A0A077ZKT8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZKT8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 107 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
1M59.6Low77.5Confident110 Ų11092.7 Ų92.754%0.54258%0.576SS.*  0126.70-66.1179.2175.600108.5F13 M16 I34 I37M1-F13 HydrophobicContact SD-CE2 3.89Å; M1-M16 HydrophobicContact CE-CE 4.08Å; M1-M16 HydrophobicContact SD-CE 4.21Å; M1-I34 HydrophobicContact CE-CD1 4.33Å; M1-I34 HydrophobicContact SD-CD1 3.93Å; M1-I37 HydrophobicContact CE-CB 4.4Å; M1-I37 HydrophobicContact CE-CG2 3.55Å
2P68.9Low77.5Confident123 Ų12391.8 Ų91.880%0.79958%0.575SS**PPolyproline II helixtrans-64.4138.717627.8-32.8000109.8
3V75.9Confident77.3Confident131 Ų13188.5 Ų88.579%0.79455%0.548SS*.PPolyproline II helixtrans-64.1125.8173.1-179.70000107.6A5V3-A5 PolarHBondContact O-N 2.91Å
4P76.8Confident77Confident45 Ų4585.7 Ų85.729%0.29254%0.538SS..PPolyproline II helixtrans-62.3126.1-178.524.5-32.5000109.9Q9 L10P4-Q9 HydrophobicContact CB-CB 3.76Å; P4-L10 HydrophobicContact CB-CB 4.39Å; P4-L10 HydrophobicContact CG-CD1 4.11Å
5A85.2Confident76.9Confident90 Ų9082.7 Ų82.774%0.74453%0.53SS*.  trans-91.3-10.6-177.200000113.1V3V3-A5 PolarHBondContact O-N 2.91Å
6N86.8Confident76.7Confident80 Ų8081.9 Ų81.943%0.42852%0.518SS..SBendtrans-151.9168.4-178.663.661.2000112.4S8 Q9 L10N6-S8 VanDerWaalsContact C-N 3.28Å; N6-S8 PolarHBondContact O-N 3.39Å; N6-S8 WeakPolarHBondContact OD1-CB 3.26Å; N6-S8 PolarHBondContact OD1-N 2.92Å; N6-S8 VanDerWaalsContact OD1-N 3.09Å; N6-Q9 PolarHBondContact O-N 3.31Å; N6-Q9 PolarHBondContact OD1-N 2.65Å; N6-L10 PolarHBondContact O-N 2.89Å
7V81.4Confident76.3Confident124 Ų12478.4 Ų78.475%0.75250%0.495SS*.Hα-helixtrans-61.7-33.3-176.9-177.80000112.7L10 G11V7-L10 PolarHBondContact O-N 2.88Å; V7-G11 PolarHBondContact O-N 3.21Å
8S79.4Confident76Confident89 Ų8980.5 Ų80.562%0.62250%0.502SS*.Hα-helixtrans-67.7-42.7177.5-175.60000111.7N6 G11 S12N6-S8 VanDerWaalsContact C-N 3.28Å; N6-S8 PolarHBondContact O-N 3.39Å; N6-S8 WeakPolarHBondContact OD1-CB 3.26Å; N6-S8 PolarHBondContact OD1-N 2.92Å; N6-S8 VanDerWaalsContact OD1-N 3.09Å; S8-G11 PolarHBondContact O-N 3.48Å; S8-S12 PolarHBondContact O-N 2.81Å; S8-S12 PolarHBondContact O-OG 3.13Å
9Q80.2Confident75.5Confident91 Ų9182.7 Ų82.743%0.42551%0.505SS..Hα-helixtrans-66.1-38.8173.3-71.9-179.5-7.200111.7P4 N6 S12 F13P4-Q9 HydrophobicContact CB-CB 3.76Å; N6-Q9 PolarHBondContact O-N 3.31Å; N6-Q9 PolarHBondContact OD1-N 2.65Å; Q9-S12 PolarHBondContact O-N 2.81Å; Q9-F13 WeakPolarHBondContact O-CB 3.35Å; Q9-F13 PolarHBondContact O-N 3.46Å
10L80.6Confident74.6Confident93 Ų9380.2 Ų80.249%0.48749%0.488SS..Hα-helixtrans-63.8-42.1175-176.264000111.7P4 N6 V7 F13 A14P4-L10 HydrophobicContact CB-CB 4.39Å; P4-L10 HydrophobicContact CG-CD1 4.11Å; N6-L10 PolarHBondContact O-N 2.89Å; V7-L10 PolarHBondContact O-N 2.88Å; L10-F13 PolarHBondContact O-N 3.42Å; L10-A14 WeakPolarHBondContact O-CB 3.11Å; L10-A14 PolarHBondContact O-N 2.93Å
11G78.1Confident73.7Confident44 Ų4477.4 Ų77.445%0.45448%0.476SS..Hα-helixtrans-62.5-42.117500000112.5V7 S8 F13 A14 G15V7-G11 PolarHBondContact O-N 3.21Å; S8-G11 PolarHBondContact O-N 3.48Å; G11-F13 VanDerWaalsContact C-N 3.35Å; G11-A14 PolarHBondContact O-N 3.24Å; G11-G15 PolarHBondContact O-N 3.03Å
12S77.1Confident73.7Confident81 Ų8179.3 Ų79.357%0.56648%0.483SS*.Hα-helixtrans-63.6-41.2175.1-56.30000111.7S8 Q9 G15 M16S8-S12 PolarHBondContact O-N 2.81Å; S8-S12 PolarHBondContact O-OG 3.13Å; Q9-S12 PolarHBondContact O-N 2.81Å; S12-G15 PolarHBondContact O-N 2.75Å; S12-M16 PolarHBondContact O-N 3.49Å
13F75.1Confident73.1Confident49 Ų4981.2 Ų81.222%0.21548%0.48CS..Hα-helixtrans-66.1-44176.4-176.3-109.8000112.3M1 Q9 L10 G11 G15 M16 I17 F30 I34M1-F13 HydrophobicContact SD-CE2 3.89Å; Q9-F13 WeakPolarHBondContact O-CB 3.35Å; Q9-F13 PolarHBondContact O-N 3.46Å; L10-F13 PolarHBondContact O-N 3.42Å; G11-F13 VanDerWaalsContact C-N 3.35Å; F13-G15 VanDerWaalsContact C-N 3.31Å; F13-G15 PolarHBondContact O-N 2.93Å; F13-M16 HydrophobicContact CD2-CE 3.58Å; F13-M16 HydrophobicContact CE2-CE 3.71Å; F13-M16 WeakPolarHBondContact O-CB 3.25Å; F13-M16 PolarHBondContact O-N 2.85Å; F13-I17 HydrophobicContact CD1-CD1 3.55Å; F13-I17 HydrophobicContact CE1-CD1 3.22Å; F13-I17 HydrophobicContact CE1-CG1 4.38Å; F13-I17 HydrophobicContact CE2-CD1 4.26Å; F13-I17 HydrophobicContact CG-CD1 4.22Å; F13-I17 HydrophobicContact CZ-CD1 3.63Å; F13-I17 HydrophobicContact CZ-CG1 4.41Å; F13-I17 WeakPolarHBondContact O-CG1 3.33Å; F13-I17 PolarHBondContact O-N 2.8Å; F13-F30 AromaticContact CE1-CZ 3.95Å; F13-F30 HydrophobicContact CE1-CZ 3.95Å; F13-F30 AromaticContact CZ-CZ 3.84Å; F13-F30 HydrophobicContact CZ-CZ 3.84Å; F13-I34 HydrophobicContact CZ-CD1 4.35Å
14A72.9Confident72.1Confident50 Ų5077 Ų7741%0.41345%0.452SS..Hα-helixtrans-63.6-37.8174.300000111.6L10 G11 I17 N18L10-A14 WeakPolarHBondContact O-CB 3.11Å; L10-A14 PolarHBondContact O-N 2.93Å; G11-A14 PolarHBondContact O-N 3.24Å; A14-I17 PolarHBondContact O-N 3.01Å; A14-N18 WeakPolarHBondContact O-CB 3.48Å; A14-N18 PolarHBondContact O-N 2.87Å
15G76.1Confident71.2Confident40 Ų4086 Ų8641%0.41248%0.48SS..Hα-helixtrans-61.5-45173.600000112.4G11 S12 F13 N18 H19G11-G15 PolarHBondContact O-N 3.03Å; S12-G15 PolarHBondContact O-N 2.75Å; F13-G15 VanDerWaalsContact C-N 3.31Å; F13-G15 PolarHBondContact O-N 2.93Å; G15-N18 PolarHBondContact O-N 3.3Å; G15-H19 VanDerWaalsContact O-CB 3.31Å; G15-H19 WeakPolarHBondContact O-CB 3.38Å; G15-H19 PolarHBondContact O-N 3.23Å
16M72.7Confident69.7Low70 Ų7089 Ų8935%0.34548%0.478SS..Hα-helixtrans-60.8-47.8174.6-174.1-177.571.200111.4M1 S12 F13 N18 H19 D20M1-M16 HydrophobicContact CE-CE 4.08Å; M1-M16 HydrophobicContact SD-CE 4.21Å; S12-M16 PolarHBondContact O-N 3.49Å; F13-M16 HydrophobicContact CD2-CE 3.58Å; F13-M16 HydrophobicContact CE2-CE 3.71Å; F13-M16 WeakPolarHBondContact O-CB 3.25Å; F13-M16 PolarHBondContact O-N 2.85Å; M16-N18 VanDerWaalsContact C-N 3.32Å; M16-N18 PolarHBondContact O-N 3.01Å; M16-H19 PolarHBondContact O-N 2.74Å; M16-D20 WeakPolarHBondContact O-CB 3.27Å; M16-D20 PolarHBondContact O-N 3.13Å
17I70.4Confident68.2Low23 Ų2388.8 Ų88.812%0.11848%0.477CS..Hα-helixtrans-63.2-38.2175.8-67.6159.6000111.8F13 A14 G21 L27 F30F13-I17 HydrophobicContact CD1-CD1 3.55Å; F13-I17 HydrophobicContact CE1-CD1 3.22Å; F13-I17 HydrophobicContact CE1-CG1 4.38Å; F13-I17 HydrophobicContact CE2-CD1 4.26Å; F13-I17 HydrophobicContact CG-CD1 4.22Å; F13-I17 HydrophobicContact CZ-CD1 3.63Å; F13-I17 HydrophobicContact CZ-CG1 4.41Å; F13-I17 WeakPolarHBondContact O-CG1 3.33Å; F13-I17 PolarHBondContact O-N 2.8Å; A14-I17 PolarHBondContact O-N 3.01Å; I17-G21 WeakPolarHBondContact O-CA 3.43Å; I17-G21 PolarHBondContact O-N 2.76Å; I17-L27 HydrophobicContact CG2-CD2 4.26Å; I17-F30 HydrophobicContact CD1-CE2 3.63Å; I17-F30 HydrophobicContact CD1-CZ 3.87Å; I17-F30 HydrophobicContact CG1-CE2 4.35Å
18N70Confident67.1Low116 Ų11688.8 Ų88.862%0.6248%0.481SS*.Hα-helixtrans-72.5-35-179.4-169.552.6000111.8A14 G15 M16A14-N18 WeakPolarHBondContact O-CB 3.48Å; A14-N18 PolarHBondContact O-N 2.87Å; G15-N18 PolarHBondContact O-N 3.3Å; M16-N18 VanDerWaalsContact C-N 3.32Å; M16-N18 PolarHBondContact O-N 3.01Å
19H67.2Low66.3Low122 Ų12288 Ų8857%0.56547%0.47SS*.Hα-helixtrans-64.9-48.6173.6-179.1-90.3000110.9G15 M16G15-H19 VanDerWaalsContact O-CB 3.31Å; G15-H19 WeakPolarHBondContact O-CB 3.38Å; G15-H19 PolarHBondContact O-N 3.23Å; M16-H19 PolarHBondContact O-N 2.74Å
20D57.8Low65.7Low32 Ų3288.1 Ų88.117%0.17147%0.469CS..Hα-helixtrans-80.1-23.4-177.7-60-18.6000112.1M16 Q22 F23 I37M16-D20 WeakPolarHBondContact O-CB 3.27Å; M16-D20 PolarHBondContact O-N 3.13Å; D20-Q22 VanDerWaalsContact C-N 3.26Å; D20-Q22 PolarHBondContact O-N 3.25Å; D20-F23 PolarHBondContact O-N 2.95Å; D20-I37 HydrophobicContact CB-CD1 4.08Å; D20-I37 HydrophobicContact CB-CG1 4.38Å
21G55Low65.4Low22 Ų2290 Ų9023%0.22748%0.48CS..Hα-helixtrans-68.7-18.7177.300000114I17 F23I17-G21 WeakPolarHBondContact O-CA 3.43Å; I17-G21 PolarHBondContact O-N 2.76Å; G21-F23 PolarHBondContact O-N 3.24Å
22Q59.8Low65Low150 Ų15093.8 Ų93.870%0.70148%0.484SS*.THydrogen-bonded Turntrans-65.4-24.8169.2-68.8-170.825.900112.4D20D20-Q22 VanDerWaalsContact C-N 3.26Å; D20-Q22 PolarHBondContact O-N 3.25Å
23F57.3Low64.7Low164 Ų16490 Ų9072%0.71946%0.457SS*.THydrogen-bonded Turntrans-95.5-15-177.2-64.2-83.3000113.4D20 G21D20-F23 PolarHBondContact O-N 2.95Å; G21-F23 PolarHBondContact O-N 3.24Å
24I54.8Low64.7Low42 Ų4289.2 Ų89.222%0.21546%0.455CS..  trans-114.888.2-176.2-52.2171000110.1H26 L27 V33 T36I24-H26 PolarHBondContact O-N 2.63Å; I24-L27 HydrophobicContact CB-CD1 4.47Å; I24-V33 HydrophobicContact CB-CG2 4.5Å; I24-V33 HydrophobicContact CD1-CB 4.34Å; I24-V33 HydrophobicContact CD1-CG1 4.01Å; I24-V33 HydrophobicContact CD1-CG2 4.12Å; I24-V33 HydrophobicContact CG2-CG2 4.05Å; I24-T36 HydrophobicContact CD1-CG2 4.23Å
25R56.2Low64.6Low233 Ų23390.1 Ų90.188%0.87946%0.458SS*.THydrogen-bonded Turntrans-62.612.4-178.5-103.9-174.7-93.8-151.4-4.4116.5
26H54.8Low64.3Low153 Ų15390.3 Ų90.371%0.70845%0.451SS*.THydrogen-bonded Turntrans-144.749.8-178.6-60.7-66.3000112.8I24 C28I24-H26 PolarHBondContact O-N 2.63Å; H26-C28 PolarHBondContact O-N 2.89Å
27L55.4Low64.1Low76 Ų7687.8 Ų87.840%0.39844%0.439SS..THydrogen-bonded Turntrans-56.1-3.4178.6-13186.9000115.7I17 I24 N29 V33I17-L27 HydrophobicContact CG2-CD2 4.26Å; I24-L27 HydrophobicContact CB-CD1 4.47Å; L27-N29 PolarHBondContact O-N 3.1Å; L27-V33 HydrophobicContact CD1-CG2 3.65Å; L27-V33 HydrophobicContact CG-CG2 3.9Å
28C58.2Low64.1Low124 Ų12491.9 Ų91.984%0.83846%0.461SS*.THydrogen-bonded Turntrans-60.4-15177.4-169.90000113.2H26H26-C28 PolarHBondContact O-N 2.89Å
29N62.9Low64.1Low72 Ų7288.1 Ų88.139%0.38544%0.444SS..  trans-115.392.3168.3-72.7-67.4000110L27 D31 K32 V33L27-N29 PolarHBondContact O-N 3.1Å; N29-D31 PolarHBondContact O-N 2.78Å; N29-K32 HydrophobicContact CB-CB 3.74Å; N29-K32 HydrophobicContact CB-CD 3.65Å; N29-K32 HydrophobicContact CB-CG 3.59Å; N29-K32 WeakPolarHBondContact O-CA 3.37Å; N29-K32 WeakPolarHBondContact O-CB 3.44Å; N29-K32 PolarHBondContact O-N 3.06Å; N29-V33 PolarHBondContact O-N 3.11Å; N29-V33 VanDerWaalsContact O-N 3.11Å
30F66.6Low64.1Low94 Ų9488.4 Ų88.441%0.41245%0.45SS..Hα-helixtrans-55-39.1174.5-168-101.1000111.5F13 I17 K32 V33 I34F13-F30 AromaticContact CE1-CZ 3.95Å; F13-F30 HydrophobicContact CE1-CZ 3.95Å; F13-F30 AromaticContact CZ-CZ 3.84Å; F13-F30 HydrophobicContact CZ-CZ 3.84Å; I17-F30 HydrophobicContact CD1-CE2 3.63Å; I17-F30 HydrophobicContact CD1-CZ 3.87Å; I17-F30 HydrophobicContact CG1-CE2 4.35Å; F30-K32 VanDerWaalsContact C-N 3.26Å; F30-K32 PolarHBondContact O-N 3.08Å; F30-V33 PolarHBondContact O-N 3.29Å; F30-V33 VanDerWaalsContact O-N 3.08Å; F30-I34 HydrophobicContact CD1-CD1 4.46Å; F30-I34 HydrophobicContact CD1-CG1 3.67Å; F30-I34 HydrophobicContact CE1-CD1 3.74Å; F30-I34 HydrophobicContact CE1-CG1 3.39Å; F30-I34 HydrophobicContact CE2-CD1 4.46Å; F30-I34 HydrophobicContact CG-CG1 4.37Å; F30-I34 HydrophobicContact CZ-CD1 3.75Å; F30-I34 HydrophobicContact CZ-CG1 3.88Å; F30-I34 WeakPolarHBondContact O-CG1 3.22Å; F30-I34 PolarHBondContact O-N 2.61Å
31D74.1Confident64.8Low133 Ų13393.8 Ų93.871%0.71148%0.477SS*.Hα-helixtrans-59.1-36174.6-65.2-52.8000112.8N29 S35N29-D31 PolarHBondContact O-N 2.78Å; D31-S35 WeakPolarHBondContact O-CB 3.45Å; D31-S35 PolarHBondContact O-N 3.41Å; D31-S35 PolarHBondContact O-OG 2.85Å
32K71.2Confident65.6Low124 Ų12496.1 Ų96.154%0.53948%0.484SS..Hα-helixtrans-71.9-35.5175.9-69.9-176.5-173.2174.50112N29 F30 S35 T36N29-K32 HydrophobicContact CB-CB 3.74Å; N29-K32 HydrophobicContact CB-CD 3.65Å; N29-K32 HydrophobicContact CB-CG 3.59Å; N29-K32 WeakPolarHBondContact O-CA 3.37Å; N29-K32 WeakPolarHBondContact O-CB 3.44Å; N29-K32 PolarHBondContact O-N 3.06Å; F30-K32 VanDerWaalsContact C-N 3.26Å; F30-K32 PolarHBondContact O-N 3.08Å; K32-S35 VanDerWaalsContact CA-OG 3.32Å; K32-S35 WeakPolarHBondContact CA-OG 3.3Å; K32-S35 PolarHBondContact O-OG 3.4Å; K32-T36 VanDerWaalsContact O-CB 3.27Å; K32-T36 WeakPolarHBondContact O-CB 3.38Å; K32-T36 PolarHBondContact O-N 2.91Å; K32-T36 PolarHBondContact O-OG1 2.76Å
33V70.1Confident66.6Low0 Ų094 Ų940%048%0.477CS..Hα-helixtrans-66.9-50.2175.5172.90000109.5I24 L27 N29 F30 S35 T36 I37I24-V33 HydrophobicContact CB-CG2 4.5Å; I24-V33 HydrophobicContact CD1-CB 4.34Å; I24-V33 HydrophobicContact CD1-CG1 4.01Å; I24-V33 HydrophobicContact CD1-CG2 4.12Å; I24-V33 HydrophobicContact CG2-CG2 4.05Å; L27-V33 HydrophobicContact CD1-CG2 3.65Å; L27-V33 HydrophobicContact CG-CG2 3.9Å; N29-V33 PolarHBondContact O-N 3.11Å; N29-V33 VanDerWaalsContact O-N 3.11Å; F30-V33 PolarHBondContact O-N 3.29Å; F30-V33 VanDerWaalsContact O-N 3.08Å; V33-S35 VanDerWaalsContact C-N 3.3Å; V33-S35 PolarHBondContact O-N 2.8Å; V33-T36 CarbonylContact O-C 3.47Å; V33-T36 PolarHBondContact O-N 3.25Å; V33-T36 VanDerWaalsContact O-N 3.1Å; V33-I37 HydrophobicContact CG1-CD1 3.59Å; V33-I37 HydrophobicContact CG1-CG1 4.26Å; V33-I37 WeakPolarHBondContact O-CB 3.32Å; V33-I37 VanDerWaalsContact O-CG1 3.3Å; V33-I37 WeakPolarHBondContact O-CG1 3.24Å; V33-I37 PolarHBondContact O-N 2.77Å
34I74.2Confident67.7Low33 Ų3388.8 Ų88.817%0.16946%0.457CS..Hα-helixtrans-62.9-38.4177.5-62.5-62.4000111M1 F13 F30 T36 N38M1-I34 HydrophobicContact CE-CD1 4.33Å; M1-I34 HydrophobicContact SD-CD1 3.93Å; F13-I34 HydrophobicContact CZ-CD1 4.35Å; F30-I34 HydrophobicContact CD1-CD1 4.46Å; F30-I34 HydrophobicContact CD1-CG1 3.67Å; F30-I34 HydrophobicContact CE1-CD1 3.74Å; F30-I34 HydrophobicContact CE1-CG1 3.39Å; F30-I34 HydrophobicContact CE2-CD1 4.46Å; F30-I34 HydrophobicContact CG-CG1 4.37Å; F30-I34 HydrophobicContact CZ-CD1 3.75Å; F30-I34 HydrophobicContact CZ-CG1 3.88Å; F30-I34 WeakPolarHBondContact O-CG1 3.22Å; F30-I34 PolarHBondContact O-N 2.61Å; I34-T36 VanDerWaalsContact C-N 3.33Å; I34-N38 VanDerWaalsContact CG2-ND2 3.3Å; I34-N38 WeakPolarHBondContact CG2-ND2 3.16Å; I34-N38 VanDerWaalsContact O-CB 3.28Å; I34-N38 WeakPolarHBondContact O-CB 3.28Å; I34-N38 VanDerWaalsContact O-CG 3.32Å; I34-N38 PolarHBondContact O-N 2.94Å; I34-N38 PolarHBondContact O-ND2 2.82Å
35S70.8Confident69.1Low69 Ų6994.3 Ų94.348%0.48348%0.482SS..Hα-helixtrans-66.3-36.3174.574.80000111.9D31 K32 V33 N38 S39D31-S35 WeakPolarHBondContact O-CB 3.45Å; D31-S35 PolarHBondContact O-N 3.41Å; D31-S35 PolarHBondContact O-OG 2.85Å; K32-S35 VanDerWaalsContact CA-OG 3.32Å; K32-S35 WeakPolarHBondContact CA-OG 3.3Å; K32-S35 PolarHBondContact O-OG 3.4Å; V33-S35 VanDerWaalsContact C-N 3.3Å; V33-S35 PolarHBondContact O-N 2.8Å; S35-N38 CarbonylContact O-C 3.58Å; S35-S39 VanDerWaalsContact O-CB 3.24Å; S35-S39 WeakPolarHBondContact O-CB 3.18Å; S35-S39 PolarHBondContact O-N 3.28Å
36T70.9Confident70.5Confident45 Ų4588.4 Ų88.428%0.27646%0.46SS..Hα-helixtrans-72.4-42.4177.4-55.10000111.1I24 K32 V33 I34 N38 S39 L41I24-T36 HydrophobicContact CD1-CG2 4.23Å; K32-T36 VanDerWaalsContact O-CB 3.27Å; K32-T36 WeakPolarHBondContact O-CB 3.38Å; K32-T36 PolarHBondContact O-N 2.91Å; K32-T36 PolarHBondContact O-OG1 2.76Å; V33-T36 CarbonylContact O-C 3.47Å; V33-T36 PolarHBondContact O-N 3.25Å; V33-T36 VanDerWaalsContact O-N 3.1Å; I34-T36 VanDerWaalsContact C-N 3.33Å; T36-N38 VanDerWaalsContact C-N 3.27Å; T36-N38 PolarHBondContact O-N 3.18Å; T36-S39 WeakPolarHBondContact CA-OG 3.28Å; T36-S39 WeakPolarHBondContact O-CB 2.89Å; T36-S39 PolarHBondContact O-N 2.88Å; T36-S39 PolarHBondContact O-OG 2.74Å; T36-L41 HydrophobicContact CG2-CB 4.46Å
37I69.2Low72Confident17 Ų1783.6 Ų83.69%0.08744%0.439CS..Hα-helixtrans-64.3-34.6175.2-67.5171.4000110.7M1 D20 V33 S39 L42M1-I37 HydrophobicContact CE-CB 4.4Å; M1-I37 HydrophobicContact CE-CG2 3.55Å; D20-I37 HydrophobicContact CB-CD1 4.08Å; D20-I37 HydrophobicContact CB-CG1 4.38Å; V33-I37 HydrophobicContact CG1-CD1 3.59Å; V33-I37 HydrophobicContact CG1-CG1 4.26Å; V33-I37 WeakPolarHBondContact O-CB 3.32Å; V33-I37 VanDerWaalsContact O-CG1 3.3Å; V33-I37 WeakPolarHBondContact O-CG1 3.24Å; V33-I37 PolarHBondContact O-N 2.77Å; I37-S39 VanDerWaalsContact C-N 3.31Å; I37-L42 HydrophobicContact CB-CD1 4.32Å; I37-L42 HydrophobicContact CG2-CD1 3.95Å; I37-L42 WeakPolarHBondContact O-CD1 3.23Å
38N68.5Low73.6Confident109 Ų10984 Ų8458%0.58345%0.448SS*.THydrogen-bonded Turntrans-85.5-0173.7-69.7-47.9000113.8I34 S35 T36I34-N38 VanDerWaalsContact CG2-ND2 3.3Å; I34-N38 WeakPolarHBondContact CG2-ND2 3.16Å; I34-N38 VanDerWaalsContact O-CB 3.28Å; I34-N38 WeakPolarHBondContact O-CB 3.28Å; I34-N38 VanDerWaalsContact O-CG 3.32Å; I34-N38 PolarHBondContact O-N 2.94Å; I34-N38 PolarHBondContact O-ND2 2.82Å; S35-N38 CarbonylContact O-C 3.58Å; T36-N38 VanDerWaalsContact C-N 3.27Å; T36-N38 PolarHBondContact O-N 3.18Å
39S70.8Confident75Confident36 Ų3685.8 Ų85.825%0.25244%0.444SS..SBendtrans-91.1165.3179.472.50000111.8S35 T36 I37 L41S35-S39 VanDerWaalsContact O-CB 3.24Å; S35-S39 WeakPolarHBondContact O-CB 3.18Å; S35-S39 PolarHBondContact O-N 3.28Å; T36-S39 WeakPolarHBondContact CA-OG 3.28Å; T36-S39 WeakPolarHBondContact O-CB 2.89Å; T36-S39 PolarHBondContact O-N 2.88Å; T36-S39 PolarHBondContact O-OG 2.74Å; I37-S39 VanDerWaalsContact C-N 3.31Å; S39-L41 PolarHBondContact O-N 3.16Å; S39-L41 WeakPolarHBondContact OG-CB 3.28Å; S39-L41 VanDerWaalsContact OG-CD1 3.23Å; S39-L41 WeakPolarHBondContact OG-CD1 3.45Å; S39-L41 PolarHBondContact OG-N 2.75Å
40D68.5Low76.2Confident129 Ų12984.7 Ų84.769%0.6944%0.436SS*.THydrogen-bonded Turntrans-67.15.3172-65.7-56.4000114L42 K77D40-L42 VanDerWaalsContact C-N 3.31Å; D40-K77 WeakPolarHBondContact OD1-CE 3.37Å; D40-K77 IonicContact OD1-NZ 3.7Å; D40-K77 PolarHBondContact OD1-NZ 2.85Å
41L70.6Confident77.4Confident144 Ų14486.7 Ų86.775%0.75445%0.447SS*.THydrogen-bonded Turntrans-78.3-11.3175.3-77.7124.4000113.8T36 S39T36-L41 HydrophobicContact CG2-CB 4.46Å; S39-L41 PolarHBondContact O-N 3.16Å; S39-L41 WeakPolarHBondContact OG-CB 3.28Å; S39-L41 VanDerWaalsContact OG-CD1 3.23Å; S39-L41 WeakPolarHBondContact OG-CD1 3.45Å; S39-L41 PolarHBondContact OG-N 2.75Å
42L72.5Confident78.1Confident71 Ų7184.3 Ų84.337%0.37243%0.433SS..SBendtrans-78.4152.6175.8-70-165.7000112.3I37 D40 N44I37-L42 HydrophobicContact CB-CD1 4.32Å; I37-L42 HydrophobicContact CG2-CD1 3.95Å; I37-L42 WeakPolarHBondContact O-CD1 3.23Å; D40-L42 VanDerWaalsContact C-N 3.31Å; L42-N44 PolarHBondContact O-N 2.83Å
43L81Confident79Confident105 Ų10580.5 Ų80.555%0.5542%0.418SS..PPolyproline II helixtrans-60.3122.7167.4-64.4175.5000108.8A78L43-A78 CarbonylContact C-O 3.59Å; L43-A78 VanDerWaalsContact CA-O 3.27Å; L43-A78 WeakPolarHBondContact CA-O 3.48Å; L43-A78 HydrophobicContact CD2-CB 3.92Å
44N81.2Confident79.9Confident56 Ų5684.2 Ų84.230%0.29945%0.449SS..PPolyproline II helixtrans-81.8159.7177.8-157.78.4000110.7L42 Y71 K77 A78L42-N44 PolarHBondContact O-N 2.83Å; N44-Y71 PolarHBondContact ND2-OH 3.32Å; N44-K77 HydrophobicContact CB-CB 3.84Å; N44-K77 HydrophobicContact CB-CD 4.45Å; N44-K77 WeakPolarHBondContact ND2-CD 3.31Å; N44-A78 PolarHBondContact N-O 2.88Å
45H84Confident80.5Confident157 Ų15785.1 Ų85.173%0.72746%0.462SS*.PPolyproline II helixtrans-68143.8172.8-166.370.3000110.5D47H45-D47 PolarHBondContact O-N 2.8Å
46Y85.4Confident81.3Confident110 Ų11083.7 Ų83.743%0.43145%0.454SS..PPolyproline II helixtrans-62.3120.5172.5174.8-100.8000110.3C48 I52 I79Y46-C48 HydrophobicContact CE1-CB 3.77Å; Y46-I52 HydrophobicContact CE2-CD1 3.58Å; Y46-I52 HydrophobicContact CE2-CG1 4.06Å; Y46-I79 HydrophobicContact CD2-CD1 4.14Å
47D86.2Confident82Confident51 Ų5186.9 Ų86.927%0.27347%0.469SS..  trans-108.8116.3171.7-178.8-4.3000108.8H45 H49 Q50 N69H45-D47 PolarHBondContact O-N 2.8Å; D47-H49 PolarHBondContact O-N 3.21Å; D47-H49 WeakPolarHBondContact OD1-CB 3.38Å; D47-H49 IonicContact OD1-CD2 2.74Å; D47-H49 IonicContact OD1-CG 3.91Å; D47-H49 PolarHBondContact OD1-N 2.83Å; D47-Q50 HydrophobicContact CB-CG 4.01Å; D47-Q50 PolarHBondContact O-N 3.09Å; D47-Q50 WeakPolarHBondContact OD2-CG 3.27Å; D47-Q50 PolarHBondContact OD2-NE2 3.18Å; D47-N69 WeakPolarHBondContact CA-ND2 3.29Å; D47-N69 WeakPolarHBondContact CB-ND2 3.37Å; D47-N69 PolarHBondContact N-ND2 3.47Å; D47-N69 VanDerWaalsContact N-ND2 3.13Å; D47-N69 PolarHBondContact O-ND2 3.36Å
48C87.9Confident82.7Confident85 Ų8587.4 Ų87.457%0.57448%0.476SS*.THydrogen-bonded Turntrans-71.6-9.8-177.961.50000114Y46Y46-C48 HydrophobicContact CE1-CB 3.77Å
49H88.7Confident83.3Confident162 Ų16285 Ų8575%0.7547%0.468SS*.THydrogen-bonded Turntrans-93.4-10179.6-65-70.9000113.8D47D47-H49 PolarHBondContact O-N 3.21Å; D47-H49 WeakPolarHBondContact OD1-CB 3.38Å; D47-H49 IonicContact OD1-CD2 2.74Å; D47-H49 IonicContact OD1-CG 3.91Å; D47-H49 PolarHBondContact OD1-N 2.83Å
50Q88.8Confident83.7Confident48 Ų4886.8 Ų86.822%0.22448%0.48CS..SBendtrans-97.2157.4176.8-53.2-61.5-12.200110.7D47 N69 Y71D47-Q50 HydrophobicContact CB-CG 4.01Å; D47-Q50 PolarHBondContact O-N 3.09Å; D47-Q50 WeakPolarHBondContact OD2-CG 3.27Å; D47-Q50 PolarHBondContact OD2-NE2 3.18Å; Q50-N69 HydrophobicContact CB-CB 3.96Å; Q50-Y71 HydrophobicContact CG-CD1 3.85Å; Q50-Y71 HydrophobicContact CG-CE1 3.7Å
51E90Very high84.3Confident136 Ų13686.2 Ų86.264%0.63648%0.477SS*.EExtended strand (participates in β ladder)trans-70137.3175.1171.9177.312700110.1N69 S70E51-N69 CarbonylContact O-C 3.59Å; E51-N69 VanDerWaalsContact O-CA 3.28Å; E51-N69 WeakPolarHBondContact O-CA 3.34Å; E51-S70 VanDerWaalsContact CB-OG 3.27Å; E51-S70 WeakPolarHBondContact CB-OG 3.16Å; E51-S70 PolarHBondContact N-O 3.41Å; E51-S70 PolarHBondContact O-N 2.87Å; E51-S70 PolarHBondContact O-OG 2.83Å
52I89.8Confident84.9Confident84 Ų8479.9 Ų79.943%0.43145%0.447SS..EExtended strand (participates in β ladder)trans-97.2125.1-179.8-57.6164.5000108.6Y46 I67 S68Y46-I52 HydrophobicContact CE2-CD1 3.58Å; Y46-I52 HydrophobicContact CE2-CG1 4.06Å; I52-I67 HydrophobicContact CG2-CG2 3.64Å; I52-S68 CarbonylContact C-O 3.51Å; I52-S68 WeakPolarHBondContact CA-O 3.47Å
53I89.1Confident85.6Confident43 Ų4377.3 Ų77.322%0.22143%0.433CS..EExtended strand (participates in β ladder)trans-108.1130174.6-61.4-178.8000108.8I67 S68 E76I53-I67 CarbonylContact O-C 3.57Å; I53-I67 WeakPolarHBondContact O-CA 3.42Å; I53-S68 PolarHBondContact N-O 2.84Å; I53-S68 PolarHBondContact O-N 2.9Å; I53-S68 PolarHBondContact O-OG 2.77Å; I53-E76 HydrophobicContact CD1-CG 4.04Å; I53-E76 VanDerWaalsContact CD1-OE1 3.25Å; I53-E76 WeakPolarHBondContact CD1-OE1 3.37Å
54A89Confident85.9Confident78 Ų7879 Ų7965%0.64543%0.432SS*.EExtended strand (participates in β ladder)trans-113.3112.8172.900000109.6V66A54-V66 WeakPolarHBondContact CA-O 3.37Å
55A88.1Confident86.1Confident53 Ų5377 Ų7744%0.43842%0.424SS..EExtended strand (participates in β ladder)trans-105130.3175.400000109.6A65 V66A55-A65 CarbonylContact O-C 3.49Å; A55-A65 WeakPolarHBondContact O-CA 3.5Å; A55-V66 PolarHBondContact N-O 3.3Å; A55-V66 PolarHBondContact O-N 2.94Å
56A88Confident86.4Confident38 Ų3871.3 Ų71.331%0.31440%0.4SS..EExtended strand (participates in β ladder)trans-131.1125.1176.200000111.5R64 A65 R102A56-R64 CarbonylContact C-O 3.52Å; A56-R64 WeakPolarHBondContact CA-O 3.43Å; A56-A65 HydrophobicContact CB-CB 4.16Å; A56-R102 PolarHBondContact O-NH1 2.93Å
57N85.1Confident86.6Confident112 Ų11269.6 Ų69.660%0.59940%0.398SS*.EExtended strand (participates in β ladder)trans-115.3144.5176.1-169.320.8000111.2R64N57-R64 PolarHBondContact N-O 2.83Å; N57-R64 PolarHBondContact O-N 2.97Å; N57-R64 VanDerWaalsContact O-O 3.09Å
58A83Confident86.8Confident29 Ų2967.4 Ų67.424%0.2439%0.387CS..EExtended strand (participates in β ladder)trans-129.1125.3176.500000108.9L63A58-L63 HydrophobicContact CB-CD2 3.43Å; A58-L63 VanDerWaalsContact CB-CD2 3.43Å
59S82.1Confident86.9Confident59 Ų5963.4 Ų63.441%0.41336%0.359SS..  trans-114.4174.6174.571.40000110.3N61 G62S59-N61 PolarHBondContact O-N 3.07Å; S59-N61 PolarHBondContact OG-N 2.71Å; S59-G62 PolarHBondContact N-O 3.36Å; S59-G62 PolarHBondContact OG-N 3.34Å; S59-G62 PolarHBondContact OG-O 3.41Å; S59-G62 VanDerWaalsContact OG-O 3.09Å
60S79.7Confident87Confident73 Ų7356.6 Ų56.651%0.5133%0.33SS..SBendtrans-60.2-22.8170.352.40000113.3A91S60-A91 WeakPolarHBondContact O-CB 3.27Å
61N80.3Confident87Confident116 Ų11656.7 Ų56.762%0.6233%0.329SS*.SBendtrans-102.3-16.2-170.7-60.52.9000112.6S59 T85 L86S59-N61 PolarHBondContact O-N 3.07Å; S59-N61 PolarHBondContact OG-N 2.71Å; N61-T85 WeakPolarHBondContact O-CA 3.44Å; N61-T85 WeakPolarHBondContact O-CG2 3.38Å; N61-L86 PolarHBondContact O-N 2.81Å
62G84.1Confident86.9Confident12 Ų1257.2 Ų57.212%0.12434%0.341CS..EExtended strand (participates in β ladder)trans177162.2-16600000114.1S59 C84S59-G62 PolarHBondContact N-O 3.36Å; S59-G62 PolarHBondContact OG-N 3.34Å; S59-G62 PolarHBondContact OG-O 3.41Å; S59-G62 VanDerWaalsContact OG-O 3.09Å; G62-C84 CarbonylContact C-O 3.47Å; G62-C84 WeakPolarHBondContact CA-O 3.48Å
63L85.8Confident87Confident16 Ų1659.2 Ų59.28%0.08435%0.352CS..EExtended strand (participates in β ladder)trans-103.8145.7167.6-59.9173.4000108.9A58 S83 C84 L86 L101 F105A58-L63 HydrophobicContact CB-CD2 3.43Å; A58-L63 VanDerWaalsContact CB-CD2 3.43Å; L63-S83 WeakPolarHBondContact O-CA 3Å; L63-C84 PolarHBondContact N-O 2.64Å; L63-C84 PolarHBondContact O-N 3.29Å; L63-L86 HydrophobicContact CD1-CD2 4.45Å; L63-L86 HydrophobicContact CG-CD2 4.26Å; L63-L101 HydrophobicContact CD1-CB 4.22Å; L63-L101 HydrophobicContact CD1-CD2 4.04Å; L63-F105 HydrophobicContact CB-CD2 4.34Å; L63-F105 HydrophobicContact CB-CE2 4.47Å; L63-F105 HydrophobicContact CB-CG 4.41Å; L63-F105 HydrophobicContact CD1-CB 4.29Å; L63-F105 HydrophobicContact CD1-CD2 4.27Å; L63-F105 HydrophobicContact CD1-CG 4.35Å
64R87Confident86.8Confident140 Ų14060.3 Ų60.353%0.52837%0.374SS..EExtended strand (participates in β ladder)trans-139.8139.2171.3-173168.9-172.81561.4109.5A56 N57 D81 A82A56-R64 CarbonylContact C-O 3.52Å; A56-R64 WeakPolarHBondContact CA-O 3.43Å; N57-R64 PolarHBondContact N-O 2.83Å; N57-R64 PolarHBondContact O-N 2.97Å; N57-R64 VanDerWaalsContact O-O 3.09Å; R64-D81 IonicContact CZ-OD2 2.75Å; R64-D81 IonicContact NE-OD1 3.64Å; R64-D81 IonicContact NE-OD2 3.16Å; R64-D81 PolarHBondContact NE-OD2 3.34Å; R64-D81 IonicContact NH2-OD1 3.85Å; R64-D81 IonicContact NH2-OD2 2.77Å; R64-D81 PolarHBondContact NH2-OD2 2.85Å; R64-A82 CarbonylContact C-O 3.51Å; R64-A82 WeakPolarHBondContact CA-O 3.35Å
65A86.8Confident86.8Confident16 Ų1658.3 Ų58.313%0.13236%0.356CS..EExtended strand (participates in β ladder)trans-134.6145169.700000110.1A55 A56 A82 F105A55-A65 CarbonylContact O-C 3.49Å; A55-A65 WeakPolarHBondContact O-CA 3.5Å; A56-A65 HydrophobicContact CB-CB 4.16Å; A65-A82 PolarHBondContact N-O 3.01Å; A65-A82 PolarHBondContact O-N 3.41Å; A65-A82 VanDerWaalsContact O-O 3.09Å; A65-F105 HydrophobicContact CB-CD1 3.77Å; A65-F105 HydrophobicContact CB-CE1 3.55Å
66V88.7Confident86.8Confident37 Ų3761.6 Ų61.622%0.22436%0.362CS..EExtended strand (participates in β ladder)trans-128.7135.1175.8178.80000107.4A54 A55 A78 S80 D81A54-V66 WeakPolarHBondContact CA-O 3.37Å; A55-V66 PolarHBondContact N-O 3.3Å; A55-V66 PolarHBondContact O-N 2.94Å; V66-A78 HydrophobicContact CG1-CB 3.86Å; V66-S80 CarbonylContact C-O 3.46Å; V66-S80 WeakPolarHBondContact CA-O 3.49Å; V66-D81 VanDerWaalsContact CG2-OD2 3.29Å; V66-D81 WeakPolarHBondContact CG2-OD2 3.3Å
67I89.7Confident86.7Confident74 Ų7462.6 Ų62.638%0.37936%0.359SS..EExtended strand (participates in β ladder)trans-104.8125.1167.2-58.7177.1000106.5I52 I53 I79 S80I52-I67 HydrophobicContact CG2-CG2 3.64Å; I53-I67 CarbonylContact O-C 3.57Å; I53-I67 WeakPolarHBondContact O-CA 3.42Å; I67-I79 PolarHBondContact O-N 2.97Å; I67-S80 PolarHBondContact N-O 3.09Å; I67-S80 PolarHBondContact O-N 3.32Å; I67-S80 VanDerWaalsContact O-N 3.16Å
68S90.3Very high86.8Confident5 Ų559 Ų594%0.03535%0.345CS..EExtended strand (participates in β ladder)trans-126.8157.217747.50000111I52 I53 K77I52-S68 CarbonylContact C-O 3.51Å; I52-S68 WeakPolarHBondContact CA-O 3.47Å; I53-S68 PolarHBondContact N-O 2.84Å; I53-S68 PolarHBondContact O-N 2.9Å; I53-S68 PolarHBondContact O-OG 2.77Å; S68-K77 CarbonylContact C-O 3.57Å; S68-K77 WeakPolarHBondContact CA-O 3.35Å; S68-K77 VanDerWaalsContact CB-O 3.28Å; S68-K77 WeakPolarHBondContact CB-O 3.2Å
69N90.7Very high87.1Confident0 Ų059 Ų590%034%0.341CS..EExtended strand (participates in β ladder)trans-97.9132.9163.5-8716.7000109.4D47 Q50 E51 Y71 E76 K77 I79D47-N69 WeakPolarHBondContact CA-ND2 3.29Å; D47-N69 WeakPolarHBondContact CB-ND2 3.37Å; D47-N69 PolarHBondContact N-ND2 3.47Å; D47-N69 VanDerWaalsContact N-ND2 3.13Å; D47-N69 PolarHBondContact O-ND2 3.36Å; Q50-N69 HydrophobicContact CB-CB 3.96Å; E51-N69 CarbonylContact O-C 3.59Å; E51-N69 VanDerWaalsContact O-CA 3.28Å; E51-N69 WeakPolarHBondContact O-CA 3.34Å; N69-Y71 HydrophobicContact CB-CE2 4.35Å; N69-E76 CarbonylContact O-C 3.6Å; N69-E76 WeakPolarHBondContact O-CA 3.4Å; N69-K77 PolarHBondContact N-O 3.22Å; N69-K77 PolarHBondContact O-N 2.95Å; N69-I79 HydrophobicContact CB-CD1 3.74Å; N69-I79 WeakPolarHBondContact OD1-CD1 3.49Å
70S91.2Very high87.3Confident19 Ų1958.9 Ų58.913%0.13334%0.34CS..EExtended strand (participates in β ladder)trans-97.1129.8168.953.20000110.9E51 S75E51-S70 VanDerWaalsContact CB-OG 3.27Å; E51-S70 WeakPolarHBondContact CB-OG 3.16Å; E51-S70 PolarHBondContact N-O 3.41Å; E51-S70 PolarHBondContact O-N 2.87Å; E51-S70 PolarHBondContact O-OG 2.83Å; S70-S75 WeakPolarHBondContact CA-O 3.32Å
71Y88.9Confident87.7Confident50 Ų5058 Ų5820%0.19633%0.33CS..PPolyproline II helixtrans-97.2161.7179.9-64.7-88.8000111N44 Q50 N69 D73 G74 S75 K77N44-Y71 PolarHBondContact ND2-OH 3.32Å; Q50-Y71 HydrophobicContact CG-CD1 3.85Å; Q50-Y71 HydrophobicContact CG-CE1 3.7Å; N69-Y71 HydrophobicContact CB-CE2 4.35Å; Y71-D73 WeakPolarHBondContact CB-OD1 3.49Å; Y71-D73 PolarHBondContact O-N 2.9Å; Y71-D73 VanDerWaalsContact O-N 3.13Å; Y71-G74 PolarHBondContact O-N 3.36Å; Y71-S75 WeakPolarHBondContact CD2-O 3.5Å; Y71-S75 WeakPolarHBondContact CD2-OG 3.34Å; Y71-S75 PolarHBondContact N-O 2.87Å; Y71-K77 HydrophobicContact CD2-CD 4.49Å; Y71-K77 HydrophobicContact CD2-CG 4.29Å; Y71-K77 HydrophobicContact CE2-CB 3.86Å; Y71-K77 HydrophobicContact CE2-CD 3.66Å; Y71-K77 HydrophobicContact CE2-CG 3.61Å
72V88.4Confident87.9Confident147 Ų14754.6 Ų54.689%0.89132%0.317SS*.THydrogen-bonded Turntrans-60.5-23.3179.1-1780000112.8G74V72-G74 PolarHBondContact O-N 2.98Å
73D90.2Very high87.9Confident126 Ų12657.9 Ų57.967%0.67434%0.339SS*.THydrogen-bonded Turntrans-78.2-1.4175.167.9-6.9000113.7Y71 S75Y71-D73 WeakPolarHBondContact CB-OD1 3.49Å; Y71-D73 PolarHBondContact O-N 2.9Å; Y71-D73 VanDerWaalsContact O-N 3.13Å; D73-S75 VanDerWaalsContact C-N 3.31Å; D73-S75 VanDerWaalsContact OD1-CB 3.26Å; D73-S75 WeakPolarHBondContact OD1-CB 3.41Å; D73-S75 PolarHBondContact OD1-N 3.38Å; D73-S75 PolarHBondContact OD1-OG 2.92Å; D73-S75 PolarHBondContact OD2-OG 3.38Å
74G86.9Confident87.7Confident66 Ų6660.2 Ų60.268%0.6836%0.356SS*.SBendtrans82.33.8-177.100000114.1Y71 V72Y71-G74 PolarHBondContact O-N 3.36Å; V72-G74 PolarHBondContact O-N 2.98Å
75S87.1Confident87.5Confident37 Ų3758.9 Ų58.926%0.25936%0.363SS..  trans-75.6144.5173.369.50000111S70 Y71 D73S70-S75 WeakPolarHBondContact CA-O 3.32Å; Y71-S75 WeakPolarHBondContact CD2-O 3.5Å; Y71-S75 WeakPolarHBondContact CD2-OG 3.34Å; Y71-S75 PolarHBondContact N-O 2.87Å; D73-S75 VanDerWaalsContact C-N 3.31Å; D73-S75 VanDerWaalsContact OD1-CB 3.26Å; D73-S75 WeakPolarHBondContact OD1-CB 3.41Å; D73-S75 PolarHBondContact OD1-N 3.38Å; D73-S75 PolarHBondContact OD1-OG 2.92Å; D73-S75 PolarHBondContact OD2-OG 3.38Å
76E88.2Confident87Confident121 Ų12159.4 Ų59.457%0.56536%0.363SS*.EExtended strand (participates in β ladder)trans-116.1131.2171-68.4-176.2-164.800109.2I53 N69I53-E76 HydrophobicContact CD1-CG 4.04Å; I53-E76 VanDerWaalsContact CD1-OE1 3.25Å; I53-E76 WeakPolarHBondContact CD1-OE1 3.37Å; N69-E76 CarbonylContact O-C 3.6Å; N69-E76 WeakPolarHBondContact O-CA 3.4Å
77K86.9Confident86.4Confident59 Ų5961.3 Ų61.326%0.25738%0.375SS..EExtended strand (participates in β ladder)trans-121.2122175.2-60.8-173169.7-157.90110.1D40 N44 S68 N69 Y71D40-K77 WeakPolarHBondContact OD1-CE 3.37Å; D40-K77 IonicContact OD1-NZ 3.7Å; D40-K77 PolarHBondContact OD1-NZ 2.85Å; N44-K77 HydrophobicContact CB-CB 3.84Å; N44-K77 HydrophobicContact CB-CD 4.45Å; N44-K77 WeakPolarHBondContact ND2-CD 3.31Å; S68-K77 CarbonylContact C-O 3.57Å; S68-K77 WeakPolarHBondContact CA-O 3.35Å; S68-K77 VanDerWaalsContact CB-O 3.28Å; S68-K77 WeakPolarHBondContact CB-O 3.2Å; N69-K77 PolarHBondContact N-O 3.22Å; N69-K77 PolarHBondContact O-N 2.95Å; Y71-K77 HydrophobicContact CD2-CD 4.49Å; Y71-K77 HydrophobicContact CD2-CG 4.29Å; Y71-K77 HydrophobicContact CE2-CB 3.86Å; Y71-K77 HydrophobicContact CE2-CD 3.66Å; Y71-K77 HydrophobicContact CE2-CG 3.61Å
78A87.4Confident85.7Confident36 Ų3662.4 Ų62.430%0.29839%0.389SS..EExtended strand (participates in β ladder)trans-63.9138.817800000110.6L43 N44 V66L43-A78 CarbonylContact C-O 3.59Å; L43-A78 VanDerWaalsContact CA-O 3.27Å; L43-A78 WeakPolarHBondContact CA-O 3.48Å; L43-A78 HydrophobicContact CD2-CB 3.92Å; N44-A78 PolarHBondContact N-O 2.88Å; V66-A78 HydrophobicContact CG1-CB 3.86Å
79I88.4Confident84.7Confident30 Ų3071.8 Ų71.815%0.15442%0.424CS..EExtended strand (participates in β ladder)trans-113.5-37.9178.8-69.3161.4000110.5Y46 I67 N69Y46-I79 HydrophobicContact CD2-CD1 4.14Å; I67-I79 PolarHBondContact O-N 2.97Å; N69-I79 HydrophobicContact CB-CD1 3.74Å; N69-I79 WeakPolarHBondContact OD1-CD1 3.49Å
80S86.3Confident83.7Confident57 Ų5775 Ų7540%0.39944%0.439SS..EExtended strand (participates in β ladder)trans-144.6142.1178.7-168.30000110.4V66 I67V66-S80 CarbonylContact C-O 3.46Å; V66-S80 WeakPolarHBondContact CA-O 3.49Å; I67-S80 PolarHBondContact N-O 3.09Å; I67-S80 PolarHBondContact O-N 3.32Å; I67-S80 VanDerWaalsContact O-N 3.16Å
81D87.5Confident82.7Confident55 Ų5576.5 Ų76.529%0.29445%0.452SS..EExtended strand (participates in β ladder)trans-123.1133.2171.6-179.5-86.4000108.1R64 V66R64-D81 IonicContact CZ-OD2 2.75Å; R64-D81 IonicContact NE-OD1 3.64Å; R64-D81 IonicContact NE-OD2 3.16Å; R64-D81 PolarHBondContact NE-OD2 3.34Å; R64-D81 IonicContact NH2-OD1 3.85Å; R64-D81 IonicContact NH2-OD2 2.77Å; R64-D81 PolarHBondContact NH2-OD2 2.85Å; V66-D81 VanDerWaalsContact CG2-OD2 3.29Å; V66-D81 WeakPolarHBondContact CG2-OD2 3.3Å
82A84.6Confident81.6Confident43 Ų4380.6 Ų80.636%0.35548%0.477SS..EExtended strand (participates in β ladder)trans-122.9132.6168.500000107.9R64 A65 F105R64-A82 CarbonylContact C-O 3.51Å; R64-A82 WeakPolarHBondContact CA-O 3.35Å; A65-A82 PolarHBondContact N-O 3.01Å; A65-A82 PolarHBondContact O-N 3.41Å; A65-A82 VanDerWaalsContact O-O 3.09Å; A82-F105 VanDerWaalsContact C-CZ 3.46Å; A82-F105 HydrophobicContact CB-CE1 3.69Å; A82-F105 HydrophobicContact CB-CZ 3.56Å; A82-F105 WeakPolarHBondContact O-CE1 3.42Å; A82-F105 WeakPolarHBondContact O-CZ 3.3Å
83S85.2Confident80.2Confident82 Ų8276.8 Ų76.857%0.57345%0.449SS*.EExtended strand (participates in β ladder)trans-136.5146.7169.456.60000110.8L63L63-S83 WeakPolarHBondContact O-CA 3Å
84C81.6Confident78.7Confident65 Ų6576.2 Ų76.244%0.43945%0.453SS..EExtended strand (participates in β ladder)trans-139.9130174.3-177.70000109.5G62 L63 F105G62-C84 CarbonylContact C-O 3.47Å; G62-C84 WeakPolarHBondContact CA-O 3.48Å; L63-C84 PolarHBondContact N-O 2.64Å; L63-C84 PolarHBondContact O-N 3.29Å; C84-F105 HydrophobicContact CB-CD2 4.35Å; C84-F105 HydrophobicContact CB-CE2 3.6Å; C84-F105 HydrophobicContact CB-CZ 4.41Å
85T82.9Confident77.2Confident112 Ų11280.4 Ų80.469%0.68746%0.46SS*.EExtended strand (participates in β ladder)trans-78.5129.4174.8-55.80000109.1N61 T87N61-T85 WeakPolarHBondContact O-CA 3.44Å; N61-T85 WeakPolarHBondContact O-CG2 3.38Å; T85-T87 PolarHBondContact O-N 2.72Å
86L76.5Confident75.6Confident26 Ų2685.8 Ų85.814%0.13647%0.474CS..PPolyproline II helixtrans-71.9131.1174.8-65.6174.6000108.9N61 L63 E90 A91 L101N61-L86 PolarHBondContact O-N 2.81Å; L63-L86 HydrophobicContact CD1-CD2 4.45Å; L63-L86 HydrophobicContact CG-CD2 4.26Å; L86-E90 HydrophobicContact CB-CB 4.08Å; L86-E90 HydrophobicContact CD2-CB 4Å; L86-A91 HydrophobicContact CB-CB 4.45Å; L86-L101 HydrophobicContact CD2-CD2 3.87Å
87T75.4Confident74.1Confident78 Ų7885.9 Ų85.948%0.47948%0.478SS..PPolyproline II helixtrans-63.9156.8170.160.10000109.9T85 R89 E90 A91T85-T87 PolarHBondContact O-N 2.72Å; T87-R89 PolarHBondContact O-N 2.94Å; T87-E90 WeakPolarHBondContact CB-OE2 3.12Å; T87-E90 WeakPolarHBondContact CG2-OE2 3.2Å; T87-E90 PolarHBondContact N-OE2 3.45Å; T87-E90 WeakPolarHBondContact O-CA 3.35Å; T87-E90 PolarHBondContact O-N 3.2Å; T87-E90 VanDerWaalsContact OG1-CG 3.31Å; T87-E90 WeakPolarHBondContact OG1-CG 3.47Å; T87-E90 PolarHBondContact OG1-N 3.49Å; T87-E90 PolarHBondContact OG1-OE2 3.4Å; T87-A91 PolarHBondContact O-N 3.44Å
88S75Confident72.6Confident96 Ų9691.7 Ų91.767%0.67150%0.499SS*.Hα-helixtrans-51.4-36176.4-49.40000111.8E90 L92S88-E90 PolarHBondContact O-N 3.25Å; S88-L92 VanDerWaalsContact O-CB 3.22Å; S88-L92 WeakPolarHBondContact O-CB 3.03Å; S88-L92 WeakPolarHBondContact O-CD1 3.14Å; S88-L92 WeakPolarHBondContact O-CG 3.21Å; S88-L92 PolarHBondContact O-N 3.45Å
89R68.6Low71.1Confident202 Ų20298.5 Ų98.576%0.76252%0.518SS*.Hα-helixtrans-65.1-35.5176.2-174.8175.2-178.3142.60.8113.3T87 Q93T87-R89 PolarHBondContact O-N 2.94Å; R89-Q93 WeakPolarHBondContact O-CG 3.22Å
90E71Confident69.6Low68 Ų6899.2 Ų99.232%0.31853%0.526SS..Hα-helixtrans-80.4-40.1179-69.4165.1130.700111.7L86 T87 S88 L92 Q93L86-E90 HydrophobicContact CB-CB 4.08Å; L86-E90 HydrophobicContact CD2-CB 4Å; T87-E90 WeakPolarHBondContact CB-OE2 3.12Å; T87-E90 WeakPolarHBondContact CG2-OE2 3.2Å; T87-E90 PolarHBondContact N-OE2 3.45Å; T87-E90 WeakPolarHBondContact O-CA 3.35Å; T87-E90 PolarHBondContact O-N 3.2Å; T87-E90 VanDerWaalsContact OG1-CG 3.31Å; T87-E90 WeakPolarHBondContact OG1-CG 3.47Å; T87-E90 PolarHBondContact OG1-N 3.49Å; T87-E90 PolarHBondContact OG1-OE2 3.4Å; S88-E90 PolarHBondContact O-N 3.25Å; E90-L92 VanDerWaalsContact C-N 3.26Å; E90-L92 PolarHBondContact O-N 2.9Å; E90-Q93 PolarHBondContact O-N 2.81Å
91A69.5Low68.3Low50 Ų5098.2 Ų98.241%0.41352%0.516SS..Hα-helixtrans-63.1-33.4175.500000112.4S60 L86 T87S60-A91 WeakPolarHBondContact O-CB 3.27Å; L86-A91 HydrophobicContact CB-CB 4.45Å; T87-A91 PolarHBondContact O-N 3.44Å
92L65.8Low66.8Low136 Ų136100.1 Ų100.171%0.71252%0.519SS*.THydrogen-bonded Turntrans-80.7-8.7179.9-75.7164.3000114.2S88 E90 P94S88-L92 VanDerWaalsContact O-CB 3.22Å; S88-L92 WeakPolarHBondContact O-CB 3.03Å; S88-L92 WeakPolarHBondContact O-CD1 3.14Å; S88-L92 WeakPolarHBondContact O-CG 3.21Å; S88-L92 PolarHBondContact O-N 3.45Å; E90-L92 VanDerWaalsContact C-N 3.26Å; E90-L92 PolarHBondContact O-N 2.9Å; L92-P94 WeakPolarHBondContact O-CD 3.08Å
93Q59.6Low65.3Low67 Ų67107.6 Ų107.631%0.31354%0.538SS..  trans-74.2110.4-177.3-59.3-157.31600110.9R89 E90 N95 R96R89-Q93 WeakPolarHBondContact O-CG 3.22Å; E90-Q93 PolarHBondContact O-N 2.81Å; Q93-N95 VanDerWaalsContact C-N 3.32Å; Q93-R96 VanDerWaalsContact OE1-CD 3.23Å
94P57.4Low63.8Low114 Ų114109.3 Ų109.374%0.7454%0.541SS*.SBendtrans-82-16.3179.80.519.4000112L92L92-P94 WeakPolarHBondContact O-CD 3.08Å
95N55.4Low62.4Low155 Ų155108.6 Ų108.683%0.82953%0.53SS*.SBendtrans-118.84.6-161.5-63.9-20.8000114.6Q93Q93-N95 VanDerWaalsContact C-N 3.32Å
96R53.7Low60.9Low150 Ų150108.9 Ų108.957%0.56653%0.526SS*.SBendtrans-98119.5163.6-80.7-167-177.4-170.4-0.2107Q93 R98Q93-R96 VanDerWaalsContact OE1-CD 3.23Å; R96-R98 PolarHBondContact O-N 3.31Å
97D56.1Low59.3Low122 Ų122121 Ų12165%0.65257%0.57SS**  trans-42.7119.5170.4-69.8-50.1000108Y99 S100D97-Y99 HydrophobicContact CB-CD2 4.44Å; D97-Y99 PolarHBondContact O-N 3.42Å; D97-S100 WeakPolarHBondContact O-CA 3.49Å; D97-S100 VanDerWaalsContact O-CB 3.3Å; D97-S100 WeakPolarHBondContact O-CB 3.31Å; D97-S100 PolarHBondContact O-N 3.05Å; D97-S100 PolarHBondContact O-OG 3.39Å
98R56.5Low58.5Low181 Ų181123.2 Ų123.268%0.68358%0.575SS**Hα-helixtrans-54.8-22.1177.2-69.6-178.5177.7178.8-0.6111.4R96 S100R96-R98 PolarHBondContact O-N 3.31Å; R98-S100 VanDerWaalsContact C-N 3.35Å
99Y55.1Low57.6Low179 Ų179124.6 Ų124.670%0.70257%0.57SS**Hα-helixtrans-62.4-31.1169.2-60.7-75.5000114.7D97 R102 R103D97-Y99 HydrophobicContact CB-CD2 4.44Å; D97-Y99 PolarHBondContact O-N 3.42Å; Y99-R102 WeakPolarHBondContact O-CB 3.49Å; Y99-R102 PolarHBondContact O-N 3.5Å; Y99-R103 PolarHBondContact O-N 2.84Å
100S57.5Low57Low45 Ų45120.3 Ų120.332%0.31556%0.559SS.*Hα-helixtrans-69.9-38177.768.30000112.4D97 R98 R102 R103D97-S100 WeakPolarHBondContact O-CA 3.49Å; D97-S100 VanDerWaalsContact O-CB 3.3Å; D97-S100 WeakPolarHBondContact O-CB 3.31Å; D97-S100 PolarHBondContact O-N 3.05Å; D97-S100 PolarHBondContact O-OG 3.39Å; R98-S100 VanDerWaalsContact C-N 3.35Å; S100-R102 VanDerWaalsContact C-N 3.29Å; S100-R102 PolarHBondContact O-N 3.04Å; S100-R103 PolarHBondContact O-N 3.41Å
101L58.2Low56.2Low37 Ų37123.4 Ų123.419%0.19457%0.574CS.*Hα-helixtrans-65.7-32.4174.3-99142.9000111.9L63 L86 R103 N104L63-L101 HydrophobicContact CD1-CB 4.22Å; L63-L101 HydrophobicContact CD1-CD2 4.04Å; L86-L101 HydrophobicContact CD2-CD2 3.87Å; L101-R103 VanDerWaalsContact C-N 3.34Å; L101-R103 PolarHBondContact O-N 2.83Å; L101-N104 PolarHBondContact O-N 3.3Å
102R56.4Low55.4Low95 Ų95128 Ų12836%0.35858%0.584SS.*Hα-helixtrans-63-35.8173.8-67.8-171.8175.6-144.7-2.6113A56 Y99 S100 N104 F105A56-R102 PolarHBondContact O-NH1 2.93Å; Y99-R102 WeakPolarHBondContact O-CB 3.49Å; Y99-R102 PolarHBondContact O-N 3.5Å; S100-R102 VanDerWaalsContact C-N 3.29Å; S100-R102 PolarHBondContact O-N 3.04Å; R102-N104 VanDerWaalsContact C-N 3.33Å; R102-N104 PolarHBondContact O-N 2.73Å; R102-F105 PolarHBondContact O-N 3.5Å
103R53.7Low54.7Low199 Ų199127.5 Ų127.575%0.75158%0.575SS**Hα-helixtrans-68.1-30.1-178.4-70.1-166-157.6170.56.7113.7Y99 S100 L101 F105Y99-R103 PolarHBondContact O-N 2.84Å; S100-R103 PolarHBondContact O-N 3.41Å; L101-R103 VanDerWaalsContact C-N 3.34Å; L101-R103 PolarHBondContact O-N 2.83Å; R103-F105 VanDerWaalsContact C-N 3.3Å
104N53Low54.3Low118 Ų118131.8 Ų131.863%0.63159%0.594SS**Hα-helixtrans-81.6-12.3179.6-71.1-17.7000113.1L101 R102L101-N104 PolarHBondContact O-N 3.3Å; R102-N104 VanDerWaalsContact C-N 3.33Å; R102-N104 PolarHBondContact O-N 2.73Å
105F52Low54.1Low50 Ų50133.2 Ų133.222%0.21958%0.582CS.*SBendtrans-88.8-12.7-177.7-161.1-107.1000113.4L63 A65 A82 C84 R102 R103L63-F105 HydrophobicContact CB-CD2 4.34Å; L63-F105 HydrophobicContact CB-CE2 4.47Å; L63-F105 HydrophobicContact CB-CG 4.41Å; L63-F105 HydrophobicContact CD1-CB 4.29Å; L63-F105 HydrophobicContact CD1-CD2 4.27Å; L63-F105 HydrophobicContact CD1-CG 4.35Å; A65-F105 HydrophobicContact CB-CD1 3.77Å; A65-F105 HydrophobicContact CB-CE1 3.55Å; A82-F105 VanDerWaalsContact C-CZ 3.46Å; A82-F105 HydrophobicContact CB-CE1 3.69Å; A82-F105 HydrophobicContact CB-CZ 3.56Å; A82-F105 WeakPolarHBondContact O-CE1 3.42Å; A82-F105 WeakPolarHBondContact O-CZ 3.3Å; C84-F105 HydrophobicContact CB-CD2 4.35Å; C84-F105 HydrophobicContact CB-CE2 3.6Å; C84-F105 HydrophobicContact CB-CZ 4.41Å; R102-F105 PolarHBondContact O-N 3.5Å; R103-F105 VanDerWaalsContact C-N 3.3Å
106I53.1Low53.9Low119 Ų119131.3 Ų131.361%0.6156%0.562SS**  trans-123.132.2-176.9-42.3176.1000110.6
107R42Very low54Low281 Ų281129.6 Ų129.6100%1.0656%0.561SS**  trans-108.30167.9-94-170.7171.2-176-2.6109.3

Retrieved 107 of 107 residues in 26.3 ms (Link to these results)