C4Q4G9_SCHMA Loading...

Glycosyl transferase AlphaSync

AlphaFold DB , UniProt , Accession C4Q4G9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 76 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
1M61.6Low79.4Confident215 Ų215131.1 Ų131.1100%1.05964%0.642SS**  0-370-65.6-17883.600113.6R3 L4M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.09Å; M1-L4 PolarHBondContact O-N 3.43Å; M1-L4 VanDerWaalsContact O-N 3.12Å
2I74.5Confident79.5Confident144 Ų144132.8 Ų132.874%0.73864%0.644SS**Hα-helixtrans-54.8-39.5-177.4-63.8154.9000114L4 L5 T6I2-L4 VanDerWaalsContact C-N 3.27Å; I2-L4 PolarHBondContact O-N 3.2Å; I2-L5 PolarHBondContact O-N 3.28Å; I2-T6 HydrophobicContact CG2-CG2 4.48Å; I2-T6 PolarHBondContact O-N 3.12Å; I2-T6 VanDerWaalsContact O-N 3.09Å; I2-T6 PolarHBondContact O-OG1 3.23Å
3R74.7Confident79.5Confident221 Ų221126.5 Ų126.583%0.83463%0.627SS**Hα-helixtrans-62-31.7-180-68.3-169.3176.9-180-0.6114M1 T6 V7M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.09Å; R3-T6 WeakPolarHBondContact CA-OG1 3.36Å; R3-T6 PolarHBondContact O-OG1 3.03Å; R3-V7 WeakPolarHBondContact O-CG2 3.48Å; R3-V7 PolarHBondContact O-N 2.87Å
4L80.1Confident78.9Confident132 Ų132125.4 Ų125.469%0.69162%0.623SS**Hα-helixtrans-72.7-41.4178.8-118.4156.7000110.3M1 I2 T6 V7 V8M1-L4 PolarHBondContact O-N 3.43Å; M1-L4 VanDerWaalsContact O-N 3.12Å; I2-L4 VanDerWaalsContact C-N 3.27Å; I2-L4 PolarHBondContact O-N 3.2Å; L4-T6 PolarHBondContact O-N 3.36Å; L4-V7 PolarHBondContact O-N 3.32Å; L4-V8 WeakPolarHBondContact O-CG2 3.32Å; L4-V8 PolarHBondContact O-N 3.49Å
5L82.8Confident78.3Confident112 Ų112122.7 Ų122.759%0.58662%0.621SS**Hα-helixtrans-64.7-40.4178.8-170.7145.4000111.9I2 V7 V8 I9I2-L5 PolarHBondContact O-N 3.28Å; L5-V7 VanDerWaalsContact C-N 3.34Å; L5-V7 PolarHBondContact O-N 3.44Å; L5-V8 PolarHBondContact O-N 3.12Å; L5-I9 HydrophobicContact CD2-CD1 3.5Å; L5-I9 HydrophobicContact CD2-CG1 4.38Å; L5-I9 HydrophobicContact CG-CD1 4.46Å; L5-I9 WeakPolarHBondContact O-CG1 3.4Å; L5-I9 PolarHBondContact O-N 3.41Å; L5-I9 VanDerWaalsContact O-N 3.12Å
6T83Confident77.5Confident62 Ų62120.6 Ų120.638%0.3862%0.621SS.*Hα-helixtrans-63.2-39.7176.650.40000112.4I2 R3 L4 I9 Y10I2-T6 HydrophobicContact CG2-CG2 4.48Å; I2-T6 PolarHBondContact O-N 3.12Å; I2-T6 VanDerWaalsContact O-N 3.09Å; I2-T6 PolarHBondContact O-OG1 3.23Å; R3-T6 WeakPolarHBondContact CA-OG1 3.36Å; R3-T6 PolarHBondContact O-OG1 3.03Å; L4-T6 PolarHBondContact O-N 3.36Å; T6-I9 PolarHBondContact O-N 3.17Å; T6-Y10 WeakPolarHBondContact O-CD2 3.45Å; T6-Y10 PolarHBondContact O-N 3.47Å; T6-Y10 VanDerWaalsContact O-N 3.1Å
7V82.4Confident76.6Confident82 Ų82121.9 Ų121.950%0.49763%0.629SS.*Hα-helixtrans-66.1-41.7179.1173.50000111R3 L4 L5 I9 Y10 M11R3-V7 WeakPolarHBondContact O-CG2 3.48Å; R3-V7 PolarHBondContact O-N 2.87Å; L4-V7 PolarHBondContact O-N 3.32Å; L5-V7 VanDerWaalsContact C-N 3.34Å; L5-V7 PolarHBondContact O-N 3.44Å; V7-I9 PolarHBondContact O-N 3.31Å; V7-Y10 PolarHBondContact O-N 3.42Å; V7-M11 WeakPolarHBondContact O-CG 3.36Å; V7-M11 PolarHBondContact O-N 3.1Å
8V84.2Confident75.6Confident76 Ų76118.8 Ų118.846%0.46163%0.625SS.*Hα-helixtrans-61.7-43.9177.4174.60000111.2L4 L5 Y10 M11 F12L4-V8 WeakPolarHBondContact O-CG2 3.32Å; L4-V8 PolarHBondContact O-N 3.49Å; L5-V8 PolarHBondContact O-N 3.12Å; V8-Y10 PolarHBondContact O-N 3.44Å; V8-M11 PolarHBondContact O-N 3.3Å; V8-F12 HydrophobicContact CG1-CD2 3.98Å; V8-F12 HydrophobicContact CG1-CE2 4.08Å; V8-F12 WeakPolarHBondContact O-CD2 3.41Å; V8-F12 PolarHBondContact O-N 3.01Å; V8-F12 VanDerWaalsContact O-N 3.12Å
9I86.6Confident74.6Confident105 Ų105117.7 Ų117.754%0.53862%0.62SS.*Hα-helixtrans-61.9-44.6177.6-67.3172.7000111.3L5 T6 V7 M11 F12 A13L5-I9 HydrophobicContact CD2-CD1 3.5Å; L5-I9 HydrophobicContact CD2-CG1 4.38Å; L5-I9 HydrophobicContact CG-CD1 4.46Å; L5-I9 WeakPolarHBondContact O-CG1 3.4Å; L5-I9 PolarHBondContact O-N 3.41Å; L5-I9 VanDerWaalsContact O-N 3.12Å; T6-I9 PolarHBondContact O-N 3.17Å; V7-I9 PolarHBondContact O-N 3.31Å; I9-M11 VanDerWaalsContact C-N 3.34Å; I9-M11 PolarHBondContact O-N 3.48Å; I9-F12 PolarHBondContact O-N 2.9Å; I9-A13 PolarHBondContact O-N 3.24Å
10Y83Confident73.5Confident168 Ų168117.3 Ų117.366%0.65962%0.624SS**Hα-helixtrans-62.4-39.9178.1-94.1-75.3000112.5T6 V7 V8 A13 I14T6-Y10 WeakPolarHBondContact O-CD2 3.45Å; T6-Y10 PolarHBondContact O-N 3.47Å; T6-Y10 VanDerWaalsContact O-N 3.1Å; V7-Y10 PolarHBondContact O-N 3.42Å; V8-Y10 PolarHBondContact O-N 3.44Å; Y10-A13 PolarHBondContact O-N 3.32Å; Y10-I14 WeakPolarHBondContact O-CG1 3.33Å; Y10-I14 PolarHBondContact O-N 3.02Å
11M81Confident72.2Confident125 Ų125121.1 Ų121.162%0.61664%0.638SS**Hα-helixtrans-64-41.9177.2-71.1-65.1-178.400112.1V7 V8 I9 I14 S15V7-M11 WeakPolarHBondContact O-CG 3.36Å; V7-M11 PolarHBondContact O-N 3.1Å; V8-M11 PolarHBondContact O-N 3.3Å; I9-M11 VanDerWaalsContact C-N 3.34Å; I9-M11 PolarHBondContact O-N 3.48Å; M11-I14 PolarHBondContact O-N 3.12Å; M11-S15 WeakPolarHBondContact O-CB 3.49Å; M11-S15 PolarHBondContact O-N 3.43Å
12F80.7Confident71.3Confident151 Ų151113.1 Ų113.166%0.66261%0.61SS**Hα-helixtrans-64.8-37.9174.7-92.2-78.6000112.6V8 I9 S15 S16V8-F12 HydrophobicContact CG1-CD2 3.98Å; V8-F12 HydrophobicContact CG1-CE2 4.08Å; V8-F12 WeakPolarHBondContact O-CD2 3.41Å; V8-F12 PolarHBondContact O-N 3.01Å; V8-F12 VanDerWaalsContact O-N 3.12Å; I9-F12 PolarHBondContact O-N 2.9Å; F12-S15 PolarHBondContact O-N 3.33Å; F12-S16 WeakPolarHBondContact O-CB 3.39Å; F12-S16 PolarHBondContact O-N 3.17Å; F12-S16 PolarHBondContact O-OG 3.13Å
13A78.4Confident70.1Confident52 Ų52115.5 Ų115.543%0.4361%0.611SS.*Hα-helixtrans-65.4-41.3176.800000112.2I9 Y10 S16 N17I9-A13 PolarHBondContact O-N 3.24Å; Y10-A13 PolarHBondContact O-N 3.32Å; A13-S16 WeakPolarHBondContact CA-OG 3.38Å; A13-S16 PolarHBondContact O-OG 2.77Å; A13-S16 VanDerWaalsContact O-OG 3.13Å; A13-N17 WeakPolarHBondContact O-CB 3.3Å; A13-N17 PolarHBondContact O-N 2.92Å; A13-N17 VanDerWaalsContact O-N 3.17Å
14I71.9Confident68.8Low110 Ų110113.1 Ų113.156%0.56461%0.614SS**Hα-helixtrans-68.9-41.6177.1-64.4164.8000110.4Y10 M11 N17 A18Y10-I14 WeakPolarHBondContact O-CG1 3.33Å; Y10-I14 PolarHBondContact O-N 3.02Å; M11-I14 PolarHBondContact O-N 3.12Å; I14-N17 PolarHBondContact O-N 3.42Å; I14-A18 VanDerWaalsContact O-CB 3.3Å; I14-A18 WeakPolarHBondContact O-CB 3.38Å; I14-A18 PolarHBondContact O-N 3.25Å
15S69.6Low67.2Low86 Ų86114.9 Ų114.960%0.60162%0.616SS**Hα-helixtrans-65.2-39.1177.8169.80000113.2M11 F12 A18M11-S15 WeakPolarHBondContact O-CB 3.49Å; M11-S15 PolarHBondContact O-N 3.43Å; F12-S15 PolarHBondContact O-N 3.33Å; S15-A18 PolarHBondContact O-N 3.45Å
16S65.4Low65.7Low88 Ų88113.4 Ų113.462%0.61562%0.615SS**Hα-helixtrans-74.4-27.7179.550.40000112.8F12 A13F12-S16 WeakPolarHBondContact O-CB 3.39Å; F12-S16 PolarHBondContact O-N 3.17Å; F12-S16 PolarHBondContact O-OG 3.13Å; A13-S16 WeakPolarHBondContact CA-OG 3.38Å; A13-S16 PolarHBondContact O-OG 2.77Å; A13-S16 VanDerWaalsContact O-OG 3.13Å
17N62.9Low64.1Low143 Ų143118.4 Ų118.477%0.76563%0.634SS**Hα-helixtrans-86.4-15.7175-157.219.6000113A13 I14 N19A13-N17 WeakPolarHBondContact O-CB 3.3Å; A13-N17 PolarHBondContact O-N 2.92Å; A13-N17 VanDerWaalsContact O-N 3.17Å; I14-N17 PolarHBondContact O-N 3.42Å; N17-N19 PolarHBondContact O-N 2.96Å
18A57.4Low62.9Low66 Ų66120.9 Ų120.955%0.54564%0.643SS.*  trans-77.963.4170.900000110.4I14 S15 P20I14-A18 VanDerWaalsContact O-CB 3.3Å; I14-A18 WeakPolarHBondContact O-CB 3.38Å; I14-A18 PolarHBondContact O-N 3.25Å; S15-A18 PolarHBondContact O-N 3.45Å; A18-P20 WeakPolarHBondContact O-CD 3.43Å
19N57.4Low61.3Low99 Ų99121.9 Ų121.953%0.52965%0.651SS.*  trans-65.1113.6164.5-98.1-23.6000108.4N17 H21N17-N19 PolarHBondContact O-N 2.96Å; N19-H21 PolarHBondContact O-N 2.97Å; N19-H21 VanDerWaalsContact O-N 3.13Å
20P52.8Low59.8Low109 Ų109126 Ų12671%0.70867%0.668SS**SBendtrans-77.9101.6171.531.7-24.5000106.2A18A18-P20 WeakPolarHBondContact O-CD 3.43Å
21H46.4Very low58.3Low198 Ų198122.6 Ų122.692%0.91768%0.675SS**SBendtrans58.679.1174.7-57.5-84.2000115.3N19N19-H21 PolarHBondContact O-N 2.97Å; N19-H21 VanDerWaalsContact O-N 3.13Å
22G43Very low57.1Low46 Ų46123.9 Ų123.947%0.47468%0.684SS.*  trans-140.5134.8172.800000112.1
23Y48.9Very low55.8Low194 Ų194124.4 Ų124.476%0.76169%0.692SS**  trans93.351.8177-47.7-70.4000117.7K25Y23-K25 VanDerWaalsContact C-N 3.27Å; Y23-K25 PolarHBondContact O-N 3.1Å
24L47.9Very low54Low171 Ų171128.9 Ų128.990%0.89571%0.709SS**  trans-90.670.4143.9-84.6164.9000108.7S26L24-S26 VanDerWaalsContact C-N 3.25Å; L24-S26 PolarHBondContact O-N 2.84Å
25K44.8Very low52.9Low169 Ų169128 Ų12874%0.73571%0.713SS**  trans-80.681.4155.9-83.5-172.3172.4-1700106.8Y23Y23-K25 VanDerWaalsContact C-N 3.27Å; Y23-K25 PolarHBondContact O-N 3.1Å
26S52.4Low52Low81 Ų81131.5 Ų131.557%0.56673%0.725SS**  trans-105.479.2161.459.50000107.4L24 I28L24-S26 VanDerWaalsContact C-N 3.25Å; L24-S26 PolarHBondContact O-N 2.84Å; S26-I28 VanDerWaalsContact C-N 3.25Å; S26-I28 PolarHBondContact O-N 3.07Å
27E48.5Very low51.1Low167 Ų167131.4 Ų131.478%0.7872%0.724SS**  trans-63.791158.2-68.5168.6-167.300106.7
28I56.8Low50.4Low134 Ų134134.3 Ų134.369%0.68773%0.73SS**  trans-107113.8166.4-59.7169.1000105.6S26 E30S26-I28 VanDerWaalsContact C-N 3.25Å; S26-I28 PolarHBondContact O-N 3.07Å; I28-E30 PolarHBondContact O-N 3.31Å
29P52.2Low50.1Low97 Ų97138.3 Ų138.363%0.6374%0.74SS**  trans-68.6121.2179.826.3-30.7000109.4A31P29-A31 PolarHBondContact O-N 3.3Å
30E54.8Low49.4Very low192 Ų192139.3 Ų139.390%0.89775%0.745SS**G310 helixtrans-61.74.9179.4-65.1178.2153.200114.3I28 L32I28-E30 PolarHBondContact O-N 3.31Å; E30-L32 PolarHBondContact O-N 2.92Å
31A52.2Low49.2Very low97 Ų97141.9 Ų141.980%0.80275%0.753SS**G310 helixtrans-86.67.7-175.800000115P29P29-A31 PolarHBondContact O-N 3.3Å
32L54.3Low49.4Very low152 Ų152136.7 Ų136.780%0.79674%0.739SS**G310 helixtrans-112.26.8-174.4-133.8150.5000114.3E30E30-L32 PolarHBondContact O-N 2.92Å
33L53.2Low49.7Very low161 Ų161140 Ų14084%0.84375%0.752SS**  trans-115.239.1-176.8-66175.2000113
34D41.7Very low49.8Very low147 Ų147140.9 Ų140.979%0.78676%0.755SS**  trans-96.889166.8-134.8-0.7000108.5
35S49.1Very low50.2Low92 Ų92141.8 Ų141.864%0.64375%0.748SS**  trans-140.984168.167.20000109.9S37S35-S37 PolarHBondContact O-N 2.98Å
36N49.3Very low50.5Low159 Ų159143.8 Ų143.885%0.8575%0.753SS**  trans-53.376.9161.2-72.5-45.9000110.9
37S48.3Very low50.5Low86 Ų86148.5 Ų148.560%0.60177%0.766SS**  trans-174.190.9172.355.50000110.9S35S35-S37 PolarHBondContact O-N 2.98Å
38F47.4Very low50.7Low203 Ų203151.3 Ų151.389%0.8977%0.769SS**  trans-179.379.5143.9-123.2-99.6000106.8
39M49.8Very low50.8Low150 Ų150148.3 Ų148.374%0.73976%0.76SS**  47.592.598-78.3-91.3111.600111.9
40D44.2Very low51.1Low121 Ų121152.7 Ų152.765%0.64777%0.772SS**SBend52115.6129.4-60.4-15.5000119
41N48.9Very low51.3Low162 Ų162150.1 Ų150.187%0.86676%0.758SS**  trans69.475.1144.9-60.3-24.6000116.9
42S48.9Very low51.7Low90 Ų90148.5 Ų148.563%0.62974%0.74SS**  trans-142.3137.9145.773.10000111.3Y44S42-Y44 PolarHBondContact O-N 2.76Å
43P50.9Low51.9Low114 Ų114150.4 Ų150.474%0.7474%0.741SS**  trans-75.1121-173.730.5-32.6000110.3Y45P43-Y45 HydrophobicContact CB-CD2 4.15Å; P43-Y45 PolarHBondContact O-N 2.89Å
44Y50.1Low52.3Low214 Ų214151.5 Ų151.584%0.83973%0.734SS**THydrogen-bonded Turntrans-67.244.8-174.1-80.6-88.7000115.6S42S42-Y44 PolarHBondContact O-N 2.76Å
45Y56Low52.9Low189 Ų189150.8 Ų150.874%0.74172%0.721SS**THydrogen-bonded Turntrans-96.2-26.3-174.9-76.8-73.9000115.6P43P43-Y45 HydrophobicContact CB-CD2 4.15Å; P43-Y45 PolarHBondContact O-N 2.89Å
46Y51.1Low53.2Low211 Ų211152.8 Ų152.883%0.82772%0.718SS**  trans-153.875.2178.4-65.6-80.4000110.9R48Y46-R48 PolarHBondContact O-N 2.86Å
47Q52.3Low53.5Low181 Ų181149.9 Ų149.985%0.84671%0.706SS**  trans-72.379.7158.1-164.3171.49.900107.1S49Q47-S49 PolarHBondContact O-N 2.88Å
48R53.4Low54Low226 Ų226150.6 Ų150.685%0.85370%0.702SS**  trans-60.395.3167.4-126.9179.1-171.5171.33.7104.9Y46 Q50Y46-R48 PolarHBondContact O-N 2.86Å; R48-Q50 PolarHBondContact O-N 3.26Å
49S57.8Low54.4Low70 Ų70145.6 Ų145.649%0.4969%0.685SS.*  trans-48.8116.6167.646.90000106.1Q47 F51Q47-S49 PolarHBondContact O-N 2.88Å; S49-F51 VanDerWaalsContact O-CD2 3.3Å; S49-F51 WeakPolarHBondContact O-CD2 3.12Å; S49-F51 PolarHBondContact O-N 2.8Å; S49-F51 WeakPolarHBondContact OG-CE2 3.16Å
50Q59.8Low54.7Low190 Ų190144.1 Ų144.189%0.88868%0.676SS**  trans-66.385.4173.5-74178.7-19.200105.7R48 P52R48-Q50 PolarHBondContact O-N 3.26Å; Q50-P52 WeakPolarHBondContact O-CD 3.44Å; Q50-P52 VanDerWaalsContact O-N 3.15Å
51F58.4Low55.3Low137 Ų137146.5 Ų146.560%0.60168%0.681SS**  trans-55.6122.8170.3-74.6-81.1000106.3S49 K53 W55S49-F51 VanDerWaalsContact O-CD2 3.3Å; S49-F51 WeakPolarHBondContact O-CD2 3.12Å; S49-F51 PolarHBondContact O-N 2.8Å; S49-F51 WeakPolarHBondContact OG-CE2 3.16Å; F51-K53 PolarHBondContact O-N 2.84Å; F51-W55 HydrophobicContact CD1-CE3 4.09Å
52P59.9Low55.6Low64 Ų64148.4 Ų148.442%0.41668%0.675SS.*  trans-45.6135175.89.5-26.6000109.5Q50 W54 W55 K56Q50-P52 WeakPolarHBondContact O-CD 3.44Å; Q50-P52 VanDerWaalsContact O-N 3.15Å; P52-W54 CarbonylContact O-C 3.56Å; P52-W54 PolarHBondContact O-N 2.89Å; P52-W55 HydrophobicContact CG-CB 4.37Å; P52-W55 HydrophobicContact CG-CD2 4.27Å; P52-W55 HydrophobicContact CG-CE3 3.5Å; P52-W55 HydrophobicContact CG-CZ3 4.11Å; P52-W55 WeakPolarHBondContact O-CA 3.29Å; P52-W55 WeakPolarHBondContact O-CB 3.22Å; P52-W55 PolarHBondContact O-N 2.94Å; P52-K56 PolarHBondContact O-N 3.13Å
53K59.7Low56.1Low192 Ų192155 Ų15584%0.83569%0.687SS**Hα-helixtrans-51.6-27.6-174.5-78.2179.9177.41760112.9F51 K56 T57F51-K53 PolarHBondContact O-N 2.84Å; K53-K56 PolarHBondContact O-N 2.93Å; K53-T57 PolarHBondContact O-N 2.92Å; K53-T57 PolarHBondContact O-OG1 3.5Å
54W60.5Low56.6Low183 Ų183156.1 Ų156.169%0.69368%0.68SS**Hα-helixtrans-62.2-44.9172120.431.4000111.6P52 K56 T57 I58P52-W54 CarbonylContact O-C 3.56Å; P52-W54 PolarHBondContact O-N 2.89Å; W54-K56 PolarHBondContact O-N 3.12Å; W54-T57 WeakPolarHBondContact CA-OG1 3.45Å; W54-T57 PolarHBondContact O-N 3.5Å; W54-T57 VanDerWaalsContact O-N 3.07Å; W54-T57 PolarHBondContact O-OG1 2.73Å; W54-T57 VanDerWaalsContact O-OG1 3.1Å; W54-I58 HydrophobicContact CG-CD1 4.29Å; W54-I58 WeakPolarHBondContact O-CG1 3.32Å; W54-I58 PolarHBondContact O-N 2.8Å
55W55.2Low57.1Low132 Ų132151.5 Ų151.550%0.568%0.677SS.*Hα-helixtrans-64.3-33.1-176.8-115.1-27.9000111.6F51 P52 N59F51-W55 HydrophobicContact CD1-CE3 4.09Å; P52-W55 HydrophobicContact CG-CB 4.37Å; P52-W55 HydrophobicContact CG-CD2 4.27Å; P52-W55 HydrophobicContact CG-CE3 3.5Å; P52-W55 HydrophobicContact CG-CZ3 4.11Å; P52-W55 WeakPolarHBondContact O-CA 3.29Å; P52-W55 WeakPolarHBondContact O-CB 3.22Å; P52-W55 PolarHBondContact O-N 2.94Å; W55-N59 VanDerWaalsContact O-CB 3.26Å; W55-N59 WeakPolarHBondContact O-CB 3.3Å; W55-N59 PolarHBondContact O-N 3.29Å
56K55.6Low57.2Low135 Ų135149.6 Ų149.659%0.58768%0.678SS**Hα-helixtrans-65.5-40.5173.3-161.8-178.7179.2-168.60111.8P52 K53 W54 E60P52-K56 PolarHBondContact O-N 3.13Å; K53-K56 PolarHBondContact O-N 2.93Å; W54-K56 PolarHBondContact O-N 3.12Å; K56-E60 VanDerWaalsContact CE-OE1 3.29Å; K56-E60 WeakPolarHBondContact CE-OE1 3.19Å; K56-E60 HydrophobicContact CG-CG 4.44Å; K56-E60 WeakPolarHBondContact O-CB 3.49Å; K56-E60 WeakPolarHBondContact O-CG 3.26Å; K56-E60 PolarHBondContact O-N 3.48Å
57T56.2Low57.7Low97 Ų97146.7 Ų146.760%0.59567%0.669SS**Hα-helixtrans-75.3-30.5179.114.70000113.2K53 W54K53-T57 PolarHBondContact O-N 2.92Å; K53-T57 PolarHBondContact O-OG1 3.5Å; W54-T57 WeakPolarHBondContact CA-OG1 3.45Å; W54-T57 PolarHBondContact O-N 3.5Å; W54-T57 VanDerWaalsContact O-N 3.07Å; W54-T57 PolarHBondContact O-OG1 2.73Å; W54-T57 VanDerWaalsContact O-OG1 3.1Å
58I57.8Low58.1Low101 Ų101144.4 Ų144.452%0.51866%0.659SS.*Hα-helixtrans-78.4-32.2176.4-64.2-175.7000111.6W54W54-I58 HydrophobicContact CG-CD1 4.29Å; W54-I58 WeakPolarHBondContact O-CG1 3.32Å; W54-I58 PolarHBondContact O-N 2.8Å
59N55.8Low58.2Low99 Ų99142.2 Ų142.253%0.52965%0.652SS.*Hα-helixtrans-97.1-0.3177.9-69.8-16.6000114.4W55 K61W55-N59 VanDerWaalsContact O-CB 3.26Å; W55-N59 WeakPolarHBondContact O-CB 3.3Å; W55-N59 PolarHBondContact O-N 3.29Å; N59-K61 PolarHBondContact O-N 2.73Å
60E56Low58.2Low119 Ų119149 Ų14956%0.55667%0.666SS**  trans-74.42.9170.3-99.6172.5-172.600113.1K56 R62K56-E60 VanDerWaalsContact CE-OE1 3.29Å; K56-E60 WeakPolarHBondContact CE-OE1 3.19Å; K56-E60 HydrophobicContact CG-CG 4.44Å; K56-E60 WeakPolarHBondContact O-CB 3.49Å; K56-E60 WeakPolarHBondContact O-CG 3.26Å; K56-E60 PolarHBondContact O-N 3.48Å; E60-R62 PolarHBondContact O-N 2.9Å
61K57.7Low58Low171 Ų171143.3 Ų143.374%0.74366%0.659SS**SBendtrans-5896.6159.3-74.1-174.4179179.90107.6N59 W63N59-K61 PolarHBondContact O-N 2.73Å; K61-W63 PolarHBondContact O-N 2.97Å
62R55.3Low57.7Low201 Ų201140 Ų14076%0.75866%0.664SS**  trans-32.9101.9173.2-91.5173.2160.4176.8-5.2109.5E60 F64E60-R62 PolarHBondContact O-N 2.9Å; R62-F64 HydrophobicContact CB-CD2 3.95Å; R62-F64 HydrophobicContact CB-CE2 3.71Å; R62-F64 HydrophobicContact CB-CZ 4.29Å; R62-F64 HydrophobicContact CG-CE2 4.37Å; R62-F64 HydrophobicContact CG-CZ 4.49Å; R62-F64 PolarHBondContact O-N 3.48Å
63W59.6Low57.4Low228 Ų228145.2 Ų145.286%0.86469%0.687SS**  trans-68.588.5160.4-69.389.2000105.6K61K61-W63 PolarHBondContact O-N 2.97Å
64F60Low57.1Low138 Ų138144.5 Ų144.561%0.60569%0.689SS**  trans-63.8128.1161.6-72.7-80.6000106.2R62 I66R62-F64 HydrophobicContact CB-CD2 3.95Å; R62-F64 HydrophobicContact CB-CE2 3.71Å; R62-F64 HydrophobicContact CB-CZ 4.29Å; R62-F64 HydrophobicContact CG-CE2 4.37Å; R62-F64 HydrophobicContact CG-CZ 4.49Å; R62-F64 PolarHBondContact O-N 3.48Å; F64-I66 VanDerWaalsContact C-N 3.28Å; F64-I66 PolarHBondContact O-N 2.83Å
65P60.6Low56.4Low118 Ų118144.2 Ų144.277%0.76670%0.695SS**  trans-62101.4169.225.3-30.3000106.2K67P65-K67 PolarHBondContact O-N 3.02Å
66I58.3Low56Low149 Ų149147.3 Ų147.376%0.76473%0.729SS**  trans-65.195.9167-60.6172.2000103.5F64 E68F64-I66 VanDerWaalsContact C-N 3.28Å; F64-I66 PolarHBondContact O-N 2.83Å; I66-E68 HydrophobicContact CG2-CG 4.4Å; I66-E68 PolarHBondContact O-N 2.82Å
67K62.9Low56Low150 Ų150147.9 Ų147.965%0.65274%0.736SS**  trans-61.1100.3160.2-78.9-172.1176.8-177.20104.8P65 Y69P65-K67 PolarHBondContact O-N 3.02Å; K67-Y69 HydrophobicContact CB-CD2 3.71Å; K67-Y69 HydrophobicContact CB-CE2 3.5Å; K67-Y69 HydrophobicContact CD-CE2 3.6Å; K67-Y69 HydrophobicContact CG-CE2 4.21Å; K67-Y69 PolarHBondContact O-N 3.27Å
68E59.2Low56Low132 Ų132150.6 Ų150.662%0.61774%0.743SS**  trans-62.585.9164.3-71-173.1-172.700107.1I66 R70I66-E68 HydrophobicContact CG2-CG 4.4Å; I66-E68 PolarHBondContact O-N 2.82Å; E68-R70 HydrophobicContact CB-CG 4.39Å; E68-R70 PolarHBondContact O-N 3.27Å; E68-R70 IonicContact OE2-CZ 3.12Å; E68-R70 IonicContact OE2-NE 2.9Å; E68-R70 PolarHBondContact OE2-NE 2.87Å; E68-R70 VanDerWaalsContact OE2-NE 3.12Å; E68-R70 IonicContact OE2-NH2 3.46Å; E68-R70 PolarHBondContact OE2-NH2 2.82Å
69Y55.8Low55.9Low180 Ų180153.3 Ų153.371%0.70676%0.755SS**  trans-70.389.8164.8-79-83.6000107K67 G71K67-Y69 HydrophobicContact CB-CD2 3.71Å; K67-Y69 HydrophobicContact CB-CE2 3.5Å; K67-Y69 HydrophobicContact CD-CE2 3.6Å; K67-Y69 HydrophobicContact CG-CE2 4.21Å; K67-Y69 PolarHBondContact O-N 3.27Å; Y69-G71 PolarHBondContact O-N 3.34Å
70R57.7Low55.9Low212 Ų212156.5 Ų156.580%0.877%0.769SS**  trans-78.496170.5-66.1-172.5-178.4-162.9-0.1108.3E68E68-R70 HydrophobicContact CB-CG 4.39Å; E68-R70 PolarHBondContact O-N 3.27Å; E68-R70 IonicContact OE2-CZ 3.12Å; E68-R70 IonicContact OE2-NE 2.9Å; E68-R70 PolarHBondContact OE2-NE 2.87Å; E68-R70 VanDerWaalsContact OE2-NE 3.12Å; E68-R70 IonicContact OE2-NH2 3.46Å; E68-R70 PolarHBondContact OE2-NH2 2.82Å
71G54.9Low55.9Low72 Ų72158.9 Ų158.974%0.74278%0.782SS**SBendtrans80.6136.2175.500000112.5Y69Y69-G71 PolarHBondContact O-N 3.34Å
72G52.5Low55.8Low68 Ų68158.1 Ų158.170%0.70179%0.785SS**  cis-175.2169.12.200000103.9M74G72-M74 PolarHBondContact O-N 2.79Å
73L54.1Low55.8Low172 Ų172155 Ų15590%0.90179%0.787SS**  trans-44.2112.3176.4-97.2123.8000110.7E75L73-E75 PolarHBondContact O-N 3.43Å
74M54Low55.5Low178 Ų178149.4 Ų149.488%0.87778%0.781SS**  trans-85.492.4172.5-172.1165.3134.600106.5G72G72-M74 PolarHBondContact O-N 2.79Å
75E45.7Very low55.2Low176 Ų176150.3 Ų150.382%0.82280%0.795SS**  trans-79.7107.3159.9-74.5-176.6163.600108L73L73-E75 PolarHBondContact O-N 3.43Å
76V46.4Very low54.7Low197 Ų197153.3 Ų153.3100%1.19480%0.798SS**  trans-142.70149.3-176.90000107.2

Retrieved 76 of 76 residues in 19.5 ms (Link to these results)