A0A077Z603_TRITR Loading...

CBFD NFYB HMF domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z603, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 111 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
1M52.3Low73.6Confident245 Ų245133.4 Ų133.4100%1.20768%0.677SS**  0126.30-75.5178.4174.700108.1
2A70.1Confident72.9Confident106 Ų106126.8 Ų126.888%0.87664%0.642SS**PPolyproline II helixtrans-85.3129.5178.400000110.5
3I70.7Confident72.3Confident138 Ų138129.7 Ų129.771%0.70865%0.648SS**PPolyproline II helixtrans-74.7129.2173.9-61.4171.3000108T5 V8I3-T5 PolarHBondContact O-N 2.97Å; I3-V8 HydrophobicContact CG2-CG2 3.81Å
4S79.1Confident71.6Confident60 Ų60131.8 Ų131.842%0.4266%0.655SS.*PPolyproline II helixtrans-68.8133.7177.567.30000110.8R6 K7 V8S4-R6 PolarHBondContact O-N 3.5Å; S4-K7 PolarHBondContact O-N 3.01Å; S4-V8 PolarHBondContact O-N 3.47Å
5T78.9Confident70.5Confident100 Ų100126.2 Ų126.261%0.61364%0.644SS**Hα-helixtrans-53.9-29.1175.852.10000112.4I3 K7 V8 K9I3-T5 PolarHBondContact O-N 2.97Å; T5-K7 PolarHBondContact O-N 3.25Å; T5-V8 PolarHBondContact O-N 3.14Å; T5-K9 WeakPolarHBondContact O-CB 3.38Å; T5-K9 PolarHBondContact O-N 3.37Å
6R77.4Confident69.1Low215 Ų215124.4 Ų124.481%0.81165%0.646SS**Hα-helixtrans-62.7-39.4174.6-153.8-179-148-172.36.8113.1S4 K10S4-R6 PolarHBondContact O-N 3.5Å; R6-K10 PolarHBondContact O-N 3.46Å; R6-K10 VanDerWaalsContact O-N 3.15Å
7K78.8Confident67.9Low142 Ų142125 Ų12562%0.61766%0.662SS**Hα-helixtrans-70-42.6177-80.8-176.4176-178.50111S4 T5 K9 K10 I11S4-K7 PolarHBondContact O-N 3.01Å; T5-K7 PolarHBondContact O-N 3.25Å; K7-K9 PolarHBondContact O-N 3.47Å; K7-K10 PolarHBondContact O-N 2.94Å; K7-I11 WeakPolarHBondContact O-CG1 3.37Å; K7-I11 PolarHBondContact O-N 3.31Å; K7-I11 VanDerWaalsContact O-N 3.14Å
8V75.6Confident67Low49 Ų49123.1 Ų123.130%0.29766%0.655SS.*Hα-helixtrans-58.3-50.5175.6-177.50000110.3I3 S4 T5 K10 I11 M12I3-V8 HydrophobicContact CG2-CG2 3.81Å; S4-V8 PolarHBondContact O-N 3.47Å; T5-V8 PolarHBondContact O-N 3.14Å; V8-K10 VanDerWaalsContact C-N 3.28Å; V8-K10 PolarHBondContact O-N 3.03Å; V8-I11 PolarHBondContact O-N 2.94Å; V8-I11 VanDerWaalsContact O-N 3.15Å; V8-M12 HydrophobicContact CG1-SD 4.08Å; V8-M12 WeakPolarHBondContact O-CG 3.38Å; V8-M12 PolarHBondContact O-N 3.32Å; V8-M12 VanDerWaalsContact O-N 3.1Å
9K76.2Confident66.5Low137 Ų137125.4 Ų125.460%0.59667%0.668SS**Hα-helixtrans-61.4-33.1179.6-163.9169.4-174.1171.20113.4T5 K7 K13T5-K9 WeakPolarHBondContact O-CB 3.38Å; T5-K9 PolarHBondContact O-N 3.37Å; K7-K9 PolarHBondContact O-N 3.47Å; K9-K13 PolarHBondContact O-N 3.11Å
10K79.5Confident66.1Low143 Ų143130.4 Ų130.462%0.62268%0.677SS**Hα-helixtrans-70.8-38.2177.4-167.9172.3-177.8178.60112.1R6 K7 V8 H14R6-K10 PolarHBondContact O-N 3.46Å; R6-K10 VanDerWaalsContact O-N 3.15Å; K7-K10 PolarHBondContact O-N 2.94Å; V8-K10 VanDerWaalsContact C-N 3.28Å; V8-K10 PolarHBondContact O-N 3.03Å; K10-H14 PolarHBondContact O-CD2 3.33Å
11I70.7Confident66Low132 Ų132127.1 Ų127.168%0.67766%0.66SS**Hα-helixtrans-67.2-41.5177.2-65.1163.4000110.2K7 V8 K13 H14K7-I11 WeakPolarHBondContact O-CG1 3.37Å; K7-I11 PolarHBondContact O-N 3.31Å; K7-I11 VanDerWaalsContact O-N 3.14Å; V8-I11 PolarHBondContact O-N 2.94Å; V8-I11 VanDerWaalsContact O-N 3.15Å; I11-K13 VanDerWaalsContact C-N 3.33Å; I11-K13 PolarHBondContact O-N 3.33Å; I11-H14 PolarHBondContact O-N 3.2Å
12M65.7Low66.9Low54 Ų54118.5 Ų118.527%0.26662%0.624SS.*Hα-helixtrans-65.9-32.1179.9-62179.588.900113.5V8 H14 I21 I29V8-M12 HydrophobicContact CG1-SD 4.08Å; V8-M12 WeakPolarHBondContact O-CG 3.38Å; V8-M12 PolarHBondContact O-N 3.32Å; V8-M12 VanDerWaalsContact O-N 3.1Å; M12-H14 VanDerWaalsContact C-N 3.26Å; M12-H14 PolarHBondContact O-N 3.26Å; M12-I21 HydrophobicContact CB-CD1 3.69Å; M12-I21 HydrophobicContact CE-CB 4.2Å; M12-I21 HydrophobicContact CE-CD1 3.41Å; M12-I21 VanDerWaalsContact CE-CD1 3.41Å; M12-I21 HydrophobicContact CE-CG1 3.64Å; M12-I21 HydrophobicContact CE-CG2 3.71Å; M12-I21 HydrophobicContact CG-CD1 4.27Å; M12-I21 HydrophobicContact SD-CD1 3.71Å; M12-I29 HydrophobicContact CE-CD1 3.57Å
13K65.7Low67.4Low165 Ų165116.9 Ų116.972%0.71761%0.61SS**THydrogen-bonded Turntrans-71.9-15.1177.9-79.3-167.5170.1-153.70114.7K9 I11K9-K13 PolarHBondContact O-N 3.11Å; I11-K13 VanDerWaalsContact C-N 3.33Å; I11-K13 PolarHBondContact O-N 3.33Å
14H61.8Low67.7Low159 Ų159116 Ų11674%0.73661%0.607SS**THydrogen-bonded Turntrans-90.1-7.9-177.6-87-65.7000114.1K10 I11 M12K10-H14 PolarHBondContact O-CD2 3.33Å; I11-H14 PolarHBondContact O-N 3.2Å; M12-H14 VanDerWaalsContact C-N 3.26Å; M12-H14 PolarHBondContact O-N 3.26Å
15G54.6Low67.7Low48 Ų48114.8 Ų114.850%0.49560%0.6SS.*SBendtrans-121.2105.4176.700000111.3
16S48.9Very low67.8Low98 Ų98113.4 Ų113.469%0.68559%0.587SS**SBendtrans63.2114.4159-1680000117.1V18S16-V18 VanDerWaalsContact C-N 3.3Å; S16-V18 VanDerWaalsContact O-CG2 3.25Å; S16-V18 WeakPolarHBondContact O-CG2 3.41Å; S16-V18 PolarHBondContact O-N 3.29Å
17C49.3Very low68.2Low134 Ų134107.9 Ų107.991%0.90557%0.573SS**SBendtrans33.931144.4-47.50000121.6
18V51.1Low68.5Low90 Ų90104.5 Ų104.555%0.54556%0.558SS.*  trans-117.490.7175-158.60000110.4S16 R20 I21S16-V18 VanDerWaalsContact C-N 3.3Å; S16-V18 VanDerWaalsContact O-CG2 3.25Å; S16-V18 WeakPolarHBondContact O-CG2 3.41Å; S16-V18 PolarHBondContact O-N 3.29Å; V18-R20 WeakPolarHBondContact CG1-O 3.48Å; V18-R20 PolarHBondContact O-N 3.42Å; V18-I21 HydrophobicContact CG1-CG1 4.03Å
19D56.9Low69Low168 Ų168105.5 Ų105.590%0.89856%0.562SS**SBendtrans-61.5-26.6176.1-86.8-48.7000112.9
20R58.5Low69.6Low225 Ų225103.7 Ų103.785%0.84955%0.554SS**  trans-145.3113.4-178.8-62.8-176.5178.8-179.2-0.6110.6V18V18-R20 WeakPolarHBondContact CG1-O 3.48Å; V18-R20 PolarHBondContact O-N 3.42Å
21I64.5Low70Confident62 Ų62100.4 Ų100.432%0.31854%0.543SS..  trans-81.7128.4164.6-63.7128.9000106.9M12 V18 A25M12-I21 HydrophobicContact CB-CD1 3.69Å; M12-I21 HydrophobicContact CE-CB 4.2Å; M12-I21 HydrophobicContact CE-CD1 3.41Å; M12-I21 VanDerWaalsContact CE-CD1 3.41Å; M12-I21 HydrophobicContact CE-CG1 3.64Å; M12-I21 HydrophobicContact CE-CG2 3.71Å; M12-I21 HydrophobicContact CG-CD1 4.27Å; M12-I21 HydrophobicContact SD-CD1 3.71Å; V18-I21 HydrophobicContact CG1-CG1 4.03Å; I21-A25 HydrophobicContact CG2-CB 3.64Å
22S72Confident70.8Confident64 Ų6494.9 Ų94.945%0.44852%0.515SS..  trans-65.5152.6174.259.90000110.8D24 A25 E26S22-D24 PolarHBondContact O-N 3.45Å; S22-A25 PolarHBondContact O-N 3.47Å; S22-A25 WeakPolarHBondContact OG-CB 3.43Å; S22-A25 PolarHBondContact OG-N 2.9Å; S22-E26 PolarHBondContact O-N 3.5Å
23A80Confident71.9Confident71 Ų7195 Ų9559%0.58752%0.518SS*.Hα-helixtrans-56.6-35.9174.900000111.4A25 E26 L27A23-A25 PolarHBondContact O-N 3.06Å; A23-E26 PolarHBondContact O-N 3.21Å; A23-L27 WeakPolarHBondContact O-CG 3.49Å; A23-L27 PolarHBondContact O-N 2.96Å
24D76.6Confident73.1Confident120 Ų12093.5 Ų93.564%0.64251%0.512SS*.Hα-helixtrans-61.1-40.7174.7-62.4-77.4000113S22 E26 L27 F28S22-D24 PolarHBondContact O-N 3.45Å; D24-E26 VanDerWaalsContact C-N 3.35Å; D24-L27 PolarHBondContact O-N 2.95Å; D24-F28 VanDerWaalsContact O-CB 3.27Å; D24-F28 WeakPolarHBondContact O-CB 3.26Å; D24-F28 PolarHBondContact O-N 3.31Å
25A78.9Confident74.4Confident34 Ų3488.2 Ų88.228%0.28149%0.487SS..Hα-helixtrans-68.1-35.7177.200000111.8I21 S22 A23 F28 I29I21-A25 HydrophobicContact CG2-CB 3.64Å; S22-A25 PolarHBondContact O-N 3.47Å; S22-A25 WeakPolarHBondContact OG-CB 3.43Å; S22-A25 PolarHBondContact OG-N 2.9Å; A23-A25 PolarHBondContact O-N 3.06Å; A25-F28 PolarHBondContact O-N 3.18Å; A25-I29 VanDerWaalsContact O-CG1 3.3Å; A25-I29 WeakPolarHBondContact O-CG1 3.34Å; A25-I29 PolarHBondContact O-N 2.87Å; A25-I29 VanDerWaalsContact O-N 3.08Å
26E80.5Confident76Confident72 Ų7285.9 Ų85.934%0.33646%0.464SS..Hα-helixtrans-66.2-42.9173.6-171-177157.800111.8S22 A23 D24 I29 K30S22-E26 PolarHBondContact O-N 3.5Å; A23-E26 PolarHBondContact O-N 3.21Å; D24-E26 VanDerWaalsContact C-N 3.35Å; E26-I29 PolarHBondContact O-N 3.07Å; E26-K30 WeakPolarHBondContact O-CG 3.49Å; E26-K30 PolarHBondContact O-N 3.09Å; E26-K30 VanDerWaalsContact O-N 3.1Å; E26-K30 VanDerWaalsContact OE1-CE 3.26Å; E26-K30 WeakPolarHBondContact OE1-CE 3.31Å; E26-K30 IonicContact OE1-NZ 2.68Å; E26-K30 PolarHBondContact OE1-NZ 3.38Å
27L85.9Confident77.9Confident99 Ų9985.5 Ų85.552%0.51845%0.453SS..Hα-helixtrans-62.1-44.7175.1-73171.7000111.2A23 D24 I29 K30 D31A23-L27 WeakPolarHBondContact O-CG 3.49Å; A23-L27 PolarHBondContact O-N 2.96Å; D24-L27 PolarHBondContact O-N 2.95Å; L27-I29 PolarHBondContact O-N 3.2Å; L27-K30 PolarHBondContact O-N 3.49Å; L27-D31 PolarHBondContact O-N 3.48Å
28F85.9Confident79.8Confident70 Ų7084.6 Ų84.631%0.30744%0.439SS..Hα-helixtrans-56.2-47.8177175.2-92.9000112.3D24 A25 K30 D31 L32 Y62 I65D24-F28 VanDerWaalsContact O-CB 3.27Å; D24-F28 WeakPolarHBondContact O-CB 3.26Å; D24-F28 PolarHBondContact O-N 3.31Å; A25-F28 PolarHBondContact O-N 3.18Å; F28-K30 PolarHBondContact O-N 3.47Å; F28-D31 PolarHBondContact O-N 2.88Å; F28-L32 HydrophobicContact CE1-CD2 4.15Å; F28-L32 HydrophobicContact CZ-CD2 4.31Å; F28-L32 WeakPolarHBondContact O-CB 3.26Å; F28-L32 PolarHBondContact O-N 3.43Å; F28-Y62 AromaticContact CE2-CD1 3.83Å; F28-Y62 HydrophobicContact CE2-CD1 3.83Å; F28-Y62 AromaticContact CE2-CE1 3.56Å; F28-Y62 HydrophobicContact CE2-CE1 3.56Å; F28-Y62 AromaticContact CZ-CD1 3.78Å; F28-Y62 HydrophobicContact CZ-CD1 3.78Å; F28-Y62 AromaticContact CZ-CE1 3.7Å; F28-Y62 HydrophobicContact CZ-CE1 3.7Å; F28-I65 HydrophobicContact CE1-CD1 3.85Å; F28-I65 HydrophobicContact CE2-CD1 3.66Å; F28-I65 HydrophobicContact CZ-CD1 3.06Å
29I86Confident81.4Confident71 Ų7185.8 Ų85.836%0.36444%0.438SS..Hα-helixtrans-64.8-40.6179.1-66.8165.5000110.9M12 A25 E26 L27 L32 V33M12-I29 HydrophobicContact CE-CD1 3.57Å; A25-I29 VanDerWaalsContact O-CG1 3.3Å; A25-I29 WeakPolarHBondContact O-CG1 3.34Å; A25-I29 PolarHBondContact O-N 2.87Å; A25-I29 VanDerWaalsContact O-N 3.08Å; E26-I29 PolarHBondContact O-N 3.07Å; L27-I29 PolarHBondContact O-N 3.2Å; I29-L32 PolarHBondContact O-N 2.94Å; I29-V33 HydrophobicContact CG2-CG2 4.3Å; I29-V33 WeakPolarHBondContact O-CB 3.27Å; I29-V33 VanDerWaalsContact O-CG2 3.23Å; I29-V33 WeakPolarHBondContact O-CG2 3.35Å; I29-V33 PolarHBondContact O-N 3.01Å
30K88.8Confident82.8Confident99 Ų9979.2 Ų79.243%0.4340%0.403SS..Hα-helixtrans-63.7-44.6178.1-76.2176.1-176.2164.90112.2E26 L27 F28 V33 K34E26-K30 WeakPolarHBondContact O-CG 3.49Å; E26-K30 PolarHBondContact O-N 3.09Å; E26-K30 VanDerWaalsContact O-N 3.1Å; E26-K30 VanDerWaalsContact OE1-CE 3.26Å; E26-K30 WeakPolarHBondContact OE1-CE 3.31Å; E26-K30 IonicContact OE1-NZ 2.68Å; E26-K30 PolarHBondContact OE1-NZ 3.38Å; L27-K30 PolarHBondContact O-N 3.49Å; F28-K30 PolarHBondContact O-N 3.47Å; K30-V33 PolarHBondContact O-N 2.88Å; K30-K34 WeakPolarHBondContact O-CB 3.38Å; K30-K34 PolarHBondContact O-N 3.13Å
31D88.1Confident84.1Confident73 Ų7372 Ų7239%0.3939%0.385SS..Hα-helixtrans-62.4-47.4178.2-75-9.7000110.6L27 F28 V33 K34 E35L27-D31 PolarHBondContact O-N 3.48Å; F28-D31 PolarHBondContact O-N 2.88Å; D31-V33 PolarHBondContact O-N 3.36Å; D31-K34 PolarHBondContact O-N 3.32Å; D31-E35 WeakPolarHBondContact O-CG 3.42Å; D31-E35 PolarHBondContact O-N 3.11Å
32L88Confident85Confident17 Ų1775.6 Ų75.69%0.08941%0.412CS..Hα-helixtrans-60.1-44.717817862.6000112.5F28 I29 K34 E35 T36 L52 V55 M56 Y62F28-L32 HydrophobicContact CE1-CD2 4.15Å; F28-L32 HydrophobicContact CZ-CD2 4.31Å; F28-L32 WeakPolarHBondContact O-CB 3.26Å; F28-L32 PolarHBondContact O-N 3.43Å; I29-L32 PolarHBondContact O-N 2.94Å; L32-K34 VanDerWaalsContact C-N 3.34Å; L32-K34 PolarHBondContact O-N 2.73Å; L32-E35 PolarHBondContact O-N 3.43Å; L32-T36 WeakPolarHBondContact O-CB 3.42Å; L32-T36 PolarHBondContact O-N 3.11Å; L32-T36 PolarHBondContact O-OG1 2.93Å; L32-L52 HydrophobicContact CD1-CD1 3.86Å; L32-L52 HydrophobicContact CD2-CD1 3.72Å; L32-L52 HydrophobicContact CD2-CG 4.49Å; L32-L52 HydrophobicContact CG-CD1 3.55Å; L32-V55 HydrophobicContact CD1-CG1 4.31Å; L32-M56 HydrophobicContact CD1-CG 3.89Å; L32-M56 HydrophobicContact CD2-SD 4.49Å; L32-Y62 HydrophobicContact CB-CE1 4.37Å; L32-Y62 HydrophobicContact CD1-CD1 4.29Å; L32-Y62 HydrophobicContact CD1-CD2 4.23Å; L32-Y62 HydrophobicContact CD1-CE1 3.84Å; L32-Y62 HydrophobicContact CD1-CE2 3.81Å; L32-Y62 HydrophobicContact CD1-CG 4.46Å
33V88.4Confident85.6Confident56 Ų5676 Ų7634%0.33943%0.426SS..Hα-helixtrans-65.5-39.2178169.90000111.1I29 K30 D31 T36 I37 L47I29-V33 HydrophobicContact CG2-CG2 4.3Å; I29-V33 WeakPolarHBondContact O-CB 3.27Å; I29-V33 VanDerWaalsContact O-CG2 3.23Å; I29-V33 WeakPolarHBondContact O-CG2 3.35Å; I29-V33 PolarHBondContact O-N 3.01Å; K30-V33 PolarHBondContact O-N 2.88Å; D31-V33 PolarHBondContact O-N 3.36Å; V33-T36 WeakPolarHBondContact O-CB 3.23Å; V33-T36 PolarHBondContact O-N 3.48Å; V33-I37 HydrophobicContact CG1-CD1 3.84Å; V33-I37 WeakPolarHBondContact O-CD1 3.42Å; V33-I37 VanDerWaalsContact O-CG1 3.26Å; V33-I37 WeakPolarHBondContact O-CG1 3.43Å; V33-I37 PolarHBondContact O-N 3.31Å; V33-L47 HydrophobicContact CG1-CD1 4.11Å
34K89.9Confident85.7Confident134 Ų13474.5 Ų74.558%0.58341%0.412SS*.Hα-helixtrans-63.5-49.8176.5-176-173.8172-165.30111.2K30 D31 L32 T36 I37 D38K30-K34 WeakPolarHBondContact O-CB 3.38Å; K30-K34 PolarHBondContact O-N 3.13Å; D31-K34 PolarHBondContact O-N 3.32Å; L32-K34 VanDerWaalsContact C-N 3.34Å; L32-K34 PolarHBondContact O-N 2.73Å; K34-T36 PolarHBondContact O-N 2.84Å; K34-I37 PolarHBondContact O-N 3.12Å; K34-D38 PolarHBondContact O-N 3.19Å
35E89.1Confident86Confident47 Ų4776.3 Ų76.322%0.2242%0.421CS..Hα-helixtrans-57.8-40176.2-70.9-179-144.800111D31 L32 I37 D38 H39 V55 K61 Y62D31-E35 WeakPolarHBondContact O-CG 3.42Å; D31-E35 PolarHBondContact O-N 3.11Å; L32-E35 PolarHBondContact O-N 3.43Å; E35-I37 PolarHBondContact O-N 3.41Å; E35-D38 PolarHBondContact O-N 3.35Å; E35-H39 PolarHBondContact O-CD2 3.41Å; E35-H39 VanDerWaalsContact O-CD2 3.31Å; E35-H39 PolarHBondContact O-N 3.24Å; E35-V55 HydrophobicContact CB-CG1 3.84Å; E35-K61 IonicContact OE1-NZ 3.47Å; E35-K61 PolarHBondContact OE1-NZ 3.25Å; E35-Y62 PolarHBondContact OE1-OH 3.4Å; E35-Y62 WeakPolarHBondContact OE2-CE2 3.41Å; E35-Y62 PolarHBondContact OE2-OH 3.32Å; E35-Y62 VanDerWaalsContact OE2-OH 3.14Å
36T89Confident86.4Confident0 Ų079.3 Ų79.30%044%0.436CS..Hα-helixtrans-61.6-42.8174.6-540000112.4L32 V33 K34 H39 M40 L47 H51 L52L32-T36 WeakPolarHBondContact O-CB 3.42Å; L32-T36 PolarHBondContact O-N 3.11Å; L32-T36 PolarHBondContact O-OG1 2.93Å; V33-T36 WeakPolarHBondContact O-CB 3.23Å; V33-T36 PolarHBondContact O-N 3.48Å; K34-T36 PolarHBondContact O-N 2.84Å; T36-H39 PolarHBondContact O-N 3.4Å; T36-M40 WeakPolarHBondContact O-CG 3.26Å; T36-M40 PolarHBondContact O-N 3.02Å; T36-L47 HydrophobicContact CG2-CD1 3.92Å; T36-L47 HydrophobicContact CG2-CD2 4.34Å; T36-L47 HydrophobicContact CG2-CG 3.92Å; T36-H51 HydrophobicContact CG2-CB 3.6Å; T36-L52 HydrophobicContact CG2-CD1 4.5Å; T36-L52 VanDerWaalsContact OG1-CD1 3.31Å; T36-L52 WeakPolarHBondContact OG1-CD1 3.39Å
37I89.1Confident86.7Confident89 Ų8979.4 Ų79.446%0.45644%0.439SS..Hα-helixtrans-65.6-40.5177.9-68.8161.6000111.3V33 K34 E35 H39 M40 L47V33-I37 HydrophobicContact CG1-CD1 3.84Å; V33-I37 WeakPolarHBondContact O-CD1 3.42Å; V33-I37 VanDerWaalsContact O-CG1 3.26Å; V33-I37 WeakPolarHBondContact O-CG1 3.43Å; V33-I37 PolarHBondContact O-N 3.31Å; K34-I37 PolarHBondContact O-N 3.12Å; E35-I37 PolarHBondContact O-N 3.41Å; I37-H39 PolarHBondContact O-N 3.48Å; I37-M40 HydrophobicContact CB-CE 3.92Å; I37-M40 HydrophobicContact CG1-CE 3.5Å; I37-M40 HydrophobicContact CG2-CE 4.14Å; I37-M40 PolarHBondContact O-N 3.43Å; I37-M40 VanDerWaalsContact O-N 3.11Å; I37-L47 HydrophobicContact CG1-CD1 4.44Å
38D88.1Confident86.8Confident116 Ų11677.2 Ų77.262%0.6243%0.429SS*.Hα-helixtrans-65.3-25179.4-67.6-25.8000112.1K34 E35K34-D38 PolarHBondContact O-N 3.19Å; E35-D38 PolarHBondContact O-N 3.35Å
39H85.3Confident86.8Confident114 Ų11480 Ų8053%0.52845%0.446SS..THydrogen-bonded Turntrans-91.8-4.5175-82.2-111.3000114.6E35 T36 I37 V55E35-H39 PolarHBondContact O-CD2 3.41Å; E35-H39 VanDerWaalsContact O-CD2 3.31Å; E35-H39 PolarHBondContact O-N 3.24Å; T36-H39 PolarHBondContact O-N 3.4Å; I37-H39 PolarHBondContact O-N 3.48Å; H39-V55 HydrophobicContact CB-CG2 3.66Å
40M86.1Confident86.8Confident31 Ų3182.6 Ų82.615%0.15346%0.457CS..SBendtrans-72.3145.1-179.5-82.3-163.8-77.100111.9T36 I37 L47 H51T36-M40 WeakPolarHBondContact O-CG 3.26Å; T36-M40 PolarHBondContact O-N 3.02Å; I37-M40 HydrophobicContact CB-CE 3.92Å; I37-M40 HydrophobicContact CG1-CE 3.5Å; I37-M40 HydrophobicContact CG2-CE 4.14Å; I37-M40 PolarHBondContact O-N 3.43Å; I37-M40 VanDerWaalsContact O-N 3.11Å; M40-L47 HydrophobicContact CE-CB 4.45Å; M40-L47 HydrophobicContact SD-CB 4.42Å; M40-H51 HydrophobicContact CG-CB 4.31Å
41P85.4Confident86.7Confident72 Ų7279.6 Ų79.647%0.46845%0.445SS..PPolyproline II helixtrans-62.1140174.624.8-31.4000110.1G43 S44P41-G43 PolarHBondContact O-N 3.48Å; P41-S44 WeakPolarHBondContact O-CB 3.43Å; P41-S44 PolarHBondContact O-N 3.1Å
42P84.5Confident86.7Confident139 Ų13978 Ų7890%0.90344%0.436SS*.THydrogen-bonded Turntrans-58.8128.6-179.224-33.2000110.1
43G84.3Confident86.6Confident72 Ų7282 Ų8274%0.74245%0.454SS*.THydrogen-bonded Turntrans96.8-10-176.600000114.7P41 N45P41-G43 PolarHBondContact O-N 3.48Å; G43-N45 PolarHBondContact O-N 2.97Å; G43-N45 PolarHBondContact O-ND2 3.08Å
44S82.3Confident86.5Confident40 Ų4082.1 Ų82.128%0.2845%0.453SS..  trans-74.2123.5167.6-175.50000110.5P41 V46P41-S44 WeakPolarHBondContact O-CB 3.43Å; P41-S44 PolarHBondContact O-N 3.1Å; S44-V46 PolarHBondContact OG-N 3.45Å; S44-V46 PolarHBondContact OG-O 3.46Å
45N83.5Confident86.4Confident157 Ų15775.8 Ų75.884%0.8443%0.426SS*.  trans-107.84.9172.9-64.3-66.8000112.1G43G43-N45 PolarHBondContact O-N 2.97Å; G43-N45 PolarHBondContact O-ND2 3.08Å
46V86.3Confident86.3Confident97 Ų9774.5 Ų74.559%0.58842%0.42SS*.  trans-118.5114.7-175.2-177.40000108.4S44 T48 H51S44-V46 PolarHBondContact OG-N 3.45Å; S44-V46 PolarHBondContact OG-O 3.46Å; V46-T48 HydrophobicContact CG1-CG2 4.33Å; V46-T48 PolarHBondContact O-N 3.33Å; V46-H51 PolarHBondContact O-CE1 3.24Å
47L86.2Confident86.1Confident75 Ų7582 Ų8239%0.39345%0.448SS..  trans-78113.9171.3-167.2155.6000108V33 T36 I37 M40V33-L47 HydrophobicContact CG1-CD1 4.11Å; T36-L47 HydrophobicContact CG2-CD1 3.92Å; T36-L47 HydrophobicContact CG2-CD2 4.34Å; T36-L47 HydrophobicContact CG2-CG 3.92Å; I37-L47 HydrophobicContact CG1-CD1 4.44Å; M40-L47 HydrophobicContact CE-CB 4.45Å; M40-L47 HydrophobicContact SD-CB 4.42Å
48T87.7Confident85.9Confident52 Ų5282.7 Ų82.732%0.31945%0.453SS..  trans-97.9159.8175.563.90000109.8V46 E50 H51 L52V46-T48 HydrophobicContact CG1-CG2 4.33Å; V46-T48 PolarHBondContact O-N 3.33Å; T48-E50 PolarHBondContact O-N 3.26Å; T48-H51 PolarHBondContact N-ND1 3.34Å; T48-H51 PolarHBondContact O-N 3.06Å; T48-H51 PolarHBondContact OG1-CE1 2.97Å; T48-H51 VanDerWaalsContact OG1-CE1 3.32Å; T48-H51 VanDerWaalsContact OG1-CG 3.3Å; T48-H51 PolarHBondContact OG1-N 2.92Å; T48-H51 PolarHBondContact OG1-ND1 3.4Å; T48-H51 VanDerWaalsContact OG1-ND1 3.11Å; T48-L52 PolarHBondContact O-N 3.21Å
49L86.1Confident85.7Confident128 Ų12879.3 Ų79.367%0.6743%0.434SS*.Hα-helixtrans-59.5-34.6172.9-72.7172.6000111.7H51 L52 E53L49-H51 VanDerWaalsContact C-N 3.34Å; L49-H51 PolarHBondContact O-N 3.19Å; L49-L52 WeakPolarHBondContact O-CB 3.43Å; L49-L52 PolarHBondContact O-N 3.2Å; L49-L52 VanDerWaalsContact O-N 3.12Å; L49-E53 WeakPolarHBondContact O-CG 3.43Å; L49-E53 PolarHBondContact O-N 2.95Å
50E86.5Confident85.6Confident127 Ų12778.5 Ų78.559%0.59344%0.44SS*.Hα-helixtrans-59-42.5176.5-175.6179.8-169.700112.4T48 L52 E53 N54T48-E50 PolarHBondContact O-N 3.26Å; E50-L52 VanDerWaalsContact C-N 3.3Å; E50-L52 PolarHBondContact O-N 3.25Å; E50-E53 PolarHBondContact O-N 2.68Å; E50-N54 WeakPolarHBondContact O-CB 3.27Å; E50-N54 PolarHBondContact O-N 2.85Å; E50-N54 PolarHBondContact O-ND2 3.24Å
51H87.5Confident85.6Confident35 Ų3582.3 Ų82.316%0.16246%0.455CS..Hα-helixtrans-61-42.1175.7-58.6145.2000111.3T36 M40 V46 T48 L49 V55T36-H51 HydrophobicContact CG2-CB 3.6Å; M40-H51 HydrophobicContact CG-CB 4.31Å; V46-H51 PolarHBondContact O-CE1 3.24Å; T48-H51 PolarHBondContact N-ND1 3.34Å; T48-H51 PolarHBondContact O-N 3.06Å; T48-H51 PolarHBondContact OG1-CE1 2.97Å; T48-H51 VanDerWaalsContact OG1-CE1 3.32Å; T48-H51 VanDerWaalsContact OG1-CG 3.3Å; T48-H51 PolarHBondContact OG1-N 2.92Å; T48-H51 PolarHBondContact OG1-ND1 3.4Å; T48-H51 VanDerWaalsContact OG1-ND1 3.11Å; L49-H51 VanDerWaalsContact C-N 3.34Å; L49-H51 PolarHBondContact O-N 3.19Å; H51-V55 WeakPolarHBondContact O-CG2 3.3Å; H51-V55 PolarHBondContact O-N 3.05Å; H51-V55 VanDerWaalsContact O-N 3.11Å
52L86.8Confident85.4Confident41 Ų4178.9 Ų78.922%0.21543%0.433CS..Hα-helixtrans-65.8-47.1179.1-169.271.8000111.3L32 T36 T48 L49 E50 N54 V55 M56L32-L52 HydrophobicContact CD1-CD1 3.86Å; L32-L52 HydrophobicContact CD2-CD1 3.72Å; L32-L52 HydrophobicContact CD2-CG 4.49Å; L32-L52 HydrophobicContact CG-CD1 3.55Å; T36-L52 HydrophobicContact CG2-CD1 4.5Å; T36-L52 VanDerWaalsContact OG1-CD1 3.31Å; T36-L52 WeakPolarHBondContact OG1-CD1 3.39Å; T48-L52 PolarHBondContact O-N 3.21Å; L49-L52 WeakPolarHBondContact O-CB 3.43Å; L49-L52 PolarHBondContact O-N 3.2Å; L49-L52 VanDerWaalsContact O-N 3.12Å; E50-L52 VanDerWaalsContact C-N 3.3Å; E50-L52 PolarHBondContact O-N 3.25Å; L52-N54 VanDerWaalsContact C-N 3.31Å; L52-N54 PolarHBondContact O-N 3.35Å; L52-V55 PolarHBondContact O-N 3.48Å; L52-M56 HydrophobicContact CG-SD 4.17Å; L52-M56 WeakPolarHBondContact O-CB 3.35Å; L52-M56 VanDerWaalsContact O-CG 3.26Å; L52-M56 WeakPolarHBondContact O-CG 3.41Å; L52-M56 PolarHBondContact O-N 3.36Å
53E85.8Confident85.1Confident99 Ų9978 Ų7846%0.46342%0.417SS..Hα-helixtrans-61.1-39.8178.2-74.4178.9-169.500112L49 E50 M56 R57L49-E53 WeakPolarHBondContact O-CG 3.43Å; L49-E53 PolarHBondContact O-N 2.95Å; E50-E53 PolarHBondContact O-N 2.68Å; E53-M56 PolarHBondContact O-N 3.24Å; E53-R57 VanDerWaalsContact O-CB 3.27Å; E53-R57 WeakPolarHBondContact O-CB 3.37Å; E53-R57 PolarHBondContact O-N 2.95Å
54N87.1Confident84.6Confident60 Ų6080.9 Ų80.932%0.32142%0.415SS..Hα-helixtrans-63.4-49.3176.2-71.4-17.6000111E50 L52 M56 R57 D58E50-N54 WeakPolarHBondContact O-CB 3.27Å; E50-N54 PolarHBondContact O-N 2.85Å; E50-N54 PolarHBondContact O-ND2 3.24Å; L52-N54 VanDerWaalsContact C-N 3.31Å; L52-N54 PolarHBondContact O-N 3.35Å; N54-M56 VanDerWaalsContact C-N 3.3Å; N54-M56 PolarHBondContact O-N 3.19Å; N54-R57 PolarHBondContact O-N 3.49Å; N54-R57 VanDerWaalsContact O-N 3.13Å; N54-D58 WeakPolarHBondContact O-CB 3.4Å; N54-D58 PolarHBondContact O-N 3.1Å
55V88.1Confident84.3Confident1 Ų182.1 Ų82.11%0.00642%0.418CS..Hα-helixtrans-60.6-40.3175.8169.50000111.9L32 E35 H39 H51 L52 R57 N59 Y62L32-V55 HydrophobicContact CD1-CG1 4.31Å; E35-V55 HydrophobicContact CB-CG1 3.84Å; H39-V55 HydrophobicContact CB-CG2 3.66Å; H51-V55 WeakPolarHBondContact O-CG2 3.3Å; H51-V55 PolarHBondContact O-N 3.05Å; H51-V55 VanDerWaalsContact O-N 3.11Å; L52-V55 PolarHBondContact O-N 3.48Å; V55-R57 VanDerWaalsContact C-N 3.32Å; V55-R57 PolarHBondContact O-N 3.25Å; V55-N59 WeakPolarHBondContact O-CB 3.48Å; V55-N59 PolarHBondContact O-N 3.15Å; V55-N59 VanDerWaalsContact O-N 3.09Å; V55-N59 PolarHBondContact O-ND2 3.36Å; V55-Y62 HydrophobicContact CG1-CE2 4.14Å
56M86.7Confident83.5Confident20 Ų2079 Ų7910%0.09940%0.401CS..Hα-helixtrans-66.4-33.3176.8-71.8-179.271.900113L32 L52 E53 N54 Y62 I65 L66L32-M56 HydrophobicContact CD1-CG 3.89Å; L32-M56 HydrophobicContact CD2-SD 4.49Å; L52-M56 HydrophobicContact CG-SD 4.17Å; L52-M56 WeakPolarHBondContact O-CB 3.35Å; L52-M56 VanDerWaalsContact O-CG 3.26Å; L52-M56 WeakPolarHBondContact O-CG 3.41Å; L52-M56 PolarHBondContact O-N 3.36Å; E53-M56 PolarHBondContact O-N 3.24Å; N54-M56 VanDerWaalsContact C-N 3.3Å; N54-M56 PolarHBondContact O-N 3.19Å; M56-Y62 HydrophobicContact CG-CD2 4.32Å; M56-Y62 HydrophobicContact CG-CG 4.19Å; M56-I65 HydrophobicContact CE-CB 3.69Å; M56-I65 HydrophobicContact CE-CG2 3.45Å; M56-I65 VanDerWaalsContact CE-CG2 3.45Å; M56-L66 HydrophobicContact CB-CD1 4.32Å; M56-L66 HydrophobicContact CB-CD2 3.95Å; M56-L66 HydrophobicContact CB-CG 4.24Å; M56-L66 HydrophobicContact CE-CD2 3.82Å; M56-L66 HydrophobicContact CE-CG 4.17Å; M56-L66 HydrophobicContact SD-CD2 4.42Å
57R85.2Confident82.6Confident157 Ų15778.6 Ų78.659%0.59240%0.402SS*.Hα-helixtrans-77-39.9178.3-169.8-176.3-65155.63.3112E53 N54 V55E53-R57 VanDerWaalsContact O-CB 3.27Å; E53-R57 WeakPolarHBondContact O-CB 3.37Å; E53-R57 PolarHBondContact O-N 2.95Å; N54-R57 PolarHBondContact O-N 3.49Å; N54-R57 VanDerWaalsContact O-N 3.13Å; V55-R57 VanDerWaalsContact C-N 3.32Å; V55-R57 PolarHBondContact O-N 3.25Å
58D85.4Confident81.6Confident104 Ų10482.1 Ų82.156%0.55642%0.415SS*.Hα-helixtrans-75.6-26.4-176.7-68-17.9000112.3N54N54-D58 WeakPolarHBondContact O-CB 3.4Å; N54-D58 PolarHBondContact O-N 3.1Å
59N82.6Confident79.8Confident44 Ų4490.4 Ų90.424%0.23544%0.44CS..  trans-101.3117.1-179.6-72.3-77.7000111.8V55 K61 Y62V55-N59 WeakPolarHBondContact O-CB 3.48Å; V55-N59 PolarHBondContact O-N 3.15Å; V55-N59 VanDerWaalsContact O-N 3.09Å; V55-N59 PolarHBondContact O-ND2 3.36Å; N59-K61 PolarHBondContact O-N 3.49Å; N59-Y62 HydrophobicContact CB-CD2 3.59Å; N59-Y62 HydrophobicContact CB-CE2 3.79Å; N59-Y62 PolarHBondContact O-N 2.91Å; N59-Y62 VanDerWaalsContact O-N 3.07Å
60P83.9Confident78.5Confident98 Ų9888.5 Ų88.564%0.63644%0.435SS*.G310 helixtrans-60.3-22.118024-33.4000113.1Y62 Q63P60-Y62 PolarHBondContact O-N 3.4Å; P60-Q63 PolarHBondContact O-N 3.15Å
61K84.8Confident76.9Confident111 Ų11191.1 Ų91.148%0.48345%0.448SS..G310 helixtrans-53.9-31.4174.6-177.1-179.1172.7-170.50113.2E35 N59E35-K61 IonicContact OE1-NZ 3.47Å; E35-K61 PolarHBondContact OE1-NZ 3.25Å; N59-K61 PolarHBondContact O-N 3.49Å
62Y83.1Confident74.9Confident0 Ų098 Ų980%048%0.48CS..G310 helixtrans-103.11.3-173.3-54.2-61.7000114.3F28 L32 E35 V55 M56 N59 P60 N64 I65 L66F28-Y62 AromaticContact CE2-CD1 3.83Å; F28-Y62 HydrophobicContact CE2-CD1 3.83Å; F28-Y62 AromaticContact CE2-CE1 3.56Å; F28-Y62 HydrophobicContact CE2-CE1 3.56Å; F28-Y62 AromaticContact CZ-CD1 3.78Å; F28-Y62 HydrophobicContact CZ-CD1 3.78Å; F28-Y62 AromaticContact CZ-CE1 3.7Å; F28-Y62 HydrophobicContact CZ-CE1 3.7Å; L32-Y62 HydrophobicContact CB-CE1 4.37Å; L32-Y62 HydrophobicContact CD1-CD1 4.29Å; L32-Y62 HydrophobicContact CD1-CD2 4.23Å; L32-Y62 HydrophobicContact CD1-CE1 3.84Å; L32-Y62 HydrophobicContact CD1-CE2 3.81Å; L32-Y62 HydrophobicContact CD1-CG 4.46Å; E35-Y62 PolarHBondContact OE1-OH 3.4Å; E35-Y62 WeakPolarHBondContact OE2-CE2 3.41Å; E35-Y62 PolarHBondContact OE2-OH 3.32Å; E35-Y62 VanDerWaalsContact OE2-OH 3.14Å; V55-Y62 HydrophobicContact CG1-CE2 4.14Å; M56-Y62 HydrophobicContact CG-CD2 4.32Å; M56-Y62 HydrophobicContact CG-CG 4.19Å; N59-Y62 HydrophobicContact CB-CD2 3.59Å; N59-Y62 HydrophobicContact CB-CE2 3.79Å; N59-Y62 PolarHBondContact O-N 2.91Å; N59-Y62 VanDerWaalsContact O-N 3.07Å; P60-Y62 PolarHBondContact O-N 3.4Å; Y62-N64 PolarHBondContact O-N 3.14Å; Y62-I65 HydrophobicContact CD1-CD1 3.99Å; Y62-I65 WeakPolarHBondContact O-CB 3.28Å; Y62-I65 PolarHBondContact O-N 2.98Å; Y62-L66 PolarHBondContact O-N 3.32Å
63Q76.3Confident72.9Confident119 Ų119100.7 Ų100.756%0.55651%0.508SS*.Hα-helixtrans-56.5-38.3-178.5-76.3-168.50.900112.9P60 I65 L66 S67P60-Q63 PolarHBondContact O-N 3.15Å; Q63-I65 PolarHBondContact O-N 3.29Å; Q63-L66 PolarHBondContact O-N 3.38Å; Q63-S67 PolarHBondContact O-N 3.36Å; Q63-S67 PolarHBondContact O-OG 3.26Å
64N75Confident71Confident133 Ų13399.8 Ų99.871%0.71152%0.517SS*.Hα-helixtrans-63.4-24.7178.9-64.8-26.5000113.2Y62 S67Y62-N64 PolarHBondContact O-N 3.14Å; N64-S67 WeakPolarHBondContact CA-OG 3.37Å; N64-S67 PolarHBondContact O-OG 2.94Å
65I75.2Confident68.9Low67 Ų67105.6 Ų105.634%0.34454%0.543SS..Hα-helixtrans-84.7-36.8179.8-54.3173.8000110.1F28 M56 Y62 Q63 S67 F68F28-I65 HydrophobicContact CE1-CD1 3.85Å; F28-I65 HydrophobicContact CE2-CD1 3.66Å; F28-I65 HydrophobicContact CZ-CD1 3.06Å; M56-I65 HydrophobicContact CE-CB 3.69Å; M56-I65 HydrophobicContact CE-CG2 3.45Å; M56-I65 VanDerWaalsContact CE-CG2 3.45Å; Y62-I65 HydrophobicContact CD1-CD1 3.99Å; Y62-I65 WeakPolarHBondContact O-CB 3.28Å; Y62-I65 PolarHBondContact O-N 2.98Å; Q63-I65 PolarHBondContact O-N 3.29Å; I65-S67 PolarHBondContact O-N 3.35Å; I65-F68 VanDerWaalsContact O-CB 3.28Å; I65-F68 WeakPolarHBondContact O-CB 3.44Å; I65-F68 PolarHBondContact O-N 2.72Å
66L66.7Low66.7Low91 Ų91112.2 Ų112.248%0.47658%0.583SS.*Hα-helixtrans-62.8-29.8174.5-66.8176.7000112.2M56 Y62 Q63 F68M56-L66 HydrophobicContact CB-CD1 4.32Å; M56-L66 HydrophobicContact CB-CD2 3.95Å; M56-L66 HydrophobicContact CB-CG 4.24Å; M56-L66 HydrophobicContact CE-CD2 3.82Å; M56-L66 HydrophobicContact CE-CG 4.17Å; M56-L66 HydrophobicContact SD-CD2 4.42Å; Y62-L66 PolarHBondContact O-N 3.32Å; Q63-L66 PolarHBondContact O-N 3.38Å; L66-F68 VanDerWaalsContact C-N 3.34Å
67S67.8Low64.6Low88 Ų88116.3 Ų116.362%0.61561%0.614SS**THydrogen-bonded Turntrans-82.3-8.5172.752.80000114.4Q63 N64 I65 R69Q63-S67 PolarHBondContact O-N 3.36Å; Q63-S67 PolarHBondContact O-OG 3.26Å; N64-S67 WeakPolarHBondContact CA-OG 3.37Å; N64-S67 PolarHBondContact O-OG 2.94Å; I65-S67 PolarHBondContact O-N 3.35Å; S67-R69 PolarHBondContact O-N 3Å
68F64.5Low62.8Low150 Ų150113.3 Ų113.366%0.65862%0.623SS**  trans-75.598.5-175.8-168.2-95.8000110.1I65 L66 P70I65-F68 VanDerWaalsContact O-CB 3.28Å; I65-F68 WeakPolarHBondContact O-CB 3.44Å; I65-F68 PolarHBondContact O-N 2.72Å; L66-F68 VanDerWaalsContact C-N 3.34Å; F68-P70 HydrophobicContact CE1-CB 4.16Å; F68-P70 WeakPolarHBondContact O-CD 3.25Å
69R51.7Low60.8Low225 Ų225113.6 Ų113.685%0.84963%0.633SS**  trans-82.2115.1162.4-169.3177.1-173166.71.4106.3S67 E71S67-R69 PolarHBondContact O-N 3Å; R69-E71 PolarHBondContact O-N 3.25Å
70P57.4Low59.3Low88 Ų88118.5 Ų118.557%0.57166%0.659SS**  trans-58114.6170.322.8-29.6000106.9F68 Q72F68-P70 HydrophobicContact CE1-CB 4.16Å; F68-P70 WeakPolarHBondContact O-CD 3.25Å; P70-Q72 VanDerWaalsContact C-N 3.32Å; P70-Q72 PolarHBondContact O-N 2.93Å
71E54.4Low57.2Low182 Ų182120.2 Ų120.285%0.8566%0.663SS**  trans-56.5106.5162.9-170168.9107.100104.3R69 A73R69-E71 PolarHBondContact O-N 3.25Å; E71-A73 PolarHBondContact O-N 2.99Å
72Q44.6Very low55.7Low180 Ų180120.7 Ų120.784%0.84168%0.675SS**  trans-54.9115.5171.2-80.8-162.9-1700104.9P70 A74P70-Q72 VanDerWaalsContact C-N 3.32Å; P70-Q72 PolarHBondContact O-N 2.93Å; Q72-A74 PolarHBondContact O-N 2.91Å
73A44.5Very low53.8Low97 Ų97126.4 Ų126.480%0.80271%0.71SS**  trans-55.895.5170.200000105.9E71 E75E71-A73 PolarHBondContact O-N 2.99Å; A73-E75 PolarHBondContact O-N 2.92Å
74A45.6Very low52.7Low80 Ų80125 Ų12566%0.66172%0.719SS**  trans-61.4109.3173.400000105.4Q72 T76Q72-A74 PolarHBondContact O-N 2.91Å; A74-T76 PolarHBondContact O-N 3.33Å; A74-T76 PolarHBondContact O-OG1 2.71Å
75E42.6Very low51.4Low183 Ų183127.7 Ų127.786%0.85573%0.727SS**  trans-17.693.7162.1-59.3171.7111.700111A73 S77A73-E75 PolarHBondContact O-N 2.92Å; E75-S77 VanDerWaalsContact C-N 3.28Å; E75-S77 PolarHBondContact O-N 2.98Å
76T42.4Very low50Low140 Ų140129.8 Ų129.886%0.85975%0.748SS**  trans-81.889.5171.6-44.90000106A74 A78A74-T76 PolarHBondContact O-N 3.33Å; A74-T76 PolarHBondContact O-OG1 2.71Å; T76-A78 PolarHBondContact O-N 3.28Å
77S42.6Very low48.7Very low105 Ų105131.6 Ų131.673%0.73476%0.763SS**  trans-54.2106.7169.7-58.80000109.5E75 S79E75-S77 VanDerWaalsContact C-N 3.28Å; E75-S77 PolarHBondContact O-N 2.98Å; S77-S79 VanDerWaalsContact C-N 3.28Å; S77-S79 PolarHBondContact O-N 2.87Å
78A48.3Very low47.8Very low95 Ų95132.3 Ų132.379%0.78577%0.768SS**  trans-73.988.3163.300000107.9T76T76-A78 PolarHBondContact O-N 3.28Å
79S43.7Very low47Very low109 Ų109133.9 Ų133.976%0.76278%0.777SS**  trans-92.888.6164.3-163.90000106.5S77 D81S77-S79 VanDerWaalsContact C-N 3.28Å; S77-S79 PolarHBondContact O-N 2.87Å; S79-D81 PolarHBondContact O-N 3.06Å
80D49.8Very low47Very low148 Ų148131.4 Ų131.479%0.79178%0.775SS**  trans-83.188.5167.9-102.9-64.8000108.2T82D80-T82 PolarHBondContact O-N 3.04Å
81D40.9Very low46.4Very low134 Ų134136 Ų13672%0.71779%0.791SS**  trans-73106.9155.5-173.370.8000107S79S79-D81 PolarHBondContact O-N 3.06Å
82T53.6Low46.2Very low121 Ų121132.6 Ų132.674%0.74279%0.788SS**  trans-140.499.5159.9-66.20000109.7D80D80-T82 PolarHBondContact O-N 3.04Å
83T43.6Very low46.1Very low120 Ų120130.1 Ų130.174%0.73679%0.787SS**  trans-55.1124.5163-66.30000111.5
84A52.2Low46.2Very low88 Ų88130.1 Ų130.173%0.72778%0.781SS**  trans-176.2117.4138.200000114.1
85Q48Very low46.2Very low190 Ų190134.6 Ų134.689%0.88879%0.792SS**  trans68.390142.3-71-174-24.800121.2
86S44.5Very low46.4Very low112 Ų112134.1 Ų134.178%0.78379%0.79SS**  15122.2116.9-146.90000118.1
87T39.7Very low46.8Very low129 Ų129135.9 Ų135.979%0.79179%0.788SS**  -174.1111117.1-63.80000111.4
88S50.5Low46.7Very low103 Ų103138.3 Ų138.372%0.7279%0.793SS**  trans52.4129.6140.3-53.80000124.7
89Q47.5Very low46.6Very low182 Ų182141.8 Ų141.885%0.8579%0.793SS**  trans109.1107.6141.4-81.917613.800120.1
90E50.3Low46.7Very low174 Ų174145.5 Ų145.581%0.81380%0.796SS**  110.5101.9129.5-143.9162.6100.200119.3
91M45.5Very low46.5Very low184 Ų184143.5 Ų143.591%0.90679%0.792SS**  trans5.1128.4157-75.8156.3176.700121.5
92S49.9Very low46.7Very low111 Ų111142.7 Ų142.778%0.77679%0.794SS**  trans-136145155.7-75.40000110.4
93P42.4Very low46.7Very low127 Ų127147.7 Ų147.783%0.82580%0.8SS**  trans-119.9110.8139.632.5-20.4000108.3
94S46.7Very low47.1Very low97 Ų97147.3 Ų147.368%0.67880%0.799SS**  trans-144.298168.8-80.60000109.2H96S94-H96 PolarHBondContact O-N 3.03Å
95I45.3Very low46.9Very low175 Ų175151.8 Ų151.890%0.89781%0.81SS**  trans6.7102136.919.7173.2000113.6
96H47.9Very low46.7Very low172 Ų172149.4 Ų149.480%0.79680%0.803SS**  trans-127111.1164.9-164.8-45.4000107.8S94S94-H96 PolarHBondContact O-N 3.03Å
97E50.4Low47Very low178 Ų178149.6 Ų149.683%0.83280%0.804SS**  trans-79.6128.1168.8-50.7-162.8118.200107.6E99E97-E99 PolarHBondContact O-N 3.29Å
98D40.9Very low47.1Very low156 Ų156149.4 Ų149.483%0.83481%0.807SS**  trans-86.882.3-171.8-162.8-86.8000109.2
99E45.5Very low46.9Very low167 Ų167156 Ų15678%0.7882%0.816SS**  trans-170.6101.8163.5-153.4173103.600111.3E97E97-E99 PolarHBondContact O-N 3.29Å
100F45.9Very low46.6Very low187 Ų187154.7 Ų154.782%0.8281%0.814SS**  trans175.2123.5136.4-120.7-110.4000112.2P102F100-P102 VanDerWaalsContact O-CD 3.29Å; F100-P102 WeakPolarHBondContact O-CD 3.29Å
101C46.1Very low46.5Very low107 Ų107157.8 Ų157.872%0.72384%0.835SS**  trans-64.2123167.4-77.10000111.4
102P44.9Very low46.5Very low117 Ų117156.5 Ų156.576%0.7683%0.831SS**  trans-109.592.8168.333.6-16.8000108.7F100F100-P102 VanDerWaalsContact O-CD 3.29Å; F100-P102 WeakPolarHBondContact O-CD 3.29Å
103W54.2Low46.3Very low226 Ų226158.8 Ų158.886%0.85683%0.834SS**  trans-93.9129.2164.9-73.566.1000108.8L105W103-L105 PolarHBondContact O-N 3.23Å
104P51.8Low46.6Very low112 Ų112160.6 Ų160.673%0.72784%0.835SS**  trans-68.4125.6-178.726.6-30.6000110.1D106P104-D106 PolarHBondContact O-N 3.47Å
105L46.6Very low46.5Very low182 Ų182164.4 Ų164.495%0.95384%0.844SS**  trans-67.271.4161.1-83.8153.5000109.1W103W103-L105 PolarHBondContact O-N 3.23Å
106D45.4Very low46.6Very low140 Ų140163.7 Ų163.775%0.74984%0.841SS**  trans-15382.8170-141.8-61.1000112.2P104P104-D106 PolarHBondContact O-N 3.47Å
107S50.8Low46.5Very low115 Ų115163.1 Ų163.180%0.80484%0.844SS**  trans-173.474.4142.3-91.70000109.7R109S107-R109 VanDerWaalsContact C-N 3.31Å; S107-R109 PolarHBondContact O-N 3.31Å
108C40.5Very low46.3Very low125 Ų125162.1 Ų162.185%0.84584%0.844SS**  trans-56.295.9151.4-73.10000109.2
109R46.7Very low46.7Very low242 Ų242162.5 Ų162.591%0.91385%0.845SS**  trans-113.878.4149.4-114.1-172.6174.9-169.1-0.9108.4S107S107-R109 VanDerWaalsContact C-N 3.31Å; S107-R109 PolarHBondContact O-N 3.31Å
110L42Very low46.8Very low155 Ų155162.2 Ų162.281%0.81285%0.851SS**  trans-80.5131.1156.6-100.4145.9000106.8
111L46.4Very low46.9Very low238 Ų238159.9 Ų159.9100%1.24685%0.853SS**  trans82.40-178.6-61.1162.4000115.9

Retrieved 111 of 111 residues in 51 ms (Link to these results)