A0A077ZJ71_TRITR Loading...

YgbA NO domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJ71, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 117 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
1M49.3Very low84.4Confident247 Ų24770 Ų70100%1.21736%0.361SS*.  0129.20-63.6-169.9-171.300107.9
2S64.6Low85.2Confident48 Ų4864.5 Ų64.534%0.33633%0.333SS..  trans-68.1134.6172.8-39.10000108.5K10 D46S2-K10 PolarHBondContact OG-NZ 3.39Å; S2-D46 PolarHBondContact OG-OD1 3.21Å
3G80.3Confident85.9Confident27 Ų2759.8 Ų59.828%0.27831%0.309SS..  trans-73.4-178.5179.700000112.5R5 I6 S7 E52G3-R5 PolarHBondContact O-N 3.01Å; G3-I6 PolarHBondContact O-N 3.39Å; G3-S7 WeakPolarHBondContact O-CB 3.32Å; G3-S7 PolarHBondContact O-N 3.15Å; G3-S7 PolarHBondContact O-OG 3.03Å; G3-E52 VanDerWaalsContact C-CD 3.5Å; G3-E52 VanDerWaalsContact C-OE1 3.27Å; G3-E52 VanDerWaalsContact C-OE2 3.23Å; G3-E52 WeakPolarHBondContact CA-OE1 3.37Å; G3-E52 WeakPolarHBondContact CA-OE2 3.44Å; G3-E52 PolarHBondContact N-OE1 3.19Å
4K87.8Confident86.6Confident193 Ų19359.1 Ų59.184%0.83930%0.302SS*.Hα-helixtrans-59.8-35.4-173.7-69.2179.2-178.6175.10111.8R8 E52K4-R8 WeakPolarHBondContact O-CB 3.46Å; K4-R8 PolarHBondContact O-N 3.29Å; K4-R8 VanDerWaalsContact O-N 3.1Å; K4-E52 PolarHBondContact N-OE2 3.24Å
5R87.5Confident87.3Confident9 Ų960.1 Ų60.13%0.03430%0.303CS..Hα-helixtrans-77.8-47.6-177-166.4-173.3-177.4-162.8-10.6111.8G3 S7 R8 E9 E52 K54 D98G3-R5 PolarHBondContact O-N 3.01Å; R5-S7 PolarHBondContact O-N 3.43Å; R5-R8 WeakPolarHBondContact O-CA 3.35Å; R5-R8 WeakPolarHBondContact O-CB 3.35Å; R5-R8 PolarHBondContact O-N 3.28Å; R5-E9 VanDerWaalsContact O-CG 3.31Å; R5-E9 WeakPolarHBondContact O-CG 3.47Å; R5-E9 PolarHBondContact O-N 3.34Å; R5-E52 WeakPolarHBondContact CA-OE2 3.37Å; R5-E52 WeakPolarHBondContact CB-OE2 3.41Å; R5-E52 WeakPolarHBondContact CD-O 3.46Å; R5-E52 PolarHBondContact N-OE2 3.38Å; R5-E52 PolarHBondContact NH1-O 3.27Å; R5-K54 PolarHBondContact NH1-O 3.19Å; R5-K54 PolarHBondContact NH2-O 2.77Å; R5-D98 IonicContact NE-OD1 2.61Å
6I91.9Very high87.8Confident5 Ų557.1 Ų57.13%0.02629%0.288CS..Hα-helixtrans-59.3-39.1175.8-70.5-68.7000110.4G3 R8 E9 K10 L45 C48 E52 K54G3-I6 PolarHBondContact O-N 3.39Å; I6-R8 VanDerWaalsContact C-N 3.35Å; I6-R8 PolarHBondContact O-N 3.42Å; I6-E9 PolarHBondContact O-N 3.3Å; I6-K10 WeakPolarHBondContact O-CG 3.48Å; I6-K10 PolarHBondContact O-N 3.21Å; I6-L45 HydrophobicContact CD1-CD2 4.1Å; I6-L45 HydrophobicContact CG2-CB 4.12Å; I6-C48 HydrophobicContact CD1-CB 4.29Å; I6-E52 VanDerWaalsContact CB-OE1 3.27Å; I6-E52 WeakPolarHBondContact CB-OE1 3.03Å; I6-E52 WeakPolarHBondContact CG1-OE1 3.31Å; I6-E52 PolarHBondContact N-OE1 3.1Å; I6-E52 VanDerWaalsContact N-OE1 3.14Å; I6-K54 HydrophobicContact CD1-CD 3.61Å; I6-K54 HydrophobicContact CD1-CG 4.31Å
7S92.6Very high88.3Confident55 Ų5553.7 Ų53.739%0.38527%0.271SS..Hα-helixtrans-62.3-40.9175.5-56.40000112.2G3 R5 K10 L11G3-S7 WeakPolarHBondContact O-CB 3.32Å; G3-S7 PolarHBondContact O-N 3.15Å; G3-S7 PolarHBondContact O-OG 3.03Å; R5-S7 PolarHBondContact O-N 3.43Å; S7-K10 PolarHBondContact O-N 3.42Å; S7-L11 PolarHBondContact O-N 3.06Å
8R92Very high88.7Confident63 Ų6353.3 Ų53.324%0.23827%0.27CS..Hα-helixtrans-65.1-40174.1178.6169.466.3-145.24.8112.7K4 R5 I6 L11 T12 L91 D98K4-R8 WeakPolarHBondContact O-CB 3.46Å; K4-R8 PolarHBondContact O-N 3.29Å; K4-R8 VanDerWaalsContact O-N 3.1Å; R5-R8 WeakPolarHBondContact O-CA 3.35Å; R5-R8 WeakPolarHBondContact O-CB 3.35Å; R5-R8 PolarHBondContact O-N 3.28Å; I6-R8 VanDerWaalsContact C-N 3.35Å; I6-R8 PolarHBondContact O-N 3.42Å; R8-L11 PolarHBondContact O-N 3.48Å; R8-T12 WeakPolarHBondContact O-CB 3.44Å; R8-T12 PolarHBondContact O-N 2.88Å; R8-T12 PolarHBondContact O-OG1 3.33Å; R8-L91 HydrophobicContact CG-CD1 3.85Å; R8-D98 IonicContact CZ-OD2 3.23Å; R8-D98 VanDerWaalsContact CZ-OD2 3.23Å; R8-D98 IonicContact NE-OD2 3.1Å; R8-D98 PolarHBondContact NE-OD2 3.22Å; R8-D98 VanDerWaalsContact NE-OD2 3.1Å; R8-D98 IonicContact NH2-OD1 3.57Å; R8-D98 PolarHBondContact NH2-OD1 3.18Å; R8-D98 IonicContact NH2-OD2 3.97Å; R8-D98 PolarHBondContact NH2-OD2 3.22Å
9E92.6Very high89Confident6 Ų651.3 Ų51.33%0.02826%0.259CS..Hα-helixtrans-64.4-43.9176.6-68.7-84.4-151.700110.8R5 I6 L11 T12 I13 L45 K54R5-E9 VanDerWaalsContact O-CG 3.31Å; R5-E9 WeakPolarHBondContact O-CG 3.47Å; R5-E9 PolarHBondContact O-N 3.34Å; I6-E9 PolarHBondContact O-N 3.3Å; E9-L11 VanDerWaalsContact C-N 3.34Å; E9-L11 PolarHBondContact O-N 2.86Å; E9-T12 PolarHBondContact O-N 2.77Å; E9-I13 WeakPolarHBondContact O-CG1 3.25Å; E9-I13 PolarHBondContact O-N 3.06Å; E9-L45 HydrophobicContact CB-CD1 4.09Å; E9-L45 HydrophobicContact CB-CD2 4.3Å; E9-K54 HydrophobicContact CG-CD 4.38Å; E9-K54 IonicContact OE1-NZ 3.92Å; E9-K54 PolarHBondContact OE1-NZ 2.91Å
10K95.2Very high89.4Confident30 Ų3048.9 Ų48.913%0.1325%0.247CC..Hα-helixtrans-57.6-47.4172.6-71179.8-177.2-174.20111.4S2 I6 S7 T12 I13 K14 F38 Q42 L45 D46S2-K10 PolarHBondContact OG-NZ 3.39Å; I6-K10 WeakPolarHBondContact O-CG 3.48Å; I6-K10 PolarHBondContact O-N 3.21Å; S7-K10 PolarHBondContact O-N 3.42Å; K10-T12 VanDerWaalsContact C-N 3.32Å; K10-T12 PolarHBondContact O-N 3Å; K10-I13 PolarHBondContact O-N 3.08Å; K10-K14 PolarHBondContact O-N 2.95Å; K10-F38 WeakPolarHBondContact O-CE2 3.41Å; K10-Q42 HydrophobicContact CD-CB 4.48Å; K10-Q42 HydrophobicContact CD-CG 4.17Å; K10-Q42 HydrophobicContact CG-CG 4.2Å; K10-L45 HydrophobicContact CB-CD1 4.4Å; K10-L45 HydrophobicContact CG-CB 4.37Å; K10-L45 HydrophobicContact CG-CD1 3.59Å; K10-D46 VanDerWaalsContact CE-OD1 3.26Å; K10-D46 WeakPolarHBondContact CE-OD1 3.35Å; K10-D46 IonicContact NZ-OD1 3.88Å; K10-D46 PolarHBondContact NZ-OD1 2.99Å; K10-D46 IonicContact NZ-OD2 2.75Å; K10-D46 PolarHBondContact NZ-OD2 2.82Å
11L94.3Very high89.7Confident87 Ų8749.5 Ų49.546%0.45525%0.249SC..Hα-helixtrans-61.2-42.3177.5179.662.1000111.8S7 R8 E9 K14 K15 L91S7-L11 PolarHBondContact O-N 3.06Å; R8-L11 PolarHBondContact O-N 3.48Å; E9-L11 VanDerWaalsContact C-N 3.34Å; E9-L11 PolarHBondContact O-N 2.86Å; L11-K14 PolarHBondContact O-N 3.3Å; L11-K15 HydrophobicContact CD1-CG 4.29Å; L11-K15 WeakPolarHBondContact O-CG 3.07Å; L11-K15 PolarHBondContact O-N 3.39Å; L11-L91 HydrophobicContact CG-CD2 4.31Å
12T93.7Very high91.8Very high4 Ų441.1 Ų41.13%0.02522%0.219CC..Hα-helixtrans-61.6-48.4178.6-560000110.9R8 E9 K10 K14 K15 M16 L91 H95R8-T12 WeakPolarHBondContact O-CB 3.44Å; R8-T12 PolarHBondContact O-N 2.88Å; R8-T12 PolarHBondContact O-OG1 3.33Å; E9-T12 PolarHBondContact O-N 2.77Å; K10-T12 VanDerWaalsContact C-N 3.32Å; K10-T12 PolarHBondContact O-N 3Å; T12-K14 PolarHBondContact O-N 2.82Å; T12-K15 PolarHBondContact O-N 3.34Å; T12-M16 HydrophobicContact CG2-CE 3.74Å; T12-M16 HydrophobicContact CG2-SD 4.21Å; T12-M16 WeakPolarHBondContact O-CG 3.48Å; T12-M16 PolarHBondContact O-N 3.21Å; T12-L91 WeakPolarHBondContact OG1-CD1 3.47Å; T12-H95 HydrophobicContact CG2-CB 4.36Å
13I94.4Very high93.2Very high4 Ų445 Ų452%0.02123%0.23CC..Hα-helixtrans-60.6-45.6176.2-67.8176.4000110.6E9 K10 K15 M16 I17 F38 A41 L45 M73E9-I13 WeakPolarHBondContact O-CG1 3.25Å; E9-I13 PolarHBondContact O-N 3.06Å; K10-I13 PolarHBondContact O-N 3.08Å; I13-K15 PolarHBondContact O-N 3.3Å; I13-M16 PolarHBondContact O-N 2.88Å; I13-I17 HydrophobicContact CG2-CD1 3.57Å; I13-I17 HydrophobicContact CG2-CG1 4.18Å; I13-I17 VanDerWaalsContact O-CG1 3.31Å; I13-I17 WeakPolarHBondContact O-CG1 3.3Å; I13-I17 PolarHBondContact O-N 3.02Å; I13-F38 HydrophobicContact CG2-CD2 4.23Å; I13-A41 HydrophobicContact CD1-CB 4.23Å; I13-A41 HydrophobicContact CG2-CB 4.01Å; I13-L45 HydrophobicContact CD1-CD1 3.8Å; I13-M73 HydrophobicContact CG2-CE 4Å; I13-M73 HydrophobicContact CG2-SD 4.14Å
14K96.4Very high93.8Very high50 Ų5044.2 Ų44.222%0.21722%0.22CC..Hα-helixtrans-55.8-51.2177.8-175.349.3174.7163.40111.2K10 L11 T12 M16 I17 D18 E35 F38K10-K14 PolarHBondContact O-N 2.95Å; L11-K14 PolarHBondContact O-N 3.3Å; T12-K14 PolarHBondContact O-N 2.82Å; K14-M16 VanDerWaalsContact C-N 3.33Å; K14-M16 PolarHBondContact O-N 3.17Å; K14-I17 PolarHBondContact O-N 3.1Å; K14-D18 WeakPolarHBondContact CD-OD1 3.49Å; K14-D18 WeakPolarHBondContact CE-OD1 3.49Å; K14-D18 WeakPolarHBondContact CE-OD2 3.49Å; K14-D18 IonicContact NZ-OD1 3.21Å; K14-D18 PolarHBondContact NZ-OD1 3.48Å; K14-D18 IonicContact NZ-OD2 3.51Å; K14-D18 WeakPolarHBondContact O-CB 3.29Å; K14-D18 PolarHBondContact O-N 3.21Å; K14-E35 IonicContact NZ-OE2 3.84Å; K14-E35 PolarHBondContact NZ-OE2 2.99Å; K14-F38 HydrophobicContact CB-CD2 4.02Å; K14-F38 HydrophobicContact CB-CE1 4.41Å; K14-F38 HydrophobicContact CB-CE2 3.49Å; K14-F38 VanDerWaalsContact CB-CE2 3.49Å; K14-F38 HydrophobicContact CB-CZ 3.7Å; K14-F38 HydrophobicContact CD-CD1 3.79Å; K14-F38 HydrophobicContact CD-CD2 4.09Å; K14-F38 HydrophobicContact CD-CE1 3.81Å; K14-F38 HydrophobicContact CD-CE2 4.15Å; K14-F38 HydrophobicContact CD-CG 3.91Å; K14-F38 HydrophobicContact CD-CZ 3.99Å; K14-F38 HydrophobicContact CG-CE1 4.26Å; K14-F38 HydrophobicContact CG-CE2 4.2Å; K14-F38 HydrophobicContact CG-CZ 4.01Å
15K96.2Very high94Very high73 Ų7341 Ų4132%0.31722%0.219SC..Hα-helixtrans-63.4-37179.7-66.9-54-172.7-175.10113.1L11 T12 I13 L19 M84 L91L11-K15 HydrophobicContact CD1-CG 4.29Å; L11-K15 WeakPolarHBondContact O-CG 3.07Å; L11-K15 PolarHBondContact O-N 3.39Å; T12-K15 PolarHBondContact O-N 3.34Å; I13-K15 PolarHBondContact O-N 3.3Å; K15-L19 WeakPolarHBondContact O-CB 3.21Å; K15-L19 PolarHBondContact O-N 2.86Å; K15-M84 HydrophobicContact CB-CE 3.49Å; K15-M84 VanDerWaalsContact CB-CE 3.49Å; K15-M84 HydrophobicContact CB-SD 3.89Å; K15-M84 HydrophobicContact CG-CE 4.41Å; K15-L91 HydrophobicContact CG-CD2 4.28Å
16M95.6Very high94.2Very high12 Ų1247.9 Ų47.96%0.05925%0.252CS..Hα-helixtrans-66-43.9175.2-74.9179.9177.200112T12 I13 K14 L19 Y20 I76 M77 A80 M84T12-M16 HydrophobicContact CG2-CE 3.74Å; T12-M16 HydrophobicContact CG2-SD 4.21Å; T12-M16 WeakPolarHBondContact O-CG 3.48Å; T12-M16 PolarHBondContact O-N 3.21Å; I13-M16 PolarHBondContact O-N 2.88Å; K14-M16 VanDerWaalsContact C-N 3.33Å; K14-M16 PolarHBondContact O-N 3.17Å; M16-L19 PolarHBondContact O-N 2.89Å; M16-Y20 WeakPolarHBondContact O-CB 3.41Å; M16-Y20 PolarHBondContact O-N 3.29Å; M16-I76 HydrophobicContact CB-CG2 4.15Å; M16-M77 HydrophobicContact SD-CG 4.23Å; M16-A80 HydrophobicContact CB-CB 3.93Å; M16-A80 HydrophobicContact CG-CB 4.1Å; M16-A80 WeakPolarHBondContact O-CB 3.49Å; M16-M84 HydrophobicContact CE-CG 4.45Å; M16-M84 HydrophobicContact CG-CG 3.79Å; M16-M84 HydrophobicContact CG-SD 4.32Å
17I96.6Very high94.2Very high0 Ų048.8 Ų48.80%026%0.26CS..Hα-helixtrans-63.1-51.4176.9-69.1172000110.3I13 K14 L19 Y20 Q21 Y34 L37 F38 M73 I76I13-I17 HydrophobicContact CG2-CD1 3.57Å; I13-I17 HydrophobicContact CG2-CG1 4.18Å; I13-I17 VanDerWaalsContact O-CG1 3.31Å; I13-I17 WeakPolarHBondContact O-CG1 3.3Å; I13-I17 PolarHBondContact O-N 3.02Å; K14-I17 PolarHBondContact O-N 3.1Å; I17-L19 VanDerWaalsContact C-N 3.26Å; I17-L19 PolarHBondContact O-N 3.17Å; I17-Y20 WeakPolarHBondContact O-CB 3.24Å; I17-Y20 PolarHBondContact O-N 3.02Å; I17-Y20 VanDerWaalsContact O-N 3.08Å; I17-Q21 WeakPolarHBondContact O-CB 3.43Å; I17-Q21 PolarHBondContact O-N 3.39Å; I17-Y34 HydrophobicContact CG2-CD1 3.94Å; I17-Y34 HydrophobicContact CG2-CG 4.17Å; I17-L37 HydrophobicContact CD1-CD2 4.4Å; I17-L37 HydrophobicContact CD1-CG 4.4Å; I17-F38 HydrophobicContact CD1-CB 3.78Å; I17-F38 HydrophobicContact CD1-CD2 4.23Å; I17-F38 HydrophobicContact CD1-CG 4.47Å; I17-M73 HydrophobicContact CD1-CE 4.17Å; I17-I76 HydrophobicContact CG1-CD1 4.14Å; I17-I76 HydrophobicContact CG1-CG2 4.24Å
18D95.1Very high94.2Very high47 Ų4748.7 Ų48.725%0.25126%0.259SS..Hα-helixtrans-58.3-41.3-179.6-64-18.1000111.1K14 A22K14-D18 WeakPolarHBondContact CD-OD1 3.49Å; K14-D18 WeakPolarHBondContact CE-OD1 3.49Å; K14-D18 WeakPolarHBondContact CE-OD2 3.49Å; K14-D18 IonicContact NZ-OD1 3.21Å; K14-D18 PolarHBondContact NZ-OD1 3.48Å; K14-D18 IonicContact NZ-OD2 3.51Å; K14-D18 WeakPolarHBondContact O-CB 3.29Å; K14-D18 PolarHBondContact O-N 3.21Å; D18-A22 VanDerWaalsContact O-CB 3.24Å; D18-A22 WeakPolarHBondContact O-CB 3.4Å; D18-A22 PolarHBondContact O-N 2.87Å
19L95.1Very high94Very high14 Ų1449.8 Ų49.87%0.07328%0.282CS..Hα-helixtrans-66.3-41.9176.8-179.556.6000112K15 M16 I17 K23 W79 A80 R83 M84 R87K15-L19 WeakPolarHBondContact O-CB 3.21Å; K15-L19 PolarHBondContact O-N 2.86Å; M16-L19 PolarHBondContact O-N 2.89Å; I17-L19 VanDerWaalsContact C-N 3.26Å; I17-L19 PolarHBondContact O-N 3.17Å; L19-K23 HydrophobicContact CD1-CB 4.41Å; L19-K23 HydrophobicContact CD1-CG 4.09Å; L19-K23 WeakPolarHBondContact O-CB 3.38Å; L19-K23 PolarHBondContact O-N 2.87Å; L19-W79 HydrophobicContact CG-CZ3 4.16Å; L19-A80 HydrophobicContact CD2-CB 4.42Å; L19-R83 HydrophobicContact CD2-CB 3.82Å; L19-M84 HydrophobicContact CD2-CG 4.03Å; L19-M84 HydrophobicContact CD2-SD 3.99Å; L19-R87 VanDerWaalsContact CD1-NE 3.29Å
20Y96.3Very high93.9Very high4 Ų454.9 Ų54.92%0.01631%0.306CS..Hα-helixtrans-63.8-52.2178-174.9-88.2000111.1M16 I17 A22 K23 C24 A27 Y34 Q75 I76 W79M16-Y20 WeakPolarHBondContact O-CB 3.41Å; M16-Y20 PolarHBondContact O-N 3.29Å; I17-Y20 WeakPolarHBondContact O-CB 3.24Å; I17-Y20 PolarHBondContact O-N 3.02Å; I17-Y20 VanDerWaalsContact O-N 3.08Å; Y20-A22 VanDerWaalsContact C-N 3.3Å; Y20-A22 PolarHBondContact O-N 3.38Å; Y20-K23 PolarHBondContact O-N 2.98Å; Y20-C24 HydrophobicContact CD1-CB 4.12Å; Y20-C24 HydrophobicContact CD2-CB 3.73Å; Y20-C24 HydrophobicContact CE1-CB 4.08Å; Y20-C24 HydrophobicContact CE2-CB 3.7Å; Y20-C24 WeakPolarHBondContact CE2-SG 3.46Å; Y20-C24 HydrophobicContact CG-CB 3.94Å; Y20-C24 VanDerWaalsContact CZ-SG 3.51Å; Y20-C24 WeakPolarHBondContact O-CA 3.22Å; Y20-C24 WeakPolarHBondContact O-CB 3.34Å; Y20-C24 PolarHBondContact O-N 3.37Å; Y20-A27 HydrophobicContact CD1-CB 4.07Å; Y20-A27 HydrophobicContact CE1-CB 3.89Å; Y20-Y34 AromaticContact CD1-CE1 3.84Å; Y20-Y34 HydrophobicContact CD1-CE1 3.84Å; Y20-Y34 AromaticContact CD1-CZ 3.98Å; Y20-Y34 HydrophobicContact CE1-CE1 4.16Å; Y20-Y34 WeakPolarHBondContact CE1-OH 3.36Å; Y20-Q75 HydrophobicContact CE2-CG 4.3Å; Y20-Q75 PolarHBondContact OH-NE2 2.88Å; Y20-Q75 VanDerWaalsContact OH-NE2 3.1Å; Y20-I76 HydrophobicContact CD1-CD1 4.46Å; Y20-I76 HydrophobicContact CD1-CG1 3.88Å; Y20-I76 HydrophobicContact CD2-CB 4.33Å; Y20-I76 HydrophobicContact CD2-CG1 4.04Å; Y20-I76 HydrophobicContact CE1-CG1 4.22Å; Y20-I76 HydrophobicContact CE2-CG1 4.36Å; Y20-I76 HydrophobicContact CG-CB 4.35Å; Y20-I76 HydrophobicContact CG-CG1 3.79Å; Y20-I76 HydrophobicContact CG-CG2 4.33Å; Y20-W79 HydrophobicContact CD2-CB 3.89Å; Y20-W79 AromaticContact CD2-CD2 3.92Å; Y20-W79 HydrophobicContact CD2-CD2 3.92Å; Y20-W79 AromaticContact CD2-CE3 3.64Å; Y20-W79 HydrophobicContact CD2-CE3 3.64Å; Y20-W79 HydrophobicContact CD2-CG 4.04Å; Y20-W79 HydrophobicContact CD2-CZ3 4.49Å; Y20-W79 HydrophobicContact CE2-CB 3.84Å; Y20-W79 HydrophobicContact CE2-CD2 4.26Å; Y20-W79 HydrophobicContact CE2-CE3 4.42Å; Y20-W79 HydrophobicContact CE2-CG 4.01Å; Y20-W79 HydrophobicContact CG-CE3 4.35Å
21Q95.3Very high93.7Very high62 Ų6256.5 Ų56.529%0.2932%0.319SS..Hα-helixtrans-55.7-44.4178.2179.7-177.812.400112I17 P31 Y34I17-Q21 WeakPolarHBondContact O-CB 3.43Å; I17-Q21 PolarHBondContact O-N 3.39Å; Q21-P31 VanDerWaalsContact NE2-CA 3.29Å; Q21-Y34 HydrophobicContact CB-CD2 3.73Å; Q21-Y34 HydrophobicContact CB-CE2 3.99Å; Q21-Y34 HydrophobicContact CB-CG 4.04Å; Q21-Y34 HydrophobicContact CG-CD2 3.46Å; Q21-Y34 VanDerWaalsContact CG-CD2 3.46Å; Q21-Y34 HydrophobicContact CG-CE2 3.84Å; Q21-Y34 HydrophobicContact CG-CG 4.16Å
22A93.6Very high93.6Very high71 Ų7158.6 Ų58.659%0.58733%0.327SS*.Hα-helixtrans-79.1-19.3-173.400000114.6D18 Y20D18-A22 VanDerWaalsContact O-CB 3.24Å; D18-A22 WeakPolarHBondContact O-CB 3.4Å; D18-A22 PolarHBondContact O-N 2.87Å; Y20-A22 VanDerWaalsContact C-N 3.3Å; Y20-A22 PolarHBondContact O-N 3.38Å
23K93.9Very high93.7Very high128 Ų12862 Ų6256%0.55734%0.343SS*.Hα-helixtrans-139-13.3-165.6-62.3-64.8171.6-163.10115.1L19 Y20 P25 W79L19-K23 HydrophobicContact CD1-CB 4.41Å; L19-K23 HydrophobicContact CD1-CG 4.09Å; L19-K23 WeakPolarHBondContact O-CB 3.38Å; L19-K23 PolarHBondContact O-N 2.87Å; Y20-K23 PolarHBondContact O-N 2.98Å; K23-P25 WeakPolarHBondContact O-CD 3.42Å; K23-W79 VanDerWaalsContact C-CH2 3.41Å; K23-W79 HydrophobicContact CB-CH2 3.61Å; K23-W79 HydrophobicContact CB-CZ3 4.35Å; K23-W79 WeakPolarHBondContact O-CZ2 3.49Å
24C94.3Very high93.8Very high12 Ų1262.2 Ų62.28%0.08134%0.343CS..  trans-81.3122.5175.6-172.50000109.6Y20 Q26 A27 W79Y20-C24 HydrophobicContact CD1-CB 4.12Å; Y20-C24 HydrophobicContact CD2-CB 3.73Å; Y20-C24 HydrophobicContact CE1-CB 4.08Å; Y20-C24 HydrophobicContact CE2-CB 3.7Å; Y20-C24 WeakPolarHBondContact CE2-SG 3.46Å; Y20-C24 HydrophobicContact CG-CB 3.94Å; Y20-C24 VanDerWaalsContact CZ-SG 3.51Å; Y20-C24 WeakPolarHBondContact O-CA 3.22Å; Y20-C24 WeakPolarHBondContact O-CB 3.34Å; Y20-C24 PolarHBondContact O-N 3.37Å; C24-Q26 PolarHBondContact O-N 3.21Å; C24-Q26 VanDerWaalsContact O-N 3.17Å; C24-A27 HydrophobicContact CB-CB 4.19Å; C24-A27 VanDerWaalsContact O-CB 3.25Å; C24-A27 WeakPolarHBondContact O-CB 3.14Å; C24-A27 PolarHBondContact O-N 3.25Å; C24-W79 VanDerWaalsContact CA-CZ2 3.46Å; C24-W79 HydrophobicContact CB-CD2 3.91Å; C24-W79 HydrophobicContact CB-CE3 4.06Å; C24-W79 HydrophobicContact CB-CH2 4Å; C24-W79 HydrophobicContact CB-CZ2 3.81Å; C24-W79 HydrophobicContact CB-CZ3 4.1Å
25P92.3Very high93.8Very high126 Ų12664 Ų6482%0.81835%0.352SS*.THydrogen-bonded Turntrans-62.8-20.7175.9-23.134.3000113.9K23K23-P25 WeakPolarHBondContact O-CD 3.42Å
26Q91.3Very high93.8Very high152 Ų15263.1 Ų63.171%0.7136%0.359SS*.THydrogen-bonded Turntrans-9510.5176.5-55.9-166.28.800112.7C24C24-Q26 PolarHBondContact O-N 3.21Å; C24-Q26 VanDerWaalsContact O-N 3.17Å
27A92.5Very high93.9Very high24 Ų2462.8 Ų62.820%0.19836%0.357CS..SBendtrans-70.2145.9171.800000110.5Y20 C24 Y34Y20-A27 HydrophobicContact CD1-CB 4.07Å; Y20-A27 HydrophobicContact CE1-CB 3.89Å; C24-A27 HydrophobicContact CB-CB 4.19Å; C24-A27 VanDerWaalsContact O-CB 3.25Å; C24-A27 WeakPolarHBondContact O-CB 3.14Å; C24-A27 PolarHBondContact O-N 3.25Å; A27-Y34 WeakPolarHBondContact CA-OH 3.4Å; A27-Y34 HydrophobicContact CB-CE2 4.24Å; A27-Y34 WeakPolarHBondContact CB-OH 3.39Å
28S90.7Very high93.9Very high53 Ų5363.7 Ų63.737%0.37136%0.361SS..  trans-64147.3168.2-176.20000109.8E30 Y34S28-E30 PolarHBondContact O-N 3.47Å; S28-E30 PolarHBondContact OG-N 2.75Å; S28-Y34 PolarHBondContact N-OH 3.43Å; S28-Y34 WeakPolarHBondContact O-CE2 3.22Å
29A88.2Confident94.1Very high87 Ų8763.7 Ų63.772%0.71936%0.363SS*.SBendtrans-71.7-18.5173.900000112.6P31A29-P31 WeakPolarHBondContact O-CD 3.4Å
30E91.6Very high94.2Very high113 Ų11364.6 Ų64.653%0.52837%0.365SS..  trans-78.7109.2-174.1-56.3-54.7120.100112.1S28 E32 H33S28-E30 PolarHBondContact O-N 3.47Å; S28-E30 PolarHBondContact OG-N 2.75Å; E30-E32 VanDerWaalsContact C-N 3.35Å; E30-E32 PolarHBondContact O-N 3.48Å; E30-H33 HydrophobicContact CB-CB 4.07Å; E30-H33 WeakPolarHBondContact O-CB 3.43Å; E30-H33 PolarHBondContact O-N 2.85Å
31P89.6Confident94.2Very high64 Ų6464.5 Ų64.542%0.41637%0.365SS..Hα-helixtrans-68.2-33.1-179.5-2236.9000113.9Q21 A29 H33 Y34 E35Q21-P31 VanDerWaalsContact NE2-CA 3.29Å; A29-P31 WeakPolarHBondContact O-CD 3.4Å; P31-H33 PolarHBondContact O-N 3.5Å; P31-Y34 PolarHBondContact O-N 2.86Å; P31-E35 PolarHBondContact O-N 3.22Å
32E94.1Very high94.2Very high130 Ų13064.1 Ų64.161%0.60736%0.364SS*.Hα-helixtrans-62.6-30.6-178.8-63.569.9-150.600111.3E30 E35 A36E30-E32 VanDerWaalsContact C-N 3.35Å; E30-E32 PolarHBondContact O-N 3.48Å; E32-E35 PolarHBondContact O-N 2.76Å; E32-A36 VanDerWaalsContact O-CB 3.25Å; E32-A36 WeakPolarHBondContact O-CB 3.23Å; E32-A36 PolarHBondContact O-N 3.4Å
33H95.3Very high94.3Very high77 Ų7767.1 Ų67.136%0.35636%0.363SS..Hα-helixtrans-62.3-47177.4175.469.7000112E30 P31 A36 L37 E72E30-H33 HydrophobicContact CB-CB 4.07Å; E30-H33 WeakPolarHBondContact O-CB 3.43Å; E30-H33 PolarHBondContact O-N 2.85Å; P31-H33 PolarHBondContact O-N 3.5Å; H33-A36 PolarHBondContact O-N 2.91Å; H33-L37 WeakPolarHBondContact O-CB 3.41Å; H33-L37 PolarHBondContact O-N 3.36Å; H33-E72 IonicContact CD2-OE1 3.44Å; H33-E72 IonicContact CE1-OE1 2.61Å; H33-E72 PolarHBondContact CE1-OE1 3.26Å; H33-E72 IonicContact CE1-OE2 3.64Å; H33-E72 IonicContact NE2-OE1 2.76Å; H33-E72 PolarHBondContact NE2-OE1 3.49Å; H33-E72 IonicContact NE2-OE2 3.62Å
34Y96.2Very high94.4Very high7 Ų765.6 Ų65.63%0.02735%0.354CS..Hα-helixtrans-71-35.8179.1-71.1-63.5000112.8I17 Y20 Q21 A27 S28 P31 L37 F38 I76I17-Y34 HydrophobicContact CG2-CD1 3.94Å; I17-Y34 HydrophobicContact CG2-CG 4.17Å; Y20-Y34 AromaticContact CD1-CE1 3.84Å; Y20-Y34 HydrophobicContact CD1-CE1 3.84Å; Y20-Y34 AromaticContact CD1-CZ 3.98Å; Y20-Y34 HydrophobicContact CE1-CE1 4.16Å; Y20-Y34 WeakPolarHBondContact CE1-OH 3.36Å; Q21-Y34 HydrophobicContact CB-CD2 3.73Å; Q21-Y34 HydrophobicContact CB-CE2 3.99Å; Q21-Y34 HydrophobicContact CB-CG 4.04Å; Q21-Y34 HydrophobicContact CG-CD2 3.46Å; Q21-Y34 VanDerWaalsContact CG-CD2 3.46Å; Q21-Y34 HydrophobicContact CG-CE2 3.84Å; Q21-Y34 HydrophobicContact CG-CG 4.16Å; A27-Y34 WeakPolarHBondContact CA-OH 3.4Å; A27-Y34 HydrophobicContact CB-CE2 4.24Å; A27-Y34 WeakPolarHBondContact CB-OH 3.39Å; S28-Y34 PolarHBondContact N-OH 3.43Å; S28-Y34 WeakPolarHBondContact O-CE2 3.22Å; P31-Y34 PolarHBondContact O-N 2.86Å; Y34-L37 PolarHBondContact O-N 3.29Å; Y34-F38 WeakPolarHBondContact O-CB 3.35Å; Y34-F38 PolarHBondContact O-N 2.89Å; Y34-I76 HydrophobicContact CD1-CD1 4.35Å; Y34-I76 HydrophobicContact CE1-CD1 4.17Å
35E96Very high94.4Very high87 Ų8765.6 Ų65.641%0.40735%0.353SS..Hα-helixtrans-65.8-43173.8-171.455.7-149.700110.8K14 P31 E32 L37 F38 V39K14-E35 IonicContact NZ-OE2 3.84Å; K14-E35 PolarHBondContact NZ-OE2 2.99Å; P31-E35 PolarHBondContact O-N 3.22Å; E32-E35 PolarHBondContact O-N 2.76Å; E35-L37 VanDerWaalsContact C-N 3.32Å; E35-L37 PolarHBondContact O-N 3.48Å; E35-F38 PolarHBondContact O-N 3.39Å; E35-V39 WeakPolarHBondContact O-CG2 3.35Å; E35-V39 PolarHBondContact O-N 2.7Å
36A96.7Very high94.5Very high56 Ų5663.5 Ų63.546%0.46334%0.335SS..Hα-helixtrans-62.1-38174.300000112.5E32 H33 Y40E32-A36 VanDerWaalsContact O-CB 3.25Å; E32-A36 WeakPolarHBondContact O-CB 3.23Å; E32-A36 PolarHBondContact O-N 3.4Å; H33-A36 PolarHBondContact O-N 2.91Å; A36-Y40 VanDerWaalsContact O-CB 3.28Å; A36-Y40 WeakPolarHBondContact O-CB 3.49Å; A36-Y40 PolarHBondContact O-N 2.96Å
37L97.2Very high94.5Very high4 Ų464.3 Ų64.32%0.02134%0.336CS..Hα-helixtrans-64.5-42.8174.1-176.665.9000111.6I17 H33 Y34 E35 Y40 A41 K69 E72 M73 I76I17-L37 HydrophobicContact CD1-CD2 4.4Å; I17-L37 HydrophobicContact CD1-CG 4.4Å; H33-L37 WeakPolarHBondContact O-CB 3.41Å; H33-L37 PolarHBondContact O-N 3.36Å; Y34-L37 PolarHBondContact O-N 3.29Å; E35-L37 VanDerWaalsContact C-N 3.32Å; E35-L37 PolarHBondContact O-N 3.48Å; L37-Y40 WeakPolarHBondContact O-CB 3.44Å; L37-Y40 PolarHBondContact O-N 3.25Å; L37-A41 WeakPolarHBondContact O-CB 3.49Å; L37-A41 PolarHBondContact O-N 2.98Å; L37-K69 HydrophobicContact CD1-CB 4.34Å; L37-E72 HydrophobicContact CD2-CG 4.15Å; L37-M73 HydrophobicContact CD1-CE 4.13Å; L37-M73 HydrophobicContact CD2-CE 4.06Å; L37-M73 HydrophobicContact CG-CE 3.88Å; L37-I76 HydrophobicContact CD2-CD1 3.36Å
38F97.7Very high94.5Very high19 Ų1964.7 Ų64.78%0.08334%0.337CS..Hα-helixtrans-63.8-50176.7176.4-120.9000111.9K10 I13 K14 I17 Y34 E35 Y40 A41 Q42K10-F38 WeakPolarHBondContact O-CE2 3.41Å; I13-F38 HydrophobicContact CG2-CD2 4.23Å; K14-F38 HydrophobicContact CB-CD2 4.02Å; K14-F38 HydrophobicContact CB-CE1 4.41Å; K14-F38 HydrophobicContact CB-CE2 3.49Å; K14-F38 VanDerWaalsContact CB-CE2 3.49Å; K14-F38 HydrophobicContact CB-CZ 3.7Å; K14-F38 HydrophobicContact CD-CD1 3.79Å; K14-F38 HydrophobicContact CD-CD2 4.09Å; K14-F38 HydrophobicContact CD-CE1 3.81Å; K14-F38 HydrophobicContact CD-CE2 4.15Å; K14-F38 HydrophobicContact CD-CG 3.91Å; K14-F38 HydrophobicContact CD-CZ 3.99Å; K14-F38 HydrophobicContact CG-CE1 4.26Å; K14-F38 HydrophobicContact CG-CE2 4.2Å; K14-F38 HydrophobicContact CG-CZ 4.01Å; I17-F38 HydrophobicContact CD1-CB 3.78Å; I17-F38 HydrophobicContact CD1-CD2 4.23Å; I17-F38 HydrophobicContact CD1-CG 4.47Å; Y34-F38 WeakPolarHBondContact O-CB 3.35Å; Y34-F38 PolarHBondContact O-N 2.89Å; E35-F38 PolarHBondContact O-N 3.39Å; F38-Y40 PolarHBondContact O-N 3.22Å; F38-A41 WeakPolarHBondContact O-CB 3.14Å; F38-A41 PolarHBondContact O-N 2.87Å; F38-Q42 HydrophobicContact CD1-CG 4.46Å; F38-Q42 HydrophobicContact CD2-CG 4.14Å; F38-Q42 HydrophobicContact CE1-CG 4.03Å; F38-Q42 HydrophobicContact CE2-CG 3.63Å; F38-Q42 HydrophobicContact CZ-CG 3.59Å; F38-Q42 VanDerWaalsContact CZ-NE2 3.29Å; F38-Q42 WeakPolarHBondContact O-CG 3.48Å; F38-Q42 PolarHBondContact O-N 3.42Å
39V97.6Very high94.5Very high48 Ų4863.8 Ų63.829%0.29133%0.33SS..Hα-helixtrans-57.8-40.1176.3170.40000111E35 Q42 K43E35-V39 WeakPolarHBondContact O-CG2 3.35Å; E35-V39 PolarHBondContact O-N 2.7Å; V39-Q42 PolarHBondContact O-N 3.32Å; V39-K43 HydrophobicContact CG1-CD 4.3Å; V39-K43 WeakPolarHBondContact O-CG 3.35Å; V39-K43 PolarHBondContact O-N 2.75Å
40Y97.4Very high94.6Very high33 Ų3360.6 Ų60.613%0.12930%0.299CS..Hα-helixtrans-60.3-50.3173.3175.2-97.9000111.6A36 L37 F38 Q42 K43 R44 Y65 Q66 K69A36-Y40 VanDerWaalsContact O-CB 3.28Å; A36-Y40 WeakPolarHBondContact O-CB 3.49Å; A36-Y40 PolarHBondContact O-N 2.96Å; L37-Y40 WeakPolarHBondContact O-CB 3.44Å; L37-Y40 PolarHBondContact O-N 3.25Å; F38-Y40 PolarHBondContact O-N 3.22Å; Y40-Q42 VanDerWaalsContact C-N 3.32Å; Y40-Q42 PolarHBondContact O-N 2.91Å; Y40-K43 PolarHBondContact O-N 2.65Å; Y40-R44 HydrophobicContact CD1-CG 4.3Å; Y40-R44 HydrophobicContact CE1-CG 3.87Å; Y40-R44 HydrophobicContact CE2-CG 4.19Å; Y40-R44 WeakPolarHBondContact O-CG 3.42Å; Y40-R44 PolarHBondContact O-N 3.01Å; Y40-Y65 AromaticContact CE1-CD1 3.87Å; Y40-Y65 HydrophobicContact CE1-CD1 3.87Å; Y40-Y65 HydrophobicContact CE1-CD2 4.17Å; Y40-Y65 HydrophobicContact CE1-CE1 4.22Å; Y40-Y65 HydrophobicContact CE1-CE2 4.47Å; Y40-Y65 AromaticContact CE1-CG 3.88Å; Y40-Y65 HydrophobicContact CE1-CG 3.88Å; Y40-Y65 WeakPolarHBondContact OH-CA 3.5Å; Y40-Q66 PolarHBondContact OH-N 2.98Å; Y40-Q66 VanDerWaalsContact OH-N 3.09Å; Y40-K69 HydrophobicContact CD1-CB 4.35Å; Y40-K69 HydrophobicContact CD1-CD 3.49Å; Y40-K69 VanDerWaalsContact CD1-CD 3.49Å; Y40-K69 HydrophobicContact CD2-CD 3.84Å; Y40-K69 HydrophobicContact CE1-CB 3.94Å; Y40-K69 HydrophobicContact CE1-CD 3.47Å; Y40-K69 VanDerWaalsContact CE1-CD 3.47Å; Y40-K69 HydrophobicContact CE1-CG 4.33Å; Y40-K69 HydrophobicContact CE2-CD 3.81Å; Y40-K69 HydrophobicContact CG-CD 3.67Å
41A96.4Very high94.5Very high1 Ų156.5 Ų56.51%0.00829%0.287CS..Hα-helixtrans-59.7-41.9179.100000112.2I13 L37 F38 R44 L45 Y65 M73I13-A41 HydrophobicContact CD1-CB 4.23Å; I13-A41 HydrophobicContact CG2-CB 4.01Å; L37-A41 WeakPolarHBondContact O-CB 3.49Å; L37-A41 PolarHBondContact O-N 2.98Å; F38-A41 WeakPolarHBondContact O-CB 3.14Å; F38-A41 PolarHBondContact O-N 2.87Å; A41-R44 PolarHBondContact O-N 2.75Å; A41-L45 WeakPolarHBondContact O-CG 3.31Å; A41-L45 PolarHBondContact O-N 3.29Å; A41-Y65 WeakPolarHBondContact CA-OH 3.44Å; A41-Y65 VanDerWaalsContact CB-OH 3.27Å; A41-Y65 WeakPolarHBondContact CB-OH 3.43Å; A41-M73 HydrophobicContact CB-CE 4.05Å
42Q96.3Very high94.5Very high55 Ų5556.2 Ų56.226%0.25728%0.281SS..Hα-helixtrans-58.9-51175-70.9-179.6-61.300111.6K10 F38 V39 Y40 R44 L45 D46K10-Q42 HydrophobicContact CD-CB 4.48Å; K10-Q42 HydrophobicContact CD-CG 4.17Å; K10-Q42 HydrophobicContact CG-CG 4.2Å; F38-Q42 HydrophobicContact CD1-CG 4.46Å; F38-Q42 HydrophobicContact CD2-CG 4.14Å; F38-Q42 HydrophobicContact CE1-CG 4.03Å; F38-Q42 HydrophobicContact CE2-CG 3.63Å; F38-Q42 HydrophobicContact CZ-CG 3.59Å; F38-Q42 VanDerWaalsContact CZ-NE2 3.29Å; F38-Q42 WeakPolarHBondContact O-CG 3.48Å; F38-Q42 PolarHBondContact O-N 3.42Å; V39-Q42 PolarHBondContact O-N 3.32Å; Y40-Q42 VanDerWaalsContact C-N 3.32Å; Y40-Q42 PolarHBondContact O-N 2.91Å; Q42-R44 PolarHBondContact O-N 2.87Å; Q42-L45 PolarHBondContact O-N 3.06Å; Q42-L45 VanDerWaalsContact O-N 3.09Å; Q42-D46 PolarHBondContact O-N 3.44Å
43K95.9Very high94.3Very high133 Ų13355.9 Ų55.958%0.57828%0.279SS*.Hα-helixtrans-57.9-36.6178-73.9175.1-179.7176.60112.2V39 Y40 K47V39-K43 HydrophobicContact CG1-CD 4.3Å; V39-K43 WeakPolarHBondContact O-CG 3.35Å; V39-K43 PolarHBondContact O-N 2.75Å; Y40-K43 PolarHBondContact O-N 2.65Å; K43-K47 PolarHBondContact O-N 3Å
44R95.4Very high94Very high96 Ų9652.6 Ų52.636%0.36226%0.264SS..Hα-helixtrans-71.4-38.7176.3-65.4-50.8-56.6-165-0.4112.5Y40 A41 Q42 K47 C48 C64 Y65Y40-R44 HydrophobicContact CD1-CG 4.3Å; Y40-R44 HydrophobicContact CE1-CG 3.87Å; Y40-R44 HydrophobicContact CE2-CG 4.19Å; Y40-R44 WeakPolarHBondContact O-CG 3.42Å; Y40-R44 PolarHBondContact O-N 3.01Å; A41-R44 PolarHBondContact O-N 2.75Å; Q42-R44 PolarHBondContact O-N 2.87Å; R44-K47 CarbonylContact O-C 3.5Å; R44-K47 PolarHBondContact O-N 3.27Å; R44-C48 PolarHBondContact O-N 2.85Å; R44-C64 PolarHBondContact NE-O 3.15Å; R44-C64 PolarHBondContact NH2-O 3.33Å; R44-Y65 HydrophobicContact CB-CD1 4.17Å; R44-Y65 HydrophobicContact CB-CE1 3.58Å; R44-Y65 HydrophobicContact CG-CD1 3.86Å; R44-Y65 HydrophobicContact CG-CE1 3.68Å
45L94.4Very high93.7Very high12 Ų1252.3 Ų52.36%0.06326%0.263CS..Hα-helixtrans-67-38.7175.7-78.3172.8000112I6 E9 K10 I13 A41 Q42 K47 C48 K54I6-L45 HydrophobicContact CD1-CD2 4.1Å; I6-L45 HydrophobicContact CG2-CB 4.12Å; E9-L45 HydrophobicContact CB-CD1 4.09Å; E9-L45 HydrophobicContact CB-CD2 4.3Å; K10-L45 HydrophobicContact CB-CD1 4.4Å; K10-L45 HydrophobicContact CG-CB 4.37Å; K10-L45 HydrophobicContact CG-CD1 3.59Å; I13-L45 HydrophobicContact CD1-CD1 3.8Å; A41-L45 WeakPolarHBondContact O-CG 3.31Å; A41-L45 PolarHBondContact O-N 3.29Å; Q42-L45 PolarHBondContact O-N 3.06Å; Q42-L45 VanDerWaalsContact O-N 3.09Å; L45-K47 PolarHBondContact O-N 3.45Å; L45-C48 WeakPolarHBondContact O-CB 3.11Å; L45-C48 PolarHBondContact O-N 3.22Å; L45-C48 VanDerWaalsContact O-N 3.11Å; L45-K54 HydrophobicContact CD2-CD 4.07Å
46D94Very high93.3Very high83 Ų8348.2 Ų48.244%0.44424%0.244SC..Hα-helixtrans-64.3-26175.9-75.4-38.1000113.6S2 K10 Q42S2-D46 PolarHBondContact OG-OD1 3.21Å; K10-D46 VanDerWaalsContact CE-OD1 3.26Å; K10-D46 WeakPolarHBondContact CE-OD1 3.35Å; K10-D46 IonicContact NZ-OD1 3.88Å; K10-D46 PolarHBondContact NZ-OD1 2.99Å; K10-D46 IonicContact NZ-OD2 2.75Å; K10-D46 PolarHBondContact NZ-OD2 2.82Å; Q42-D46 PolarHBondContact O-N 3.44Å
47K92.2Very high92.9Very high168 Ų16848.1 Ų48.173%0.7324%0.239SC*.THydrogen-bonded Turntrans-103.619.5176.5-61.4-176.3179.2-1730112.4K43 R44 L45 V49K43-K47 PolarHBondContact O-N 3Å; R44-K47 CarbonylContact O-C 3.5Å; R44-K47 PolarHBondContact O-N 3.27Å; L45-K47 PolarHBondContact O-N 3.45Å; K47-V49 PolarHBondContact O-N 3.44Å
48C92.2Very high92.3Very high33 Ų3354.8 Ų54.822%0.22327%0.268CS..  trans-63125.3-179.2-173.40000110.2I6 R44 L45 F50 G51I6-C48 HydrophobicContact CD1-CB 4.29Å; R44-C48 PolarHBondContact O-N 2.85Å; L45-C48 WeakPolarHBondContact O-CB 3.11Å; L45-C48 PolarHBondContact O-N 3.22Å; L45-C48 VanDerWaalsContact O-N 3.11Å; C48-F50 PolarHBondContact O-N 2.93Å; C48-G51 PolarHBondContact O-N 2.76Å
49V90.2Very high91.8Very high34 Ų3458.3 Ų58.321%0.20629%0.285CS..THydrogen-bonded Turntrans-63.5-27.2-178.5-50.80000112.8K47 V62 P107 Y110K47-V49 PolarHBondContact O-N 3.44Å; V49-V62 HydrophobicContact CG2-CG2 3.88Å; V49-P107 HydrophobicContact CB-CG 4.45Å; V49-P107 VanDerWaalsContact O-CG 3.3Å; V49-P107 WeakPolarHBondContact O-CG 3.3Å; V49-Y110 HydrophobicContact CB-CD2 3.93Å; V49-Y110 HydrophobicContact CB-CE2 3.65Å; V49-Y110 HydrophobicContact CB-CG 4.47Å; V49-Y110 HydrophobicContact CG1-CD1 4.07Å; V49-Y110 HydrophobicContact CG1-CD2 4.04Å; V49-Y110 HydrophobicContact CG1-CE1 3.58Å; V49-Y110 HydrophobicContact CG1-CE2 3.54Å; V49-Y110 HydrophobicContact CG1-CG 4.28Å
50F90.6Very high91.5Very high19 Ų1957.8 Ų57.88%0.08328%0.283CS..THydrogen-bonded Turntrans-91.4-9.8178.8-59.7-71.7000113C48 E52 E53 K54 P55 P61 V62 P104 L106C48-F50 PolarHBondContact O-N 2.93Å; F50-E52 PolarHBondContact O-N 3.21Å; F50-E53 PolarHBondContact O-N 3.1Å; F50-K54 VanDerWaalsContact CB-CA 3.4Å; F50-K54 HydrophobicContact CB-CB 3.85Å; F50-P55 HydrophobicContact CD2-CG 4.47Å; F50-P55 HydrophobicContact CE2-CG 4.35Å; F50-P61 HydrophobicContact CE2-CG 4.39Å; F50-P61 HydrophobicContact CZ-CG 3.87Å; F50-V62 HydrophobicContact CE2-CG2 3.75Å; F50-V62 HydrophobicContact CZ-CG2 4.08Å; F50-P104 HydrophobicContact CD1-CG 3.52Å; F50-P104 HydrophobicContact CE1-CG 3.83Å; F50-P104 HydrophobicContact CG-CG 4.24Å; F50-L106 HydrophobicContact CE1-CD2 3.87Å; F50-L106 HydrophobicContact CE1-CG 4.42Å; F50-L106 HydrophobicContact CE2-CD2 4.35Å; F50-L106 HydrophobicContact CZ-CD2 3.45Å; F50-L106 VanDerWaalsContact CZ-CD2 3.45Å; F50-L106 HydrophobicContact CZ-CG 4.26Å
51G89.9Confident91Very high27 Ų2759.1 Ų59.128%0.27830%0.296SS..G310 helixtrans50.2-129.9-175.100000113C48 E53 K54C48-G51 PolarHBondContact O-N 2.76Å; G51-E53 PolarHBondContact O-N 2.91Å; G51-K54 WeakPolarHBondContact O-CB 3.48Å; G51-K54 PolarHBondContact O-N 3.08Å
52E89.5Confident90.7Very high59 Ų5960.9 Ų60.928%0.27631%0.306SS..G310 helixtrans-66.8-19.5180-64.8-64.9118.200113.7G3 K4 R5 I6 F50 K54G3-E52 VanDerWaalsContact C-CD 3.5Å; G3-E52 VanDerWaalsContact C-OE1 3.27Å; G3-E52 VanDerWaalsContact C-OE2 3.23Å; G3-E52 WeakPolarHBondContact CA-OE1 3.37Å; G3-E52 WeakPolarHBondContact CA-OE2 3.44Å; G3-E52 PolarHBondContact N-OE1 3.19Å; K4-E52 PolarHBondContact N-OE2 3.24Å; R5-E52 WeakPolarHBondContact CA-OE2 3.37Å; R5-E52 WeakPolarHBondContact CB-OE2 3.41Å; R5-E52 WeakPolarHBondContact CD-O 3.46Å; R5-E52 PolarHBondContact N-OE2 3.38Å; R5-E52 PolarHBondContact NH1-O 3.27Å; I6-E52 VanDerWaalsContact CB-OE1 3.27Å; I6-E52 WeakPolarHBondContact CB-OE1 3.03Å; I6-E52 WeakPolarHBondContact CG1-OE1 3.31Å; I6-E52 PolarHBondContact N-OE1 3.1Å; I6-E52 VanDerWaalsContact N-OE1 3.14Å; F50-E52 PolarHBondContact O-N 3.21Å; E52-K54 VanDerWaalsContact C-N 3.3Å; E52-K54 PolarHBondContact O-N 3.41Å
53E88.5Confident90.3Very high123 Ų12365.5 Ų65.558%0.57533%0.327SS*.G310 helixtrans-88.44.4178.5-64.6-52.9121.600112.7F50 G51 P104F50-E53 PolarHBondContact O-N 3.1Å; G51-E53 PolarHBondContact O-N 2.91Å; E53-P104 WeakPolarHBondContact O-CG 3.38Å
54K89.3Confident90Very high7 Ų761.3 Ų61.33%0.0331%0.314CS..  trans-48.1139.2-177.766170.7-74.3-62.10113.5R5 I6 E9 L45 F50 G51 E52 C57R5-K54 PolarHBondContact NH1-O 3.19Å; R5-K54 PolarHBondContact NH2-O 2.77Å; I6-K54 HydrophobicContact CD1-CD 3.61Å; I6-K54 HydrophobicContact CD1-CG 4.31Å; E9-K54 HydrophobicContact CG-CD 4.38Å; E9-K54 IonicContact OE1-NZ 3.92Å; E9-K54 PolarHBondContact OE1-NZ 2.91Å; L45-K54 HydrophobicContact CD2-CD 4.07Å; F50-K54 VanDerWaalsContact CB-CA 3.4Å; F50-K54 HydrophobicContact CB-CB 3.85Å; G51-K54 WeakPolarHBondContact O-CB 3.48Å; G51-K54 PolarHBondContact O-N 3.08Å; E52-K54 VanDerWaalsContact C-N 3.3Å; E52-K54 PolarHBondContact O-N 3.41Å; K54-C57 PolarHBondContact NZ-SG 2.95Å
55P90Very high89.9Confident1 Ų157.9 Ų57.91%0.00630%0.302CS..  trans-70.5179.216929.7-32.7000111F50 C57 C60 V103F50-P55 HydrophobicContact CD2-CG 4.47Å; F50-P55 HydrophobicContact CE2-CG 4.35Å; P55-C57 PolarHBondContact O-N 3.5Å; P55-C60 HydrophobicContact CG-CB 4.15Å; P55-V103 HydrophobicContact CB-CB 4.47Å; P55-V103 HydrophobicContact CB-CG2 4Å; P55-V103 HydrophobicContact CG-CG1 4.39Å; P55-V103 HydrophobicContact CG-CG2 4.3Å
56A88.7Confident89.9Confident1 Ų162.6 Ų62.61%0.00832%0.323CS..  trans-52.1137.3163.700000109.8K58 Q59 C60 D99A56-K58 HydrophobicContact CB-CD 4.4Å; A56-K58 HydrophobicContact CB-CG 4.03Å; A56-K58 PolarHBondContact O-N 2.89Å; A56-K58 VanDerWaalsContact O-N 3.07Å; A56-Q59 HydrophobicContact CB-CB 4.48Å; A56-Q59 PolarHBondContact O-N 3.33Å; A56-C60 PolarHBondContact O-N 3.3Å; A56-C60 VanDerWaalsContact O-N 3.15Å; A56-D99 HydrophobicContact CB-CB 4.4Å; A56-D99 WeakPolarHBondContact CB-OD1 3.28Å
57C87.1Confident89.9Confident55 Ų5563.9 Ų63.937%0.37234%0.336SS..G310 helixtrans-58-29.2-179.3-69.30000112.3K54 P55 Q59K54-C57 PolarHBondContact NZ-SG 2.95Å; P55-C57 PolarHBondContact O-N 3.5Å; C57-Q59 VanDerWaalsContact C-N 3.34Å
58K85.9Confident90Very high144 Ų14459.6 Ų59.663%0.62633%0.332SS*.G310 helixtrans-69.5-26.2178.179.2-162.6178.6-167.20114.1A56 D99A56-K58 HydrophobicContact CB-CD 4.4Å; A56-K58 HydrophobicContact CB-CG 4.03Å; A56-K58 PolarHBondContact O-N 2.89Å; A56-K58 VanDerWaalsContact O-N 3.07Å; K58-D99 IonicContact NZ-OD2 3.62Å; K58-D99 PolarHBondContact NZ-OD2 3.09Å
59Q87.2Confident90.2Very high93 Ų9360.9 Ų60.944%0.43533%0.334SS..G310 helixtrans-107.72.4-178-72.9164.6-2600112.3A56 C57 D99 V103A56-Q59 HydrophobicContact CB-CB 4.48Å; A56-Q59 PolarHBondContact O-N 3.33Å; C57-Q59 VanDerWaalsContact C-N 3.34Å; Q59-D99 PolarHBondContact OE1-O 2.9Å; Q59-V103 HydrophobicContact CB-CG2 4.16Å; Q59-V103 VanDerWaalsContact O-CG2 3.26Å; Q59-V103 WeakPolarHBondContact O-CG2 3.43Å
60C90.2Very high90.4Very high36 Ų3662.6 Ų62.624%0.24334%0.337CS..  trans-67.6126.3-176.8-173.50000110.6P55 A56 V62P55-C60 HydrophobicContact CG-CB 4.15Å; A56-C60 PolarHBondContact O-N 3.3Å; A56-C60 VanDerWaalsContact O-N 3.15Å; C60-V62 PolarHBondContact O-N 3Å
61P88.1Confident90.5Very high62 Ų6266.1 Ų66.140%0.40335%0.353SS..SBendtrans-74.3-10.1178.831-36.2000112.6F50 V103 L106F50-P61 HydrophobicContact CE2-CG 4.39Å; F50-P61 HydrophobicContact CZ-CG 3.87Å; P61-V103 HydrophobicContact CG-CG1 3.79Å; P61-L106 HydrophobicContact CG-CD2 4.25Å; P61-L106 HydrophobicContact CG-CG 4.44Å
62V89.1Confident90.8Very high38 Ų3866.6 Ų66.623%0.2335%0.348CS..SBendtrans-94.1122.2-176.9-178.10000110.5V49 F50 C60 C64 L106V49-V62 HydrophobicContact CG2-CG2 3.88Å; F50-V62 HydrophobicContact CE2-CG2 3.75Å; F50-V62 HydrophobicContact CZ-CG2 4.08Å; C60-V62 PolarHBondContact O-N 3Å; V62-C64 VanDerWaalsContact C-N 3.33Å; V62-C64 PolarHBondContact O-N 3.07Å; V62-L106 HydrophobicContact CG2-CD2 3.61Å
63H87.8Confident91.1Very high151 Ų15164 Ų6470%0.69934%0.336SS*.  trans-74.283174-68.1-95.5000111.3R70H63-R70 VanDerWaalsContact CB-NH2 3.31Å; H63-R70 PolarHBondContact ND1-NH1 3.19Å; H63-R70 PolarHBondContact ND1-NH2 3.45Å; H63-R70 VanDerWaalsContact ND1-NH2 3.18Å
64C90.8Very high91.4Very high45 Ų4562.8 Ų62.830%0.30433%0.329SS..  trans-88.2-34.4-173.867.60000114.3R44 V62R44-C64 PolarHBondContact NE-O 3.15Å; R44-C64 PolarHBondContact NH2-O 3.33Å; V62-C64 VanDerWaalsContact C-N 3.33Å; V62-C64 PolarHBondContact O-N 3.07Å
65Y92.4Very high91.7Very high25 Ų2565.8 Ų65.810%0.09834%0.343CS..SBendtrans-94.2142.7-178.5-76.217.7000110.7Y40 A41 R44 R70 M73Y40-Y65 AromaticContact CE1-CD1 3.87Å; Y40-Y65 HydrophobicContact CE1-CD1 3.87Å; Y40-Y65 HydrophobicContact CE1-CD2 4.17Å; Y40-Y65 HydrophobicContact CE1-CE1 4.22Å; Y40-Y65 HydrophobicContact CE1-CE2 4.47Å; Y40-Y65 AromaticContact CE1-CG 3.88Å; Y40-Y65 HydrophobicContact CE1-CG 3.88Å; Y40-Y65 WeakPolarHBondContact OH-CA 3.5Å; A41-Y65 WeakPolarHBondContact CA-OH 3.44Å; A41-Y65 VanDerWaalsContact CB-OH 3.27Å; A41-Y65 WeakPolarHBondContact CB-OH 3.43Å; R44-Y65 HydrophobicContact CB-CD1 4.17Å; R44-Y65 HydrophobicContact CB-CE1 3.58Å; R44-Y65 HydrophobicContact CG-CD1 3.86Å; R44-Y65 HydrophobicContact CG-CE1 3.68Å; Y65-R70 PolarHBondContact O-NH2 2.92Å; Y65-M73 HydrophobicContact CD2-CB 4.25Å; Y65-M73 HydrophobicContact CE2-CB 3.97Å; Y65-M73 HydrophobicContact CE2-CE 4.15Å; Y65-M73 HydrophobicContact CE2-CG 3.92Å
66Q94.5Very high92Very high110 Ų11065.8 Ų65.851%0.51434%0.343SS..  trans-55.1143.3164.8-73.1175-8.700109.5Y40 A68 K69 R70Y40-Q66 PolarHBondContact OH-N 2.98Å; Y40-Q66 VanDerWaalsContact OH-N 3.09Å; Q66-A68 VanDerWaalsContact C-N 3.33Å; Q66-A68 PolarHBondContact O-N 3.44Å; Q66-K69 HydrophobicContact CB-CG 4.48Å; Q66-K69 PolarHBondContact O-N 3.46Å; Q66-R70 WeakPolarHBondContact O-CB 3.11Å; Q66-R70 PolarHBondContact O-N 3.49Å
67P94.3Very high92.2Very high111 Ų11168.8 Ų68.872%0.72136%0.358SS*.Hα-helixtrans-50.7-47-174-29.935.9000114.2R70 E71P67-R70 WeakPolarHBondContact O-CB 3.41Å; P67-R70 PolarHBondContact O-N 2.61Å; P67-E71 PolarHBondContact O-N 3.49Å; P67-E71 VanDerWaalsContact O-N 3.07Å
68A94.4Very high92.5Very high78 Ų7873.6 Ų73.665%0.64537%0.368SS*.Hα-helixtrans-60.6-52.3178.600000112.5Q66 R70 E71 E72Q66-A68 VanDerWaalsContact C-N 3.33Å; Q66-A68 PolarHBondContact O-N 3.44Å; A68-R70 PolarHBondContact O-N 3.43Å; A68-E71 PolarHBondContact O-N 3.2Å; A68-E72 PolarHBondContact O-N 3.23Å
69K95Very high93Very high59 Ų5969 Ų6926%0.25735%0.347SS..Hα-helixtrans-64.6-29.1179.1-58.4-168.1179.9-144.10112.9L37 Y40 Q66 M73L37-K69 HydrophobicContact CD1-CB 4.34Å; Y40-K69 HydrophobicContact CD1-CB 4.35Å; Y40-K69 HydrophobicContact CD1-CD 3.49Å; Y40-K69 VanDerWaalsContact CD1-CD 3.49Å; Y40-K69 HydrophobicContact CD2-CD 3.84Å; Y40-K69 HydrophobicContact CE1-CB 3.94Å; Y40-K69 HydrophobicContact CE1-CD 3.47Å; Y40-K69 VanDerWaalsContact CE1-CD 3.47Å; Y40-K69 HydrophobicContact CE1-CG 4.33Å; Y40-K69 HydrophobicContact CE2-CD 3.81Å; Y40-K69 HydrophobicContact CG-CD 3.67Å; Q66-K69 HydrophobicContact CB-CG 4.48Å; Q66-K69 PolarHBondContact O-N 3.46Å; K69-M73 VanDerWaalsContact O-CB 3.29Å; K69-M73 WeakPolarHBondContact O-CB 3.39Å; K69-M73 PolarHBondContact O-N 3.23Å
70R94.3Very high93.4Very high71 Ų7164.6 Ų64.627%0.26833%0.326SS..Hα-helixtrans-66.1-48.4174.4-175.4-173.8-60.2-1541.4110.8H63 Y65 Q66 P67 A68 E72 M73 K74H63-R70 VanDerWaalsContact CB-NH2 3.31Å; H63-R70 PolarHBondContact ND1-NH1 3.19Å; H63-R70 PolarHBondContact ND1-NH2 3.45Å; H63-R70 VanDerWaalsContact ND1-NH2 3.18Å; Y65-R70 PolarHBondContact O-NH2 2.92Å; Q66-R70 WeakPolarHBondContact O-CB 3.11Å; Q66-R70 PolarHBondContact O-N 3.49Å; P67-R70 WeakPolarHBondContact O-CB 3.41Å; P67-R70 PolarHBondContact O-N 2.61Å; A68-R70 PolarHBondContact O-N 3.43Å; R70-E72 VanDerWaalsContact C-N 3.32Å; R70-M73 PolarHBondContact O-N 2.72Å; R70-K74 WeakPolarHBondContact O-CG 3.47Å; R70-K74 PolarHBondContact O-N 3.01Å
71E94.7Very high93.4Very high92 Ų9263.8 Ų63.843%0.4332%0.324SS..Hα-helixtrans-66.9-40.2-178.5-16752.1-136.800111.3P67 A68 M73 K74 Q75 R78P67-E71 PolarHBondContact O-N 3.49Å; P67-E71 VanDerWaalsContact O-N 3.07Å; A68-E71 PolarHBondContact O-N 3.2Å; E71-M73 PolarHBondContact O-N 3.35Å; E71-K74 WeakPolarHBondContact O-CB 3.37Å; E71-K74 PolarHBondContact O-N 3.29Å; E71-K74 WeakPolarHBondContact OE2-CD 3.38Å; E71-K74 IonicContact OE2-NZ 3.76Å; E71-Q75 PolarHBondContact O-N 3.3Å; E71-R78 IonicContact OE1-NH2 2.76Å
72E95.3Very high93.6Very high37 Ų3765 Ų6517%0.17333%0.332CS..Hα-helixtrans-60-49.1173.8-170.4-176.2177.900112.3H33 L37 A68 R70 K74 Q75 I76H33-E72 IonicContact CD2-OE1 3.44Å; H33-E72 IonicContact CE1-OE1 2.61Å; H33-E72 PolarHBondContact CE1-OE1 3.26Å; H33-E72 IonicContact CE1-OE2 3.64Å; H33-E72 IonicContact NE2-OE1 2.76Å; H33-E72 PolarHBondContact NE2-OE1 3.49Å; H33-E72 IonicContact NE2-OE2 3.62Å; L37-E72 HydrophobicContact CD2-CG 4.15Å; A68-E72 PolarHBondContact O-N 3.23Å; R70-E72 VanDerWaalsContact C-N 3.32Å; E72-K74 VanDerWaalsContact C-N 3.26Å; E72-K74 PolarHBondContact O-N 2.84Å; E72-Q75 WeakPolarHBondContact O-CB 3.29Å; E72-Q75 PolarHBondContact O-N 2.87Å; E72-Q75 VanDerWaalsContact O-N 3.08Å; E72-I76 HydrophobicContact CG-CD1 4.48Å; E72-I76 WeakPolarHBondContact O-CG1 3.35Å; E72-I76 PolarHBondContact O-N 2.98Å
73M95.5Very high93.9Very high6 Ų668.5 Ų68.53%0.0334%0.341CS..Hα-helixtrans-60.4-37.7176.7-172.863.361.200111.7I13 I17 L37 A41 Y65 K69 R70 E71 I76 M77I13-M73 HydrophobicContact CG2-CE 4Å; I13-M73 HydrophobicContact CG2-SD 4.14Å; I17-M73 HydrophobicContact CD1-CE 4.17Å; L37-M73 HydrophobicContact CD1-CE 4.13Å; L37-M73 HydrophobicContact CD2-CE 4.06Å; L37-M73 HydrophobicContact CG-CE 3.88Å; A41-M73 HydrophobicContact CB-CE 4.05Å; Y65-M73 HydrophobicContact CD2-CB 4.25Å; Y65-M73 HydrophobicContact CE2-CB 3.97Å; Y65-M73 HydrophobicContact CE2-CE 4.15Å; Y65-M73 HydrophobicContact CE2-CG 3.92Å; K69-M73 VanDerWaalsContact O-CB 3.29Å; K69-M73 WeakPolarHBondContact O-CB 3.39Å; K69-M73 PolarHBondContact O-N 3.23Å; R70-M73 PolarHBondContact O-N 2.72Å; E71-M73 PolarHBondContact O-N 3.35Å; M73-I76 PolarHBondContact O-N 3.14Å; M73-M77 HydrophobicContact CG-CE 3.4Å; M73-M77 HydrophobicContact CG-CG 4.35Å; M73-M77 HydrophobicContact CG-SD 4.01Å; M73-M77 WeakPolarHBondContact O-CB 3.31Å; M73-M77 VanDerWaalsContact O-CG 3.23Å; M73-M77 WeakPolarHBondContact O-CG 3.49Å; M73-M77 PolarHBondContact O-N 2.81Å; M73-M77 HydrophobicContact SD-CE 3.9Å
74K94.6Very high94.1Very high96 Ų9661.3 Ų61.342%0.41731%0.308SS..Hα-helixtrans-62.9-41.6174.2-77.3174.1174.1-1780111.8R70 E71 E72 M77 R78R70-K74 WeakPolarHBondContact O-CG 3.47Å; R70-K74 PolarHBondContact O-N 3.01Å; E71-K74 WeakPolarHBondContact O-CB 3.37Å; E71-K74 PolarHBondContact O-N 3.29Å; E71-K74 WeakPolarHBondContact OE2-CD 3.38Å; E71-K74 IonicContact OE2-NZ 3.76Å; E72-K74 VanDerWaalsContact C-N 3.26Å; E72-K74 PolarHBondContact O-N 2.84Å; K74-M77 PolarHBondContact O-N 3.47Å; K74-R78 WeakPolarHBondContact O-CB 3.45Å; K74-R78 PolarHBondContact O-N 3.49Å
75Q95.5Very high94.1Very high71 Ų7163 Ų6333%0.33231%0.313SS..Hα-helixtrans-59.5-47.9175.6-176.6179.41000110.9Y20 E71 E72 R78 W79Y20-Q75 HydrophobicContact CE2-CG 4.3Å; Y20-Q75 PolarHBondContact OH-NE2 2.88Å; Y20-Q75 VanDerWaalsContact OH-NE2 3.1Å; E71-Q75 PolarHBondContact O-N 3.3Å; E72-Q75 WeakPolarHBondContact O-CB 3.29Å; E72-Q75 PolarHBondContact O-N 2.87Å; E72-Q75 VanDerWaalsContact O-N 3.08Å; Q75-R78 PolarHBondContact O-N 2.75Å; Q75-W79 WeakPolarHBondContact O-CB 3.38Å; Q75-W79 PolarHBondContact O-N 2.76Å
76I96.4Very high94Very high1 Ų172.3 Ų72.31%0.00535%0.348CS..Hα-helixtrans-59.3-51.3176.1-66.4174.9000110.6M16 I17 Y20 Y34 L37 E72 M73 R78 W79 A80M16-I76 HydrophobicContact CB-CG2 4.15Å; I17-I76 HydrophobicContact CG1-CD1 4.14Å; I17-I76 HydrophobicContact CG1-CG2 4.24Å; Y20-I76 HydrophobicContact CD1-CD1 4.46Å; Y20-I76 HydrophobicContact CD1-CG1 3.88Å; Y20-I76 HydrophobicContact CD2-CB 4.33Å; Y20-I76 HydrophobicContact CD2-CG1 4.04Å; Y20-I76 HydrophobicContact CE1-CG1 4.22Å; Y20-I76 HydrophobicContact CE2-CG1 4.36Å; Y20-I76 HydrophobicContact CG-CB 4.35Å; Y20-I76 HydrophobicContact CG-CG1 3.79Å; Y20-I76 HydrophobicContact CG-CG2 4.33Å; Y34-I76 HydrophobicContact CD1-CD1 4.35Å; Y34-I76 HydrophobicContact CE1-CD1 4.17Å; L37-I76 HydrophobicContact CD2-CD1 3.36Å; E72-I76 HydrophobicContact CG-CD1 4.48Å; E72-I76 WeakPolarHBondContact O-CG1 3.35Å; E72-I76 PolarHBondContact O-N 2.98Å; M73-I76 PolarHBondContact O-N 3.14Å; I76-R78 VanDerWaalsContact C-N 3.35Å; I76-R78 PolarHBondContact O-N 3.38Å; I76-W79 PolarHBondContact O-N 2.61Å; I76-A80 WeakPolarHBondContact O-CB 3.42Å; I76-A80 PolarHBondContact O-N 3.19Å
77M93Very high93.7Very high63 Ų6374 Ų7431%0.3135%0.35SS..Hα-helixtrans-59.3-43.9179.8-73.1171.4177.700112.1M16 M73 K74 W79 G81M16-M77 HydrophobicContact SD-CG 4.23Å; M73-M77 HydrophobicContact CG-CE 3.4Å; M73-M77 HydrophobicContact CG-CG 4.35Å; M73-M77 HydrophobicContact CG-SD 4.01Å; M73-M77 WeakPolarHBondContact O-CB 3.31Å; M73-M77 VanDerWaalsContact O-CG 3.23Å; M73-M77 WeakPolarHBondContact O-CG 3.49Å; M73-M77 PolarHBondContact O-N 2.81Å; M73-M77 HydrophobicContact SD-CE 3.9Å; K74-M77 PolarHBondContact O-N 3.47Å; M77-W79 VanDerWaalsContact C-N 3.35Å; M77-W79 PolarHBondContact O-N 3.07Å; M77-G81 WeakPolarHBondContact O-CA 3.27Å; M77-G81 PolarHBondContact O-N 3.07Å
78R94Very high93.5Very high157 Ų15772 Ų7259%0.59233%0.331SS*.Hα-helixtrans-64.4-39.5-179.7-170.8-175.6-58.5109.4-3.4111.9E71 K74 Q75 I76 P82E71-R78 IonicContact OE1-NH2 2.76Å; K74-R78 WeakPolarHBondContact O-CB 3.45Å; K74-R78 PolarHBondContact O-N 3.49Å; Q75-R78 PolarHBondContact O-N 2.75Å; I76-R78 VanDerWaalsContact C-N 3.35Å; I76-R78 PolarHBondContact O-N 3.38Å; R78-P82 WeakPolarHBondContact O-CD 3.44Å
79W95.8Very high93.3Very high48 Ų4871.4 Ų71.418%0.18232%0.321CS..Hα-helixtrans-82.6-45.9-178.4-173.395.3000112.7L19 Y20 K23 C24 Q75 I76 M77 R83L19-W79 HydrophobicContact CG-CZ3 4.16Å; Y20-W79 HydrophobicContact CD2-CB 3.89Å; Y20-W79 AromaticContact CD2-CD2 3.92Å; Y20-W79 HydrophobicContact CD2-CD2 3.92Å; Y20-W79 AromaticContact CD2-CE3 3.64Å; Y20-W79 HydrophobicContact CD2-CE3 3.64Å; Y20-W79 HydrophobicContact CD2-CG 4.04Å; Y20-W79 HydrophobicContact CD2-CZ3 4.49Å; Y20-W79 HydrophobicContact CE2-CB 3.84Å; Y20-W79 HydrophobicContact CE2-CD2 4.26Å; Y20-W79 HydrophobicContact CE2-CE3 4.42Å; Y20-W79 HydrophobicContact CE2-CG 4.01Å; Y20-W79 HydrophobicContact CG-CE3 4.35Å; K23-W79 VanDerWaalsContact C-CH2 3.41Å; K23-W79 HydrophobicContact CB-CH2 3.61Å; K23-W79 HydrophobicContact CB-CZ3 4.35Å; K23-W79 WeakPolarHBondContact O-CZ2 3.49Å; C24-W79 VanDerWaalsContact CA-CZ2 3.46Å; C24-W79 HydrophobicContact CB-CD2 3.91Å; C24-W79 HydrophobicContact CB-CE3 4.06Å; C24-W79 HydrophobicContact CB-CH2 4Å; C24-W79 HydrophobicContact CB-CZ2 3.81Å; C24-W79 HydrophobicContact CB-CZ3 4.1Å; Q75-W79 WeakPolarHBondContact O-CB 3.38Å; Q75-W79 PolarHBondContact O-N 2.76Å; I76-W79 PolarHBondContact O-N 2.61Å; M77-W79 VanDerWaalsContact C-N 3.35Å; M77-W79 PolarHBondContact O-N 3.07Å; W79-R83 WeakPolarHBondContact O-CD 3.37Å; W79-R83 PolarHBondContact O-NH1 3.28Å
80A95.1Very high93.1Very high0 Ų074.4 Ų74.40%034%0.338CS..Hα-helixtrans-78.5-32.6-176.100000112.4M16 L19 I76 R83 M84M16-A80 HydrophobicContact CB-CB 3.93Å; M16-A80 HydrophobicContact CG-CB 4.1Å; M16-A80 WeakPolarHBondContact O-CB 3.49Å; L19-A80 HydrophobicContact CD2-CB 4.42Å; I76-A80 WeakPolarHBondContact O-CB 3.42Å; I76-A80 PolarHBondContact O-N 3.19Å; A80-R83 CarbonylContact O-C 3.48Å; A80-R83 WeakPolarHBondContact O-CA 3.47Å; A80-R83 PolarHBondContact O-N 3.41Å; A80-M84 WeakPolarHBondContact O-CB 3.43Å; A80-M84 VanDerWaalsContact O-CG 3.29Å; A80-M84 WeakPolarHBondContact O-CG 3.43Å; A80-M84 PolarHBondContact O-N 3.28Å
81G90.9Very high92.9Very high19 Ų1972.2 Ų72.220%0.19633%0.331CS..Hα-helixtrans-51.8-57.5-175.400000114.3M77 R83 M84M77-G81 WeakPolarHBondContact O-CA 3.27Å; M77-G81 PolarHBondContact O-N 3.07Å; G81-R83 PolarHBondContact O-N 3.03Å; G81-M84 WeakPolarHBondContact O-CB 3.36Å; G81-M84 PolarHBondContact O-N 2.88Å
82P92.4Very high92.6Very high87 Ų8768.4 Ų68.457%0.56532%0.315SS*.Hα-helixtrans-61.1-29.2176.6-24.534.7000113.6R78R78-P82 WeakPolarHBondContact O-CD 3.44Å
83R94.6Very high92.4Very high111 Ų11170.2 Ų70.242%0.41933%0.328SS..Hα-helixtrans-84.1-24.7-178-66.6172.7173.371.74.7113L19 W79 A80 G81 L85 W86L19-R83 HydrophobicContact CD2-CB 3.82Å; W79-R83 WeakPolarHBondContact O-CD 3.37Å; W79-R83 PolarHBondContact O-NH1 3.28Å; A80-R83 CarbonylContact O-C 3.48Å; A80-R83 WeakPolarHBondContact O-CA 3.47Å; A80-R83 PolarHBondContact O-N 3.41Å; G81-R83 PolarHBondContact O-N 3.03Å; R83-L85 PolarHBondContact O-N 3.48Å; R83-W86 PolarHBondContact O-N 3.05Å
84M92.3Very high92.1Very high1 Ų176.4 Ų76.41%0.00535%0.351CS..Hα-helixtrans-63.1-31.3176.2-83.2-69.3-6900111.8K15 M16 L19 A80 G81 W86 R87 H88 L91 T92K15-M84 HydrophobicContact CB-CE 3.49Å; K15-M84 VanDerWaalsContact CB-CE 3.49Å; K15-M84 HydrophobicContact CB-SD 3.89Å; K15-M84 HydrophobicContact CG-CE 4.41Å; M16-M84 HydrophobicContact CE-CG 4.45Å; M16-M84 HydrophobicContact CG-CG 3.79Å; M16-M84 HydrophobicContact CG-SD 4.32Å; L19-M84 HydrophobicContact CD2-CG 4.03Å; L19-M84 HydrophobicContact CD2-SD 3.99Å; A80-M84 WeakPolarHBondContact O-CB 3.43Å; A80-M84 VanDerWaalsContact O-CG 3.29Å; A80-M84 WeakPolarHBondContact O-CG 3.43Å; A80-M84 PolarHBondContact O-N 3.28Å; G81-M84 WeakPolarHBondContact O-CB 3.36Å; G81-M84 PolarHBondContact O-N 2.88Å; M84-W86 PolarHBondContact O-N 3.4Å; M84-R87 PolarHBondContact O-N 2.94Å; M84-H88 HydrophobicContact CE-CB 3.89Å; M84-H88 PolarHBondContact O-N 3.4Å; M84-L91 HydrophobicContact CE-CD2 4.04Å; M84-T92 VanDerWaalsContact C-OG1 3.29Å; M84-T92 PolarHBondContact O-OG1 3.22Å
85L91.2Very high91.7Very high80 Ų8073.5 Ų73.542%0.41934%0.339SS..Hα-helixtrans-54.4-39.4179-176.461.4000112.3R83 P89 T92R83-L85 PolarHBondContact O-N 3.48Å; L85-P89 WeakPolarHBondContact O-CA 3.04Å; L85-P89 WeakPolarHBondContact O-CB 3.09Å; L85-T92 HydrophobicContact CB-CG2 4.17Å; L85-T92 HydrophobicContact CD1-CG2 4.02Å; L85-T92 PolarHBondContact N-OG1 2.93Å
86W91Very high91.4Very high221 Ų22174.5 Ų74.584%0.83735%0.346SS*.Hα-helixtrans-76.3-23.3-179-60.9107.3000114R83 M84R83-W86 PolarHBondContact O-N 3.05Å; M84-W86 PolarHBondContact O-N 3.4Å
87R88.3Confident91Very high146 Ų14679.6 Ų79.655%0.55137%0.372SS*.Hα-helixtrans-103.1-35.7-174.6-68.2-175.9175.8-97.6-3.7113.2L19 M84L19-R87 VanDerWaalsContact CD1-NE 3.29Å; M84-R87 PolarHBondContact O-N 2.94Å
88H89.5Confident90.7Very high68 Ų6876.9 Ų76.932%0.31536%0.359SS..  trans-137.759.4-175.4-62.3-61.5000110.6M84 I90 L91 T92M84-H88 HydrophobicContact CE-CB 3.89Å; M84-H88 PolarHBondContact O-N 3.4Å; H88-I90 VanDerWaalsContact C-N 3.31Å; H88-I90 PolarHBondContact O-N 2.88Å; H88-L91 HydrophobicContact CB-CB 3.92Å; H88-L91 HydrophobicContact CB-CD2 4.37Å; H88-L91 WeakPolarHBondContact O-CB 3.27Å; H88-L91 PolarHBondContact O-N 2.95Å; H88-T92 PolarHBondContact O-N 3.32Å; H88-T92 PolarHBondContact O-OG1 2.9Å
89P90.2Very high90.3Very high66 Ų6670.4 Ų70.443%0.42934%0.336SS..Hα-helixtrans-55-44-171.319.9-32.6000112.8L85 L91 T92 V93L85-P89 WeakPolarHBondContact O-CA 3.04Å; L85-P89 WeakPolarHBondContact O-CB 3.09Å; P89-L91 VanDerWaalsContact C-N 3.34Å; P89-L91 PolarHBondContact O-N 3.4Å; P89-T92 PolarHBondContact O-N 3.05Å; P89-V93 WeakPolarHBondContact O-CG2 3.44Å; P89-V93 PolarHBondContact O-N 3.11Å
90I91.5Very high89.8Confident122 Ų12276.6 Ų76.663%0.62636%0.364SS*.Hα-helixtrans-62.6-41.5178.9-59.6174.1000111.4H88 R94H88-I90 VanDerWaalsContact C-N 3.31Å; H88-I90 PolarHBondContact O-N 2.88Å; I90-R94 WeakPolarHBondContact O-CB 3.26Å; I90-R94 WeakPolarHBondContact O-CG 3.26Å; I90-R94 PolarHBondContact O-N 3.09Å; I90-R94 VanDerWaalsContact O-N 3.15Å
91L89.1Confident89.3Confident24 Ų2481 Ų8113%0.12638%0.381CS..Hα-helixtrans-67.9-43.2178.6-173.361000110.5R8 L11 T12 K15 M84 H88 P89 R94 H95R8-L91 HydrophobicContact CG-CD1 3.85Å; L11-L91 HydrophobicContact CG-CD2 4.31Å; T12-L91 WeakPolarHBondContact OG1-CD1 3.47Å; K15-L91 HydrophobicContact CG-CD2 4.28Å; M84-L91 HydrophobicContact CE-CD2 4.04Å; H88-L91 HydrophobicContact CB-CB 3.92Å; H88-L91 HydrophobicContact CB-CD2 4.37Å; H88-L91 WeakPolarHBondContact O-CB 3.27Å; H88-L91 PolarHBondContact O-N 2.95Å; P89-L91 VanDerWaalsContact C-N 3.34Å; P89-L91 PolarHBondContact O-N 3.4Å; L91-R94 PolarHBondContact O-N 2.94Å; L91-H95 WeakPolarHBondContact O-CB 3.44Å; L91-H95 PolarHBondContact O-N 3.27Å
92T89.4Confident89Confident13 Ų1385.3 Ų85.38%0.0841%0.406CS..Hα-helixtrans-62.6-48.9177.8-59.20000111.6M84 L85 H88 P89 R94 H95 L96M84-T92 VanDerWaalsContact C-OG1 3.29Å; M84-T92 PolarHBondContact O-OG1 3.22Å; L85-T92 HydrophobicContact CB-CG2 4.17Å; L85-T92 HydrophobicContact CD1-CG2 4.02Å; L85-T92 PolarHBondContact N-OG1 2.93Å; H88-T92 PolarHBondContact O-N 3.32Å; H88-T92 PolarHBondContact O-OG1 2.9Å; P89-T92 PolarHBondContact O-N 3.05Å; T92-R94 VanDerWaalsContact C-N 3.32Å; T92-R94 PolarHBondContact O-N 3.26Å; T92-H95 PolarHBondContact O-N 3.04Å; T92-L96 HydrophobicContact CG2-CD1 4.14Å; T92-L96 HydrophobicContact CG2-CG 4.35Å; T92-L96 VanDerWaalsContact O-CG 3.3Å; T92-L96 WeakPolarHBondContact O-CG 3.48Å; T92-L96 PolarHBondContact O-N 3.05Å
93V90.5Very high88.7Confident75 Ų7584.5 Ų84.546%0.45540%0.399SS..Hα-helixtrans-59.2-44.7178.21720000110.8P89 H95 L96 I97P89-V93 WeakPolarHBondContact O-CG2 3.44Å; P89-V93 PolarHBondContact O-N 3.11Å; V93-H95 PolarHBondContact O-N 3.29Å; V93-L96 PolarHBondContact O-N 3.23Å; V93-I97 HydrophobicContact CG1-CD1 4.06Å; V93-I97 WeakPolarHBondContact O-CG1 3.42Å; V93-I97 PolarHBondContact O-N 3.37Å
94R88.6Confident88.3Confident136 Ų13681.1 Ų81.151%0.51339%0.391SS..Hα-helixtrans-62.1-42.9176-75.5177.2175.1178.6-0.5112.4I90 L91 T92 L96 I97 D98I90-R94 WeakPolarHBondContact O-CB 3.26Å; I90-R94 WeakPolarHBondContact O-CG 3.26Å; I90-R94 PolarHBondContact O-N 3.09Å; I90-R94 VanDerWaalsContact O-N 3.15Å; L91-R94 PolarHBondContact O-N 2.94Å; T92-R94 VanDerWaalsContact C-N 3.32Å; T92-R94 PolarHBondContact O-N 3.26Å; R94-L96 VanDerWaalsContact C-N 3.35Å; R94-I97 PolarHBondContact O-N 3.4Å; R94-D98 PolarHBondContact O-N 3.18Å
95H86.6Confident87.9Confident34 Ų3488.8 Ų88.816%0.15743%0.427CS..Hα-helixtrans-61.6-43.2176176.763.7000111.4T12 L91 T92 V93 I97 D98 D99T12-H95 HydrophobicContact CG2-CB 4.36Å; L91-H95 WeakPolarHBondContact O-CB 3.44Å; L91-H95 PolarHBondContact O-N 3.27Å; T92-H95 PolarHBondContact O-N 3.04Å; V93-H95 PolarHBondContact O-N 3.29Å; H95-I97 VanDerWaalsContact C-N 3.31Å; H95-I97 PolarHBondContact O-N 3.48Å; H95-D98 PolarHBondContact O-N 3.31Å; H95-D99 IonicContact CE1-OD1 2.65Å; H95-D99 PolarHBondContact CE1-OD1 3.32Å; H95-D99 IonicContact NE2-OD1 3.01Å; H95-D99 WeakPolarHBondContact O-CB 3.46Å; H95-D99 PolarHBondContact O-N 3.26Å
96L88.8Confident87.6Confident92 Ų9287 Ų8748%0.48242%0.418SS..Hα-helixtrans-63.9-33.7177-68.4176.4000113.1T92 V93 R94T92-L96 HydrophobicContact CG2-CD1 4.14Å; T92-L96 HydrophobicContact CG2-CG 4.35Å; T92-L96 VanDerWaalsContact O-CG 3.3Å; T92-L96 WeakPolarHBondContact O-CG 3.48Å; T92-L96 PolarHBondContact O-N 3.05Å; V93-L96 PolarHBondContact O-N 3.23Å; R94-L96 VanDerWaalsContact C-N 3.35Å
97I89Confident87.1Confident108 Ų10878.6 Ų78.655%0.55439%0.392SS*.Hα-helixtrans-68.6-46.3173.1-67165000110.4V93 R94 H95 D99 K100V93-I97 HydrophobicContact CG1-CD1 4.06Å; V93-I97 WeakPolarHBondContact O-CG1 3.42Å; V93-I97 PolarHBondContact O-N 3.37Å; R94-I97 PolarHBondContact O-N 3.4Å; H95-I97 VanDerWaalsContact C-N 3.31Å; H95-I97 PolarHBondContact O-N 3.48Å; I97-D99 PolarHBondContact O-N 3.07Å; I97-K100 PolarHBondContact O-N 3Å
98D85.9Confident86.8Confident6 Ų679.2 Ų79.23%0.03240%0.401CS..Hα-helixtrans-61.3-32176.9-72.4-28.5000112.3R5 R8 R94 H95 K100 R101R5-D98 IonicContact NE-OD1 2.61Å; R8-D98 IonicContact CZ-OD2 3.23Å; R8-D98 VanDerWaalsContact CZ-OD2 3.23Å; R8-D98 IonicContact NE-OD2 3.1Å; R8-D98 PolarHBondContact NE-OD2 3.22Å; R8-D98 VanDerWaalsContact NE-OD2 3.1Å; R8-D98 IonicContact NH2-OD1 3.57Å; R8-D98 PolarHBondContact NH2-OD1 3.18Å; R8-D98 IonicContact NH2-OD2 3.97Å; R8-D98 PolarHBondContact NH2-OD2 3.22Å; R94-D98 PolarHBondContact O-N 3.18Å; H95-D98 PolarHBondContact O-N 3.31Å; D98-K100 PolarHBondContact O-N 3.02Å; D98-R101 WeakPolarHBondContact O-CB 3.25Å; D98-R101 WeakPolarHBondContact O-CG 3.21Å; D98-R101 PolarHBondContact O-N 2.88Å; D98-R101 IonicContact OD1-CZ 3.9Å; D98-R101 IonicContact OD1-NE 3.48Å; D98-R101 IonicContact OD1-NH2 2.75Å
99D85.4Confident86.4Confident22 Ų2284.7 Ų84.712%0.11842%0.424CS..THydrogen-bonded Turntrans-68.3-13.5-179.8-109.828.5000114.4A56 K58 Q59 H95 I97A56-D99 HydrophobicContact CB-CB 4.4Å; A56-D99 WeakPolarHBondContact CB-OD1 3.28Å; K58-D99 IonicContact NZ-OD2 3.62Å; K58-D99 PolarHBondContact NZ-OD2 3.09Å; Q59-D99 PolarHBondContact OE1-O 2.9Å; H95-D99 IonicContact CE1-OD1 2.65Å; H95-D99 PolarHBondContact CE1-OD1 3.32Å; H95-D99 IonicContact NE2-OD1 3.01Å; H95-D99 WeakPolarHBondContact O-CB 3.46Å; H95-D99 PolarHBondContact O-N 3.26Å; I97-D99 PolarHBondContact O-N 3.07Å
100K86.5Confident86Confident178 Ų17887 Ų8777%0.77443%0.425SS*.THydrogen-bonded Turntrans-94.5-2.2177-66.5-178.2179.8-174.50113.3I97 D98I97-K100 PolarHBondContact O-N 3Å; D98-K100 PolarHBondContact O-N 3.02Å
101R83.4Confident85.4Confident91 Ų9187.1 Ų87.134%0.34342%0.417SS..PPolyproline II helixtrans-67.4138.3-178.7-69-168.9-169.2-157.2-4.4111.1D98D98-R101 WeakPolarHBondContact O-CB 3.25Å; D98-R101 WeakPolarHBondContact O-CG 3.21Å; D98-R101 PolarHBondContact O-N 2.88Å; D98-R101 IonicContact OD1-CZ 3.9Å; D98-R101 IonicContact OD1-NE 3.48Å; D98-R101 IonicContact OD1-NH2 2.75Å
102P85.9Confident84.8Confident111 Ų11191.3 Ų91.372%0.72145%0.446SS*.PPolyproline II helixtrans-63.5156.8174.729-34.8000110.6P104P102-P104 VanDerWaalsContact O-CD 3.31Å; P102-P104 WeakPolarHBondContact O-CD 3.37Å
103V85.7Confident84.2Confident69 Ų69100.3 Ų100.342%0.41848%0.484SS..PPolyproline II helixtrans-70.1116.2172.9178.40000108.1P55 Q59 P61P55-V103 HydrophobicContact CB-CB 4.47Å; P55-V103 HydrophobicContact CB-CG2 4Å; P55-V103 HydrophobicContact CG-CG1 4.39Å; P55-V103 HydrophobicContact CG-CG2 4.3Å; Q59-V103 HydrophobicContact CB-CG2 4.16Å; Q59-V103 VanDerWaalsContact O-CG2 3.26Å; Q59-V103 WeakPolarHBondContact O-CG2 3.43Å; P61-V103 HydrophobicContact CG-CG1 3.79Å
104P84.7Confident83.4Confident40 Ų40105.7 Ų105.726%0.2650%0.501SS..PPolyproline II helixtrans-67.9160.7174.532.4-37.9000110.1F50 E53 P102 L106F50-P104 HydrophobicContact CD1-CG 3.52Å; F50-P104 HydrophobicContact CE1-CG 3.83Å; F50-P104 HydrophobicContact CG-CG 4.24Å; E53-P104 WeakPolarHBondContact O-CG 3.38Å; P102-P104 VanDerWaalsContact O-CD 3.31Å; P102-P104 WeakPolarHBondContact O-CD 3.37Å; P104-L106 PolarHBondContact O-N 3.5Å
105E85.3Confident82.3Confident162 Ų162105.1 Ų105.176%0.75752%0.515SS*.PPolyproline II helixtrans-57.8140.3173.4-64.4-169.4158.700111.2
106L84.3Confident81.3Confident43 Ų43112.6 Ų112.623%0.22555%0.55CS..PPolyproline II helixtrans-62136.3175.4-79.1164.6000109.8F50 P61 V62 P104 E108 R111F50-L106 HydrophobicContact CE1-CD2 3.87Å; F50-L106 HydrophobicContact CE1-CG 4.42Å; F50-L106 HydrophobicContact CE2-CD2 4.35Å; F50-L106 HydrophobicContact CZ-CD2 3.45Å; F50-L106 VanDerWaalsContact CZ-CD2 3.45Å; F50-L106 HydrophobicContact CZ-CG 4.26Å; P61-L106 HydrophobicContact CG-CD2 4.25Å; P61-L106 HydrophobicContact CG-CG 4.44Å; V62-L106 HydrophobicContact CG2-CD2 3.61Å; P104-L106 PolarHBondContact O-N 3.5Å; L106-E108 PolarHBondContact O-N 3.27Å; L106-R111 HydrophobicContact CB-CG 4.08Å; L106-R111 PolarHBondContact O-NE 3.39Å
107P81.4Confident79.8Confident45 Ų45120.7 Ų120.729%0.29259%0.585SS.*PPolyproline II helixtrans-56144.2171.1-16.425.8000109.6V49 K109 Y110 R111V49-P107 HydrophobicContact CB-CG 4.45Å; V49-P107 VanDerWaalsContact O-CG 3.3Å; V49-P107 WeakPolarHBondContact O-CG 3.3Å; P107-K109 PolarHBondContact O-N 3.13Å; P107-Y110 HydrophobicContact CB-CD2 4.07Å; P107-Y110 HydrophobicContact CG-CD2 4.12Å; P107-Y110 PolarHBondContact O-N 3.08Å; P107-R111 PolarHBondContact O-N 2.81Å
108E81.6Confident79.3Confident158 Ų158121.3 Ų121.374%0.73859%0.586SS**G310 helixtrans-47.6-41.6-172.2-174.8169.8-166.100113.7L106 Y110 R111L106-E108 PolarHBondContact O-N 3.27Å; E108-Y110 PolarHBondContact O-N 3.39Å; E108-Y110 VanDerWaalsContact O-N 3.08Å; E108-R111 PolarHBondContact O-N 3.02Å; E108-R111 VanDerWaalsContact O-N 3.13Å
109K80.4Confident79Confident184 Ų184127.4 Ų127.480%0.862%0.616SS**G310 helixtrans-56.9-24.4177.3-172.1174.4-178.3176.70114.8P107P107-K109 PolarHBondContact O-N 3.13Å
110Y81Confident78.6Confident115 Ų115133.2 Ų133.245%0.45164%0.643SS.*G310 helixtrans-110-0.3-176.8-60.6-83.3000113.1V49 P107 E108V49-Y110 HydrophobicContact CB-CD2 3.93Å; V49-Y110 HydrophobicContact CB-CE2 3.65Å; V49-Y110 HydrophobicContact CB-CG 4.47Å; V49-Y110 HydrophobicContact CG1-CD1 4.07Å; V49-Y110 HydrophobicContact CG1-CD2 4.04Å; V49-Y110 HydrophobicContact CG1-CE1 3.58Å; V49-Y110 HydrophobicContact CG1-CE2 3.54Å; V49-Y110 HydrophobicContact CG1-CG 4.28Å; P107-Y110 HydrophobicContact CB-CD2 4.07Å; P107-Y110 HydrophobicContact CG-CD2 4.12Å; P107-Y110 PolarHBondContact O-N 3.08Å; E108-Y110 PolarHBondContact O-N 3.39Å; E108-Y110 VanDerWaalsContact O-N 3.08Å
111R80Confident78.2Confident124 Ų124130.6 Ų130.647%0.46864%0.636SS.*SBendtrans-71138.5175.5-63179.3-165.4164.9-1.6108.9L106 P107 E108 K113L106-R111 HydrophobicContact CB-CG 4.08Å; L106-R111 PolarHBondContact O-NE 3.39Å; P107-R111 PolarHBondContact O-N 2.81Å; E108-R111 PolarHBondContact O-N 3.02Å; E108-R111 VanDerWaalsContact O-N 3.13Å; R111-K113 PolarHBondContact O-N 3.27Å
112P76.8Confident77.8Confident112 Ų112133.1 Ų133.173%0.72765%0.654SS**PPolyproline II helixtrans-57.6132.3169.724.1-31.1000108.6K114P112-K114 PolarHBondContact O-N 3.32Å
113K77.1Confident77.3Confident202 Ų202134.5 Ų134.588%0.87865%0.649SS**PPolyproline II helixtrans-59.4127.8172.4-68.3-175.6177.9-176.10107.1R111R111-K113 PolarHBondContact O-N 3.27Å
114K72.4Confident76.7Confident187 Ų187139.2 Ų139.281%0.81367%0.666SS**PPolyproline II helixtrans-53.6136.2169.9-69.4-175.7179.5-178.20107.2P112 H116P112-K114 PolarHBondContact O-N 3.32Å; K114-H116 PolarHBondContact O-N 3.13Å; K114-H116 VanDerWaalsContact O-N 3.15Å
115P66.1Low76.1Confident124 Ų124146.8 Ų146.881%0.80570%0.697SS**PPolyproline II helixtrans-51.4126.2168.1-18.730.1000107.2E117P115-E117 PolarHBondContact O-N 3.15Å; P115-E117 VanDerWaalsContact O-N 3.13Å
116H64.9Low75.3Confident191 Ų191145.6 Ų145.688%0.88469%0.692SS**PPolyproline II helixtrans-60.7117.2165.4-93-92.2000105.7K114K114-H116 PolarHBondContact O-N 3.13Å; K114-H116 VanDerWaalsContact O-N 3.15Å
117E57.6Low74.5Confident262 Ų262154.9 Ų154.9100%1.22474%0.735SS**  trans-61.70168.4-164.9173.3133.300110.1P115P115-E117 PolarHBondContact O-N 3.15Å; P115-E117 VanDerWaalsContact O-N 3.13Å

Retrieved 117 of 117 residues in 72.5 ms (Link to these results)

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