; C124-H132 VanDerWaalsContact CB-NE2 3.29Å; C124-H132 WeakPolarHBondContact CB-NE2 3.42Å; C124-H132 PolarHBondContact SG-NE2 3.15Å; C124-C137 VanDerWaalsContact SG-SG 3.64Å
125Y71.3Confident69.1Low159 Ų15982.4 Ų82.462%0.62443%0.425SS*.THydrogen-bonded Turntrans-70.5-10179.5-62.9-82.4000113.7K123K123-Y125 PolarHBondContact O-N 3.42Å
126R67.3Low69Low110 Ų11085.7 Ų85.742%0.41544%0.439SS..THydrogen-bonded Turntrans-91.3-49.1176.8-70.1178.6-179176.2-8.7112.3C124 A134C124-R126 PolarHBondContact O-N 2.74Å; C124-R126 PolarHBondContact SG-N 3.48Å; C124-R126 VanDerWaalsContact SG-N 3.44Å; R126-A134 WeakPolarHBondContact CD-O 3.36Å; R126-A134 HydrophobicContact CG-CB 3.9Å; R126-A134 PolarHBondContact NH1-O 3.39Å
127C67.4Low69.3Low38 Ų3881.5 Ų81.526%0.25742%0.42SS..THydrogen-bonded Turntrans-109.4-8.4-176.170.30000115.1C124 E129 H132 C137 K139C124-C127 VanDerWaalsContact CB-SG 3.58Å; C127-E129 PolarHBondContact O-N 2.73Å; C127-E129 PolarHBondContact SG-N 3.22Å; C127-H132 PolarHBondContact SG-CE1 3.26Å; C127-H132 PolarHBondContact SG-NE2 3.31Å; C127-H132 VanDerWaalsContact SG-NE2 3.4Å; C127-C137 PolarHBondContact SG-SG 3.16Å; C127-K139 HydrophobicContact CB-CB 4.22Å; C127-K139 HydrophobicContact CB-CD 3.9Å
128G68.7Low69.6Low36 Ų3678.4 Ų78.437%0.37142%0.423SS..  trans76-0.4-17900000115.5K123 C124K123-G128 WeakPolarHBondContact CE-O 3.09Å; K123-G128 WeakPolarHBondContact CG-O 3.49Å; C124-G128 VanDerWaalsContact O-CA 3.23Å; C124-G128 WeakPolarHBondContact O-CA 3.15Å; C124-G128 PolarHBondContact O-N 3.3Å
129E72.6Confident69.5Low94 Ų9478.1 Ų78.144%0.43942%0.416SS..  trans-82.6147.2176.1-68174.3143.500111.4C124 C127 K139C124-E129 VanDerWaalsContact CB-O 3.31Å; C124-E129 WeakPolarHBondContact CB-O 3.38Å; C124-E129 PolarHBondContact N-O 3.44Å; C127-E129 PolarHBondContact O-N 2.73Å; C127-E129 PolarHBondContact SG-N 3.22Å; E129-K139 IonicContact OE1-NZ 2.85Å; E129-K139 PolarHBondContact OE1-NZ 3.48Å; E129-K139 WeakPolarHBondContact OE2-CE 3.17Å; E129-K139 IonicContact OE2-NZ 2.78Å; E129-K139 PolarHBondContact OE2-NZ 3.43Å
130I73.9Confident69Low120 Ų12079.2 Ų79.262%0.61543%0.426SS*.BIsolated β-bridgetrans-84.1159.2174.960.6171.9000110.1V122 K123V122-I130 WeakPolarHBondContact O-CA 3.45Å; K123-I130 HydrophobicContact CB-CG2 4.29Å
131G73.6Confident68.5Low52 Ų5279.8 Ų79.854%0.53644%0.437SS..SBendtrans105.4-7.2175.300000115.7D120 V122D120-G131 WeakPolarHBondContact O-CA 3.22Å; D120-G131 PolarHBondContact O-N 3.01Å; V122-G131 PolarHBondContact O-N 2.75Å
132H73.4Confident68.2Low40 Ų4079.6 Ų79.619%0.18544%0.439CS..SBendtrans-155.3155.1-179.865.5-83000113.2C124 C127 C137C124-H132 VanDerWaalsContact CB-NE2 3.29Å; C124-H132 WeakPolarHBondContact CB-NE2 3.42Å; C124-H132 PolarHBondContact SG-NE2 3.15Å; C127-H132 PolarHBondContact SG-CE1 3.26Å; C127-H132 PolarHBondContact SG-NE2 3.31Å; C127-H132 VanDerWaalsContact SG-NE2 3.4Å; H132-C137 VanDerWaalsContact CD2-CA 3.48Å; H132-C137 WeakPolarHBondContact CD2-CA 3.47Å; H132-C137 WeakPolarHBondContact NE2-CB 3.23Å; H132-C137 PolarHBondContact NE2-SG 2.76Å
133V67.3Low67.8Low65 Ų6580.3 Ų80.339%0.39444%0.443SS..  trans-83.9153.7172.1-63.60000110.8V122 V135 Q136V122-V133 HydrophobicContact CG1-CG1 4.03Å; V133-V135 HydrophobicContact CG2-CB 4.35Å; V133-V135 PolarHBondContact O-N 3.3Å; V133-Q136 HydrophobicContact CG2-CB 4.41Å; V133-Q136 HydrophobicContact CG2-CG 4.11Å; V133-Q136 PolarHBondContact O-N 2.86Å
134A66.7Low67.5Low22 Ų2278.9 Ų78.918%0.18244%0.441CS..G310 helixtrans-53.3-24.6-176.900000115.2R126 Q136 C137R126-A134 WeakPolarHBondContact CD-O 3.36Å; R126-A134 HydrophobicContact CG-CB 3.9Å; R126-A134 PolarHBondContact NH1-O 3.39Å; A134-Q136 VanDerWaalsContact C-N 3.35Å; A134-C137 WeakPolarHBondContact O-CB 3.49Å
135V68.4Low67.5Low128 Ų12878.8 Ų78.878%0.77644%0.441SS*.G310 helixtrans-71.2-29.9176.8179.80000112.2V133V133-V135 HydrophobicContact CG2-CB 4.35Å; V133-V135 PolarHBondContact O-N 3.3Å
136Q65.7Low67.4Low138 Ų13880.4 Ų80.465%0.64545%0.447SS*.G310 helixtrans-104.319.3-178-61.9175.4-68.300111.9V133 A134 S138V133-Q136 HydrophobicContact CG2-CB 4.41Å; V133-Q136 HydrophobicContact CG2-CG 4.11Å; V133-Q136 PolarHBondContact O-N 2.86Å; A134-Q136 VanDerWaalsContact C-N 3.35Å; Q136-S138 PolarHBondContact O-N 2.71Å
137C71.6Confident67.4Low7 Ų780 Ų805%0.04745%0.448CS..  trans-80.6116.2-179.2-174.20000110.3C124 C127 H132 A134 K139 A140C124-C137 VanDerWaalsContact SG-SG 3.64Å; C127-C137 PolarHBondContact SG-SG 3.16Å; H132-C137 VanDerWaalsContact CD2-CA 3.48Å; H132-C137 WeakPolarHBondContact CD2-CA 3.47Å; H132-C137 WeakPolarHBondContact NE2-CB 3.23Å; H132-C137 PolarHBondContact NE2-SG 2.76Å; A134-C137 WeakPolarHBondContact O-CB 3.49Å; C137-K139 PolarHBondContact O-N 3.16Å; C137-A140 HydrophobicContact CB-CB 4.47Å; C137-A140 WeakPolarHBondContact O-CB 3.48Å; C137-A140 PolarHBondContact O-N 3.3Å; C137-A140 VanDerWaalsContact O-N 3.11Å
138S70.6Confident67.6Low129 Ų12979.8 Ų79.890%0.90245%0.447SS*.THydrogen-bonded Turntrans-68-16.3177.7-46.90000113.5Q136 A140Q136-S138 PolarHBondContact O-N 2.71Å; S138-A140 PolarHBondContact O-N 2.89Å
139K63.7Low67.5Low121 Ų12180.9 Ų80.953%0.52646%0.458SS..THydrogen-bonded Turntrans-86.914.9173.1-62.4174.6177.1164.20112.6C127 E129 C137 S141C127-K139 HydrophobicContact CB-CB 4.22Å; C127-K139 HydrophobicContact CB-CD 3.9Å; E129-K139 IonicContact OE1-NZ 2.85Å; E129-K139 PolarHBondContact OE1-NZ 3.48Å; E129-K139 WeakPolarHBondContact OE2-CE 3.17Å; E129-K139 IonicContact OE2-NZ 2.78Å; E129-K139 PolarHBondContact OE2-NZ 3.43Å; C137-K139 PolarHBondContact O-N 3.16Å; K139-S141 PolarHBondContact O-N 2.85Å
140A58.9Low67.4Low32 Ų3280.7 Ų80.726%0.26446%0.46SS..THydrogen-bonded Turntrans-7210-17400000115.7C137 S138 E142C137-A140 HydrophobicContact CB-CB 4.47Å; C137-A140 WeakPolarHBondContact O-CB 3.48Å; C137-A140 PolarHBondContact O-N 3.3Å; C137-A140 VanDerWaalsContact O-N 3.11Å; S138-A140 PolarHBondContact O-N 2.89Å; A140-E142 PolarHBondContact O-N 3Å; A140-E142 VanDerWaalsContact O-N 3.16Å
141S58.4Low67.2Low111 Ų11178.7 Ų78.778%0.77645%0.453SS*.THydrogen-bonded Turntrans-64.8-1517950.60000113.6K139K139-S141 PolarHBondContact O-N 2.85Å
142E59.5Low67.2Low122 Ų12279.4 Ų79.457%0.5746%0.46SS*.  trans-116.780.6176.4-59.6-169.5107.800110.1A140 N144A140-E142 PolarHBondContact O-N 3Å; A140-E142 VanDerWaalsContact O-N 3.16Å; E142-N144 PolarHBondContact O-N 2.74Å; E142-N144 PolarHBondContact O-OD1 3.32Å
143V63.2Low67.1Low38 Ų3879.6 Ų79.623%0.2346%0.462CS..  trans-67.698.6170.2179.60000108T151 G152 H153 L154V143-T151 CarbonylContact O-C 3.42Å; V143-T151 WeakPolarHBondContact O-CA 3.28Å; V143-G152 PolarHBondContact O-N 3.12Å; V143-H153 WeakPolarHBondContact CG1-O 3.43Å; V143-L154 HydrophobicContact CG1-CD2 3.99Å; V143-L154 HydrophobicContact CG1-CG 4.04Å
144N65.2Low67.1Low93 Ų9380.7 Ų80.750%0.49747%0.465SS..BIsolated β-bridgetrans-82.6123.7178.2-59.6-27.8000110.1E142 Y146 T151E142-N144 PolarHBondContact O-N 2.74Å; E142-N144 PolarHBondContact O-OD1 3.32Å; N144-Y146 PolarHBondContact O-N 2.74Å; N144-T151 WeakPolarHBondContact OD1-CG2 3.31Å
145C69.7Low67.2Low0 Ų079.8 Ų79.80%046%0.457CS..  trans-74.7112.8173.6177.40000109.8K147 C148 G149 N150 H153 A155 C158C145-K147 PolarHBondContact O-N 3.34Å; C145-K147 VanDerWaalsContact O-N 3.09Å; C145-K147 PolarHBondContact SG-N 3.35Å; C145-C148 VanDerWaalsContact CB-SG 3.54Å; C145-C148 PolarHBondContact O-N 3.28Å; C145-C148 PolarHBondContact SG-SG 2.89Å; C145-G149 WeakPolarHBondContact O-CA 3.49Å; C145-G149 PolarHBondContact O-N 3.39Å; C145-N150 WeakPolarHBondContact CB-O 2.95Å; C145-N150 PolarHBondContact N-O 3.35Å; C145-H153 WeakPolarHBondContact CB-NE2 3.41Å; C145-H153 PolarHBondContact SG-NE2 3.36Å; C145-A155 VanDerWaalsContact SG-CA 3.59Å; C145-C158 WeakPolarHBondContact SG-CB 3.32Å; C145-C158 PolarHBondContact SG-SG 3.41Å
146Y70.1Confident67.3Low193 Ų19383 Ų8376%0.75746%0.461SS*.THydrogen-bonded Turntrans-67.7-7.1179.261.7-103.3000114.6N144 A155N144-Y146 PolarHBondContact O-N 2.74Å; Y146-A155 HydrophobicContact CD1-CB 3.51Å; Y146-A155 HydrophobicContact CD2-CB 3.93Å; Y146-A155 HydrophobicContact CE1-CB 3.07Å; Y146-A155 HydrophobicContact CE2-CB 3.51Å; Y146-A155 HydrophobicContact CG-CB 3.92Å; Y146-A155 WeakPolarHBondContact OH-CB 3.27Å
147K66.7Low67.3Low101 Ų10182.7 Ų82.744%0.43946%0.459SS..THydrogen-bonded Turntrans-88.6-36.6175.4-72.3178.8176.91780112.9C145 A155 C158C145-K147 PolarHBondContact O-N 3.34Å; C145-K147 VanDerWaalsContact O-N 3.09Å; C145-K147 PolarHBondContact SG-N 3.35Å; K147-A155 HydrophobicContact CD-CB 4.15Å; K147-A155 WeakPolarHBondContact CD-O 3.33Å; K147-A155 VanDerWaalsContact CE-O 3.27Å; K147-A155 WeakPolarHBondContact CE-O 3.42Å; K147-A155 HydrophobicContact CG-CB 4.03Å; K147-A155 PolarHBondContact NZ-O 3.24Å; K147-C158 HydrophobicContact CD-CB 4.15Å
148C71.4Confident67.4Low34 Ų3483 Ų8323%0.2346%0.462CS..THydrogen-bonded Turntrans-124.6-2.5-173.764.90000114.8C145 N150 H153 I160C145-C148 VanDerWaalsContact CB-SG 3.54Å; C145-C148 PolarHBondContact O-N 3.28Å; C145-C148 PolarHBondContact SG-SG 2.89Å; C148-N150 PolarHBondContact O-N 2.85Å; C148-N150 VanDerWaalsContact O-N 3.09Å; C148-H153 VanDerWaalsContact SG-CE1 3.54Å; C148-H153 PolarHBondContact SG-NE2 3.44Å; C148-I160 HydrophobicContact CB-CB 4.17Å; C148-I160 HydrophobicContact CB-CD1 3.47Å; C148-I160 VanDerWaalsContact CB-CD1 3.47Å; C148-I160 HydrophobicContact CB-CG1 4.09Å
149G67.4Low67.7Low58 Ų5883.4 Ų83.460%0.59846%0.459SS*.  trans74.4-11.4-178.300000115C145C145-G149 WeakPolarHBondContact O-CA 3.49Å; C145-G149 PolarHBondContact O-N 3.39Å
150N69.4Low67.9Low90 Ų9081.7 Ų81.748%0.48145%0.454SS..  trans-76.7149.6-178.6-66.3-32.9000112.6C145 C148C145-N150 WeakPolarHBondContact CB-O 2.95Å; C145-N150 PolarHBondContact N-O 3.35Å; C148-N150 PolarHBondContact O-N 2.85Å; C148-N150 VanDerWaalsContact O-N 3.09Å
151T70.3Confident68Low78 Ų7888.7 Ų88.748%0.47948%0.481SS..BIsolated β-bridgetrans-89.2160.7-179.974.40000110.9V143 N144V143-T151 CarbonylContact O-C 3.42Å; V143-T151 WeakPolarHBondContact O-CA 3.28Å; N144-T151 WeakPolarHBondContact OD1-CG2 3.31Å
152G73.2Confident67.7Low67 Ų6786.9 Ų86.969%0.69147%0.474SS*.SBendtrans97-0.8171.400000116.7V143V143-G152 PolarHBondContact O-N 3.12Å
153H71.8Confident67.3Low45 Ų4587.7 Ų87.721%0.20849%0.487CS..SBendtrans-149.6152.8176.365.7-79000113V143 C145 C148 C158V143-H153 WeakPolarHBondContact CG1-O 3.43Å; C145-H153 WeakPolarHBondContact CB-NE2 3.41Å; C145-H153 PolarHBondContact SG-NE2 3.36Å; C148-H153 VanDerWaalsContact SG-CE1 3.54Å; C148-H153 PolarHBondContact SG-NE2 3.44Å; H153-C158 WeakPolarHBondContact NE2-CB 3.3Å; H153-C158 PolarHBondContact NE2-SG 3.16Å; H153-C158 VanDerWaalsContact NE2-SG 3.39Å
154L67.4Low66.3Low88 Ų8894.1 Ų94.146%0.46154%0.544SS..  trans-76.5148.2171.7-72.1156.2000109.6V143 K156 E157 C158V143-L154 HydrophobicContact CG1-CD2 3.99Å; V143-L154 HydrophobicContact CG1-CG 4.04Å; L154-K156 PolarHBondContact O-N 3.27Å; L154-E157 WeakPolarHBondContact O-CA 3.18Å; L154-E157 PolarHBondContact O-N 3.24Å; L154-C158 PolarHBondContact O-N 3.42Å
155A69.3Low66.3Low3 Ų394.2 Ų94.23%0.02555%0.546CS..THydrogen-bonded Turntrans-61.3-10.8178.100000115.8C145 Y146 K147 E157C145-A155 VanDerWaalsContact SG-CA 3.59Å; Y146-A155 HydrophobicContact CD1-CB 3.51Å; Y146-A155 HydrophobicContact CD2-CB 3.93Å; Y146-A155 HydrophobicContact CE1-CB 3.07Å; Y146-A155 HydrophobicContact CE2-CB 3.51Å; Y146-A155 HydrophobicContact CG-CB 3.92Å; Y146-A155 WeakPolarHBondContact OH-CB 3.27Å; K147-A155 HydrophobicContact CD-CB 4.15Å; K147-A155 WeakPolarHBondContact CD-O 3.33Å; K147-A155 VanDerWaalsContact CE-O 3.27Å; K147-A155 WeakPolarHBondContact CE-O 3.42Å; K147-A155 HydrophobicContact CG-CB 4.03Å; K147-A155 PolarHBondContact NZ-O 3.24Å; A155-E157 VanDerWaalsContact C-N 3.35Å
156K68.8Low66.2Low196 Ų19699.2 Ų99.285%0.85258%0.575SS**THydrogen-bonded Turntrans-72.8-29.9169-79.9-172.8170.4-172.70112.7L154L154-K156 PolarHBondContact O-N 3.27Å
157E67Low65.9Low131 Ų13193.9 Ų93.961%0.61257%0.565SS**SBendtrans-102.25.1-178.8-59.6174.2106.800111.1L154 A155 T159L154-E157 WeakPolarHBondContact O-CA 3.18Å; L154-E157 PolarHBondContact O-N 3.24Å; A155-E157 VanDerWaalsContact C-N 3.35Å; E157-T159 PolarHBondContact O-N 3.14Å
158C74Confident65.9Low14 Ų1493.5 Ų93.510%0.09557%0.573CS.*  trans-72.6114.2175.6-170.20000109.4C145 K147 H153 L154C145-C158 WeakPolarHBondContact SG-CB 3.32Å; C145-C158 PolarHBondContact SG-SG 3.41Å; K147-C158 HydrophobicContact CD-CB 4.15Å; H153-C158 WeakPolarHBondContact NE2-CB 3.3Å; H153-C158 PolarHBondContact NE2-SG 3.16Å; H153-C158 VanDerWaalsContact NE2-SG 3.39Å; L154-C158 PolarHBondContact O-N 3.42Å
159T76Confident65.6Low137 Ų13797.3 Ų97.384%0.8459%0.594SS**  trans-80.3-4.6176.3520000113E157 E161E157-T159 PolarHBondContact O-N 3.14Å; T159-E161 PolarHBondContact O-N 2.69Å
160I69.1Low65.4Low84 Ų8499.9 Ų99.943%0.43159%0.594SS.*SBendtrans-86.6113.5178.2-34.2-169.1000107.8C148 A162C148-I160 HydrophobicContact CB-CB 4.17Å; C148-I160 HydrophobicContact CB-CD1 3.47Å; C148-I160 VanDerWaalsContact CB-CD1 3.47Å; C148-I160 HydrophobicContact CB-CG1 4.09Å; I160-A162 PolarHBondContact O-N 2.9Å
161E60.9Low65.1Low179 Ų179100.6 Ų100.684%0.83660%0.602SS**  trans-63.9128.4170.6-62.5-159.2101.700108.4T159 T163T159-E161 PolarHBondContact O-N 2.69Å; E161-T163 PolarHBondContact O-N 2.95Å
162A51.2Low64.7Low74 Ų74102.3 Ų102.361%0.61261%0.611SS**  trans-61.5108.1-176.500000109.2I160 A164I160-A162 PolarHBondContact O-N 2.9Å; A162-A164 PolarHBondContact O-N 2.81Å
163T51.8Low64Low139 Ų139105.3 Ų105.385%0.85361%0.605SS**  trans-61.8116.9162.9440000107.2E161E161-T163 PolarHBondContact O-N 2.95Å
164A41.3Very low63.3Low173 Ų173110.7 Ų110.7100%1.4364%0.641SS**  trans-57.4018000000112.8A162A162-A164 PolarHBondContact O-N 2.81Å

Retrieved 164 of 164 residues in 35.7 ms (Link to these results)