X5CT67_HUMAN Loading...

RUNX1/RUNX1T1 fusion protein

AlphaFold DB , UniProt , Accession X5CT67, Species HUMAN (Homo sapiens, Human), Gene RUNX1, Length 123 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
1M43.6Very low51.6Low246 Ų246165 Ų165100%1.21282%0.818SS**  0114.50-111.6163.5-171.500107.7
2A46.7Very low52.3Low91 Ų91168.8 Ų168.875%0.75282%0.816SS**  trans-89.3123.2-170.700000111.1A4A2-A4 PolarHBondContact O-N 3.37Å
3I57.3Low52.6Low155 Ų155168.8 Ų168.880%0.79581%0.814SS**  trans-94.684.7172.3-53.8174.3000106.8
4A54.4Low53.2Low80 Ų80163.6 Ų163.666%0.66180%0.8SS**  trans-129.821.5-179.800000113.3A2A2-A4 PolarHBondContact O-N 3.37Å
5H53Low53Low151 Ų151157.5 Ų157.570%0.69978%0.78SS**  trans-111.5-1.2-174.6-72.4-68.9000115.9
6H58.6Low53.3Low165 Ų165156.6 Ų156.676%0.76477%0.773SS**THydrogen-bonded Turntrans-92.8-3.9-176.5-64.4-56.1000115.7
7Y50.4Low53.5Low232 Ų232159.9 Ų159.991%0.9178%0.775SS**THydrogen-bonded Turntrans-89.9-8179.6-152-97.1000113.9
8R52.4Low53.7Low231 Ų231157.1 Ų157.187%0.87276%0.764SS**SBendtrans-106.7-7-170.8-142.9-168.7177.7177.60.9116.1
9D49.8Very low53.9Low115 Ų115154.7 Ų154.762%0.61576%0.755SS**  trans-105.38.7-171-92.1-36000115.6Y11D9-Y11 VanDerWaalsContact C-N 3.29Å; D9-Y11 PolarHBondContact O-N 3.1Å
10S51.7Low54.2Low115 Ų115156.9 Ų156.980%0.80475%0.754SS**THydrogen-bonded Turntrans-79.7-6.2173.9-60.30000114.4
11Y49.8Very low54.4Low234 Ų234156.2 Ų156.292%0.91876%0.755SS**THydrogen-bonded Turntrans-101.26.3178.8-97.4-86.6000114.4D9 H13D9-Y11 VanDerWaalsContact C-N 3.29Å; D9-Y11 PolarHBondContact O-N 3.1Å; Y11-H13 PolarHBondContact O-N 3.01Å
12R59.8Low55.1Low211 Ų211155.2 Ų155.280%0.79674%0.738SS**  trans-88.3109.1167.8-97.2-164.7172162.40.2110.1
13H56.1Low55.3Low169 Ų169157.1 Ų157.178%0.78274%0.735SS**PPolyproline II helixtrans-49.2135.3165.9-163.3-72.8000109.8Y11 S15Y11-H13 PolarHBondContact O-N 3.01Å; H13-S15 PolarHBondContact O-N 2.81Å; H13-S15 VanDerWaalsContact O-N 3.13Å
14P60.5Low55.3Low96 Ų96160.2 Ų160.262%0.62374%0.737SS**PPolyproline II helixtrans-52.9124.6172.6-23.232.1000109.2H16P14-H16 PolarHBondContact O-N 3.5Å
15S50.3Low55.2Low72 Ų72162 Ų16250%0.50374%0.742SS.*PPolyproline II helixtrans-60.7125.6178.320.30000109.6H13 R17 D18H13-S15 PolarHBondContact O-N 2.81Å; H13-S15 VanDerWaalsContact O-N 3.13Å; S15-R17 PolarHBondContact O-N 3.07Å; S15-D18 PolarHBondContact O-N 3.25Å; S15-D18 PolarHBondContact OG-OD2 3.36Å
16H58.6Low55.3Low142 Ų142163.9 Ų163.966%0.65775%0.753SS**Hα-helixtrans-52.7-15.1178.1-173.1-79000114P14P14-H16 PolarHBondContact O-N 3.5Å
17R56.8Low54.9Low213 Ų213158.5 Ų158.580%0.80474%0.743SS**Hα-helixtrans-67.8-35.4176.7-155.2176-173.5-158.40.5112.5S15 L19 R20S15-R17 PolarHBondContact O-N 3.07Å; R17-L19 VanDerWaalsContact C-N 3.3Å; R17-L19 PolarHBondContact O-N 2.9Å; R17-R20 PolarHBondContact O-N 3.24Å
18D56.6Low55.2Low109 Ų109155.6 Ų155.658%0.58374%0.742SS**Hα-helixtrans-75.4-19.4-179.2-58.9-67.4000112.8S15S15-D18 PolarHBondContact O-N 3.25Å; S15-D18 PolarHBondContact OG-OD2 3.36Å
19L57.9Low54.9Low113 Ų113154 Ų15459%0.59274%0.744SS**Hα-helixtrans-71.9-33.5173.2-107.476000112.4R17R17-L19 VanDerWaalsContact C-N 3.3Å; R17-L19 PolarHBondContact O-N 2.9Å
20R60.4Low54.8Low197 Ų197151 Ų15174%0.74374%0.74SS**Hα-helixtrans-71.9-32.2-177.6-88.5-153.9-168.6-101.25.4113.2R17 R22 N23R17-R20 PolarHBondContact O-N 3.24Å; R20-R22 VanDerWaalsContact C-N 3.3Å; R20-R22 PolarHBondContact O-N 3.35Å; R20-N23 WeakPolarHBondContact O-CB 3.43Å; R20-N23 PolarHBondContact O-N 3.14Å
21D57.1Low54.5Low143 Ų143152.5 Ų152.577%0.76575%0.745SS**Hα-helixtrans-73.5-20.9-176.7-104.8-37.5000113.3N23D21-N23 VanDerWaalsContact C-N 3.27Å
22R57.8Low54.3Low225 Ų225152.4 Ų152.485%0.84974%0.743SS**THydrogen-bonded Turntrans-75.6-18.9169-163.668.770.9175.94.3112.6R20 R24R20-R22 VanDerWaalsContact C-N 3.3Å; R20-R22 PolarHBondContact O-N 3.35Å; R22-R24 VanDerWaalsContact C-N 3.34Å; R22-R24 PolarHBondContact O-N 2.95Å
23N52.9Low53.8Low131 Ų131150 Ų15070%0.70174%0.74SS**THydrogen-bonded Turntrans-91.719.3-171.7-100.174.1000114.2R20 D21 P25R20-N23 WeakPolarHBondContact O-CB 3.43Å; R20-N23 PolarHBondContact O-N 3.14Å; D21-N23 VanDerWaalsContact C-N 3.27Å; N23-P25 VanDerWaalsContact O-CD 3.27Å; N23-P25 WeakPolarHBondContact O-CD 3.4Å
24R56Low53.6Low220 Ų220150.1 Ų150.183%0.8374%0.741SS**  trans-77.1115169.4-153.6174-168.2-171.42.6108.6R22 M26R22-R24 VanDerWaalsContact C-N 3.34Å; R22-R24 PolarHBondContact O-N 2.95Å; R24-M26 PolarHBondContact O-N 2.9Å
25P53.2Low53.5Low118 Ų118152.7 Ų152.777%0.76675%0.745SS**  trans-71.2101.1175.929-29.6000107.3N23 G27N23-P25 VanDerWaalsContact O-CD 3.27Å; N23-P25 WeakPolarHBondContact O-CD 3.4Å; P25-G27 PolarHBondContact O-N 3.31Å
26M54.6Low54.3Low190 Ų190158.2 Ų158.294%0.93677%0.765SS**  trans-58.2119.3160-83.6172120.900106.7R24R24-M26 PolarHBondContact O-N 2.9Å
27G50.4Low55.2Low53 Ų53157.5 Ų157.555%0.54677%0.765SS.*  trans-66.4167.5-16700000114.3P25P25-G27 PolarHBondContact O-N 3.31Å
28L56Low56.2Low170 Ų170153 Ų15389%0.8976%0.757SS**  trans54.771.7154.8-71.488.9000115.1
29H46.8Very low57.6Low197 Ų197155.7 Ų155.791%0.91277%0.765SS**  trans-109.2112.4136.1-80.2-55.5000107.7
30G46.9Very low59.1Low52 Ų52160.1 Ų160.154%0.53677%0.774SS.*  trans-65.4164-161.100000114.4R32G30-R32 PolarHBondContact O-N 2.9Å
31T45.8Very low60.6Low148 Ų148154.1 Ų154.191%0.90876%0.756SS**  trans38.143.1143.362.80000115.3Q33T31-Q33 PolarHBondContact O-N 3.14Å
32R46.8Very low62.3Low232 Ų232150.9 Ų150.988%0.87574%0.742SS**  trans-74.689.6168.3-158.9178.1-167.7-95.30.2103.1G30 E34G30-R32 PolarHBondContact O-N 2.9Å; R32-E34 VanDerWaalsContact C-N 3.26Å; R32-E34 PolarHBondContact O-N 3.06Å
33Q47.8Very low64.1Low159 Ų159147.3 Ų147.374%0.74374%0.74SS**  trans-40.8106.1157.7-168.2176.210.900104.6T31 E35T31-Q33 PolarHBondContact O-N 3.14Å; Q33-E35 PolarHBondContact O-N 3.31Å
34E51.8Low66.1Low172 Ų172149.3 Ų149.380%0.80474%0.738SS**  trans-62.192.1163.7-174170.5-170.900102.3R32 M36R32-E34 VanDerWaalsContact C-N 3.26Å; R32-E34 PolarHBondContact O-N 3.06Å; E34-M36 PolarHBondContact O-N 3.3Å
35E58.2Low68Low151 Ų151142.3 Ų142.371%0.70671%0.714SS**  trans-51.4112.8171.5-74.6-179.2160.700104.1Q33 I37Q33-E35 PolarHBondContact O-N 3.31Å; E35-I37 WeakPolarHBondContact O-CG1 3.44Å; E35-I37 PolarHBondContact O-N 3.31Å
36M66.9Low70.1Confident188 Ų188142.7 Ų142.793%0.92670%0.701SS**  trans-62.394.1172.5-73.7179.9162.600104.9E34 D38E34-M36 PolarHBondContact O-N 3.3Å; M36-D38 PolarHBondContact O-N 3.48Å
37I78.2Confident72.1Confident127 Ų127136.5 Ų136.565%0.65168%0.68SS**  trans-62.8114.1-179.4-59.9179.5000105.3E35 H39E35-I37 WeakPolarHBondContact O-CG1 3.44Å; E35-I37 PolarHBondContact O-N 3.31Å; I37-H39 PolarHBondContact O-CE1 3.29Å; I37-H39 VanDerWaalsContact O-CE1 3.31Å; I37-H39 PolarHBondContact O-N 3.22Å; I37-H39 PolarHBondContact O-ND1 2.88Å
38D78.7Confident74.3Confident117 Ų117139.1 Ų139.163%0.62668%0.678SS**  trans-69.2116.6170.5-169.7-0000107.3M36 R40M36-D38 PolarHBondContact O-N 3.48Å; D38-R40 PolarHBondContact O-N 3.09Å; D38-R40 VanDerWaalsContact OD1-CB 3.3Å; D38-R40 WeakPolarHBondContact OD1-CB 3.45Å; D38-R40 VanDerWaalsContact OD1-CG 3.24Å; D38-R40 WeakPolarHBondContact OD1-CG 3.41Å; D38-R40 PolarHBondContact OD1-N 3.47Å
39H86.3Confident76.3Confident166 Ų166135.7 Ų135.777%0.76966%0.657SS**  trans-81.1-1.3-179.9-6666.2000111.6I37 L41I37-H39 PolarHBondContact O-CE1 3.29Å; I37-H39 VanDerWaalsContact O-CE1 3.31Å; I37-H39 PolarHBondContact O-N 3.22Å; I37-H39 PolarHBondContact O-ND1 2.88Å; H39-L41 PolarHBondContact O-N 2.95Å
40R89.4Confident78.7Confident207 Ų207134 Ų13478%0.78164%0.643SS**  trans-80.3103.8177.6-62.2-178.971.9-179.21.5109.8D38D38-R40 PolarHBondContact O-N 3.09Å; D38-R40 VanDerWaalsContact OD1-CB 3.3Å; D38-R40 WeakPolarHBondContact OD1-CB 3.45Å; D38-R40 VanDerWaalsContact OD1-CG 3.24Å; D38-R40 WeakPolarHBondContact OD1-CG 3.41Å; D38-R40 PolarHBondContact OD1-N 3.47Å
41L90.7Very high81.2Confident70 Ų70139 Ų13937%0.36665%0.65SS.*  trans-75.5138.6170.5-60.3172.5000110.2H39 E45 W46 E49H39-L41 PolarHBondContact O-N 2.95Å; L41-E45 HydrophobicContact CB-CB 4.13Å; L41-E45 HydrophobicContact CD2-CB 4.01Å; L41-W46 VanDerWaalsContact CB-CD1 3.4Å; L41-W46 HydrophobicContact CB-CD2 4.5Å; L41-W46 HydrophobicContact CB-CG 3.99Å; L41-W46 HydrophobicContact CD1-CD2 4.16Å; L41-W46 HydrophobicContact CD1-CG 4.31Å; L41-E49 HydrophobicContact CD1-CG 4.17Å
42T93.7Very high83.7Confident75 Ų75136.4 Ų136.446%0.4663%0.627SS.*  trans-68.6161.1165.4620000110.6R44 E45 W46T42-R44 PolarHBondContact O-N 3.25Å; T42-R44 VanDerWaalsContact O-N 3.11Å; T42-E45 WeakPolarHBondContact CB-OE2 3.37Å; T42-E45 WeakPolarHBondContact CG2-OE2 3.48Å; T42-E45 PolarHBondContact N-OE2 3.09Å; T42-E45 PolarHBondContact O-N 3.41Å; T42-E45 VanDerWaalsContact O-N 3.08Å; T42-E45 WeakPolarHBondContact OG1-CG 3.48Å; T42-E45 PolarHBondContact OG1-N 3.07Å; T42-E45 PolarHBondContact OG1-OE2 3.02Å; T42-W46 PolarHBondContact O-N 3.48Å
43D95.1Very high86.1Confident151 Ų151129.3 Ų129.381%0.80761%0.606SS**Hα-helixtrans-56.2-31.8178.8-65.8-34.9000112.9A47D43-A47 PolarHBondContact O-N 2.97Å; D43-A47 VanDerWaalsContact O-N 3.14Å
44R95.6Very high88.6Confident173 Ų173126.1 Ų126.165%0.65359%0.594SS**Hα-helixtrans-69.9-48.2175.8-178.1178.664.8136.82.4111.9T42 W46 A47 E48T42-R44 PolarHBondContact O-N 3.25Å; T42-R44 VanDerWaalsContact O-N 3.11Å; R44-W46 VanDerWaalsContact C-N 3.3Å; R44-W46 PolarHBondContact O-N 3.32Å; R44-A47 PolarHBondContact O-N 3.12Å; R44-E48 WeakPolarHBondContact O-CG 3.42Å; R44-E48 PolarHBondContact O-N 3.47Å
45E95.3Very high90.8Very high73 Ų73123.2 Ų123.234%0.34158%0.581SS.*Hα-helixtrans-65-37.5178.7-68.7159.6152.100110.8L41 T42 A47 E48 E49L41-E45 HydrophobicContact CB-CB 4.13Å; L41-E45 HydrophobicContact CD2-CB 4.01Å; T42-E45 WeakPolarHBondContact CB-OE2 3.37Å; T42-E45 WeakPolarHBondContact CG2-OE2 3.48Å; T42-E45 PolarHBondContact N-OE2 3.09Å; T42-E45 PolarHBondContact O-N 3.41Å; T42-E45 VanDerWaalsContact O-N 3.08Å; T42-E45 WeakPolarHBondContact OG1-CG 3.48Å; T42-E45 PolarHBondContact OG1-N 3.07Å; T42-E45 PolarHBondContact OG1-OE2 3.02Å; E45-A47 VanDerWaalsContact C-N 3.35Å; E45-A47 PolarHBondContact O-N 3.3Å; E45-E48 PolarHBondContact O-N 3.19Å; E45-E49 WeakPolarHBondContact O-CB 3.49Å; E45-E49 WeakPolarHBondContact O-CG 3.36Å; E45-E49 PolarHBondContact O-N 3.36Å
46W96.9Very high92.7Very high125 Ų125119.7 Ų119.747%0.47357%0.566SS.*Hα-helixtrans-56.3-47.2170.6-97.3109.6000112.3L41 T42 R44 E48 E49 W50L41-W46 VanDerWaalsContact CB-CD1 3.4Å; L41-W46 HydrophobicContact CB-CD2 4.5Å; L41-W46 HydrophobicContact CB-CG 3.99Å; L41-W46 HydrophobicContact CD1-CD2 4.16Å; L41-W46 HydrophobicContact CD1-CG 4.31Å; T42-W46 PolarHBondContact O-N 3.48Å; R44-W46 VanDerWaalsContact C-N 3.3Å; R44-W46 PolarHBondContact O-N 3.32Å; W46-E48 VanDerWaalsContact C-N 3.33Å; W46-E48 PolarHBondContact O-N 2.99Å; W46-E49 PolarHBondContact O-N 3.33Å; W46-W50 AromaticContact CE3-CD1 3.68Å; W46-W50 AromaticContact CE3-NE1 3.23Å; W46-W50 AromaticContact CZ3-CE2 3.95Å; W46-W50 HydrophobicContact CZ3-CZ2 4.18Å; W46-W50 AromaticContact CZ3-NE1 3.38Å; W46-W50 PolarHBondContact O-N 2.9Å
47A97.1Very high94.2Very high61 Ų61115.8 Ų115.850%0.50455%0.548SS..Hα-helixtrans-64.3-38.1178.900000112.4D43 R44 E45 K51D43-A47 PolarHBondContact O-N 2.97Å; D43-A47 VanDerWaalsContact O-N 3.14Å; R44-A47 PolarHBondContact O-N 3.12Å; E45-A47 VanDerWaalsContact C-N 3.35Å; E45-A47 PolarHBondContact O-N 3.3Å; A47-K51 WeakPolarHBondContact O-CB 3.34Å; A47-K51 PolarHBondContact O-N 2.87Å
48E97.1Very high95.2Very high108 Ų108113.1 Ų113.151%0.50554%0.536SS..Hα-helixtrans-67.2-43.5176.9-72.1175.3-168.500111.9R44 E45 W46 K51 H52R44-E48 WeakPolarHBondContact O-CG 3.42Å; R44-E48 PolarHBondContact O-N 3.47Å; E45-E48 PolarHBondContact O-N 3.19Å; W46-E48 VanDerWaalsContact C-N 3.33Å; W46-E48 PolarHBondContact O-N 2.99Å; E48-K51 CarbonylContact O-C 3.6Å; E48-K51 WeakPolarHBondContact O-CB 3.46Å; E48-K51 PolarHBondContact O-N 2.87Å; E48-H52 WeakPolarHBondContact O-CB 3.47Å; E48-H52 PolarHBondContact O-N 3.23Å
49E96.8Very high96.2Very high98 Ų98110 Ų11046%0.45852%0.522SS..Hα-helixtrans-63.8-42.7176.2-75.4-65.1103.800111.9L41 E45 W46 K51 H52 L53L41-E49 HydrophobicContact CD1-CG 4.17Å; E45-E49 WeakPolarHBondContact O-CB 3.49Å; E45-E49 WeakPolarHBondContact O-CG 3.36Å; E45-E49 PolarHBondContact O-N 3.36Å; W46-E49 PolarHBondContact O-N 3.33Å; E49-K51 VanDerWaalsContact C-N 3.32Å; E49-K51 PolarHBondContact O-N 3.12Å; E49-H52 WeakPolarHBondContact O-CB 3.33Å; E49-H52 PolarHBondContact O-N 2.93Å; E49-H52 VanDerWaalsContact O-N 3.14Å; E49-L53 WeakPolarHBondContact O-CG 3.35Å; E49-L53 PolarHBondContact O-N 3.27Å
50W98.1Very high96.8Very high161 Ų161107 Ų10761%0.6151%0.511SS*.Hα-helixtrans-60.8-42.4174.1-83.6116.4000112.3W46 H52 L53 D54W46-W50 AromaticContact CE3-CD1 3.68Å; W46-W50 AromaticContact CE3-NE1 3.23Å; W46-W50 AromaticContact CZ3-CE2 3.95Å; W46-W50 HydrophobicContact CZ3-CZ2 4.18Å; W46-W50 AromaticContact CZ3-NE1 3.38Å; W46-W50 PolarHBondContact O-N 2.9Å; W50-H52 VanDerWaalsContact C-N 3.32Å; W50-L53 HydrophobicContact CE3-CD1 4.16Å; W50-L53 HydrophobicContact CZ3-CD1 4.31Å; W50-L53 PolarHBondContact O-N 2.92Å; W50-D54 PolarHBondContact O-N 3.37Å
51K98.3Very high97.2Very high158 Ų158102.6 Ų102.669%0.68750%0.5SS*.Hα-helixtrans-64.7-37.9174.3-178.3-176.5174.9-174.60111.5A47 E48 E49 D54 H55A47-K51 WeakPolarHBondContact O-CB 3.34Å; A47-K51 PolarHBondContact O-N 2.87Å; E48-K51 CarbonylContact O-C 3.6Å; E48-K51 WeakPolarHBondContact O-CB 3.46Å; E48-K51 PolarHBondContact O-N 2.87Å; E49-K51 VanDerWaalsContact C-N 3.32Å; E49-K51 PolarHBondContact O-N 3.12Å; K51-D54 PolarHBondContact O-N 3.34Å; K51-H55 WeakPolarHBondContact O-CB 3.29Å; K51-H55 PolarHBondContact O-N 3.47Å
52H98.3Very high97.6Very high93 Ų93102.3 Ų102.343%0.43150%0.499SS..Hα-helixtrans-64.3-45176.7-174.163.6000111.1E48 E49 W50 H55 L56E48-H52 WeakPolarHBondContact O-CB 3.47Å; E48-H52 PolarHBondContact O-N 3.23Å; E49-H52 WeakPolarHBondContact O-CB 3.33Å; E49-H52 PolarHBondContact O-N 2.93Å; E49-H52 VanDerWaalsContact O-N 3.14Å; W50-H52 VanDerWaalsContact C-N 3.32Å; H52-H55 PolarHBondContact O-N 2.81Å; H52-L56 WeakPolarHBondContact NE2-CD1 3.45Å; H52-L56 WeakPolarHBondContact O-CG 3.32Å; H52-L56 PolarHBondContact O-N 3.12Å
53L98.7Very high97.8Very high82 Ų82104.1 Ų104.143%0.42950%0.504SS..Hα-helixtrans-59.6-47.1174.4-71.9174.7000111.9E49 W50 H55 L56 L57E49-L53 WeakPolarHBondContact O-CG 3.35Å; E49-L53 PolarHBondContact O-N 3.27Å; W50-L53 HydrophobicContact CE3-CD1 4.16Å; W50-L53 HydrophobicContact CZ3-CD1 4.31Å; W50-L53 PolarHBondContact O-N 2.92Å; L53-H55 VanDerWaalsContact C-N 3.31Å; L53-H55 PolarHBondContact O-N 3.36Å; L53-L56 PolarHBondContact O-N 2.7Å; L53-L57 WeakPolarHBondContact O-CG 3.49Å; L53-L57 PolarHBondContact O-N 3.31Å
54D98.6Very high98Very high93 Ų93101.4 Ų101.450%0.49749%0.493SS..Hα-helixtrans-57.8-45.3175.3179.876.7000111.4W50 K51 L56 L57 N58W50-D54 PolarHBondContact O-N 3.37Å; K51-D54 PolarHBondContact O-N 3.34Å; D54-L56 PolarHBondContact O-N 3.5Å; D54-L57 PolarHBondContact O-N 3.02Å; D54-N58 WeakPolarHBondContact O-CB 3.4Å; D54-N58 VanDerWaalsContact O-CG 3.31Å; D54-N58 PolarHBondContact O-N 2.97Å; D54-N58 PolarHBondContact O-ND2 3.19Å; D54-N58 PolarHBondContact OD2-ND2 3.11Å
55H98.6Very high98.2Very high111 Ų11195.2 Ų95.251%0.51447%0.471SS..Hα-helixtrans-62.6-42.2177.2-175.864.5000112.9K51 H52 L53 N58 C59K51-H55 WeakPolarHBondContact O-CB 3.29Å; K51-H55 PolarHBondContact O-N 3.47Å; H52-H55 PolarHBondContact O-N 2.81Å; L53-H55 VanDerWaalsContact C-N 3.31Å; L53-H55 PolarHBondContact O-N 3.36Å; H55-N58 PolarHBondContact O-N 2.73Å; H55-C59 PolarHBondContact O-N 3.29Å; H55-C59 PolarHBondContact O-SG 3.38Å
56L98.8Very high98.3Very high76 Ų7696.8 Ų96.840%0.39848%0.477SS..Hα-helixtrans-62.8-44.5176.8-74.1177.7000111.8H52 L53 D54 N58 C59 I60H52-L56 WeakPolarHBondContact NE2-CD1 3.45Å; H52-L56 WeakPolarHBondContact O-CG 3.32Å; H52-L56 PolarHBondContact O-N 3.12Å; L53-L56 PolarHBondContact O-N 2.7Å; D54-L56 PolarHBondContact O-N 3.5Å; L56-N58 VanDerWaalsContact C-N 3.32Å; L56-N58 PolarHBondContact O-N 3.24Å; L56-C59 WeakPolarHBondContact O-CB 3.27Å; L56-C59 PolarHBondContact O-N 3.22Å; L56-I60 WeakPolarHBondContact O-CG1 3.44Å; L56-I60 PolarHBondContact O-N 2.97Å
57L98.8Very high98.4Very high106 Ų10694.7 Ų94.756%0.55548%0.478SS*.Hα-helixtrans-62.4-42.5176.5-68.4175.7000111.1L53 D54 C59 I60 M61L53-L57 WeakPolarHBondContact O-CG 3.49Å; L53-L57 PolarHBondContact O-N 3.31Å; D54-L57 PolarHBondContact O-N 3.02Å; L57-C59 VanDerWaalsContact C-N 3.33Å; L57-C59 PolarHBondContact O-N 3.41Å; L57-I60 PolarHBondContact O-N 3.26Å; L57-M61 WeakPolarHBondContact O-CG 3.46Å; L57-M61 PolarHBondContact O-N 3.13Å
58N98.6Very high98.5Very high72 Ų7299 Ų9939%0.38548%0.481SS..Hα-helixtrans-61-40.6173.9-76-43.5000112.3D54 H55 L56 M61 D62D54-N58 WeakPolarHBondContact O-CB 3.4Å; D54-N58 VanDerWaalsContact O-CG 3.31Å; D54-N58 PolarHBondContact O-N 2.97Å; D54-N58 PolarHBondContact O-ND2 3.19Å; D54-N58 PolarHBondContact OD2-ND2 3.11Å; H55-N58 PolarHBondContact O-N 2.73Å; L56-N58 VanDerWaalsContact C-N 3.32Å; L56-N58 PolarHBondContact O-N 3.24Å; N58-M61 PolarHBondContact O-N 3.09Å; N58-M61 WeakPolarHBondContact OD1-CE 3.45Å; N58-D62 WeakPolarHBondContact O-CB 3.38Å; N58-D62 PolarHBondContact O-N 3.34Å
59C98.8Very high98.6Very high50 Ų50100.6 Ų100.634%0.33848%0.483SS..Hα-helixtrans-63.3-42.7174.6-70.80000112.1H55 L56 L57 D62 M63H55-C59 PolarHBondContact O-N 3.29Å; H55-C59 PolarHBondContact O-SG 3.38Å; L56-C59 WeakPolarHBondContact O-CB 3.27Å; L56-C59 PolarHBondContact O-N 3.22Å; L57-C59 VanDerWaalsContact C-N 3.33Å; L57-C59 PolarHBondContact O-N 3.41Å; C59-D62 PolarHBondContact O-N 2.96Å; C59-M63 VanDerWaalsContact O-CG 3.28Å; C59-M63 WeakPolarHBondContact O-CG 3.41Å; C59-M63 PolarHBondContact O-N 3.49Å
60I98.8Very high98.7Very high103 Ų10399 Ų9953%0.52848%0.482SS..Hα-helixtrans-61.4-48.6176.6-68.6165.2000110.1L56 L57 D62 M63 V64L56-I60 WeakPolarHBondContact O-CG1 3.44Å; L56-I60 PolarHBondContact O-N 2.97Å; L57-I60 PolarHBondContact O-N 3.26Å; I60-D62 VanDerWaalsContact C-N 3.32Å; I60-D62 PolarHBondContact O-N 2.94Å; I60-M63 PolarHBondContact O-N 3.09Å; I60-V64 WeakPolarHBondContact O-CG2 3.42Å; I60-V64 PolarHBondContact O-N 2.73Å
61M98.7Very high98.7Very high115 Ų11595.4 Ų95.457%0.56747%0.474SS*.Hα-helixtrans-59.2-42.8177.9-70.8-169.5-62.100112L57 N58 V64 E65L57-M61 WeakPolarHBondContact O-CG 3.46Å; L57-M61 PolarHBondContact O-N 3.13Å; N58-M61 PolarHBondContact O-N 3.09Å; N58-M61 WeakPolarHBondContact OD1-CE 3.45Å; M61-V64 PolarHBondContact O-N 2.82Å; M61-E65 WeakPolarHBondContact O-CB 3.07Å; M61-E65 PolarHBondContact O-N 3.5Å
62D98.8Very high98.7Very high65 Ų6591.1 Ų91.135%0.34846%0.461SS..Hα-helixtrans-64.2-40.8177.2-179.656.8000112.3N58 C59 I60 E65 K66N58-D62 WeakPolarHBondContact O-CB 3.38Å; N58-D62 PolarHBondContact O-N 3.34Å; C59-D62 PolarHBondContact O-N 2.96Å; I60-D62 VanDerWaalsContact C-N 3.32Å; I60-D62 PolarHBondContact O-N 2.94Å; D62-E65 PolarHBondContact O-N 2.94Å; D62-K66 WeakPolarHBondContact O-CB 3.35Å; D62-K66 VanDerWaalsContact O-CG 3.3Å; D62-K66 WeakPolarHBondContact O-CG 3.43Å; D62-K66 PolarHBondContact O-N 3.36Å; D62-K66 WeakPolarHBondContact OD2-CE 3.3Å; D62-K66 IonicContact OD2-NZ 3.5Å; D62-K66 PolarHBondContact OD2-NZ 2.91Å
63M98.9Very high98.8Very high113 Ų11390.9 Ų90.956%0.55747%0.466SS*.Hα-helixtrans-64.4-40.7175.4-69.4-63.5170.300112.1C59 I60 E65 K66 T67C59-M63 VanDerWaalsContact O-CG 3.28Å; C59-M63 WeakPolarHBondContact O-CG 3.41Å; C59-M63 PolarHBondContact O-N 3.49Å; I60-M63 PolarHBondContact O-N 3.09Å; M63-E65 VanDerWaalsContact C-N 3.34Å; M63-K66 PolarHBondContact O-N 3Å; M63-K66 HydrophobicContact SD-CD 4.44Å; M63-T67 WeakPolarHBondContact O-CB 3.49Å; M63-T67 PolarHBondContact O-N 3.46Å; M63-T67 PolarHBondContact O-OG1 3.44Å
64V98.9Very high98.8Very high94 Ų9491.9 Ų91.957%0.5747%0.471SS*.Hα-helixtrans-62.4-44.3174.3171.10000110.4I60 M61 T67 R68I60-V64 WeakPolarHBondContact O-CG2 3.42Å; I60-V64 PolarHBondContact O-N 2.73Å; M61-V64 PolarHBondContact O-N 2.82Å; V64-T67 WeakPolarHBondContact O-CB 3.46Å; V64-T67 PolarHBondContact O-N 2.94Å; V64-R68 PolarHBondContact O-N 2.9Å
65E98.8Very high98.8Very high43 Ų4395.2 Ų95.220%0.20148%0.477CS..Hα-helixtrans-67.8-40.3-179.6179.358.9-166.100112.3M61 D62 M63 T67 R68 R69M61-E65 WeakPolarHBondContact O-CB 3.07Å; M61-E65 PolarHBondContact O-N 3.5Å; D62-E65 PolarHBondContact O-N 2.94Å; M63-E65 VanDerWaalsContact C-N 3.34Å; E65-T67 VanDerWaalsContact C-N 3.3Å; E65-T67 PolarHBondContact O-N 3.23Å; E65-R68 VanDerWaalsContact CD-NH2 3.3Å; E65-R68 WeakPolarHBondContact O-CB 3.06Å; E65-R68 PolarHBondContact O-N 3.23Å; E65-R68 IonicContact OE1-CZ 3.09Å; E65-R68 IonicContact OE1-NE 2.64Å; E65-R68 PolarHBondContact OE1-NE 2.91Å; E65-R68 IonicContact OE1-NH2 2.73Å; E65-R68 PolarHBondContact OE1-NH2 3.39Å; E65-R68 IonicContact OE2-CZ 3.91Å; E65-R68 VanDerWaalsContact OE2-CZ 3.24Å; E65-R68 IonicContact OE2-NE 2.7Å; E65-R68 PolarHBondContact OE2-NE 2.86Å; E65-R68 IonicContact OE2-NH2 3.52Å; E65-R68 PolarHBondContact OE2-NH2 2.64Å; E65-R68 VanDerWaalsContact OE2-NH2 3.09Å; E65-R69 WeakPolarHBondContact O-CG 3.4Å; E65-R69 PolarHBondContact O-N 2.99Å; E65-R69 IonicContact OE1-CZ 3.04Å; E65-R69 IonicContact OE1-NE 3.12Å; E65-R69 PolarHBondContact OE1-NE 3.4Å; E65-R69 VanDerWaalsContact OE1-NE 3.12Å; E65-R69 IonicContact OE1-NH1 3.24Å; E65-R69 IonicContact OE1-NH2 2.73Å; E65-R69 PolarHBondContact OE1-NH2 3.4Å
66K98.6Very high98.8Very high105 Ų10598 Ų9846%0.45748%0.483SS..Hα-helixtrans-59.2-43.5171.1-78169.4174.4164.90111.2D62 M63 R69 S70D62-K66 WeakPolarHBondContact O-CB 3.35Å; D62-K66 VanDerWaalsContact O-CG 3.3Å; D62-K66 WeakPolarHBondContact O-CG 3.43Å; D62-K66 PolarHBondContact O-N 3.36Å; D62-K66 WeakPolarHBondContact OD2-CE 3.3Å; D62-K66 IonicContact OD2-NZ 3.5Å; D62-K66 PolarHBondContact OD2-NZ 2.91Å; M63-K66 PolarHBondContact O-N 3Å; M63-K66 HydrophobicContact SD-CD 4.44Å; K66-R69 PolarHBondContact O-N 2.94Å; K66-S70 WeakPolarHBondContact O-CB 3.4Å; K66-S70 PolarHBondContact O-N 2.96Å
67T98.9Very high98.8Very high81 Ų8197.5 Ų97.550%0.49749%0.485SS..Hα-helixtrans-62.1-45.1176.2-57.50000111M63 V64 E65 R69 S70 L71M63-T67 WeakPolarHBondContact O-CB 3.49Å; M63-T67 PolarHBondContact O-N 3.46Å; M63-T67 PolarHBondContact O-OG1 3.44Å; V64-T67 WeakPolarHBondContact O-CB 3.46Å; V64-T67 PolarHBondContact O-N 2.94Å; E65-T67 VanDerWaalsContact C-N 3.3Å; E65-T67 PolarHBondContact O-N 3.23Å; T67-R69 VanDerWaalsContact C-N 3.34Å; T67-R69 PolarHBondContact O-N 2.94Å; T67-S70 WeakPolarHBondContact O-CB 3.38Å; T67-S70 PolarHBondContact O-N 3.24Å; T67-L71 HydrophobicContact CG2-CD1 4.24Å; T67-L71 HydrophobicContact CG2-CG 4.46Å; T67-L71 WeakPolarHBondContact O-CG 3.4Å; T67-L71 PolarHBondContact O-N 3.26Å
68R98.8Very high98.8Very high153 Ų15398.5 Ų98.558%0.57749%0.487SS*.Hα-helixtrans-56.8-46.3176.6-172.1178.974127.30.7112V64 E65 L71 T72V64-R68 PolarHBondContact O-N 2.9Å; E65-R68 VanDerWaalsContact CD-NH2 3.3Å; E65-R68 WeakPolarHBondContact O-CB 3.06Å; E65-R68 PolarHBondContact O-N 3.23Å; E65-R68 IonicContact OE1-CZ 3.09Å; E65-R68 IonicContact OE1-NE 2.64Å; E65-R68 PolarHBondContact OE1-NE 2.91Å; E65-R68 IonicContact OE1-NH2 2.73Å; E65-R68 PolarHBondContact OE1-NH2 3.39Å; E65-R68 IonicContact OE2-CZ 3.91Å; E65-R68 VanDerWaalsContact OE2-CZ 3.24Å; E65-R68 IonicContact OE2-NE 2.7Å; E65-R68 PolarHBondContact OE2-NE 2.86Å; E65-R68 IonicContact OE2-NH2 3.52Å; E65-R68 PolarHBondContact OE2-NH2 2.64Å; E65-R68 VanDerWaalsContact OE2-NH2 3.09Å; R68-L71 PolarHBondContact O-N 3.28Å; R68-T72 PolarHBondContact O-N 2.78Å; R68-T72 PolarHBondContact O-OG1 2.97Å
69R98.8Very high98.7Very high141 Ų14199.7 Ų99.753%0.53249%0.49SS..Hα-helixtrans-64.7-44.7177-69.7177.9-175.4131.17112E65 K66 T67 L71 T72 V73E65-R69 WeakPolarHBondContact O-CG 3.4Å; E65-R69 PolarHBondContact O-N 2.99Å; E65-R69 IonicContact OE1-CZ 3.04Å; E65-R69 IonicContact OE1-NE 3.12Å; E65-R69 PolarHBondContact OE1-NE 3.4Å; E65-R69 VanDerWaalsContact OE1-NE 3.12Å; E65-R69 IonicContact OE1-NH1 3.24Å; E65-R69 IonicContact OE1-NH2 2.73Å; E65-R69 PolarHBondContact OE1-NH2 3.4Å; K66-R69 PolarHBondContact O-N 2.94Å; T67-R69 VanDerWaalsContact C-N 3.34Å; T67-R69 PolarHBondContact O-N 2.94Å; R69-L71 VanDerWaalsContact C-N 3.32Å; R69-L71 PolarHBondContact O-N 3.36Å; R69-T72 WeakPolarHBondContact O-CB 3.44Å; R69-T72 PolarHBondContact O-N 2.93Å; R69-T72 VanDerWaalsContact O-N 3.11Å; R69-V73 PolarHBondContact O-N 3.46Å
70S98.8Very high98.7Very high63 Ų6399.7 Ų99.744%0.44149%0.494SS..Hα-helixtrans-57.3-44.9176-177.90000111.8K66 T67 T72 V73 L74K66-S70 WeakPolarHBondContact O-CB 3.4Å; K66-S70 PolarHBondContact O-N 2.96Å; T67-S70 WeakPolarHBondContact O-CB 3.38Å; T67-S70 PolarHBondContact O-N 3.24Å; S70-T72 VanDerWaalsContact C-N 3.27Å; S70-T72 PolarHBondContact O-N 3.23Å; S70-V73 WeakPolarHBondContact O-CB 3.28Å; S70-V73 PolarHBondContact O-N 2.88Å; S70-V73 VanDerWaalsContact O-N 3.09Å; S70-L74 PolarHBondContact O-N 3.25Å
71L98.8Very high98.7Very high87 Ų8799.8 Ų99.846%0.45550%0.495SS..Hα-helixtrans-62.2-32.5177-71.2174000113.1T67 R68 R69 L74 R75T67-L71 HydrophobicContact CG2-CD1 4.24Å; T67-L71 HydrophobicContact CG2-CG 4.46Å; T67-L71 WeakPolarHBondContact O-CG 3.4Å; T67-L71 PolarHBondContact O-N 3.26Å; R68-L71 PolarHBondContact O-N 3.28Å; R69-L71 VanDerWaalsContact C-N 3.32Å; R69-L71 PolarHBondContact O-N 3.36Å; L71-L74 HydrophobicContact CD2-CD1 4.32Å; L71-L74 PolarHBondContact O-N 3.24Å; L71-R75 WeakPolarHBondContact O-CB 3.36Å; L71-R75 VanDerWaalsContact O-CG 3.27Å; L71-R75 WeakPolarHBondContact O-CG 3.4Å; L71-R75 PolarHBondContact O-N 2.93Å
72T98.7Very high98.7Very high67 Ų67100.5 Ų100.541%0.41149%0.492SS..Hα-helixtrans-65.9-41.3174.6-59.90000111.3R68 R69 S70 R76R68-T72 PolarHBondContact O-N 2.78Å; R68-T72 PolarHBondContact O-OG1 2.97Å; R69-T72 WeakPolarHBondContact O-CB 3.44Å; R69-T72 PolarHBondContact O-N 2.93Å; R69-T72 VanDerWaalsContact O-N 3.11Å; S70-T72 VanDerWaalsContact C-N 3.27Å; S70-T72 PolarHBondContact O-N 3.23Å; T72-R76 WeakPolarHBondContact O-CG 3.49Å; T72-R76 PolarHBondContact O-N 3.34Å
73V98.8Very high98.7Very high89 Ų89103.1 Ų103.154%0.53950%0.502SS..Hα-helixtrans-63.9-48.2175.2177.80000110.4R69 S70 R75 R76 C77R69-V73 PolarHBondContact O-N 3.46Å; S70-V73 WeakPolarHBondContact O-CB 3.28Å; S70-V73 PolarHBondContact O-N 2.88Å; S70-V73 VanDerWaalsContact O-N 3.09Å; V73-R75 VanDerWaalsContact C-N 3.31Å; V73-R75 PolarHBondContact O-N 2.93Å; V73-R76 PolarHBondContact O-N 2.88Å; V73-R76 VanDerWaalsContact O-N 3.13Å; V73-C77 PolarHBondContact O-N 3.34Å; V73-C77 PolarHBondContact O-SG 2.96Å; V73-C77 VanDerWaalsContact O-SG 3.36Å
74L98.8Very high98.7Very high102 Ų102102.9 Ų102.953%0.53450%0.5SS..Hα-helixtrans-59.1-40.5179.2-71.5172000112.7S70 L71 C77 Q78S70-L74 PolarHBondContact O-N 3.25Å; L71-L74 HydrophobicContact CD2-CD1 4.32Å; L71-L74 PolarHBondContact O-N 3.24Å; L74-C77 PolarHBondContact O-N 2.97Å; L74-Q78 WeakPolarHBondContact O-CB 3.34Å; L74-Q78 PolarHBondContact O-N 3.42Å
75R98.7Very high98.6Very high163 Ų163103.5 Ų103.562%0.61550%0.499SS*.Hα-helixtrans-62.3-43.5175.6-76.2177-176.2-144.51.8112.2L71 V73 Q78 E79L71-R75 WeakPolarHBondContact O-CB 3.36Å; L71-R75 VanDerWaalsContact O-CG 3.27Å; L71-R75 WeakPolarHBondContact O-CG 3.4Å; L71-R75 PolarHBondContact O-N 2.93Å; V73-R75 VanDerWaalsContact C-N 3.31Å; V73-R75 PolarHBondContact O-N 2.93Å; R75-Q78 WeakPolarHBondContact O-CB 3.36Å; R75-Q78 PolarHBondContact O-N 3.36Å; R75-E79 WeakPolarHBondContact O-CG 3.42Å; R75-E79 PolarHBondContact O-N 3.2Å
76R98.7Very high98.6Very high171 Ų171104 Ų10465%0.64550%0.503SS*.Hα-helixtrans-64.2-41.5176.9-70.8177.3-179.8-177.9-0112.1T72 V73 Q78 E79 A80T72-R76 WeakPolarHBondContact O-CG 3.49Å; T72-R76 PolarHBondContact O-N 3.34Å; V73-R76 PolarHBondContact O-N 2.88Å; V73-R76 VanDerWaalsContact O-N 3.13Å; R76-Q78 VanDerWaalsContact C-N 3.35Å; R76-E79 PolarHBondContact O-N 3.2Å; R76-A80 PolarHBondContact O-N 3.45Å
77C98.6Very high98.6Very high65 Ų65104.4 Ų104.444%0.43950%0.503SS..Hα-helixtrans-59.4-47.6173.6-660000110.9V73 L74 E79 A80 D81V73-C77 PolarHBondContact O-N 3.34Å; V73-C77 PolarHBondContact O-SG 2.96Å; V73-C77 VanDerWaalsContact O-SG 3.36Å; L74-C77 PolarHBondContact O-N 2.97Å; C77-E79 VanDerWaalsContact C-N 3.32Å; C77-E79 PolarHBondContact O-N 3.48Å; C77-A80 PolarHBondContact O-N 3.14Å; C77-D81 VanDerWaalsContact O-CG 3.23Å; C77-D81 PolarHBondContact O-N 3.41Å
78Q98.6Very high98.5Very high127 Ų127107 Ų10759%0.59350%0.503SS*.Hα-helixtrans-59.8-40.8177.3-171.4-147.1-14.900112.6L74 R75 R76 R82L74-Q78 WeakPolarHBondContact O-CB 3.34Å; L74-Q78 PolarHBondContact O-N 3.42Å; R75-Q78 WeakPolarHBondContact O-CB 3.36Å; R75-Q78 PolarHBondContact O-N 3.36Å; R76-Q78 VanDerWaalsContact C-N 3.35Å; Q78-R82 WeakPolarHBondContact O-CB 3.42Å; Q78-R82 PolarHBondContact O-N 2.92Å
79E98.6Very high98.4Very high97 Ų97104.3 Ų104.345%0.45350%0.499SS..Hα-helixtrans-63.5-45.1176.9-75.5166.7-174.600111.5R75 R76 C77 R82 E83R75-E79 WeakPolarHBondContact O-CG 3.42Å; R75-E79 PolarHBondContact O-N 3.2Å; R76-E79 PolarHBondContact O-N 3.2Å; C77-E79 VanDerWaalsContact C-N 3.32Å; C77-E79 PolarHBondContact O-N 3.48Å; E79-R82 PolarHBondContact O-N 3.05Å; E79-E83 WeakPolarHBondContact O-CG 3.42Å; E79-E83 PolarHBondContact O-N 2.79Å
80A98.5Very high98.3Very high50 Ų50104.9 Ų104.941%0.41350%0.502SS..Hα-helixtrans-62.3-46.3176.500000112R76 C77 R82 E83 E84R76-A80 PolarHBondContact O-N 3.45Å; C77-A80 PolarHBondContact O-N 3.14Å; A80-R82 VanDerWaalsContact C-N 3.27Å; A80-R82 PolarHBondContact O-N 3.46Å; A80-E83 PolarHBondContact O-N 3.26Å; A80-E83 VanDerWaalsContact O-N 3.12Å; A80-E84 PolarHBondContact O-N 3.43Å
81D98.6Very high98.1Very high104 Ų104108.5 Ų108.556%0.55651%0.506SS*.Hα-helixtrans-59.8-40.5177.3-66.6-15000111.2C77 E84 L85C77-D81 VanDerWaalsContact O-CG 3.23Å; C77-D81 PolarHBondContact O-N 3.41Å; D81-E84 PolarHBondContact O-N 3.26Å; D81-L85 WeakPolarHBondContact O-CB 3.38Å; D81-L85 PolarHBondContact O-N 3.48Å
82R98.4Very high97.8Very high130 Ų130111.8 Ų111.849%0.49151%0.513SS..Hα-helixtrans-65.9-40.3176.2-176.5-176.763.9828.6111.6Q78 E79 A80 N86Q78-R82 WeakPolarHBondContact O-CB 3.42Å; Q78-R82 PolarHBondContact O-N 2.92Å; E79-R82 PolarHBondContact O-N 3.05Å; A80-R82 VanDerWaalsContact C-N 3.27Å; A80-R82 PolarHBondContact O-N 3.46Å; R82-N86 WeakPolarHBondContact O-CB 3.44Å; R82-N86 PolarHBondContact O-N 3.44Å; R82-N86 VanDerWaalsContact O-N 3.09Å; R82-N86 PolarHBondContact O-ND2 3.01Å
83E98.5Very high97.5Very high120 Ų120111.3 Ų111.356%0.56151%0.512SS*.Hα-helixtrans-66.2-42.2176.6-75.3174.1-172.900111.7E79 A80 N86 Y87E79-E83 WeakPolarHBondContact O-CG 3.42Å; E79-E83 PolarHBondContact O-N 2.79Å; A80-E83 PolarHBondContact O-N 3.26Å; A80-E83 VanDerWaalsContact O-N 3.12Å; E83-N86 WeakPolarHBondContact O-CB 3.39Å; E83-N86 PolarHBondContact O-N 2.85Å; E83-Y87 WeakPolarHBondContact O-CB 3.49Å; E83-Y87 PolarHBondContact O-N 3.11Å
84E98.2Very high97.1Very high109 Ų109112.1 Ų112.151%0.50951%0.514SS..Hα-helixtrans-62.3-47.2176-178.4170.6-176.600111.5A80 D81 N86 Y87 W88A80-E84 PolarHBondContact O-N 3.43Å; D81-E84 PolarHBondContact O-N 3.26Å; E84-N86 VanDerWaalsContact C-N 3.3Å; E84-N86 PolarHBondContact O-N 2.9Å; E84-Y87 WeakPolarHBondContact O-CB 3.37Å; E84-Y87 PolarHBondContact O-N 3.19Å; E84-Y87 VanDerWaalsContact O-N 3.12Å; E84-W88 PolarHBondContact O-N 2.88Å; E84-W88 PolarHBondContact OE1-NE1 3.04Å
85L98.1Very high96.4Very high106 Ų106110 Ų11056%0.55551%0.511SS*.Hα-helixtrans-57.2-45.5175.3177.661.7000111.5D81 Y87 W88 I89D81-L85 WeakPolarHBondContact O-CB 3.38Å; D81-L85 PolarHBondContact O-N 3.48Å; L85-Y87 VanDerWaalsContact C-N 3.29Å; L85-Y87 PolarHBondContact O-N 3.48Å; L85-W88 PolarHBondContact O-N 2.69Å; L85-I89 HydrophobicContact CD1-CD1 4.21Å; L85-I89 HydrophobicContact CD1-CG1 4.4Å; L85-I89 HydrophobicContact CG-CD1 3.95Å; L85-I89 VanDerWaalsContact O-CG1 3.29Å; L85-I89 WeakPolarHBondContact O-CG1 3.5Å; L85-I89 PolarHBondContact O-N 2.81Å
86N98.1Very high95.8Very high55 Ų55106.4 Ų106.429%0.29450%0.501SS..Hα-helixtrans-64.1-32.9177.9-85.1-50.5000113.2R82 E83 E84 R90R82-N86 WeakPolarHBondContact O-CB 3.44Å; R82-N86 PolarHBondContact O-N 3.44Å; R82-N86 VanDerWaalsContact O-N 3.09Å; R82-N86 PolarHBondContact O-ND2 3.01Å; E83-N86 WeakPolarHBondContact O-CB 3.39Å; E83-N86 PolarHBondContact O-N 2.85Å; E84-N86 VanDerWaalsContact C-N 3.3Å; E84-N86 PolarHBondContact O-N 2.9Å; N86-R90 WeakPolarHBondContact O-CG 3.47Å; N86-R90 PolarHBondContact O-N 3.39Å; N86-R90 PolarHBondContact O-NH1 3.08Å
87Y98.1Very high94.5Very high113 Ų113102.8 Ų102.844%0.44350%0.495SS..Hα-helixtrans-66-47.7172.8165.4-98.8000110.8E83 E84 L85 I89 R90 R91E83-Y87 WeakPolarHBondContact O-CB 3.49Å; E83-Y87 PolarHBondContact O-N 3.11Å; E84-Y87 WeakPolarHBondContact O-CB 3.37Å; E84-Y87 PolarHBondContact O-N 3.19Å; E84-Y87 VanDerWaalsContact O-N 3.12Å; L85-Y87 VanDerWaalsContact C-N 3.29Å; L85-Y87 PolarHBondContact O-N 3.48Å; Y87-I89 PolarHBondContact O-N 3.26Å; Y87-R90 PolarHBondContact O-N 3.44Å; Y87-R91 WeakPolarHBondContact O-CB 3.33Å; Y87-R91 PolarHBondContact O-N 3.03Å; Y87-R91 PolarHBondContact OH-NH1 3.14Å
88W97.8Very high93.1Very high134 Ų134106.6 Ų106.651%0.50851%0.51SS..Hα-helixtrans-64.3-39.8178.9-71.6116.6000112.9E84 L85 R90 R91 Y92E84-W88 PolarHBondContact O-N 2.88Å; E84-W88 PolarHBondContact OE1-NE1 3.04Å; L85-W88 PolarHBondContact O-N 2.69Å; W88-R90 PolarHBondContact O-N 3.44Å; W88-R91 PolarHBondContact O-N 3.31Å; W88-Y92 WeakPolarHBondContact O-CB 3.24Å; W88-Y92 PolarHBondContact O-N 3.22Å
89I95.9Very high91.4Very high97 Ų97109 Ų10950%0.49752%0.519SS..Hα-helixtrans-58-48.4175.3-70165.9000110.8L85 Y87 Y92 S93L85-I89 HydrophobicContact CD1-CD1 4.21Å; L85-I89 HydrophobicContact CD1-CG1 4.4Å; L85-I89 HydrophobicContact CG-CD1 3.95Å; L85-I89 VanDerWaalsContact O-CG1 3.29Å; L85-I89 WeakPolarHBondContact O-CG1 3.5Å; L85-I89 PolarHBondContact O-N 2.81Å; Y87-I89 PolarHBondContact O-N 3.26Å; I89-Y92 PolarHBondContact O-N 3.35Å; I89-S93 PolarHBondContact O-N 3.13Å
90R96.3Very high89.6Confident154 Ų154113.5 Ų113.558%0.58154%0.537SS*.Hα-helixtrans-62-49.4177.6-74.4-179.7-17884.5-3111.4N86 Y87 W88 Y92 S93 D94N86-R90 WeakPolarHBondContact O-CG 3.47Å; N86-R90 PolarHBondContact O-N 3.39Å; N86-R90 PolarHBondContact O-NH1 3.08Å; Y87-R90 PolarHBondContact O-N 3.44Å; W88-R90 PolarHBondContact O-N 3.44Å; R90-Y92 VanDerWaalsContact C-N 3.29Å; R90-Y92 PolarHBondContact O-N 3.5Å; R90-S93 WeakPolarHBondContact O-CB 3.34Å; R90-S93 PolarHBondContact O-N 3.45Å; R90-S93 VanDerWaalsContact O-N 3.14Å; R90-D94 VanDerWaalsContact O-CG 3.24Å; R90-D94 PolarHBondContact O-N 3.39Å
91R95.6Very high87.4Confident139 Ų139113.4 Ų113.453%0.52554%0.541SS..Hα-helixtrans-60.4-38.1-178.7-170.2174.4-174.594.88112.7Y87 W88 A95Y87-R91 WeakPolarHBondContact O-CB 3.33Å; Y87-R91 PolarHBondContact O-N 3.03Å; Y87-R91 PolarHBondContact OH-NH1 3.14Å; W88-R91 PolarHBondContact O-N 3.31Å; R91-A95 WeakPolarHBondContact O-CB 3.3Å; R91-A95 PolarHBondContact O-N 2.78Å
92Y92.8Very high85Confident155 Ų155112.3 Ų112.361%0.60855%0.554SS**Hα-helixtrans-68.4-45.3175.1-176.3-92.7000111.5W88 I89 R90 D94 A95 E96W88-Y92 WeakPolarHBondContact O-CB 3.24Å; W88-Y92 PolarHBondContact O-N 3.22Å; I89-Y92 PolarHBondContact O-N 3.35Å; R90-Y92 VanDerWaalsContact C-N 3.29Å; R90-Y92 PolarHBondContact O-N 3.5Å; Y92-D94 PolarHBondContact O-N 3.03Å; Y92-A95 PolarHBondContact O-N 2.74Å; Y92-E96 HydrophobicContact CD1-CG 4.13Å; Y92-E96 HydrophobicContact CE1-CG 3.61Å; Y92-E96 HydrophobicContact CE2-CG 4.42Å; Y92-E96 WeakPolarHBondContact O-CG 3.42Å; Y92-E96 PolarHBondContact O-N 3.01Å
93S91Very high82.7Confident57 Ų57109.1 Ų109.140%0.39956%0.562SS.*Hα-helixtrans-56.8-50.2175.7-166.80000111.7I89 R90 A95 E96 D97I89-S93 PolarHBondContact O-N 3.13Å; R90-S93 WeakPolarHBondContact O-CB 3.34Å; R90-S93 PolarHBondContact O-N 3.45Å; R90-S93 VanDerWaalsContact O-N 3.14Å; S93-A95 VanDerWaalsContact C-N 3.27Å; S93-A95 PolarHBondContact O-N 3.45Å; S93-E96 PolarHBondContact O-N 2.83Å; S93-E96 VanDerWaalsContact O-N 3.14Å; S93-D97 PolarHBondContact O-N 2.89Å
94D90.9Very high80Confident106 Ų106108.7 Ų108.757%0.56757%0.572SS**Hα-helixtrans-60.5-37.8-178.5-65.1-21.4000111.9R90 Y92 L98R90-D94 VanDerWaalsContact O-CG 3.24Å; R90-D94 PolarHBondContact O-N 3.39Å; Y92-D94 PolarHBondContact O-N 3.03Å; D94-L98 PolarHBondContact O-N 3.06Å
95A85.4Confident78.1Confident59 Ų59109.6 Ų109.649%0.48859%0.59SS.*Hα-helixtrans-69.5-37.7177.600000112.6R91 Y92 S93 K99R91-A95 WeakPolarHBondContact O-CB 3.3Å; R91-A95 PolarHBondContact O-N 2.78Å; Y92-A95 PolarHBondContact O-N 2.74Å; S93-A95 VanDerWaalsContact C-N 3.27Å; S93-A95 PolarHBondContact O-N 3.45Å; A95-K99 PolarHBondContact O-N 2.78Å
96E84.3Confident75.7Confident86 Ų86109 Ų10940%0.40260%0.595SS.*Hα-helixtrans-70.8-38.3175.8-72.3-74.389.900111.7Y92 S93 L98 K99 K100Y92-E96 HydrophobicContact CD1-CG 4.13Å; Y92-E96 HydrophobicContact CE1-CG 3.61Å; Y92-E96 HydrophobicContact CE2-CG 4.42Å; Y92-E96 WeakPolarHBondContact O-CG 3.42Å; Y92-E96 PolarHBondContact O-N 3.01Å; S93-E96 PolarHBondContact O-N 2.83Å; S93-E96 VanDerWaalsContact O-N 3.14Å; E96-L98 VanDerWaalsContact C-N 3.34Å; E96-L98 PolarHBondContact O-N 3.4Å; E96-K99 PolarHBondContact O-N 3.43Å; E96-K100 PolarHBondContact O-N 3.38Å; E96-K100 VanDerWaalsContact O-N 3.09Å
97D72.9Confident73.4Confident95 Ų95110.8 Ų110.851%0.50861%0.612SS.*Hα-helixtrans-64.9-37.6174.7-77.6-45.6000111.8S93 K99 K100 G101S93-D97 PolarHBondContact O-N 2.89Å; D97-K99 VanDerWaalsContact C-N 3.26Å; D97-K99 PolarHBondContact O-N 2.8Å; D97-K100 PolarHBondContact O-N 2.83Å; D97-G101 WeakPolarHBondContact O-CA 3.42Å; D97-G101 PolarHBondContact O-N 2.83Å
98L67.8Low70.9Confident146 Ų146115.2 Ų115.276%0.76464%0.636SS**Hα-helixtrans-64.8-31.6175.1-134.771.2000112.6D94 E96D94-L98 PolarHBondContact O-N 3.06Å; E96-L98 VanDerWaalsContact C-N 3.34Å; E96-L98 PolarHBondContact O-N 3.4Å
99K64.3Low68.7Low177 Ų177113.4 Ų113.477%0.7764%0.644SS**Hα-helixtrans-78-27177.8-164.2177.5178.1-173.30112.6A95 E96 D97A95-K99 PolarHBondContact O-N 2.78Å; E96-K99 PolarHBondContact O-N 3.43Å; D97-K99 VanDerWaalsContact C-N 3.26Å; D97-K99 PolarHBondContact O-N 2.8Å
100K60.4Low66.5Low191 Ų191120.5 Ų120.583%0.8366%0.664SS**Hα-helixtrans-91.2-18.4175.7-158175.4-179.4-1750113.2E96 D97E96-K100 PolarHBondContact O-N 3.38Å; E96-K100 VanDerWaalsContact O-N 3.09Å; D97-K100 PolarHBondContact O-N 2.83Å
101G52.1Low64.2Low49 Ų49120.3 Ų120.351%0.50567%0.67SS.*  trans-116.818.7-167.800000116.6D97 G103D97-G101 WeakPolarHBondContact O-CA 3.42Å; D97-G101 PolarHBondContact O-N 2.83Å; G101-G103 PolarHBondContact O-N 2.69Å
102G47.5Very low61.7Low81 Ų81121.5 Ų121.584%0.83568%0.682SS**SBendtrans-65.62.9172.700000115.5
103G50.9Low59.4Low63 Ų63119.1 Ų119.165%0.64969%0.687SS**SBendtrans-137.280.4177.500000111.3G101G101-G103 PolarHBondContact O-N 2.69Å
104S42.2Very low57.5Low110 Ų110122 Ų12277%0.76971%0.705SS**  trans174.294.8139.5-77.50000110.1S106S104-S106 PolarHBondContact O-N 2.95Å; S104-S106 VanDerWaalsContact O-N 3.1Å
105S58.1Low55.6Low129 Ų129123.5 Ų123.590%0.90272%0.718SS**  trans-56.2105146.450.20000108.5
106S47.3Very low53.9Low94 Ų94127.2 Ų127.266%0.65773%0.729SS**  trans-162112.3160.8-1650000112.4S104S104-S106 PolarHBondContact O-N 2.95Å; S104-S106 VanDerWaalsContact O-N 3.1Å
107S50.5Low52.5Low91 Ų91128.6 Ų128.664%0.63675%0.745SS**  trans57.188.9141.557.30000119.1
108H44.6Very low51.6Low207 Ų207131.2 Ų131.296%0.95876%0.759SS**  trans-108.561.5136.8-95.130.5000109.7
109S51.5Low51.3Low95 Ų95130 Ų13066%0.66476%0.76SS**  trans-95.193152.6-174.90000106.8
110R49.4Very low51.1Low247 Ų247128.3 Ų128.393%0.93276%0.764SS**  trans-129.697.8154.6-84.8-170.6170-110.4-0.1107.8
111Q48.6Very low50.7Low150 Ų150122.8 Ų122.870%0.70176%0.755SS**  trans-53.6152.7163.4-69.7-179.6-1.300112.3
112Q43.5Very low50.4Low164 Ų164129.1 Ų129.177%0.76678%0.776SS**  trans74.6130.2152.8-66.9167.161.700116.6
113S45.2Very low50.4Low104 Ų104132.7 Ų132.773%0.72781%0.812SS**  cis-150.5158.639.4-68.70000113.8
114P51.1Low50.4Low118 Ų118136.2 Ų136.277%0.76682%0.821SS**  trans-73.7126.617130.7-30.6000110N116P114-N116 PolarHBondContact O-N 3.18Å
115V50.3Low50.8Low138 Ų138137.5 Ų137.584%0.83682%0.823SS**  trans-76.8112.2168.460.90000108.2
116N48.6Very low50.4Low137 Ų137138 Ų13873%0.73382%0.819SS**  trans-69.1132.8165-88.3-61.3000108.8P114P114-N116 PolarHBondContact O-N 3.18Å
117P56.4Low50.6Low114 Ų114140.6 Ų140.674%0.7483%0.828SS**  trans-86.9114.9160.931.1-26.8000109.5P119P117-P119 WeakPolarHBondContact O-CD 3.27Å
118D53.4Low50.6Low150 Ų150143.7 Ų143.780%0.80284%0.84SS**  trans-77.5125.6162.1-86.2-48.2000109.5
119P61.6Low51Low120 Ų120139.5 Ų139.578%0.77983%0.832SS**  trans-93.2106.4162.732.7-23.9000108.8P117P117-P119 WeakPolarHBondContact O-CD 3.27Å
120V59.6Low50.9Low142 Ų142142.6 Ų142.686%0.86185%0.845SS**  trans-90.7113165.5-1770000108.6
121A52.3Low51Low76 Ų76134.6 Ų134.663%0.62884%0.838SS**  trans-71.7149.6175.200000112.6
122L46.1Very low51.3Low182 Ų182133.3 Ų133.395%0.95385%0.849SS**  trans41.8116.4140.4-70.3160.6000119.4
123G47Very low52Low155 Ų155130.5 Ų130.5100%1.59886%0.857SS**  trans-163.70156.100000109.6

Retrieved 123 of 123 residues in 29.8 ms (Link to these results)