G4VER7_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession G4VER7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 116 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
1M35.8Very low41.3Very low245 Ų245162.4 Ų162.4100%1.20788%0.879SS**  097.90-114.6173.4177.900106.5
2E37.3Very low41.4Very low188 Ų188160.3 Ų160.388%0.87986%0.864SS**  trans-172.5111165-111170-165.700107.3
3C40.6Very low41.6Very low133 Ų133155.8 Ų155.890%0.89985%0.853SS**  trans-118.1103.8168.1-67.90000107R5C3-R5 PolarHBondContact O-N 3.47Å
4V42.8Very low42.4Very low137 Ų137153.1 Ų153.183%0.8384%0.844SS**PPolyproline II helixtrans-67.2122.8173.9173.50000109.1
5R47.9Very low42.8Very low238 Ų238150.7 Ų150.790%0.89884%0.838SS**PPolyproline II helixtrans-75.6122.3178.9-152.3174.7-168.9174.52.5109.7C3C3-R5 PolarHBondContact O-N 3.47Å
6T41.5Very low43.4Very low137 Ų137146.3 Ų146.384%0.8483%0.827SS**PPolyproline II helixtrans-56.4130177.547.70000113.3
7G39.2Very low44Very low81 Ų81143 Ų14384%0.83581%0.813SS**  trans-124.435175.600000114.1
8K42.7Very low44.5Very low201 Ų201143.2 Ų143.287%0.87481%0.806SS**  trans-91.599.9169.2-80-175.8176.6179.70109.1E10K8-E10 PolarHBondContact O-N 2.96Å
9A43.4Very low45.2Very low96 Ų96142.5 Ų142.579%0.79380%0.8SS**  trans-66.691.4160.200000107.5I11A9-I11 PolarHBondContact O-N 3.07Å; A9-I11 VanDerWaalsContact O-N 3.09Å
10E36.3Very low46.1Very low172 Ų172139 Ų13980%0.80478%0.779SS**  trans-63.9108169.1-137.9170.8-160.200106.9K8 I12K8-E10 PolarHBondContact O-N 2.96Å; E10-I12 PolarHBondContact O-N 3.48Å
11I47.2Very low47.4Very low158 Ų158137.3 Ų137.381%0.8177%0.768SS**  trans-67.291.6170.8-60.8171.1000105.5A9 S13A9-I11 PolarHBondContact O-N 3.07Å; A9-I11 VanDerWaalsContact O-N 3.09Å; I11-S13 VanDerWaalsContact C-N 3.3Å; I11-S13 PolarHBondContact O-N 3.1Å
12I42.6Very low48.9Very low137 Ų137133.1 Ų133.170%0.70374%0.74SS**  trans-63.299.5167-60.2172.3000105.6E10 T14E10-I12 PolarHBondContact O-N 3.48Å; I12-T14 VanDerWaalsContact C-N 3.33Å; I12-T14 PolarHBondContact O-N 3.04Å
13S43.2Very low50.4Low102 Ų102126.5 Ų126.571%0.71371%0.71SS**  trans-58.498.2166.452.90000107.4I11 P15I11-S13 VanDerWaalsContact C-N 3.3Å; I11-S13 PolarHBondContact O-N 3.1Å; S13-P15 WeakPolarHBondContact O-CD 3.39Å
14T53Low51.9Low119 Ų119128.4 Ų128.473%0.7370%0.698SS**PPolyproline II helixtrans-63.7121.4172.838.80000107.7I12 A16I12-T14 VanDerWaalsContact C-N 3.33Å; I12-T14 PolarHBondContact O-N 3.04Å; T14-A16 PolarHBondContact O-N 3.26Å
15P48.1Very low53.5Low117 Ų117126.5 Ų126.576%0.7668%0.68SS**PPolyproline II helixtrans-59.6130.8176.623-31000108.4S13S13-P15 WeakPolarHBondContact O-CD 3.39Å
16A52.1Low55Low80 Ų80120.1 Ų120.166%0.66166%0.656SS**PPolyproline II helixtrans-50.5131.5175.500000109.1T14 Q18T14-A16 PolarHBondContact O-N 3.26Å; A16-Q18 PolarHBondContact O-N 3.1Å; A16-Q18 VanDerWaalsContact O-N 3.15Å
17P54.8Low56.6Low90 Ų90115 Ų11558%0.58462%0.624SS**PPolyproline II helixtrans-59124.4-173.220.9-31.1000109.5N19 N20P17-N19 PolarHBondContact O-N 3.06Å; P17-N20 WeakPolarHBondContact O-CB 3.33Å; P17-N20 PolarHBondContact O-N 2.85Å
18Q52.2Low58.3Low146 Ų146114 Ų11468%0.68260%0.604SS**THydrogen-bonded Turntrans-49-26.4-178-69.4-178.2-19.300113.2A16 N20 I21 Y22A16-Q18 PolarHBondContact O-N 3.1Å; A16-Q18 VanDerWaalsContact O-N 3.15Å; Q18-N20 PolarHBondContact O-N 2.9Å; Q18-N20 VanDerWaalsContact O-N 3.13Å; Q18-I21 PolarHBondContact O-N 3.09Å; Q18-I21 VanDerWaalsContact O-N 3.1Å; Q18-Y22 WeakPolarHBondContact O-CD2 3.43Å
19N57.7Low60Low131 Ų131112.7 Ų112.770%0.70159%0.594SS**Hα-helixtrans-53-30.4173.3-73.10.3000114.2P17 L23P17-N19 PolarHBondContact O-N 3.06Å; N19-L23 WeakPolarHBondContact O-CB 3.04Å; N19-L23 PolarHBondContact O-N 2.68Å; N19-L23 VanDerWaalsContact O-N 3.14Å
20N63.6Low61.7Low72 Ų72112.4 Ų112.439%0.38558%0.575SS.*Hα-helixtrans-73.6-29.9-178.2-143.9-21.7000111.9P17 Q18 R24P17-N20 WeakPolarHBondContact O-CB 3.33Å; P17-N20 PolarHBondContact O-N 2.85Å; Q18-N20 PolarHBondContact O-N 2.9Å; Q18-N20 VanDerWaalsContact O-N 3.13Å; N20-R24 WeakPolarHBondContact O-CB 3.34Å; N20-R24 WeakPolarHBondContact O-CD 3.48Å; N20-R24 WeakPolarHBondContact O-CG 3.24Å; N20-R24 PolarHBondContact O-N 3.14Å; N20-R24 VanDerWaalsContact O-N 3.09Å; N20-R24 PolarHBondContact OD1-NE 2.84Å
21I72.8Confident63.8Low104 Ų104108.4 Ų108.453%0.53356%0.558SS.*Hα-helixtrans-73.1-49.2178.5-61.5173.4000110.2Q18 L23 R24 Q25Q18-I21 PolarHBondContact O-N 3.09Å; Q18-I21 VanDerWaalsContact O-N 3.1Å; I21-L23 VanDerWaalsContact C-N 3.29Å; I21-L23 PolarHBondContact O-N 3.2Å; I21-R24 PolarHBondContact O-N 3.18Å; I21-Q25 WeakPolarHBondContact O-CG 3.36Å; I21-Q25 PolarHBondContact O-N 2.96Å
22Y67.1Low65.1Low157 Ų157105.2 Ų105.262%0.61654%0.543SS*.Hα-helixtrans-59.9-41.2177.7-72.4-69.3000112.1Q18 Q25 W26Q18-Y22 WeakPolarHBondContact O-CD2 3.43Å; Y22-Q25 PolarHBondContact O-N 3.46Å; Y22-W26 WeakPolarHBondContact O-CB 3.35Å; Y22-W26 PolarHBondContact O-N 3.1Å
23L70Confident66.7Low48 Ų48103.3 Ų103.325%0.25153%0.534SS..Hα-helixtrans-63.4-45.4176.5-179.366000111.9N19 I21 Q25 W26 V27 I76N19-L23 WeakPolarHBondContact O-CB 3.04Å; N19-L23 PolarHBondContact O-N 2.68Å; N19-L23 VanDerWaalsContact O-N 3.14Å; I21-L23 VanDerWaalsContact C-N 3.29Å; I21-L23 PolarHBondContact O-N 3.2Å; L23-Q25 VanDerWaalsContact C-N 3.33Å; L23-Q25 PolarHBondContact O-N 2.99Å; L23-W26 PolarHBondContact O-N 3.34Å; L23-V27 HydrophobicContact CD1-CG2 4.28Å; L23-V27 HydrophobicContact CG-CG2 4.38Å; L23-V27 WeakPolarHBondContact O-CG2 3.37Å; L23-V27 PolarHBondContact O-N 2.9Å; L23-I76 HydrophobicContact CD1-CD1 3.39Å; L23-I76 HydrophobicContact CD2-CB 4.43Å; L23-I76 HydrophobicContact CD2-CD1 4.02Å; L23-I76 HydrophobicContact CD2-CG2 3.53Å; L23-I76 HydrophobicContact CG-CD1 4.31Å
24R72.6Confident68.3Low174 Ų17499.7 Ų99.766%0.65751%0.506SS*.Hα-helixtrans-60.1-43.6177.1-76.9170-176.8-97.12.6111.8N20 I21 W26 V27 S28N20-R24 WeakPolarHBondContact O-CB 3.34Å; N20-R24 WeakPolarHBondContact O-CD 3.48Å; N20-R24 WeakPolarHBondContact O-CG 3.24Å; N20-R24 PolarHBondContact O-N 3.14Å; N20-R24 VanDerWaalsContact O-N 3.09Å; N20-R24 PolarHBondContact OD1-NE 2.84Å; I21-R24 PolarHBondContact O-N 3.18Å; R24-W26 VanDerWaalsContact C-N 3.34Å; R24-W26 PolarHBondContact O-N 2.63Å; R24-V27 PolarHBondContact O-N 3.49Å; R24-S28 WeakPolarHBondContact O-CB 3.41Å; R24-S28 PolarHBondContact O-N 3.15Å
25Q76.1Confident69.5Low97 Ų9799.2 Ų99.245%0.45350%0.499SS..Hα-helixtrans-62.1-42175.3-71.5179.9-6.900111.7I21 Y22 L23 S28 R29I21-Q25 WeakPolarHBondContact O-CG 3.36Å; I21-Q25 PolarHBondContact O-N 2.96Å; Y22-Q25 PolarHBondContact O-N 3.46Å; L23-Q25 VanDerWaalsContact C-N 3.33Å; L23-Q25 PolarHBondContact O-N 2.99Å; Q25-S28 PolarHBondContact O-N 3.39Å; Q25-R29 WeakPolarHBondContact O-CG 3.45Å; Q25-R29 PolarHBondContact O-N 3.01Å
26W78.2Confident70.9Confident104 Ų10497.3 Ų97.339%0.39449%0.487SS..Hα-helixtrans-64.5-46.2177.4-175.995.4000112.1Y22 L23 R24 S28 R29 K30 L69 L72Y22-W26 WeakPolarHBondContact O-CB 3.35Å; Y22-W26 PolarHBondContact O-N 3.1Å; L23-W26 PolarHBondContact O-N 3.34Å; R24-W26 VanDerWaalsContact C-N 3.34Å; R24-W26 PolarHBondContact O-N 2.63Å; W26-S28 VanDerWaalsContact C-N 3.34Å; W26-S28 PolarHBondContact O-N 2.83Å; W26-R29 PolarHBondContact O-N 3.47Å; W26-K30 HydrophobicContact CD2-CG 4.09Å; W26-K30 HydrophobicContact CE3-CG 4.03Å; W26-K30 HydrophobicContact CH2-CD 4.38Å; W26-K30 HydrophobicContact CH2-CG 3.76Å; W26-K30 HydrophobicContact CZ2-CD 4.2Å; W26-K30 HydrophobicContact CZ2-CG 3.87Å; W26-K30 HydrophobicContact CZ3-CG 3.85Å; W26-K30 WeakPolarHBondContact O-CG 3.39Å; W26-K30 PolarHBondContact O-N 2.9Å; W26-L69 HydrophobicContact CH2-CD1 4.28Å; W26-L69 HydrophobicContact CZ3-CD1 3.77Å; W26-L72 HydrophobicContact CE3-CD2 4.22Å; W26-L72 HydrophobicContact CH2-CD2 3.17Å; W26-L72 HydrophobicContact CZ2-CD2 4.07Å; W26-L72 HydrophobicContact CZ3-CD2 3.27Å
27V75.1Confident72.2Confident28 Ų2896.9 Ų96.917%0.1747%0.473CS..Hα-helixtrans-61-44.5176.4172.10000110.4L23 R24 R29 K30 I31L23-V27 HydrophobicContact CD1-CG2 4.28Å; L23-V27 HydrophobicContact CG-CG2 4.38Å; L23-V27 WeakPolarHBondContact O-CG2 3.37Å; L23-V27 PolarHBondContact O-N 2.9Å; R24-V27 PolarHBondContact O-N 3.49Å; V27-R29 PolarHBondContact O-N 2.95Å; V27-K30 PolarHBondContact O-N 3.15Å; V27-K30 VanDerWaalsContact O-N 3.16Å; V27-I31 HydrophobicContact CG1-CD1 3.81Å; V27-I31 HydrophobicContact CG1-CG1 4.37Å; V27-I31 WeakPolarHBondContact O-CG1 3.38Å; V27-I31 PolarHBondContact O-N 2.88Å
28S75.4Confident73.2Confident60 Ų6096.3 Ų96.342%0.4247%0.465SS..Hα-helixtrans-59.7-45177179.30000112.2R24 Q25 W26 K30 I31 N32R24-S28 WeakPolarHBondContact O-CB 3.41Å; R24-S28 PolarHBondContact O-N 3.15Å; Q25-S28 PolarHBondContact O-N 3.39Å; W26-S28 VanDerWaalsContact C-N 3.34Å; W26-S28 PolarHBondContact O-N 2.83Å; S28-K30 VanDerWaalsContact C-N 3.32Å; S28-K30 PolarHBondContact O-N 3.02Å; S28-I31 PolarHBondContact O-N 3.42Å; S28-N32 PolarHBondContact O-N 3.29Å; S28-N32 PolarHBondContact O-ND2 2.82Å
29R78.8Confident74.3Confident175 Ų17593.7 Ų93.766%0.6646%0.455SS*.Hα-helixtrans-59.7-41.1174.4-73.2175.4-179-176.51.5112.1Q25 W26 V27 N32 N33Q25-R29 WeakPolarHBondContact O-CG 3.45Å; Q25-R29 PolarHBondContact O-N 3.01Å; W26-R29 PolarHBondContact O-N 3.47Å; V27-R29 PolarHBondContact O-N 2.95Å; R29-N32 PolarHBondContact O-N 2.84Å; R29-N33 PolarHBondContact O-N 2.57Å; R29-N33 PolarHBondContact O-OD1 3.27Å
30K78.4Confident75.3Confident89 Ų8990.4 Ų90.439%0.38744%0.44SS..Hα-helixtrans-66.8-42.1177.8-70.1-62.5-173.8-179.70112.5W26 V27 S28 N33 I34 L69W26-K30 HydrophobicContact CD2-CG 4.09Å; W26-K30 HydrophobicContact CE3-CG 4.03Å; W26-K30 HydrophobicContact CH2-CD 4.38Å; W26-K30 HydrophobicContact CH2-CG 3.76Å; W26-K30 HydrophobicContact CZ2-CD 4.2Å; W26-K30 HydrophobicContact CZ2-CG 3.87Å; W26-K30 HydrophobicContact CZ3-CG 3.85Å; W26-K30 WeakPolarHBondContact O-CG 3.39Å; W26-K30 PolarHBondContact O-N 2.9Å; V27-K30 PolarHBondContact O-N 3.15Å; V27-K30 VanDerWaalsContact O-N 3.16Å; S28-K30 VanDerWaalsContact C-N 3.32Å; S28-K30 PolarHBondContact O-N 3.02Å; K30-N33 PolarHBondContact O-N 2.56Å; K30-I34 WeakPolarHBondContact O-CG1 3.21Å; K30-I34 PolarHBondContact O-N 3.33Å; K30-L69 HydrophobicContact CB-CD1 4.1Å
31I79.8Confident75.7Confident88 Ų8888.3 Ų88.345%0.45143%0.429SS..Hα-helixtrans-61.5-46175.4-68.3169.8000110.6V27 S28 N33 I34 L35 L69V27-I31 HydrophobicContact CG1-CD1 3.81Å; V27-I31 HydrophobicContact CG1-CG1 4.37Å; V27-I31 WeakPolarHBondContact O-CG1 3.38Å; V27-I31 PolarHBondContact O-N 2.88Å; S28-I31 PolarHBondContact O-N 3.42Å; I31-N33 VanDerWaalsContact C-N 3.31Å; I31-N33 PolarHBondContact O-N 3.23Å; I31-I34 PolarHBondContact O-N 2.85Å; I31-L35 PolarHBondContact O-N 3.26Å; I31-L69 HydrophobicContact CG1-CD2 4.24Å
32N76.5Confident75.7Confident92 Ų9285.8 Ų85.849%0.49242%0.42SS..Hα-helixtrans-61.5-39178.1-72.7-18.8000112.3S28 R29 L35 C36S28-N32 PolarHBondContact O-N 3.29Å; S28-N32 PolarHBondContact O-ND2 2.82Å; R29-N32 PolarHBondContact O-N 2.84Å; N32-L35 PolarHBondContact O-N 3.15Å; N32-C36 WeakPolarHBondContact O-CB 3.46Å; N32-C36 PolarHBondContact O-N 3.11Å
33N76Confident76Confident97 Ų9783.2 Ų83.252%0.51941%0.414SS..Hα-helixtrans-65-42.8175-74.7-2.2000112.1R29 K30 I31 L35 C36 I37R29-N33 PolarHBondContact O-N 2.57Å; R29-N33 PolarHBondContact O-OD1 3.27Å; K30-N33 PolarHBondContact O-N 2.56Å; I31-N33 VanDerWaalsContact C-N 3.31Å; I31-N33 PolarHBondContact O-N 3.23Å; N33-L35 VanDerWaalsContact C-N 3.34Å; N33-C36 WeakPolarHBondContact O-CB 3.24Å; N33-C36 PolarHBondContact O-N 3.32Å; N33-I37 WeakPolarHBondContact O-CG1 3.37Å; N33-I37 PolarHBondContact O-N 2.93Å
34I76.6Confident76.1Confident25 Ų2583.7 Ų83.713%0.12842%0.416CS..Hα-helixtrans-61.7-45175.9-68.7167.1000110.2K30 I31 C36 I37 I38 V62 I66 L69K30-I34 WeakPolarHBondContact O-CG1 3.21Å; K30-I34 PolarHBondContact O-N 3.33Å; I31-I34 PolarHBondContact O-N 2.85Å; I34-C36 VanDerWaalsContact C-N 3.32Å; I34-C36 PolarHBondContact O-N 3.13Å; I34-I37 PolarHBondContact O-N 3.03Å; I34-I38 HydrophobicContact CG2-CD1 3.81Å; I34-I38 HydrophobicContact CG2-CG1 4.43Å; I34-I38 WeakPolarHBondContact O-CG1 3.34Å; I34-I38 PolarHBondContact O-N 2.86Å; I34-V62 HydrophobicContact CG2-CG1 4.26Å; I34-I66 HydrophobicContact CD1-CG1 4.17Å; I34-I66 HydrophobicContact CG2-CD1 4.44Å; I34-I66 HydrophobicContact CG2-CG1 4.3Å; I34-L69 HydrophobicContact CD1-CD2 4.06Å
35L78.6Confident76Confident109 Ų10980.6 Ų80.657%0.57141%0.409SS*.Hα-helixtrans-61.5-41178-172.565000111.9I31 N32 N33 I38 N39I31-L35 PolarHBondContact O-N 3.26Å; N32-L35 PolarHBondContact O-N 3.15Å; N33-L35 VanDerWaalsContact C-N 3.34Å; L35-I38 PolarHBondContact O-N 2.72Å; L35-N39 WeakPolarHBondContact O-CB 3.42Å; L35-N39 PolarHBondContact O-N 3.29Å
36C77.6Confident75.7Confident77 Ų7785.6 Ų85.652%0.5242%0.424SS..Hα-helixtrans-60.6-45.3174.8-175.30000111.9N32 N33 I34 N39 T40N32-C36 WeakPolarHBondContact O-CB 3.46Å; N32-C36 PolarHBondContact O-N 3.11Å; N33-C36 WeakPolarHBondContact O-CB 3.24Å; N33-C36 PolarHBondContact O-N 3.32Å; I34-C36 VanDerWaalsContact C-N 3.32Å; I34-C36 PolarHBondContact O-N 3.13Å; C36-N39 PolarHBondContact O-N 3.44Å; C36-T40 WeakPolarHBondContact O-CB 3.38Å; C36-T40 PolarHBondContact O-N 3.44Å; C36-T40 PolarHBondContact O-OG1 2.93Å
37I77.9Confident75.6Confident71 Ų7187.5 Ų87.536%0.36444%0.437SS..Hα-helixtrans-61.7-47.4176.7-66.6164.8000110.4N33 I34 N39 T40 L41 V62N33-I37 WeakPolarHBondContact O-CG1 3.37Å; N33-I37 PolarHBondContact O-N 2.93Å; I34-I37 PolarHBondContact O-N 3.03Å; I37-N39 VanDerWaalsContact C-N 3.33Å; I37-N39 PolarHBondContact O-N 3.23Å; I37-T40 PolarHBondContact O-N 3.01Å; I37-L41 HydrophobicContact CG2-CD1 3.86Å; I37-L41 HydrophobicContact CG2-CG 4.31Å; I37-L41 VanDerWaalsContact O-CG 3.27Å; I37-L41 WeakPolarHBondContact O-CG 3.45Å; I37-L41 PolarHBondContact O-N 2.94Å; I37-V62 HydrophobicContact CG2-CG2 3.62Å
38I76.1Confident75.2Confident79 Ų7997.1 Ų97.141%0.40547%0.47SS..Hα-helixtrans-59.2-44.6178.2-67.9168.1000111.1I34 L35 L41 S42 V62I34-I38 HydrophobicContact CG2-CD1 3.81Å; I34-I38 HydrophobicContact CG2-CG1 4.43Å; I34-I38 WeakPolarHBondContact O-CG1 3.34Å; I34-I38 PolarHBondContact O-N 2.86Å; L35-I38 PolarHBondContact O-N 2.72Å; I38-L41 PolarHBondContact O-N 2.89Å; I38-S42 WeakPolarHBondContact O-CB 3.25Å; I38-S42 PolarHBondContact O-N 3.45Å; I38-V62 HydrophobicContact CD1-CG1 4.19Å; I38-V62 HydrophobicContact CG1-CG1 4.07Å; I38-V62 HydrophobicContact CG1-CG2 4.48Å
39N76.4Confident75Confident90 Ų9098.7 Ų98.748%0.48148%0.477SS..Hα-helixtrans-63.4-43.4178.7-169.634.6000111.5L35 C36 I37 L41 S42 Q43L35-N39 WeakPolarHBondContact O-CB 3.42Å; L35-N39 PolarHBondContact O-N 3.29Å; C36-N39 PolarHBondContact O-N 3.44Å; I37-N39 VanDerWaalsContact C-N 3.33Å; I37-N39 PolarHBondContact O-N 3.23Å; N39-L41 PolarHBondContact O-N 3.08Å; N39-S42 WeakPolarHBondContact O-CB 3.48Å; N39-S42 PolarHBondContact O-N 3.1Å; N39-Q43 WeakPolarHBondContact O-CG 3.47Å; N39-Q43 PolarHBondContact O-N 2.95Å
40T77.5Confident74.6Confident62 Ų6292.5 Ų92.538%0.3846%0.457SS..Hα-helixtrans-62-44177.1-53.20000111C36 I37 S42 Q43 L44C36-T40 WeakPolarHBondContact O-CB 3.38Å; C36-T40 PolarHBondContact O-N 3.44Å; C36-T40 PolarHBondContact O-OG1 2.93Å; I37-T40 PolarHBondContact O-N 3.01Å; T40-S42 VanDerWaalsContact C-N 3.35Å; T40-S42 PolarHBondContact O-N 3.13Å; T40-Q43 PolarHBondContact O-N 2.96Å; T40-L44 HydrophobicContact CG2-CD1 3.78Å; T40-L44 HydrophobicContact CG2-CG 4.49Å; T40-L44 WeakPolarHBondContact O-CB 3.22Å; T40-L44 WeakPolarHBondContact O-CD1 3.46Å; T40-L44 VanDerWaalsContact O-CG 3.22Å; T40-L44 WeakPolarHBondContact O-CG 3.44Å; T40-L44 PolarHBondContact O-N 2.9Å
41L71.5Confident74.5Confident29 Ų2991 Ų9115%0.15246%0.458CS..Hα-helixtrans-63.8-39.5175.5-67.7171.9000112.5I37 I38 N39 L44 H45 C58 V62I37-L41 HydrophobicContact CG2-CD1 3.86Å; I37-L41 HydrophobicContact CG2-CG 4.31Å; I37-L41 VanDerWaalsContact O-CG 3.27Å; I37-L41 WeakPolarHBondContact O-CG 3.45Å; I37-L41 PolarHBondContact O-N 2.94Å; I38-L41 PolarHBondContact O-N 2.89Å; N39-L41 PolarHBondContact O-N 3.08Å; L41-L44 PolarHBondContact O-N 2.89Å; L41-H45 WeakPolarHBondContact O-CB 3.37Å; L41-H45 PolarHBondContact O-N 2.84Å; L41-C58 HydrophobicContact CD1-CB 3.54Å; L41-C58 HydrophobicContact CD2-CB 3.21Å; L41-C58 WeakPolarHBondContact CD2-SG 3.2Å; L41-C58 HydrophobicContact CG-CB 3.98Å; L41-V62 HydrophobicContact CD1-CG2 4.01Å
42S72.7Confident74.3Confident51 Ų5197.5 Ų97.536%0.35748%0.477SS..Hα-helixtrans-61.7-44.4175.7-167.50000111.5I38 N39 T40 H45 R46I38-S42 WeakPolarHBondContact O-CB 3.25Å; I38-S42 PolarHBondContact O-N 3.45Å; N39-S42 WeakPolarHBondContact O-CB 3.48Å; N39-S42 PolarHBondContact O-N 3.1Å; T40-S42 VanDerWaalsContact C-N 3.35Å; T40-S42 PolarHBondContact O-N 3.13Å; S42-H45 PolarHBondContact O-N 2.89Å; S42-R46 WeakPolarHBondContact O-CG 3.48Å; S42-R46 PolarHBondContact O-N 2.89Å
43Q73.9Confident74.4Confident102 Ų10296.5 Ų96.548%0.47748%0.476SS..Hα-helixtrans-63.7-46.9176.3-70.4178.93.700111.6N39 T40 H45 R46 H47N39-Q43 WeakPolarHBondContact O-CG 3.47Å; N39-Q43 PolarHBondContact O-N 2.95Å; T40-Q43 PolarHBondContact O-N 2.96Å; Q43-H45 VanDerWaalsContact C-N 3.31Å; Q43-H45 PolarHBondContact O-N 3.49Å; Q43-R46 PolarHBondContact O-N 3.22Å; Q43-H47 PolarHBondContact O-CD2 2.98Å; Q43-H47 PolarHBondContact O-N 3.49Å
44L73.5Confident74.4Confident58 Ų5894.3 Ų94.330%0.30447%0.467SS..Hα-helixtrans-62.8-37.9179.4-70.1162.9000112.3T40 L41 R48 T49 I50T40-L44 HydrophobicContact CG2-CD1 3.78Å; T40-L44 HydrophobicContact CG2-CG 4.49Å; T40-L44 WeakPolarHBondContact O-CB 3.22Å; T40-L44 WeakPolarHBondContact O-CD1 3.46Å; T40-L44 VanDerWaalsContact O-CG 3.22Å; T40-L44 WeakPolarHBondContact O-CG 3.44Å; T40-L44 PolarHBondContact O-N 2.9Å; L41-L44 PolarHBondContact O-N 2.89Å; L44-R48 PolarHBondContact O-N 3.44Å; L44-T49 WeakPolarHBondContact CD2-OG1 3.41Å; L44-T49 PolarHBondContact O-N 3.49Å; L44-T49 PolarHBondContact O-OG1 2.91Å; L44-I50 HydrophobicContact CB-CD1 3.6Å; L44-I50 HydrophobicContact CB-CG1 3.96Å; L44-I50 HydrophobicContact CD1-CD1 3.53Å; L44-I50 HydrophobicContact CD2-CD1 3.89Å; L44-I50 HydrophobicContact CD2-CG1 4.28Å; L44-I50 HydrophobicContact CG-CD1 3.84Å; L44-I50 HydrophobicContact CG-CG1 4.5Å
45H69Low74.2Confident109 Ų10994.3 Ų94.351%0.50547%0.468SS..Hα-helixtrans-65.9-43.3174.4-169.370.9000112.1L41 S42 Q43 H47 R48L41-H45 WeakPolarHBondContact O-CB 3.37Å; L41-H45 PolarHBondContact O-N 2.84Å; S42-H45 PolarHBondContact O-N 2.89Å; Q43-H45 VanDerWaalsContact C-N 3.31Å; Q43-H45 PolarHBondContact O-N 3.49Å; H45-H47 VanDerWaalsContact C-N 3.32Å; H45-H47 PolarHBondContact O-N 3.44Å; H45-R48 PolarHBondContact O-N 3.24Å; H45-R48 VanDerWaalsContact O-N 3.11Å
46R70.6Confident74.1Confident202 Ų20292 Ų9276%0.76246%0.461SS*.Hα-helixtrans-61.6-38.8177.6-76177.9-177.6-169.41.1112.6S42 Q43 R48S42-R46 WeakPolarHBondContact O-CG 3.48Å; S42-R46 PolarHBondContact O-N 2.89Å; Q43-R46 PolarHBondContact O-N 3.22Å; R46-R48 PolarHBondContact O-N 3.4Å
47H76Confident74.1Confident144 Ų14496.6 Ų96.667%0.66747%0.467SS*.THydrogen-bonded Turntrans-804.6178.3-70.9-68.5000113.8Q43 H45 T49Q43-H47 PolarHBondContact O-CD2 2.98Å; Q43-H47 PolarHBondContact O-N 3.49Å; H45-H47 VanDerWaalsContact C-N 3.32Å; H45-H47 PolarHBondContact O-N 3.44Å; H47-T49 HydrophobicContact CB-CG2 3.9Å; H47-T49 PolarHBondContact O-N 3.19Å
48R67.2Low74Confident230 Ų23094.9 Ų94.987%0.86846%0.461SS*.THydrogen-bonded Turntrans48.526.1-174.9-67.9-173.7177.5-177.80.7113.3L44 H45 R46 I50L44-R48 PolarHBondContact O-N 3.44Å; H45-R48 PolarHBondContact O-N 3.24Å; H45-R48 VanDerWaalsContact O-N 3.11Å; R46-R48 PolarHBondContact O-N 3.4Å; R48-I50 PolarHBondContact O-N 2.95Å
49T71.1Confident74.1Confident93 Ų9395.9 Ų95.957%0.57147%0.466SS*.  trans-78.2-12.4-177.645.70000112L44 H47L44-T49 WeakPolarHBondContact CD2-OG1 3.41Å; L44-T49 PolarHBondContact O-N 3.49Å; L44-T49 PolarHBondContact O-OG1 2.91Å; H47-T49 HydrophobicContact CB-CG2 3.9Å; H47-T49 PolarHBondContact O-N 3.19Å
50I70Confident74.1Confident46 Ų4696 Ų9624%0.23647%0.467CS..SBendtrans-131134.6-169.4-63.1-161.3000111L44 R48 T54L44-I50 HydrophobicContact CB-CD1 3.6Å; L44-I50 HydrophobicContact CB-CG1 3.96Å; L44-I50 HydrophobicContact CD1-CD1 3.53Å; L44-I50 HydrophobicContact CD2-CD1 3.89Å; L44-I50 HydrophobicContact CD2-CG1 4.28Å; L44-I50 HydrophobicContact CG-CD1 3.84Å; L44-I50 HydrophobicContact CG-CG1 4.5Å; R48-I50 PolarHBondContact O-N 2.95Å; I50-T54 HydrophobicContact CD1-CG2 4.46Å; I50-T54 HydrophobicContact CG2-CG2 3.33Å
51S76.8Confident74.2Confident58 Ų5896.6 Ų96.641%0.40647%0.47SS..  trans-62.9157.517665.40000111.7S53 T54 T55S51-S53 PolarHBondContact O-N 2.91Å; S51-S53 PolarHBondContact OG-OG 3.4Å; S51-T54 PolarHBondContact O-N 3.44Å; S51-T54 PolarHBondContact OG-N 3.2Å; S51-T54 PolarHBondContact OG-OG1 3.09Å; S51-T54 VanDerWaalsContact OG-OG1 3.08Å; S51-T55 PolarHBondContact O-N 3.38Å; S51-T55 PolarHBondContact O-OG1 2.74Å
52R74.5Confident74.5Confident224 Ų22496 Ų9685%0.84547%0.468SS*.Hα-helixtrans-56.3-37.2171.9-72.5-175.9176.3-174.4-1.1112T55 S56R52-T55 PolarHBondContact O-N 3.14Å; R52-S56 WeakPolarHBondContact O-CB 3.37Å; R52-S56 PolarHBondContact O-N 3.43Å
53S79.2Confident74.7Confident70 Ų70101.5 Ų101.549%0.4948%0.482SS..Hα-helixtrans-62.6-44.4178.455.30000112.2S51 S56 R57S51-S53 PolarHBondContact O-N 2.91Å; S51-S53 PolarHBondContact OG-OG 3.4Å; S53-S56 PolarHBondContact O-N 3.5Å; S53-R57 WeakPolarHBondContact O-CG 3.47Å; S53-R57 PolarHBondContact O-N 2.89Å
54T76.4Confident74.8Confident52 Ų52103.8 Ų103.832%0.31949%0.487SS..Hα-helixtrans-70-38.6177.1-57.80000111.1I50 S51 S56 R57 C58I50-T54 HydrophobicContact CD1-CG2 4.46Å; I50-T54 HydrophobicContact CG2-CG2 3.33Å; S51-T54 PolarHBondContact O-N 3.44Å; S51-T54 PolarHBondContact OG-N 3.2Å; S51-T54 PolarHBondContact OG-OG1 3.09Å; S51-T54 VanDerWaalsContact OG-OG1 3.08Å; T54-S56 VanDerWaalsContact C-N 3.32Å; T54-S56 PolarHBondContact O-N 2.93Å; T54-R57 PolarHBondContact O-N 2.73Å; T54-C58 WeakPolarHBondContact O-CB 3.39Å; T54-C58 PolarHBondContact O-N 2.92Å; T54-C58 PolarHBondContact O-SG 3.32Å
55T72.5Confident74.9Confident24 Ų24105.1 Ų105.115%0.14749%0.492CS..Hα-helixtrans-58.8-44.4173.4-51.20000111.1S51 R52 C58 I59S51-T55 PolarHBondContact O-N 3.38Å; S51-T55 PolarHBondContact O-OG1 2.74Å; R52-T55 PolarHBondContact O-N 3.14Å; T55-C58 PolarHBondContact O-N 3.47Å; T55-I59 HydrophobicContact CG2-CD1 4.16Å; T55-I59 WeakPolarHBondContact O-CG1 3.3Å; T55-I59 PolarHBondContact O-N 2.94Å
56S76.4Confident75.5Confident60 Ų60103 Ų10342%0.4248%0.484SS..Hα-helixtrans-60.2-51.2176.1-167.40000111.6R52 S53 T54 C58 I59 D60R52-S56 WeakPolarHBondContact O-CB 3.37Å; R52-S56 PolarHBondContact O-N 3.43Å; S53-S56 PolarHBondContact O-N 3.5Å; T54-S56 VanDerWaalsContact C-N 3.32Å; T54-S56 PolarHBondContact O-N 2.93Å; S56-C58 PolarHBondContact O-N 2.96Å; S56-I59 WeakPolarHBondContact O-CB 3.4Å; S56-I59 PolarHBondContact O-N 3.41Å; S56-D60 VanDerWaalsContact O-CG 3.23Å; S56-D60 PolarHBondContact O-N 3.46Å
57R77Confident75.8Confident175 Ų17595.9 Ų95.966%0.6646%0.463SS*.Hα-helixtrans-56.6-37.8178.1-73.1177-179.7-176.9-0.1112.3S53 T54 T61S53-R57 WeakPolarHBondContact O-CG 3.47Å; S53-R57 PolarHBondContact O-N 2.89Å; T54-R57 PolarHBondContact O-N 2.73Å; R57-T61 WeakPolarHBondContact O-CB 3.32Å; R57-T61 PolarHBondContact O-N 3.36Å; R57-T61 PolarHBondContact O-OG1 3.32Å
58C75.7Confident76Confident35 Ų3592.6 Ų92.624%0.23645%0.449CS..Hα-helixtrans-70.2-40.4177.3-67.60000112.4L41 T54 T55 S56 D60 T61 V62L41-C58 HydrophobicContact CD1-CB 3.54Å; L41-C58 HydrophobicContact CD2-CB 3.21Å; L41-C58 WeakPolarHBondContact CD2-SG 3.2Å; L41-C58 HydrophobicContact CG-CB 3.98Å; T54-C58 WeakPolarHBondContact O-CB 3.39Å; T54-C58 PolarHBondContact O-N 2.92Å; T54-C58 PolarHBondContact O-SG 3.32Å; T55-C58 PolarHBondContact O-N 3.47Å; S56-C58 PolarHBondContact O-N 2.96Å; C58-D60 VanDerWaalsContact C-N 3.34Å; C58-T61 WeakPolarHBondContact O-CB 3.16Å; C58-T61 PolarHBondContact O-N 3.47Å; C58-V62 WeakPolarHBondContact O-CG2 3.46Å; C58-V62 PolarHBondContact O-N 3.33Å
59I79.1Confident76.6Confident99 Ų9982.7 Ų82.751%0.50841%0.414SS..Hα-helixtrans-61.2-44.9172.9-68.7167.1000110.3T55 S56 T61 V62 Y63T55-I59 HydrophobicContact CG2-CD1 4.16Å; T55-I59 WeakPolarHBondContact O-CG1 3.3Å; T55-I59 PolarHBondContact O-N 2.94Å; S56-I59 WeakPolarHBondContact O-CB 3.4Å; S56-I59 PolarHBondContact O-N 3.41Å; I59-T61 VanDerWaalsContact C-N 3.27Å; I59-T61 PolarHBondContact O-N 2.93Å; I59-V62 PolarHBondContact O-N 3.01Å; I59-V62 VanDerWaalsContact O-N 3.16Å; I59-Y63 WeakPolarHBondContact O-CB 3.43Å; I59-Y63 PolarHBondContact O-N 3.5Å
60D76.4Confident77.1Confident94 Ų9482.9 Ų82.950%0.50341%0.41SS..Hα-helixtrans-59.6-40.1177.1-63.1-33000111.2S56 C58 Y63 Y64S56-D60 VanDerWaalsContact O-CG 3.23Å; S56-D60 PolarHBondContact O-N 3.46Å; C58-D60 VanDerWaalsContact C-N 3.34Å; D60-Y63 PolarHBondContact O-N 3.45Å; D60-Y64 WeakPolarHBondContact O-CB 3.29Å; D60-Y64 PolarHBondContact O-N 3.29Å
61T78.1Confident77.5Confident73 Ų7385.8 Ų85.845%0.44843%0.426SS..Hα-helixtrans-66.1-42.7176.3-54.80000111.8R57 C58 I59 Y64 H65R57-T61 WeakPolarHBondContact O-CB 3.32Å; R57-T61 PolarHBondContact O-N 3.36Å; R57-T61 PolarHBondContact O-OG1 3.32Å; C58-T61 WeakPolarHBondContact O-CB 3.16Å; C58-T61 PolarHBondContact O-N 3.47Å; I59-T61 VanDerWaalsContact C-N 3.27Å; I59-T61 PolarHBondContact O-N 2.93Å; T61-Y64 PolarHBondContact O-N 3.5Å; T61-H65 PolarHBondContact O-CD2 3.16Å; T61-H65 PolarHBondContact O-N 3.4Å
62V78Confident77.6Confident17 Ų1786.1 Ų86.110%0.10342%0.422CS..Hα-helixtrans-63.1-44.6175.3170.60000110.6I34 I37 I38 L41 C58 I59 Y64 H65 I66I34-V62 HydrophobicContact CG2-CG1 4.26Å; I37-V62 HydrophobicContact CG2-CG2 3.62Å; I38-V62 HydrophobicContact CD1-CG1 4.19Å; I38-V62 HydrophobicContact CG1-CG1 4.07Å; I38-V62 HydrophobicContact CG1-CG2 4.48Å; L41-V62 HydrophobicContact CD1-CG2 4.01Å; C58-V62 WeakPolarHBondContact O-CG2 3.46Å; C58-V62 PolarHBondContact O-N 3.33Å; I59-V62 PolarHBondContact O-N 3.01Å; I59-V62 VanDerWaalsContact O-N 3.16Å; V62-Y64 VanDerWaalsContact C-N 3.34Å; V62-Y64 PolarHBondContact O-N 3.04Å; V62-H65 PolarHBondContact O-N 3.48Å; V62-I66 HydrophobicContact CG1-CD1 3.79Å; V62-I66 HydrophobicContact CG1-CG1 4.43Å; V62-I66 WeakPolarHBondContact O-CG1 3.32Å; V62-I66 PolarHBondContact O-N 3.31Å
63Y77Confident77.8Confident167 Ų16778.9 Ų78.966%0.65540%0.4SS*.Hα-helixtrans-60.6-43.1177.4-175.8-95.1000111.9I59 D60 I66 T67I59-Y63 WeakPolarHBondContact O-CB 3.43Å; I59-Y63 PolarHBondContact O-N 3.5Å; D60-Y63 PolarHBondContact O-N 3.45Å; Y63-I66 PolarHBondContact O-N 2.97Å; Y63-T67 WeakPolarHBondContact O-CB 3.33Å; Y63-T67 PolarHBondContact O-N 2.85Å; Y63-T67 PolarHBondContact O-OG1 3.39Å
64Y76.2Confident77.8Confident149 Ų14978.7 Ų78.758%0.58440%0.395SS*.Hα-helixtrans-60.2-45.5174.6-177.4-103.7000112.1D60 T61 V62 I66 T67 I68D60-Y64 WeakPolarHBondContact O-CB 3.29Å; D60-Y64 PolarHBondContact O-N 3.29Å; T61-Y64 PolarHBondContact O-N 3.5Å; V62-Y64 VanDerWaalsContact C-N 3.34Å; V62-Y64 PolarHBondContact O-N 3.04Å; Y64-I66 PolarHBondContact O-N 3.47Å; Y64-T67 PolarHBondContact O-N 2.84Å; Y64-I68 HydrophobicContact CD1-CD1 3.71Å; Y64-I68 HydrophobicContact CE1-CD1 3.19Å; Y64-I68 HydrophobicContact CE1-CG1 4.33Å; Y64-I68 HydrophobicContact CE2-CD1 4.2Å; Y64-I68 HydrophobicContact CG-CD1 4.41Å; Y64-I68 VanDerWaalsContact CZ-CD1 3.47Å; Y64-I68 WeakPolarHBondContact O-CG1 3.34Å; Y64-I68 PolarHBondContact O-N 2.9Å
65H76.7Confident77.7Confident86 Ų8680.3 Ų80.340%0.39841%0.405SS..Hα-helixtrans-64.3-39.8176.9-77.8-55000113.4T61 V62 L69T61-H65 PolarHBondContact O-CD2 3.16Å; T61-H65 PolarHBondContact O-N 3.4Å; V62-H65 PolarHBondContact O-N 3.48Å; H65-L69 WeakPolarHBondContact O-CB 3.43Å; H65-L69 PolarHBondContact O-N 3.42Å
66I80.3Confident77.9Confident65 Ų6581 Ų8133%0.33341%0.408SS..Hα-helixtrans-63.7-43.8175.1-68.8168.3000110.3I34 V62 Y63 Y64 I68 L69 I70I34-I66 HydrophobicContact CD1-CG1 4.17Å; I34-I66 HydrophobicContact CG2-CD1 4.44Å; I34-I66 HydrophobicContact CG2-CG1 4.3Å; V62-I66 HydrophobicContact CG1-CD1 3.79Å; V62-I66 HydrophobicContact CG1-CG1 4.43Å; V62-I66 WeakPolarHBondContact O-CG1 3.32Å; V62-I66 PolarHBondContact O-N 3.31Å; Y63-I66 PolarHBondContact O-N 2.97Å; Y64-I66 PolarHBondContact O-N 3.47Å; I66-I68 PolarHBondContact O-N 3.48Å; I66-L69 WeakPolarHBondContact O-CB 3.46Å; I66-L69 PolarHBondContact O-N 2.96Å; I66-L69 VanDerWaalsContact O-N 3.15Å; I66-I70 HydrophobicContact CG2-CD1 3.87Å; I66-I70 HydrophobicContact CG2-CG1 4.46Å; I66-I70 WeakPolarHBondContact O-CG1 3.38Å; I66-I70 PolarHBondContact O-N 2.91Å
67T78Confident77.7Confident53 Ų5382.4 Ų82.433%0.32541%0.414SS..Hα-helixtrans-60.7-45.5179.3-56.50000111.3Y63 Y64 L69 I70 L71Y63-T67 WeakPolarHBondContact O-CB 3.33Å; Y63-T67 PolarHBondContact O-N 2.85Å; Y63-T67 PolarHBondContact O-OG1 3.39Å; Y64-T67 PolarHBondContact O-N 2.84Å; T67-L69 VanDerWaalsContact C-N 3.34Å; T67-L69 PolarHBondContact O-N 3.41Å; T67-I70 PolarHBondContact O-N 3.48Å; T67-L71 HydrophobicContact CG2-CD1 4.28Å; T67-L71 WeakPolarHBondContact O-CG 3.43Å; T67-L71 PolarHBondContact O-N 3.4Å
68I79.9Confident77.4Confident75 Ų7581.2 Ų81.239%0.38541%0.414SS..Hα-helixtrans-61.1-42.8174.8-70.7171.9000111.3Y64 I66 I70 L71 L72Y64-I68 HydrophobicContact CD1-CD1 3.71Å; Y64-I68 HydrophobicContact CE1-CD1 3.19Å; Y64-I68 HydrophobicContact CE1-CG1 4.33Å; Y64-I68 HydrophobicContact CE2-CD1 4.2Å; Y64-I68 HydrophobicContact CG-CD1 4.41Å; Y64-I68 VanDerWaalsContact CZ-CD1 3.47Å; Y64-I68 WeakPolarHBondContact O-CG1 3.34Å; Y64-I68 PolarHBondContact O-N 2.9Å; I66-I68 PolarHBondContact O-N 3.48Å; I68-I70 VanDerWaalsContact C-N 3.34Å; I68-I70 PolarHBondContact O-N 3.33Å; I68-L71 PolarHBondContact O-N 2.9Å; I68-L72 WeakPolarHBondContact O-CB 3.34Å; I68-L72 PolarHBondContact O-N 3.19Å
69L78.8Confident77.2Confident22 Ų2284.6 Ų84.612%0.11543%0.429CS..Hα-helixtrans-61.8-43.4-179.9-174.566.4000111.4W26 K30 I31 I34 H65 I66 T67 L72 I73W26-L69 HydrophobicContact CH2-CD1 4.28Å; W26-L69 HydrophobicContact CZ3-CD1 3.77Å; K30-L69 HydrophobicContact CB-CD1 4.1Å; I31-L69 HydrophobicContact CG1-CD2 4.24Å; I34-L69 HydrophobicContact CD1-CD2 4.06Å; H65-L69 WeakPolarHBondContact O-CB 3.43Å; H65-L69 PolarHBondContact O-N 3.42Å; I66-L69 WeakPolarHBondContact O-CB 3.46Å; I66-L69 PolarHBondContact O-N 2.96Å; I66-L69 VanDerWaalsContact O-N 3.15Å; T67-L69 VanDerWaalsContact C-N 3.34Å; T67-L69 PolarHBondContact O-N 3.41Å; L69-L72 PolarHBondContact O-N 3.02Å; L69-I73 HydrophobicContact CG-CD1 4.21Å; L69-I73 VanDerWaalsContact O-CG1 3.31Å; L69-I73 WeakPolarHBondContact O-CG1 3.44Å; L69-I73 PolarHBondContact O-N 3.01Å
70I81.6Confident76.3Confident97 Ų9783.1 Ų83.150%0.49743%0.427SS..Hα-helixtrans-63.1-47.5176.5-67.5169.4000110.7I66 T67 I68 L72 I73 V74I66-I70 HydrophobicContact CG2-CD1 3.87Å; I66-I70 HydrophobicContact CG2-CG1 4.46Å; I66-I70 WeakPolarHBondContact O-CG1 3.38Å; I66-I70 PolarHBondContact O-N 2.91Å; T67-I70 PolarHBondContact O-N 3.48Å; I68-I70 VanDerWaalsContact C-N 3.34Å; I68-I70 PolarHBondContact O-N 3.33Å; I70-L72 VanDerWaalsContact C-N 3.26Å; I70-L72 PolarHBondContact O-N 2.92Å; I70-I73 PolarHBondContact O-N 3.42Å; I70-V74 HydrophobicContact CG2-CG2 4.47Å; I70-V74 WeakPolarHBondContact O-CG2 3.38Å; I70-V74 PolarHBondContact O-N 3.02Å
71L79.3Confident75.6Confident107 Ų10784.3 Ų84.356%0.5643%0.429SS*.Hα-helixtrans-58.5-39.6177.7-74.5170.7000112.2T67 I68 V74 T75T67-L71 HydrophobicContact CG2-CD1 4.28Å; T67-L71 WeakPolarHBondContact O-CG 3.43Å; T67-L71 PolarHBondContact O-N 3.4Å; I68-L71 PolarHBondContact O-N 2.9Å; L71-V74 PolarHBondContact O-N 3.37Å; L71-T75 WeakPolarHBondContact O-CB 3.28Å; L71-T75 PolarHBondContact O-N 2.91Å; L71-T75 PolarHBondContact O-OG1 3.2Å
72L79.3Confident74.7Confident65 Ų6583.4 Ų83.434%0.3443%0.426SS..Hα-helixtrans-66.6-45.1177.2-16877.6000111.7W26 I68 L69 I70 V74 T75 I76W26-L72 HydrophobicContact CE3-CD2 4.22Å; W26-L72 HydrophobicContact CH2-CD2 3.17Å; W26-L72 HydrophobicContact CZ2-CD2 4.07Å; W26-L72 HydrophobicContact CZ3-CD2 3.27Å; I68-L72 WeakPolarHBondContact O-CB 3.34Å; I68-L72 PolarHBondContact O-N 3.19Å; L69-L72 PolarHBondContact O-N 3.02Å; I70-L72 VanDerWaalsContact C-N 3.26Å; I70-L72 PolarHBondContact O-N 2.92Å; L72-V74 VanDerWaalsContact C-N 3.32Å; L72-V74 PolarHBondContact O-N 2.95Å; L72-T75 PolarHBondContact O-N 2.78Å; L72-I76 HydrophobicContact CD2-CD1 4.22Å; L72-I76 HydrophobicContact CG-CD1 3.83Å; L72-I76 WeakPolarHBondContact O-CD1 3.39Å; L72-I76 VanDerWaalsContact O-CG1 3.28Å; L72-I76 WeakPolarHBondContact O-CG1 3.43Å; L72-I76 PolarHBondContact O-N 2.97Å
73I79Confident73.7Confident72 Ų7287 Ų8737%0.36944%0.444SS..Hα-helixtrans-58.9-44.7176.5-69.6166.1000110.6L69 I70 T75 I76 T77L69-I73 HydrophobicContact CG-CD1 4.21Å; L69-I73 VanDerWaalsContact O-CG1 3.31Å; L69-I73 WeakPolarHBondContact O-CG1 3.44Å; L69-I73 PolarHBondContact O-N 3.01Å; I70-I73 PolarHBondContact O-N 3.42Å; I73-T75 VanDerWaalsContact C-N 3.35Å; I73-T75 PolarHBondContact O-N 3.38Å; I73-I76 PolarHBondContact O-N 3.33Å; I73-T77 WeakPolarHBondContact O-CB 3.31Å; I73-T77 PolarHBondContact O-N 3.35Å; I73-T77 PolarHBondContact O-OG1 3.48Å
74V78.7Confident72.5Confident65 Ų6584.7 Ų84.739%0.39444%0.435SS..Hα-helixtrans-61.5-44.6177.1171.50000110.8I70 L71 L72 T77 K78I70-V74 HydrophobicContact CG2-CG2 4.47Å; I70-V74 WeakPolarHBondContact O-CG2 3.38Å; I70-V74 PolarHBondContact O-N 3.02Å; L71-V74 PolarHBondContact O-N 3.37Å; L72-V74 VanDerWaalsContact C-N 3.32Å; L72-V74 PolarHBondContact O-N 2.95Å; V74-T77 PolarHBondContact O-N 3.38Å; V74-K78 HydrophobicContact CG1-CD 4.32Å; V74-K78 WeakPolarHBondContact O-CG 3.43Å; V74-K78 PolarHBondContact O-N 2.77Å
75T74.9Confident71.6Confident86 Ų8681.1 Ų81.153%0.52843%0.426SS..Hα-helixtrans-62.4-45.4179.4-56.90000111.4L71 L72 I73 T77 K78 L79L71-T75 WeakPolarHBondContact O-CB 3.28Å; L71-T75 PolarHBondContact O-N 2.91Å; L71-T75 PolarHBondContact O-OG1 3.2Å; L72-T75 PolarHBondContact O-N 2.78Å; I73-T75 VanDerWaalsContact C-N 3.35Å; I73-T75 PolarHBondContact O-N 3.38Å; T75-T77 VanDerWaalsContact C-N 3.33Å; T75-T77 PolarHBondContact O-N 3.2Å; T75-K78 PolarHBondContact O-N 3.24Å; T75-L79 WeakPolarHBondContact O-CB 3.42Å; T75-L79 PolarHBondContact O-N 2.93Å
76I75.6Confident70.5Confident39 Ų3980.8 Ų80.820%0.243%0.427CS..Hα-helixtrans-67-37.4178.7-63.7158.6000111.5L23 L72 I73 L79 S80L23-I76 HydrophobicContact CD1-CD1 3.39Å; L23-I76 HydrophobicContact CD2-CB 4.43Å; L23-I76 HydrophobicContact CD2-CD1 4.02Å; L23-I76 HydrophobicContact CD2-CG2 3.53Å; L23-I76 HydrophobicContact CG-CD1 4.31Å; L72-I76 HydrophobicContact CD2-CD1 4.22Å; L72-I76 HydrophobicContact CG-CD1 3.83Å; L72-I76 WeakPolarHBondContact O-CD1 3.39Å; L72-I76 VanDerWaalsContact O-CG1 3.28Å; L72-I76 WeakPolarHBondContact O-CG1 3.43Å; L72-I76 PolarHBondContact O-N 2.97Å; I73-I76 PolarHBondContact O-N 3.33Å; I76-L79 PolarHBondContact O-N 2.93Å; I76-S80 VanDerWaalsContact O-CB 3.29Å; I76-S80 WeakPolarHBondContact O-CB 3.48Å; I76-S80 PolarHBondContact O-N 3.4Å; I76-S80 PolarHBondContact O-OG 3.22Å
77T72.9Confident69.2Low89 Ų8980.3 Ų80.355%0.54643%0.429SS..Hα-helixtrans-63.3-44.8175.9-55.10000110.6I73 V74 T75 S80 H81I73-T77 WeakPolarHBondContact O-CB 3.31Å; I73-T77 PolarHBondContact O-N 3.35Å; I73-T77 PolarHBondContact O-OG1 3.48Å; V74-T77 PolarHBondContact O-N 3.38Å; T75-T77 VanDerWaalsContact C-N 3.33Å; T75-T77 PolarHBondContact O-N 3.2Å; T77-S80 PolarHBondContact O-N 3.32Å; T77-H81 WeakPolarHBondContact O-CB 3.33Å; T77-H81 PolarHBondContact O-N 2.94Å
78K70.4Confident67.9Low151 Ų15184.7 Ų84.766%0.65744%0.44SS*.Hα-helixtrans-62.4-44175-74.2-177.3178-175.70112.3V74 T75 H81 S82V74-K78 HydrophobicContact CG1-CD 4.32Å; V74-K78 WeakPolarHBondContact O-CG 3.43Å; V74-K78 PolarHBondContact O-N 2.77Å; T75-K78 PolarHBondContact O-N 3.24Å; K78-H81 PolarHBondContact O-N 3.15Å; K78-S82 PolarHBondContact O-N 3.45Å
79L70.9Confident66.7Low106 Ų10686.7 Ų86.756%0.55545%0.448SS*.Hα-helixtrans-64.8-42.1178.3-169.970.9000111.6T75 I76 H81 S82 N83T75-L79 WeakPolarHBondContact O-CB 3.42Å; T75-L79 PolarHBondContact O-N 2.93Å; I76-L79 PolarHBondContact O-N 2.93Å; L79-H81 VanDerWaalsContact C-N 3.32Å; L79-H81 PolarHBondContact O-N 3.02Å; L79-S82 PolarHBondContact O-N 3.01Å; L79-N83 WeakPolarHBondContact O-CB 3.45Å; L79-N83 VanDerWaalsContact O-CG 3.3Å; L79-N83 PolarHBondContact O-N 3.36Å; L79-N83 PolarHBondContact O-ND2 2.94Å
80S61.5Low65.3Low67 Ų6791.1 Ų91.147%0.46947%0.471SS..Hα-helixtrans-63.7-39.6176.7-58.20000111.3I76 T77 Y84I76-S80 VanDerWaalsContact O-CB 3.29Å; I76-S80 WeakPolarHBondContact O-CB 3.48Å; I76-S80 PolarHBondContact O-N 3.4Å; I76-S80 PolarHBondContact O-OG 3.22Å; T77-S80 PolarHBondContact O-N 3.32Å; S80-Y84 VanDerWaalsContact O-CB 3.3Å; S80-Y84 WeakPolarHBondContact O-CB 3.38Å; S80-Y84 PolarHBondContact O-N 2.89Å
81H61.2Low64Low119 Ų11991.8 Ų91.855%0.55148%0.475SS*.Hα-helixtrans-67.4-43.2176.4-165.360.2000112.1T77 K78 L79 N83 Y84 I85T77-H81 WeakPolarHBondContact O-CB 3.33Å; T77-H81 PolarHBondContact O-N 2.94Å; K78-H81 PolarHBondContact O-N 3.15Å; L79-H81 VanDerWaalsContact C-N 3.32Å; L79-H81 PolarHBondContact O-N 3.02Å; H81-N83 PolarHBondContact O-N 3.46Å; H81-Y84 WeakPolarHBondContact O-CB 3.45Å; H81-Y84 PolarHBondContact O-N 3.34Å; H81-I85 WeakPolarHBondContact O-CG1 3.42Å; H81-I85 PolarHBondContact O-N 3.46Å
82S59.8Low62.6Low54 Ų5491.4 Ų91.438%0.37847%0.473SS..Hα-helixtrans-59.8-46.2174.4-174.90000111.8K78 L79 Y84 I85 N86K78-S82 PolarHBondContact O-N 3.45Å; L79-S82 PolarHBondContact O-N 3.01Å; S82-Y84 VanDerWaalsContact C-N 3.32Å; S82-Y84 PolarHBondContact O-N 3.01Å; S82-I85 PolarHBondContact O-N 3.36Å; S82-N86 WeakPolarHBondContact O-CB 3.37Å; S82-N86 VanDerWaalsContact O-CG 3.3Å; S82-N86 PolarHBondContact O-N 2.96Å; S82-N86 PolarHBondContact O-ND2 3.49Å
83N56.1Low61.1Low92 Ų9291.8 Ų91.849%0.49248%0.478SS..Hα-helixtrans-64.7-35.6176.4-71.5-15.4000112.5L79 H81 S87L79-N83 WeakPolarHBondContact O-CB 3.45Å; L79-N83 VanDerWaalsContact O-CG 3.3Å; L79-N83 PolarHBondContact O-N 3.36Å; L79-N83 PolarHBondContact O-ND2 2.94Å; H81-N83 PolarHBondContact O-N 3.46Å; N83-S87 WeakPolarHBondContact O-CB 3.35Å; N83-S87 PolarHBondContact O-N 2.96Å; N83-S87 PolarHBondContact O-OG 2.9Å
84Y51.3Low59.8Low119 Ų11991.7 Ų91.747%0.46748%0.484SS..Hα-helixtrans-65.5-43.1174-177.1-98.4000112.1S80 H81 S82 S87 R88S80-Y84 VanDerWaalsContact O-CB 3.3Å; S80-Y84 WeakPolarHBondContact O-CB 3.38Å; S80-Y84 PolarHBondContact O-N 2.89Å; H81-Y84 WeakPolarHBondContact O-CB 3.45Å; H81-Y84 PolarHBondContact O-N 3.34Å; S82-Y84 VanDerWaalsContact C-N 3.32Å; S82-Y84 PolarHBondContact O-N 3.01Å; Y84-S87 WeakPolarHBondContact CA-OG 3.34Å; Y84-S87 PolarHBondContact O-OG 3.47Å; Y84-R88 HydrophobicContact CE1-CG 4.38Å; Y84-R88 PolarHBondContact O-N 3.23Å; Y84-R88 VanDerWaalsContact O-N 3.08Å; Y84-R88 PolarHBondContact OH-NE 3.41Å; Y84-R88 PolarHBondContact OH-NH2 2.94Å; Y84-R88 VanDerWaalsContact OH-NH2 3.13Å
85I57.6Low58.5Low74 Ų7491.1 Ų91.138%0.37948%0.483SS..Hα-helixtrans-63.7-48.1175.9-68.3165.6000110.4H81 S82 S87 R88 Q89H81-I85 WeakPolarHBondContact O-CG1 3.42Å; H81-I85 PolarHBondContact O-N 3.46Å; S82-I85 PolarHBondContact O-N 3.36Å; I85-S87 PolarHBondContact O-N 3.32Å; I85-R88 PolarHBondContact O-N 3.36Å; I85-Q89 PolarHBondContact O-N 3.39Å
86N53.5Low57.3Low80 Ų8090.6 Ų90.643%0.42848%0.48SS..Hα-helixtrans-62.5-41.2-179.7-71.4-17.4000112.2S82 Q89 N90S82-N86 WeakPolarHBondContact O-CB 3.37Å; S82-N86 VanDerWaalsContact O-CG 3.3Å; S82-N86 PolarHBondContact O-N 2.96Å; S82-N86 PolarHBondContact O-ND2 3.49Å; N86-Q89 PolarHBondContact O-N 2.91Å; N86-N90 PolarHBondContact O-N 3.41Å
87S53Low56.2Low54 Ų5494.2 Ų94.238%0.37850%0.499SS..Hα-helixtrans-65.6-39.4176.254.20000112.2N83 Y84 I85 N90 I91N83-S87 WeakPolarHBondContact O-CB 3.35Å; N83-S87 PolarHBondContact O-N 2.96Å; N83-S87 PolarHBondContact O-OG 2.9Å; Y84-S87 WeakPolarHBondContact CA-OG 3.34Å; Y84-S87 PolarHBondContact O-OG 3.47Å; I85-S87 PolarHBondContact O-N 3.32Å; S87-N90 PolarHBondContact O-N 3.04Å; S87-I91 WeakPolarHBondContact O-CD1 3.44Å; S87-I91 VanDerWaalsContact O-CG1 3.24Å; S87-I91 WeakPolarHBondContact O-CG1 3.4Å; S87-I91 PolarHBondContact O-N 3.47Å
88R50.7Low55.2Low146 Ų14695.6 Ų95.655%0.55150%0.503SS*.Hα-helixtrans-64.6-39.4171.9-87.1-160.7172-156.6-1.4112.9Y84 I85 I91 N92Y84-R88 HydrophobicContact CE1-CG 4.38Å; Y84-R88 PolarHBondContact O-N 3.23Å; Y84-R88 VanDerWaalsContact O-N 3.08Å; Y84-R88 PolarHBondContact OH-NE 3.41Å; Y84-R88 PolarHBondContact OH-NH2 2.94Å; Y84-R88 VanDerWaalsContact OH-NH2 3.13Å; I85-R88 PolarHBondContact O-N 3.36Å; R88-I91 PolarHBondContact O-N 3.16Å; R88-N92 WeakPolarHBondContact O-CB 3.39Å; R88-N92 PolarHBondContact O-N 3.45Å
89Q54.6Low53.9Low117 Ų11797 Ų9755%0.54751%0.505SS..Hα-helixtrans-62.4-46.2175.7-81-177.2-25.700111.2I85 N86 I91 N92 T93I85-Q89 PolarHBondContact O-N 3.39Å; N86-Q89 PolarHBondContact O-N 2.91Å; Q89-I91 PolarHBondContact O-N 3.28Å; Q89-N92 PolarHBondContact O-N 3.16Å; Q89-T93 PolarHBondContact O-N 3.01Å; Q89-T93 PolarHBondContact O-OG1 2.94Å
90N50.5Low52.9Low114 Ų11496.7 Ų96.761%0.6150%0.503SS*.Hα-helixtrans-63.8-37.1177.2-89.911.4000113.6N86 S87 T93 S94N86-N90 PolarHBondContact O-N 3.41Å; S87-N90 PolarHBondContact O-N 3.04Å; N90-T93 WeakPolarHBondContact CA-OG1 3.38Å; N90-T93 PolarHBondContact O-OG1 2.84Å; N90-S94 VanDerWaalsContact O-CB 3.25Å; N90-S94 WeakPolarHBondContact O-CB 3.45Å; N90-S94 PolarHBondContact O-N 3.4Å; N90-S94 VanDerWaalsContact O-N 3.11Å; N90-S94 PolarHBondContact O-OG 2.8Å
91I54.6Low52.2Low111 Ų11198.3 Ų98.357%0.56951%0.507SS*.Hα-helixtrans-66.5-45.5174.7-68164.5000109.6S87 R88 Q89 S94 S95S87-I91 WeakPolarHBondContact O-CD1 3.44Å; S87-I91 VanDerWaalsContact O-CG1 3.24Å; S87-I91 WeakPolarHBondContact O-CG1 3.4Å; S87-I91 PolarHBondContact O-N 3.47Å; R88-I91 PolarHBondContact O-N 3.16Å; Q89-I91 PolarHBondContact O-N 3.28Å; I91-S94 PolarHBondContact O-N 3.23Å; I91-S95 WeakPolarHBondContact O-CB 3.38Å; I91-S95 PolarHBondContact O-N 3.3Å; I91-S95 PolarHBondContact O-OG 2.91Å
92N47.9Very low51.8Low100 Ų10096.1 Ų96.154%0.53551%0.505SS..Hα-helixtrans-66.1-40.4-178.7-81.1-2.9000113R88 Q89 S95 T96R88-N92 WeakPolarHBondContact O-CB 3.39Å; R88-N92 PolarHBondContact O-N 3.45Å; Q89-N92 PolarHBondContact O-N 3.16Å; N92-S95 WeakPolarHBondContact CA-OG 3.34Å; N92-S95 PolarHBondContact O-OG 3.01Å; N92-T96 WeakPolarHBondContact O-CB 3.27Å; N92-T96 PolarHBondContact O-N 3.42Å; N92-T96 PolarHBondContact O-OG1 3.15Å
93T49.6Very low51.3Low73 Ų7395.7 Ų95.745%0.44850%0.501SS..Hα-helixtrans-66.9-40.5174.730.30000111.5Q89 N90 T96 L97Q89-T93 PolarHBondContact O-N 3.01Å; Q89-T93 PolarHBondContact O-OG1 2.94Å; N90-T93 WeakPolarHBondContact CA-OG1 3.38Å; N90-T93 PolarHBondContact O-OG1 2.84Å; T93-T96 WeakPolarHBondContact CA-OG1 3.47Å; T93-T96 PolarHBondContact O-OG1 3.31Å; T93-L97 VanDerWaalsContact O-CB 3.22Å; T93-L97 WeakPolarHBondContact O-CB 3.22Å; T93-L97 WeakPolarHBondContact O-CD1 3.47Å; T93-L97 WeakPolarHBondContact O-CG 3.41Å; T93-L97 PolarHBondContact O-N 3.19Å
94S51.3Low51.3Low69 Ų6994.4 Ų94.448%0.48350%0.497SS..Hα-helixtrans-68.3-40.1178.5-57.70000111.9N90 I91 N98N90-S94 VanDerWaalsContact O-CB 3.25Å; N90-S94 WeakPolarHBondContact O-CB 3.45Å; N90-S94 PolarHBondContact O-N 3.4Å; N90-S94 VanDerWaalsContact O-N 3.11Å; N90-S94 PolarHBondContact O-OG 2.8Å; I91-S94 PolarHBondContact O-N 3.23Å; S94-N98 WeakPolarHBondContact O-CB 3.38Å; S94-N98 PolarHBondContact O-N 3.11Å
95S50.2Low51.1Low53 Ų5394.9 Ų94.937%0.37150%0.503SS..Hα-helixtrans-73.1-36.3177.465.10000112.3I91 N92 Y99I91-S95 WeakPolarHBondContact O-CB 3.38Å; I91-S95 PolarHBondContact O-N 3.3Å; I91-S95 PolarHBondContact O-OG 2.91Å; N92-S95 WeakPolarHBondContact CA-OG 3.34Å; N92-S95 PolarHBondContact O-OG 3.01Å; S95-Y99 WeakPolarHBondContact O-CB 3.49Å; S95-Y99 PolarHBondContact O-N 2.93Å
96T50.4Low50.7Low75 Ų7594.5 Ų94.546%0.4651%0.507SS..Hα-helixtrans-71.2-40.5173.440.70000112N92 T93 N98 Y99 I100N92-T96 WeakPolarHBondContact O-CB 3.27Å; N92-T96 PolarHBondContact O-N 3.42Å; N92-T96 PolarHBondContact O-OG1 3.15Å; T93-T96 WeakPolarHBondContact CA-OG1 3.47Å; T93-T96 PolarHBondContact O-OG1 3.31Å; T96-N98 VanDerWaalsContact C-N 3.35Å; T96-N98 PolarHBondContact O-N 3.03Å; T96-Y99 PolarHBondContact O-N 2.98Å; T96-I100 WeakPolarHBondContact O-CB 3.44Å; T96-I100 WeakPolarHBondContact O-CD1 3.44Å; T96-I100 WeakPolarHBondContact O-CG1 3.44Å; T96-I100 PolarHBondContact O-N 3.29Å
97L52.8Low50.2Low116 Ų11698.7 Ų98.761%0.60752%0.518SS*.Hα-helixtrans-60.5-42.5171.6-87.2156.5000111.6T93 I100 N101T93-L97 VanDerWaalsContact O-CB 3.22Å; T93-L97 WeakPolarHBondContact O-CB 3.22Å; T93-L97 WeakPolarHBondContact O-CD1 3.47Å; T93-L97 WeakPolarHBondContact O-CG 3.41Å; T93-L97 PolarHBondContact O-N 3.19Å; L97-I100 PolarHBondContact O-N 3.41Å; L97-N101 WeakPolarHBondContact O-CB 3.45Å; L97-N101 PolarHBondContact O-N 2.97Å
98N50.6Low49.9Very low117 Ų117100.3 Ų100.363%0.62652%0.522SS*.Hα-helixtrans-69.4-35.2175.5-90.8-8.9000113.3S94 T96 S102S94-N98 WeakPolarHBondContact O-CB 3.38Å; S94-N98 PolarHBondContact O-N 3.11Å; T96-N98 VanDerWaalsContact C-N 3.35Å; T96-N98 PolarHBondContact O-N 3.03Å; N98-S102 WeakPolarHBondContact O-CB 3.37Å; N98-S102 PolarHBondContact O-N 3.04Å; N98-S102 PolarHBondContact O-OG 3.2Å
99Y43.6Very low49.8Very low182 Ų18298.9 Ų98.971%0.71453%0.525SS*.Hα-helixtrans-67-40.7173.4-116.6-88.5000111.7S95 T96 S102 S103S95-Y99 WeakPolarHBondContact O-CB 3.49Å; S95-Y99 PolarHBondContact O-N 2.93Å; T96-Y99 PolarHBondContact O-N 2.98Å; Y99-S102 PolarHBondContact O-OG 3.31Å; Y99-S103 WeakPolarHBondContact O-CB 3.36Å; Y99-S103 PolarHBondContact O-N 2.99Å; Y99-S103 PolarHBondContact O-OG 2.99Å
100I50.6Low49.5Very low99 Ų9999.4 Ų99.451%0.50853%0.528SS..Hα-helixtrans-67.8-45.3176.5-67.5164000109.4T96 L97 S102 S103 T104T96-I100 WeakPolarHBondContact O-CB 3.44Å; T96-I100 WeakPolarHBondContact O-CD1 3.44Å; T96-I100 WeakPolarHBondContact O-CG1 3.44Å; T96-I100 PolarHBondContact O-N 3.29Å; L97-I100 PolarHBondContact O-N 3.41Å; I100-S102 PolarHBondContact O-N 2.99Å; I100-S103 PolarHBondContact O-N 2.86Å; I100-S103 PolarHBondContact O-OG 3.18Å; I100-T104 WeakPolarHBondContact O-CB 3.46Å; I100-T104 PolarHBondContact O-N 2.74Å; I100-T104 PolarHBondContact O-OG1 3.37Å
101N46.2Very low49.5Very low101 Ų10196.9 Ų96.954%0.5452%0.518SS..Hα-helixtrans-64.3-38.5179.8-120.81.9000112.9L97 H105L97-N101 WeakPolarHBondContact O-CB 3.45Å; L97-N101 PolarHBondContact O-N 2.97Å; N101-H105 WeakPolarHBondContact O-CB 3.47Å; N101-H105 PolarHBondContact O-N 3.34Å; N101-H105 VanDerWaalsContact O-N 3.15Å
102S52.2Low49.3Very low73 Ų7396.4 Ų96.451%0.5152%0.517SS..Hα-helixtrans-75.4-37.8179.153.90000113.3N98 Y99 I100 S106N98-S102 WeakPolarHBondContact O-CB 3.37Å; N98-S102 PolarHBondContact O-N 3.04Å; N98-S102 PolarHBondContact O-OG 3.2Å; Y99-S102 PolarHBondContact O-OG 3.31Å; I100-S102 PolarHBondContact O-N 2.99Å; S102-S106 WeakPolarHBondContact O-CB 3.49Å; S102-S106 PolarHBondContact O-N 3.27Å
103S51Low49.6Very low44 Ų4498.4 Ų98.431%0.30853%0.528SS..Hα-helixtrans-73.4-41.2175.353.70000111.8Y99 I100 H105 S106 Y107Y99-S103 WeakPolarHBondContact O-CB 3.36Å; Y99-S103 PolarHBondContact O-N 2.99Å; Y99-S103 PolarHBondContact O-OG 2.99Å; I100-S103 PolarHBondContact O-N 2.86Å; I100-S103 PolarHBondContact O-OG 3.18Å; S103-H105 PolarHBondContact O-N 2.95Å; S103-S106 PolarHBondContact O-N 2.87Å; S103-S106 VanDerWaalsContact O-N 3.14Å; S103-Y107 WeakPolarHBondContact O-CD2 3.48Å; S103-Y107 PolarHBondContact O-N 3.35Å
104T55.4Low49.5Very low66 Ų66103.3 Ų103.341%0.40555%0.546SS..Hα-helixtrans-67.4-38.9-179.9-41.90000111.8I100 I108I100-T104 WeakPolarHBondContact O-CB 3.46Å; I100-T104 PolarHBondContact O-N 2.74Å; I100-T104 PolarHBondContact O-OG1 3.37Å; T104-I108 HydrophobicContact CG2-CD1 3.99Å; T104-I108 WeakPolarHBondContact O-CB 3.44Å; T104-I108 WeakPolarHBondContact O-CD1 3.41Å; T104-I108 VanDerWaalsContact O-CG1 3.24Å; T104-I108 WeakPolarHBondContact O-CG1 3.38Å; T104-I108 PolarHBondContact O-N 3.01Å; T104-I108 VanDerWaalsContact O-N 3.1Å
105H47Very low49.2Very low129 Ų129107 Ų10760%0.59756%0.56SS**Hα-helixtrans-68-32.8171.3-96.6-64.5000113.1N101 S103 N109N101-H105 WeakPolarHBondContact O-CB 3.47Å; N101-H105 PolarHBondContact O-N 3.34Å; N101-H105 VanDerWaalsContact O-N 3.15Å; S103-H105 PolarHBondContact O-N 2.95Å; H105-N109 WeakPolarHBondContact O-CB 3.46Å; H105-N109 PolarHBondContact O-N 3.32Å
106S49.4Very low48.9Very low65 Ų65117 Ų11746%0.45560%0.597SS.*Hα-helixtrans-69.4-38.7177-167.10000112.2S102 S103 Q110S102-S106 WeakPolarHBondContact O-CB 3.49Å; S102-S106 PolarHBondContact O-N 3.27Å; S103-S106 PolarHBondContact O-N 2.87Å; S103-S106 VanDerWaalsContact O-N 3.14Å; S106-Q110 WeakPolarHBondContact O-CB 3.4Å; S106-Q110 PolarHBondContact O-N 3.21Å; S106-Q110 VanDerWaalsContact O-N 3.07Å
107Y42.6Very low48.8Very low168 Ų168119.1 Ų119.166%0.65960%0.603SS**Hα-helixtrans-71.6-37.6177.4-74.9-69.1000112.2S103 Q110 S111S103-Y107 WeakPolarHBondContact O-CD2 3.48Å; S103-Y107 PolarHBondContact O-N 3.35Å; Y107-Q110 PolarHBondContact O-N 3.39Å; Y107-S111 PolarHBondContact O-N 3.41Å; Y107-S111 VanDerWaalsContact O-N 3.1Å; Y107-S111 PolarHBondContact O-OG 3.08Å; Y107-S111 VanDerWaalsContact O-OG 3.06Å
108I47.8Very low48.6Very low88 Ų88119.3 Ų119.345%0.45160%0.603SS.*Hα-helixtrans-69.7-35.7177.1-66.9168.4000111.8T104 S111 N112T104-I108 HydrophobicContact CG2-CD1 3.99Å; T104-I108 WeakPolarHBondContact O-CB 3.44Å; T104-I108 WeakPolarHBondContact O-CD1 3.41Å; T104-I108 VanDerWaalsContact O-CG1 3.24Å; T104-I108 WeakPolarHBondContact O-CG1 3.38Å; T104-I108 PolarHBondContact O-N 3.01Å; T104-I108 VanDerWaalsContact O-N 3.1Å; I108-S111 PolarHBondContact O-OG 3.2Å; I108-S111 VanDerWaalsContact O-OG 3.1Å; I108-N112 PolarHBondContact O-N 2.83Å
109N47.3Very low48.5Very low117 Ų117119.4 Ų119.463%0.62660%0.602SS**Hα-helixtrans-79.6-23.6178.1-130.711.3000113.1H105H105-N109 WeakPolarHBondContact O-CB 3.46Å; H105-N109 PolarHBondContact O-N 3.32Å
110Q47.7Very low48.8Very low128 Ų128115.7 Ų115.760%0.59860%0.595SS**Hα-helixtrans-75.2-35.7169.8-98.4-178.8-36.900112.5S106 Y107S106-Q110 WeakPolarHBondContact O-CB 3.4Å; S106-Q110 PolarHBondContact O-N 3.21Å; S106-Q110 VanDerWaalsContact O-N 3.07Å; Y107-Q110 PolarHBondContact O-N 3.39Å
111S51.8Low48.7Very low60 Ų60116.8 Ų116.842%0.4260%0.601SS.*Hα-helixtrans-76.2-27.1179.254.40000114Y107 I108Y107-S111 PolarHBondContact O-N 3.41Å; Y107-S111 VanDerWaalsContact O-N 3.1Å; Y107-S111 PolarHBondContact O-OG 3.08Å; Y107-S111 VanDerWaalsContact O-OG 3.06Å; I108-S111 PolarHBondContact O-OG 3.2Å; I108-S111 VanDerWaalsContact O-OG 3.1Å
112N49.5Very low48.8Very low101 Ų101117.8 Ų117.854%0.5461%0.605SS.*THydrogen-bonded Turntrans-81.1-12.8179-83.6-5.7000114.7I108I108-N112 PolarHBondContact O-N 2.83Å
113N54.5Low48.6Very low142 Ų142121 Ų12176%0.75961%0.612SS**THydrogen-bonded Turntrans-995.1177.2-98.51.7000114.1
114Q47.4Very low48.4Very low177 Ų177126.9 Ų126.983%0.82764%0.635SS**SBendtrans-109.52.9172.9-77.8-173.5-26.200113.3
115L45.6Very low47.8Very low147 Ų147132 Ų13277%0.7765%0.654SS**  trans-119.819-175.4-95.4160.2000113.9
116F43Very low47.9Very low262 Ų262132.3 Ų132.3100%1.14966%0.659SS**  trans-126.80170.5-99.4-81000111.3

Retrieved 116 of 116 residues in 231 ms (Link to these results)