A0A077ZQQ5_TRITR Loading...

Integrase p58-like C-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZQQ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 149 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
1K61.3Low84.7Confident261 Ų26180.1 Ų80.1100%1.13541%0.413SS*.  0124.10-73.8179.9175.3174.50107.5
2G70.1Confident85.3Confident27 Ų2782.7 Ų82.728%0.27844%0.439SS..  trans-134.5178.8178.500000109.4Y4G2-Y4 WeakPolarHBondContact O-CD2 3.46Å; G2-Y4 WeakPolarHBondContact O-CE2 3.32Å; G2-Y4 PolarHBondContact O-N 2.67Å
3P83.8Confident85.8Confident44 Ų4481.4 Ų81.429%0.28644%0.436SS..  trans-71.7124.3-178.431.4-35.1000109.6A20 I41 L43P3-A20 HydrophobicContact CG-CB 4.16Å; P3-A20 VanDerWaalsContact O-CB 3.28Å; P3-A20 WeakPolarHBondContact O-CB 3.35Å; P3-A20 PolarHBondContact O-N 3Å; P3-I41 HydrophobicContact CB-CG2 4.2Å; P3-L43 HydrophobicContact CB-CD2 3.6Å; P3-L43 HydrophobicContact CB-CG 4.5Å; P3-L43 HydrophobicContact CG-CD2 4.06Å
4Y87.6Confident86.2Confident68 Ų6878.2 Ų78.227%0.26742%0.421SS..EExtended strand (participates in β ladder)trans-100.9154.4175-70.5-91.2000109.6G2 I17 Q18 H19 H27G2-Y4 WeakPolarHBondContact O-CD2 3.46Å; G2-Y4 WeakPolarHBondContact O-CE2 3.32Å; G2-Y4 PolarHBondContact O-N 2.67Å; Y4-I17 HydrophobicContact CD1-CB 4.38Å; Y4-I17 HydrophobicContact CD1-CD1 3.71Å; Y4-I17 HydrophobicContact CD1-CG1 4.09Å; Y4-I17 HydrophobicContact CD2-CD1 4.38Å; Y4-I17 HydrophobicContact CE1-CD1 4.26Å; Y4-I17 HydrophobicContact CG-CD1 3.79Å; Y4-I17 HydrophobicContact CG-CG1 4.49Å; Y4-Q18 WeakPolarHBondContact CA-O 3.42Å; Y4-H19 HydrophobicContact CD1-CB 4.04Å; Y4-H19 HydrophobicContact CE1-CB 3.8Å; Y4-H19 AromaticContact CE1-CD2 3.93Å; Y4-H19 AromaticContact CZ-CD2 3.84Å; Y4-H27 AromaticContact CE1-CD2 3.78Å
5R87.6Confident86.6Confident47 Ų4776.3 Ų76.318%0.17741%0.406CS..EExtended strand (participates in β ladder)trans-119.3138.9171.7-66.4-171.2-179.5176.49.6110.5T7 I17 Q18 L43 P44R5-T7 PolarHBondContact O-N 2.93Å; R5-I17 CarbonylContact O-C 3.59Å; R5-I17 WeakPolarHBondContact O-CA 3.29Å; R5-Q18 PolarHBondContact N-O 3.07Å; R5-Q18 PolarHBondContact O-N 2.86Å; R5-L43 HydrophobicContact CG-CD1 4.2Å; R5-L43 HydrophobicContact CG-CD2 4.28Å; R5-P44 PolarHBondContact NH1-O 3.24Å; R5-P44 PolarHBondContact NH2-O 3.18Å
6I90.1Very high86.9Confident98 Ų9878.3 Ų78.350%0.50341%0.406SS..EExtended strand (participates in β ladder)trans-69.1124.5168.8-60170.4000107.6Y15 I17 L34I6-Y15 HydrophobicContact CD1-CD1 4.04Å; I6-Y15 HydrophobicContact CD1-CE1 4.39Å; I6-Y15 HydrophobicContact CD1-CG 4.29Å; I6-Y15 HydrophobicContact CG1-CD1 4.46Å; I6-Y15 HydrophobicContact CG2-CD1 3.77Å; I6-Y15 HydrophobicContact CG2-CG 4.38Å; I6-I17 HydrophobicContact CG1-CG2 4.09Å; I6-L34 HydrophobicContact CD1-CD1 4.39Å
7T89.7Confident87.2Confident56 Ų5674.1 Ų74.134%0.34438%0.384SS..EExtended strand (participates in β ladder)trans-105.2-26.7178.560.60000112.6R5 R16 Q18R5-T7 PolarHBondContact O-N 2.93Å; T7-R16 PolarHBondContact N-O 2.69Å; T7-R16 PolarHBondContact OG1-NE 2.84Å; T7-R16 PolarHBondContact OG1-O 3.36Å; T7-Q18 HydrophobicContact CG2-CB 3.41Å; T7-Q18 VanDerWaalsContact CG2-CB 3.41Å; T7-Q18 HydrophobicContact CG2-CG 4.46Å
8A88.3Confident87.3Confident29 Ų2972.3 Ų72.324%0.2437%0.374CS..EExtended strand (participates in β ladder)trans-158.1146.3174.100000108.6L10 R16A8-L10 HydrophobicContact CB-CD2 4.38Å; A8-R16 HydrophobicContact CB-CB 4.2Å; A8-R16 PolarHBondContact N-O 2.72Å; A8-R16 PolarHBondContact O-N 2.8Å
9Q93Very high87.3Confident117 Ų11769.7 Ų69.755%0.54736%0.36SS..EExtended strand (participates in β ladder)trans-94.7122165.3-176.5170.48.700107.5S11 Y15Q9-S11 WeakPolarHBondContact CG-O 3.49Å; Q9-S11 PolarHBondContact NE2-O 2.87Å; Q9-Y15 HydrophobicContact CB-CD1 3.92Å; Q9-Y15 HydrophobicContact CB-CE1 3.97Å; Q9-Y15 HydrophobicContact CG-CD1 3.85Å; Q9-Y15 HydrophobicContact CG-CE1 3.55Å
10L89.9Confident87.1Confident96 Ų9667.8 Ų67.850%0.50336%0.355SS..  trans-97-29.7-177-60-179.7000111.4A8 T14 R16 V28A8-L10 HydrophobicContact CB-CD2 4.38Å; L10-T14 PolarHBondContact N-O 2.94Å; L10-R16 HydrophobicContact CD1-CB 4.31Å; L10-R16 HydrophobicContact CG-CB 4.39Å; L10-V28 HydrophobicContact CD1-CB 4.38Å; L10-V28 HydrophobicContact CD1-CG1 3.73Å; L10-V28 HydrophobicContact CD1-CG2 3.69Å
11S90Very high86.9Confident38 Ų3873.5 Ų73.527%0.26638%0.376SS..SBendtrans-149175.5171880000109.7Q9 V13 T14Q9-S11 WeakPolarHBondContact CG-O 3.49Å; Q9-S11 PolarHBondContact NE2-O 2.87Å; S11-V13 PolarHBondContact O-N 3.06Å; S11-V13 PolarHBondContact OG-N 3.16Å; S11-T14 WeakPolarHBondContact CB-OG1 3.37Å; S11-T14 PolarHBondContact N-O 2.84Å; S11-T14 PolarHBondContact N-OG1 2.94Å; S11-T14 PolarHBondContact O-N 3.07Å; S11-T14 PolarHBondContact OG-N 3.15Å; S11-T14 PolarHBondContact OG-OG1 2.92Å
12P92.2Very high87.9Confident111 Ų11169.2 Ų69.272%0.72135%0.353SS*.SBendtrans-52.8-27.7173.4-27.736.5000113.7
13V92Very high88.5Confident66 Ų6675.8 Ų75.840%0.437%0.37SS..SBendtrans-120.2-3.2-174.5-61.60000113.9S11 H30 A31S11-V13 PolarHBondContact O-N 3.06Å; S11-V13 PolarHBondContact OG-N 3.16Å; V13-H30 WeakPolarHBondContact CB-NE2 3.07Å; V13-H30 VanDerWaalsContact CG2-NE2 3.32Å; V13-H30 WeakPolarHBondContact CG2-NE2 3.44Å; V13-H30 CarbonylContact O-C 3.58Å; V13-H30 VanDerWaalsContact O-CA 3.28Å; V13-H30 WeakPolarHBondContact O-CA 3.42Å; V13-H30 PolarHBondContact O-CD2 3.1Å; V13-A31 PolarHBondContact O-N 2.94Å
14T91.4Very high88.6Confident37 Ų3785.7 Ų85.723%0.22740%0.401CS..EExtended strand (participates in β ladder)trans-121.6133.7179.266.60000112.6L10 S11 V29L10-T14 PolarHBondContact N-O 2.94Å; S11-T14 WeakPolarHBondContact CB-OG1 3.37Å; S11-T14 PolarHBondContact N-O 2.84Å; S11-T14 PolarHBondContact N-OG1 2.94Å; S11-T14 PolarHBondContact O-N 3.07Å; S11-T14 PolarHBondContact OG-N 3.15Å; S11-T14 PolarHBondContact OG-OG1 2.92Å; T14-V29 WeakPolarHBondContact CA-O 3.28Å
15Y92.5Very high88.5Confident49 Ų4984.6 Ų84.619%0.19240%0.4CS..EExtended strand (participates in β ladder)trans-126.8140.7-177.5-59.5-83.5000110.5I6 Q9 V28 V29 A31 L34I6-Y15 HydrophobicContact CD1-CD1 4.04Å; I6-Y15 HydrophobicContact CD1-CE1 4.39Å; I6-Y15 HydrophobicContact CD1-CG 4.29Å; I6-Y15 HydrophobicContact CG1-CD1 4.46Å; I6-Y15 HydrophobicContact CG2-CD1 3.77Å; I6-Y15 HydrophobicContact CG2-CG 4.38Å; Q9-Y15 HydrophobicContact CB-CD1 3.92Å; Q9-Y15 HydrophobicContact CB-CE1 3.97Å; Q9-Y15 HydrophobicContact CG-CD1 3.85Å; Q9-Y15 HydrophobicContact CG-CE1 3.55Å; Y15-V28 CarbonylContact O-C 3.48Å; Y15-V28 WeakPolarHBondContact O-CA 3.38Å; Y15-V29 PolarHBondContact N-O 2.75Å; Y15-V29 PolarHBondContact O-N 2.98Å; Y15-A31 HydrophobicContact CE2-CB 4.11Å; Y15-L34 HydrophobicContact CD2-CD1 3.55Å; Y15-L34 HydrophobicContact CE2-CD1 4.19Å; Y15-L34 HydrophobicContact CG-CD1 4.09Å
16R91Very high88.6Confident108 Ų10885.4 Ų85.441%0.40841%0.41SS..EExtended strand (participates in β ladder)trans-87.8112.8165.8-169.5177.571.7-164.6-1.3108.9T7 A8 L10 V26 H27 V28T7-R16 PolarHBondContact N-O 2.69Å; T7-R16 PolarHBondContact OG1-NE 2.84Å; T7-R16 PolarHBondContact OG1-O 3.36Å; A8-R16 HydrophobicContact CB-CB 4.2Å; A8-R16 PolarHBondContact N-O 2.72Å; A8-R16 PolarHBondContact O-N 2.8Å; L10-R16 HydrophobicContact CD1-CB 4.31Å; L10-R16 HydrophobicContact CG-CB 4.39Å; R16-V26 HydrophobicContact CG-CG1 3.56Å; R16-H27 CarbonylContact C-O 3.43Å; R16-H27 WeakPolarHBondContact CA-O 3.5Å; R16-V28 HydrophobicContact CB-CG2 4.43Å; R16-V28 HydrophobicContact CG-CG2 4.31Å
17I91.4Very high88.7Confident8 Ų883.4 Ų83.44%0.04140%0.399CS..EExtended strand (participates in β ladder)trans-104.5149.5178.261.6169.6000112.2Y4 R5 I6 V26 H27 V29 L34Y4-I17 HydrophobicContact CD1-CB 4.38Å; Y4-I17 HydrophobicContact CD1-CD1 3.71Å; Y4-I17 HydrophobicContact CD1-CG1 4.09Å; Y4-I17 HydrophobicContact CD2-CD1 4.38Å; Y4-I17 HydrophobicContact CE1-CD1 4.26Å; Y4-I17 HydrophobicContact CG-CD1 3.79Å; Y4-I17 HydrophobicContact CG-CG1 4.49Å; R5-I17 CarbonylContact O-C 3.59Å; R5-I17 WeakPolarHBondContact O-CA 3.29Å; I6-I17 HydrophobicContact CG1-CG2 4.09Å; I17-V26 CarbonylContact O-C 3.47Å; I17-V26 WeakPolarHBondContact O-CA 3.1Å; I17-H27 HydrophobicContact CD1-CB 4.34Å; I17-H27 HydrophobicContact CG1-CB 3.9Å; I17-H27 WeakPolarHBondContact CG1-O 3.33Å; I17-H27 PolarHBondContact N-O 3.24Å; I17-H27 PolarHBondContact O-N 3.33Å; I17-V29 HydrophobicContact CD1-CB 4.4Å; I17-V29 HydrophobicContact CD1-CG1 3.76Å; I17-V29 HydrophobicContact CD1-CG2 3.69Å; I17-V29 HydrophobicContact CG1-CG1 4.17Å; I17-V29 HydrophobicContact CG1-CG2 3.91Å; I17-V29 HydrophobicContact CG2-CG2 3.91Å; I17-L34 HydrophobicContact CD1-CD2 4.33Å; I17-L34 HydrophobicContact CG2-CD2 3.98Å
18Q89.5Confident88.8Confident42 Ų4285 Ų8520%0.19641%0.408CS..EExtended strand (participates in β ladder)trans-128.5135.5176-179.3179.55200109.9Y4 R5 T7 A20 R23 D25 V26Y4-Q18 WeakPolarHBondContact CA-O 3.42Å; R5-Q18 PolarHBondContact N-O 3.07Å; R5-Q18 PolarHBondContact O-N 2.86Å; T7-Q18 HydrophobicContact CG2-CB 3.41Å; T7-Q18 VanDerWaalsContact CG2-CB 3.41Å; T7-Q18 HydrophobicContact CG2-CG 4.46Å; Q18-A20 PolarHBondContact O-N 3.27Å; Q18-R23 PolarHBondContact NE2-O 3.43Å; Q18-D25 WeakPolarHBondContact CA-O 3.34Å; Q18-V26 HydrophobicContact CB-CG2 4.34Å; Q18-V26 HydrophobicContact CG-CG2 4.16Å
19H88.2Confident89Confident23 Ų2384.7 Ų84.711%0.10640%0.403CS..EExtended strand (participates in β ladder)trans-67.7132177.6-170.6-98.1000110.9Y4 K21 R22 D25Y4-H19 HydrophobicContact CD1-CB 4.04Å; Y4-H19 HydrophobicContact CE1-CB 3.8Å; Y4-H19 AromaticContact CE1-CD2 3.93Å; Y4-H19 AromaticContact CZ-CD2 3.84Å; H19-K21 VanDerWaalsContact C-N 3.29Å; H19-K21 PolarHBondContact ND1-N 2.86Å; H19-K21 PolarHBondContact O-N 3.04Å; H19-R22 HydrophobicContact CB-CB 4.1Å; H19-R22 PolarHBondContact ND1-N 3.14Å; H19-R22 CarbonylContact O-C 3.46Å; H19-R22 PolarHBondContact O-N 2.91Å; H19-D25 HydrophobicContact CB-CB 3.93Å; H19-D25 PolarHBondContact N-O 3.4Å
20A82.8Confident89Confident31 Ų3182.3 Ų82.326%0.25639%0.392SS..SBendtrans-59.4-37.2-173.600000113.5P3 Q18 L43P3-A20 HydrophobicContact CG-CB 4.16Å; P3-A20 VanDerWaalsContact O-CB 3.28Å; P3-A20 WeakPolarHBondContact O-CB 3.35Å; P3-A20 PolarHBondContact O-N 3Å; Q18-A20 PolarHBondContact O-N 3.27Å; A20-L43 HydrophobicContact CB-CD2 4.13Å
21K82.8Confident89Confident187 Ų18779.3 Ų79.381%0.81338%0.381SS*.SBendtrans-89.9-26.3178.3-62.6-175.6177-177.10113.8H19H19-K21 VanDerWaalsContact C-N 3.29Å; H19-K21 PolarHBondContact ND1-N 2.86Å; H19-K21 PolarHBondContact O-N 3.04Å
22R83Confident89Confident171 Ų17184 Ų8465%0.64540%0.403SS*.  trans-119.485.8-171-66.1-179.2-176.9-175.8-0.1108.7H19 R24 D25H19-R22 HydrophobicContact CB-CB 4.1Å; H19-R22 PolarHBondContact ND1-N 3.14Å; H19-R22 CarbonylContact O-C 3.46Å; H19-R22 PolarHBondContact O-N 2.91Å; R22-R24 PolarHBondContact O-N 2.99Å; R22-R24 VanDerWaalsContact O-N 3.11Å; R22-D25 HydrophobicContact CB-CB 3.8Å; R22-D25 VanDerWaalsContact O-CB 3.28Å; R22-D25 WeakPolarHBondContact O-CB 3.41Å; R22-D25 PolarHBondContact O-N 3.08Å
23R80.9Confident88.7Confident166 Ų16687.5 Ų87.563%0.62640%0.402SS*.THydrogen-bonded Turntrans-62.2-22.8-174.1-66.6-169.2179.5-159.34.3114.4Q18 D25Q18-R23 PolarHBondContact NE2-O 3.43Å; R23-D25 VanDerWaalsContact C-N 3.26Å
24R86.9Confident88.4Confident251 Ų25187 Ų8795%0.94740%0.397SS*.THydrogen-bonded Turntrans-77.7-14.6175.1-62.3-176.7-177.2173.50.5113R22 V26R22-R24 PolarHBondContact O-N 2.99Å; R22-R24 VanDerWaalsContact O-N 3.11Å; R24-V26 PolarHBondContact O-N 2.85Å
25D85.8Confident88Confident46 Ų4694.6 Ų94.625%0.24643%0.426CS..  trans-88.689.8-179.1-162.620.2000108.9Q18 H19 R22 R23 H27Q18-D25 WeakPolarHBondContact CA-O 3.34Å; H19-D25 HydrophobicContact CB-CB 3.93Å; H19-D25 PolarHBondContact N-O 3.4Å; R22-D25 HydrophobicContact CB-CB 3.8Å; R22-D25 VanDerWaalsContact O-CB 3.28Å; R22-D25 WeakPolarHBondContact O-CB 3.41Å; R22-D25 PolarHBondContact O-N 3.08Å; R23-D25 VanDerWaalsContact C-N 3.26Å; D25-H27 IonicContact OD1-CE1 3.89Å; D25-H27 PolarHBondContact OD1-CE1 3.43Å; D25-H27 IonicContact OD1-NE2 2.85Å; D25-H27 PolarHBondContact OD1-NE2 3.43Å; D25-H27 IonicContact OD2-NE2 3.08Å
26V89.7Confident87.4Confident64 Ų6498.8 Ų98.839%0.38846%0.458SS..EExtended strand (participates in β ladder)trans-116.6131.3-177.6-179.10000108.5R16 I17 Q18 R24R16-V26 HydrophobicContact CG-CG1 3.56Å; I17-V26 CarbonylContact O-C 3.47Å; I17-V26 WeakPolarHBondContact O-CA 3.1Å; Q18-V26 HydrophobicContact CB-CG2 4.34Å; Q18-V26 HydrophobicContact CG-CG2 4.16Å; R24-V26 PolarHBondContact O-N 2.85Å
27H91.4Very high86.4Confident56 Ų5696.7 Ų96.726%0.25946%0.458SS..EExtended strand (participates in β ladder)trans-130.7152.2177.9-56-53.9000110.7Y4 R16 I17 D25 V29Y4-H27 AromaticContact CE1-CD2 3.78Å; R16-H27 CarbonylContact C-O 3.43Å; R16-H27 WeakPolarHBondContact CA-O 3.5Å; I17-H27 HydrophobicContact CD1-CB 4.34Å; I17-H27 HydrophobicContact CG1-CB 3.9Å; I17-H27 WeakPolarHBondContact CG1-O 3.33Å; I17-H27 PolarHBondContact N-O 3.24Å; I17-H27 PolarHBondContact O-N 3.33Å; D25-H27 IonicContact OD1-CE1 3.89Å; D25-H27 PolarHBondContact OD1-CE1 3.43Å; D25-H27 IonicContact OD1-NE2 2.85Å; D25-H27 PolarHBondContact OD1-NE2 3.43Å; D25-H27 IonicContact OD2-NE2 3.08Å; H27-V29 HydrophobicContact CB-CG1 4.13Å
28V92.7Very high85.7Confident89 Ų8999.4 Ų99.454%0.53948%0.477SS..EExtended strand (participates in β ladder)trans-103125.8164.41780000107.2L10 Y15 R16L10-V28 HydrophobicContact CD1-CB 4.38Å; L10-V28 HydrophobicContact CD1-CG1 3.73Å; L10-V28 HydrophobicContact CD1-CG2 3.69Å; Y15-V28 CarbonylContact O-C 3.48Å; Y15-V28 WeakPolarHBondContact O-CA 3.38Å; R16-V28 HydrophobicContact CB-CG2 4.43Å; R16-V28 HydrophobicContact CG-CG2 4.31Å
29V91.3Very high84.6Confident22 Ų22103.4 Ų103.413%0.13351%0.506CS..EExtended strand (participates in β ladder)trans-134.2147.7-175.6-62.50000111.1T14 Y15 I17 H27 L34T14-V29 WeakPolarHBondContact CA-O 3.28Å; Y15-V29 PolarHBondContact N-O 2.75Å; Y15-V29 PolarHBondContact O-N 2.98Å; I17-V29 HydrophobicContact CD1-CB 4.4Å; I17-V29 HydrophobicContact CD1-CG1 3.76Å; I17-V29 HydrophobicContact CD1-CG2 3.69Å; I17-V29 HydrophobicContact CG1-CG1 4.17Å; I17-V29 HydrophobicContact CG1-CG2 3.91Å; I17-V29 HydrophobicContact CG2-CG2 3.91Å; H27-V29 HydrophobicContact CB-CG1 4.13Å; V29-L34 HydrophobicContact CG2-CD1 4.3Å; V29-L34 HydrophobicContact CG2-CD2 3.54Å; V29-L34 HydrophobicContact CG2-CG 3.9Å
30H94.8Very high83.6Confident67 Ų67109.2 Ų109.231%0.3154%0.538SS..EExtended strand (participates in β ladder)trans-73.5151.7169.5-162.7-99.8000110.7V13 D32 R33V13-H30 WeakPolarHBondContact CB-NE2 3.07Å; V13-H30 VanDerWaalsContact CG2-NE2 3.32Å; V13-H30 WeakPolarHBondContact CG2-NE2 3.44Å; V13-H30 CarbonylContact O-C 3.58Å; V13-H30 VanDerWaalsContact O-CA 3.28Å; V13-H30 WeakPolarHBondContact O-CA 3.42Å; V13-H30 PolarHBondContact O-CD2 3.1Å; H30-D32 IonicContact CE1-OD1 3.13Å; H30-D32 IonicContact CE1-OD2 3.96Å; H30-D32 PolarHBondContact CE1-OD2 3.41Å; H30-D32 VanDerWaalsContact ND1-CG 3.26Å; H30-D32 PolarHBondContact ND1-N 3.43Å; H30-D32 IonicContact ND1-OD1 2.71Å; H30-D32 IonicContact ND1-OD2 3.06Å; H30-D32 PolarHBondContact ND1-OD2 3.33Å; H30-D32 PolarHBondContact O-N 3.36Å; H30-R33 WeakPolarHBondContact O-CB 3.36Å; H30-R33 PolarHBondContact O-N 3.37Å
31A88.5Confident82.8Confident34 Ų34111.6 Ų111.628%0.28155%0.546SS..G310 helixtrans-50.7-42.8177.700000112.3V13 Y15 R33 L34V13-A31 PolarHBondContact O-N 2.94Å; Y15-A31 HydrophobicContact CE2-CB 4.11Å; A31-R33 PolarHBondContact O-N 3.4Å; A31-L34 WeakPolarHBondContact O-CB 3.28Å; A31-L34 PolarHBondContact O-N 3.42Å
32D91.5Very high81.6Confident136 Ų136114.1 Ų114.173%0.72755%0.55SS**G310 helixtrans-62.1-18.4-179.7-50.1-27.9000114.2H30H30-D32 IonicContact CE1-OD1 3.13Å; H30-D32 IonicContact CE1-OD2 3.96Å; H30-D32 PolarHBondContact CE1-OD2 3.41Å; H30-D32 VanDerWaalsContact ND1-CG 3.26Å; H30-D32 PolarHBondContact ND1-N 3.43Å; H30-D32 IonicContact ND1-OD1 2.71Å; H30-D32 IonicContact ND1-OD2 3.06Å; H30-D32 PolarHBondContact ND1-OD2 3.33Å; H30-D32 PolarHBondContact O-N 3.36Å
33R85Confident80.6Confident185 Ų185108.4 Ų108.470%0.69853%0.532SS*.G310 helixtrans-91.8-8.4177.4-60.3-173.6-179.5-175.20.6112.6H30 A31H30-R33 WeakPolarHBondContact O-CB 3.36Å; H30-R33 PolarHBondContact O-N 3.37Å; A31-R33 PolarHBondContact O-N 3.4Å
34L85.3Confident79.5Confident55 Ų55104.9 Ų104.929%0.28853%0.531SS..  trans-89137.6174.8-62.9177.6000109.4I6 Y15 I17 V29 A31I6-L34 HydrophobicContact CD1-CD1 4.39Å; Y15-L34 HydrophobicContact CD2-CD1 3.55Å; Y15-L34 HydrophobicContact CE2-CD1 4.19Å; Y15-L34 HydrophobicContact CG-CD1 4.09Å; I17-L34 HydrophobicContact CD1-CD2 4.33Å; I17-L34 HydrophobicContact CG2-CD2 3.98Å; V29-L34 HydrophobicContact CG2-CD1 4.3Å; V29-L34 HydrophobicContact CG2-CD2 3.54Å; V29-L34 HydrophobicContact CG2-CG 3.9Å; A31-L34 WeakPolarHBondContact O-CB 3.28Å; A31-L34 PolarHBondContact O-N 3.42Å
35K84.1Confident77.9Confident196 Ų196101.2 Ų101.285%0.85253%0.525SS*.  trans-106.4139164.9-68.3-169.2173.7-166.10107.8C37K35-C37 PolarHBondContact O-N 2.91Å
36T79.9Confident76.4Confident138 Ų138105.3 Ų105.385%0.84754%0.54SS*.PPolyproline II helixtrans-53.2131171.2-51.60000109.1P38T36-P38 WeakPolarHBondContact O-CD 3.19Å
37C69.3Low74.2Confident63 Ų63106.5 Ų106.543%0.42655%0.551SS.*PPolyproline II helixtrans-70.5125.9175.8-70.90000108.6K35K35-C37 PolarHBondContact O-N 2.91Å
38P75.9Confident71.9Confident66 Ų66107.7 Ų107.743%0.42957%0.571SS.*PPolyproline II helixtrans-56.4142.5169.5-20.630.6000110.2T36 D40 I41T36-P38 WeakPolarHBondContact O-CD 3.19Å; P38-D40 PolarHBondContact O-N 2.77Å; P38-D40 VanDerWaalsContact O-N 3.09Å; P38-I41 HydrophobicContact CB-CG1 4.41Å; P38-I41 HydrophobicContact CG-CD1 4.14Å; P38-I41 HydrophobicContact CG-CG1 4.45Å; P38-I41 PolarHBondContact O-N 3.38Å; P38-I41 VanDerWaalsContact O-N 3.15Å
39P66.6Low69.6Low126 Ų126114.1 Ų114.182%0.81859%0.585SS**THydrogen-bonded Turntrans-60.5-21.3-18025.7-34.2000112.7I41P39-I41 VanDerWaalsContact C-N 3.25Å; P39-I41 PolarHBondContact O-N 3.18Å
40D68.7Low67.4Low144 Ų144120.3 Ų120.377%0.7761%0.613SS**THydrogen-bonded Turntrans-72.1-15.8-179.2-55.3-35.2000113.7P38 R42P38-D40 PolarHBondContact O-N 2.77Å; P38-D40 VanDerWaalsContact O-N 3.09Å; D40-R42 PolarHBondContact O-N 3.02Å
41I65.9Low65.1Low82 Ų82127.2 Ų127.242%0.42165%0.645SS.*SBendtrans-86.296-179.7-53.5-175.6000109.1P3 P38 P39 L43P3-I41 HydrophobicContact CB-CG2 4.2Å; P38-I41 HydrophobicContact CB-CG1 4.41Å; P38-I41 HydrophobicContact CG-CD1 4.14Å; P38-I41 HydrophobicContact CG-CG1 4.45Å; P38-I41 PolarHBondContact O-N 3.38Å; P38-I41 VanDerWaalsContact O-N 3.15Å; P39-I41 VanDerWaalsContact C-N 3.25Å; P39-I41 PolarHBondContact O-N 3.18Å; I41-L43 VanDerWaalsContact C-N 3.27Å; I41-L43 PolarHBondContact O-N 3.04Å
42R56.8Low63Low239 Ų239129 Ų12990%0.90266%0.659SS**  trans-62.686.8169.9-65.3-175.1-178.9-175.80.7110.6D40D40-R42 PolarHBondContact O-N 3.02Å
43L62.9Low60.5Low51 Ų51125.6 Ų125.627%0.26766%0.656SS.*  trans-63131.7160.8-81.7177.8000106.9P3 R5 A20 I41 E45P3-L43 HydrophobicContact CB-CD2 3.6Å; P3-L43 HydrophobicContact CB-CG 4.5Å; P3-L43 HydrophobicContact CG-CD2 4.06Å; R5-L43 HydrophobicContact CG-CD1 4.2Å; R5-L43 HydrophobicContact CG-CD2 4.28Å; A20-L43 HydrophobicContact CB-CD2 4.13Å; I41-L43 VanDerWaalsContact C-N 3.27Å; I41-L43 PolarHBondContact O-N 3.04Å; L43-E45 PolarHBondContact O-N 2.94Å
44P56Low58.5Low92 Ų92125.7 Ų125.760%0.59767%0.667SS**  trans-60.885.3171.221.5-31.3000110.7R5 K46R5-P44 PolarHBondContact NH1-O 3.24Å; R5-P44 PolarHBondContact NH2-O 3.18Å; P44-K46 PolarHBondContact O-N 2.86Å
45E54.2Low56.5Low175 Ų175133.3 Ų133.382%0.81869%0.692SS**  trans-47.8112.9178.4-139.6175.1173.100106L43 S47L43-E45 PolarHBondContact O-N 2.94Å; E45-S47 PolarHBondContact O-N 3.05Å
46K53.9Low54.6Low131 Ų131135.7 Ų135.757%0.5770%0.696SS**  trans-67.8105.1168.1-67.9175.4-174.4178.20100.5P44 A48P44-K46 PolarHBondContact O-N 2.86Å; K46-A48 PolarHBondContact O-N 3.23Å
47S43.3Very low53.1Low89 Ų89136.2 Ų136.262%0.62269%0.689SS**  trans-29.9114.1177.239.60000107.8E45 R49E45-S47 PolarHBondContact O-N 3.05Å; S47-R49 PolarHBondContact O-N 2.94Å
48A44.6Very low51.7Low81 Ų81139.8 Ų139.867%0.66971%0.709SS**  trans-48.392.9146.900000103.6K46 E50K46-A48 PolarHBondContact O-N 3.23Å; A48-E50 PolarHBondContact O-N 2.91Å
49R43.6Very low50.2Low224 Ų224142.2 Ų142.285%0.84573%0.727SS**  trans-66.579.1154.6-84.7-173.3174.8-174.6-1.9102.8S47 H51S47-R49 PolarHBondContact O-N 2.94Å; R49-H51 PolarHBondContact O-N 3.06Å
50E44.8Very low49.2Very low152 Ų152141.6 Ų141.671%0.7172%0.723SS**  trans24.5103.5133.6-66.2-178.9153.300111A48 A52A48-E50 PolarHBondContact O-N 2.91Å; E50-A52 HydrophobicContact CB-CB 3.83Å; E50-A52 PolarHBondContact O-N 3.33Å
51H46.3Very low48Very low213 Ų213145.4 Ų145.499%0.98673%0.727SS**SBendtrans-57.345.6140-82.4-97000111.4R49R49-H51 PolarHBondContact O-N 3.06Å
52A44.9Very low47.5Very low70 Ų70146.8 Ų146.858%0.57974%0.741SS**  trans-107.198.4159.700000103.7E50E50-A52 HydrophobicContact CB-CB 3.83Å; E50-A52 PolarHBondContact O-N 3.33Å
53G38.7Very low46.9Very low65 Ų65141 Ų14167%0.6773%0.734SS**  99.6104.781.500000107.2
54M43.6Very low45.7Very low188 Ų188144 Ų14493%0.92676%0.759SS**  trans47.398144.1-55.2-174.1-173.800117.7
55R42.2Very low44.9Very low214 Ų214143.1 Ų143.181%0.80877%0.767SS**  -179.8109.9117.3-104.4172.1146.7-149.9-4111.5Q57R55-Q57 PolarHBondContact O-N 3.26Å
56R43.7Very low44.8Very low247 Ų247144 Ų14493%0.93277%0.772SS**  trans-56.2116.1151.5-74.1173.8175.2160.4-2.4107.8
57Q49.5Very low44.4Very low149 Ų149142.7 Ų142.770%0.69678%0.776SS**  trans-129.8105152.7-76.6-166.5-1.600108.3R55R55-Q57 PolarHBondContact O-N 3.26Å
58T40Very low44.6Very low138 Ų138144 Ų14485%0.84778%0.776SS**  trans-56.1133.3166.547.90000110.4
59S44.3Very low44.9Very low116 Ų116148 Ų14881%0.81179%0.786SS**  trans-142.4140.8160.6-163.80000109.3
60P45Very low45.4Very low114 Ų114144.6 Ų144.674%0.7478%0.777SS**PPolyproline II helixtrans-90.7150.7-14134.3-33.5000114.2
61R42.9Very low45.1Very low223 Ų223142.6 Ų142.684%0.84278%0.775SS**PPolyproline II helixtrans-56.2130.1171179.3-178.5-172.8-173.22.8111.7
62P55.6Low44.8Very low112 Ų112145.1 Ų145.173%0.72778%0.776SS**PPolyproline II helixtrans-90.9155.2155.430.7-20.5000110.5
63P45.1Very low44.6Very low116 Ų116147.2 Ų147.275%0.75379%0.787SS**PPolyproline II helixtrans-78.7162.6-16132.8-35.1000113.8
64S38.4Very low45Very low114 Ų114147.7 Ų147.780%0.79779%0.792SS**  trans-44.6132.1174.347.20000115.1
65G38.9Very low44.6Very low74 Ų74149.5 Ų149.576%0.76379%0.788SS**  trans176.783.6168.500000115
66Q52.1Low45.1Very low195 Ų195150.8 Ų150.891%0.91179%0.793SS**  trans60.7148.5156.2-80.4-167.1-76.200123.4
67P44.3Very low45.3Very low103 Ų103147.6 Ų147.667%0.66979%0.789SS**  trans-92.9130.9-173.936.3-27.9000111.5
68D48.2Very low45.3Very low115 Ų115145.1 Ų145.162%0.61579%0.794SS**  trans-118.391.4168.4-156.69.4000108.3K70D68-K70 PolarHBondContact O-N 2.87Å; D68-K70 VanDerWaalsContact O-N 3.08Å; D68-K70 WeakPolarHBondContact OD1-CE 3.28Å; D68-K70 IonicContact OD1-NZ 3.73Å; D68-K70 WeakPolarHBondContact OD2-CD 3.44Å; D68-K70 WeakPolarHBondContact OD2-CE 3.32Å; D68-K70 IonicContact OD2-NZ 3.72Å; D68-K70 PolarHBondContact OD2-NZ 2.88Å
69L51.7Low45.6Very low167 Ų167141.8 Ų141.887%0.87479%0.787SS**  trans-69.296.8168.3-93.484.2000107.9
70K52.4Low45.5Very low152 Ų152140.1 Ų140.166%0.66179%0.788SS**  trans-117.1106.8169-79.1175.2179.7154.60111.5D68D68-K70 PolarHBondContact O-N 2.87Å; D68-K70 VanDerWaalsContact O-N 3.08Å; D68-K70 WeakPolarHBondContact OD1-CE 3.28Å; D68-K70 IonicContact OD1-NZ 3.73Å; D68-K70 WeakPolarHBondContact OD2-CD 3.44Å; D68-K70 WeakPolarHBondContact OD2-CE 3.32Å; D68-K70 IonicContact OD2-NZ 3.72Å; D68-K70 PolarHBondContact OD2-NZ 2.88Å
71T39.8Very low46.1Very low110 Ų110145.6 Ų145.668%0.67580%0.795SS**  trans70.9101.9130.2-42.80000118.1
72W39.2Very low47.1Very low266 Ų266141.6 Ų141.6100%1.00879%0.79SS**  trans-122.6100.9141.3-109.529.6000108.5
73S42Very low47.7Very low114 Ų114141.5 Ų141.580%0.79779%0.79SS**  trans-80.4116.2170.643.50000109.2
74G45.9Very low48.9Very low75 Ų75141.1 Ų141.177%0.77380%0.796SS**  trans-151.266.3-177.500000111.9R76G74-R76 PolarHBondContact O-N 2.8Å
75R35.7Very low50Low225 Ų225145.3 Ų145.385%0.84979%0.794SS**  trans-56.1114.7172.1178.3-168.3-74.3-107.82110.6
76R52.4Low51.3Low241 Ų241149.6 Ų149.691%0.90980%0.796SS**  trans-147.3117140.6-104.3-170.9-175.5-87.8-0.8109.6G74 A78G74-R76 PolarHBondContact O-N 2.8Å; R76-A78 PolarHBondContact O-N 2.74Å
77Q47.1Very low52.2Low180 Ų180146.1 Ų146.184%0.84179%0.788SS**  trans-59.5117.7172.1-63.5177.2-4.800109.1
78A50.6Low53Low97 Ų97147.2 Ų147.280%0.80279%0.787SS**  trans-104.3106.3160.800000106.3R76R76-A78 PolarHBondContact O-N 2.74Å
79G45.3Very low53.7Low68 Ų68145.3 Ų145.370%0.70179%0.794SS**  trans-53143.6173.300000110.9Y81G79-Y81 PolarHBondContact O-N 3.06Å; G79-Y81 VanDerWaalsContact O-N 3.15Å
80G44.1Very low53.8Low81 Ų81145.6 Ų145.684%0.83579%0.791SS**  trans-61.8110.9-164.300000113.8
81Y56.9Low53.6Low229 Ų229146 Ų14690%0.89880%0.801SS**  trans-93.2104.4149.3-94.3-92.1000107.2G79G79-Y81 PolarHBondContact O-N 3.06Å; G79-Y81 VanDerWaalsContact O-N 3.15Å
82L64.6Low54.1Low139 Ų139147.5 Ų147.573%0.72881%0.81SS**PPolyproline II helixtrans-68.2128.9163.3-72.3172.8000107.5A84L82-A84 PolarHBondContact O-N 3.13Å
83P68.1Low54.2Low111 Ų111140 Ų14072%0.72180%0.796SS**PPolyproline II helixtrans-60.4137.6172.825.1-31.7000109.1R85P83-R85 PolarHBondContact O-N 3.41Å; P83-R85 VanDerWaalsContact O-N 3.09Å
84A69.5Low54Low107 Ų107141.9 Ų141.988%0.88480%0.803SS**PPolyproline II helixtrans-57.1117176.500000109.6L82L82-A84 PolarHBondContact O-N 3.13Å
85R62.4Low53.8Low202 Ų202145.9 Ų145.976%0.76280%0.802SS**PPolyproline II helixtrans-84.4127.2171.453.7-179.8164.1-104.7-1.9108.8P83P83-R85 PolarHBondContact O-N 3.41Å; P83-R85 VanDerWaalsContact O-N 3.09Å
86M64.9Low54.3Low164 Ų164142.1 Ų142.181%0.80880%0.798SS**  trans-85114172.3-168.7174.969.600107.2I88M86-I88 HydrophobicContact CE-CD1 4.17Å; M86-I88 HydrophobicContact CE-CG1 4.2Å
87V70.6Confident53.7Low122 Ų122136 Ų13674%0.73980%0.799SS**  trans-88.6111.9173.5-168.40000106.4
88I61.1Low53.5Low127 Ų127130.4 Ų130.465%0.65179%0.79SS**  trans-82.9119.8168.2-59.5172.1000104.4M86 E90M86-I88 HydrophobicContact CE-CD1 4.17Å; M86-I88 HydrophobicContact CE-CG1 4.2Å; I88-E90 PolarHBondContact O-N 3.25Å
89G63.5Low53.2Low74 Ų74130.9 Ų130.976%0.76379%0.794SS**  trans-62.4110.6178.300000109.5
90E54.9Low53.4Low173 Ų173136 Ų13681%0.80880%0.8SS**  trans-78.8135.6172.3-69.8169.3170.100109.2I88 V92I88-E90 PolarHBondContact O-N 3.25Å; E90-V92 PolarHBondContact O-N 3.41Å
91D46.2Very low53.7Low161 Ų161139.6 Ų139.686%0.86180%0.799SS**  trans-18111.2172.6-62.7-56.1000116.2C93D91-C93 PolarHBondContact O-N 3.2Å
92V50.5Low53.2Low142 Ų142137.4 Ų137.486%0.86179%0.794SS**  trans-89.699.6159.3-177.50000108.1E90E90-V92 PolarHBondContact O-N 3.41Å
93C42.4Very low52.5Low108 Ų108139.4 Ų139.473%0.7380%0.8SS**  trans13.4111.5152.7-61.70000117.9D91 E95D91-C93 PolarHBondContact O-N 3.2Å; C93-E95 PolarHBondContact O-N 3.09Å; C93-E95 VanDerWaalsContact O-N 3.14Å
94T38Very low51.9Low153 Ų153141.7 Ų141.794%0.93980%0.801SS**  trans-56.498.2156.1-38.80000111.2
95E40.4Very low51.3Low159 Ų159142.7 Ų142.774%0.74380%0.798SS**  trans-150.8145.614968.9176.3-156.600109.4C93C93-E95 PolarHBondContact O-N 3.09Å; C93-E95 VanDerWaalsContact O-N 3.14Å
96N48Very low50.3Low146 Ų146139.2 Ų139.278%0.78181%0.805SS**  trans92.582.1-178-52.1-54.3000115.9G98N96-G98 PolarHBondContact O-N 3.19Å
97A38.3Very low49Very low113 Ų113134.8 Ų134.893%0.93480%0.802SS**  trans-18.5116.3140.400000114.1
98G43Very low47.6Very low63 Ų63134.1 Ų134.165%0.64980%0.802SS**  trans174.779.6174.300000108.8N96 Q100N96-G98 PolarHBondContact O-N 3.19Å; G98-Q100 PolarHBondContact O-N 3.32Å
99A45.5Very low47.3Very low107 Ų107138.7 Ų138.788%0.88481%0.812SS**  trans-62.780.3175.500000110.5L101A99-L101 VanDerWaalsContact C-N 3.28Å; A99-L101 PolarHBondContact O-N 3.15Å; A99-L101 VanDerWaalsContact O-N 3.16Å
100Q49.4Very low46.6Very low175 Ų175141.2 Ų141.282%0.81881%0.814SS**  trans-81.886.9162.7-71-168.768.300107.1G98 F102G98-Q100 PolarHBondContact O-N 3.32Å; Q100-F102 PolarHBondContact O-N 3.09Å
101L49.7Very low46.5Very low156 Ų156138.9 Ų138.982%0.81781%0.812SS**  trans-46.3109.3159.5-112.4147.5000107.5A99 E103A99-L101 VanDerWaalsContact C-N 3.28Å; A99-L101 PolarHBondContact O-N 3.15Å; A99-L101 VanDerWaalsContact O-N 3.16Å; L101-E103 VanDerWaalsContact C-N 3.35Å; L101-E103 PolarHBondContact O-N 3.3Å
102F47.4Very low47Very low183 Ų183138.8 Ų138.880%0.80381%0.81SS**  trans-62.3102.2166.9-83.7-93.9000107.1Q100 H104Q100-F102 PolarHBondContact O-N 3.09Å; F102-H104 VanDerWaalsContact C-N 3.34Å; F102-H104 PolarHBondContact O-N 2.86Å
103E49.6Very low47.1Very low182 Ų182137.3 Ų137.385%0.8581%0.806SS**  trans-63.998.5167-73.5-160.7163.200108.1L101L101-E103 VanDerWaalsContact C-N 3.35Å; L101-E103 PolarHBondContact O-N 3.3Å
104H54.1Low47.8Very low159 Ų159141.9 Ų141.974%0.73681%0.814SS**  trans-61.5130.4161.2-69.8-83.1000107.4F102 S106F102-H104 VanDerWaalsContact C-N 3.34Å; F102-H104 PolarHBondContact O-N 2.86Å; H104-S106 PolarHBondContact O-N 3.02Å
105P58.3Low48.3Very low128 Ų128140.8 Ų140.883%0.83180%0.798SS**  trans-65.189.7171.525.8-31.5000108.4G107P105-G107 PolarHBondContact O-N 2.82Å; P105-G107 VanDerWaalsContact O-N 3.07Å
106S40.9Very low49.4Very low128 Ų128143.4 Ų143.490%0.89580%0.801SS**  trans-76.189.6175.6-158.40000106.8H104H104-S106 PolarHBondContact O-N 3.02Å
107G37.3Very low49.8Very low72 Ų72141.9 Ų141.974%0.74280%0.799SS**  trans162.750.2-175.600000115.3P105P105-G107 PolarHBondContact O-N 2.82Å; P105-G107 VanDerWaalsContact O-N 3.07Å
108S42.2Very low51Low108 Ų108145.3 Ų145.376%0.75579%0.788SS**  trans-153.4128.415457.70000110.3
109R53.6Low51.9Low223 Ų223153.4 Ų153.484%0.84280%0.799SS**  trans-43.9152170-76.6171.9144.8-170.3-6.7110.1V111R109-V111 PolarHBondContact O-N 3.39Å
110P49.9Very low52.6Low127 Ų127152.3 Ų152.383%0.82579%0.79SS**  trans-60.994.1173.426.4-31.9000108.3L112P110-L112 VanDerWaalsContact C-N 3.33Å; P110-L112 PolarHBondContact O-N 3.39Å
111V52.4Low53.3Low124 Ų124150.3 Ų150.375%0.75279%0.79SS**  trans-67.4104.8166.5175.90000103.1R109 S113R109-V111 PolarHBondContact O-N 3.39Å; V111-S113 PolarHBondContact O-N 2.75Å
112L55.5Low54Low159 Ų159151.1 Ų151.183%0.83278%0.782SS**  trans-36.9108.6170.9-71.6166.7000107.2P110 K114P110-L112 VanDerWaalsContact C-N 3.33Å; P110-L112 PolarHBondContact O-N 3.39Å; L112-K114 PolarHBondContact O-N 3.35Å
113S53Low54.8Low110 Ų110147.1 Ų147.177%0.76977%0.774SS**  trans-53.4114.3178.137.50000105.8V111 E115V111-S113 PolarHBondContact O-N 2.75Å; S113-E115 PolarHBondContact O-N 3.2Å
114K57.1Low55.7Low204 Ų204141.1 Ų141.189%0.88775%0.751SS**  trans-45.8112.3174.9-80.3-179.1176.4176.30106.2L112 R116L112-K114 PolarHBondContact O-N 3.35Å; K114-R116 PolarHBondContact O-N 2.99Å
115E49.5Very low56.4Low130 Ų130136.4 Ų136.461%0.60774%0.736SS**  trans-51.8109.6-175-173.7173.5177.900106.9S113 R118S113-E115 PolarHBondContact O-N 3.2Å; E115-R118 IonicContact OE1-CZ 3.2Å; E115-R118 IonicContact OE1-NE 2.72Å; E115-R118 PolarHBondContact OE1-NE 3.02Å; E115-R118 IonicContact OE1-NH2 2.8Å; E115-R118 PolarHBondContact OE1-NH2 2.8Å
116R62.4Low56.4Low215 Ų215139.2 Ų139.281%0.81173%0.729SS**PPolyproline II helixtrans-52.6129.4179.4-173.1179.7-175.3133.22.3105.9K114 R118K114-R116 PolarHBondContact O-N 2.99Å; R116-R118 PolarHBondContact O-N 3.48Å
117P56.4Low57.4Low114 Ų114139.6 Ų139.674%0.7472%0.715SS**PPolyproline II helixtrans-48.7117.9-174.914.7-28.4000108.8R119P117-R119 PolarHBondContact O-N 2.91Å
118R63.3Low58.7Low185 Ų185140.6 Ų140.670%0.69872%0.716SS**PPolyproline II helixtrans-53.2120.9-179.6-68.8-173.4-176.4-165.81.8106.5E115 R116 A120E115-R118 IonicContact OE1-CZ 3.2Å; E115-R118 IonicContact OE1-NE 2.72Å; E115-R118 PolarHBondContact OE1-NE 3.02Å; E115-R118 IonicContact OE1-NH2 2.8Å; E115-R118 PolarHBondContact OE1-NH2 2.8Å; R116-R118 PolarHBondContact O-N 3.48Å; R118-A120 PolarHBondContact O-N 2.88Å; R118-A120 VanDerWaalsContact O-N 3.15Å
119R63.4Low59.9Low232 Ų232139.4 Ų139.488%0.87570%0.701SS**PPolyproline II helixtrans-50.2127.3172.4-77.6-178.4172.6-170.4-1.7106.9P117 T121P117-R119 PolarHBondContact O-N 2.91Å; R119-T121 PolarHBondContact O-N 3.23Å
120A60.4Low60.2Low85 Ų85134.2 Ų134.270%0.70268%0.683SS**  trans-30.1123.4-16700000113.4R118 R122R118-A120 PolarHBondContact O-N 2.88Å; R118-A120 VanDerWaalsContact O-N 3.15Å; A120-R122 HydrophobicContact CB-CB 4.47Å; A120-R122 PolarHBondContact O-N 3.44Å
121T62.2Low61.2Low132 Ų132136 Ų13681%0.8168%0.684SS**  trans-64.919.7170.640.20000113.2R119 P123R119-T121 PolarHBondContact O-N 3.23Å; T121-P123 WeakPolarHBondContact O-CD 3.17Å
122R65.4Low61.8Low173 Ų173135.7 Ų135.765%0.65368%0.677SS**  trans-67.8123.6169.7-170.7-175.1-179.9175.12.4106.4A120 C125A120-R122 HydrophobicContact CB-CB 4.47Å; A120-R122 PolarHBondContact O-N 3.44Å; R122-C125 PolarHBondContact NE-SG 3.21Å; R122-C125 VanDerWaalsContact NE-SG 3.43Å; R122-C125 PolarHBondContact NH2-SG 3.22Å
123P64.3Low62.2Low100 Ų100136.6 Ų136.665%0.64968%0.676SS**  trans-55.5135.9170.324-32.1000107.6T121 C125T121-P123 WeakPolarHBondContact O-CD 3.17Å; P123-C125 PolarHBondContact O-N 2.78Å
124P68.1Low62.5Low56 Ų56137.2 Ų137.236%0.36468%0.676SS.*  trans-49.2114.7177.318.5-31.3000108.5D129 Y130P124-D129 HydrophobicContact CB-CB 3.48Å; P124-D129 VanDerWaalsContact CB-CB 3.48Å; P124-Y130 HydrophobicContact CB-CD1 4.4Å; P124-Y130 HydrophobicContact CB-CD2 4.24Å; P124-Y130 HydrophobicContact CB-CE1 3.91Å; P124-Y130 HydrophobicContact CB-CE2 3.75Å; P124-Y130 HydrophobicContact CG-CD1 4.29Å; P124-Y130 HydrophobicContact CG-CE1 3.49Å; P124-Y130 VanDerWaalsContact CG-CE1 3.49Å; P124-Y130 HydrophobicContact CG-CE2 4.14Å; P124-Y130 VanDerWaalsContact CG-CZ 3.42Å; P124-Y130 WeakPolarHBondContact CG-OH 3.4Å
125C68Low62.5Low60 Ų60136.3 Ų136.341%0.40568%0.675SS.*  trans-102-19.5-169.3690000110.9R122 P123 D129R122-C125 PolarHBondContact NE-SG 3.21Å; R122-C125 VanDerWaalsContact NE-SG 3.43Å; R122-C125 PolarHBondContact NH2-SG 3.22Å; P123-C125 PolarHBondContact O-N 2.78Å; C125-D129 PolarHBondContact N-OD2 2.69Å; C125-D129 PolarHBondContact SG-OD2 2.72Å; C125-D129 VanDerWaalsContact SG-OD2 3.4Å
126R59.8Low62.9Low186 Ų186141.2 Ų141.270%0.70269%0.688SS**SBendtrans-125.3150177.6-70.4176.5176.2-179.4-1108.8A128 D129R126-A128 PolarHBondContact O-N 3.11Å; R126-A128 VanDerWaalsContact O-N 3.1Å; R126-D129 PolarHBondContact N-OD2 2.65Å; R126-D129 VanDerWaalsContact O-CB 3.29Å; R126-D129 WeakPolarHBondContact O-CB 3.43Å; R126-D129 PolarHBondContact O-N 3.15Å
127F60.5Low62.6Low137 Ų137139.9 Ų139.960%0.60169%0.69SS**G310 helixtrans-57.8-27.4179.7-170.7-98.5000113D129 Y130 I132F127-D129 PolarHBondContact O-N 2.88Å; F127-Y130 PolarHBondContact O-N 2.74Å; F127-I132 HydrophobicContact CE1-CD1 3.92Å; F127-I132 HydrophobicContact CZ-CD1 4.04Å
128A65.7Low62.7Low92 Ų92145.7 Ų145.776%0.7670%0.697SS**G310 helixtrans-69.8-13.9176.100000114.3R126 Y130R126-A128 PolarHBondContact O-N 3.11Å; R126-A128 VanDerWaalsContact O-N 3.1Å; A128-Y130 PolarHBondContact O-N 2.93Å
129D67.2Low62.4Low83 Ų83148 Ų14844%0.44471%0.706SS.*G310 helixtrans-78.7-7.8178.1-57.3-26000111.8P124 C125 R126 F127P124-D129 HydrophobicContact CB-CB 3.48Å; P124-D129 VanDerWaalsContact CB-CB 3.48Å; C125-D129 PolarHBondContact N-OD2 2.69Å; C125-D129 PolarHBondContact SG-OD2 2.72Å; C125-D129 VanDerWaalsContact SG-OD2 3.4Å; R126-D129 PolarHBondContact N-OD2 2.65Å; R126-D129 VanDerWaalsContact O-CB 3.29Å; R126-D129 WeakPolarHBondContact O-CB 3.43Å; R126-D129 PolarHBondContact O-N 3.15Å; F127-D129 PolarHBondContact O-N 2.88Å
130Y59.5Low61.9Low115 Ų115145.3 Ų145.345%0.45170%0.703SS.*SBendtrans-97.3127.6177.9-62.3-85.1000111.3P124 F127 A128 I132P124-Y130 HydrophobicContact CB-CD1 4.4Å; P124-Y130 HydrophobicContact CB-CD2 4.24Å; P124-Y130 HydrophobicContact CB-CE1 3.91Å; P124-Y130 HydrophobicContact CB-CE2 3.75Å; P124-Y130 HydrophobicContact CG-CD1 4.29Å; P124-Y130 HydrophobicContact CG-CE1 3.49Å; P124-Y130 VanDerWaalsContact CG-CE1 3.49Å; P124-Y130 HydrophobicContact CG-CE2 4.14Å; P124-Y130 VanDerWaalsContact CG-CZ 3.42Å; P124-Y130 WeakPolarHBondContact CG-OH 3.4Å; F127-Y130 PolarHBondContact O-N 2.74Å; A128-Y130 PolarHBondContact O-N 2.93Å; Y130-I132 PolarHBondContact O-N 2.95Å
131I70.7Confident61.8Low165 Ų165149.4 Ų149.485%0.84671%0.708SS**  trans-76.4113.4167.7-57.8176.1000107.3E133I131-E133 PolarHBondContact O-N 2.82Å
132I65.7Low61.5Low117 Ų117149.6 Ų149.660%0.670%0.704SS**  trans-86.9104173.5-55.5174.6000106.8F127 Y130 T134F127-I132 HydrophobicContact CE1-CD1 3.92Å; F127-I132 HydrophobicContact CZ-CD1 4.04Å; Y130-I132 PolarHBondContact O-N 2.95Å; I132-T134 PolarHBondContact O-N 3.43Å
133E64Low61.2Low177 Ų177148.6 Ų148.683%0.82771%0.708SS**  trans-67.1115.2172.4-168.3172.5-166.600109I131 Q135I131-E133 PolarHBondContact O-N 2.82Å; E133-Q135 PolarHBondContact O-N 2.76Å
134T59.4Low61.1Low123 Ų123149.1 Ų149.176%0.75571%0.71SS**  trans-7593.6172.240.50000108.2I132 R136I132-T134 PolarHBondContact O-N 3.43Å; T134-R136 PolarHBondContact O-N 3.33Å
135Q56.3Low60.8Low186 Ų186154.3 Ų154.387%0.86973%0.727SS**  trans-63.2103.7174.3-161.5176.230.100108.9E133 H137E133-Q135 PolarHBondContact O-N 2.76Å; Q135-H137 PolarHBondContact O-N 2.7Å
136R57.4Low60.6Low233 Ų233156.3 Ų156.388%0.87974%0.739SS**  trans-62.9119.2169.6-77.5-178.8159-175.6-5.2107.6T134 R138T134-R136 PolarHBondContact O-N 3.33Å; R136-R138 PolarHBondContact O-N 3.28Å
137H57.9Low60.5Low186 Ų186159.1 Ų159.186%0.86175%0.75SS**  trans-54.4104.4172-114.9-88.8000109.1Q135 R139Q135-H137 PolarHBondContact O-N 2.7Å; H137-R139 PolarHBondContact O-N 3.28Å
138R56.9Low60.3Low237 Ų237162.6 Ų162.689%0.89477%0.765SS**  trans-67.9124.1160.4-110.1-176.2177.2162.5-0.5106.4R136R136-R138 PolarHBondContact O-N 3.28Å
139R57.3Low59.9Low233 Ų233165.4 Ų165.488%0.87980%0.803SS**  trans-61137.9178.2-68.3-179.6176.5-179.9-1.6108.6H137 E141H137-R139 PolarHBondContact O-N 3.28Å; R139-E141 PolarHBondContact O-N 3.08Å
140H53.5Low59.6Low175 Ų175169.6 Ų169.681%0.8182%0.821SS**  trans-65104.6176.6-179.8-74.6000108.6
141E57.3Low59.6Low172 Ų172172.4 Ų172.480%0.80484%0.841SS**  trans-85118.5169.2-69.8-169.4172.200109.3R139 M143R139-E141 PolarHBondContact O-N 3.08Å; E141-M143 PolarHBondContact O-N 2.71Å
142D55.7Low58.9Low136 Ų136172.8 Ų172.873%0.72784%0.84SS**  trans5.3100.6152.2-59.9-38.8000117.6
143M59.1Low58.6Low151 Ų151176.1 Ų176.174%0.74485%0.854SS**  trans-101.372.6155.3-72.6-78.3-102.300108.3E141 F145E141-M143 PolarHBondContact O-N 2.71Å; M143-F145 HydrophobicContact CB-CD2 4.45Å; M143-F145 HydrophobicContact CB-CE2 4.1Å; M143-F145 HydrophobicContact CE-CE2 3.62Å; M143-F145 HydrophobicContact CE-CZ 3.78Å; M143-F145 HydrophobicContact CG-CE2 4.48Å; M143-F145 HydrophobicContact SD-CE2 3.74Å; M143-F145 HydrophobicContact SD-CZ 3.91Å
144T62.4Low58.2Low112 Ų112176.1 Ų176.169%0.68786%0.856SS**  trans-76.8110.5164.2-60.20000107.7
145F61.6Low58.1Low164 Ų164179.6 Ų179.672%0.71986%0.863SS**  trans-111.2115.3165-72-77.8000109.6M143M143-F145 HydrophobicContact CB-CD2 4.45Å; M143-F145 HydrophobicContact CB-CE2 4.1Å; M143-F145 HydrophobicContact CE-CE2 3.62Å; M143-F145 HydrophobicContact CE-CZ 3.78Å; M143-F145 HydrophobicContact CG-CE2 4.48Å; M143-F145 HydrophobicContact SD-CE2 3.74Å; M143-F145 HydrophobicContact SD-CZ 3.91Å
146P64.8Low58.3Low103 Ų103179.1 Ų179.167%0.66986%0.862SS**  trans-95.3135.2166.635.4-26.5000109.4
147R58.5Low58.3Low245 Ų245175 Ų17593%0.92586%0.861SS**  162.3133.2114.8-91.3-178.7167.5-145-2.3112.2
148K55.4Low58.4Low209 Ų209174.1 Ų174.191%0.90986%0.861SS**  trans-44.9140.4157.6-78.5178.4161.3-1760112.3
149G57.9Low58.5Low152 Ų152168.4 Ų168.4100%1.56786%0.858SS**  trans-123.30140.900000107.1

Retrieved 149 of 149 residues in 41.1 ms (Link to these results)