A0A077ZCJ0_TRITR Loading...

DUF4440 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZCJ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 105 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
1M38.5Very low70.8Confident247 Ų247107.6 Ų107.6100%1.21759%0.588SS**  0950-65.4-177.9-149.700107.8G3M1-G3 VanDerWaalsContact C-N 3.33Å; M1-G3 PolarHBondContact O-N 3.19Å
2A42.3Very low72.6Confident100 Ų100109.9 Ų109.983%0.82659%0.588SS**  trans-76.797161.900000104.8L4A2-L4 PolarHBondContact O-N 3.2Å
3G47.8Very low74.2Confident41 Ų41103.6 Ų103.642%0.42356%0.555SS.*  trans-49.2128.1170.800000107.3M1 I5M1-G3 VanDerWaalsContact C-N 3.33Å; M1-G3 PolarHBondContact O-N 3.19Å; G3-I5 PolarHBondContact O-N 2.78Å
4L54.1Low75.6Confident171 Ų171101.5 Ų101.590%0.89554%0.54SS*.  trans-42.6110.2-177.5-91.3133.2000108.8A2 N6A2-L4 PolarHBondContact O-N 3.2Å; L4-N6 VanDerWaalsContact C-N 3.28Å; L4-N6 PolarHBondContact O-N 2.87Å
5I64.7Low76.8Confident113 Ų113105.3 Ų105.358%0.57955%0.55SS**  trans-6199.4177.3-64.1169.3000105.4G3 K7G3-I5 PolarHBondContact O-N 2.78Å; I5-K7 HydrophobicContact CG2-CG 4.24Å; I5-K7 PolarHBondContact O-N 2.91Å
6N79.3Confident77.9Confident57 Ų57105.9 Ų105.931%0.30554%0.543SS..  trans-71.189.3175.1-175.5-23.1000106.7L4 E8 L9 R10L4-N6 VanDerWaalsContact C-N 3.28Å; L4-N6 PolarHBondContact O-N 2.87Å; N6-E8 PolarHBondContact O-N 3.4Å; N6-E8 PolarHBondContact OD1-N 3.13Å; N6-L9 HydrophobicContact CB-CB 3.79Å; N6-L9 HydrophobicContact CB-CD2 4.46Å; N6-L9 WeakPolarHBondContact O-CB 3.32Å; N6-L9 PolarHBondContact O-N 3.31Å; N6-L9 VanDerWaalsContact O-N 3.14Å; N6-L9 WeakPolarHBondContact OD1-CB 3.5Å; N6-L9 PolarHBondContact OD1-N 2.79Å; N6-R10 PolarHBondContact O-N 2.73Å
7K86.4Confident78.8Confident171 Ų171101.9 Ų101.974%0.74352%0.523SS*.Hα-helixtrans-58.6-36.5-174.2-69.3-175.9179.4179.60111.8I5 R10 A11I5-K7 HydrophobicContact CG2-CG 4.24Å; I5-K7 PolarHBondContact O-N 2.91Å; K7-R10 PolarHBondContact O-N 3.29Å; K7-A11 WeakPolarHBondContact O-CB 3.47Å; K7-A11 PolarHBondContact O-N 2.86Å
8E90.1Very high79.7Confident139 Ų139100.6 Ų100.665%0.6552%0.517SS*.Hα-helixtrans-67.3-45.3176.5-67.1-171.9178.600111.7N6 R10 A11 K12N6-E8 PolarHBondContact O-N 3.4Å; N6-E8 PolarHBondContact OD1-N 3.13Å; E8-R10 VanDerWaalsContact C-N 3.34Å; E8-R10 PolarHBondContact O-N 2.85Å; E8-A11 PolarHBondContact O-N 3.42Å; E8-K12 WeakPolarHBondContact O-CG 3.33Å; E8-K12 PolarHBondContact O-N 3.22Å
9L91.6Very high80.6Confident15 Ų1599.3 Ų99.38%0.07951%0.508CS..Hα-helixtrans-59.6-47.6174.8179.360.4000110.7N6 A11 K12 V13 V79 G81 A86N6-L9 HydrophobicContact CB-CB 3.79Å; N6-L9 HydrophobicContact CB-CD2 4.46Å; N6-L9 WeakPolarHBondContact O-CB 3.32Å; N6-L9 PolarHBondContact O-N 3.31Å; N6-L9 VanDerWaalsContact O-N 3.14Å; N6-L9 WeakPolarHBondContact OD1-CB 3.5Å; N6-L9 PolarHBondContact OD1-N 2.79Å; L9-A11 VanDerWaalsContact C-N 3.34Å; L9-A11 PolarHBondContact O-N 2.95Å; L9-K12 PolarHBondContact O-N 3Å; L9-V13 HydrophobicContact CD1-CG2 3.91Å; L9-V13 HydrophobicContact CG-CG2 4.25Å; L9-V13 VanDerWaalsContact O-CG2 3.28Å; L9-V13 WeakPolarHBondContact O-CG2 3.48Å; L9-V13 PolarHBondContact O-N 3.46Å; L9-V79 HydrophobicContact CD2-CG1 4.25Å; L9-V79 HydrophobicContact CG-CG1 4.13Å; L9-G81 VanDerWaalsContact CD2-C 3.42Å; L9-A86 HydrophobicContact CD1-CB 4.29Å; L9-A86 HydrophobicContact CD2-CB 4.42Å
10R91.5Very high81.3Confident73 Ų7396.2 Ų96.228%0.27549%0.49SS..Hα-helixtrans-54.9-50.1177.2-179.5171.6-177.8124.513.6111.3N6 K7 E8 K12 V13 E14 I76 D77 V79N6-R10 PolarHBondContact O-N 2.73Å; K7-R10 PolarHBondContact O-N 3.29Å; E8-R10 VanDerWaalsContact C-N 3.34Å; E8-R10 PolarHBondContact O-N 2.85Å; R10-K12 VanDerWaalsContact C-N 3.34Å; R10-K12 PolarHBondContact O-N 2.87Å; R10-V13 PolarHBondContact O-N 2.91Å; R10-E14 HydrophobicContact CG-CG 4.26Å; R10-E14 IonicContact CZ-OE1 3.88Å; R10-E14 IonicContact NE-OE1 3.61Å; R10-E14 PolarHBondContact NE-OE1 2.84Å; R10-E14 IonicContact NE-OE2 2.84Å; R10-E14 IonicContact NH2-OE1 3.22Å; R10-E14 PolarHBondContact NH2-OE1 2.98Å; R10-E14 WeakPolarHBondContact O-CB 3.36Å; R10-E14 WeakPolarHBondContact O-CG 3.4Å; R10-E14 PolarHBondContact O-N 3.14Å; R10-I76 PolarHBondContact NH2-O 3.05Å; R10-D77 PolarHBondContact NH1-O 3.14Å; R10-D77 PolarHBondContact NH2-O 2.94Å; R10-V79 HydrophobicContact CB-CB 4.33Å; R10-V79 HydrophobicContact CB-CG2 4.29Å; R10-V79 HydrophobicContact CG-CB 4.47Å; R10-V79 HydrophobicContact CG-CG2 3.99Å
11A92.3Very high81.8Confident57 Ų5792.6 Ų92.647%0.47147%0.472SS..Hα-helixtrans-61.4-40.3179.200000112.7K7 E8 L9 K15K7-A11 WeakPolarHBondContact O-CB 3.47Å; K7-A11 PolarHBondContact O-N 2.86Å; E8-A11 PolarHBondContact O-N 3.42Å; L9-A11 VanDerWaalsContact C-N 3.34Å; L9-A11 PolarHBondContact O-N 2.95Å; A11-K15 VanDerWaalsContact O-CB 3.27Å; A11-K15 WeakPolarHBondContact O-CB 3.28Å; A11-K15 PolarHBondContact O-N 2.77Å
12K93Very high84.5Confident135 Ų13586.9 Ų86.959%0.58744%0.44SS*.Hα-helixtrans-63.6-44.9176.2-73.4171.5-177.9171.70111.8E8 L9 R10 R16E8-K12 WeakPolarHBondContact O-CG 3.33Å; E8-K12 PolarHBondContact O-N 3.22Å; L9-K12 PolarHBondContact O-N 3Å; R10-K12 VanDerWaalsContact C-N 3.34Å; R10-K12 PolarHBondContact O-N 2.87Å; K12-R16 WeakPolarHBondContact O-CB 3.48Å; K12-R16 WeakPolarHBondContact O-CG 3.44Å; K12-R16 PolarHBondContact O-N 2.91Å
13V93.3Very high87Confident28 Ų2882.6 Ų82.617%0.1740%0.404CS..Hα-helixtrans-69.1-45.1-179177.40000111L9 R10 K15 R16 L17 I76 V79 A86 T88L9-V13 HydrophobicContact CD1-CG2 3.91Å; L9-V13 HydrophobicContact CG-CG2 4.25Å; L9-V13 VanDerWaalsContact O-CG2 3.28Å; L9-V13 WeakPolarHBondContact O-CG2 3.48Å; L9-V13 PolarHBondContact O-N 3.46Å; R10-V13 PolarHBondContact O-N 2.91Å; V13-K15 VanDerWaalsContact C-N 3.33Å; V13-K15 PolarHBondContact O-N 3.18Å; V13-R16 PolarHBondContact O-N 3.39Å; V13-L17 WeakPolarHBondContact O-CB 3.39Å; V13-L17 PolarHBondContact O-N 3.48Å; V13-I76 HydrophobicContact CG1-CD1 3.64Å; V13-V79 HydrophobicContact CG2-CG1 4.35Å; V13-A86 HydrophobicContact CG2-CB 3.86Å; V13-T88 HydrophobicContact CG1-CG2 3.55Å
14E93.2Very high89.1Confident74 Ų7481.3 Ų81.335%0.34639%0.387SS..Hα-helixtrans-61-42.2176.5-74.8176.5166.700111.4R10 L17 D18 I76R10-E14 HydrophobicContact CG-CG 4.26Å; R10-E14 IonicContact CZ-OE1 3.88Å; R10-E14 IonicContact NE-OE1 3.61Å; R10-E14 PolarHBondContact NE-OE1 2.84Å; R10-E14 IonicContact NE-OE2 2.84Å; R10-E14 IonicContact NH2-OE1 3.22Å; R10-E14 PolarHBondContact NH2-OE1 2.98Å; R10-E14 WeakPolarHBondContact O-CB 3.36Å; R10-E14 WeakPolarHBondContact O-CG 3.4Å; R10-E14 PolarHBondContact O-N 3.14Å; E14-L17 PolarHBondContact O-N 3.5Å; E14-D18 WeakPolarHBondContact O-CB 3.48Å; E14-D18 PolarHBondContact O-N 2.86Å; E14-I76 HydrophobicContact CG-CB 4.38Å; E14-I76 HydrophobicContact CG-CD1 4.21Å
15K94.5Very high90.9Very high158 Ų15875.7 Ų75.769%0.68736%0.358SS*.Hα-helixtrans-61.9-44.3174.8-176179.9177.8-1770112.3A11 V13 L17 D18 E19A11-K15 VanDerWaalsContact O-CB 3.27Å; A11-K15 WeakPolarHBondContact O-CB 3.28Å; A11-K15 PolarHBondContact O-N 2.77Å; V13-K15 VanDerWaalsContact C-N 3.33Å; V13-K15 PolarHBondContact O-N 3.18Å; K15-L17 VanDerWaalsContact C-N 3.34Å; K15-D18 PolarHBondContact O-N 2.86Å; K15-E19 PolarHBondContact O-N 3.35Å; K15-E19 VanDerWaalsContact O-N 3.08Å
16R94Very high92.3Very high116 Ų11673.8 Ų73.844%0.43836%0.359SS..Hα-helixtrans-64.1-39176.8-80.1-91.9-84.1164.7-7.6111.7K12 V13 E19 Y20 F35K12-R16 WeakPolarHBondContact O-CB 3.48Å; K12-R16 WeakPolarHBondContact O-CG 3.44Å; K12-R16 PolarHBondContact O-N 2.91Å; V13-R16 PolarHBondContact O-N 3.39Å; R16-E19 PolarHBondContact O-N 2.98Å; R16-Y20 WeakPolarHBondContact O-CB 3.41Å; R16-Y20 PolarHBondContact O-N 3.4Å; R16-F35 HydrophobicContact CB-CE2 4.41Å; R16-F35 HydrophobicContact CB-CZ 4.37Å; R16-F35 PolarHBondContact NH1-O 2.86Å; R16-F35 VanDerWaalsContact O-CE2 3.26Å; R16-F35 WeakPolarHBondContact O-CE2 3.34Å; R16-F35 WeakPolarHBondContact O-CZ 3.36Å
17L93.9Very high93Very high37 Ų3775.5 Ų75.519%0.19437%0.365CS..Hα-helixtrans-68.3-40.2177.1-175.766.9000112.1V13 E14 K15 E19 Y20 N21 L74 I76V13-L17 WeakPolarHBondContact O-CB 3.39Å; V13-L17 PolarHBondContact O-N 3.48Å; E14-L17 PolarHBondContact O-N 3.5Å; K15-L17 VanDerWaalsContact C-N 3.34Å; L17-E19 VanDerWaalsContact C-N 3.34Å; L17-Y20 HydrophobicContact CD1-CD1 4.27Å; L17-Y20 PolarHBondContact O-N 3.5Å; L17-N21 WeakPolarHBondContact O-CB 2.97Å; L17-N21 PolarHBondContact O-N 2.98Å; L17-L74 HydrophobicContact CD1-CB 3.89Å; L17-L74 HydrophobicContact CD1-CD1 3.94Å; L17-L74 HydrophobicContact CD1-CG 4.49Å; L17-L74 HydrophobicContact CD2-CB 3.99Å; L17-L74 HydrophobicContact CG-CB 4.21Å; L17-I76 HydrophobicContact CB-CD1 4.02Å; L17-I76 HydrophobicContact CD2-CD1 3.43Å; L17-I76 VanDerWaalsContact CD2-CD1 3.43Å; L17-I76 HydrophobicContact CD2-CG1 3.45Å; L17-I76 VanDerWaalsContact CD2-CG1 3.45Å; L17-I76 HydrophobicContact CG-CD1 4.34Å
18D94.3Very high93.4Very high78 Ų7870 Ų7042%0.41734%0.344SS..Hα-helixtrans-61.2-43.2175.2179.461.2000111.4E14 K15 N21 K22E14-D18 WeakPolarHBondContact O-CB 3.48Å; E14-D18 PolarHBondContact O-N 2.86Å; K15-D18 PolarHBondContact O-N 2.86Å; D18-N21 PolarHBondContact O-N 3.37Å; D18-K22 WeakPolarHBondContact O-CG 3.32Å; D18-K22 PolarHBondContact O-N 3.35Å; D18-K22 WeakPolarHBondContact OD1-CE 3.41Å; D18-K22 IonicContact OD1-NZ 2.73Å; D18-K22 WeakPolarHBondContact OD2-CE 3.47Å; D18-K22 IonicContact OD2-NZ 3.63Å; D18-K22 PolarHBondContact OD2-NZ 3.24Å
19E95.8Very high93.6Very high76 Ų7665.6 Ų65.636%0.35532%0.321SS..Hα-helixtrans-61.6-46.9173.1-177.9172.2-158.600111.9K15 R16 L17 N21 K22 L23 F35K15-E19 PolarHBondContact O-N 3.35Å; K15-E19 VanDerWaalsContact O-N 3.08Å; R16-E19 PolarHBondContact O-N 2.98Å; L17-E19 VanDerWaalsContact C-N 3.34Å; E19-N21 PolarHBondContact O-N 2.89Å; E19-K22 PolarHBondContact O-N 3.44Å; E19-L23 HydrophobicContact CG-CD1 4.04Å; E19-L23 HydrophobicContact CG-CG 4.45Å; E19-L23 WeakPolarHBondContact O-CG 3.27Å; E19-L23 PolarHBondContact O-N 3.27Å; E19-F35 HydrophobicContact CB-CE2 4.38Å; E19-F35 HydrophobicContact CG-CD2 4.2Å; E19-F35 HydrophobicContact CG-CE2 4.38Å
20Y95.1Very high93.7Very high37 Ų3768.5 Ų68.515%0.14535%0.347CS..Hα-helixtrans-57.1-49176.3175.4-98000112.3R16 L17 K22 L23 L24 L32 F35 F36 L61 L74R16-Y20 WeakPolarHBondContact O-CB 3.41Å; R16-Y20 PolarHBondContact O-N 3.4Å; L17-Y20 HydrophobicContact CD1-CD1 4.27Å; L17-Y20 PolarHBondContact O-N 3.5Å; Y20-K22 VanDerWaalsContact C-N 3.33Å; Y20-K22 PolarHBondContact O-N 3.02Å; Y20-L23 PolarHBondContact O-N 3.02Å; Y20-L24 HydrophobicContact CE1-CD2 3.81Å; Y20-L24 VanDerWaalsContact O-CB 3.27Å; Y20-L24 WeakPolarHBondContact O-CB 3.5Å; Y20-L24 PolarHBondContact O-N 3.3Å; Y20-L32 HydrophobicContact CD2-CD1 3.72Å; Y20-L32 HydrophobicContact CE2-CD1 3.9Å; Y20-F35 HydrophobicContact CD2-CD1 4.16Å; Y20-F35 AromaticContact CD2-CE1 3.88Å; Y20-F35 HydrophobicContact CD2-CE1 3.88Å; Y20-F35 HydrophobicContact CD2-CZ 4.35Å; Y20-F35 HydrophobicContact CG-CE1 4.41Å; Y20-F35 HydrophobicContact CG-CZ 4.46Å; Y20-F36 HydrophobicContact CD2-CZ 4.44Å; Y20-F36 AromaticContact CE2-CZ 3.94Å; Y20-F36 HydrophobicContact CE2-CZ 3.94Å; Y20-L61 HydrophobicContact CE2-CD1 4.17Å; Y20-L74 HydrophobicContact CD1-CD1 3.98Å; Y20-L74 HydrophobicContact CE1-CD1 3.72Å
21N92.5Very high93.9Very high21 Ų2171.6 Ų71.611%0.11236%0.359CS..Hα-helixtrans-58.9-43.9178-82.6-18000111.8L17 D18 E19 L24 N25 L74L17-N21 WeakPolarHBondContact O-CB 2.97Å; L17-N21 PolarHBondContact O-N 2.98Å; D18-N21 PolarHBondContact O-N 3.37Å; E19-N21 PolarHBondContact O-N 2.89Å; N21-L24 PolarHBondContact O-N 3.48Å; N21-N25 WeakPolarHBondContact O-CB 3.25Å; N21-N25 PolarHBondContact O-N 2.68Å; N21-N25 PolarHBondContact O-ND2 2.88Å; N21-L74 PolarHBondContact ND2-O 3.27Å; N21-L74 WeakPolarHBondContact OD1-CB 3.41Å; N21-L74 WeakPolarHBondContact OD1-CD1 3.32Å
22K94.1Very high94Very high127 Ų12768.9 Ų68.955%0.55234%0.336SS*.Hα-helixtrans-61.9-46.9178.4-76.9168.9178.9166.20111.7D18 E19 Y20 A26D18-K22 WeakPolarHBondContact O-CG 3.32Å; D18-K22 PolarHBondContact O-N 3.35Å; D18-K22 WeakPolarHBondContact OD1-CE 3.41Å; D18-K22 IonicContact OD1-NZ 2.73Å; D18-K22 WeakPolarHBondContact OD2-CE 3.47Å; D18-K22 IonicContact OD2-NZ 3.63Å; D18-K22 PolarHBondContact OD2-NZ 3.24Å; E19-K22 PolarHBondContact O-N 3.44Å; Y20-K22 VanDerWaalsContact C-N 3.33Å; Y20-K22 PolarHBondContact O-N 3.02Å; K22-A26 WeakPolarHBondContact O-CB 3.49Å; K22-A26 PolarHBondContact O-N 2.95Å
23L95Very high94.1Very high10 Ų1063 Ų635%0.05231%0.314CS..Hα-helixtrans-65.8-43.1179.5-67.4175.9000111.7E19 Y20 A26 H27 D28 R31 L32 F35E19-L23 HydrophobicContact CG-CD1 4.04Å; E19-L23 HydrophobicContact CG-CG 4.45Å; E19-L23 WeakPolarHBondContact O-CG 3.27Å; E19-L23 PolarHBondContact O-N 3.27Å; Y20-L23 PolarHBondContact O-N 3.02Å; L23-A26 PolarHBondContact O-N 3.05Å; L23-H27 PolarHBondContact O-N 2.73Å; L23-D28 HydrophobicContact CD2-CB 4.08Å; L23-D28 PolarHBondContact O-N 2.91Å; L23-R31 HydrophobicContact CD1-CB 4.29Å; L23-R31 HydrophobicContact CD2-CB 3.61Å; L23-L32 HydrophobicContact CB-CB 4.41Å; L23-L32 HydrophobicContact CB-CD1 3.65Å; L23-L32 HydrophobicContact CD1-CD1 4.21Å; L23-F35 HydrophobicContact CD1-CB 4.17Å; L23-F35 HydrophobicContact CD1-CD2 4.42Å
24L93.3Very high94.1Very high15 Ų1567 Ų678%0.07934%0.335CS..Hα-helixtrans-62.2-50.6178.3-177.363.9000111.4Y20 N21 A26 H27 W29 L32 L61 V72Y20-L24 HydrophobicContact CE1-CD2 3.81Å; Y20-L24 VanDerWaalsContact O-CB 3.27Å; Y20-L24 WeakPolarHBondContact O-CB 3.5Å; Y20-L24 PolarHBondContact O-N 3.3Å; N21-L24 PolarHBondContact O-N 3.48Å; L24-A26 VanDerWaalsContact C-N 3.3Å; L24-A26 PolarHBondContact O-N 3.08Å; L24-H27 PolarHBondContact O-CD2 2.8Å; L24-H27 VanDerWaalsContact O-CD2 3.25Å; L24-H27 PolarHBondContact O-N 3.23Å; L24-H27 VanDerWaalsContact O-N 3.16Å; L24-W29 HydrophobicContact CD1-CH2 4.34Å; L24-W29 HydrophobicContact CD1-CZ3 4Å; L24-L32 HydrophobicContact CD1-CD2 4.39Å; L24-L61 HydrophobicContact CD1-CB 4.33Å; L24-V72 HydrophobicContact CD2-CB 3.87Å; L24-V72 HydrophobicContact CD2-CG1 3.88Å; L24-V72 HydrophobicContact CD2-CG2 4Å
25N91.8Very high94.2Very high53 Ų5364.8 Ų64.828%0.28332%0.324SS..Hα-helixtrans-71.6-23.7-179-69.7-25.5000113.3N21 H27 V72N21-N25 WeakPolarHBondContact O-CB 3.25Å; N21-N25 PolarHBondContact O-N 2.68Å; N21-N25 PolarHBondContact O-ND2 2.88Å; N25-H27 VanDerWaalsContact C-N 3.3Å; N25-V72 PolarHBondContact ND2-O 2.89Å; N25-V72 PolarHBondContact OD1-N 3.47Å; N25-V72 PolarHBondContact OD1-O 3.48Å
26A93.4Very high94.1Very high72 Ų7258.9 Ų58.960%0.59530%0.298SS*.THydrogen-bonded Turntrans-82.9-5.9173.300000113.5K22 L23 L24 D28K22-A26 WeakPolarHBondContact O-CB 3.49Å; K22-A26 PolarHBondContact O-N 2.95Å; L23-A26 PolarHBondContact O-N 3.05Å; L24-A26 VanDerWaalsContact C-N 3.3Å; L24-A26 PolarHBondContact O-N 3.08Å; A26-D28 PolarHBondContact O-N 2.87Å
27H93.1Very high93.8Very high94 Ų9462.7 Ų62.744%0.43531%0.314SS..THydrogen-bonded Turntrans5334.8-171.2-54.2154.9000113L23 L24 N25 W29L23-H27 PolarHBondContact O-N 2.73Å; L24-H27 PolarHBondContact O-CD2 2.8Å; L24-H27 VanDerWaalsContact O-CD2 3.25Å; L24-H27 PolarHBondContact O-N 3.23Å; L24-H27 VanDerWaalsContact O-N 3.16Å; N25-H27 VanDerWaalsContact C-N 3.3Å; H27-W29 VanDerWaalsContact C-N 3.28Å; H27-W29 HydrophobicContact CB-CH2 4.19Å; H27-W29 HydrophobicContact CB-CZ2 3.55Å; H27-W29 AromaticContact CD2-CH2 3.64Å; H27-W29 AromaticContact CD2-CZ2 3.56Å; H27-W29 AromaticContact CG-CZ2 3.69Å; H27-W29 PolarHBondContact O-N 3.29Å
28D95.7Very high93.7Very high56 Ų5663.8 Ų63.830%0.29932%0.323SS..  trans-85.172.9178-167.8-21.6000110.1L23 A26 A30 R31 L32L23-D28 HydrophobicContact CD2-CB 4.08Å; L23-D28 PolarHBondContact O-N 2.91Å; A26-D28 PolarHBondContact O-N 2.87Å; D28-A30 VanDerWaalsContact C-N 3.28Å; D28-A30 PolarHBondContact O-N 3.32Å; D28-R31 PolarHBondContact O-N 2.94Å; D28-R31 WeakPolarHBondContact OD1-CB 3.21Å; D28-R31 WeakPolarHBondContact OD1-CG 3.01Å; D28-R31 PolarHBondContact OD1-N 3.48Å; D28-R31 WeakPolarHBondContact OD2-CD 3.21Å; D28-L32 WeakPolarHBondContact O-CB 3.15Å; D28-L32 PolarHBondContact O-N 2.66Å
29W94.9Very high93.4Very high45 Ų4565.4 Ų65.417%0.1733%0.327CS..Hα-helixtrans-62.5-32.9-173.3-52.7137.1000113.7L24 H27 L32 G33 V58 E62 S65L24-W29 HydrophobicContact CD1-CH2 4.34Å; L24-W29 HydrophobicContact CD1-CZ3 4Å; H27-W29 VanDerWaalsContact C-N 3.28Å; H27-W29 HydrophobicContact CB-CH2 4.19Å; H27-W29 HydrophobicContact CB-CZ2 3.55Å; H27-W29 AromaticContact CD2-CH2 3.64Å; H27-W29 AromaticContact CD2-CZ2 3.56Å; H27-W29 AromaticContact CG-CZ2 3.69Å; H27-W29 PolarHBondContact O-N 3.29Å; W29-L32 HydrophobicContact CE3-CD2 3.83Å; W29-L32 HydrophobicContact CZ3-CD2 3.89Å; W29-L32 PolarHBondContact O-N 2.94Å; W29-G33 PolarHBondContact O-N 2.89Å; W29-V58 HydrophobicContact CB-CG1 3.72Å; W29-V58 HydrophobicContact CE3-CG1 4.34Å; W29-V58 HydrophobicContact CG-CG1 4.35Å; W29-E62 VanDerWaalsContact CD1-OE1 3.24Å; W29-E62 HydrophobicContact CD2-CB 4.17Å; W29-E62 HydrophobicContact CD2-CG 4.38Å; W29-E62 HydrophobicContact CH2-CB 4.4Å; W29-E62 HydrophobicContact CZ2-CB 4.03Å; W29-E62 HydrophobicContact CZ2-CG 4.03Å; W29-E62 PolarHBondContact NE1-OE1 2.84Å; W29-S65 WeakPolarHBondContact CH2-OG 3.48Å; W29-S65 WeakPolarHBondContact CZ2-OG 3.19Å
30A93.8Very high93.3Very high76 Ų7667 Ų6763%0.62834%0.338SS*.Hα-helixtrans-63.4-52.5177.300000110.5D28 L32 G33 D34D28-A30 VanDerWaalsContact C-N 3.28Å; D28-A30 PolarHBondContact O-N 3.32Å; A30-L32 VanDerWaalsContact C-N 3.33Å; A30-L32 PolarHBondContact O-N 3.42Å; A30-G33 PolarHBondContact O-N 3.36Å; A30-G33 VanDerWaalsContact O-N 3.17Å; A30-D34 PolarHBondContact O-N 3.26Å
31R95.4Very high93.2Very high138 Ų13866.1 Ų66.152%0.52134%0.338SS..Hα-helixtrans-69.8-31.5178.1-69.3-173.269.8-167.1-4112.5L23 D28 G33 D34 F35L23-R31 HydrophobicContact CD1-CB 4.29Å; L23-R31 HydrophobicContact CD2-CB 3.61Å; D28-R31 PolarHBondContact O-N 2.94Å; D28-R31 WeakPolarHBondContact OD1-CB 3.21Å; D28-R31 WeakPolarHBondContact OD1-CG 3.01Å; D28-R31 PolarHBondContact OD1-N 3.48Å; D28-R31 WeakPolarHBondContact OD2-CD 3.21Å; R31-G33 VanDerWaalsContact C-N 3.27Å; R31-G33 PolarHBondContact O-N 2.97Å; R31-D34 PolarHBondContact O-N 3.25Å; R31-D34 VanDerWaalsContact O-N 3.14Å; R31-F35 PolarHBondContact O-N 3.4Å
32L94.7Very high93.2Very high0 Ų071.8 Ų71.80%036%0.362CS..Hα-helixtrans-64.3-34.5172.6-161.169.9000111.4Y20 L23 L24 D28 W29 A30 D34 F35 F36 V58 L61Y20-L32 HydrophobicContact CD2-CD1 3.72Å; Y20-L32 HydrophobicContact CE2-CD1 3.9Å; L23-L32 HydrophobicContact CB-CB 4.41Å; L23-L32 HydrophobicContact CB-CD1 3.65Å; L23-L32 HydrophobicContact CD1-CD1 4.21Å; L24-L32 HydrophobicContact CD1-CD2 4.39Å; D28-L32 WeakPolarHBondContact O-CB 3.15Å; D28-L32 PolarHBondContact O-N 2.66Å; W29-L32 HydrophobicContact CE3-CD2 3.83Å; W29-L32 HydrophobicContact CZ3-CD2 3.89Å; W29-L32 PolarHBondContact O-N 2.94Å; A30-L32 VanDerWaalsContact C-N 3.33Å; A30-L32 PolarHBondContact O-N 3.42Å; L32-D34 VanDerWaalsContact C-N 3.29Å; L32-D34 PolarHBondContact O-N 3.08Å; L32-F35 WeakPolarHBondContact O-CB 3.5Å; L32-F35 PolarHBondContact O-N 2.91Å; L32-F36 HydrophobicContact CG-CE2 4.12Å; L32-F36 WeakPolarHBondContact O-CD2 3.11Å; L32-V58 HydrophobicContact CB-CG2 4.32Å; L32-V58 HydrophobicContact CG-CG2 4.41Å; L32-L61 HydrophobicContact CD2-CD1 3.79Å
33G94.1Very high93.3Very high11 Ų1168.2 Ų68.211%0.11335%0.349CS..Hα-helixtrans-66.6-27.5172.200000114W29 A30 R31 K39W29-G33 PolarHBondContact O-N 2.89Å; A30-G33 PolarHBondContact O-N 3.36Å; A30-G33 VanDerWaalsContact O-N 3.17Å; R31-G33 VanDerWaalsContact C-N 3.27Å; R31-G33 PolarHBondContact O-N 2.97Å; G33-K39 PolarHBondContact O-NZ 3.12Å
34D93.6Very high93.2Very high114 Ų11475.4 Ų75.461%0.6138%0.384SS*.Hα-helixtrans-85.1-22.1173.3-69-25000113A30 R31 L32 F36 K39A30-D34 PolarHBondContact O-N 3.26Å; R31-D34 PolarHBondContact O-N 3.25Å; R31-D34 VanDerWaalsContact O-N 3.14Å; L32-D34 VanDerWaalsContact C-N 3.29Å; L32-D34 PolarHBondContact O-N 3.08Å; D34-F36 VanDerWaalsContact C-N 3.28Å; D34-F36 PolarHBondContact O-N 3.5Å; D34-K39 IonicContact OD1-NZ 2.68Å; D34-K39 PolarHBondContact OD1-NZ 3.02Å
35F94.8Very high93.1Very high27 Ų2776.8 Ų76.812%0.11839%0.391CS..Hα-helixtrans-62.4-35.5173.8176.1-89.4000112.2R16 E19 Y20 L23 R31 L32 Y37R16-F35 HydrophobicContact CB-CE2 4.41Å; R16-F35 HydrophobicContact CB-CZ 4.37Å; R16-F35 PolarHBondContact NH1-O 2.86Å; R16-F35 VanDerWaalsContact O-CE2 3.26Å; R16-F35 WeakPolarHBondContact O-CE2 3.34Å; R16-F35 WeakPolarHBondContact O-CZ 3.36Å; E19-F35 HydrophobicContact CB-CE2 4.38Å; E19-F35 HydrophobicContact CG-CD2 4.2Å; E19-F35 HydrophobicContact CG-CE2 4.38Å; Y20-F35 HydrophobicContact CD2-CD1 4.16Å; Y20-F35 AromaticContact CD2-CE1 3.88Å; Y20-F35 HydrophobicContact CD2-CE1 3.88Å; Y20-F35 HydrophobicContact CD2-CZ 4.35Å; Y20-F35 HydrophobicContact CG-CE1 4.41Å; Y20-F35 HydrophobicContact CG-CZ 4.46Å; L23-F35 HydrophobicContact CD1-CB 4.17Å; L23-F35 HydrophobicContact CD1-CD2 4.42Å; R31-F35 PolarHBondContact O-N 3.4Å; L32-F35 WeakPolarHBondContact O-CB 3.5Å; L32-F35 PolarHBondContact O-N 2.91Å; F35-Y37 PolarHBondContact O-N 2.84Å
36F93.1Very high92.9Very high34 Ų3480.1 Ų80.115%0.14942%0.415CS..SBendtrans-82.4113.8175.8-62-69.4000110.6Y20 L32 D34 A41 I57 V58 L61Y20-F36 HydrophobicContact CD2-CZ 4.44Å; Y20-F36 AromaticContact CE2-CZ 3.94Å; Y20-F36 HydrophobicContact CE2-CZ 3.94Å; L32-F36 HydrophobicContact CG-CE2 4.12Å; L32-F36 WeakPolarHBondContact O-CD2 3.11Å; D34-F36 VanDerWaalsContact C-N 3.28Å; D34-F36 PolarHBondContact O-N 3.5Å; F36-A41 HydrophobicContact CB-CB 4.2Å; F36-I57 HydrophobicContact CD1-CD1 4.43Å; F36-I57 HydrophobicContact CD2-CG2 4.07Å; F36-I57 HydrophobicContact CE1-CG2 4.06Å; F36-I57 HydrophobicContact CE2-CB 4.33Å; F36-I57 HydrophobicContact CE2-CG2 3.46Å; F36-I57 VanDerWaalsContact CE2-CG2 3.46Å; F36-I57 HydrophobicContact CZ-CG2 3.45Å; F36-I57 VanDerWaalsContact CZ-CG2 3.45Å; F36-V58 HydrophobicContact CD2-CG2 4.38Å; F36-V58 HydrophobicContact CE2-CG2 4.36Å; F36-L61 HydrophobicContact CE2-CD1 4.29Å; F36-L61 HydrophobicContact CZ-CD1 4.21Å
37Y88.3Confident92.9Very high195 Ų19580.7 Ų80.777%0.76543%0.429SS*.SBendtrans-130.9138.5178-179-91.6000110.2F35F35-Y37 PolarHBondContact O-N 2.84Å
38P91Very high92.8Very high60 Ų6079.7 Ų79.739%0.3944%0.443SS..SBendcis-66.2173.6-8.629.4-37.2000113N40 A41P38-N40 WeakPolarHBondContact CB-OD1 3.41Å; P38-N40 WeakPolarHBondContact CG-OD1 3.43Å; P38-N40 PolarHBondContact O-N 2.72Å; P38-N40 VanDerWaalsContact O-N 3.14Å; P38-A41 WeakPolarHBondContact O-CB 3.4Å; P38-A41 PolarHBondContact O-N 3.47Å
39K88.6Confident92.6Very high112 Ų11281.7 Ų81.749%0.48745%0.453SS..THydrogen-bonded Turntrans-62-20.8-179.6-70.8-69.3-178.1-175.40113.6G33 D34 A41 S54G33-K39 PolarHBondContact O-NZ 3.12Å; D34-K39 IonicContact OD1-NZ 2.68Å; D34-K39 PolarHBondContact OD1-NZ 3.02Å; K39-A41 VanDerWaalsContact C-N 3.27Å; K39-A41 PolarHBondContact O-N 3.43Å; K39-S54 VanDerWaalsContact CD-OG 3.29Å; K39-S54 WeakPolarHBondContact CD-OG 3.49Å; K39-S54 PolarHBondContact O-N 2.99Å; K39-S54 PolarHBondContact O-OG 3.14Å; K39-S54 VanDerWaalsContact O-OG 3.12Å
40N92.7Very high92.6Very high110 Ų11082.5 Ų82.559%0.58847%0.465SS*.THydrogen-bonded Turntrans-9125.1169.566.6-30.1000112.9P38P38-N40 WeakPolarHBondContact CB-OD1 3.41Å; P38-N40 WeakPolarHBondContact CG-OD1 3.43Å; P38-N40 PolarHBondContact O-N 2.72Å; P38-N40 VanDerWaalsContact O-N 3.14Å
41A92.6Very high92.7Very high19 Ų1979.7 Ų79.716%0.15744%0.439CS..  trans-56.7138.2170.700000110.1F36 P38 K39 S53F36-A41 HydrophobicContact CB-CB 4.2Å; P38-A41 WeakPolarHBondContact O-CB 3.4Å; P38-A41 PolarHBondContact O-N 3.47Å; K39-A41 VanDerWaalsContact C-N 3.27Å; K39-A41 PolarHBondContact O-N 3.43Å; A41-S53 CarbonylContact O-C 3.58Å; A41-S53 WeakPolarHBondContact O-CA 3.48Å; A41-S53 PolarHBondContact O-N 3.47Å
42K94.3Very high92.6Very high140 Ų14076.7 Ų76.761%0.60943%0.434SS*.  trans-107.1141.4-179.7-56.6-169.7173.6-136.50110.9I51 D52K42-I51 CarbonylContact C-O 3.43Å; K42-I51 WeakPolarHBondContact CA-O 3.45Å; K42-D52 WeakPolarHBondContact CD-OD1 3.33Å; K42-D52 VanDerWaalsContact CE-OD1 3.25Å; K42-D52 WeakPolarHBondContact CE-OD1 3.48Å; K42-D52 IonicContact NZ-OD1 3.61Å; K42-D52 PolarHBondContact NZ-OD1 2.85Å
43L94.2Very high92.7Very high52 Ų5278 Ų7827%0.27244%0.442SS..EExtended strand (participates in β ladder)trans-117.2122.2170.6-179.464.8000109.3L45 C50 I51 I57L43-L45 HydrophobicContact CD2-CD2 3.91Å; L43-L45 HydrophobicContact CD2-CG 4.31Å; L43-L45 HydrophobicContact CG-CD2 4.08Å; L43-L45 HydrophobicContact CG-CG 4.26Å; L43-C50 WeakPolarHBondContact O-CA 3.44Å; L43-I51 HydrophobicContact CB-CB 4.35Å; L43-I51 HydrophobicContact CD2-CD1 4.45Å; L43-I51 PolarHBondContact N-O 3.27Å; L43-I51 PolarHBondContact O-N 2.86Å; L43-I57 HydrophobicContact CB-CD1 3.71Å; L43-I57 HydrophobicContact CB-CG1 3.68Å; L43-I57 HydrophobicContact CD2-CG1 4.33Å; L43-I57 HydrophobicContact CD2-CG2 4.02Å
44M93.9Very high92.7Very high160 Ų16077.8 Ų77.879%0.78844%0.439SS*.EExtended strand (participates in β ladder)trans-101.6117.7171.4-66.2-171.5-64.700109I49M44-I49 WeakPolarHBondContact CA-O 3.26Å
45L90.6Very high92.7Very high44 Ų4478 Ų7823%0.2344%0.437CS..PPolyproline II helixtrans-95.7160.1176.7-63.8170.9000110.6L43 G48 I49 I51 H60L43-L45 HydrophobicContact CD2-CD2 3.91Å; L43-L45 HydrophobicContact CD2-CG 4.31Å; L43-L45 HydrophobicContact CG-CD2 4.08Å; L43-L45 HydrophobicContact CG-CG 4.26Å; L45-G48 PolarHBondContact O-N 2.92Å; L45-I49 HydrophobicContact CB-CB 4.26Å; L45-I49 HydrophobicContact CD1-CG2 4.32Å; L45-I49 PolarHBondContact N-O 2.84Å; L45-I51 HydrophobicContact CD1-CD1 4.05Å; L45-H60 WeakPolarHBondContact CD1-NE2 3.32Å
46P89Confident92.8Very high123 Ų12381.3 Ų81.380%0.79945%0.453SS*.THydrogen-bonded Turntrans-50.7142.6169.1-25.835000111.8
47G91.8Very high92.9Very high85 Ų8579.8 Ų79.888%0.87645%0.446SS*.THydrogen-bonded Turntrans86.93.8-17700000115.1
48G91.4Very high93.3Very high72 Ų7271.1 Ų71.174%0.74241%0.413SS*.SBendtrans84.512.3173.300000114.5L45 C50L45-G48 PolarHBondContact O-N 2.92Å; G48-C50 PolarHBondContact O-N 3Å
49I92.6Very high93.5Very high99 Ų9973.6 Ų73.651%0.50842%0.418SS..  trans-71122.5172.9-60169.4000108.1M44 L45 I51M44-I49 WeakPolarHBondContact CA-O 3.26Å; L45-I49 HydrophobicContact CB-CB 4.26Å; L45-I49 HydrophobicContact CD1-CG2 4.32Å; L45-I49 PolarHBondContact N-O 2.84Å; I49-I51 HydrophobicContact CG2-CG1 4.44Å
50C95.2Very high93.7Very high62 Ų6271 Ų7142%0.41941%0.408SS..EExtended strand (participates in β ladder)trans-110.3131.8174.1-168.60000109.2L43 G48 D52L43-C50 WeakPolarHBondContact O-CA 3.44Å; G48-C50 PolarHBondContact O-N 3Å; C50-D52 PolarHBondContact SG-OD1 3.46Å; C50-D52 VanDerWaalsContact SG-OD1 3.35Å
51I95.5Very high93.7Very high16 Ų1666.9 Ų66.98%0.08239%0.386CS..EExtended strand (participates in β ladder)trans-114.1124.9173.5-55.1-179.7000106.8K42 L43 L45 I49 E56 I57 H60K42-I51 CarbonylContact C-O 3.43Å; K42-I51 WeakPolarHBondContact CA-O 3.45Å; L43-I51 HydrophobicContact CB-CB 4.35Å; L43-I51 HydrophobicContact CD2-CD1 4.45Å; L43-I51 PolarHBondContact N-O 3.27Å; L43-I51 PolarHBondContact O-N 2.86Å; L45-I51 HydrophobicContact CD1-CD1 4.05Å; I49-I51 HydrophobicContact CG2-CG1 4.44Å; I51-E56 HydrophobicContact CG2-CB 3.28Å; I51-I57 HydrophobicContact CB-CG1 4.14Å; I51-I57 HydrophobicContact CG2-CB 4.5Å; I51-I57 HydrophobicContact CG2-CG1 3.74Å; I51-H60 HydrophobicContact CD1-CB 3.67Å
52D93.7Very high93.7Very high75 Ų7569.2 Ų69.240%0.40139%0.393SS..  trans-104.17.5-160.3-76.9-48.4000114.6K42 C50 E56K42-D52 WeakPolarHBondContact CD-OD1 3.33Å; K42-D52 VanDerWaalsContact CE-OD1 3.25Å; K42-D52 WeakPolarHBondContact CE-OD1 3.48Å; K42-D52 IonicContact NZ-OD1 3.61Å; K42-D52 PolarHBondContact NZ-OD1 2.85Å; C50-D52 PolarHBondContact SG-OD1 3.46Å; C50-D52 VanDerWaalsContact SG-OD1 3.35Å; D52-E56 PolarHBondContact N-OE2 3.41Å
53S94.7Very high93.6Very high27 Ų2768.8 Ų68.819%0.18939%0.391CS..SBendtrans-150.8154.2177.365.10000113.2A41 E55 E56 I57A41-S53 CarbonylContact O-C 3.58Å; A41-S53 WeakPolarHBondContact O-CA 3.48Å; A41-S53 PolarHBondContact O-N 3.47Å; S53-E55 PolarHBondContact O-N 2.87Å; S53-E56 PolarHBondContact N-OE2 2.8Å; S53-E56 PolarHBondContact O-N 3.31Å; S53-E56 WeakPolarHBondContact OG-CB 3.24Å; S53-E56 WeakPolarHBondContact OG-CG 3.43Å; S53-E56 PolarHBondContact OG-N 2.99Å; S53-E56 PolarHBondContact OG-OE2 2.92Å; S53-I57 VanDerWaalsContact O-CG1 3.24Å; S53-I57 WeakPolarHBondContact O-CG1 3.12Å; S53-I57 PolarHBondContact O-N 3.41Å
54S94.7Very high93.2Very high7 Ų768.6 Ų68.65%0.04939%0.391CS..Hα-helixtrans-56.7-35.9173.359.50000112.3K39 I57 V58K39-S54 VanDerWaalsContact CD-OG 3.29Å; K39-S54 WeakPolarHBondContact CD-OG 3.49Å; K39-S54 PolarHBondContact O-N 2.99Å; K39-S54 PolarHBondContact O-OG 3.14Å; K39-S54 VanDerWaalsContact O-OG 3.12Å; S54-I57 PolarHBondContact O-N 3.3Å; S54-V58 WeakPolarHBondContact O-CG2 3.44Å; S54-V58 PolarHBondContact O-N 3.25Å; S54-V58 VanDerWaalsContact O-N 3.07Å
55E95.1Very high92.9Very high120 Ų12062 Ų6256%0.56136%0.36SS*.Hα-helixtrans-68.5-44-179.5-163.7-170.3151.500111.5S53 I57 V58 K59S53-E55 PolarHBondContact O-N 2.87Å; E55-I57 VanDerWaalsContact C-N 3.34Å; E55-V58 PolarHBondContact O-N 3.27Å; E55-K59 WeakPolarHBondContact O-CG 3.38Å; E55-K59 PolarHBondContact O-N 3.04Å; E55-K59 WeakPolarHBondContact OE1-CE 3.4Å; E55-K59 IonicContact OE1-NZ 3.91Å; E55-K59 PolarHBondContact OE1-NZ 3.19Å
56E95.5Very high92.6Very high95 Ų9566.6 Ų66.644%0.44438%0.38SS..Hα-helixtrans-69.5-33.3176.3-68.7172.1135.700112.3I51 D52 S53 V58 K59 H60I51-E56 HydrophobicContact CG2-CB 3.28Å; D52-E56 PolarHBondContact N-OE2 3.41Å; S53-E56 PolarHBondContact N-OE2 2.8Å; S53-E56 PolarHBondContact O-N 3.31Å; S53-E56 WeakPolarHBondContact OG-CB 3.24Å; S53-E56 WeakPolarHBondContact OG-CG 3.43Å; S53-E56 PolarHBondContact OG-N 2.99Å; S53-E56 PolarHBondContact OG-OE2 2.92Å; E56-V58 VanDerWaalsContact C-N 3.35Å; E56-K59 PolarHBondContact O-N 3.45Å; E56-H60 WeakPolarHBondContact O-CB 3.34Å; E56-H60 PolarHBondContact O-N 3.38Å
57I96Very high91.9Very high2 Ų267.2 Ų67.21%0.0137%0.37CS..Hα-helixtrans-60.2-48.5173.4-68.1165.2000109.6F36 L43 I51 S53 S54 E55 H60 L61F36-I57 HydrophobicContact CD1-CD1 4.43Å; F36-I57 HydrophobicContact CD2-CG2 4.07Å; F36-I57 HydrophobicContact CE1-CG2 4.06Å; F36-I57 HydrophobicContact CE2-CB 4.33Å; F36-I57 HydrophobicContact CE2-CG2 3.46Å; F36-I57 VanDerWaalsContact CE2-CG2 3.46Å; F36-I57 HydrophobicContact CZ-CG2 3.45Å; F36-I57 VanDerWaalsContact CZ-CG2 3.45Å; L43-I57 HydrophobicContact CB-CD1 3.71Å; L43-I57 HydrophobicContact CB-CG1 3.68Å; L43-I57 HydrophobicContact CD2-CG1 4.33Å; L43-I57 HydrophobicContact CD2-CG2 4.02Å; I51-I57 HydrophobicContact CB-CG1 4.14Å; I51-I57 HydrophobicContact CG2-CB 4.5Å; I51-I57 HydrophobicContact CG2-CG1 3.74Å; S53-I57 VanDerWaalsContact O-CG1 3.24Å; S53-I57 WeakPolarHBondContact O-CG1 3.12Å; S53-I57 PolarHBondContact O-N 3.41Å; S54-I57 PolarHBondContact O-N 3.3Å; E55-I57 VanDerWaalsContact C-N 3.34Å; I57-H60 WeakPolarHBondContact O-CB 3.27Å; I57-H60 PolarHBondContact O-N 3Å; I57-L61 HydrophobicContact CG2-CD1 3.93Å; I57-L61 HydrophobicContact CG2-CG 4.44Å; I57-L61 WeakPolarHBondContact O-CG 3.33Å; I57-L61 PolarHBondContact O-N 3.23Å
58V95.7Very high90.8Very high13 Ų1366.7 Ų66.78%0.07935%0.347CS..Hα-helixtrans-62.3-45.5178.2172.30000111.3W29 L32 F36 S54 E55 E56 H60 L61 E62W29-V58 HydrophobicContact CB-CG1 3.72Å; W29-V58 HydrophobicContact CE3-CG1 4.34Å; W29-V58 HydrophobicContact CG-CG1 4.35Å; L32-V58 HydrophobicContact CB-CG2 4.32Å; L32-V58 HydrophobicContact CG-CG2 4.41Å; F36-V58 HydrophobicContact CD2-CG2 4.38Å; F36-V58 HydrophobicContact CE2-CG2 4.36Å; S54-V58 WeakPolarHBondContact O-CG2 3.44Å; S54-V58 PolarHBondContact O-N 3.25Å; S54-V58 VanDerWaalsContact O-N 3.07Å; E55-V58 PolarHBondContact O-N 3.27Å; E56-V58 VanDerWaalsContact C-N 3.35Å; V58-H60 VanDerWaalsContact C-N 3.26Å; V58-H60 PolarHBondContact O-N 3.44Å; V58-L61 PolarHBondContact O-N 3.03Å; V58-L61 VanDerWaalsContact O-N 3.15Å; V58-E62 WeakPolarHBondContact O-CB 3.34Å; V58-E62 PolarHBondContact O-N 3.4Å
59K94.9Very high89.9Confident112 Ų11272.6 Ų72.649%0.48735%0.353SS..Hα-helixtrans-58.1-38.7176.1-74.4174.3-174.9164.40112.4E55 E56 K63E55-K59 WeakPolarHBondContact O-CG 3.38Å; E55-K59 PolarHBondContact O-N 3.04Å; E55-K59 WeakPolarHBondContact OE1-CE 3.4Å; E55-K59 IonicContact OE1-NZ 3.91Å; E55-K59 PolarHBondContact OE1-NZ 3.19Å; E56-K59 PolarHBondContact O-N 3.45Å; K59-K63 WeakPolarHBondContact O-CB 3.39Å; K59-K63 PolarHBondContact O-N 3.48Å; K59-K63 VanDerWaalsContact O-N 3.12Å
60H93.7Very high89.1Confident58 Ų5868.8 Ų68.827%0.26934%0.335SS..Hα-helixtrans-65.3-46.6176.217877.5000111.6L45 I51 E56 I57 V58 K63 D64L45-H60 WeakPolarHBondContact CD1-NE2 3.32Å; I51-H60 HydrophobicContact CD1-CB 3.67Å; E56-H60 WeakPolarHBondContact O-CB 3.34Å; E56-H60 PolarHBondContact O-N 3.38Å; I57-H60 WeakPolarHBondContact O-CB 3.27Å; I57-H60 PolarHBondContact O-N 3Å; V58-H60 VanDerWaalsContact C-N 3.26Å; V58-H60 PolarHBondContact O-N 3.44Å; H60-K63 PolarHBondContact O-N 3.48Å; H60-D64 IonicContact CE1-OD2 2.73Å; H60-D64 IonicContact NE2-OD2 2.77Å; H60-D64 PolarHBondContact O-N 2.92Å
61L92.2Very high88.7Confident24 Ų2470.3 Ų70.313%0.12634%0.336CS..Hα-helixtrans-65.6-41.7179.3-67.1172.3000112.4Y20 L24 L32 F36 I57 V58 D64 S65Y20-L61 HydrophobicContact CE2-CD1 4.17Å; L24-L61 HydrophobicContact CD1-CB 4.33Å; L32-L61 HydrophobicContact CD2-CD1 3.79Å; F36-L61 HydrophobicContact CE2-CD1 4.29Å; F36-L61 HydrophobicContact CZ-CD1 4.21Å; I57-L61 HydrophobicContact CG2-CD1 3.93Å; I57-L61 HydrophobicContact CG2-CG 4.44Å; I57-L61 WeakPolarHBondContact O-CG 3.33Å; I57-L61 PolarHBondContact O-N 3.23Å; V58-L61 PolarHBondContact O-N 3.03Å; V58-L61 VanDerWaalsContact O-N 3.15Å; L61-D64 PolarHBondContact O-N 3.43Å; L61-S65 PolarHBondContact O-N 3.15Å
62E93.5Very high88.3Confident67 Ų6770.2 Ų70.231%0.31334%0.336SS..Hα-helixtrans-58.4-50.8175.1179.7171.6-151.500110.3W29 V58 D64 S65 E66W29-E62 VanDerWaalsContact CD1-OE1 3.24Å; W29-E62 HydrophobicContact CD2-CB 4.17Å; W29-E62 HydrophobicContact CD2-CG 4.38Å; W29-E62 HydrophobicContact CH2-CB 4.4Å; W29-E62 HydrophobicContact CZ2-CB 4.03Å; W29-E62 HydrophobicContact CZ2-CG 4.03Å; W29-E62 PolarHBondContact NE1-OE1 2.84Å; V58-E62 WeakPolarHBondContact O-CB 3.34Å; V58-E62 PolarHBondContact O-N 3.4Å; E62-D64 VanDerWaalsContact C-N 3.26Å; E62-D64 PolarHBondContact O-N 3.07Å; E62-S65 PolarHBondContact O-N 3.46Å; E62-S65 VanDerWaalsContact O-N 3.1Å; E62-S65 PolarHBondContact O-OG 3Å; E62-E66 PolarHBondContact O-N 2.91Å; E62-E66 VanDerWaalsContact O-N 3.12Å
63K91.4Very high88Confident131 Ų13170 Ų7057%0.5733%0.334SS*.Hα-helixtrans-59.9-35.3176.9-174.5175.8-177.9176.60113.1K59 H60K59-K63 WeakPolarHBondContact O-CB 3.39Å; K59-K63 PolarHBondContact O-N 3.48Å; K59-K63 VanDerWaalsContact O-N 3.12Å; H60-K63 PolarHBondContact O-N 3.48Å
64D86.6Confident87.8Confident49 Ų4971 Ų7126%0.26234%0.337SS..Hα-helixtrans-74.3-33.1177.4-89.75.8000112.6H60 L61 E62 E66 K67H60-D64 IonicContact CE1-OD2 2.73Å; H60-D64 IonicContact NE2-OD2 2.77Å; H60-D64 PolarHBondContact O-N 2.92Å; L61-D64 PolarHBondContact O-N 3.43Å; E62-D64 VanDerWaalsContact C-N 3.26Å; E62-D64 PolarHBondContact O-N 3.07Å; D64-E66 VanDerWaalsContact C-N 3.31Å; D64-E66 PolarHBondContact O-N 2.73Å; D64-K67 PolarHBondContact O-N 2.9Å; D64-K67 IonicContact OD1-NZ 3.98Å; D64-K67 PolarHBondContact OD1-NZ 3.45Å
65S86.4Confident87.5Confident21 Ų2176.8 Ų76.815%0.14736%0.361CS..Hα-helixtrans-68.8-26.317372.20000113.9W29 L61 E62 D68W29-S65 WeakPolarHBondContact CH2-OG 3.48Å; W29-S65 WeakPolarHBondContact CZ2-OG 3.19Å; L61-S65 PolarHBondContact O-N 3.15Å; E62-S65 PolarHBondContact O-N 3.46Å; E62-S65 VanDerWaalsContact O-N 3.1Å; E62-S65 PolarHBondContact O-OG 3Å; S65-D68 CarbonylContact O-C 3.31Å; S65-D68 VanDerWaalsContact O-C 3.31Å
66E84.4Confident87.3Confident140 Ų14071.8 Ų71.865%0.65434%0.338SS*.Hα-helixtrans-72.6-30.7177.4-73.8179.1166.100112.6E62 D64E62-E66 PolarHBondContact O-N 2.91Å; E62-E66 VanDerWaalsContact O-N 3.12Å; D64-E66 VanDerWaalsContact C-N 3.31Å; D64-E66 PolarHBondContact O-N 2.73Å
67K76.1Confident87Confident136 Ų13670.8 Ų70.859%0.59134%0.336SS*.Hα-helixtrans-69.8-39-179.2-69.5173.3-168.9154.80112.1D64D64-K67 PolarHBondContact O-N 2.9Å; D64-K67 IonicContact OD1-NZ 3.98Å; D64-K67 PolarHBondContact OD1-NZ 3.45Å
68D68Low86.8Confident74 Ų7474 Ų7440%0.39635%0.351SS..  trans-134.8110.8177.6-82.5-43000107.4S65 S70 R94S65-D68 CarbonylContact O-C 3.31Å; S65-D68 VanDerWaalsContact O-C 3.31Å; D68-S70 PolarHBondContact O-N 3.17Å; D68-S70 PolarHBondContact O-OG 3.44Å; D68-R94 IonicContact OD2-NH1 2.71Å
69K71.5Confident86.6Confident197 Ų19774 Ų7486%0.85735%0.351SS*.  trans-67.436.4172.7-66.1-174.9176.9-178.80112.5
70S76.9Confident86.3Confident18 Ų1871.9 Ų71.913%0.12635%0.345CS..PPolyproline II helixtrans-87136.2-176610000110.7D68 K95D68-S70 PolarHBondContact O-N 3.17Å; D68-S70 PolarHBondContact O-OG 3.44Å; S70-K95 CarbonylContact C-O 3.4Å; S70-K95 WeakPolarHBondContact CA-O 3.46Å; S70-K95 WeakPolarHBondContact CB-O 3.38Å
71E85.7Confident86.1Confident94 Ų9470.1 Ų70.144%0.43934%0.343SS..EExtended strand (participates in β ladder)trans-65.4131.7165-177.4-174.2-173.200109.4I73 R94 K95E71-I73 HydrophobicContact CG-CG1 4.45Å; E71-R94 CarbonylContact O-C 3.44Å; E71-R94 WeakPolarHBondContact O-CA 3.14Å; E71-K95 HydrophobicContact CB-CB 4.33Å; E71-K95 PolarHBondContact N-O 3.1Å; E71-K95 PolarHBondContact O-N 3.12Å
72V86.8Confident85.8Confident15 Ų1573.3 Ų73.39%0.09136%0.36CS..EExtended strand (participates in β ladder)trans-93.4130.1175.3170.40000109.7L24 N25 L74 Y92L24-V72 HydrophobicContact CD2-CB 3.87Å; L24-V72 HydrophobicContact CD2-CG1 3.88Å; L24-V72 HydrophobicContact CD2-CG2 4Å; N25-V72 PolarHBondContact ND2-O 2.89Å; N25-V72 PolarHBondContact OD1-N 3.47Å; N25-V72 PolarHBondContact OD1-O 3.48Å; V72-L74 HydrophobicContact CG1-CD1 4.13Å; V72-L74 HydrophobicContact CG1-CG 4.05Å; V72-Y92 HydrophobicContact CG1-CD2 4.06Å; V72-Y92 HydrophobicContact CG1-CE2 3.53Å; V72-Y92 HydrophobicContact CG2-CE2 4.32Å
73I88.3Confident85.3Confident69 Ų6972.8 Ų72.835%0.35437%0.372SS..EExtended strand (participates in β ladder)trans-121.8108176.1-52.8171.5000108.3E71 Y92 K93E71-I73 HydrophobicContact CG-CG1 4.45Å; I73-Y92 WeakPolarHBondContact O-CA 3.46Å; I73-K93 HydrophobicContact CB-CB 4.29Å; I73-K93 PolarHBondContact N-O 3.17Å; I73-K93 PolarHBondContact O-N 3.07Å
74L89.9Confident85.1Confident48 Ų4875.5 Ų75.525%0.25139%0.387SS..EExtended strand (participates in β ladder)trans-105.8129.4172.2-70159000110L17 Y20 N21 V72 T91 Y92L17-L74 HydrophobicContact CD1-CB 3.89Å; L17-L74 HydrophobicContact CD1-CD1 3.94Å; L17-L74 HydrophobicContact CD1-CG 4.49Å; L17-L74 HydrophobicContact CD2-CB 3.99Å; L17-L74 HydrophobicContact CG-CB 4.21Å; Y20-L74 HydrophobicContact CD1-CD1 3.98Å; Y20-L74 HydrophobicContact CE1-CD1 3.72Å; N21-L74 PolarHBondContact ND2-O 3.27Å; N21-L74 WeakPolarHBondContact OD1-CB 3.41Å; N21-L74 WeakPolarHBondContact OD1-CD1 3.32Å; V72-L74 HydrophobicContact CG1-CD1 4.13Å; V72-L74 HydrophobicContact CG1-CG 4.05Å; L74-T91 WeakPolarHBondContact CA-O 3.35Å; L74-Y92 HydrophobicContact CD2-CD2 3.48Å; L74-Y92 VanDerWaalsContact CD2-CD2 3.48Å; L74-Y92 HydrophobicContact CD2-CE2 4.41Å; L74-Y92 HydrophobicContact CD2-CG 4.19Å; L74-Y92 HydrophobicContact CG-CD2 3.97Å
75K89.6Confident85.3Confident130 Ų13079.8 Ų79.857%0.56540%0.399SS*.EExtended strand (participates in β ladder)trans-127.9136.8174.9-175.6-174.1173.9-163.90110.3D77 G90 T91K75-D77 IonicContact NZ-OD1 2.66Å; K75-G90 CarbonylContact O-C 3.54Å; K75-G90 WeakPolarHBondContact O-CA 3.16Å; K75-T91 PolarHBondContact N-O 3.49Å; K75-T91 PolarHBondContact O-N 3.02Å
76I90.2Very high85.5Confident14 Ų1481.1 Ų81.17%0.07241%0.411CS..EExtended strand (participates in β ladder)trans-95.1129.8174.9-71.1163000110.3R10 V13 E14 L17 V79 T88R10-I76 PolarHBondContact NH2-O 3.05Å; V13-I76 HydrophobicContact CG1-CD1 3.64Å; E14-I76 HydrophobicContact CG-CB 4.38Å; E14-I76 HydrophobicContact CG-CD1 4.21Å; L17-I76 HydrophobicContact CB-CD1 4.02Å; L17-I76 HydrophobicContact CD2-CD1 3.43Å; L17-I76 VanDerWaalsContact CD2-CD1 3.43Å; L17-I76 HydrophobicContact CD2-CG1 3.45Å; L17-I76 VanDerWaalsContact CD2-CG1 3.45Å; L17-I76 HydrophobicContact CG-CD1 4.34Å; I76-V79 HydrophobicContact CG2-CG2 3.4Å; I76-V79 VanDerWaalsContact CG2-CG2 3.4Å; I76-T88 HydrophobicContact CD1-CG2 4.13Å; I76-T88 HydrophobicContact CG1-CG2 4.39Å
77D89.6Confident85.9Confident75 Ų7579.4 Ų79.440%0.40140%0.402SS..EExtended strand (participates in β ladder)trans-103.5-39.1173.9-59.7-52.3000110.5R10 K75 R89 G90R10-D77 PolarHBondContact NH1-O 3.14Å; R10-D77 PolarHBondContact NH2-O 2.94Å; K75-D77 IonicContact NZ-OD1 2.66Å; D77-R89 PolarHBondContact N-O 3.16Å; D77-G90 WeakPolarHBondContact OD2-CA 3.38Å
78E90.6Very high86.6Confident69 Ų6976 Ų7632%0.32239%0.393SS..EExtended strand (participates in β ladder)trans-133.1140.5-176.7-168.7-179.818000111.4T88 R89E78-T88 WeakPolarHBondContact O-CA 3.39Å; E78-R89 HydrophobicContact CB-CB 4.14Å; E78-R89 PolarHBondContact N-O 3.41Å; E78-R89 PolarHBondContact O-N 3.25Å; E78-R89 IonicContact OE2-NH1 3.13Å; E78-R89 PolarHBondContact OE2-NH1 3.43Å; E78-R89 VanDerWaalsContact OE2-NH1 3.13Å
79V91.3Very high87.7Confident14 Ų1479.8 Ų79.89%0.08540%0.402CS..EExtended strand (participates in β ladder)trans-131.8128.6171.9-175.70000108.6L9 R10 V13 I76 F87 T88L9-V79 HydrophobicContact CD2-CG1 4.25Å; L9-V79 HydrophobicContact CG-CG1 4.13Å; R10-V79 HydrophobicContact CB-CB 4.33Å; R10-V79 HydrophobicContact CB-CG2 4.29Å; R10-V79 HydrophobicContact CG-CB 4.47Å; R10-V79 HydrophobicContact CG-CG2 3.99Å; V13-V79 HydrophobicContact CG2-CG1 4.35Å; I76-V79 HydrophobicContact CG2-CG2 3.4Å; I76-V79 VanDerWaalsContact CG2-CG2 3.4Å; V79-F87 WeakPolarHBondContact CA-O 3.35Å; V79-T88 HydrophobicContact CG2-CG2 4.3Å
80L89.3Confident88.6Confident66 Ų6672.4 Ų72.435%0.34638%0.382SS..EExtended strand (participates in β ladder)trans-121.6147.7170.6-58.6174000108.6W85 A86 F87L80-W85 HydrophobicContact CB-CH2 4.4Å; L80-W85 HydrophobicContact CB-CZ3 4.31Å; L80-W85 WeakPolarHBondContact O-CZ3 3.5Å; L80-A86 CarbonylContact O-C 3.53Å; L80-A86 WeakPolarHBondContact O-CA 3.37Å; L80-F87 HydrophobicContact CB-CB 4.4Å; L80-F87 HydrophobicContact CD1-CD1 4.24Å; L80-F87 PolarHBondContact N-O 3.24Å; L80-F87 PolarHBondContact O-N 3.41Å
81G89.7Confident89.2Confident22 Ų2273.2 Ų73.223%0.22739%0.386CS..EExtended strand (participates in β ladder)trans151.8178.5178.400000113.7L9 W85L9-G81 VanDerWaalsContact CD2-C 3.42Å; G81-W85 WeakPolarHBondContact CA-O 3.29Å
82D86.8Confident89.4Confident91 Ų9172.1 Ų72.149%0.48738%0.378SS..  trans-122.9-2.5-175.756.618.8000114.1E84 W85D82-E84 PolarHBondContact OD1-N 2.81Å; D82-W85 VanDerWaalsContact CG-CD1 3.45Å; D82-W85 PolarHBondContact N-O 2.8Å; D82-W85 PolarHBondContact OD1-N 2.84Å; D82-W85 PolarHBondContact OD1-NE1 3.37Å; D82-W85 VanDerWaalsContact OD2-CD1 3.24Å; D82-W85 PolarHBondContact OD2-NE1 2.94Å
83G82Confident89.4Confident55 Ų5574.4 Ų74.457%0.56739%0.387SS*.SBendtrans106.9-22.8-177.500000113.7
84E87.4Confident89.2Confident188 Ų18874.2 Ų74.288%0.87938%0.381SS*.SBendtrans-88.3-37169.3-62.3-168.4161.500110.9D82D82-E84 PolarHBondContact OD1-N 2.81Å
85W90.2Very high88.7Confident139 Ų13975.7 Ų75.753%0.52739%0.386SS..  trans-126157.517264.9-85.1000111.7L80 G81 D82 F87L80-W85 HydrophobicContact CB-CH2 4.4Å; L80-W85 HydrophobicContact CB-CZ3 4.31Å; L80-W85 WeakPolarHBondContact O-CZ3 3.5Å; G81-W85 WeakPolarHBondContact CA-O 3.29Å; D82-W85 VanDerWaalsContact CG-CD1 3.45Å; D82-W85 PolarHBondContact N-O 2.8Å; D82-W85 PolarHBondContact OD1-N 2.84Å; D82-W85 PolarHBondContact OD1-NE1 3.37Å; D82-W85 VanDerWaalsContact OD2-CD1 3.24Å; D82-W85 PolarHBondContact OD2-NE1 2.94Å; W85-F87 HydrophobicContact CE3-CB 4.38Å; W85-F87 HydrophobicContact CZ3-CB 3.92Å
86A91.8Very high88Confident49 Ų4972 Ų7241%0.40538%0.379SS..EExtended strand (participates in β ladder)trans-138.8132.4170.700000109.8L9 V13 L80L9-A86 HydrophobicContact CD1-CB 4.29Å; L9-A86 HydrophobicContact CD2-CB 4.42Å; V13-A86 HydrophobicContact CG2-CB 3.86Å; L80-A86 CarbonylContact O-C 3.53Å; L80-A86 WeakPolarHBondContact O-CA 3.37Å
87F91.3Very high87.2Confident104 Ų10474.1 Ų74.146%0.45641%0.405SS..EExtended strand (participates in β ladder)trans-105.6129.6164.9174.6-92.4000108.3V79 L80 W85 R89V79-F87 WeakPolarHBondContact CA-O 3.35Å; L80-F87 HydrophobicContact CB-CB 4.4Å; L80-F87 HydrophobicContact CD1-CD1 4.24Å; L80-F87 PolarHBondContact N-O 3.24Å; L80-F87 PolarHBondContact O-N 3.41Å; W85-F87 HydrophobicContact CE3-CB 4.38Å; W85-F87 HydrophobicContact CZ3-CB 3.92Å; F87-R89 HydrophobicContact CE1-CB 4.35Å
88T90.9Very high86.1Confident65 Ų6578.1 Ų78.140%0.39943%0.427SS..EExtended strand (participates in β ladder)trans-117.6141.4177.859.90000110.9V13 I76 E78 V79V13-T88 HydrophobicContact CG1-CG2 3.55Å; I76-T88 HydrophobicContact CD1-CG2 4.13Å; I76-T88 HydrophobicContact CG1-CG2 4.39Å; E78-T88 WeakPolarHBondContact O-CA 3.39Å; V79-T88 HydrophobicContact CG2-CG2 4.3Å
89R91.7Very high84.8Confident154 Ų15481 Ų8158%0.58144%0.444SS*.EExtended strand (participates in β ladder)trans-120.8140.8164.4179.8-176.6-76.9153.5-11.8108.3D77 E78 F87D77-R89 PolarHBondContact N-O 3.16Å; E78-R89 HydrophobicContact CB-CB 4.14Å; E78-R89 PolarHBondContact N-O 3.41Å; E78-R89 PolarHBondContact O-N 3.25Å; E78-R89 IonicContact OE2-NH1 3.13Å; E78-R89 PolarHBondContact OE2-NH1 3.43Å; E78-R89 VanDerWaalsContact OE2-NH1 3.13Å; F87-R89 HydrophobicContact CE1-CB 4.35Å
90G90.2Very high83.5Confident42 Ų4284 Ų8443%0.43346%0.462SS..EExtended strand (participates in β ladder)trans-169.5-171.4-171.200000113.7K75 D77K75-G90 CarbonylContact O-C 3.54Å; K75-G90 WeakPolarHBondContact O-CA 3.16Å; D77-G90 WeakPolarHBondContact OD2-CA 3.38Å
91T90.7Very high82.3Confident35 Ų3586.7 Ų86.722%0.21547%0.473CS..EExtended strand (participates in β ladder)trans-109.2138.5177.3-50.80000109.9L74 K75 K93L74-T91 WeakPolarHBondContact CA-O 3.35Å; K75-T91 PolarHBondContact N-O 3.49Å; K75-T91 PolarHBondContact O-N 3.02Å; T91-K93 HydrophobicContact CG2-CD 4.38Å; T91-K93 HydrophobicContact CG2-CG 3.9Å
92Y88.9Confident81.3Confident70 Ų7089.5 Ų89.528%0.27548%0.483SS..EExtended strand (participates in β ladder)trans-119.3122.2171.3172.4-107.9000109.4V72 I73 L74 R94 N103V72-Y92 HydrophobicContact CG1-CD2 4.06Å; V72-Y92 HydrophobicContact CG1-CE2 3.53Å; V72-Y92 HydrophobicContact CG2-CE2 4.32Å; I73-Y92 WeakPolarHBondContact O-CA 3.46Å; L74-Y92 HydrophobicContact CD2-CD2 3.48Å; L74-Y92 VanDerWaalsContact CD2-CD2 3.48Å; L74-Y92 HydrophobicContact CD2-CE2 4.41Å; L74-Y92 HydrophobicContact CD2-CG 4.19Å; L74-Y92 HydrophobicContact CG-CD2 3.97Å; Y92-R94 HydrophobicContact CE1-CG 3.95Å; Y92-R94 VanDerWaalsContact OH-CZ 3.24Å; Y92-R94 PolarHBondContact OH-NE 3.12Å; Y92-R94 PolarHBondContact OH-NH2 2.71Å; Y92-N103 HydrophobicContact CD1-CB 3.95Å; Y92-N103 PolarHBondContact O-N 3.32Å
93K86.5Confident80.2Confident63 Ų6389.7 Ų89.727%0.27448%0.484SS..EExtended strand (participates in β ladder)trans-125.9149.7174.7-49.3-166179.7-156.60110.7I73 T91 V100 Q101 D102I73-K93 HydrophobicContact CB-CB 4.29Å; I73-K93 PolarHBondContact N-O 3.17Å; I73-K93 PolarHBondContact O-N 3.07Å; T91-K93 HydrophobicContact CG2-CD 4.38Å; T91-K93 HydrophobicContact CG2-CG 3.9Å; K93-V100 HydrophobicContact CB-CG1 4.17Å; K93-V100 HydrophobicContact CD-CG1 3.98Å; K93-Q101 WeakPolarHBondContact CA-O 3.36Å; K93-D102 HydrophobicContact CD-CB 4.37Å; K93-D102 WeakPolarHBondContact CE-OD1 3.35Å; K93-D102 WeakPolarHBondContact CE-OD2 3.46Å; K93-D102 IonicContact NZ-OD1 3.92Å; K93-D102 IonicContact NZ-OD2 2.8Å; K93-D102 PolarHBondContact NZ-OD2 3.2Å
94R84.4Confident78.4Confident65 Ų6588.5 Ų88.525%0.24547%0.471CS..EExtended strand (participates in β ladder)trans-115.9132.3167.8-66.7-175.1-164.8-165.8-5108.9D68 E71 Y92 V100 Q101D68-R94 IonicContact OD2-NH1 2.71Å; E71-R94 CarbonylContact O-C 3.44Å; E71-R94 WeakPolarHBondContact O-CA 3.14Å; Y92-R94 HydrophobicContact CE1-CG 3.95Å; Y92-R94 VanDerWaalsContact OH-CZ 3.24Å; Y92-R94 PolarHBondContact OH-NE 3.12Å; Y92-R94 PolarHBondContact OH-NH2 2.71Å; R94-V100 CarbonylContact O-C 3.53Å; R94-V100 WeakPolarHBondContact O-CA 3.38Å; R94-Q101 PolarHBondContact N-O 3.03Å; R94-Q101 PolarHBondContact O-N 3.33Å
95K80.4Confident76.3Confident80 Ų8093 Ų9335%0.34849%0.488SS..EExtended strand (participates in β ladder)trans-117.9112.8175.7-178.8179.8178-170.70110S70 E71 G97 N99 V100S70-K95 CarbonylContact C-O 3.4Å; S70-K95 WeakPolarHBondContact CA-O 3.46Å; S70-K95 WeakPolarHBondContact CB-O 3.38Å; E71-K95 HydrophobicContact CB-CB 4.33Å; E71-K95 PolarHBondContact N-O 3.1Å; E71-K95 PolarHBondContact O-N 3.12Å; K95-G97 WeakPolarHBondContact CE-O 3.34Å; K95-G97 WeakPolarHBondContact CG-O 3.05Å; K95-N99 WeakPolarHBondContact CA-O 3.15Å; K95-V100 HydrophobicContact CB-CG2 4.2Å; K95-V100 HydrophobicContact CD-CG2 4.17Å; K95-V100 HydrophobicContact CG-CG2 3.92Å
96A74.1Confident75.6Confident51 Ų5190.7 Ų90.742%0.42149%0.486SS..EExtended strand (participates in β ladder)trans-112.5103.4173.700000109D98 N99A96-D98 PolarHBondContact O-N 3.26Å; A96-N99 PolarHBondContact N-O 2.7Å; A96-N99 PolarHBondContact O-N 2.67Å
97G72.8Confident74.8Confident60 Ų6092.9 Ų92.962%0.61949%0.49SS*.THydrogen-bonded Turntrans63.2-127.9-17000000111.2K95K95-G97 WeakPolarHBondContact CE-O 3.34Å; K95-G97 WeakPolarHBondContact CG-O 3.05Å
98D67.6Low73.8Confident159 Ų15992.3 Ų92.385%0.8549%0.492SS*.THydrogen-bonded Turntrans-85.3-10177.6-66.8-35.9000113.7A96A96-D98 PolarHBondContact O-N 3.26Å
99N62.1Low72.8Confident130 Ų13093.9 Ų93.970%0.69550%0.498SS*.EExtended strand (participates in β ladder)trans-87.2121.2-179.9-73.4-31.7000110.8K95 A96K95-N99 WeakPolarHBondContact CA-O 3.15Å; A96-N99 PolarHBondContact N-O 2.7Å; A96-N99 PolarHBondContact O-N 2.67Å
100V65.2Low71.6Confident76 Ų7690.1 Ų90.146%0.46149%0.493SS..EExtended strand (participates in β ladder)trans-104.3113.4172-178.50000108.5K93 R94 K95K93-V100 HydrophobicContact CB-CG1 4.17Å; K93-V100 HydrophobicContact CD-CG1 3.98Å; R94-V100 CarbonylContact O-C 3.53Å; R94-V100 WeakPolarHBondContact O-CA 3.38Å; K95-V100 HydrophobicContact CB-CG2 4.2Å; K95-V100 HydrophobicContact CD-CG2 4.17Å; K95-V100 HydrophobicContact CG-CG2 3.92Å
101Q63.7Low70.4Confident122 Ų12293.3 Ų93.357%0.5750%0.497SS*.EExtended strand (participates in β ladder)trans-84.6115.8163.4-82.8-174.2-9.700108.7K93 R94K93-Q101 WeakPolarHBondContact CA-O 3.36Å; R94-Q101 PolarHBondContact N-O 3.03Å; R94-Q101 PolarHBondContact O-N 3.33Å
102D67.6Low69Low81 Ų8197.5 Ų97.543%0.43352%0.517SS..EExtended strand (participates in β ladder)trans-94106173.8-164.5-10.6000108.8K93 G104K93-D102 HydrophobicContact CD-CB 4.37Å; K93-D102 WeakPolarHBondContact CE-OD1 3.35Å; K93-D102 WeakPolarHBondContact CE-OD2 3.46Å; K93-D102 IonicContact NZ-OD1 3.92Å; K93-D102 IonicContact NZ-OD2 2.8Å; K93-D102 PolarHBondContact NZ-OD2 3.2Å; D102-G104 PolarHBondContact O-N 3.27Å; D102-G104 PolarHBondContact OD1-N 3.18Å; D102-G104 VanDerWaalsContact OD1-N 3.08Å
103N63.9Low67.4Low96 Ų9699.6 Ų99.651%0.51354%0.535SS..  trans-91.816.3178.2-71-9.9000111.3Y92Y92-N103 HydrophobicContact CD1-CB 3.95Å; Y92-N103 PolarHBondContact O-N 3.32Å
104G44.6Very low65.8Low29 Ų29102.7 Ų102.730%0.29956%0.557SS.*  trans-118.163.3-174.200000114.6D102D102-G104 PolarHBondContact O-N 3.27Å; D102-G104 PolarHBondContact OD1-N 3.18Å; D102-G104 VanDerWaalsContact OD1-N 3.08Å
105K43.6Very low64.2Low283 Ų283106.1 Ų106.1100%1.2359%0.585SS**  trans-167.90139.2-106.7-175.9-173-1770111.1

Retrieved 105 of 105 residues in 48.9 ms (Link to these results)

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