A0A077ZJC1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZJC1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 137 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
1M49Very low74.5Confident243 Ų243108.9 Ų108.9100%1.19758%0.584SS**  0133.10-71.1-17715200107.1
2S64.4Low74.1Confident70 Ų70109.2 Ų109.249%0.4958%0.584SS.*  trans-83125.3-162.9-175.40000110.8K4 D5S2-K4 PolarHBondContact O-N 2.54Å; S2-D5 PolarHBondContact O-N 2.74Å
3S78.1Confident74.1Confident84 Ų84109.4 Ų109.459%0.58758%0.579SS**Hα-helixtrans-51.5-17.4-179.6164.50000115.2I7S3-I7 WeakPolarHBondContact O-CG1 2.96Å; S3-I7 PolarHBondContact O-N 3Å
4K73.2Confident73.7Confident160 Ų160106.1 Ų106.170%0.69657%0.569SS**Hα-helixtrans-69.6-32.9175.9-69.8-177.6177.3177.20113.2S2 D6 I7 V8S2-K4 PolarHBondContact O-N 2.54Å; K4-D6 VanDerWaalsContact C-N 3.32Å; K4-I7 PolarHBondContact O-N 3.06Å; K4-V8 WeakPolarHBondContact O-CG2 3.25Å; K4-V8 PolarHBondContact O-N 3.25Å
5D79.4Confident72.5Confident100 Ų100107.3 Ų107.354%0.53557%0.57SS.*Hα-helixtrans-70.3-33.2-178.6-61.9-39.6000111.3S2 R9S2-D5 PolarHBondContact O-N 2.74Å; D5-R9 WeakPolarHBondContact O-CB 3.4Å; D5-R9 PolarHBondContact O-N 3.32Å
6D82.8Confident71.5Confident79 Ų79106.4 Ų106.442%0.42257%0.57SS.*Hα-helixtrans-72-38.7177.4-66-34.7000111.8K4 V8 R9 T10K4-D6 VanDerWaalsContact C-N 3.32Å; D6-V8 VanDerWaalsContact C-N 3.34Å; D6-V8 PolarHBondContact O-N 3.27Å; D6-R9 PolarHBondContact O-N 2.81Å; D6-R9 IonicContact OD1-CZ 3.27Å; D6-R9 IonicContact OD1-NH1 3.4Å; D6-R9 PolarHBondContact OD1-NH1 2.91Å; D6-T10 WeakPolarHBondContact O-CB 3.43Å; D6-T10 PolarHBondContact O-N 2.79Å; D6-T10 PolarHBondContact O-OG1 3.01Å
7I79.1Confident70.7Confident112 Ų112109.8 Ų109.857%0.57458%0.581SS**Hα-helixtrans-61.9-43176.4-64168.1000111S3 K4 A11S3-I7 WeakPolarHBondContact O-CG1 2.96Å; S3-I7 PolarHBondContact O-N 3Å; K4-I7 PolarHBondContact O-N 3.06Å; I7-A11 WeakPolarHBondContact O-CB 3.41Å; I7-A11 PolarHBondContact O-N 2.73Å
8V78.9Confident69.9Low88 Ų88106.7 Ų106.753%0.53357%0.57SS.*Hα-helixtrans-66.6-41.7177.9176.10000110.7K4 D6 A11 L12K4-V8 WeakPolarHBondContact O-CG2 3.25Å; K4-V8 PolarHBondContact O-N 3.25Å; D6-V8 VanDerWaalsContact C-N 3.34Å; D6-V8 PolarHBondContact O-N 3.27Å; V8-A11 PolarHBondContact O-N 3.47Å; V8-L12 HydrophobicContact CG1-CD1 4.01Å; V8-L12 WeakPolarHBondContact O-CG 3.37Å; V8-L12 PolarHBondContact O-N 3.07Å
9R78.8Confident69.1Low131 Ų131108.2 Ų108.249%0.49457%0.574SS.*Hα-helixtrans-62.6-48.4177.1-167.9-174.6-60.31247.4111.5D5 D6 A11 L12 E13D5-R9 WeakPolarHBondContact O-CB 3.4Å; D5-R9 PolarHBondContact O-N 3.32Å; D6-R9 PolarHBondContact O-N 2.81Å; D6-R9 IonicContact OD1-CZ 3.27Å; D6-R9 IonicContact OD1-NH1 3.4Å; D6-R9 PolarHBondContact OD1-NH1 2.91Å; R9-A11 VanDerWaalsContact C-N 3.33Å; R9-A11 PolarHBondContact O-N 2.79Å; R9-L12 PolarHBondContact O-N 2.96Å; R9-E13 WeakPolarHBondContact CD-OE1 3.25Å; R9-E13 HydrophobicContact CG-CG 4.46Å; R9-E13 WeakPolarHBondContact CG-OE1 3.48Å; R9-E13 WeakPolarHBondContact O-CB 3.14Å; R9-E13 WeakPolarHBondContact O-CG 3.41Å; R9-E13 PolarHBondContact O-N 2.82Å
10T78.7Confident68.5Low89 Ų89107.3 Ų107.355%0.54658%0.576SS.*Hα-helixtrans-62.9-38.9178.2-53.60000112.1D6 S14D6-T10 WeakPolarHBondContact O-CB 3.43Å; D6-T10 PolarHBondContact O-N 2.79Å; D6-T10 PolarHBondContact O-OG1 3.01Å; T10-S14 WeakPolarHBondContact O-CB 3.33Å; T10-S14 PolarHBondContact O-N 3.18Å; T10-S14 PolarHBondContact O-OG 3.27Å
11A76.8Confident67.9Low42 Ų42104.7 Ų104.735%0.34757%0.57SS.*Hα-helixtrans-63.2-44.3174.900000111.7I7 V8 R9 S14 H15I7-A11 WeakPolarHBondContact O-CB 3.41Å; I7-A11 PolarHBondContact O-N 2.73Å; V8-A11 PolarHBondContact O-N 3.47Å; R9-A11 VanDerWaalsContact C-N 3.33Å; R9-A11 PolarHBondContact O-N 2.79Å; A11-S14 PolarHBondContact O-N 3.41Å; A11-S14 PolarHBondContact O-OG 3.1Å; A11-H15 PolarHBondContact O-CD2 3.12Å; A11-H15 PolarHBondContact O-N 3.17Å
12L69.9Low68.1Low112 Ų11299.2 Ų99.259%0.58654%0.541SS*.Hα-helixtrans-67.3-42.4178.1-72.4171.9000112.7V8 R9 S14 H15 T16V8-L12 HydrophobicContact CG1-CD1 4.01Å; V8-L12 WeakPolarHBondContact O-CG 3.37Å; V8-L12 PolarHBondContact O-N 3.07Å; R9-L12 PolarHBondContact O-N 2.96Å; L12-S14 VanDerWaalsContact C-N 3.29Å; L12-S14 PolarHBondContact O-N 2.92Å; L12-H15 PolarHBondContact O-N 2.88Å; L12-H15 VanDerWaalsContact O-N 3.13Å; L12-T16 PolarHBondContact O-N 2.95Å
13E74.2Confident67.7Low112 Ų112102.7 Ų102.752%0.52355%0.55SS..Hα-helixtrans-60.1-41.1175.7-74.9170.3-17800110.7R9 H15 T16R9-E13 WeakPolarHBondContact CD-OE1 3.25Å; R9-E13 HydrophobicContact CG-CG 4.46Å; R9-E13 WeakPolarHBondContact CG-OE1 3.48Å; R9-E13 WeakPolarHBondContact O-CB 3.14Å; R9-E13 WeakPolarHBondContact O-CG 3.41Å; R9-E13 PolarHBondContact O-N 2.82Å; E13-H15 VanDerWaalsContact C-N 3.27Å; E13-H15 PolarHBondContact O-N 3.41Å; E13-T16 PolarHBondContact O-N 3.22Å; E13-T16 PolarHBondContact O-OG1 3.39Å
14S69.1Low66.7Low63 Ų63105.5 Ų105.544%0.44155%0.554SS.*Hα-helixtrans-65.7-25.3176.473.70000114.5T10 A11 L12T10-S14 WeakPolarHBondContact O-CB 3.33Å; T10-S14 PolarHBondContact O-N 3.18Å; T10-S14 PolarHBondContact O-OG 3.27Å; A11-S14 PolarHBondContact O-N 3.41Å; A11-S14 PolarHBondContact O-OG 3.1Å; L12-S14 VanDerWaalsContact C-N 3.29Å; L12-S14 PolarHBondContact O-N 2.92Å
15H55.8Low65.9Low125 Ų125101.5 Ų101.558%0.57954%0.542SS*.Hα-helixtrans-79.9-25.9176.8-78.7-61.9000113A11 L12 E13 E17 S18A11-H15 PolarHBondContact O-CD2 3.12Å; A11-H15 PolarHBondContact O-N 3.17Å; L12-H15 PolarHBondContact O-N 2.88Å; L12-H15 VanDerWaalsContact O-N 3.13Å; E13-H15 VanDerWaalsContact C-N 3.27Å; E13-H15 PolarHBondContact O-N 3.41Å; H15-E17 VanDerWaalsContact C-N 3.26Å; H15-E17 PolarHBondContact O-N 2.73Å; H15-S18 WeakPolarHBondContact O-CB 3.4Å; H15-S18 PolarHBondContact O-N 3.05Å
16T56.4Low64.9Low93 Ų93101.5 Ų101.557%0.57154%0.542SS*.Hα-helixtrans-67.7-26.4176.558.90000113L12 E13 S18L12-T16 PolarHBondContact O-N 2.95Å; E13-T16 PolarHBondContact O-N 3.22Å; E13-T16 PolarHBondContact O-OG1 3.39Å; T16-S18 PolarHBondContact O-N 2.97Å
17E57.3Low63.8Low163 Ų163101 Ų10176%0.76255%0.545SS*.THydrogen-bonded Turntrans-73.2-15.7172.7-63.6-174.8171.600112.8H15H15-E17 VanDerWaalsContact C-N 3.26Å; H15-E17 PolarHBondContact O-N 2.73Å
18S57.1Low63.1Low55 Ų5598.7 Ų98.739%0.38554%0.539SS..THydrogen-bonded Turntrans-86.8-10.9178.6-68.30000114.4H15 T16 S20 A21 E22H15-S18 WeakPolarHBondContact O-CB 3.4Å; H15-S18 PolarHBondContact O-N 3.05Å; T16-S18 PolarHBondContact O-N 2.97Å; S18-S20 PolarHBondContact O-N 2.98Å; S18-A21 WeakPolarHBondContact O-CB 3.28Å; S18-A21 PolarHBondContact O-N 2.89Å; S18-E22 PolarHBondContact O-N 3.32Å; S18-E22 VanDerWaalsContact O-N 3.12Å
19E54.3Low62Low135 Ų13598.2 Ų98.263%0.63153%0.532SS*.Hα-helixtrans-60.3-29.4174.3-81.9-173.5157.800112E22 Q23E19-E22 PolarHBondContact O-N 3.41Å; E19-Q23 PolarHBondContact O-N 3.49Å
20S56.6Low61Low89 Ų8997.9 Ų97.962%0.62254%0.54SS*.Hα-helixtrans-70.1-32173.7-64.30000112.7S18S18-S20 PolarHBondContact O-N 2.98Å
21A56.7Low60.4Low54 Ų5498.5 Ų98.545%0.44655%0.548SS..Hα-helixtrans-73.5-34.2177.200000111.6S18 Q23 E24 T25S18-A21 WeakPolarHBondContact O-CB 3.28Å; S18-A21 PolarHBondContact O-N 2.89Å; A21-Q23 VanDerWaalsContact C-N 3.3Å; A21-Q23 PolarHBondContact O-N 3.01Å; A21-E24 PolarHBondContact O-N 3.34Å; A21-T25 PolarHBondContact O-N 3.4Å; A21-T25 PolarHBondContact O-OG1 2.83Å
22E52.4Low59.6Low127 Ų127103 Ų10359%0.59357%0.566SS**Hα-helixtrans-62.3-38176.8-67.9-165.5173.600111.8S18 E19 T25 L26S18-E22 PolarHBondContact O-N 3.32Å; S18-E22 VanDerWaalsContact O-N 3.12Å; E19-E22 PolarHBondContact O-N 3.41Å; E22-T25 VanDerWaalsContact CA-OG1 3.25Å; E22-T25 WeakPolarHBondContact CA-OG1 3.44Å; E22-T25 PolarHBondContact O-N 3.32Å; E22-T25 PolarHBondContact O-OG1 3.26Å; E22-L26 WeakPolarHBondContact O-CG 3.4Å; E22-L26 PolarHBondContact O-N 2.95Å
23Q56.7Low59.1Low143 Ų143102.5 Ų102.567%0.66856%0.563SS**Hα-helixtrans-65.5-38.8177.2-122115.563.100113.4E19 A21 S27E19-Q23 PolarHBondContact O-N 3.49Å; A21-Q23 VanDerWaalsContact C-N 3.3Å; A21-Q23 PolarHBondContact O-N 3.01Å; Q23-S27 PolarHBondContact O-N 2.99Å; Q23-S27 PolarHBondContact O-OG 3.12Å
24E56.2Low58.2Low144 Ų144102 Ų10267%0.67357%0.57SS**Hα-helixtrans-70.6-36.8174.4-75.9-170.6167.500112.2A21 S27 S28A21-E24 PolarHBondContact O-N 3.34Å; E24-S27 PolarHBondContact O-OG 2.92Å; E24-S28 WeakPolarHBondContact O-CB 3.33Å; E24-S28 PolarHBondContact O-N 3.49Å; E24-S28 VanDerWaalsContact O-N 3.1Å; E24-S28 PolarHBondContact O-OG 3.22Å
25T57.2Low57.6Low75 Ų75102.8 Ų102.846%0.4659%0.588SS.*Hα-helixtrans-67.7-39.4175.437.40000112.8A21 E22 S28 I29A21-T25 PolarHBondContact O-N 3.4Å; A21-T25 PolarHBondContact O-OG1 2.83Å; E22-T25 VanDerWaalsContact CA-OG1 3.25Å; E22-T25 WeakPolarHBondContact CA-OG1 3.44Å; E22-T25 PolarHBondContact O-N 3.32Å; E22-T25 PolarHBondContact O-OG1 3.26Å; T25-S28 PolarHBondContact O-N 2.97Å; T25-I29 WeakPolarHBondContact O-CB 3.43Å; T25-I29 WeakPolarHBondContact O-CD1 3.49Å; T25-I29 WeakPolarHBondContact O-CG1 3.42Å; T25-I29 PolarHBondContact O-N 2.85Å
26L57.4Low57.4Low101 Ų101103 Ų10353%0.52959%0.592SS.*Hα-helixtrans-63.1-45.7179.6-72.6172.7000111.8E22 S28 I29 D30E22-L26 WeakPolarHBondContact O-CG 3.4Å; E22-L26 PolarHBondContact O-N 2.95Å; L26-S28 VanDerWaalsContact C-N 3.3Å; L26-S28 PolarHBondContact O-N 3.22Å; L26-I29 PolarHBondContact O-N 2.72Å; L26-D30 PolarHBondContact O-N 3.47Å
27S61.1Low57.2Low68 Ų68103.7 Ų103.748%0.47660%0.598SS.*Hα-helixtrans-65.7-32.9176.840.50000112.7Q23 E24 S31Q23-S27 PolarHBondContact O-N 2.99Å; Q23-S27 PolarHBondContact O-OG 3.12Å; E24-S27 PolarHBondContact O-OG 2.92Å; S27-S31 PolarHBondContact O-N 3.25Å; S27-S31 PolarHBondContact O-OG 3.44Å
28S64.5Low57.1Low64 Ų64101.7 Ų101.745%0.44859%0.592SS.*Hα-helixtrans-69.8-38.8171.5-630000112.7E24 T25 L26 S31 L32E24-S28 WeakPolarHBondContact O-CB 3.33Å; E24-S28 PolarHBondContact O-N 3.49Å; E24-S28 VanDerWaalsContact O-N 3.1Å; E24-S28 PolarHBondContact O-OG 3.22Å; T25-S28 PolarHBondContact O-N 2.97Å; L26-S28 VanDerWaalsContact C-N 3.3Å; L26-S28 PolarHBondContact O-N 3.22Å; S28-S31 WeakPolarHBondContact O-CB 3.18Å; S28-S31 PolarHBondContact O-N 2.99Å; S28-L32 VanDerWaalsContact O-CG 3.25Å; S28-L32 WeakPolarHBondContact O-CG 3.41Å; S28-L32 PolarHBondContact O-N 2.9Å
29I56Low57.1Low78 Ų78105 Ų10540%0.460%0.601SS.*Hα-helixtrans-66.1-43.8178.1-70.4160.7000110.5T25 L26 S31 L32 L33T25-I29 WeakPolarHBondContact O-CB 3.43Å; T25-I29 WeakPolarHBondContact O-CD1 3.49Å; T25-I29 WeakPolarHBondContact O-CG1 3.42Å; T25-I29 PolarHBondContact O-N 2.85Å; L26-I29 PolarHBondContact O-N 2.72Å; I29-S31 PolarHBondContact O-N 3.21Å; I29-L32 CarbonylContact O-C 3.6Å; I29-L32 PolarHBondContact O-N 3.48Å; I29-L33 HydrophobicContact CG2-CD1 3.71Å; I29-L33 HydrophobicContact CG2-CG 4.22Å; I29-L33 WeakPolarHBondContact O-CG 3.3Å; I29-L33 PolarHBondContact O-N 2.88Å
30D56.4Low57.4Low124 Ų124106 Ų10666%0.66361%0.606SS**Hα-helixtrans-60.9-30.3175.9-75.2-19.8000112.2L26L26-D30 PolarHBondContact O-N 3.47Å
31S66.6Low58Low102 Ų102107.9 Ų107.971%0.71361%0.609SS**Hα-helixtrans-75.2-31.2174.3-52.60000112.9S27 S28 I29S27-S31 PolarHBondContact O-N 3.25Å; S27-S31 PolarHBondContact O-OG 3.44Å; S28-S31 WeakPolarHBondContact O-CB 3.18Å; S28-S31 PolarHBondContact O-N 2.99Å; I29-S31 PolarHBondContact O-N 3.21Å
32L60.6Low58.4Low136 Ų136110.6 Ų110.671%0.71262%0.615SS**Hα-helixtrans-87.8-19.1-176.7-73.4168.3000113.4S28 I29 P34S28-L32 VanDerWaalsContact O-CG 3.25Å; S28-L32 WeakPolarHBondContact O-CG 3.41Å; S28-L32 PolarHBondContact O-N 2.9Å; I29-L32 CarbonylContact O-C 3.6Å; I29-L32 PolarHBondContact O-N 3.48Å; L32-P34 VanDerWaalsContact C-CD 3.49Å; L32-P34 WeakPolarHBondContact O-CD 3.3Å
33L59.2Low59.4Low102 Ų102111.8 Ų111.853%0.53462%0.615SS.*SBendtrans-92.688.1170.3-65.7174.2000107.5I29 G35I29-L33 HydrophobicContact CG2-CD1 3.71Å; I29-L33 HydrophobicContact CG2-CG 4.22Å; I29-L33 WeakPolarHBondContact O-CG 3.3Å; I29-L33 PolarHBondContact O-N 2.88Å; L33-G35 PolarHBondContact O-N 2.91Å
34P55.6Low60.8Low102 Ų102107.8 Ų107.866%0.66260%0.599SS**  trans-54.1122.1171.122.8-31.6000106.3L32 L36L32-P34 VanDerWaalsContact C-CD 3.49Å; L32-P34 WeakPolarHBondContact O-CD 3.3Å; P34-L36 PolarHBondContact O-N 3.36Å
35G55Low62.1Low79 Ų79107.2 Ų107.281%0.81460%0.596SS**  trans-42.671.3-166.200000115.2L33L33-G35 PolarHBondContact O-N 2.91Å
36L51.5Low63.5Low129 Ų129110.6 Ų110.668%0.67561%0.607SS**  trans-59.9123.9170.1-80.8162.4000102.1P34 I38P34-L36 PolarHBondContact O-N 3.36Å; L36-I38 VanDerWaalsContact C-N 3.31Å; L36-I38 PolarHBondContact O-N 3.36Å
37P53.1Low64.9Low107 Ų107107.9 Ų107.970%0.69560%0.596SS**  trans-52.3111.5173.622.4-30.7000104.8Q39P37-Q39 PolarHBondContact O-N 2.85Å
38I55.6Low66.2Low122 Ų122107.3 Ų107.363%0.62659%0.587SS**  trans-56.6106.9167.1-62.7173.1000100.8L36 E40 Y43L36-I38 VanDerWaalsContact C-N 3.31Å; L36-I38 PolarHBondContact O-N 3.36Å; I38-E40 PolarHBondContact O-N 3.06Å; I38-Y43 HydrophobicContact CG2-CD2 3.64Å; I38-Y43 HydrophobicContact CG2-CE2 4.06Å
39Q56.1Low67.2Low125 Ų125112 Ų11258%0.58460%0.595SS**  trans-65.991.8170.4-72.6-167.4-40.500103.1P37 D41 L42 Y43P37-Q39 PolarHBondContact O-N 2.85Å; Q39-D41 PolarHBondContact O-N 2.9Å; Q39-D41 VanDerWaalsContact O-N 3.07Å; Q39-L42 HydrophobicContact CB-CB 4.19Å; Q39-L42 WeakPolarHBondContact O-CB 3.09Å; Q39-L42 PolarHBondContact O-N 2.93Å; Q39-Y43 PolarHBondContact O-N 2.65Å
40E61.2Low68.8Low155 Ų155112.2 Ų112.272%0.72460%0.6SS**THydrogen-bonded Turntrans-53.2-30.1-179.2-69.7-179.317100109.5I38 L42 Y43 N44I38-E40 PolarHBondContact O-N 3.06Å; E40-L42 VanDerWaalsContact C-N 3.33Å; E40-L42 PolarHBondContact O-N 3.39Å; E40-Y43 CarbonylContact O-C 3.42Å; E40-Y43 PolarHBondContact O-N 2.75Å; E40-N44 PolarHBondContact O-N 3.3Å
41D68.1Low70.3Confident128 Ų128111 Ų11168%0.68459%0.593SS**THydrogen-bonded Turntrans-60.6-33.6172.4-64.3-14.4000113.8Q39 N44 S47Q39-D41 PolarHBondContact O-N 2.9Å; Q39-D41 VanDerWaalsContact O-N 3.07Å; D41-N44 PolarHBondContact O-ND2 3.23Å; D41-S47 PolarHBondContact O-OG 3.38Å; D41-S47 VanDerWaalsContact O-OG 3.12Å
42L65.5Low71.3Confident112 Ų112113.3 Ų113.359%0.58659%0.59SS**THydrogen-bonded Turntrans-75.5-32177.2-12478.1000112Q39 E40 S47Q39-L42 HydrophobicContact CB-CB 4.19Å; Q39-L42 WeakPolarHBondContact O-CB 3.09Å; Q39-L42 PolarHBondContact O-N 2.93Å; E40-L42 VanDerWaalsContact C-N 3.33Å; E40-L42 PolarHBondContact O-N 3.39Å; L42-S47 VanDerWaalsContact O-CB 3.28Å; L42-S47 WeakPolarHBondContact O-CB 3.45Å
43Y74.5Confident72.7Confident151 Ų151109.9 Ų109.959%0.59258%0.582SS**SBendtrans-96.911179-66.5-78.7000113.3I38 Q39 E40 L48I38-Y43 HydrophobicContact CG2-CD2 3.64Å; I38-Y43 HydrophobicContact CG2-CE2 4.06Å; Q39-Y43 PolarHBondContact O-N 2.65Å; E40-Y43 CarbonylContact O-C 3.42Å; E40-Y43 PolarHBondContact O-N 2.75Å; Y43-L48 HydrophobicContact CD1-CD2 4.26Å; Y43-L48 WeakPolarHBondContact O-CD1 3.36Å
44N84.8Confident74.1Confident60 Ų60108.8 Ų108.832%0.32158%0.579SS.*SBendtrans-63.4154.7174.484.950.1000110.1E40 D41 E46 S47 L48E40-N44 PolarHBondContact O-N 3.3Å; D41-N44 PolarHBondContact O-ND2 3.23Å; N44-E46 VanDerWaalsContact C-N 3.26Å; N44-E46 PolarHBondContact O-N 3.1Å; N44-E46 WeakPolarHBondContact OD1-CA 3.49Å; N44-E46 WeakPolarHBondContact OD1-CB 3.47Å; N44-E46 PolarHBondContact OD1-N 3.43Å; N44-S47 PolarHBondContact ND2-OG 3.12Å; N44-S47 PolarHBondContact O-N 3.33Å; N44-S47 PolarHBondContact OD1-N 2.91Å; N44-S47 PolarHBondContact OD1-OG 3.29Å; N44-L48 PolarHBondContact O-N 3.25Å
45E83.2Confident75.8Confident132 Ų132106.3 Ų106.362%0.61756%0.563SS**Hα-helixtrans-59-35.9-173-166.4-174159.500112.9R49E45-R49 VanDerWaalsContact O-CB 3.3Å; E45-R49 WeakPolarHBondContact O-CB 3.23Å; E45-R49 WeakPolarHBondContact O-CD 3.15Å; E45-R49 WeakPolarHBondContact O-CG 3.21Å; E45-R49 PolarHBondContact O-N 3.13Å; E45-R49 IonicContact OE1-CZ 3.24Å; E45-R49 IonicContact OE1-NE 2.93Å; E45-R49 PolarHBondContact OE1-NE 3.41Å; E45-R49 IonicContact OE1-NH2 3.63Å; E45-R49 PolarHBondContact OE1-NH2 3.31Å
46E87.6Confident77.6Confident146 Ų146104.2 Ų104.268%0.68254%0.541SS*.Hα-helixtrans-71.7-43.7179.5-176.1174.6-169.400112.3N44 L48 R49 T50N44-E46 VanDerWaalsContact C-N 3.26Å; N44-E46 PolarHBondContact O-N 3.1Å; N44-E46 WeakPolarHBondContact OD1-CA 3.49Å; N44-E46 WeakPolarHBondContact OD1-CB 3.47Å; N44-E46 PolarHBondContact OD1-N 3.43Å; E46-L48 VanDerWaalsContact C-N 3.35Å; E46-R49 PolarHBondContact O-N 3.26Å; E46-T50 WeakPolarHBondContact O-CB 3.46Å; E46-T50 PolarHBondContact O-N 3.03Å; E46-T50 PolarHBondContact O-OG1 2.9Å
47S86.8Confident79.6Confident44 Ų44107 Ų10731%0.30854%0.542SS..Hα-helixtrans-58.8-46.7173.6-660000110.6D41 L42 N44 T50 L51D41-S47 PolarHBondContact O-OG 3.38Å; D41-S47 VanDerWaalsContact O-OG 3.12Å; L42-S47 VanDerWaalsContact O-CB 3.28Å; L42-S47 WeakPolarHBondContact O-CB 3.45Å; N44-S47 PolarHBondContact ND2-OG 3.12Å; N44-S47 PolarHBondContact O-N 3.33Å; N44-S47 PolarHBondContact OD1-N 2.91Å; N44-S47 PolarHBondContact OD1-OG 3.29Å; S47-T50 PolarHBondContact O-N 2.8Å; S47-L51 WeakPolarHBondContact O-CB 3.42Å; S47-L51 PolarHBondContact O-N 3.07Å
48L87.8Confident81.6Confident55 Ų55107.4 Ų107.429%0.28854%0.535SS..Hα-helixtrans-65.9-45177.2-70.5176.8000112Y43 N44 E46 T50 L51 F52Y43-L48 HydrophobicContact CD1-CD2 4.26Å; Y43-L48 WeakPolarHBondContact O-CD1 3.36Å; N44-L48 PolarHBondContact O-N 3.25Å; E46-L48 VanDerWaalsContact C-N 3.35Å; L48-T50 VanDerWaalsContact C-N 3.28Å; L48-T50 PolarHBondContact O-N 3.41Å; L48-L51 PolarHBondContact O-N 3.36Å; L48-F52 HydrophobicContact CB-CD2 4.39Å; L48-F52 HydrophobicContact CB-CE2 4.39Å; L48-F52 WeakPolarHBondContact O-CB 3.5Å; L48-F52 WeakPolarHBondContact O-CD2 3.38Å; L48-F52 PolarHBondContact O-N 3.37Å
49R86.8Confident83.4Confident163 Ų163106.8 Ų106.862%0.61553%0.532SS*.Hα-helixtrans-57.2-43.2175.8-79.3170-179.1-94.33.7111.5E45 E46 F52 A53E45-R49 VanDerWaalsContact O-CB 3.3Å; E45-R49 WeakPolarHBondContact O-CB 3.23Å; E45-R49 WeakPolarHBondContact O-CD 3.15Å; E45-R49 WeakPolarHBondContact O-CG 3.21Å; E45-R49 PolarHBondContact O-N 3.13Å; E45-R49 IonicContact OE1-CZ 3.24Å; E45-R49 IonicContact OE1-NE 2.93Å; E45-R49 PolarHBondContact OE1-NE 3.41Å; E45-R49 IonicContact OE1-NH2 3.63Å; E45-R49 PolarHBondContact OE1-NH2 3.31Å; E46-R49 PolarHBondContact O-N 3.26Å; R49-F52 PolarHBondContact O-N 2.74Å; R49-A53 VanDerWaalsContact O-CB 3.3Å; R49-A53 WeakPolarHBondContact O-CB 3.43Å; R49-A53 PolarHBondContact O-N 3.42Å
50T89.2Confident85.3Confident82 Ų82104.6 Ų104.650%0.50352%0.524SS..Hα-helixtrans-65.1-46.9177.5-58.30000111.3E46 S47 L48 F52 A53 V54E46-T50 WeakPolarHBondContact O-CB 3.46Å; E46-T50 PolarHBondContact O-N 3.03Å; E46-T50 PolarHBondContact O-OG1 2.9Å; S47-T50 PolarHBondContact O-N 2.8Å; L48-T50 VanDerWaalsContact C-N 3.28Å; L48-T50 PolarHBondContact O-N 3.41Å; T50-F52 PolarHBondContact O-N 2.87Å; T50-A53 PolarHBondContact O-N 3.4Å; T50-V54 WeakPolarHBondContact O-CG2 3.27Å; T50-V54 PolarHBondContact O-N 2.88Å
51L87.4Confident87Confident99 Ų99102.9 Ų102.952%0.51852%0.515SS..Hα-helixtrans-58-46.8175.9178.964.1000111.5S47 L48 V54 T55S47-L51 WeakPolarHBondContact O-CB 3.42Å; S47-L51 PolarHBondContact O-N 3.07Å; L48-L51 PolarHBondContact O-N 3.36Å; L51-V54 PolarHBondContact O-N 3.13Å; L51-T55 WeakPolarHBondContact CD1-OG1 3.49Å; L51-T55 WeakPolarHBondContact O-CB 3.49Å; L51-T55 PolarHBondContact O-N 3.4Å; L51-T55 PolarHBondContact O-OG1 2.85Å
52F88.3Confident88.4Confident150 Ų150101.1 Ų101.166%0.65851%0.51SS*.Hα-helixtrans-66.9-34.7177.5-78.8-63.4000112.8L48 R49 T50 G56L48-F52 HydrophobicContact CB-CD2 4.39Å; L48-F52 HydrophobicContact CB-CE2 4.39Å; L48-F52 WeakPolarHBondContact O-CB 3.5Å; L48-F52 WeakPolarHBondContact O-CD2 3.38Å; L48-F52 PolarHBondContact O-N 3.37Å; R49-F52 PolarHBondContact O-N 2.74Å; T50-F52 PolarHBondContact O-N 2.87Å; F52-G56 WeakPolarHBondContact O-CA 3.33Å; F52-G56 PolarHBondContact O-N 3.46Å
53A89.5Confident89.9Confident65 Ų65103 Ų10354%0.53751%0.513SS..Hα-helixtrans-67.2-42.5176.900000112.1R49 T50 R57R49-A53 VanDerWaalsContact O-CB 3.3Å; R49-A53 WeakPolarHBondContact O-CB 3.43Å; R49-A53 PolarHBondContact O-N 3.42Å; T50-A53 PolarHBondContact O-N 3.4Å; A53-R57 WeakPolarHBondContact O-CB 3.45Å; A53-R57 PolarHBondContact O-N 3.26Å
54V88.9Confident91Very high78 Ų78102.8 Ų102.847%0.47351%0.511SS..Hα-helixtrans-71-57.9177.2176.10000110.2T50 L51 G56 R57 E58T50-V54 WeakPolarHBondContact O-CG2 3.27Å; T50-V54 PolarHBondContact O-N 2.88Å; L51-V54 PolarHBondContact O-N 3.13Å; V54-G56 VanDerWaalsContact C-N 3.31Å; V54-G56 PolarHBondContact O-N 2.92Å; V54-R57 WeakPolarHBondContact O-CB 3.37Å; V54-R57 PolarHBondContact O-N 2.87Å; V54-R57 VanDerWaalsContact O-N 3.1Å; V54-E58 PolarHBondContact O-N 3.44Å; V54-E58 VanDerWaalsContact O-N 3.12Å
55T92.1Very high91.7Very high51 Ų51107.8 Ų107.831%0.31353%0.526SS..Hα-helixtrans-62.1-39.8-177.5-46.70000111.2L51 R57 E58 I59L51-T55 WeakPolarHBondContact CD1-OG1 3.49Å; L51-T55 WeakPolarHBondContact O-CB 3.49Å; L51-T55 PolarHBondContact O-N 3.4Å; L51-T55 PolarHBondContact O-OG1 2.85Å; T55-R57 VanDerWaalsContact C-N 3.33Å; T55-R57 PolarHBondContact O-N 3.46Å; T55-E58 PolarHBondContact O-N 2.99Å; T55-I59 HydrophobicContact CG2-CD1 3.86Å; T55-I59 HydrophobicContact CG2-CG1 4.38Å; T55-I59 WeakPolarHBondContact O-CB 3.47Å; T55-I59 VanDerWaalsContact O-CG1 3.23Å; T55-I59 WeakPolarHBondContact O-CG1 3.41Å; T55-I59 PolarHBondContact O-N 2.99Å
56G92.2Very high92.4Very high34 Ų34106.6 Ų106.635%0.35152%0.523SS..Hα-helixtrans-63.7-36.8177.200000112.8F52 V54 L60F52-G56 WeakPolarHBondContact O-CA 3.33Å; F52-G56 PolarHBondContact O-N 3.46Å; V54-G56 VanDerWaalsContact C-N 3.31Å; V54-G56 PolarHBondContact O-N 2.92Å; G56-L60 VanDerWaalsContact O-CB 3.27Å; G56-L60 WeakPolarHBondContact O-CB 3.44Å; G56-L60 PolarHBondContact O-N 3.43Å
57R92.6Very high92.9Very high188 Ų188106.6 Ų106.671%0.70952%0.521SS*.Hα-helixtrans-65-46.5174.4-175.7-176.3-64.9-1540.7111.2A53 V54 T55 L60 E61A53-R57 WeakPolarHBondContact O-CB 3.45Å; A53-R57 PolarHBondContact O-N 3.26Å; V54-R57 WeakPolarHBondContact O-CB 3.37Å; V54-R57 PolarHBondContact O-N 2.87Å; V54-R57 VanDerWaalsContact O-N 3.1Å; T55-R57 VanDerWaalsContact C-N 3.33Å; T55-R57 PolarHBondContact O-N 3.46Å; R57-L60 PolarHBondContact O-N 2.87Å; R57-E61 PolarHBondContact O-N 3.42Å
58E94.6Very high93.5Very high116 Ų116111.8 Ų111.854%0.54253%0.533SS..Hα-helixtrans-63.4-43.3178.7-68.3178.1174.100112.3V54 T55 L60 E61 T62V54-E58 PolarHBondContact O-N 3.44Å; V54-E58 VanDerWaalsContact O-N 3.12Å; T55-E58 PolarHBondContact O-N 2.99Å; E58-L60 VanDerWaalsContact C-N 3.33Å; E58-L60 PolarHBondContact O-N 3.22Å; E58-E61 PolarHBondContact O-N 2.96Å; E58-T62 WeakPolarHBondContact O-CB 3.36Å; E58-T62 PolarHBondContact O-N 3.27Å; E58-T62 PolarHBondContact O-OG1 3.37Å
59I94.9Very high94Very high109 Ų109112.6 Ų112.656%0.55954%0.537SS*.Hα-helixtrans-60.2-45.2174.4-70.9168.1000110.1T55 T62 K63T55-I59 HydrophobicContact CG2-CD1 3.86Å; T55-I59 HydrophobicContact CG2-CG1 4.38Å; T55-I59 WeakPolarHBondContact O-CB 3.47Å; T55-I59 VanDerWaalsContact O-CG1 3.23Å; T55-I59 WeakPolarHBondContact O-CG1 3.41Å; T55-I59 PolarHBondContact O-N 2.99Å; I59-T62 PolarHBondContact O-N 3.26Å; I59-K63 WeakPolarHBondContact O-CB 3.49Å; I59-K63 PolarHBondContact O-N 3.41Å
60L95.2Very high94.5Very high79 Ų79108.1 Ų108.141%0.41453%0.528SS..Hα-helixtrans-65.7-40.2-179.5-17759.4000112G56 R57 E58 K63 R64G56-L60 VanDerWaalsContact O-CB 3.27Å; G56-L60 WeakPolarHBondContact O-CB 3.44Å; G56-L60 PolarHBondContact O-N 3.43Å; R57-L60 PolarHBondContact O-N 2.87Å; E58-L60 VanDerWaalsContact C-N 3.33Å; E58-L60 PolarHBondContact O-N 3.22Å; L60-K63 PolarHBondContact O-N 3.42Å; L60-R64 VanDerWaalsContact CD2-NH2 3.29Å; L60-R64 WeakPolarHBondContact O-CG 3.49Å; L60-R64 PolarHBondContact O-N 2.99Å
61E97.6Very high94.9Very high118 Ų118108.6 Ų108.655%0.55153%0.527SS*.Hα-helixtrans-63.4-46.1174.1-177.9169.5-174.700111.7R57 E58 K63 R64 R65R57-E61 PolarHBondContact O-N 3.42Å; E58-E61 PolarHBondContact O-N 2.96Å; E61-K63 VanDerWaalsContact C-N 3.31Å; E61-K63 PolarHBondContact O-N 2.86Å; E61-R64 WeakPolarHBondContact O-CB 3.39Å; E61-R64 PolarHBondContact O-N 3.26Å; E61-R64 VanDerWaalsContact O-N 3.13Å; E61-R65 WeakPolarHBondContact O-CB 3.49Å; E61-R65 PolarHBondContact O-N 3.05Å
62T97.2Very high95.4Very high92 Ų92109 Ų10956%0.56453%0.526SS*.Hα-helixtrans-59.1-43.9176.1-60.20000111E58 I59 R64 R65 L66E58-T62 WeakPolarHBondContact O-CB 3.36Å; E58-T62 PolarHBondContact O-N 3.27Å; E58-T62 PolarHBondContact O-OG1 3.37Å; I59-T62 PolarHBondContact O-N 3.26Å; T62-R64 PolarHBondContact O-N 3.13Å; T62-R65 PolarHBondContact O-N 3.16Å; T62-L66 WeakPolarHBondContact O-CB 3.34Å; T62-L66 PolarHBondContact O-N 2.96Å
63K97.3Very high95.9Very high151 Ų151107.1 Ų107.166%0.65752%0.522SS*.Hα-helixtrans-60.5-43.1174.7-176.2178.2179.6176.50112.2I59 L60 E61 L66 K67I59-K63 WeakPolarHBondContact O-CB 3.49Å; I59-K63 PolarHBondContact O-N 3.41Å; L60-K63 PolarHBondContact O-N 3.42Å; E61-K63 VanDerWaalsContact C-N 3.31Å; E61-K63 PolarHBondContact O-N 2.86Å; K63-L66 PolarHBondContact O-N 2.99Å; K63-K67 WeakPolarHBondContact O-CB 3.36Å; K63-K67 PolarHBondContact O-N 3.43Å
64R98.2Very high96.3Very high147 Ų147107 Ų10756%0.55551%0.512SS*.Hα-helixtrans-65.3-40.9176.1-72.2174.3-171.9143.7-3.3111.9L60 E61 T62 K67 R68L60-R64 VanDerWaalsContact CD2-NH2 3.29Å; L60-R64 WeakPolarHBondContact O-CG 3.49Å; L60-R64 PolarHBondContact O-N 2.99Å; E61-R64 WeakPolarHBondContact O-CB 3.39Å; E61-R64 PolarHBondContact O-N 3.26Å; E61-R64 VanDerWaalsContact O-N 3.13Å; T62-R64 PolarHBondContact O-N 3.13Å; R64-K67 PolarHBondContact O-N 3.29Å; R64-R68 PolarHBondContact O-N 3.48Å; R64-R68 VanDerWaalsContact O-N 3.17Å
65R98.4Very high96.7Very high165 Ų165109.3 Ų109.362%0.62352%0.518SS*.Hα-helixtrans-61.6-48.2175.4-176.6178.6178.5-179.1-0.5111E61 T62 K67 R68 I69E61-R65 WeakPolarHBondContact O-CB 3.49Å; E61-R65 PolarHBondContact O-N 3.05Å; T62-R65 PolarHBondContact O-N 3.16Å; R65-K67 VanDerWaalsContact C-N 3.32Å; R65-K67 PolarHBondContact O-N 2.96Å; R65-R68 WeakPolarHBondContact O-CB 3.46Å; R65-R68 PolarHBondContact O-N 3.17Å; R65-R68 VanDerWaalsContact O-N 3.16Å; R65-I69 HydrophobicContact CG-CD1 4.2Å; R65-I69 WeakPolarHBondContact O-CG1 3.5Å; R65-I69 PolarHBondContact O-N 2.96Å; R65-I69 VanDerWaalsContact O-N 3.13Å
66L98.5Very high97Very high106 Ų106114.1 Ų114.156%0.55553%0.531SS*.Hα-helixtrans-60.3-42.3177.7-175.162.1000111.7T62 K63 R68 I69 V70T62-L66 WeakPolarHBondContact O-CB 3.34Å; T62-L66 PolarHBondContact O-N 2.96Å; K63-L66 PolarHBondContact O-N 2.99Å; L66-R68 VanDerWaalsContact C-N 3.31Å; L66-R68 PolarHBondContact O-N 3.48Å; L66-I69 PolarHBondContact O-N 3.41Å; L66-V70 HydrophobicContact CD1-CG2 4.49Å; L66-V70 WeakPolarHBondContact O-CG2 3.47Å; L66-V70 PolarHBondContact O-N 3.47Å
67K98Very high97.2Very high147 Ų147117.3 Ų117.364%0.63954%0.537SS*.Hα-helixtrans-57.3-42.5175.4-175.2179.8178.1-177.70112.4K63 R64 R65 V70 L71K63-K67 WeakPolarHBondContact O-CB 3.36Å; K63-K67 PolarHBondContact O-N 3.43Å; R64-K67 PolarHBondContact O-N 3.29Å; R65-K67 VanDerWaalsContact C-N 3.32Å; R65-K67 PolarHBondContact O-N 2.96Å; K67-V70 PolarHBondContact O-N 3.39Å; K67-L71 HydrophobicContact CG-CD1 4.44Å; K67-L71 WeakPolarHBondContact O-CG 3.4Å; K67-L71 PolarHBondContact O-N 2.88Å; K67-L71 VanDerWaalsContact O-N 3.14Å
68R98.4Very high97.5Very high152 Ų152116 Ų11657%0.57453%0.532SS*.Hα-helixtrans-62.3-48.5176.7-73.9-174.6-75.5175.1-2.9111.6R64 R65 L66 V70 L71 E72R64-R68 PolarHBondContact O-N 3.48Å; R64-R68 VanDerWaalsContact O-N 3.17Å; R65-R68 WeakPolarHBondContact O-CB 3.46Å; R65-R68 PolarHBondContact O-N 3.17Å; R65-R68 VanDerWaalsContact O-N 3.16Å; L66-R68 VanDerWaalsContact C-N 3.31Å; L66-R68 PolarHBondContact O-N 3.48Å; R68-V70 VanDerWaalsContact C-N 3.32Å; R68-V70 PolarHBondContact O-N 2.94Å; R68-L71 PolarHBondContact O-N 3.24Å; R68-L71 VanDerWaalsContact O-N 3.13Å; R68-E72 WeakPolarHBondContact O-CG 3.49Å; R68-E72 PolarHBondContact O-N 2.99Å
69I98.1Very high97.6Very high72 Ų72115.7 Ų115.737%0.36953%0.529SS..Hα-helixtrans-57.8-45.2178.3-65.5167.6000111R65 L66 L71 E72 L73R65-I69 HydrophobicContact CG-CD1 4.2Å; R65-I69 WeakPolarHBondContact O-CG1 3.5Å; R65-I69 PolarHBondContact O-N 2.96Å; R65-I69 VanDerWaalsContact O-N 3.13Å; L66-I69 PolarHBondContact O-N 3.41Å; I69-L71 VanDerWaalsContact C-N 3.33Å; I69-L71 PolarHBondContact O-N 3.47Å; I69-E72 PolarHBondContact O-N 3.42Å; I69-L73 HydrophobicContact CG2-CD1 4.05Å; I69-L73 HydrophobicContact CG2-CG 4.42Å; I69-L73 VanDerWaalsContact O-CG 3.31Å; I69-L73 WeakPolarHBondContact O-CG 3.44Å; I69-L73 PolarHBondContact O-N 3.48Å
70V98.2Very high97.7Very high70 Ų70114.1 Ų114.142%0.42452%0.524SS..Hα-helixtrans-61.9-40.6178.7171.20000111.7L66 K67 R68 L73 I74L66-V70 HydrophobicContact CD1-CG2 4.49Å; L66-V70 WeakPolarHBondContact O-CG2 3.47Å; L66-V70 PolarHBondContact O-N 3.47Å; K67-V70 PolarHBondContact O-N 3.39Å; R68-V70 VanDerWaalsContact C-N 3.32Å; R68-V70 PolarHBondContact O-N 2.94Å; V70-L73 PolarHBondContact O-N 3.07Å; V70-I74 HydrophobicContact CG1-CD1 4.07Å; V70-I74 VanDerWaalsContact O-CG1 3.32Å; V70-I74 WeakPolarHBondContact O-CG1 3.5Å; V70-I74 PolarHBondContact O-N 3Å; V70-I74 VanDerWaalsContact O-N 3.07Å
71L98Very high97.7Very high91 Ų91116.4 Ų116.448%0.47653%0.531SS..Hα-helixtrans-65.6-44.1177-70.2172.7000112K67 R68 I69 L73 I74 E75K67-L71 HydrophobicContact CG-CD1 4.44Å; K67-L71 WeakPolarHBondContact O-CG 3.4Å; K67-L71 PolarHBondContact O-N 2.88Å; K67-L71 VanDerWaalsContact O-N 3.14Å; R68-L71 PolarHBondContact O-N 3.24Å; R68-L71 VanDerWaalsContact O-N 3.13Å; I69-L71 VanDerWaalsContact C-N 3.33Å; I69-L71 PolarHBondContact O-N 3.47Å; L71-L73 VanDerWaalsContact C-N 3.3Å; L71-L73 PolarHBondContact O-N 2.87Å; L71-I74 PolarHBondContact O-N 3.32Å; L71-E75 PolarHBondContact O-N 3.1Å
72E98.2Very high97.6Very high109 Ų109119.3 Ų119.351%0.50954%0.537SS..Hα-helixtrans-59-42.3175-71.8171.9-160.700111.3R68 I69 I74 E75 Y76R68-E72 WeakPolarHBondContact O-CG 3.49Å; R68-E72 PolarHBondContact O-N 2.99Å; I69-E72 PolarHBondContact O-N 3.42Å; E72-I74 PolarHBondContact O-N 3.13Å; E72-E75 PolarHBondContact O-N 3.14Å; E72-Y76 WeakPolarHBondContact O-CB 3.31Å; E72-Y76 WeakPolarHBondContact O-CD2 3.47Å; E72-Y76 PolarHBondContact O-N 3.36Å
73L98.5Very high97.5Very high109 Ų109120.1 Ų120.157%0.57154%0.535SS*.Hα-helixtrans-62.5-41176.7-72.3173000112.4I69 V70 L71 E75 Y76 E77I69-L73 HydrophobicContact CG2-CD1 4.05Å; I69-L73 HydrophobicContact CG2-CG 4.42Å; I69-L73 VanDerWaalsContact O-CG 3.31Å; I69-L73 WeakPolarHBondContact O-CG 3.44Å; I69-L73 PolarHBondContact O-N 3.48Å; V70-L73 PolarHBondContact O-N 3.07Å; L71-L73 VanDerWaalsContact C-N 3.3Å; L71-L73 PolarHBondContact O-N 2.87Å; L73-E75 VanDerWaalsContact C-N 3.34Å; L73-E75 PolarHBondContact O-N 3.04Å; L73-Y76 PolarHBondContact O-N 2.88Å; L73-E77 WeakPolarHBondContact O-CB 3.37Å; L73-E77 PolarHBondContact O-N 2.88Å
74I97.4Very high97.4Very high64 Ų64120.7 Ų120.733%0.32853%0.533SS..Hα-helixtrans-63.2-41.1175.5-68.5164.8000110.8V70 L71 E72 E77 R78V70-I74 HydrophobicContact CG1-CD1 4.07Å; V70-I74 VanDerWaalsContact O-CG1 3.32Å; V70-I74 WeakPolarHBondContact O-CG1 3.5Å; V70-I74 PolarHBondContact O-N 3Å; V70-I74 VanDerWaalsContact O-N 3.07Å; L71-I74 PolarHBondContact O-N 3.32Å; E72-I74 PolarHBondContact O-N 3.13Å; I74-E77 PolarHBondContact O-N 3.32Å; I74-R78 WeakPolarHBondContact O-CG 3.32Å; I74-R78 PolarHBondContact O-N 3.2Å
75E97.5Very high97.1Very high126 Ų126116 Ų11659%0.58953%0.526SS*.Hα-helixtrans-65.4-43.2176.5-71.9-180-174.800112L71 E72 L73 R78 K79L71-E75 PolarHBondContact O-N 3.1Å; E72-E75 PolarHBondContact O-N 3.14Å; L73-E75 VanDerWaalsContact C-N 3.34Å; L73-E75 PolarHBondContact O-N 3.04Å; E75-R78 PolarHBondContact O-N 3.09Å; E75-K79 WeakPolarHBondContact O-CB 3.45Å; E75-K79 PolarHBondContact O-N 3.15Å
76Y98.2Very high96.8Very high151 Ų151111 Ų11159%0.59252%0.52SS*.Hα-helixtrans-59.6-44.8173.3-98.2-79.2000111.7E72 L73 R78 K79 V80E72-Y76 WeakPolarHBondContact O-CB 3.31Å; E72-Y76 WeakPolarHBondContact O-CD2 3.47Å; E72-Y76 PolarHBondContact O-N 3.36Å; L73-Y76 PolarHBondContact O-N 2.88Å; Y76-R78 PolarHBondContact O-N 3.44Å; Y76-K79 WeakPolarHBondContact O-CB 3.38Å; Y76-K79 PolarHBondContact O-N 3.36Å; Y76-K79 VanDerWaalsContact O-N 3.15Å; Y76-V80 WeakPolarHBondContact O-CG2 3.49Å; Y76-V80 PolarHBondContact O-N 2.92Å
77E97.1Very high96.4Very high101 Ų101111.7 Ų111.747%0.47252%0.524SS..Hα-helixtrans-59.8-45.5177.3-167.2-163.4156.900111.4L73 I74 K79 V80 K81L73-E77 WeakPolarHBondContact O-CB 3.37Å; L73-E77 PolarHBondContact O-N 2.88Å; I74-E77 PolarHBondContact O-N 3.32Å; E77-K79 VanDerWaalsContact C-N 3.32Å; E77-K79 PolarHBondContact O-N 3.5Å; E77-V80 PolarHBondContact O-N 2.93Å; E77-K81 WeakPolarHBondContact O-CG 3.35Å; E77-K81 PolarHBondContact O-N 3.02Å; E77-K81 VanDerWaalsContact OE1-CE 3.29Å; E77-K81 WeakPolarHBondContact OE1-CE 3.41Å; E77-K81 IonicContact OE1-NZ 3.2Å; E77-K81 PolarHBondContact OE1-NZ 3.41Å
78R97.5Very high95.8Very high161 Ų161110.5 Ų110.561%0.60852%0.52SS*.Hα-helixtrans-61.8-39.2175.4-71.4175.6-172.8174.52.8111.9I74 E75 Y76 R82I74-R78 WeakPolarHBondContact O-CG 3.32Å; I74-R78 PolarHBondContact O-N 3.2Å; E75-R78 PolarHBondContact O-N 3.09Å; Y76-R78 PolarHBondContact O-N 3.44Å; R78-R82 WeakPolarHBondContact O-CG 3.29Å; R78-R82 PolarHBondContact O-N 2.65Å; R78-R82 VanDerWaalsContact O-N 3.1Å
79K97.6Very high94.7Very high109 Ų109110.6 Ų110.647%0.47453%0.527SS..Hα-helixtrans-64.2-46.2176.3-173.9179.4178-178.60111.2E75 Y76 E77 K81 R82 M83E75-K79 WeakPolarHBondContact O-CB 3.45Å; E75-K79 PolarHBondContact O-N 3.15Å; Y76-K79 WeakPolarHBondContact O-CB 3.38Å; Y76-K79 PolarHBondContact O-N 3.36Å; Y76-K79 VanDerWaalsContact O-N 3.15Å; E77-K79 VanDerWaalsContact C-N 3.32Å; E77-K79 PolarHBondContact O-N 3.5Å; K79-K81 PolarHBondContact O-N 3.31Å; K79-R82 PolarHBondContact O-N 3.03Å; K79-M83 HydrophobicContact CG-SD 4.28Å; K79-M83 WeakPolarHBondContact O-CG 3.37Å; K79-M83 PolarHBondContact O-N 3.43Å
80V96.8Very high93Very high76 Ų76109.7 Ų109.746%0.46154%0.535SS..Hα-helixtrans-61.6-43177.1171.20000111.3Y76 E77 R82 M83 R84Y76-V80 WeakPolarHBondContact O-CG2 3.49Å; Y76-V80 PolarHBondContact O-N 2.92Å; E77-V80 PolarHBondContact O-N 2.93Å; V80-R82 PolarHBondContact O-N 2.88Å; V80-M83 PolarHBondContact O-N 2.93Å; V80-R84 WeakPolarHBondContact O-CB 3.36Å; V80-R84 PolarHBondContact O-N 3.06Å
81K96Very high90.9Very high128 Ų128111.5 Ų111.556%0.55755%0.547SS*.Hα-helixtrans-59.3-43.9175.5-78.5172.9169.6167.60112.2E77 K79 R84 A85E77-K81 WeakPolarHBondContact O-CG 3.35Å; E77-K81 PolarHBondContact O-N 3.02Å; E77-K81 VanDerWaalsContact OE1-CE 3.29Å; E77-K81 WeakPolarHBondContact OE1-CE 3.41Å; E77-K81 IonicContact OE1-NZ 3.2Å; E77-K81 PolarHBondContact OE1-NZ 3.41Å; K79-K81 PolarHBondContact O-N 3.31Å; K81-R84 PolarHBondContact O-N 3.31Å; K81-A85 PolarHBondContact O-N 3.3Å
82R94.5Very high88.8Confident178 Ų178112.1 Ų112.167%0.67256%0.558SS**Hα-helixtrans-64.6-44.7175.5-73.9-172.7-68.8155.8-4.7112.6R78 K79 V80 R84 A85 A86R78-R82 WeakPolarHBondContact O-CG 3.29Å; R78-R82 PolarHBondContact O-N 2.65Å; R78-R82 VanDerWaalsContact O-N 3.1Å; K79-R82 PolarHBondContact O-N 3.03Å; V80-R82 PolarHBondContact O-N 2.88Å; R82-R84 VanDerWaalsContact C-N 3.32Å; R82-R84 PolarHBondContact O-N 2.76Å; R82-A85 PolarHBondContact O-N 3.41Å; R82-A86 PolarHBondContact O-N 3.46Å
83M95.6Very high86.5Confident110 Ų110113.2 Ų113.254%0.54257%0.567SS.*Hα-helixtrans-61.9-41.1176.3-71.9178.265.200111.6K79 V80 A86 L87K79-M83 HydrophobicContact CG-SD 4.28Å; K79-M83 WeakPolarHBondContact O-CG 3.37Å; K79-M83 PolarHBondContact O-N 3.43Å; V80-M83 PolarHBondContact O-N 2.93Å; M83-A86 PolarHBondContact O-N 3.26Å; M83-L87 WeakPolarHBondContact O-CG 3.46Å; M83-L87 PolarHBondContact O-N 3.47Å
84R93.9Very high84Confident163 Ų163115.5 Ų115.562%0.61558%0.575SS**Hα-helixtrans-60.9-47.4175.4-175.7-179.7-66.6-171.9-1.7111.2V80 K81 R82 L87 H88V80-R84 WeakPolarHBondContact O-CB 3.36Å; V80-R84 PolarHBondContact O-N 3.06Å; K81-R84 PolarHBondContact O-N 3.31Å; R82-R84 VanDerWaalsContact C-N 3.32Å; R82-R84 PolarHBondContact O-N 2.76Å; R84-L87 PolarHBondContact O-N 3.02Å; R84-H88 PolarHBondContact O-N 3.42Å; R84-H88 PolarHBondContact O-ND1 2.99Å
85A92.9Very high81.6Confident47 Ų47122 Ų12239%0.38860%0.604SS.*Hα-helixtrans-59.5-47.4177.500000111.7K81 R82 L87 H88 E89K81-A85 PolarHBondContact O-N 3.3Å; R82-A85 PolarHBondContact O-N 3.41Å; A85-L87 VanDerWaalsContact C-N 3.3Å; A85-L87 PolarHBondContact O-N 3.32Å; A85-H88 PolarHBondContact O-N 3.1Å; A85-E89 PolarHBondContact O-N 2.85Å
86A92Very high78.9Confident60 Ų60118.9 Ų118.950%0.49661%0.605SS.*Hα-helixtrans-60.7-36.9178.200000113.1R82 M83 G90R82-A86 PolarHBondContact O-N 3.46Å; M83-A86 PolarHBondContact O-N 3.26Å; A86-G90 PolarHBondContact O-N 3.45Å; A86-G90 VanDerWaalsContact O-N 3.16Å
87L90.3Very high76.1Confident122 Ų122120.8 Ų120.864%0.63962%0.619SS**Hα-helixtrans-67.7-38174-72.2171.9000112.3M83 R84 A85 G90 T91M83-L87 WeakPolarHBondContact O-CG 3.46Å; M83-L87 PolarHBondContact O-N 3.47Å; R84-L87 PolarHBondContact O-N 3.02Å; A85-L87 VanDerWaalsContact C-N 3.3Å; A85-L87 PolarHBondContact O-N 3.32Å; L87-G90 PolarHBondContact O-N 3.31Å; L87-T91 WeakPolarHBondContact O-CG2 3.49Å; L87-T91 PolarHBondContact O-N 3.41Å; L87-T91 PolarHBondContact O-OG1 3.46Å
88H85.7Confident73.2Confident122 Ų122124.5 Ų124.557%0.56564%0.637SS**Hα-helixtrans-72.6-35.6179.5-72.962000112.1R84 A85 G90 T91R84-H88 PolarHBondContact O-N 3.42Å; R84-H88 PolarHBondContact O-ND1 2.99Å; A85-H88 PolarHBondContact O-N 3.1Å; H88-G90 VanDerWaalsContact C-N 3.33Å; H88-T91 WeakPolarHBondContact CA-OG1 3.33Å; H88-T91 PolarHBondContact O-N 3.16Å; H88-T91 PolarHBondContact O-OG1 3.32Å
89E74.3Confident70.8Confident154 Ų154122.9 Ų122.972%0.7265%0.647SS**Hα-helixtrans-64.4-37.4172.4-74.7173.6-171.100111.5A85 T91 S92A85-E89 PolarHBondContact O-N 2.85Å; E89-T91 VanDerWaalsContact C-N 3.32Å; E89-T91 PolarHBondContact O-N 3.19Å; E89-S92 PolarHBondContact O-N 3.21Å
90G63.2Low68.4Low52 Ų52122.9 Ų122.954%0.53666%0.661SS.*Hα-helixtrans-72.6-17.9175.700000115.2A86 L87 H88A86-G90 PolarHBondContact O-N 3.45Å; A86-G90 VanDerWaalsContact O-N 3.16Å; L87-G90 PolarHBondContact O-N 3.31Å; H88-G90 VanDerWaalsContact C-N 3.33Å
91T53.9Low65.8Low109 Ų109123.6 Ų123.667%0.66967%0.674SS**THydrogen-bonded Turntrans-91.33.8177.146.60000114.2L87 H88 E89 L93L87-T91 WeakPolarHBondContact O-CG2 3.49Å; L87-T91 PolarHBondContact O-N 3.41Å; L87-T91 PolarHBondContact O-OG1 3.46Å; H88-T91 WeakPolarHBondContact CA-OG1 3.33Å; H88-T91 PolarHBondContact O-N 3.16Å; H88-T91 PolarHBondContact O-OG1 3.32Å; E89-T91 VanDerWaalsContact C-N 3.32Å; E89-T91 PolarHBondContact O-N 3.19Å; T91-L93 VanDerWaalsContact C-N 3.25Å; T91-L93 PolarHBondContact O-N 3.06Å
92S53.1Low63.3Low104 Ų104128.7 Ų128.773%0.72769%0.69SS**  trans-91.535.6175-172.40000112.8E89E89-S92 PolarHBondContact O-N 3.21Å
93L50.2Low61Low131 Ų131125.7 Ų125.769%0.68669%0.694SS**  trans-115.5121.5171.7-89.5155.4000107.8T91T91-L93 VanDerWaalsContact C-N 3.25Å; T91-L93 PolarHBondContact O-N 3.06Å
94E45.9Very low58.8Low158 Ų158127.2 Ų127.274%0.73871%0.71SS**  trans88.767.1169.5-43.2-52.7139.100118.1
95E47.5Very low56.4Low201 Ų201126.9 Ų126.994%0.93972%0.72SS**SBend-115.7114.6129.3-80.6-172.8170.600107.4
96G40.4Very low54.1Low60 Ų60129 Ų12962%0.61974%0.737SS**  trans-71.2140.8-156.300000116
97E39.6Very low51.8Low190 Ų190130.3 Ų130.389%0.88875%0.748SS**  trans-117.9106.1147-103-178.5158.200107.8P99E97-P99 WeakPolarHBondContact O-CD 3.16Å
98H36.8Very low49.6Very low180 Ų180131.5 Ų131.583%0.83376%0.755SS**  trans-63.9119.5175.9-63.9-91.5000111.3S100H98-S100 PolarHBondContact O-N 2.92Å
99P47.5Very low47.5Very low127 Ų127133.5 Ų133.583%0.82577%0.77SS**  trans-81.199.815030.1-28.2000107.8E97 A101E97-P99 WeakPolarHBondContact O-CD 3.16Å; P99-A101 PolarHBondContact O-N 2.97Å
100S45.8Very low46.2Very low109 Ų109131.1 Ų131.176%0.76277%0.771SS**  trans-48.1129166.5-1770000111.5H98H98-S100 PolarHBondContact O-N 2.92Å
101A42.5Very low45.6Very low90 Ų90134.2 Ų134.274%0.74478%0.779SS**  trans57.8109.3150.600000119.1P99P99-A101 PolarHBondContact O-N 2.97Å
102R43.6Very low45.3Very low235 Ų235134.6 Ų134.689%0.88779%0.786SS**  -177.1130.799.9-167.3170.5-175.8176.2-0.1110.3
103P45.7Very low44.7Very low116 Ų116136 Ų13675%0.75379%0.79SS**  trans-80.6132.3-179.332.5-30.4000109.6
104T49.7Very low44.1Very low142 Ų142134.6 Ų134.687%0.87179%0.791SS**  trans-110.6115.1161.1-25.20000106.9
105D44.1Very low43.9Very low155 Ų155133.5 Ų133.583%0.82980%0.795SS**  trans-63.2149.3177.3-93-47000112.7
106A43.4Very low43.4Very low91 Ų91134.4 Ų134.475%0.75279%0.79SS**  trans84.1123.3145.100000120.7
107A44.3Very low43.6Very low89 Ų89139.3 Ų139.374%0.73679%0.794SS**  trans71.3130.4145.400000116.6
108D44.6Very low44Very low147 Ų147139.5 Ų139.579%0.78680%0.795SS**  cis-149.5127.522.3-98.1-45.6000109.2S110D108-S110 PolarHBondContact O-N 3.35Å; D108-S110 VanDerWaalsContact O-N 3.13Å
109N42Very low44.2Very low164 Ų164140.2 Ų140.288%0.87779%0.79SS**  trans-78.891.1168.4-112.8-3.4000108.5
110S46.4Very low44.1Very low104 Ų104137.7 Ų137.773%0.72779%0.787SS**  trans-114.581.9165.5-74.30000109.9D108 S112D108-S110 PolarHBondContact O-N 3.35Å; D108-S110 VanDerWaalsContact O-N 3.13Å; S110-S112 PolarHBondContact O-N 2.9Å; S110-S112 VanDerWaalsContact O-N 3.15Å
111V49.8Very low43.9Very low117 Ų117137.4 Ų137.471%0.70978%0.777SS**  trans-81.186.9169.2174.80000108.2T113V111-T113 HydrophobicContact CG1-CG2 3.96Å; V111-T113 PolarHBondContact O-N 3.27Å
112S48.6Very low44.1Very low117 Ų117142 Ų14282%0.81878%0.783SS**  trans-76.994.2163-96.10000109S110 S114S110-S112 PolarHBondContact O-N 2.9Å; S110-S112 VanDerWaalsContact O-N 3.15Å; S112-S114 PolarHBondContact O-N 3.4Å
113T41Very low44.4Very low132 Ų132136 Ų13681%0.8178%0.775SS**  trans-80.389.2163.938.50000108.9V111V111-T113 HydrophobicContact CG1-CG2 3.96Å; V111-T113 PolarHBondContact O-N 3.27Å
114S38Very low44.5Very low102 Ų102138.4 Ų138.471%0.71378%0.78SS**  trans-160.8111.1160.3-165.80000109.4S112S112-S114 PolarHBondContact O-N 3.4Å
115V40.4Very low44.7Very low135 Ų135137.3 Ų137.382%0.81878%0.776SS**  -176119.5106.3158.90000108.5
116R37Very low44.6Very low221 Ų221133 Ų13383%0.83477%0.768SS**  trans-71.3142.3161.6-172.4-174-174175.52.9108.9
117K43.9Very low44.8Very low162 Ų162136 Ų13670%0.70477%0.771SS**  trans123.3104.6146.1-67-178.4-178.7-179.90115.9
118H48.5Very low45Very low194 Ų194137.2 Ų137.290%0.89878%0.775SS**  -146.3114.5126.6-67.3-74.8000103
119R41.1Very low45.1Very low196 Ų196135.1 Ų135.174%0.7478%0.777SS**  cis48.46737-151.5178.1-171.4-165.7-1.8113.8D121R119-D121 HydrophobicContact CG-CB 4.4Å; R119-D121 IonicContact CZ-OD1 3.86Å; R119-D121 IonicContact CZ-OD2 2.65Å; R119-D121 VanDerWaalsContact CZ-OD2 3.24Å; R119-D121 VanDerWaalsContact NE-CG 3.27Å; R119-D121 IonicContact NE-OD1 2.97Å; R119-D121 PolarHBondContact NE-OD1 3.5Å; R119-D121 IonicContact NE-OD2 2.86Å; R119-D121 PolarHBondContact NE-OD2 3.22Å; R119-D121 IonicContact NH2-OD1 2.65Å; R119-D121 PolarHBondContact NH2-OD1 2.86Å; R119-D121 IonicContact NH2-OD2 2.96Å; R119-D121 PolarHBondContact NH2-OD2 2.97Å
120G45.3Very low45.5Very low74 Ų74131 Ų13176%0.76377%0.766SS**  -102.1112.712000000104.9
121D42.5Very low45.6Very low103 Ų103133.6 Ų133.655%0.55177%0.772SS**  43.510156-73.4-3.6000111.4R119R119-D121 HydrophobicContact CG-CB 4.4Å; R119-D121 IonicContact CZ-OD1 3.86Å; R119-D121 IonicContact CZ-OD2 2.65Å; R119-D121 VanDerWaalsContact CZ-OD2 3.24Å; R119-D121 VanDerWaalsContact NE-CG 3.27Å; R119-D121 IonicContact NE-OD1 2.97Å; R119-D121 PolarHBondContact NE-OD1 3.5Å; R119-D121 IonicContact NE-OD2 2.86Å; R119-D121 PolarHBondContact NE-OD2 3.22Å; R119-D121 IonicContact NH2-OD1 2.65Å; R119-D121 PolarHBondContact NH2-OD1 2.86Å; R119-D121 IonicContact NH2-OD2 2.96Å; R119-D121 PolarHBondContact NH2-OD2 2.97Å
122E47.2Very low45.8Very low185 Ų185133.5 Ų133.586%0.86477%0.767SS**  trans121.6140.6153.6-71.2-150136.100117.6
123P49.7Very low46.1Very low110 Ų110134 Ų13471%0.71477%0.768SS**  -124.3161-6321.3-0.7000111
124L47.4Very low46.6Very low166 Ų166135.2 Ų135.287%0.86977%0.765SS**  trans-66.1131.9171.5-66.4167.8000109.5G126L124-G126 VanDerWaalsContact C-N 3.28Å; L124-G126 PolarHBondContact O-N 3.23Å
125P54.1Low47Very low120 Ų120136.1 Ų136.178%0.77977%0.766SS**  trans-69.492.2165.527.8-30.9000108.5N127P125-N127 PolarHBondContact O-N 3.15Å; P125-N127 VanDerWaalsContact O-N 3.1Å
126G42.5Very low47.2Very low65 Ų65137.5 Ų137.567%0.6777%0.769SS**  trans-73.782.5159.700000108.8L124 S128L124-G126 VanDerWaalsContact C-N 3.28Å; L124-G126 PolarHBondContact O-N 3.23Å; G126-S128 PolarHBondContact O-N 3.4Å; G126-S128 VanDerWaalsContact O-N 3.09Å
127N46.6Very low48Very low152 Ų152138.5 Ų138.581%0.81379%0.791SS**  trans-79.675157-87.430.2000107.7P125 A129P125-N127 PolarHBondContact O-N 3.15Å; P125-N127 VanDerWaalsContact O-N 3.1Å; N127-A129 PolarHBondContact O-N 3.26Å
128S47.9Very low48.2Very low116 Ų116137.4 Ų137.481%0.81180%0.795SS**  trans-71.983153.5-64.70000107G126G126-S128 PolarHBondContact O-N 3.4Å; G126-S128 VanDerWaalsContact O-N 3.09Å
129A47Very low48.2Very low102 Ų102134.4 Ų134.484%0.84379%0.79SS**  trans-102.374.2157.300000106.4N127N127-A129 PolarHBondContact O-N 3.26Å
130A50.5Low48.5Very low77 Ų77130.9 Ų130.964%0.63679%0.792SS**  trans-130.5145162.700000105.5
131D48.4Very low48.7Very low159 Ų159134.3 Ų134.385%0.8579%0.794SS**  trans90.6116.5-168.6-53.4-17.9000113.1
132D53.7Low49.1Very low115 Ų115136.3 Ų136.362%0.61581%0.809SS**  cis-173.8138.2-2-151.5-15.9000107
133P56Low49.3Very low128 Ų128133 Ų13383%0.83181%0.806SS**  trans-99.679.4158.234.3-27.1000110.3
134E51.7Low49.2Very low158 Ų158134.6 Ų134.674%0.73881%0.812SS**  trans-93.4143.5157.4-89.4-166.6160.100109
135T45.3Very low49.4Very low121 Ų121132.2 Ų132.274%0.74281%0.808SS**  cis-169.6153.7-21.2130000103.6N137T135-N137 PolarHBondContact O-N 3.13Å
136D44.1Very low49Very low164 Ų164133.3 Ų133.388%0.87781%0.81SS**  trans-48127.7174.6-82.3-42.7000113.5
137N54Low49.6Very low242 Ų242139.5 Ų139.5100%1.29482%0.823SS**  trans-154.20140.9-99.3-21.3000109.6T135T135-N137 PolarHBondContact O-N 3.13Å

Retrieved 137 of 137 residues in 186.1 ms (Link to these results)