A0A096NIV1_PAPAN Loading...

Trefoil factor 3

Involved in the maintenance and repair of the intestinal mucosa. Promotes the mobility of epithelial cells in healing processes (motogen).

AlphaFold DB , UniProt , Accession A0A096NIV1, Species PAPAN (Papio anubis, Olive baboon), Gene TFF3, Length 94 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 low38.5Very low221 Ų221139.5 Ų139.5100%1.08978%0.78SS**  0109.506.2171.5170.600107.7
2K32.2Very low38.6Very low201 Ų201138.6 Ų138.687%0.87478%0.78SS**  trans12266.2178.8-65.7148.5-175.3168.20113.2
3C34.1Very low39Very low124 Ų124137 Ų13784%0.83878%0.775SS**  trans-105.658.2147.8-810000108
4V35.9Very low39.3Very low118 Ų118133.7 Ų133.772%0.71576%0.759SS**  trans-14067.6171.4-167.90000107.3
5L39.4Very low39.8Very low166 Ų166134.9 Ų134.987%0.86976%0.758SS**SBendtrans-142.431.2172-163.560.3000112.1
6S41.2Very low40Very low116 Ų116132.8 Ų132.881%0.81176%0.763SS**SBendtrans-138.2-16.9177.3-67.10000119.5
7C43.4Very low40.3Very low75 Ų75126.6 Ų126.651%0.50773%0.732SS.*SBendtrans-152.6129.3171.8-46.50000106.7
8I41.8Very low40.8Very low113 Ų113129.2 Ų129.258%0.57973%0.728SS**  cis-158151.940.4-65.7163.8000107.7
9P39.8Very low41.3Very low127 Ų127126.7 Ų126.783%0.82573%0.725SS**  trans-80.6138.3178.830.2-34000115.2
10E34.6Very low42Very low171 Ų171127.4 Ų127.480%0.79973%0.725SS**  trans-83.5156.5175.5-100.4-174.684.900114.9T12E10-T12 PolarHBondContact O-N 2.89Å
11P41.1Very low42.4Very low103 Ų103124.2 Ų124.267%0.66971%0.71SS**THydrogen-bonded Turntrans-9643.4-154.339.6-39.4000116.2V14P11-V14 WeakPolarHBondContact O-CG2 3.17Å
12T40.3Very low43Very low128 Ų128119.6 Ų119.679%0.78569%0.69SS**THydrogen-bonded Turntrans-111.6-5.9176.852.60000115.1E10 V14E10-T12 PolarHBondContact O-N 2.89Å; T12-V14 PolarHBondContact O-N 3.49Å
13V42.8Very low44.1Very low118 Ų118116.6 Ų116.672%0.71568%0.682SS**  trans-83.535.5176.1-160.50000111.5
14V43.3Very low45.1Very low91 Ų91112.5 Ų112.555%0.55266%0.661SS**  trans-91.7-3.9-165.71770000113.7P11 T12P11-V14 WeakPolarHBondContact O-CG2 3.17Å; T12-V14 PolarHBondContact O-N 3.49Å
15M47.3Very low45.9Very low151 Ų151111.7 Ų111.774%0.74465%0.652SS**SBendtrans-126.5-21.2-171.3-81.1-178.34.200118.2
16A42.7Very low46.8Very low101 Ų101109.1 Ų109.184%0.83564%0.643SS**SBendtrans-94.5-14.2-178.200000114.2
17A45.3Very low47.3Very low29 Ų29110.4 Ų110.424%0.2464%0.64CS.*  trans-98.75.9-172.300000114.8A19 L20 C21A17-A19 VanDerWaalsContact C-N 3.31Å; A17-A19 PolarHBondContact O-N 3.02Å; A17-L20 PolarHBondContact O-N 3.21Å; A17-L20 VanDerWaalsContact O-N 3.15Å; A17-C21 VanDerWaalsContact CB-SG 3.56Å; A17-C21 VanDerWaalsContact O-CB 3.24Å; A17-C21 WeakPolarHBondContact O-CB 3.43Å; A17-C21 PolarHBondContact O-N 2.92Å; A17-C21 PolarHBondContact O-SG 3.39Å
18R49.6Very low47.8Very low173 Ų173110.1 Ų110.165%0.65364%0.643SS**Hα-helixtrans-60.7-33.6-168.8-67.5-177.5174.2-171.9-2.4114.7
19A50.9Low48.2Very low82 Ų82112.1 Ų112.168%0.67865%0.654SS**Hα-helixtrans-83-30.2178.200000113.5A17A17-A19 VanDerWaalsContact C-N 3.31Å; A17-A19 PolarHBondContact O-N 3.02Å
20L54.3Low49Very low139 Ų139111.4 Ų111.473%0.72865%0.647SS**Hα-helixtrans-87.3-25-179.6-69.8164.2000112A17 G24A17-L20 PolarHBondContact O-N 3.21Å; A17-L20 VanDerWaalsContact O-N 3.15Å; L20-G24 PolarHBondContact O-N 3.35Å
21C50.6Low50.2Low61 Ų61107.8 Ų107.841%0.41264%0.641SS.*Hα-helixtrans-65.4-38.4176.6-79.90000113.6A17 L23 G24 L25A17-C21 VanDerWaalsContact CB-SG 3.56Å; A17-C21 VanDerWaalsContact O-CB 3.24Å; A17-C21 WeakPolarHBondContact O-CB 3.43Å; A17-C21 PolarHBondContact O-N 2.92Å; A17-C21 PolarHBondContact O-SG 3.39Å; C21-L23 VanDerWaalsContact C-N 3.31Å; C21-L23 PolarHBondContact O-N 3.36Å; C21-G24 PolarHBondContact O-N 3.49Å; C21-L25 HydrophobicContact CB-CD1 4.45Å; C21-L25 WeakPolarHBondContact O-CB 3.43Å; C21-L25 WeakPolarHBondContact O-CD1 3.12Å; C21-L25 WeakPolarHBondContact O-CG 3.37Å; C21-L25 PolarHBondContact O-N 2.7Å
22L53Low50.7Low125 Ų125108 Ų10865%0.65464%0.644SS**Hα-helixtrans-66-33.4-177.3-66.2177.6000112.8L25L22-L25 HydrophobicContact CD2-CD1 4.24Å
23L53.9Low51.4Low137 Ų137107.9 Ų107.972%0.71765%0.649SS**Hα-helixtrans-74.7-34.7175.6-98.6140.3000112.8C21C21-L23 VanDerWaalsContact C-N 3.31Å; C21-L23 PolarHBondContact O-N 3.36Å
24G56.2Low51.8Low38 Ų38106.4 Ų106.439%0.39264%0.644SS.*Hα-helixtrans-76.9-29.4175.500000114.4L20 C21 V26 L27 A28L20-G24 PolarHBondContact O-N 3.35Å; C21-G24 PolarHBondContact O-N 3.49Å; G24-V26 VanDerWaalsContact C-N 3.28Å; G24-V26 PolarHBondContact O-N 3.41Å; G24-L27 PolarHBondContact O-N 2.84Å; G24-L27 VanDerWaalsContact O-N 3.13Å; G24-A28 PolarHBondContact O-N 3.45Å
25L53.5Low52.1Low102 Ų102106.4 Ų106.453%0.53465%0.654SS.*Hα-helixtrans-63.6-30-179.6-81.2163.3000113.2C21 L22 L27 L29C21-L25 HydrophobicContact CB-CD1 4.45Å; C21-L25 WeakPolarHBondContact O-CB 3.43Å; C21-L25 WeakPolarHBondContact O-CD1 3.12Å; C21-L25 WeakPolarHBondContact O-CG 3.37Å; C21-L25 PolarHBondContact O-N 2.7Å; L22-L25 HydrophobicContact CD2-CD1 4.24Å; L25-L27 VanDerWaalsContact C-N 3.32Å; L25-L29 WeakPolarHBondContact O-CG 3.39Å
26V57.3Low52Low112 Ų112106.1 Ų106.168%0.67965%0.65SS**THydrogen-bonded Turntrans-69.9-31.2176.3-176.10000111.6G24G24-V26 VanDerWaalsContact C-N 3.28Å; G24-V26 PolarHBondContact O-N 3.41Å
27L52.3Low52Low143 Ų143111.6 Ų111.675%0.74965%0.651SS**THydrogen-bonded Turntrans-81.9-24-179.9-72.2164.3000113.1G24 L25G24-L27 PolarHBondContact O-N 2.84Å; G24-L27 VanDerWaalsContact O-N 3.13Å; L25-L27 VanDerWaalsContact C-N 3.32Å
28A52.7Low52.1Low68 Ų68117 Ų11756%0.56268%0.68SS**THydrogen-bonded Turntrans-83.5-8.3179.700000114.8G24 V30G24-A28 PolarHBondContact O-N 3.45Å; A28-V30 VanDerWaalsContact C-N 3.33Å
29L51.5Low52.2Low156 Ų156110.8 Ų110.882%0.81767%0.671SS**THydrogen-bonded Turntrans-80.6-12.7177.7-67.1174.7000113.4L25L25-L29 WeakPolarHBondContact O-CG 3.39Å
30V57Low52.2Low112 Ų112110.2 Ų110.268%0.67966%0.656SS**SBendtrans-110.8122.3168.6163.40000106.4A28A28-V30 VanDerWaalsContact C-N 3.33Å
31S58.6Low52.4Low95 Ų95106.5 Ų106.566%0.66464%0.641SS**SBendtrans69.497.4-176.9-0.50000112.5
32S52.4Low52.9Low106 Ų106107.9 Ų107.974%0.74166%0.658SS**  -169.699.478.1-60.50000109.4S34S32-S34 PolarHBondContact O-N 2.9Å
33S54.6Low53.6Low127 Ų127107.6 Ų107.689%0.88866%0.657SS**  trans-84.276.515853.30000107.8A35S33-A35 PolarHBondContact O-N 3.43Å; S33-A35 VanDerWaalsContact O-N 3.14Å
34S51.8Low54.6Low86 Ų86103.6 Ų103.660%0.60163%0.634SS**  trans-75.292.6154.252.60000105.9S32 E36S32-S34 PolarHBondContact O-N 2.9Å; S34-E36 PolarHBondContact O-N 2.93Å
35A49.2Very low55.9Low92 Ų92104 Ų10476%0.7663%0.631SS**  trans-61.893.8160.300000106.6S33 Y37S33-A35 PolarHBondContact O-N 3.43Å; S33-A35 VanDerWaalsContact O-N 3.14Å; A35-Y37 PolarHBondContact O-N 3.43Å
36E44.4Very low57.5Low145 Ų145102.3 Ų102.368%0.67863%0.631SS**  trans-67.782.1164.3-62.5-78.510700105.9S34 V38S34-E36 PolarHBondContact O-N 2.93Å; E36-V38 PolarHBondContact O-N 3.41Å
37Y43.4Very low58.7Low215 Ų21597.5 Ų97.584%0.84360%0.602SS**  trans-65.5107.6169.7-170.9-95.8000106.3A35 G39A35-Y37 PolarHBondContact O-N 3.43Å; Y37-G39 PolarHBondContact O-N 2.95Å
38V47.6Very low60.4Low142 Ų14293.7 Ų93.786%0.86159%0.586SS**  trans-67.377.3175.3-173.90000108.1E36E36-V38 PolarHBondContact O-N 3.41Å
39G51.4Low62Low44 Ų4491.7 Ų91.745%0.45457%0.569SS.*  trans-91124.4166.300000108.2Y37 S41Y37-G39 PolarHBondContact O-N 2.95Å; G39-S41 PolarHBondContact O-N 3.28Å
40L51.2Low63.7Low70 Ų7092.6 Ų92.637%0.36657%0.567SS.*  trans-42.4116.5163.9-105.664.6000108.5
41S59Low65.1Low60 Ų6091.7 Ų91.742%0.4256%0.558SS.*  trans-67.5136.3178.7171.10000108.6G39 N43 Q44G39-S41 PolarHBondContact O-N 3.28Å; S41-N43 PolarHBondContact O-N 2.99Å; S41-Q44 WeakPolarHBondContact O-CB 3.39Å; S41-Q44 PolarHBondContact O-N 3.12Å
42A60.7Low66.5Low91 Ų9188.6 Ų88.675%0.75253%0.532SS*.G310 helixtrans-53.8-23-170.300000114.8
43N67.6Low68.2Low118 Ų11888 Ų8863%0.63152%0.523SS*.G310 helixtrans-75-20.5176.6-77.8-64.4000114.1S41 C45S41-N43 PolarHBondContact O-N 2.99Å; N43-C45 VanDerWaalsContact C-N 3.29Å; N43-C45 PolarHBondContact O-N 2.9Å
44Q74.4Confident69.9Low54 Ų5486.2 Ų86.225%0.25250%0.504SS..G310 helixtrans-74.9-18.2-178.9-75.7138.424.600113.1S41 P85 L86S41-Q44 WeakPolarHBondContact O-CB 3.39Å; S41-Q44 PolarHBondContact O-N 3.12Å; Q44-P85 HydrophobicContact CB-CB 3.85Å; Q44-P85 CarbonylContact O-C 3.5Å; Q44-P85 WeakPolarHBondContact O-CA 3.5Å; Q44-P85 WeakPolarHBondContact O-CB 3.37Å; Q44-L86 PolarHBondContact O-N 3.37Å
45C84.3Confident71.7Confident47 Ų4783 Ų8332%0.31848%0.481SS..G310 helixtrans-96.21.8179-64.20000114.6N43 V47 C71N43-C45 VanDerWaalsContact C-N 3.29Å; N43-C45 PolarHBondContact O-N 2.9Å; C45-V47 PolarHBondContact O-N 2.84Å; C45-C71 WeakPolarHBondContact CA-SG 3.49Å; C45-C71 HydrophobicContact CB-CB 3.58Å; C45-C71 WeakPolarHBondContact CB-SG 3.35Å; C45-C71 WeakPolarHBondContact SG-CB 3.37Å; C45-C71 CovalentContact SG-SG 2.04Å; C45-C71 PolarHBondContact SG-SG 2.73Å
46A85.4Confident73.5Confident66 Ų6679.5 Ų79.555%0.54545%0.454SS..  trans-78.952.3177.500000112.3
47V83.6Confident75.3Confident10 Ų1077.2 Ų77.26%0.06144%0.44CS..  trans-90.9123.4179.1-173.90000109.8C45 D51 R52 F83 L86C45-V47 PolarHBondContact O-N 2.84Å; V47-D51 HydrophobicContact CG1-CB 4.35Å; V47-R52 HydrophobicContact CB-CG 4.31Å; V47-R52 HydrophobicContact CG1-CG 3.95Å; V47-R52 PolarHBondContact O-NE 2.03Å; V47-F83 HydrophobicContact CB-CD2 3.75Å; V47-F83 HydrophobicContact CB-CE2 3.54Å; V47-F83 HydrophobicContact CG1-CD2 4.36Å; V47-F83 HydrophobicContact CG2-CD2 3.77Å; V47-F83 HydrophobicContact CG2-CE2 3.6Å; V47-L86 HydrophobicContact CB-CD2 4.49Å; V47-L86 HydrophobicContact CG2-CD2 3.76Å; V47-L86 HydrophobicContact CG2-CG 3.67Å
48P87.3Confident76.9Confident63 Ų6372.5 Ų72.541%0.40944%0.436SS..  trans-62.4142.1175.127.3-34.9000110.8K50 D51 R52P48-K50 HydrophobicContact CB-CG 4.34Å; P48-K50 PolarHBondContact O-N 3.49Å; P48-D51 HydrophobicContact CG-CB 4.04Å; P48-D51 WeakPolarHBondContact CG-OD2 3.24Å; P48-D51 PolarHBondContact O-N 2.79Å; P48-R52 PolarHBondContact O-N 3.19Å
49A85.9Confident78.5Confident26 Ų2674.5 Ų74.522%0.21544%0.436CS..G310 helixtrans-51.5-35.7-171.400000115D51 R52 I76 V79A49-D51 VanDerWaalsContact C-N 3.32Å; A49-D51 PolarHBondContact O-N 3.42Å; A49-R52 PolarHBondContact O-N 3.32Å; A49-I76 HydrophobicContact CB-CD1 3.56Å; A49-I76 HydrophobicContact CB-CG2 4.27Å; A49-V79 HydrophobicContact CB-CG1 4.08Å; A49-V79 HydrophobicContact CB-CG2 4.3Å
50K86.9Confident80.2Confident176 Ų17672.7 Ų72.777%0.76542%0.416SS*.G310 helixtrans-69.1-25.5179.157.6166.4-172.81690114.3P48P48-K50 HydrophobicContact CB-CG 4.34Å; P48-K50 PolarHBondContact O-N 3.49Å
51D87.2Confident82Confident93 Ų9372.2 Ų72.250%0.49742%0.416SS..G310 helixtrans-106.17.7-176.6-55.4-42.5000110.9V47 P48 A49 V53V47-D51 HydrophobicContact CG1-CB 4.35Å; P48-D51 HydrophobicContact CG-CB 4.04Å; P48-D51 WeakPolarHBondContact CG-OD2 3.24Å; P48-D51 PolarHBondContact O-N 2.79Å; A49-D51 VanDerWaalsContact C-N 3.32Å; A49-D51 PolarHBondContact O-N 3.42Å; D51-V53 PolarHBondContact O-N 3.26Å
52R88.6Confident83.3Confident30 Ų3072.4 Ų72.411%0.11342%0.416CS..PPolyproline II helixtrans-69.7118.2177.1-71-177.1-176.2175.22.2110.1V47 P48 A49 D73 P80 F83V47-R52 HydrophobicContact CB-CG 4.31Å; V47-R52 HydrophobicContact CG1-CG 3.95Å; V47-R52 PolarHBondContact O-NE 2.03Å; P48-R52 PolarHBondContact O-N 3.19Å; A49-R52 PolarHBondContact O-N 3.32Å; R52-D73 IonicContact CZ-OD1 3.2Å; R52-D73 PolarHBondContact NH1-O 2Å; R52-D73 IonicContact NH1-OD1 2.84Å; R52-D73 PolarHBondContact NH1-OD1 3.44Å; R52-D73 IonicContact NH2-OD1 2.7Å; R52-D73 PolarHBondContact NH2-OD1 2.88Å; R52-P80 HydrophobicContact CB-CG 3.9Å; R52-F83 HydrophobicContact CB-CB 3.78Å; R52-F83 HydrophobicContact CB-CG 4.09Å; R52-F83 HydrophobicContact CG-CB 4.01Å; R52-F83 HydrophobicContact CG-CD1 4.1Å; R52-F83 HydrophobicContact CG-CD2 3.95Å; R52-F83 HydrophobicContact CG-CE2 4.5Å; R52-F83 HydrophobicContact CG-CG 3.73Å
53V88.7Confident84.6Confident93 Ų9375.2 Ų75.256%0.56441%0.413SS*.PPolyproline II helixtrans-93.5124.8171.5-179.20000108.5D51 C55 F83 K84D51-V53 PolarHBondContact O-N 3.26Å; V53-C55 PolarHBondContact O-N 3.13Å; V53-F83 CarbonylContact O-C 3.53Å; V53-F83 WeakPolarHBondContact O-CA 3.34Å; V53-F83 WeakPolarHBondContact O-CB 3.01Å; V53-K84 HydrophobicContact CB-CB 4.42Å; V53-K84 HydrophobicContact CB-CG 4.34Å; V53-K84 HydrophobicContact CG1-CG 4.37Å; V53-K84 PolarHBondContact O-N 3.06Å
54D90.3Very high85.5Confident89 Ų8973.5 Ų73.548%0.47640%0.402SS..BIsolated β-bridgetrans-55.7132.7178.2-170.8-82.2000111.5G56 P80D54-G56 PolarHBondContact OD1-N 3.21Å; D54-P80 HydrophobicContact CB-CB 4.04Å; D54-P80 HydrophobicContact CB-CG 4.44Å; D54-P80 WeakPolarHBondContact OD2-CB 3.26Å
55C88.4Confident86.2Confident19 Ų1971 Ų7113%0.12839%0.39CS..  trans-121.97.7177-1760000112.5V53 C70 C82 K84V53-C55 PolarHBondContact O-N 3.13Å; C55-C70 HydrophobicContact CB-CB 3.64Å; C55-C70 WeakPolarHBondContact CB-SG 3.36Å; C55-C70 WeakPolarHBondContact SG-CB 3.35Å; C55-C70 CovalentContact SG-SG 2Å; C55-C70 PolarHBondContact SG-SG 3.04Å; C55-C82 PolarHBondContact N-O 3.17Å; C55-K84 HydrophobicContact CB-CD 4.03Å; C55-K84 HydrophobicContact CB-CG 4.1Å
56G86.5Confident86.2Confident19 Ų1972.8 Ų72.820%0.19640%0.397CS..SBendtrans-142.2-145-164.300000113.2D54D54-G56 PolarHBondContact OD1-N 3.21Å
57Y82.8Confident86.2Confident97 Ų9776.4 Ų76.438%0.3841%0.407SS..  trans-138.3159.8172.442-94.3000108.2E59 V60 Q64Y57-E59 PolarHBondContact O-N 2.85Å; Y57-V60 HydrophobicContact CD2-CB 3.92Å; Y57-V60 HydrophobicContact CE1-CG2 4.39Å; Y57-V60 HydrophobicContact CE2-CB 3.82Å; Y57-V60 HydrophobicContact CE2-CG2 4.05Å; Y57-V60 HydrophobicContact CG-CB 4.42Å; Y57-V60 WeakPolarHBondContact O-CB 3.38Å; Y57-V60 WeakPolarHBondContact O-CG1 3.02Å; Y57-V60 PolarHBondContact O-N 2.65Å; Y57-Q64 PolarHBondContact OH-OE1 2.85Å
58P77.2Confident86.2Confident115 Ų11582.7 Ų82.775%0.74743%0.429SS*.THydrogen-bonded Turntrans-51.9138172.420.5-32.9000110.7V60P58-V60 VanDerWaalsContact C-N 3.28Å; P58-V60 PolarHBondContact O-N 2.04Å
59E81.3Confident86Confident184 Ų18481.3 Ų81.386%0.8643%0.427SS*.THydrogen-bonded Turntrans64.818.8-178.8-59176.289.100116.2Y57 T61Y57-E59 PolarHBondContact O-N 2.85Å; E59-T61 PolarHBondContact O-N 2.89Å
60V86.3Confident86.1Confident7 Ų780.1 Ų80.14%0.04242%0.417CS..  trans-58.7136.6171.865.20000111.5Y57 P58 Q64 C65 F72 C82Y57-V60 HydrophobicContact CD2-CB 3.92Å; Y57-V60 HydrophobicContact CE1-CG2 4.39Å; Y57-V60 HydrophobicContact CE2-CB 3.82Å; Y57-V60 HydrophobicContact CE2-CG2 4.05Å; Y57-V60 HydrophobicContact CG-CB 4.42Å; Y57-V60 WeakPolarHBondContact O-CB 3.38Å; Y57-V60 WeakPolarHBondContact O-CG1 3.02Å; Y57-V60 PolarHBondContact O-N 2.65Å; P58-V60 VanDerWaalsContact C-N 3.28Å; P58-V60 PolarHBondContact O-N 2.04Å; V60-Q64 HydrophobicContact CG2-CB 3.64Å; V60-C65 HydrophobicContact CG1-CB 4.46Å; V60-C65 HydrophobicContact CG2-CB 4.22Å; V60-F72 VanDerWaalsContact O-CE2 3.26Å; V60-F72 WeakPolarHBondContact O-CE2 3.06Å; V60-C82 HydrophobicContact CG1-CB 3.35Å
61T89.3Confident86.2Confident60 Ų6071.8 Ų71.837%0.36838%0.381SS..  trans-76.1154.3176.966.20000110.9E59 Q63 Q64 C65E59-T61 PolarHBondContact O-N 2.89Å; T61-Q63 PolarHBondContact O-N 2.55Å; T61-Q64 PolarHBondContact O-N 3.4Å; T61-Q64 WeakPolarHBondContact OG1-CB 2.97Å; T61-Q64 WeakPolarHBondContact OG1-CG 3.26Å; T61-Q64 PolarHBondContact OG1-N 2.95Å; T61-C65 PolarHBondContact O-N 2.91Å
62P87.1Confident86.4Confident64 Ų6469.9 Ų69.942%0.41637%0.368SS..Hα-helixtrans-54.3-41177.318.3-31.8000112.4C65 N66 F72P62-C65 PolarHBondContact O-N 3.18Å; P62-N66 WeakPolarHBondContact O-CB 3.16Å; P62-N66 PolarHBondContact O-N 3.44Å; P62-N66 PolarHBondContact O-ND2 3.45Å; P62-N66 VanDerWaalsContact O-ND2 3.09Å; P62-F72 HydrophobicContact CB-CB 4.27Å; P62-F72 HydrophobicContact CB-CD1 3.68Å; P62-F72 HydrophobicContact CB-CD2 4.36Å; P62-F72 HydrophobicContact CB-CE1 4.05Å; P62-F72 HydrophobicContact CB-CG 3.84Å; P62-F72 HydrophobicContact CG-CE1 4.44Å
63Q87.1Confident86.4Confident149 Ų14970.5 Ų70.570%0.69637%0.373SS*.Hα-helixtrans-64.8-42.3177.4-68.6-178.9-90.100112.5T61 C65 N66 N67T61-Q63 PolarHBondContact O-N 2.55Å; Q63-C65 VanDerWaalsContact C-N 3.35Å; Q63-N66 PolarHBondContact O-N 2.92Å; Q63-N67 VanDerWaalsContact O-CB 3.26Å; Q63-N67 WeakPolarHBondContact O-CB 3.09Å; Q63-N67 PolarHBondContact O-N 3.5Å; Q63-N67 PolarHBondContact O-ND2 3.28Å
64Q87.1Confident86.4Confident83 Ų8369.1 Ų69.139%0.38837%0.368SS..Hα-helixtrans-67.4-36.7178.3-74.3171.68.100112Y57 V60 T61 R68Y57-Q64 PolarHBondContact OH-OE1 2.85Å; V60-Q64 HydrophobicContact CG2-CB 3.64Å; T61-Q64 PolarHBondContact O-N 3.4Å; T61-Q64 WeakPolarHBondContact OG1-CB 2.97Å; T61-Q64 WeakPolarHBondContact OG1-CG 3.26Å; T61-Q64 PolarHBondContact OG1-N 2.95Å; Q64-R68 WeakPolarHBondContact O-CG 3.03Å; Q64-R68 PolarHBondContact O-N 3.24Å
65C88.8Confident86.3Confident0 Ų069.8 Ų69.80%038%0.379CS..Hα-helixtrans-66.7-48174.9-174.60000111.9V60 T61 P62 Q63 N67 R68 C70 C71 F72 C82V60-C65 HydrophobicContact CG1-CB 4.46Å; V60-C65 HydrophobicContact CG2-CB 4.22Å; T61-C65 PolarHBondContact O-N 2.91Å; P62-C65 PolarHBondContact O-N 3.18Å; Q63-C65 VanDerWaalsContact C-N 3.35Å; C65-N67 PolarHBondContact O-N 3.08Å; C65-R68 WeakPolarHBondContact O-CB 3.4Å; C65-R68 PolarHBondContact O-N 2.93Å; C65-R68 VanDerWaalsContact O-N 3.08Å; C65-C70 PolarHBondContact O-N 2.82Å; C65-C71 VanDerWaalsContact SG-C 3.59Å; C65-C71 PolarHBondContact SG-O 3.06Å; C65-F72 HydrophobicContact CB-CB 4.09Å; C65-F72 HydrophobicContact CB-CD2 3.99Å; C65-C82 VanDerWaalsContact CA-SG 3.57Å; C65-C82 HydrophobicContact CB-CB 3.76Å; C65-C82 WeakPolarHBondContact CB-SG 3.24Å; C65-C82 WeakPolarHBondContact SG-CA 3.37Å; C65-C82 WeakPolarHBondContact SG-CB 3.4Å; C65-C82 CovalentContact SG-SG 2.03Å; C65-C82 PolarHBondContact SG-SG 2.82Å
66N84.6Confident86.2Confident86 Ų8672.2 Ų72.246%0.4639%0.391SS..Hα-helixtrans-65-37.7179.5-67.1-27.1000112.1P62 Q63 R68 G69 C70P62-N66 WeakPolarHBondContact O-CB 3.16Å; P62-N66 PolarHBondContact O-N 3.44Å; P62-N66 PolarHBondContact O-ND2 3.45Å; P62-N66 VanDerWaalsContact O-ND2 3.09Å; Q63-N66 PolarHBondContact O-N 2.92Å; N66-R68 PolarHBondContact O-N 3.28Å; N66-G69 PolarHBondContact O-N 3.09Å; N66-C70 WeakPolarHBondContact CA-O 3.42Å; N66-C70 PolarHBondContact OD1-O 3.12Å; N66-C70 VanDerWaalsContact OD1-O 3.13Å
67N85.8Confident86.2Confident142 Ų14277.2 Ų77.276%0.75942%0.417SS*.Hα-helixtrans-63.2-20174.9-80.1-20.8000113.3Q63 C65 G69Q63-N67 VanDerWaalsContact O-CB 3.26Å; Q63-N67 WeakPolarHBondContact O-CB 3.09Å; Q63-N67 PolarHBondContact O-N 3.5Å; Q63-N67 PolarHBondContact O-ND2 3.28Å; C65-N67 PolarHBondContact O-N 3.08Å; N67-G69 VanDerWaalsContact C-N 3.27Å
68R83.1Confident86.3Confident142 Ų14276.8 Ų76.854%0.53644%0.442SS..THydrogen-bonded Turntrans-85.71.4173.3-68.8169.6171.8-115-8112.9Q64 C65 N66 C70Q64-R68 WeakPolarHBondContact O-CG 3.03Å; Q64-R68 PolarHBondContact O-N 3.24Å; C65-R68 WeakPolarHBondContact O-CB 3.4Å; C65-R68 PolarHBondContact O-N 2.93Å; C65-R68 VanDerWaalsContact O-N 3.08Å; N66-R68 PolarHBondContact O-N 3.28Å; R68-C70 VanDerWaalsContact C-N 3.34Å
69G82.4Confident86.9Confident34 Ų3473.1 Ų73.135%0.35142%0.417SS..THydrogen-bonded Turntrans73.327.3-173.400000112.8N66 N67N66-G69 PolarHBondContact O-N 3.09Å; N67-G69 VanDerWaalsContact C-N 3.27Å
70C89.1Confident87.3Confident1 Ų166.1 Ų66.11%0.00739%0.388CS..  trans-118.8162.6-178.7-77.80000112.3C55 C65 N66 R68 F83C55-C70 HydrophobicContact CB-CB 3.64Å; C55-C70 WeakPolarHBondContact CB-SG 3.36Å; C55-C70 WeakPolarHBondContact SG-CB 3.35Å; C55-C70 CovalentContact SG-SG 2Å; C55-C70 PolarHBondContact SG-SG 3.04Å; C65-C70 PolarHBondContact O-N 2.82Å; N66-C70 WeakPolarHBondContact CA-O 3.42Å; N66-C70 PolarHBondContact OD1-O 3.12Å; N66-C70 VanDerWaalsContact OD1-O 3.13Å; R68-C70 VanDerWaalsContact C-N 3.34Å; C70-F83 WeakPolarHBondContact CB-O 3.34Å
71C89Confident87.5Confident1 Ų170.6 Ų70.61%0.00740%0.404CS..EExtended strand (participates in β ladder)trans-93.8138-175.4-62.60000110.5C45 C65 C82 F83C45-C71 WeakPolarHBondContact CA-SG 3.49Å; C45-C71 HydrophobicContact CB-CB 3.58Å; C45-C71 WeakPolarHBondContact CB-SG 3.35Å; C45-C71 WeakPolarHBondContact SG-CB 3.37Å; C45-C71 CovalentContact SG-SG 2.04Å; C45-C71 PolarHBondContact SG-SG 2.73Å; C65-C71 VanDerWaalsContact SG-C 3.59Å; C65-C71 PolarHBondContact SG-O 3.06Å; C71-C82 WeakPolarHBondContact O-CA 3.26Å; C71-F83 HydrophobicContact CB-CD1 4.45Å; C71-F83 HydrophobicContact CB-CD2 3.97Å; C71-F83 HydrophobicContact CB-CE1 3.98Å; C71-F83 HydrophobicContact CB-CE2 3.46Å; C71-F83 VanDerWaalsContact CB-CE2 3.46Å; C71-F83 HydrophobicContact CB-CG 4.44Å; C71-F83 HydrophobicContact CB-CZ 3.47Å; C71-F83 VanDerWaalsContact CB-CZ 3.47Å; C71-F83 PolarHBondContact N-O 3.15Å; C71-F83 WeakPolarHBondContact O-CD1 3.13Å; C71-F83 WeakPolarHBondContact O-CE1 3.34Å; C71-F83 PolarHBondContact O-N 3.18Å
72F90.5Very high87.6Confident53 Ų5367.8 Ų67.823%0.23239%0.387CS..EExtended strand (participates in β ladder)trans-111126176-172.3-89.9000111.6V60 P62 C65 W81V60-F72 VanDerWaalsContact O-CE2 3.26Å; V60-F72 WeakPolarHBondContact O-CE2 3.06Å; P62-F72 HydrophobicContact CB-CB 4.27Å; P62-F72 HydrophobicContact CB-CD1 3.68Å; P62-F72 HydrophobicContact CB-CD2 4.36Å; P62-F72 HydrophobicContact CB-CE1 4.05Å; P62-F72 HydrophobicContact CB-CG 3.84Å; P62-F72 HydrophobicContact CG-CE1 4.44Å; C65-F72 HydrophobicContact CB-CB 4.09Å; C65-F72 HydrophobicContact CB-CD2 3.99Å; F72-W81 CarbonylContact C-O 3.45Å; F72-W81 VanDerWaalsContact CA-O 3.24Å; F72-W81 WeakPolarHBondContact CA-O 3.21Å; F72-W81 HydrophobicContact CD2-CB 4.37Å; F72-W81 HydrophobicContact CE2-CB 3.87Å; F72-W81 HydrophobicContact CZ-CB 4.22Å; F72-W81 HydrophobicContact CZ-CE3 4.22Å
73D88.9Confident87.8Confident42 Ų4264.8 Ų64.823%0.22537%0.367CS..  trans-144.4110.7173.2-178.5-100.7000110.8R52 S75 W81 F83R52-D73 IonicContact CZ-OD1 3.2Å; R52-D73 PolarHBondContact NH1-O 2Å; R52-D73 IonicContact NH1-OD1 2.84Å; R52-D73 PolarHBondContact NH1-OD1 3.44Å; R52-D73 IonicContact NH2-OD1 2.7Å; R52-D73 PolarHBondContact NH2-OD1 2.88Å; D73-S75 PolarHBondContact OD1-N 2.9Å; D73-S75 PolarHBondContact OD2-OG 2.84Å; D73-W81 PolarHBondContact N-O 3.23Å; D73-W81 WeakPolarHBondContact O-CA 3.4Å; D73-F83 HydrophobicContact CB-CE1 3.57Å; D73-F83 HydrophobicContact CB-CZ 4.13Å
74S89.1Confident87.9Confident65 Ų6562.7 Ų62.746%0.45536%0.356SS..  trans-97.811.1177.358.20000113.5I76S74-I76 PolarHBondContact O-N 3.14Å
75S88.1Confident87.8Confident102 Ų10259.8 Ų59.871%0.71334%0.344SS*.SBendtrans-71.1-18.6-177.7-64.50000113.6D73D73-S75 PolarHBondContact OD1-N 2.9Å; D73-S75 PolarHBondContact OD2-OG 2.84Å
76I86.6Confident87.3Confident71 Ų7163.6 Ų63.636%0.36436%0.364SS..SBendtrans-124.9126.8-175.8-54.4173.5000109.2A49 S74 V79 W81A49-I76 HydrophobicContact CB-CD1 3.56Å; A49-I76 HydrophobicContact CB-CG2 4.27Å; S74-I76 PolarHBondContact O-N 3.14Å; I76-V79 HydrophobicContact CB-CG2 3.76Å; I76-V79 HydrophobicContact CG2-CG1 4.4Å; I76-V79 HydrophobicContact CG2-CG2 3.7Å; I76-V79 WeakPolarHBondContact O-CG2 3.4Å; I76-W81 PolarHBondContact O-NE1 2.99Å
77V85.9Confident86.3Confident124 Ų12467.1 Ų67.175%0.75238%0.378SS*.THydrogen-bonded Turntrans-87.1149.4176.5-66.90000111.1V79V77-V79 VanDerWaalsContact C-N 3.34Å
78G85.9Confident84.7Confident87 Ų8767 Ų6790%0.89737%0.373SS*.THydrogen-bonded Turntrans81.59.4179.600000115
79V88.8Confident82.9Confident38 Ų3869 Ų6923%0.2339%0.388CS..SBendtrans-128.2156.9173.9-63.60000109.8A49 I76 V77 W81A49-V79 HydrophobicContact CB-CG1 4.08Å; A49-V79 HydrophobicContact CB-CG2 4.3Å; I76-V79 HydrophobicContact CB-CG2 3.76Å; I76-V79 HydrophobicContact CG2-CG1 4.4Å; I76-V79 HydrophobicContact CG2-CG2 3.7Å; I76-V79 WeakPolarHBondContact O-CG2 3.4Å; V77-V79 VanDerWaalsContact C-N 3.34Å; V79-W81 PolarHBondContact O-N 3.26Å
80P89.2Confident81Confident38 Ų3870 Ų7025%0.24740%0.399CS..  trans-61.4123.517623.7-32.9000110.4R52 D54 C82R52-P80 HydrophobicContact CB-CG 3.9Å; D54-P80 HydrophobicContact CB-CB 4.04Å; D54-P80 HydrophobicContact CB-CG 4.44Å; D54-P80 WeakPolarHBondContact OD2-CB 3.26Å; P80-C82 VanDerWaalsContact C-N 3.34Å
81W91Very high78.6Confident101 Ų10177.3 Ų77.338%0.38343%0.432SS..SBendtrans-75-27.8176.5-66.9-12.3000112.2F72 D73 I76 V79F72-W81 CarbonylContact C-O 3.45Å; F72-W81 VanDerWaalsContact CA-O 3.24Å; F72-W81 WeakPolarHBondContact CA-O 3.21Å; F72-W81 HydrophobicContact CD2-CB 4.37Å; F72-W81 HydrophobicContact CE2-CB 3.87Å; F72-W81 HydrophobicContact CZ-CB 4.22Å; F72-W81 HydrophobicContact CZ-CE3 4.22Å; D73-W81 PolarHBondContact N-O 3.23Å; D73-W81 WeakPolarHBondContact O-CA 3.4Å; I76-W81 PolarHBondContact O-NE1 2.99Å; V79-W81 PolarHBondContact O-N 3.26Å
82C92Very high76.3Confident1 Ų181.6 Ų81.61%0.00746%0.461CS..EExtended strand (participates in β ladder)trans-106.4113.3172.2-174.60000110.2C55 V60 C65 C71 P80C55-C82 PolarHBondContact N-O 3.17Å; V60-C82 HydrophobicContact CG1-CB 3.35Å; C65-C82 VanDerWaalsContact CA-SG 3.57Å; C65-C82 HydrophobicContact CB-CB 3.76Å; C65-C82 WeakPolarHBondContact CB-SG 3.24Å; C65-C82 WeakPolarHBondContact SG-CA 3.37Å; C65-C82 WeakPolarHBondContact SG-CB 3.4Å; C65-C82 CovalentContact SG-SG 2.03Å; C65-C82 PolarHBondContact SG-SG 2.82Å; C71-C82 WeakPolarHBondContact O-CA 3.26Å; P80-C82 VanDerWaalsContact C-N 3.34Å
83F90.9Very high74.1Confident1 Ų182.7 Ų82.70%0.00448%0.475CS..EExtended strand (participates in β ladder)trans-133.6157.6-172.559.5-83.3000112.4V47 R52 V53 C70 C71 D73V47-F83 HydrophobicContact CB-CD2 3.75Å; V47-F83 HydrophobicContact CB-CE2 3.54Å; V47-F83 HydrophobicContact CG1-CD2 4.36Å; V47-F83 HydrophobicContact CG2-CD2 3.77Å; V47-F83 HydrophobicContact CG2-CE2 3.6Å; R52-F83 HydrophobicContact CB-CB 3.78Å; R52-F83 HydrophobicContact CB-CG 4.09Å; R52-F83 HydrophobicContact CG-CB 4.01Å; R52-F83 HydrophobicContact CG-CD1 4.1Å; R52-F83 HydrophobicContact CG-CD2 3.95Å; R52-F83 HydrophobicContact CG-CE2 4.5Å; R52-F83 HydrophobicContact CG-CG 3.73Å; V53-F83 CarbonylContact O-C 3.53Å; V53-F83 WeakPolarHBondContact O-CA 3.34Å; V53-F83 WeakPolarHBondContact O-CB 3.01Å; C70-F83 WeakPolarHBondContact CB-O 3.34Å; C71-F83 HydrophobicContact CB-CD1 4.45Å; C71-F83 HydrophobicContact CB-CD2 3.97Å; C71-F83 HydrophobicContact CB-CE1 3.98Å; C71-F83 HydrophobicContact CB-CE2 3.46Å; C71-F83 VanDerWaalsContact CB-CE2 3.46Å; C71-F83 HydrophobicContact CB-CG 4.44Å; C71-F83 HydrophobicContact CB-CZ 3.47Å; C71-F83 VanDerWaalsContact CB-CZ 3.47Å; C71-F83 PolarHBondContact N-O 3.15Å; C71-F83 WeakPolarHBondContact O-CD1 3.13Å; C71-F83 WeakPolarHBondContact O-CE1 3.34Å; C71-F83 PolarHBondContact O-N 3.18Å; D73-F83 HydrophobicContact CB-CE1 3.57Å; D73-F83 HydrophobicContact CB-CZ 4.13Å
84K88.7Confident71.5Confident105 Ų10591.5 Ų91.546%0.45751%0.512SS..PPolyproline II helixtrans-64.7139.2175.9-70.5-69.1-172-176.40110.8V53 C55V53-K84 HydrophobicContact CB-CB 4.42Å; V53-K84 HydrophobicContact CB-CG 4.34Å; V53-K84 HydrophobicContact CG1-CG 4.37Å; V53-K84 PolarHBondContact O-N 3.06Å; C55-K84 HydrophobicContact CB-CD 4.03Å; C55-K84 HydrophobicContact CB-CG 4.1Å
85P85.6Confident70.7Confident22 Ų2292.9 Ų92.914%0.14352%0.515CS..PPolyproline II helixtrans-63.2159.1170.724.4-30.6000111.6Q44 Q87Q44-P85 HydrophobicContact CB-CB 3.85Å; Q44-P85 CarbonylContact O-C 3.5Å; Q44-P85 WeakPolarHBondContact O-CA 3.5Å; Q44-P85 WeakPolarHBondContact O-CB 3.37Å; P85-Q87 PolarHBondContact O-N 3.28Å; P85-Q87 VanDerWaalsContact O-N 3.12Å
86L78.7Confident69.7Low80 Ų8092.4 Ų92.442%0.41951%0.505SS..PPolyproline II helixtrans-56.9117.4163.6-65.7176.4000108Q44 V47 E88Q44-L86 PolarHBondContact O-N 3.37Å; V47-L86 HydrophobicContact CB-CD2 4.49Å; V47-L86 HydrophobicContact CG2-CD2 3.76Å; V47-L86 HydrophobicContact CG2-CG 3.67Å; L86-E88 PolarHBondContact O-N 3.37Å
87Q62.7Low68.8Low159 Ų15993.6 Ų93.674%0.74351%0.513SS*.  trans-71.476.6171.7-60.1-92.3-92.500107.9P85 Q89P85-Q87 PolarHBondContact O-N 3.28Å; P85-Q87 VanDerWaalsContact O-N 3.12Å; Q87-Q89 PolarHBondContact O-N 2.9Å
88E52.8Low67.8Low141 Ų14191.8 Ų91.866%0.65950%0.498SS*.  trans-65.7130.8154-84.6-155.697.900106.4L86 G90L86-E88 PolarHBondContact O-N 3.37Å; E88-G90 PolarHBondContact O-N 3.27Å
89Q44.2Very low66.7Low184 Ų18492.1 Ų92.186%0.8647%0.474SS*.SBendtrans-58.277-178-64.6173.5-36.900112.1Q87Q87-Q89 PolarHBondContact O-N 2.9Å
90G44.1Very low65.2Low55 Ų5595.7 Ų95.757%0.56749%0.49SS*.  trans-155.936.2-176.300000109.8E88 C92E88-G90 PolarHBondContact O-N 3.27Å; G90-C92 PolarHBondContact O-N 3.13Å; G90-C92 VanDerWaalsContact O-N 3.12Å
91E37.9Very low63.5Low154 Ų15499.8 Ų99.872%0.7251%0.507SS*.  trans-60102.9137.7-160.985.466.300103.9S93E91-S93 PolarHBondContact O-N 3.33Å
92C40.9Very low61.4Low91 Ų9199.7 Ų99.762%0.61552%0.517SS*.  trans-66.878.2150.1-79.60000105.3G90G90-C92 PolarHBondContact O-N 3.13Å; G90-C92 VanDerWaalsContact O-N 3.12Å
93S43.5Very low58.8Low75 Ų75107.9 Ų107.952%0.52456%0.559SS.*  trans-84.6115.1163.2-140.90000106E91E91-S93 PolarHBondContact O-N 3.33Å
94F35.9Very low55.9Low228 Ų228117.6 Ų117.6100%161%0.61SS**  trans81.50176.1-56.4-81.1000116.7

Retrieved 94 of 94 residues in 96.9 ms (Link to these results)