G4VL53_SCHMA Loading...

BUD13 homolog

AlphaFold DB , UniProt , Accession G4VL53, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 259 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M40Very low56Low239 Ų239109.8 Ų109.8100%1.17760%0.6SS**  0102.60-74.7-179.8163.500107.6T3M1-T3 PolarHBondContact O-N 3.14Å
2T46.6Very low57.4Low128 Ų128105.3 Ų105.379%0.78559%0.589SS**  trans-80.4106.6172.348.20000107.2N4T2-N4 PolarHBondContact O-N 3.5Å; T2-N4 VanDerWaalsContact O-N 3.14Å
3T50.4Low58.6Low123 Ų123105.5 Ų105.576%0.75559%0.587SS**  trans-70.8104.3172.350.10000107.6M1 D5M1-T3 PolarHBondContact O-N 3.14Å; T3-D5 PolarHBondContact O-N 3.25Å; T3-D5 VanDerWaalsContact O-N 3.1Å
4N56Low59.3Low122 Ų122100.6 Ų100.665%0.65256%0.556SS**  trans-68.4105.6171.8-73.1-21.3000107.8T2 P6T2-N4 PolarHBondContact O-N 3.5Å; T2-N4 VanDerWaalsContact O-N 3.14Å; N4-P6 WeakPolarHBondContact O-CD 3.39Å
5D56.7Low59.9Low80 Ų8095.8 Ų95.843%0.42853%0.529SS..  trans-66.5115.7170.5-94.5-41.3000108.6T3 S7 K8T3-D5 PolarHBondContact O-N 3.25Å; T3-D5 VanDerWaalsContact O-N 3.1Å; D5-S7 PolarHBondContact O-N 3.43Å; D5-K8 HydrophobicContact CB-CD 4.22Å; D5-K8 HydrophobicContact CB-CG 4.22Å; D5-K8 PolarHBondContact O-N 3.12Å; D5-K8 IonicContact OD2-NZ 3.83Å
6P59.6Low60.7Low95 Ų95101.8 Ų101.862%0.61754%0.541SS*.Hα-helixtrans-63.6-15.8-175.925.7-34.6000113.3N4 N10N4-P6 WeakPolarHBondContact O-CD 3.39Å; P6-N10 PolarHBondContact O-ND2 2.97Å; P6-N10 VanDerWaalsContact O-ND2 3.12Å
7S55.5Low61.3Low67 Ų67108.1 Ų108.147%0.46956%0.555SS.*Hα-helixtrans-74.7-30.3174.673.50000113.1D5 N10 K11D5-S7 PolarHBondContact O-N 3.43Å; S7-N10 PolarHBondContact O-N 2.94Å; S7-K11 PolarHBondContact O-N 3.47Å
8K55.3Low61.4Low134 Ų134109.7 Ų109.758%0.58356%0.555SS**Hα-helixtrans-75.1-35.3180-71.7-179.5-178.4164.20111.6D5 N10 K11 A12D5-K8 HydrophobicContact CB-CD 4.22Å; D5-K8 HydrophobicContact CB-CG 4.22Å; D5-K8 PolarHBondContact O-N 3.12Å; D5-K8 IonicContact OD2-NZ 3.83Å; K8-N10 VanDerWaalsContact C-N 3.25Å; K8-N10 PolarHBondContact O-N 3.37Å; K8-K11 PolarHBondContact O-N 3.38Å; K8-A12 PolarHBondContact O-N 3.47Å; K8-A12 VanDerWaalsContact O-N 3.07Å
9D60.8Low61.8Low87 Ų87108.3 Ų108.347%0.46555%0.548SS..Hα-helixtrans-59.8-40.6174.6-64-23.6000110.5K11 A12 D13D9-K11 PolarHBondContact O-N 3.34Å; D9-A12 PolarHBondContact O-N 3.14Å; D9-D13 WeakPolarHBondContact O-CB 3.44Å; D9-D13 PolarHBondContact O-N 3.03Å
10N68.1Low61.9Low92 Ų92109.2 Ų109.249%0.49255%0.55SS.*Hα-helixtrans-63.9-39.9175.9-68.9-36.4000113.1P6 S7 K8 Y14P6-N10 PolarHBondContact O-ND2 2.97Å; P6-N10 VanDerWaalsContact O-ND2 3.12Å; S7-N10 PolarHBondContact O-N 2.94Å; K8-N10 VanDerWaalsContact C-N 3.25Å; K8-N10 PolarHBondContact O-N 3.37Å; N10-Y14 WeakPolarHBondContact O-CB 3.37Å; N10-Y14 PolarHBondContact O-N 2.98Å
11K67.5Low61.8Low41 Ų41107.4 Ų107.418%0.17855%0.546CS..Hα-helixtrans-65.6-45.2178.7-173.2176.8-176-178.40111.2S7 K8 D9 Y14 L15 E98 A99 D102S7-K11 PolarHBondContact O-N 3.47Å; K8-K11 PolarHBondContact O-N 3.38Å; D9-K11 PolarHBondContact O-N 3.34Å; K11-Y14 PolarHBondContact O-N 3.44Å; K11-L15 HydrophobicContact CG-CD1 4.48Å; K11-L15 WeakPolarHBondContact O-CB 3.3Å; K11-L15 VanDerWaalsContact O-CG 3.3Å; K11-L15 WeakPolarHBondContact O-CG 3.48Å; K11-L15 PolarHBondContact O-N 3.23Å; K11-E98 VanDerWaalsContact NZ-CD 3.31Å; K11-E98 IonicContact NZ-OE1 3.72Å; K11-E98 PolarHBondContact NZ-OE1 3.43Å; K11-A99 HydrophobicContact CG-CB 4.08Å; K11-D102 WeakPolarHBondContact CE-OD2 3.25Å; K11-D102 IonicContact NZ-OD1 3.17Å; K11-D102 IonicContact NZ-OD2 3.12Å; K11-D102 PolarHBondContact NZ-OD2 2.99Å
12A72.3Confident62.6Low56 Ų56102.2 Ų102.246%0.46353%0.528SS..Hα-helixtrans-66.4-44.5179.500000112.3K8 D9 Y14 L15 R16K8-A12 PolarHBondContact O-N 3.47Å; K8-A12 VanDerWaalsContact O-N 3.07Å; D9-A12 PolarHBondContact O-N 3.14Å; A12-Y14 VanDerWaalsContact C-N 3.34Å; A12-Y14 PolarHBondContact O-N 2.99Å; A12-L15 PolarHBondContact O-N 3.06Å; A12-R16 PolarHBondContact O-N 3.38Å
13D72.4Confident62.9Low107 Ų10799.7 Ų99.757%0.57253%0.527SS*.Hα-helixtrans-64.4-38.9176.4-100.24.3000112.1D9 R16 R17D9-D13 WeakPolarHBondContact O-CB 3.44Å; D9-D13 PolarHBondContact O-N 3.03Å; D13-R16 PolarHBondContact O-N 3.25Å; D13-R17 PolarHBondContact O-N 3.05Å; D13-R17 VanDerWaalsContact O-N 3.13Å
14Y68.5Low63Low37 Ų3796.8 Ų96.815%0.14551%0.512CS..Hα-helixtrans-64-45.7174.8-176.8-84.2000111.6N10 K11 A12 R16 R17 Y18 E96 A99N10-Y14 WeakPolarHBondContact O-CB 3.37Å; N10-Y14 PolarHBondContact O-N 2.98Å; K11-Y14 PolarHBondContact O-N 3.44Å; A12-Y14 VanDerWaalsContact C-N 3.34Å; A12-Y14 PolarHBondContact O-N 2.99Å; Y14-R16 PolarHBondContact O-N 3.02Å; Y14-R17 PolarHBondContact O-N 2.92Å; Y14-Y18 AromaticContact CD1-CD2 3.78Å; Y14-Y18 HydrophobicContact CD1-CD2 3.78Å; Y14-Y18 HydrophobicContact CD1-CE2 4.25Å; Y14-Y18 HydrophobicContact CD1-CG 4.44Å; Y14-Y18 HydrophobicContact CD2-CD2 4.1Å; Y14-Y18 AromaticContact CD2-CE2 3.94Å; Y14-Y18 HydrophobicContact CD2-CE2 3.94Å; Y14-Y18 HydrophobicContact CE1-CD1 4.5Å; Y14-Y18 AromaticContact CE1-CD2 3.37Å; Y14-Y18 HydrophobicContact CE1-CD2 3.37Å; Y14-Y18 AromaticContact CE1-CE2 3.58Å; Y14-Y18 HydrophobicContact CE1-CE2 3.58Å; Y14-Y18 AromaticContact CE1-CG 3.89Å; Y14-Y18 HydrophobicContact CE1-CG 3.89Å; Y14-Y18 AromaticContact CE2-CD2 3.71Å; Y14-Y18 HydrophobicContact CE2-CD2 3.71Å; Y14-Y18 AromaticContact CE2-CE2 3.17Å; Y14-Y18 HydrophobicContact CE2-CE2 3.17Å; Y14-Y18 AromaticContact CE2-CZ 3.95Å; Y14-Y18 HydrophobicContact CG-CD2 4.14Å; Y14-Y18 HydrophobicContact CG-CE2 4.42Å; Y14-Y18 AromaticContact CZ-CD2 3.33Å; Y14-Y18 AromaticContact CZ-CE2 2.97Å; Y14-Y18 AromaticContact CZ-CZ 3.46Å; Y14-Y18 VanDerWaalsContact CZ-CZ 3.46Å; Y14-Y18 PolarHBondContact O-N 3Å; Y14-Y18 WeakPolarHBondContact OH-CE2 3.18Å; Y14-Y18 PolarHBondContact OH-OH 3.4Å; Y14-Y18 VanDerWaalsContact OH-OH 3.1Å; Y14-E96 HydrophobicContact CD2-CB 4.35Å; Y14-E96 HydrophobicContact CD2-CG 4.38Å; Y14-E96 HydrophobicContact CE1-CG 4.45Å; Y14-E96 HydrophobicContact CE2-CB 3.95Å; Y14-E96 HydrophobicContact CE2-CG 3.5Å; Y14-E96 WeakPolarHBondContact CE2-OE1 3.41Å; Y14-E96 WeakPolarHBondContact OH-CG 3.43Å; Y14-E96 PolarHBondContact OH-OE1 3.18Å; Y14-A99 HydrophobicContact CD1-CB 3.36Å; Y14-A99 HydrophobicContact CE1-CB 3.81Å; Y14-A99 HydrophobicContact CG-CB 4.25Å
15L69.2Low62.7Low29 Ų2999 Ų9915%0.15252%0.516CS..Hα-helixtrans-59-44176.7-76.3175.4000112.1K11 A12 R17 Y18 L19 A99 V103K11-L15 HydrophobicContact CG-CD1 4.48Å; K11-L15 WeakPolarHBondContact O-CB 3.3Å; K11-L15 VanDerWaalsContact O-CG 3.3Å; K11-L15 WeakPolarHBondContact O-CG 3.48Å; K11-L15 PolarHBondContact O-N 3.23Å; A12-L15 PolarHBondContact O-N 3.06Å; L15-R17 VanDerWaalsContact C-N 3.31Å; L15-R17 PolarHBondContact O-N 3.42Å; L15-Y18 PolarHBondContact O-N 3.19Å; L15-L19 WeakPolarHBondContact O-CB 3.43Å; L15-L19 WeakPolarHBondContact O-CG 3.48Å; L15-L19 PolarHBondContact O-N 3.39Å; L15-A99 HydrophobicContact CD2-CB 4.03Å; L15-A99 WeakPolarHBondContact CD2-O 3.35Å; L15-A99 HydrophobicContact CG-CB 4.09Å; L15-V103 HydrophobicContact CD2-CG2 3.24Å
16R73Confident62.3Low192 Ų192104.3 Ų104.373%0.72554%0.535SS*.Hα-helixtrans-55.5-47.3174.3-98.8-178.8168164.8-3.3111.7A12 D13 Y14 Y18 E20A12-R16 PolarHBondContact O-N 3.38Å; D13-R16 PolarHBondContact O-N 3.25Å; Y14-R16 PolarHBondContact O-N 3.02Å; R16-Y18 VanDerWaalsContact C-N 3.3Å; R16-Y18 PolarHBondContact O-N 3.22Å; R16-E20 PolarHBondContact O-N 2.93Å
17R69.7Low61.6Low208 Ų208109.1 Ų109.179%0.78555%0.546SS*.Hα-helixtrans-68.9-26.9-177.1-153.6172.2-177.9163.4-1.1113.5D13 Y14 L15D13-R17 PolarHBondContact O-N 3.05Å; D13-R17 VanDerWaalsContact O-N 3.13Å; Y14-R17 PolarHBondContact O-N 2.92Å; L15-R17 VanDerWaalsContact C-N 3.31Å; L15-R17 PolarHBondContact O-N 3.42Å
18Y63.8Low61.1Low138 Ų138117.5 Ų117.554%0.54157%0.567SS.*Hα-helixtrans-90.1-28.7179.1-94.4-97.1000114.4Y14 L15 R16Y14-Y18 AromaticContact CD1-CD2 3.78Å; Y14-Y18 HydrophobicContact CD1-CD2 3.78Å; Y14-Y18 HydrophobicContact CD1-CE2 4.25Å; Y14-Y18 HydrophobicContact CD1-CG 4.44Å; Y14-Y18 HydrophobicContact CD2-CD2 4.1Å; Y14-Y18 AromaticContact CD2-CE2 3.94Å; Y14-Y18 HydrophobicContact CD2-CE2 3.94Å; Y14-Y18 HydrophobicContact CE1-CD1 4.5Å; Y14-Y18 AromaticContact CE1-CD2 3.37Å; Y14-Y18 HydrophobicContact CE1-CD2 3.37Å; Y14-Y18 AromaticContact CE1-CE2 3.58Å; Y14-Y18 HydrophobicContact CE1-CE2 3.58Å; Y14-Y18 AromaticContact CE1-CG 3.89Å; Y14-Y18 HydrophobicContact CE1-CG 3.89Å; Y14-Y18 AromaticContact CE2-CD2 3.71Å; Y14-Y18 HydrophobicContact CE2-CD2 3.71Å; Y14-Y18 AromaticContact CE2-CE2 3.17Å; Y14-Y18 HydrophobicContact CE2-CE2 3.17Å; Y14-Y18 AromaticContact CE2-CZ 3.95Å; Y14-Y18 HydrophobicContact CG-CD2 4.14Å; Y14-Y18 HydrophobicContact CG-CE2 4.42Å; Y14-Y18 AromaticContact CZ-CD2 3.33Å; Y14-Y18 AromaticContact CZ-CE2 2.97Å; Y14-Y18 AromaticContact CZ-CZ 3.46Å; Y14-Y18 VanDerWaalsContact CZ-CZ 3.46Å; Y14-Y18 PolarHBondContact O-N 3Å; Y14-Y18 WeakPolarHBondContact OH-CE2 3.18Å; Y14-Y18 PolarHBondContact OH-OH 3.4Å; Y14-Y18 VanDerWaalsContact OH-OH 3.1Å; L15-Y18 PolarHBondContact O-N 3.19Å; R16-Y18 VanDerWaalsContact C-N 3.3Å; R16-Y18 PolarHBondContact O-N 3.22Å
19L68.1Low60.5Low82 Ų82120.4 Ų120.443%0.42958%0.58SS.*Hα-helixtrans-85-15.4179.5-70.7169.9000113L15 V103 L111L15-L19 WeakPolarHBondContact O-CB 3.43Å; L15-L19 WeakPolarHBondContact O-CG 3.48Å; L15-L19 PolarHBondContact O-N 3.39Å; L19-V103 HydrophobicContact CD1-CG2 4.49Å; L19-V103 HydrophobicContact CD2-CG1 3.79Å; L19-V103 HydrophobicContact CD2-CG2 4.06Å; L19-V103 HydrophobicContact CG-CG2 4.26Å; L19-L111 HydrophobicContact CD2-CD1 4.37Å; L19-L111 HydrophobicContact CD2-CD2 4.35Å
20E65.1Low59.7Low127 Ų127121.9 Ų121.959%0.59359%0.592SS**SBendtrans-61.6124.8169.2-87.2-175.7161.700110.4R16 V22R16-E20 PolarHBondContact O-N 2.93Å; E20-V22 PolarHBondContact O-N 3.34Å
21P58.5Low58.2Low72 Ų72123.5 Ų123.547%0.46861%0.605SS.*  trans-60.9139.7-178.422.6-31.1000110.5G23 S24P21-G23 PolarHBondContact O-N 3.33Å; P21-S24 PolarHBondContact O-N 3.2Å; P21-S24 PolarHBondContact O-OG 3.46Å
22V57.3Low56.7Low130 Ų130128.3 Ų128.379%0.78863%0.633SS**THydrogen-bonded Turntrans-57.1-16.2-174.4-171.60000113.3E20E20-V22 PolarHBondContact O-N 3.34Å
23G53.4Low55.2Low75 Ų75132.6 Ų132.677%0.77365%0.648SS**THydrogen-bonded Turntrans-88.3-12.4175.100000116.5P21 K25P21-G23 PolarHBondContact O-N 3.33Å; G23-K25 PolarHBondContact O-N 3.36Å
24S52.5Low53.8Low61 Ų61133.1 Ų133.143%0.42766%0.655SS.*  trans-80.913.3178.767.50000113.5P21 K26P21-S24 PolarHBondContact O-N 3.2Å; P21-S24 PolarHBondContact O-OG 3.46Å; S24-K26 PolarHBondContact O-N 2.96Å
25K48.5Very low52.6Low169 Ų169137 Ų13774%0.73568%0.683SS**  trans-64.675.2165.5-64.3-172.5-174.7177.20109.1G23 K27G23-K25 PolarHBondContact O-N 3.36Å; K25-K27 VanDerWaalsContact C-N 3.31Å; K25-K27 PolarHBondContact O-N 3.08Å
26K49.7Very low51.2Low192 Ų192139.4 Ų139.484%0.83570%0.698SS**  trans-45.8109.5146.5-108.1177.1179.11700104S24 R28S24-K26 PolarHBondContact O-N 2.96Å; K26-R28 VanDerWaalsContact C-N 3.33Å; K26-R28 PolarHBondContact O-N 3.07Å
27K43.1Very low49.7Very low195 Ų195139.6 Ų139.685%0.84870%0.704SS**  trans-48.4108.5170.4-74.3-169.6179.3-178.60104.9K25 K29K25-K27 VanDerWaalsContact C-N 3.31Å; K25-K27 PolarHBondContact O-N 3.08Å; K27-K29 PolarHBondContact O-N 3.37Å
28R46Very low48.3Very low244 Ų244139.2 Ų139.292%0.92170%0.704SS**  trans-60.2100.4166.3-65.2179.185.9152.12.3103.3K26 T30K26-R28 VanDerWaalsContact C-N 3.33Å; K26-R28 PolarHBondContact O-N 3.07Å; R28-T30 PolarHBondContact O-N 3.42Å
29K42.3Very low47.6Very low195 Ų195140.4 Ų140.485%0.84872%0.719SS**  trans-59112.5166.3-95.2-179.8171.4178.30104.8K27K27-K29 PolarHBondContact O-N 3.37Å
30T44.9Very low46.4Very low117 Ų117142.5 Ų142.572%0.71874%0.74SS**  trans16.7134.8152.358.70000116.6R28R28-T30 PolarHBondContact O-N 3.42Å
31V35.9Very low45.8Very low126 Ų126139 Ų13976%0.76474%0.738SS**  -140.814889.1-179.30000111.3D33V31-D33 PolarHBondContact O-N 3.42Å
32N37.2Very low45.7Very low143 Ų143143.9 Ų143.977%0.76576%0.76SS**  trans-54.295168.4-59.6-30.4000111.3V34N32-V34 PolarHBondContact O-N 3.41Å
33D40.7Very low45.5Very low145 Ų145145.2 Ų145.278%0.77576%0.762SS**  trans-92.481.4162.2-83.8-18.8000108.9V31 T35V31-D33 PolarHBondContact O-N 3.42Å; D33-T35 VanDerWaalsContact C-N 3.33Å; D33-T35 PolarHBondContact O-N 3.02Å
34V42.6Very low45.8Very low119 Ų119145.7 Ų145.772%0.72175%0.752SS**  trans-73.193.8156.41750000106.3N32 V36N32-V34 PolarHBondContact O-N 3.41Å; V34-V36 HydrophobicContact CG1-CG2 3.73Å
35T43.3Very low46Very low118 Ų118152.4 Ų152.472%0.72478%0.776SS**  trans-100.486.5162.9-40.90000108.1D33 K37D33-T35 VanDerWaalsContact C-N 3.33Å; D33-T35 PolarHBondContact O-N 3.02Å; T35-K37 PolarHBondContact O-N 3.2Å
36V40.2Very low46.6Very low80 Ų80148.1 Ų148.149%0.48576%0.764SS.*  trans-66.6115.2163.8175.60000106.8V34 Y38V34-V36 HydrophobicContact CG1-CG2 3.73Å; V36-Y38 HydrophobicContact CB-CD2 4.43Å; V36-Y38 HydrophobicContact CB-CE2 3.94Å; V36-Y38 HydrophobicContact CG1-CD1 4.41Å; V36-Y38 HydrophobicContact CG1-CD2 4.1Å; V36-Y38 HydrophobicContact CG1-CE1 4.08Å; V36-Y38 HydrophobicContact CG1-CE2 3.76Å; V36-Y38 HydrophobicContact CG1-CG 4.41Å; V36-Y38 PolarHBondContact O-N 2.98Å; V36-Y38 VanDerWaalsContact O-N 3.08Å
37K40Very low46.9Very low196 Ų196146.2 Ų146.285%0.85276%0.762SS**  trans-73.297169.9-70.8-177.11771790108T35T35-K37 PolarHBondContact O-N 3.2Å
38Y40.4Very low47.8Very low199 Ų199141.5 Ų141.578%0.7875%0.747SS**  trans-70.7134.5162.7-66.2-80.6000108.6V36 S40V36-Y38 HydrophobicContact CB-CD2 4.43Å; V36-Y38 HydrophobicContact CB-CE2 3.94Å; V36-Y38 HydrophobicContact CG1-CD1 4.41Å; V36-Y38 HydrophobicContact CG1-CD2 4.1Å; V36-Y38 HydrophobicContact CG1-CE1 4.08Å; V36-Y38 HydrophobicContact CG1-CE2 3.76Å; V36-Y38 HydrophobicContact CG1-CG 4.41Å; V36-Y38 PolarHBondContact O-N 2.98Å; V36-Y38 VanDerWaalsContact O-N 3.08Å; Y38-S40 PolarHBondContact O-N 3.38Å
39I50.5Low48.6Very low164 Ų164132.5 Ų132.584%0.84172%0.724SS**  trans-62.7118169.4-65.2162.1000105.9G41I39-G41 VanDerWaalsContact C-N 3.31Å; I39-G41 PolarHBondContact O-N 3.14Å
40S43.2Very low49.4Very low125 Ų125131.2 Ų131.287%0.87472%0.719SS**SBendtrans-68.889.8174.651.80000109.4Y38Y38-S40 PolarHBondContact O-N 3.38Å
41G52.7Low50.2Low54 Ų54134.5 Ų134.556%0.55772%0.72SS**SBendtrans-149.7128.9162.100000106.6I39 L43I39-G41 VanDerWaalsContact C-N 3.31Å; I39-G41 PolarHBondContact O-N 3.14Å; G41-L43 PolarHBondContact O-N 3.28Å
42D55Low51.3Low174 Ų174136.1 Ų136.193%0.9372%0.716SS**  trans-52.2114.7180-77.4-28.5000110
43L54.1Low52.4Low158 Ų158134.8 Ų134.883%0.82771%0.713SS**  trans-75121.6171.5-163.675000106.5G41 E45G41-L43 PolarHBondContact O-N 3.28Å; L43-E45 PolarHBondContact O-N 3.32Å
44P58.8Low53.1Low86 Ų86134.3 Ų134.356%0.55871%0.711SS**  trans-60.8127.9-178.923.7-32000109.6T46 A49P44-T46 PolarHBondContact O-N 2.94Å; P44-A49 HydrophobicContact CB-CB 3.96Å; P44-A49 HydrophobicContact CG-CB 4.34Å
45E56.8Low53.7Low202 Ų202133.4 Ų133.494%0.94472%0.716SS**SBendtrans-64.2-4.6-174.5-81.3-176.5149.300114.4L43L43-E45 PolarHBondContact O-N 3.32Å
46T60.5Low54.4Low78 Ų78135.4 Ų135.448%0.47972%0.722SS.*SBendtrans-138.1133.6-178.656.90000111.7P44 D48 A49P44-T46 PolarHBondContact O-N 2.94Å; T46-D48 PolarHBondContact O-N 3.09Å; T46-A49 PolarHBondContact O-N 3.32Å
47L57.8Low55.3Low152 Ų152136.6 Ų136.680%0.79673%0.734SS**THydrogen-bonded Turntrans-58.2-11.9170.3-87.2163.5000112.9A49 Y51L47-A49 VanDerWaalsContact C-N 3.3Å; L47-A49 PolarHBondContact O-N 3.07Å; L47-Y51 WeakPolarHBondContact O-CD2 3.38Å
48D62.3Low55.7Low97 Ų97134.8 Ų134.852%0.51973%0.726SS.*Hα-helixtrans-71.4-19.3178-65.6-13.2000113.7T46 F50 Y51 K52T46-D48 PolarHBondContact O-N 3.09Å; D48-F50 PolarHBondContact O-N 3.48Å; D48-Y51 PolarHBondContact O-N 3.29Å; D48-K52 WeakPolarHBondContact O-CG 3.21Å; D48-K52 PolarHBondContact O-N 3.4Å
49A62.7Low56.5Low55 Ų55134 Ų13446%0.45573%0.73SS.*Hα-helixtrans-68.9-22.2179.500000113.2P44 T46 L47P44-A49 HydrophobicContact CB-CB 3.96Å; P44-A49 HydrophobicContact CG-CB 4.34Å; T46-A49 PolarHBondContact O-N 3.32Å; L47-A49 VanDerWaalsContact C-N 3.3Å; L47-A49 PolarHBondContact O-N 3.07Å
50F58.6Low56.7Low168 Ų168134.3 Ų134.374%0.73773%0.725SS**Hα-helixtrans-84.7-26.6177.9-162.8-99.4000112.8D48D48-F50 PolarHBondContact O-N 3.48Å
51Y61Low57.4Low186 Ų186133.5 Ų133.573%0.72972%0.717SS**Hα-helixtrans-94.1-0.8-178.7-66.3-75.2000114.1L47 D48 T53L47-Y51 WeakPolarHBondContact O-CD2 3.38Å; D48-Y51 PolarHBondContact O-N 3.29Å; Y51-T53 VanDerWaalsContact C-N 3.28Å; Y51-T53 PolarHBondContact O-N 3.08Å
52K59.7Low57.8Low160 Ų160136.2 Ų136.270%0.69673%0.727SS**  trans-87.814.2176.7-80.6178.7179.4176.70114.4D48 D54D48-K52 WeakPolarHBondContact O-CG 3.21Å; D48-K52 PolarHBondContact O-N 3.4Å; K52-D54 PolarHBondContact O-N 3.32Å
53T58.8Low57.9Low114 Ų114133 Ų13370%0.69971%0.71SS**SBendtrans-84.2111.6164.749.70000107.1Y51 A55Y51-T53 VanDerWaalsContact C-N 3.28Å; Y51-T53 PolarHBondContact O-N 3.08Å; T53-A55 PolarHBondContact O-N 2.93Å; T53-A55 VanDerWaalsContact O-N 3.14Å
54D55.9Low58.3Low136 Ų136131.5 Ų131.573%0.72771%0.71SS**  trans-49121177.4-62.7-45.2000109.4K52 D56 S57K52-D54 PolarHBondContact O-N 3.32Å; D54-D56 PolarHBondContact O-N 2.91Å; D54-S57 PolarHBondContact O-N 3.1Å
55A56.2Low58.5Low99 Ų99132.6 Ų132.682%0.81872%0.72SS**THydrogen-bonded Turntrans-64.1-2.3-178.500000113.6T53T53-A55 PolarHBondContact O-N 2.93Å; T53-A55 VanDerWaalsContact O-N 3.14Å
56D57.9Low58.3Low161 Ų161130.5 Ų130.586%0.86171%0.708SS**THydrogen-bonded Turntrans-114.27.6-170.5-63.8-20.9000114.3D54D54-D56 PolarHBondContact O-N 2.91Å
57S57.5Low58Low104 Ų104132.6 Ų132.673%0.72772%0.72SS**  trans-110.910-176.4-141.80000115.6D54 E59D54-S57 PolarHBondContact O-N 3.1Å; S57-E59 PolarHBondContact O-N 3.01Å
58F49.5Very low58.3Low159 Ų159131.9 Ų131.970%0.69771%0.713SS**  trans-9485.9169.5-164.5-95.4000109.8F60F58-F60 AromaticContact CD1-CD2 3.47Å; F58-F60 HydrophobicContact CD1-CD2 3.47Å; F58-F60 VanDerWaalsContact CD1-CD2 3.47Å; F58-F60 AromaticContact CD1-CE2 3.71Å; F58-F60 HydrophobicContact CD1-CE2 3.71Å; F58-F60 HydrophobicContact CD1-CG 4.18Å; F58-F60 HydrophobicContact CE1-CD1 4.33Å; F58-F60 AromaticContact CE1-CD2 3.45Å; F58-F60 HydrophobicContact CE1-CD2 3.45Å; F58-F60 VanDerWaalsContact CE1-CD2 3.45Å; F58-F60 HydrophobicContact CE1-CE1 4.32Å; F58-F60 AromaticContact CE1-CE2 3.43Å; F58-F60 HydrophobicContact CE1-CE2 3.43Å; F58-F60 VanDerWaalsContact CE1-CE2 3.43Å; F58-F60 AromaticContact CE1-CG 3.91Å; F58-F60 HydrophobicContact CE1-CG 3.91Å; F58-F60 AromaticContact CE1-CZ 3.89Å; F58-F60 HydrophobicContact CE1-CZ 3.89Å; F58-F60 PolarHBondContact O-N 3Å
59E58Low58.3Low183 Ų183133.1 Ų133.186%0.85573%0.726SS**  trans-65.998.1167.5-71.3-176.3176.600108.6S57S57-E59 PolarHBondContact O-N 3.01Å
60F53.6Low57.9Low169 Ų169137.9 Ų137.974%0.74174%0.743SS**  trans-59.4126.1166.9-110.8-82.1000108.1F58 S62F58-F60 AromaticContact CD1-CD2 3.47Å; F58-F60 HydrophobicContact CD1-CD2 3.47Å; F58-F60 VanDerWaalsContact CD1-CD2 3.47Å; F58-F60 AromaticContact CD1-CE2 3.71Å; F58-F60 HydrophobicContact CD1-CE2 3.71Å; F58-F60 HydrophobicContact CD1-CG 4.18Å; F58-F60 HydrophobicContact CE1-CD1 4.33Å; F58-F60 AromaticContact CE1-CD2 3.45Å; F58-F60 HydrophobicContact CE1-CD2 3.45Å; F58-F60 VanDerWaalsContact CE1-CD2 3.45Å; F58-F60 HydrophobicContact CE1-CE1 4.32Å; F58-F60 AromaticContact CE1-CE2 3.43Å; F58-F60 HydrophobicContact CE1-CE2 3.43Å; F58-F60 VanDerWaalsContact CE1-CE2 3.43Å; F58-F60 AromaticContact CE1-CG 3.91Å; F58-F60 HydrophobicContact CE1-CG 3.91Å; F58-F60 AromaticContact CE1-CZ 3.89Å; F58-F60 HydrophobicContact CE1-CZ 3.89Å; F58-F60 PolarHBondContact O-N 3Å; F60-S62 PolarHBondContact O-N 3.19Å; F60-S62 VanDerWaalsContact O-N 3.12Å
61P58.7Low58.1Low108 Ų108135.1 Ų135.170%0.70174%0.742SS**  trans-59.8120.7174.3-18.329.8000108.8D63P61-D63 PolarHBondContact O-N 3.34Å
62S59.8Low58.5Low111 Ų111132.6 Ų132.678%0.77675%0.746SS**SBendtrans-71.8-9.1-176.252.40000113.9F60F60-S62 PolarHBondContact O-N 3.19Å; F60-S62 VanDerWaalsContact O-N 3.12Å
63D58Low58.9Low106 Ų106131 Ų13157%0.56775%0.749SS**  trans-119.6112.9-176.8-74.5-27.7000112.5P61 S65P61-D63 PolarHBondContact O-N 3.34Å; D63-S65 PolarHBondContact O-N 3.21Å; D63-S65 VanDerWaalsContact O-N 3.14Å
64P62.7Low59.2Low128 Ų128130.5 Ų130.583%0.83175%0.746SS**THydrogen-bonded Turntrans-75.25.3179.230.7-35.1000114.1
65S63.5Low59.7Low108 Ų108133.4 Ų133.476%0.75575%0.747SS**THydrogen-bonded Turntrans-98.3-7.6-176.357.10000114.5D63D63-S65 PolarHBondContact O-N 3.21Å; D63-S65 VanDerWaalsContact O-N 3.14Å
66F51.3Low60.1Low158 Ų158135.9 Ų135.969%0.69374%0.742SS**  trans-111.861.6-180-164-100000111.6E68F66-E68 HydrophobicContact CZ-CG 4.29Å
67V54.9Low60.4Low122 Ų122131.7 Ų131.774%0.73973%0.729SS**  trans-108.390.3168.3-173.20000107.6
68E63Low60.7Low137 Ų137130.3 Ų130.364%0.6472%0.717SS**  trans-62.5128.4165-68.3-170.4168.600108.7F66 L70F66-E68 HydrophobicContact CZ-CG 4.29Å; E68-L70 PolarHBondContact O-N 3.31Å
69P62.9Low61.3Low123 Ų123127.6 Ų127.680%0.79971%0.709SS**  trans-70.2106.818028-32.6000109.4
70L53.9Low61.5Low156 Ų156124.8 Ų124.882%0.81770%0.699SS**  trans-61.8135174.5-67.1174000110.3E68 T72E68-L70 PolarHBondContact O-N 3.31Å; L70-T72 PolarHBondContact O-N 3.48Å
71P63.3Low62.1Low109 Ų109124.6 Ų124.671%0.70870%0.698SS**  trans-66.5129178.726.7-33.4000110.8V73P71-V73 PolarHBondContact O-N 2.68Å
72T68.7Low62.8Low134 Ų134123.3 Ų123.382%0.82269%0.685SS**  trans-67.4100.4178.7-30.40000110.4L70 V74L70-T72 PolarHBondContact O-N 3.48Å; T72-V74 PolarHBondContact O-N 2.9Å
73V68.3Low63.5Low126 Ų126125.4 Ų125.476%0.76468%0.68SS**  trans-7693.9175.4-178.40000109.5P71 R75P71-V73 PolarHBondContact O-N 2.68Å; V73-R75 PolarHBondContact O-N 2.93Å
74V65Low64.4Low104 Ų104127.4 Ų127.463%0.6368%0.684SS**  trans-75.3116.1171.6-173.70000108.6T72 Q76T72-V74 PolarHBondContact O-N 2.9Å; V74-Q76 PolarHBondContact O-N 2.94Å
75R67.1Low65.1Low196 Ų196123.6 Ų123.674%0.7466%0.66SS**  trans-65.396.9-178.8-63-179.6-176.1166.40.9110.6V73 A77 T78V73-R75 PolarHBondContact O-N 2.93Å; R75-A77 PolarHBondContact O-N 3.46Å; R75-T78 PolarHBondContact O-N 3.2Å; R75-T78 PolarHBondContact O-OG1 3.17Å
76Q65.1Low66.1Low152 Ų152124.7 Ų124.771%0.7165%0.651SS**Hα-helixtrans-62.4-23.6178.8-63.7-169-1.900113.7V74 T78 L79 L80V74-Q76 PolarHBondContact O-N 2.94Å; Q76-T78 VanDerWaalsContact C-N 3.3Å; Q76-T78 PolarHBondContact O-N 3.39Å; Q76-L79 PolarHBondContact O-N 3.11Å; Q76-L80 PolarHBondContact O-N 3.35Å
77A64.5Low67.6Low72 Ų72124 Ų12460%0.59565%0.65SS**Hα-helixtrans-64.6-28.9-178.200000113.9R75 K81R75-A77 PolarHBondContact O-N 3.46Å; A77-K81 PolarHBondContact O-N 3Å
78T64Low68.9Low76 Ų76124.3 Ų124.347%0.46664%0.644SS.*Hα-helixtrans-72.8-41.6177.756.10000111.1R75 Q76 L80 K81 D82R75-T78 PolarHBondContact O-N 3.2Å; R75-T78 PolarHBondContact O-OG1 3.17Å; Q76-T78 VanDerWaalsContact C-N 3.3Å; Q76-T78 PolarHBondContact O-N 3.39Å; T78-L80 PolarHBondContact O-N 3.12Å; T78-K81 PolarHBondContact O-N 3.44Å; T78-D82 VanDerWaalsContact O-CG 3.26Å; T78-D82 PolarHBondContact O-N 3.48Å
79L60.2Low69.9Low102 Ų102122 Ų12253%0.53464%0.635SS.*Hα-helixtrans-61.7-38.7179.1-74.1169.4000113.3Q76 D82 K83Q76-L79 PolarHBondContact O-N 3.11Å; L79-D82 PolarHBondContact O-N 2.73Å; L79-K83 VanDerWaalsContact O-CG 3.3Å; L79-K83 WeakPolarHBondContact O-CG 3.49Å; L79-K83 PolarHBondContact O-N 2.83Å
80L63.8Low71.2Confident123 Ų123122.5 Ų122.564%0.64463%0.625SS**Hα-helixtrans-68.9-37.6177.2-71172.5000112.3Q76 T78 K83 K84Q76-L80 PolarHBondContact O-N 3.35Å; T78-L80 PolarHBondContact O-N 3.12Å; L80-K83 PolarHBondContact O-N 3.39Å; L80-K84 PolarHBondContact O-N 2.95Å; L80-K84 VanDerWaalsContact O-N 3.07Å
81K66.3Low72.7Confident165 Ų165118 Ų11872%0.71761%0.607SS**Hα-helixtrans-63.3-42.9172.5-90.7174.3174.6176.10111.2A77 T78 K83 K84 S85A77-K81 PolarHBondContact O-N 3Å; T78-K81 PolarHBondContact O-N 3.44Å; K81-K83 VanDerWaalsContact C-N 3.32Å; K81-K83 PolarHBondContact O-N 3.26Å; K81-K84 PolarHBondContact O-N 3.43Å; K81-S85 PolarHBondContact O-N 3.07Å; K81-S85 PolarHBondContact O-OG 2.97Å
82D72Confident73.7Confident81 Ų81120.7 Ų120.743%0.43360%0.603SS.*Hα-helixtrans-66.6-31.7178.4-66-21.1000113.1T78 L79 S85 K86T78-D82 VanDerWaalsContact O-CG 3.26Å; T78-D82 PolarHBondContact O-N 3.48Å; L79-D82 PolarHBondContact O-N 2.73Å; D82-S85 WeakPolarHBondContact CA-OG 3.37Å; D82-S85 PolarHBondContact O-OG 3.43Å; D82-S85 VanDerWaalsContact O-OG 3.08Å; D82-K86 WeakPolarHBondContact O-CB 3.44Å; D82-K86 WeakPolarHBondContact O-CD 3.36Å; D82-K86 WeakPolarHBondContact O-CG 3.42Å; D82-K86 PolarHBondContact O-N 3.47Å
83K75.9Confident74.7Confident156 Ų156120.9 Ų120.968%0.67859%0.592SS**Hα-helixtrans-74.4-41.8175.1-67.2-132.7-178.4176.50112.1L79 L80 K81 K86 Q87L79-K83 VanDerWaalsContact O-CG 3.3Å; L79-K83 WeakPolarHBondContact O-CG 3.49Å; L79-K83 PolarHBondContact O-N 2.83Å; L80-K83 PolarHBondContact O-N 3.39Å; K81-K83 VanDerWaalsContact C-N 3.32Å; K81-K83 PolarHBondContact O-N 3.26Å; K83-K86 PolarHBondContact O-N 3.41Å; K83-Q87 PolarHBondContact O-N 3.01Å; K83-Q87 VanDerWaalsContact O-N 3.09Å
84K76.6Confident75.7Confident148 Ų148121.1 Ų121.164%0.64359%0.585SS**Hα-helixtrans-62.3-47.6175.7-93.3-174.5171.3-178.90111.8L80 K81 K86 Q87 E88L80-K84 PolarHBondContact O-N 2.95Å; L80-K84 VanDerWaalsContact O-N 3.07Å; K81-K84 PolarHBondContact O-N 3.43Å; K84-K86 VanDerWaalsContact C-N 3.34Å; K84-K86 PolarHBondContact O-N 3.17Å; K84-Q87 PolarHBondContact O-N 3.33Å; K84-Q87 VanDerWaalsContact O-N 3.07Å; K84-E88 PolarHBondContact O-N 2.98Å
85S77.6Confident76.7Confident47 Ų47116.9 Ų116.933%0.32956%0.561SS.*Hα-helixtrans-60.2-43.3178.460.80000112K81 D82 Q87 E88 D89K81-S85 PolarHBondContact O-N 3.07Å; K81-S85 PolarHBondContact O-OG 2.97Å; D82-S85 WeakPolarHBondContact CA-OG 3.37Å; D82-S85 PolarHBondContact O-OG 3.43Å; D82-S85 VanDerWaalsContact O-OG 3.08Å; S85-Q87 VanDerWaalsContact C-N 3.28Å; S85-Q87 PolarHBondContact O-N 3.49Å; S85-E88 PolarHBondContact O-N 3.13Å; S85-D89 WeakPolarHBondContact O-CB 3.36Å; S85-D89 PolarHBondContact O-N 2.94Å
86K83.1Confident77.6Confident132 Ų132111 Ų11157%0.57454%0.542SS*.Hα-helixtrans-61.9-33.2174.9-75173-173.6174.50113.3D82 K83 K84 K90D82-K86 WeakPolarHBondContact O-CB 3.44Å; D82-K86 WeakPolarHBondContact O-CD 3.36Å; D82-K86 WeakPolarHBondContact O-CG 3.42Å; D82-K86 PolarHBondContact O-N 3.47Å; K83-K86 PolarHBondContact O-N 3.41Å; K84-K86 VanDerWaalsContact C-N 3.34Å; K84-K86 PolarHBondContact O-N 3.17Å; K86-K90 WeakPolarHBondContact O-CG 3.34Å; K86-K90 PolarHBondContact O-N 2.87Å
87Q84Confident78.7Confident143 Ų143108 Ų10867%0.66853%0.53SS*.Hα-helixtrans-75.5-42.1178-170.6175.3-10.600111.3K83 K84 S85 K90 S91K83-Q87 PolarHBondContact O-N 3.01Å; K83-Q87 VanDerWaalsContact O-N 3.09Å; K84-Q87 PolarHBondContact O-N 3.33Å; K84-Q87 VanDerWaalsContact O-N 3.07Å; S85-Q87 VanDerWaalsContact C-N 3.28Å; S85-Q87 PolarHBondContact O-N 3.49Å; Q87-K90 PolarHBondContact O-N 2.98Å; Q87-S91 PolarHBondContact O-N 3.47Å
88E82.2Confident79.9Confident129 Ų129109.3 Ų109.360%0.60352%0.524SS*.Hα-helixtrans-59.2-46.6173.1-74.5171.9-175.300111.1K84 S85 K90 S91 R92K84-E88 PolarHBondContact O-N 2.98Å; S85-E88 PolarHBondContact O-N 3.13Å; E88-K90 PolarHBondContact O-N 3.07Å; E88-S91 PolarHBondContact O-N 3.37Å; E88-S91 PolarHBondContact O-OG 2.89Å; E88-R92 WeakPolarHBondContact O-CB 3.3Å; E88-R92 PolarHBondContact O-N 3.49Å
89D84.2Confident81Confident87 Ų87105.7 Ų105.747%0.46550%0.502SS..Hα-helixtrans-62-39.3177.6-75.9-30.9000113.1S85 R92 K93S85-D89 WeakPolarHBondContact O-CB 3.36Å; S85-D89 PolarHBondContact O-N 2.94Å; D89-R92 PolarHBondContact O-N 2.65Å; D89-K93 WeakPolarHBondContact O-CG 3.4Å; D89-K93 PolarHBondContact O-N 3.47Å; D89-K93 VanDerWaalsContact O-N 3.11Å
90K89.2Confident82.2Confident135 Ų135108.1 Ų108.159%0.58750%0.504SS*.Hα-helixtrans-63.6-47.9173.9-75.1172-176.7-172.90110.9K86 Q87 E88 R92 K93 E94K86-K90 WeakPolarHBondContact O-CG 3.34Å; K86-K90 PolarHBondContact O-N 2.87Å; Q87-K90 PolarHBondContact O-N 2.98Å; E88-K90 PolarHBondContact O-N 3.07Å; K90-R92 VanDerWaalsContact C-N 3.26Å; K90-R92 PolarHBondContact O-N 3.16Å; K90-K93 PolarHBondContact O-N 3.17Å; K90-E94 WeakPolarHBondContact O-CG 3.42Å; K90-E94 PolarHBondContact O-N 2.84Å
91S86.5Confident83.4Confident61 Ų61109 Ų10943%0.42750%0.499SS..Hα-helixtrans-60.5-36.917975.20000112.1Q87 E88 E94 A95Q87-S91 PolarHBondContact O-N 3.47Å; E88-S91 PolarHBondContact O-N 3.37Å; E88-S91 PolarHBondContact O-OG 2.89Å; S91-E94 PolarHBondContact O-N 3.49Å; S91-A95 WeakPolarHBondContact O-CB 3.26Å; S91-A95 PolarHBondContact O-N 3.16Å
92R84Confident84.5Confident166 Ų166103.5 Ų103.563%0.62648%0.478SS*.Hα-helixtrans-66.9-42.7176.8-175.1179.1172.6-169-1.4112.1E88 D89 K90 A95 E96E88-R92 WeakPolarHBondContact O-CB 3.3Å; E88-R92 PolarHBondContact O-N 3.49Å; D89-R92 PolarHBondContact O-N 2.65Å; K90-R92 VanDerWaalsContact C-N 3.26Å; K90-R92 PolarHBondContact O-N 3.16Å; R92-A95 PolarHBondContact O-N 3.42Å; R92-E96 WeakPolarHBondContact O-CB 3.5Å; R92-E96 PolarHBondContact O-N 3.39Å
93K88.8Confident85.1Confident138 Ų138101.4 Ų101.460%0.647%0.468SS*.Hα-helixtrans-65.7-39.8176.2-72.5173.2-177.4175.20112D89 K90 E96 L97D89-K93 WeakPolarHBondContact O-CG 3.4Å; D89-K93 PolarHBondContact O-N 3.47Å; D89-K93 VanDerWaalsContact O-N 3.11Å; K90-K93 PolarHBondContact O-N 3.17Å; K93-E96 PolarHBondContact O-N 2.99Å; K93-L97 WeakPolarHBondContact O-CG 3.21Å; K93-L97 PolarHBondContact O-N 3.31Å
94E89Confident85.6Confident131 Ų131103.3 Ų103.361%0.61247%0.471SS*.Hα-helixtrans-64.1-45.9175-72.8169.6-168.500111K90 S91 E96 L97 E98K90-E94 WeakPolarHBondContact O-CG 3.42Å; K90-E94 PolarHBondContact O-N 2.84Å; S91-E94 PolarHBondContact O-N 3.49Å; E94-E96 VanDerWaalsContact C-N 3.32Å; E94-E96 PolarHBondContact O-N 3.1Å; E94-L97 PolarHBondContact O-N 2.95Å; E94-E98 WeakPolarHBondContact O-CB 3.08Å; E94-E98 PolarHBondContact O-N 3.29Å
95A86.5Confident86.2Confident15 Ų15102 Ų10212%0.12447%0.471CS..Hα-helixtrans-62.3-37.7175.900000112.7S91 R92 E98 A99S91-A95 WeakPolarHBondContact O-CB 3.26Å; S91-A95 PolarHBondContact O-N 3.16Å; R92-A95 PolarHBondContact O-N 3.42Å; A95-E98 PolarHBondContact O-N 2.8Å; A95-A99 VanDerWaalsContact O-CB 3.26Å; A95-A99 WeakPolarHBondContact O-CB 2.81Å; A95-A99 PolarHBondContact O-N 3.04Å
96E86.1Confident86.8Confident73 Ų73104.4 Ų104.434%0.34148%0.476SS..Hα-helixtrans-64.8-45.1174.5160.3160.6-15300112.1Y14 R92 K93 E94 R100Y14-E96 HydrophobicContact CD2-CB 4.35Å; Y14-E96 HydrophobicContact CD2-CG 4.38Å; Y14-E96 HydrophobicContact CE1-CG 4.45Å; Y14-E96 HydrophobicContact CE2-CB 3.95Å; Y14-E96 HydrophobicContact CE2-CG 3.5Å; Y14-E96 WeakPolarHBondContact CE2-OE1 3.41Å; Y14-E96 WeakPolarHBondContact OH-CG 3.43Å; Y14-E96 PolarHBondContact OH-OE1 3.18Å; R92-E96 WeakPolarHBondContact O-CB 3.5Å; R92-E96 PolarHBondContact O-N 3.39Å; K93-E96 PolarHBondContact O-N 2.99Å; E94-E96 VanDerWaalsContact C-N 3.32Å; E94-E96 PolarHBondContact O-N 3.1Å; E96-R100 WeakPolarHBondContact O-CB 3.33Å; E96-R100 PolarHBondContact O-N 3.48Å
97L88.7Confident87.1Confident88 Ų8899.9 Ų99.946%0.46147%0.467SS..Hα-helixtrans-63-45.6174-74.9176.6000111.3K93 E94 A99 R100 Y101K93-L97 WeakPolarHBondContact O-CG 3.21Å; K93-L97 PolarHBondContact O-N 3.31Å; E94-L97 PolarHBondContact O-N 2.95Å; L97-A99 PolarHBondContact O-N 3.44Å; L97-R100 WeakPolarHBondContact O-CB 3.41Å; L97-R100 PolarHBondContact O-N 3.39Å; L97-R100 VanDerWaalsContact O-N 3.16Å; L97-Y101 HydrophobicContact CB-CE2 4.47Å; L97-Y101 WeakPolarHBondContact O-CD2 3.05Å; L97-Y101 PolarHBondContact O-N 3.31Å
98E89.6Confident87.3Confident100 Ų10098.7 Ų98.747%0.46746%0.463SS..Hα-helixtrans-61.1-45.6178.6-166.4-170.716100111.3K11 E94 A95 R100 Y101 D102K11-E98 VanDerWaalsContact NZ-CD 3.31Å; K11-E98 IonicContact NZ-OE1 3.72Å; K11-E98 PolarHBondContact NZ-OE1 3.43Å; E94-E98 WeakPolarHBondContact O-CB 3.08Å; E94-E98 PolarHBondContact O-N 3.29Å; A95-E98 PolarHBondContact O-N 2.8Å; E98-R100 VanDerWaalsContact C-N 3.28Å; E98-R100 PolarHBondContact O-N 2.79Å; E98-Y101 PolarHBondContact O-N 2.88Å; E98-D102 PolarHBondContact O-N 2.68Å
99A87.6Confident87.5Confident0 Ų098.8 Ų98.80%046%0.462CS..Hα-helixtrans-60.7-38.7175.100000112.1K11 Y14 L15 A95 L97 D102 V103K11-A99 HydrophobicContact CG-CB 4.08Å; Y14-A99 HydrophobicContact CD1-CB 3.36Å; Y14-A99 HydrophobicContact CE1-CB 3.81Å; Y14-A99 HydrophobicContact CG-CB 4.25Å; L15-A99 HydrophobicContact CD2-CB 4.03Å; L15-A99 WeakPolarHBondContact CD2-O 3.35Å; L15-A99 HydrophobicContact CG-CB 4.09Å; A95-A99 VanDerWaalsContact O-CB 3.26Å; A95-A99 WeakPolarHBondContact O-CB 2.81Å; A95-A99 PolarHBondContact O-N 3.04Å; L97-A99 PolarHBondContact O-N 3.44Å; A99-D102 PolarHBondContact O-N 2.9Å; A99-V103 PolarHBondContact O-N 3.44Å; A99-V103 VanDerWaalsContact O-N 3.16Å
100R85.1Confident87.8Confident153 Ų15397.9 Ų97.958%0.57746%0.46SS*.Hα-helixtrans-65-42.4175.1-172.7179.6179.2176.7-0.4111.6E96 L97 E98 D102 V103 W104E96-R100 WeakPolarHBondContact O-CB 3.33Å; E96-R100 PolarHBondContact O-N 3.48Å; L97-R100 WeakPolarHBondContact O-CB 3.41Å; L97-R100 PolarHBondContact O-N 3.39Å; L97-R100 VanDerWaalsContact O-N 3.16Å; E98-R100 VanDerWaalsContact C-N 3.28Å; E98-R100 PolarHBondContact O-N 2.79Å; R100-D102 VanDerWaalsContact C-N 3.34Å; R100-V103 PolarHBondContact O-N 3.42Å; R100-W104 WeakPolarHBondContact O-CB 3.37Å; R100-W104 PolarHBondContact O-N 3.43Å
101Y89Confident87.7Confident140 Ų14093.3 Ų93.355%0.54944%0.441SS..Hα-helixtrans-66.6-35.9176-78.1-63.5000112.2L97 E98 V103 W104 N105L97-Y101 HydrophobicContact CB-CE2 4.47Å; L97-Y101 WeakPolarHBondContact O-CD2 3.05Å; L97-Y101 PolarHBondContact O-N 3.31Å; E98-Y101 PolarHBondContact O-N 2.88Å; Y101-V103 PolarHBondContact O-N 3.21Å; Y101-W104 PolarHBondContact O-N 2.84Å; Y101-N105 VanDerWaalsContact O-CB 3.25Å; Y101-N105 WeakPolarHBondContact O-CB 3.14Å; Y101-N105 PolarHBondContact O-N 3.28Å; Y101-N105 PolarHBondContact O-ND2 3.24Å
102D88Confident87.9Confident51 Ų5195.6 Ų95.627%0.27345%0.445SS..Hα-helixtrans-61.5-42.8174.9-826.5000112.3K11 E98 A99 R100 K106K11-D102 WeakPolarHBondContact CE-OD2 3.25Å; K11-D102 IonicContact NZ-OD1 3.17Å; K11-D102 IonicContact NZ-OD2 3.12Å; K11-D102 PolarHBondContact NZ-OD2 2.99Å; E98-D102 PolarHBondContact O-N 2.68Å; A99-D102 PolarHBondContact O-N 2.9Å; R100-D102 VanDerWaalsContact C-N 3.34Å; D102-K106 VanDerWaalsContact O-CD 3.26Å; D102-K106 WeakPolarHBondContact O-CD 3.44Å; D102-K106 WeakPolarHBondContact O-CE 3.33Å; D102-K106 WeakPolarHBondContact O-CG 3.47Å; D102-K106 PolarHBondContact O-N 3.48Å
103V85Confident88.2Confident36 Ų3693.6 Ų93.622%0.21844%0.443CS..Hα-helixtrans-68.6-42.9175178.30000110.7L15 L19 A99 R100 Y101 N105 K106 L111L15-V103 HydrophobicContact CD2-CG2 3.24Å; L19-V103 HydrophobicContact CD1-CG2 4.49Å; L19-V103 HydrophobicContact CD2-CG1 3.79Å; L19-V103 HydrophobicContact CD2-CG2 4.06Å; L19-V103 HydrophobicContact CG-CG2 4.26Å; A99-V103 PolarHBondContact O-N 3.44Å; A99-V103 VanDerWaalsContact O-N 3.16Å; R100-V103 PolarHBondContact O-N 3.42Å; Y101-V103 PolarHBondContact O-N 3.21Å; V103-N105 PolarHBondContact O-N 2.71Å; V103-K106 PolarHBondContact O-N 3.47Å; V103-L111 HydrophobicContact CG1-CD1 4.09Å
104W87.5Confident88.3Confident196 Ų19690.8 Ų90.874%0.74244%0.437SS*.Hα-helixtrans-65.2-39-177.1-176-78.2000113.1R100 Y101 K106R100-W104 WeakPolarHBondContact O-CB 3.37Å; R100-W104 PolarHBondContact O-N 3.43Å; Y101-W104 PolarHBondContact O-N 2.84Å; W104-K106 VanDerWaalsContact C-N 3.29Å
105N89.7Confident88.4Confident122 Ų12290.9 Ų90.965%0.65243%0.433SS*.Hα-helixtrans-79.2-13.6-178.9-68-24.5000112.7Y101 V103Y101-N105 VanDerWaalsContact O-CB 3.25Å; Y101-N105 WeakPolarHBondContact O-CB 3.14Å; Y101-N105 PolarHBondContact O-N 3.28Å; Y101-N105 PolarHBondContact O-ND2 3.24Å; V103-N105 PolarHBondContact O-N 2.71Å
106K89.4Confident88.6Confident97 Ų9793.3 Ų93.342%0.42244%0.444SS..SBendtrans-76.7147.8172.7-74.6168-170.8-177.60110.5D102 V103 W104 L111D102-K106 VanDerWaalsContact O-CD 3.26Å; D102-K106 WeakPolarHBondContact O-CD 3.44Å; D102-K106 WeakPolarHBondContact O-CE 3.33Å; D102-K106 WeakPolarHBondContact O-CG 3.47Å; D102-K106 PolarHBondContact O-N 3.48Å; V103-K106 PolarHBondContact O-N 3.47Å; W104-K106 VanDerWaalsContact C-N 3.29Å; K106-L111 HydrophobicContact CB-CD1 4.2Å; K106-L111 HydrophobicContact CB-CD2 4.19Å; K106-L111 HydrophobicContact CB-CG 4.05Å; K106-L111 HydrophobicContact CD-CD2 3.84Å
107G88.6Confident89Confident37 Ų3796 Ų9638%0.38145%0.454SS..  trans-69.7139175.600000111.5K109 T110 L111G107-K109 VanDerWaalsContact C-N 3.32Å; G107-K109 PolarHBondContact O-N 3.06Å; G107-T110 WeakPolarHBondContact CA-OG1 3.26Å; G107-T110 PolarHBondContact N-OG1 3.21Å; G107-T110 VanDerWaalsContact N-OG1 3.14Å; G107-T110 PolarHBondContact O-N 2.97Å; G107-T110 VanDerWaalsContact O-N 3.13Å; G107-T110 PolarHBondContact O-OG1 3.17Å; G107-L111 PolarHBondContact O-N 2.99Å
108I88.3Confident89.3Confident117 Ų11796.5 Ų96.560%0.646%0.457SS*.Hα-helixtrans-55.9-48.1177-60.6170.3000110.6T110 L111 E112I108-T110 VanDerWaalsContact C-N 3.34Å; I108-T110 PolarHBondContact O-N 3.43Å; I108-L111 PolarHBondContact O-N 2.87Å; I108-E112 PolarHBondContact O-N 3.44Å
109K86.8Confident89.4Confident131 Ų13197.6 Ų97.657%0.5746%0.461SS*.Hα-helixtrans-61.5-40.1177.2-71.5-168.5173.2-166.90112.8G107 L111 E112 E113G107-K109 VanDerWaalsContact C-N 3.32Å; G107-K109 PolarHBondContact O-N 3.06Å; K109-L111 VanDerWaalsContact C-N 3.31Å; K109-L111 PolarHBondContact O-N 2.83Å; K109-E112 PolarHBondContact O-N 3.45Å; K109-E113 WeakPolarHBondContact O-CB 3.34Å; K109-E113 VanDerWaalsContact O-CG 3.23Å; K109-E113 WeakPolarHBondContact O-CG 3.24Å; K109-E113 PolarHBondContact O-N 2.95Å
110T90.1Very high89.7Confident69 Ų69102.9 Ų102.942%0.42349%0.485SS..Hα-helixtrans-64.2-36.8177.458.30000112.2G107 I108 T114G107-T110 WeakPolarHBondContact CA-OG1 3.26Å; G107-T110 PolarHBondContact N-OG1 3.21Å; G107-T110 VanDerWaalsContact N-OG1 3.14Å; G107-T110 PolarHBondContact O-N 2.97Å; G107-T110 VanDerWaalsContact O-N 3.13Å; G107-T110 PolarHBondContact O-OG1 3.17Å; I108-T110 VanDerWaalsContact C-N 3.34Å; I108-T110 PolarHBondContact O-N 3.43Å; T110-T114 VanDerWaalsContact O-CG2 3.24Å; T110-T114 WeakPolarHBondContact O-CG2 3.43Å; T110-T114 PolarHBondContact O-N 3.46Å; T110-T114 PolarHBondContact O-OG1 2.97Å
111L88.7Confident90.2Very high38 Ų38100.2 Ų100.220%0.19948%0.479CS..Hα-helixtrans-68.7-45175.8-73.2174.3000110.9L19 V103 K106 G107 I108 K109 T114 Y115L19-L111 HydrophobicContact CD2-CD1 4.37Å; L19-L111 HydrophobicContact CD2-CD2 4.35Å; V103-L111 HydrophobicContact CG1-CD1 4.09Å; K106-L111 HydrophobicContact CB-CD1 4.2Å; K106-L111 HydrophobicContact CB-CD2 4.19Å; K106-L111 HydrophobicContact CB-CG 4.05Å; K106-L111 HydrophobicContact CD-CD2 3.84Å; G107-L111 PolarHBondContact O-N 2.99Å; I108-L111 PolarHBondContact O-N 2.87Å; K109-L111 VanDerWaalsContact C-N 3.31Å; K109-L111 PolarHBondContact O-N 2.83Å; L111-T114 WeakPolarHBondContact CA-OG1 3.19Å; L111-T114 PolarHBondContact O-N 3.5Å; L111-T114 PolarHBondContact O-OG1 3.22Å; L111-Y115 PolarHBondContact O-N 3.47Å
112E88.7Confident90.5Very high110 Ų110100.3 Ų100.351%0.51449%0.485SS..Hα-helixtrans-59.7-48.1176.1-172.8178.1-176.400111.8I108 K109 T114 Y115 N116I108-E112 PolarHBondContact O-N 3.44Å; K109-E112 PolarHBondContact O-N 3.45Å; E112-T114 VanDerWaalsContact C-N 3.34Å; E112-T114 PolarHBondContact O-N 2.79Å; E112-Y115 PolarHBondContact O-N 2.68Å; E112-N116 WeakPolarHBondContact O-CB 3.42Å; E112-N116 VanDerWaalsContact O-CG 3.27Å; E112-N116 PolarHBondContact O-N 3.49Å
113E91.5Very high90.7Very high123 Ų123103.3 Ų103.358%0.57549%0.493SS*.Hα-helixtrans-58.1-43.4174.4-74.5166.2-16500111.7K109 Y115 N116 K117K109-E113 WeakPolarHBondContact O-CB 3.34Å; K109-E113 VanDerWaalsContact O-CG 3.23Å; K109-E113 WeakPolarHBondContact O-CG 3.24Å; K109-E113 PolarHBondContact O-N 2.95Å; E113-Y115 VanDerWaalsContact C-N 3.35Å; E113-Y115 PolarHBondContact O-N 2.89Å; E113-N116 PolarHBondContact O-N 3.27Å; E113-K117 WeakPolarHBondContact O-CB 3.22Å; E113-K117 PolarHBondContact O-N 2.73Å
114T90.9Very high91Very high79 Ų79107.2 Ų107.249%0.48551%0.509SS..Hα-helixtrans-65.2-38.3177.355.90000112.7T110 L111 E112 L118T110-T114 VanDerWaalsContact O-CG2 3.24Å; T110-T114 WeakPolarHBondContact O-CG2 3.43Å; T110-T114 PolarHBondContact O-N 3.46Å; T110-T114 PolarHBondContact O-OG1 2.97Å; L111-T114 WeakPolarHBondContact CA-OG1 3.19Å; L111-T114 PolarHBondContact O-N 3.5Å; L111-T114 PolarHBondContact O-OG1 3.22Å; E112-T114 VanDerWaalsContact C-N 3.34Å; E112-T114 PolarHBondContact O-N 2.79Å; T114-L118 WeakPolarHBondContact O-CG 3.41Å; T114-L118 PolarHBondContact O-N 2.61Å
115Y90Very high91.3Very high134 Ų134102.7 Ų102.753%0.52551%0.507SS..Hα-helixtrans-68-46.9176.8177.8-95.8000111.2L111 E112 E113 K117 L118 K119L111-Y115 PolarHBondContact O-N 3.47Å; E112-Y115 PolarHBondContact O-N 2.68Å; E113-Y115 VanDerWaalsContact C-N 3.35Å; E113-Y115 PolarHBondContact O-N 2.89Å; Y115-K117 VanDerWaalsContact C-N 3.31Å; Y115-K117 PolarHBondContact O-N 2.97Å; Y115-L118 PolarHBondContact O-N 3.48Å; Y115-K119 PolarHBondContact O-N 3.18Å
116N91Very high91.5Very high65 Ų65101 Ų10135%0.34851%0.505SS..Hα-helixtrans-60.9-42.8177-69.9-14.6000110.9E112 E113 L118 K119 E120E112-N116 WeakPolarHBondContact O-CB 3.42Å; E112-N116 VanDerWaalsContact O-CG 3.27Å; E112-N116 PolarHBondContact O-N 3.49Å; E113-N116 PolarHBondContact O-N 3.27Å; N116-L118 PolarHBondContact O-N 3.16Å; N116-K119 PolarHBondContact O-N 3.32Å; N116-E120 WeakPolarHBondContact O-CB 3.26Å; N116-E120 VanDerWaalsContact O-CG 3.3Å; N116-E120 WeakPolarHBondContact O-CG 3.46Å; N116-E120 PolarHBondContact O-N 3.32Å
117K94.6Very high91.6Very high129 Ų12999.8 Ų99.856%0.56150%0.5SS*.Hα-helixtrans-60.9-42175.5-173.9175.3-177.1175.80112.6E113 Y115 E120 Q121E113-K117 WeakPolarHBondContact O-CB 3.22Å; E113-K117 PolarHBondContact O-N 2.73Å; Y115-K117 VanDerWaalsContact C-N 3.31Å; Y115-K117 PolarHBondContact O-N 2.97Å; K117-E120 PolarHBondContact O-N 3.08Å; K117-Q121 WeakPolarHBondContact O-CB 3.34Å; K117-Q121 VanDerWaalsContact O-CG 3.22Å; K117-Q121 WeakPolarHBondContact O-CG 3.42Å; K117-Q121 PolarHBondContact O-N 3.2Å
118L95.3Very high91.8Very high100 Ų100102.9 Ų102.952%0.52451%0.513SS..Hα-helixtrans-64-44.2175.3-76.2173.3000111.5T114 Y115 N116 E120 Q121 E122T114-L118 WeakPolarHBondContact O-CG 3.41Å; T114-L118 PolarHBondContact O-N 2.61Å; Y115-L118 PolarHBondContact O-N 3.48Å; N116-L118 PolarHBondContact O-N 3.16Å; L118-E120 PolarHBondContact O-N 3.49Å; L118-Q121 PolarHBondContact O-N 3.41Å; L118-E122 WeakPolarHBondContact O-CG 3.34Å; L118-E122 PolarHBondContact O-N 3.13Å
119K92.9Very high91.9Very high123 Ų123106.1 Ų106.154%0.53553%0.531SS..Hα-helixtrans-61.9-43176.5-172.7-174.4177.8-1690111.6Y115 N116 E122 Y123Y115-K119 PolarHBondContact O-N 3.18Å; N116-K119 PolarHBondContact O-N 3.32Å; K119-E122 PolarHBondContact O-N 3.42Å; K119-Y123 WeakPolarHBondContact O-CB 3.38Å; K119-Y123 PolarHBondContact O-N 3.14Å
120E92.2Very high92.2Very high110 Ų110102.2 Ų102.251%0.51452%0.522SS..Hα-helixtrans-62-44.9174.6-76.6171.5-175.700111N116 K117 L118 E122 Y123 E124N116-E120 WeakPolarHBondContact O-CB 3.26Å; N116-E120 VanDerWaalsContact O-CG 3.3Å; N116-E120 WeakPolarHBondContact O-CG 3.46Å; N116-E120 PolarHBondContact O-N 3.32Å; K117-E120 PolarHBondContact O-N 3.08Å; L118-E120 PolarHBondContact O-N 3.49Å; E120-E122 PolarHBondContact O-N 3.37Å; E120-Y123 CarbonylContact O-C 3.55Å; E120-Y123 PolarHBondContact O-N 3.02Å; E120-Y123 VanDerWaalsContact O-N 3.16Å; E120-E124 WeakPolarHBondContact O-CB 3.3Å; E120-E124 VanDerWaalsContact O-CG 3.26Å; E120-E124 WeakPolarHBondContact O-CG 3.48Å; E120-E124 PolarHBondContact O-N 2.82Å
121Q96.4Very high92.3Very high98 Ų98106.7 Ų106.746%0.45853%0.532SS..Hα-helixtrans-61.9-43.2177-76.7179.3-39.500112.6K117 L118 Y123 E124 S125K117-Q121 WeakPolarHBondContact O-CB 3.34Å; K117-Q121 VanDerWaalsContact O-CG 3.22Å; K117-Q121 WeakPolarHBondContact O-CG 3.42Å; K117-Q121 PolarHBondContact O-N 3.2Å; L118-Q121 PolarHBondContact O-N 3.41Å; Q121-Y123 VanDerWaalsContact C-N 3.3Å; Q121-Y123 PolarHBondContact O-N 2.63Å; Q121-E124 PolarHBondContact O-N 3.32Å; Q121-S125 WeakPolarHBondContact O-CB 3.28Å; Q121-S125 PolarHBondContact O-N 3.47Å
122E95Very high92.5Very high141 Ų141112.2 Ų112.266%0.65955%0.551SS**Hα-helixtrans-59.7-44.6173.7-73.5178.4-178.500110.5L118 K119 E120 S125 S126L118-E122 WeakPolarHBondContact O-CG 3.34Å; L118-E122 PolarHBondContact O-N 3.13Å; K119-E122 PolarHBondContact O-N 3.42Å; E120-E122 PolarHBondContact O-N 3.37Å; E122-S125 PolarHBondContact O-N 3.49Å; E122-S125 PolarHBondContact O-OG 3.19Å; E122-S126 PolarHBondContact O-N 3.26Å
123Y92.4Very high92.7Very high115 Ų115111.7 Ų111.745%0.45157%0.565SS.*Hα-helixtrans-66.9-45.3178.9-175.8-134.6000112.6K119 E120 Q121 S125 S126 D137K119-Y123 WeakPolarHBondContact O-CB 3.38Å; K119-Y123 PolarHBondContact O-N 3.14Å; E120-Y123 CarbonylContact O-C 3.55Å; E120-Y123 PolarHBondContact O-N 3.02Å; E120-Y123 VanDerWaalsContact O-N 3.16Å; Q121-Y123 VanDerWaalsContact C-N 3.3Å; Q121-Y123 PolarHBondContact O-N 2.63Å; Y123-S125 VanDerWaalsContact C-N 3.31Å; Y123-S125 PolarHBondContact O-N 2.84Å; Y123-S126 WeakPolarHBondContact O-CB 3.34Å; Y123-S126 PolarHBondContact O-N 3.03Å; Y123-S126 VanDerWaalsContact O-N 3.08Å; Y123-S126 PolarHBondContact O-OG 3.4Å; Y123-D137 WeakPolarHBondContact CE1-OD2 3.42Å; Y123-D137 PolarHBondContact OH-OD1 3.33Å; Y123-D137 PolarHBondContact OH-OD2 3.42Å; Y123-D137 VanDerWaalsContact OH-OD2 3.07Å
124E90.3Very high92.7Very high118 Ų118110.8 Ų110.855%0.55157%0.573SS**Hα-helixtrans-62.2-37176.1-74.5177.4170.100112.1E120 Q121 S126 K127E120-E124 WeakPolarHBondContact O-CB 3.3Å; E120-E124 VanDerWaalsContact O-CG 3.26Å; E120-E124 WeakPolarHBondContact O-CG 3.48Å; E120-E124 PolarHBondContact O-N 2.82Å; Q121-E124 PolarHBondContact O-N 3.32Å; E124-S126 PolarHBondContact O-N 2.96Å; E124-K127 WeakPolarHBondContact O-CB 3.38Å; E124-K127 PolarHBondContact O-N 2.85Å
125S95.1Very high92.8Very high101 Ų101108.8 Ų108.871%0.70656%0.559SS**Hα-helixtrans-61.5-24.3175.479.10000113Q121 E122 Y123Q121-S125 WeakPolarHBondContact O-CB 3.28Å; Q121-S125 PolarHBondContact O-N 3.47Å; E122-S125 PolarHBondContact O-N 3.49Å; E122-S125 PolarHBondContact O-OG 3.19Å; Y123-S125 VanDerWaalsContact C-N 3.31Å; Y123-S125 PolarHBondContact O-N 2.84Å
126S92.9Very high92.9Very high87 Ų87109.9 Ų109.961%0.60857%0.566SS**THydrogen-bonded Turntrans-83.9-14.6175.279.10000113.8E122 Y123 E124E122-S126 PolarHBondContact O-N 3.26Å; Y123-S126 WeakPolarHBondContact O-CB 3.34Å; Y123-S126 PolarHBondContact O-N 3.03Å; Y123-S126 VanDerWaalsContact O-N 3.08Å; Y123-S126 PolarHBondContact O-OG 3.4Å; E124-S126 PolarHBondContact O-N 2.96Å
127K91.5Very high93Very high71 Ų71108.3 Ų108.331%0.30956%0.558SS.*SBendtrans-88.6153.6-176.7-65.2178.8-164.9-175.60111.9E124 D137E124-K127 WeakPolarHBondContact O-CB 3.38Å; E124-K127 PolarHBondContact O-N 2.85Å; K127-D137 VanDerWaalsContact CE-OD2 3.28Å; K127-D137 WeakPolarHBondContact CE-OD2 3.36Å; K127-D137 IonicContact NZ-OD2 2.71Å; K127-D137 PolarHBondContact NZ-OD2 2.93Å
128P93.4Very high92.9Very high101 Ų101104.7 Ų104.766%0.65655%0.545SS*.  trans-68.1154.5168.630.7-35.3000111.2A130P128-A130 VanDerWaalsContact C-N 3.33Å; P128-A130 PolarHBondContact O-N 3.24Å
129L91Very high92.8Very high186 Ų186102.7 Ų102.797%0.97454%0.537SS*.SBendtrans-60-37.3-177.1178.662.5000113.8
130A93.2Very high92.9Very high48 Ų48102.8 Ų102.840%0.39754%0.539SS..SBendtrans-102.7137.7-17800000111.3P128 Y132P128-A130 VanDerWaalsContact C-N 3.33Å; P128-A130 PolarHBondContact O-N 3.24Å; A130-Y132 HydrophobicContact CB-CE2 4.35Å
131R91.1Very high92.9Very high163 Ų163102.3 Ų102.362%0.61554%0.536SS*.PPolyproline II helixtrans-85.5126.3171.3-55.5-174.383.2163.46.4109.3D135R131-D135 IonicContact CZ-OD2 2.75Å; R131-D135 IonicContact NE-OD2 3.41Å; R131-D135 PolarHBondContact NE-OD2 2.95Å; R131-D135 IonicContact NH2-OD2 3.3Å
132Y93Very high92.8Very high154 Ų154102.1 Ų102.160%0.60454%0.538SS*.PPolyproline II helixtrans-102.6164.3177.7-69.2-76000111.5A130 S134 D135A130-Y132 HydrophobicContact CB-CE2 4.35Å; Y132-S134 PolarHBondContact O-N 2.65Å; Y132-S134 VanDerWaalsContact O-N 3.14Å; Y132-D135 WeakPolarHBondContact O-CB 3.17Å; Y132-D135 PolarHBondContact O-N 3.07Å
133A93.3Very high92.6Very high99 Ų99103.8 Ų103.882%0.81854%0.543SS*.THydrogen-bonded Turntrans-60.6-21174.700000113.5
134S92.4Very high92.5Very high104 Ų104102 Ų10273%0.72755%0.548SS*.THydrogen-bonded Turntrans-91.76.1175.453.80000114.3Y132 K136Y132-S134 PolarHBondContact O-N 2.65Å; Y132-S134 VanDerWaalsContact O-N 3.14Å; S134-K136 PolarHBondContact O-N 2.99Å
135D93Very high92.6Very high38 Ų38100.5 Ų100.520%0.20354%0.541CS..  trans-65.6125.9179.6-177.218.3000111.3R131 Y132 L138 T139R131-D135 IonicContact CZ-OD2 2.75Å; R131-D135 IonicContact NE-OD2 3.41Å; R131-D135 PolarHBondContact NE-OD2 2.95Å; R131-D135 IonicContact NH2-OD2 3.3Å; Y132-D135 WeakPolarHBondContact O-CB 3.17Å; Y132-D135 PolarHBondContact O-N 3.07Å; D135-L138 HydrophobicContact CB-CB 4.02Å; D135-L138 PolarHBondContact O-N 3.42Å; D135-T139 WeakPolarHBondContact O-CG2 3.23Å; D135-T139 PolarHBondContact O-N 3.14Å; D135-T139 VanDerWaalsContact O-N 3.1Å; D135-T139 PolarHBondContact O-OG1 3.47Å
136K92.1Very high92.4Very high156 Ų156100.2 Ų100.268%0.67853%0.53SS*.Hα-helixtrans-64.2-47.2-175.1-67.5179.8-178.7176.60110.8S134 L138 T139 E140S134-K136 PolarHBondContact O-N 2.99Å; K136-L138 VanDerWaalsContact C-N 3.3Å; K136-L138 PolarHBondContact O-N 2.81Å; K136-T139 PolarHBondContact O-N 2.68Å; K136-T139 VanDerWaalsContact O-N 3.07Å; K136-T139 PolarHBondContact O-OG1 3.07Å; K136-E140 WeakPolarHBondContact O-CG 3.38Å; K136-E140 PolarHBondContact O-N 2.71Å
137D92.6Very high92.3Very high33 Ų33101.8 Ų101.818%0.17653%0.528CS..Hα-helixtrans-60.2-41.6-178.8-6211.7000111.6Y123 K127 E140 H141Y123-D137 WeakPolarHBondContact CE1-OD2 3.42Å; Y123-D137 PolarHBondContact OH-OD1 3.33Å; Y123-D137 PolarHBondContact OH-OD2 3.42Å; Y123-D137 VanDerWaalsContact OH-OD2 3.07Å; K127-D137 VanDerWaalsContact CE-OD2 3.28Å; K127-D137 WeakPolarHBondContact CE-OD2 3.36Å; K127-D137 IonicContact NZ-OD2 2.71Å; K127-D137 PolarHBondContact NZ-OD2 2.93Å; D137-E140 PolarHBondContact O-N 3.15Å; D137-H141 WeakPolarHBondContact O-CB 3.46Å; D137-H141 PolarHBondContact O-N 3.2Å
138L91.6Very high92.4Very high53 Ų53103.2 Ų103.228%0.27755%0.547SS..Hα-helixtrans-63-45176.5179.562000110.6D135 K136 E140 H141 L142D135-L138 HydrophobicContact CB-CB 4.02Å; D135-L138 PolarHBondContact O-N 3.42Å; K136-L138 VanDerWaalsContact C-N 3.3Å; K136-L138 PolarHBondContact O-N 2.81Å; L138-E140 PolarHBondContact O-N 2.94Å; L138-H141 PolarHBondContact O-N 3Å; L138-L142 HydrophobicContact CD1-CD1 4.23Å; L138-L142 HydrophobicContact CD1-CG 4.31Å; L138-L142 HydrophobicContact CG-CD1 4.15Å; L138-L142 VanDerWaalsContact O-CG 3.32Å; L138-L142 WeakPolarHBondContact O-CG 3.38Å; L138-L142 PolarHBondContact O-N 3.27Å
139T94Very high92.4Very high57 Ų57106.4 Ų106.435%0.3555%0.553SS.*Hα-helixtrans-65.3-38178.662.60000112.5D135 K136 K143D135-T139 WeakPolarHBondContact O-CG2 3.23Å; D135-T139 PolarHBondContact O-N 3.14Å; D135-T139 VanDerWaalsContact O-N 3.1Å; D135-T139 PolarHBondContact O-OG1 3.47Å; K136-T139 PolarHBondContact O-N 2.68Å; K136-T139 VanDerWaalsContact O-N 3.07Å; K136-T139 PolarHBondContact O-OG1 3.07Å; T139-K143 WeakPolarHBondContact O-CB 3.29Å; T139-K143 WeakPolarHBondContact O-CD 3.31Å; T139-K143 WeakPolarHBondContact O-CG 3.41Å; T139-K143 PolarHBondContact O-N 3.32Å
140E94.9Very high92.5Very high126 Ų126100.8 Ų100.859%0.58952%0.524SS*.Hα-helixtrans-66.6-44.2176.1-73177.9-178.100111.5K136 D137 L138 L142 K143 S144K136-E140 WeakPolarHBondContact O-CG 3.38Å; K136-E140 PolarHBondContact O-N 2.71Å; D137-E140 PolarHBondContact O-N 3.15Å; L138-E140 PolarHBondContact O-N 2.94Å; E140-L142 PolarHBondContact O-N 3.16Å; E140-K143 PolarHBondContact O-N 3.1Å; E140-S144 PolarHBondContact O-N 2.88Å
141H92.7Very high92.6Very high99 Ų99104.6 Ų104.646%0.45855%0.545SS..Hα-helixtrans-58.9-48.7175.2179.464.9000111.6D137 L138 K143 S144 Q145D137-H141 WeakPolarHBondContact O-CB 3.46Å; D137-H141 PolarHBondContact O-N 3.2Å; L138-H141 PolarHBondContact O-N 3Å; H141-K143 VanDerWaalsContact C-N 3.34Å; H141-K143 PolarHBondContact O-N 3.44Å; H141-S144 WeakPolarHBondContact O-CB 3.32Å; H141-S144 PolarHBondContact O-N 3.29Å; H141-S144 VanDerWaalsContact O-N 3.11Å; H141-S144 PolarHBondContact O-OG 3.33Å; H141-Q145 PolarHBondContact NE2-NE2 3.34Å; H141-Q145 PolarHBondContact O-N 2.68Å
142L93.3Very high92.7Very high95 Ų95101.3 Ų101.350%0.49754%0.537SS..Hα-helixtrans-64.1-37.7178.8-69.6174.5000112.4L138 E140 S144 Q145L138-L142 HydrophobicContact CD1-CD1 4.23Å; L138-L142 HydrophobicContact CD1-CG 4.31Å; L138-L142 HydrophobicContact CG-CD1 4.15Å; L138-L142 VanDerWaalsContact O-CG 3.32Å; L138-L142 WeakPolarHBondContact O-CG 3.38Å; L138-L142 PolarHBondContact O-N 3.27Å; E140-L142 PolarHBondContact O-N 3.16Å; L142-S144 PolarHBondContact O-N 2.94Å; L142-Q145 PolarHBondContact O-N 3.03Å
143K91.8Very high92.8Very high175 Ų17594.5 Ų94.576%0.76151%0.513SS*.Hα-helixtrans-67-26.6174.9-73.3166.475.51780112.7T139 E140 H141T139-K143 WeakPolarHBondContact O-CB 3.29Å; T139-K143 WeakPolarHBondContact O-CD 3.31Å; T139-K143 WeakPolarHBondContact O-CG 3.41Å; T139-K143 PolarHBondContact O-N 3.32Å; E140-K143 PolarHBondContact O-N 3.1Å; H141-K143 VanDerWaalsContact C-N 3.34Å; H141-K143 PolarHBondContact O-N 3.44Å
144S90.3Very high92.8Very high78 Ų7897.6 Ų97.655%0.54551%0.51SS..Hα-helixtrans-74.6-24.6177.481.60000113.4E140 H141 L142 I146E140-S144 PolarHBondContact O-N 2.88Å; H141-S144 WeakPolarHBondContact O-CB 3.32Å; H141-S144 PolarHBondContact O-N 3.29Å; H141-S144 VanDerWaalsContact O-N 3.11Å; H141-S144 PolarHBondContact O-OG 3.33Å; L142-S144 PolarHBondContact O-N 2.94Å; S144-I146 PolarHBondContact O-N 2.89Å
145Q91.1Very high92.9Very high87 Ų8799 Ų9941%0.40750%0.5SS..  trans-75.6105.1-177.2-68.1-176-2.500111.8H141 L142 H147H141-Q145 PolarHBondContact NE2-NE2 3.34Å; H141-Q145 PolarHBondContact O-N 2.68Å; L142-Q145 PolarHBondContact O-N 3.03Å; Q145-H147 PolarHBondContact O-ND1 3.49Å
146I90.9Very high93Very high95 Ų95100.6 Ų100.649%0.48751%0.506SS..  trans-82.3118.9173.2-58.1167.2000108.6S144 A153 F156S144-I146 PolarHBondContact O-N 2.89Å; I146-A153 HydrophobicContact CG2-CB 3.78Å; I146-F156 HydrophobicContact CD1-CB 3.79Å; I146-F156 HydrophobicContact CG1-CB 4.45Å
147H92.1Very high93Very high120 Ų12097.4 Ų97.456%0.55650%0.499SS*.  trans-87.3142.6175.9-70.166.3000110.4Q145 E149 A153Q145-H147 PolarHBondContact O-ND1 3.49Å; H147-E149 VanDerWaalsContact C-N 3.28Å; H147-E149 PolarHBondContact O-N 3.33Å; H147-A153 WeakPolarHBondContact O-CB 3.32Å
148S92.5Very high93Very high101 Ų101105.3 Ų105.371%0.70653%0.526SS*.THydrogen-bonded Turntrans-64.9-31.9178.849.50000113.3D150S148-D150 VanDerWaalsContact C-N 3.32Å; S148-D150 PolarHBondContact O-N 3.43Å
149E93Very high93.1Very high167 Ų167108.3 Ų108.378%0.7854%0.537SS*.THydrogen-bonded Turntrans-80.5-9-173.7-51.4-47.6133.100114H147 P151H147-E149 VanDerWaalsContact C-N 3.28Å; H147-E149 PolarHBondContact O-N 3.33Å; E149-P151 WeakPolarHBondContact O-CD 3.43Å
150D94Very high93Very high69 Ų69108.5 Ų108.537%0.36954%0.541SS..SBendtrans-76.7124.8176.5-178.7-5.8000109.8S148 M152 A153S148-D150 VanDerWaalsContact C-N 3.32Å; S148-D150 PolarHBondContact O-N 3.43Å; D150-M152 PolarHBondContact O-N 2.9Å; D150-M152 WeakPolarHBondContact OD1-CB 3.13Å; D150-M152 PolarHBondContact OD1-N 3.45Å; D150-A153 HydrophobicContact CB-CB 4.42Å; D150-A153 WeakPolarHBondContact O-CB 3.34Å; D150-A153 PolarHBondContact O-N 3.39Å
151P95.3Very high92.9Very high128 Ų128105 Ų10583%0.83153%0.533SS*.THydrogen-bonded Turntrans-50.5-28.5172-27.735.1000114.1E149E149-P151 WeakPolarHBondContact O-CD 3.43Å
152M93.5Very high92.9Very high94 Ų94107.8 Ų107.846%0.46354%0.544SS..THydrogen-bonded Turntrans-83.3-9.5179.3-165.9164.242.400114D150 Q154 Y155 F156D150-M152 PolarHBondContact O-N 2.9Å; D150-M152 WeakPolarHBondContact OD1-CB 3.13Å; D150-M152 PolarHBondContact OD1-N 3.45Å; M152-Q154 VanDerWaalsContact C-N 3.29Å; M152-Q154 PolarHBondContact O-N 3.2Å; M152-Y155 HydrophobicContact CG-CD1 4.27Å; M152-Y155 WeakPolarHBondContact O-CB 3.34Å; M152-Y155 PolarHBondContact O-N 3.13Å; M152-F156 HydrophobicContact CB-CE2 4.18Å; M152-F156 HydrophobicContact CE-CE2 3.7Å; M152-F156 HydrophobicContact CE-CZ 3.82Å; M152-F156 HydrophobicContact CG-CD2 4.01Å; M152-F156 HydrophobicContact CG-CE2 3.56Å; M152-F156 HydrophobicContact CG-CZ 4.06Å; M152-F156 WeakPolarHBondContact O-CD2 3.47Å; M152-F156 PolarHBondContact O-N 3.43Å; M152-F156 HydrophobicContact SD-CE2 3.91Å; M152-F156 HydrophobicContact SD-CZ 3.87Å
153A94.9Very high92.8Very high10 Ų10109.9 Ų109.98%0.08355%0.549CS..Hα-helixtrans-55.9-42.8-178.700000112.6I146 H147 D150 Y155 F156 V157I146-A153 HydrophobicContact CG2-CB 3.78Å; H147-A153 WeakPolarHBondContact O-CB 3.32Å; D150-A153 HydrophobicContact CB-CB 4.42Å; D150-A153 WeakPolarHBondContact O-CB 3.34Å; D150-A153 PolarHBondContact O-N 3.39Å; A153-Y155 VanDerWaalsContact C-N 3.27Å; A153-Y155 PolarHBondContact O-N 3.14Å; A153-F156 PolarHBondContact O-N 2.72Å; A153-V157 WeakPolarHBondContact O-CG2 3.17Å; A153-V157 PolarHBondContact O-N 3.21Å
154Q94Very high92.5Very high165 Ų165106.6 Ų106.677%0.77154%0.535SS*.Hα-helixtrans-60.3-37.7177.3-64.3-168.2-1.600112.4M152 R158M152-Q154 VanDerWaalsContact C-N 3.29Å; M152-Q154 PolarHBondContact O-N 3.2Å; Q154-R158 WeakPolarHBondContact O-CB 3.48Å; Q154-R158 PolarHBondContact O-N 3.49Å
155Y94.3Very high92.2Very high132 Ų132109 Ų10952%0.51854%0.538SS..Hα-helixtrans-64.2-44.1177.4173.4-95.3000111.1M152 A153 R158 K159M152-Y155 HydrophobicContact CG-CD1 4.27Å; M152-Y155 WeakPolarHBondContact O-CB 3.34Å; M152-Y155 PolarHBondContact O-N 3.13Å; A153-Y155 VanDerWaalsContact C-N 3.27Å; A153-Y155 PolarHBondContact O-N 3.14Å; Y155-R158 PolarHBondContact O-N 3.41Å; Y155-K159 HydrophobicContact CE1-CD 3.91Å; Y155-K159 VanDerWaalsContact O-CB 3.31Å; Y155-K159 WeakPolarHBondContact O-CB 3.43Å; Y155-K159 PolarHBondContact O-N 3.07Å
156F93.3Very high92Very high73 Ų73111.3 Ų111.332%0.3255%0.546SS..Hα-helixtrans-66.1-41.2178.1-68.5-61.8000112.9I146 M152 A153 R158 K159 S160I146-F156 HydrophobicContact CD1-CB 3.79Å; I146-F156 HydrophobicContact CG1-CB 4.45Å; M152-F156 HydrophobicContact CB-CE2 4.18Å; M152-F156 HydrophobicContact CE-CE2 3.7Å; M152-F156 HydrophobicContact CE-CZ 3.82Å; M152-F156 HydrophobicContact CG-CD2 4.01Å; M152-F156 HydrophobicContact CG-CE2 3.56Å; M152-F156 HydrophobicContact CG-CZ 4.06Å; M152-F156 WeakPolarHBondContact O-CD2 3.47Å; M152-F156 PolarHBondContact O-N 3.43Å; M152-F156 HydrophobicContact SD-CE2 3.91Å; M152-F156 HydrophobicContact SD-CZ 3.87Å; A153-F156 PolarHBondContact O-N 2.72Å; F156-R158 VanDerWaalsContact C-N 3.34Å; F156-R158 PolarHBondContact O-N 3.41Å; F156-K159 PolarHBondContact O-N 2.72Å; F156-S160 WeakPolarHBondContact O-CB 3.45Å; F156-S160 PolarHBondContact O-N 2.97Å; F156-S160 PolarHBondContact O-OG 3.43Å
157V92.1Very high91.6Very high89 Ų89111.1 Ų111.154%0.53954%0.542SS..Hα-helixtrans-59.3-45.2173.6173.60000110.9A153 K159 S160 A161A153-V157 WeakPolarHBondContact O-CG2 3.17Å; A153-V157 PolarHBondContact O-N 3.21Å; V157-K159 PolarHBondContact O-N 3.12Å; V157-S160 PolarHBondContact O-N 2.97Å; V157-S160 PolarHBondContact O-OG 2.98Å; V157-A161 WeakPolarHBondContact O-CB 3.3Å; V157-A161 PolarHBondContact O-N 3.48Å
158R94Very high91Very high198 Ų198110.5 Ų110.575%0.74754%0.538SS*.Hα-helixtrans-64.1-40.7176.5-175.6177.8177-179.8-0.4111.9Q154 Y155 F156 K162Q154-R158 WeakPolarHBondContact O-CB 3.48Å; Q154-R158 PolarHBondContact O-N 3.49Å; Y155-R158 PolarHBondContact O-N 3.41Å; F156-R158 VanDerWaalsContact C-N 3.34Å; F156-R158 PolarHBondContact O-N 3.41Å; R158-K162 WeakPolarHBondContact O-CB 3.39Å; R158-K162 PolarHBondContact O-N 3.09Å
159K94Very high90.4Very high117 Ų117108.4 Ų108.451%0.50952%0.523SS..Hα-helixtrans-66.5-44.1179.4-172.1176.9179.7179.80111.4Y155 F156 V157 K162 K163Y155-K159 HydrophobicContact CE1-CD 3.91Å; Y155-K159 VanDerWaalsContact O-CB 3.31Å; Y155-K159 WeakPolarHBondContact O-CB 3.43Å; Y155-K159 PolarHBondContact O-N 3.07Å; F156-K159 PolarHBondContact O-N 2.72Å; V157-K159 PolarHBondContact O-N 3.12Å; K159-K162 PolarHBondContact O-N 3.17Å; K159-K163 PolarHBondContact O-N 2.64Å
160S91.5Very high89.6Confident61 Ų61105.4 Ų105.443%0.42751%0.509SS..Hα-helixtrans-65.8-41.9177.369.80000111.3F156 V157 K162 K163 K164F156-S160 WeakPolarHBondContact O-CB 3.45Å; F156-S160 PolarHBondContact O-N 2.97Å; F156-S160 PolarHBondContact O-OG 3.43Å; V157-S160 PolarHBondContact O-N 2.97Å; V157-S160 PolarHBondContact O-OG 2.98Å; S160-K162 PolarHBondContact O-N 3.22Å; S160-K163 PolarHBondContact O-N 3.11Å; S160-K164 PolarHBondContact O-N 3.08Å
161A92Very high88.5Confident51 Ų51107.9 Ų107.942%0.42152%0.516SS..Hα-helixtrans-59.7-44.7172.700000112.1V157 K164 Q165V157-A161 WeakPolarHBondContact O-CB 3.3Å; V157-A161 PolarHBondContact O-N 3.48Å; A161-K164 PolarHBondContact O-N 3.5Å; A161-Q165 WeakPolarHBondContact O-CG 3.48Å; A161-Q165 PolarHBondContact O-N 3.29Å
162K93.8Very high87.2Confident159 Ų159109.4 Ų109.469%0.69151%0.51SS*.Hα-helixtrans-63.6-40.2175.9-170.3172.8-177.5176.10111.9R158 K159 S160 Q165 K166R158-K162 WeakPolarHBondContact O-CB 3.39Å; R158-K162 PolarHBondContact O-N 3.09Å; K159-K162 PolarHBondContact O-N 3.17Å; S160-K162 PolarHBondContact O-N 3.22Å; K162-Q165 PolarHBondContact O-N 3.4Å; K162-K166 PolarHBondContact O-N 2.75Å
163K90.8Very high86.1Confident138 Ų138111.7 Ų111.760%0.652%0.517SS*.Hα-helixtrans-61.4-45.3174.4-168.6179-180-1760110.8K159 S160 Q165 K166 K167K159-K163 PolarHBondContact O-N 2.64Å; S160-K163 PolarHBondContact O-N 3.11Å; K163-Q165 PolarHBondContact O-N 2.99Å; K163-K166 PolarHBondContact O-N 3.37Å; K163-K167 PolarHBondContact O-N 2.91Å
164K84.7Confident84.8Confident106 Ų106119.3 Ų119.346%0.46155%0.548SS..Hα-helixtrans-60.2-42.8175.2-73-169.6-178.2-163.50112.3S160 A161 K167 K168 E200S160-K164 PolarHBondContact O-N 3.08Å; A161-K164 PolarHBondContact O-N 3.5Å; K164-K167 PolarHBondContact O-N 3.3Å; K164-K168 WeakPolarHBondContact O-CG 3.37Å; K164-K168 PolarHBondContact O-N 2.89Å; K164-E200 IonicContact NZ-OE1 3.96Å; K164-E200 PolarHBondContact NZ-OE1 3.32Å
165Q84.8Confident83.1Confident130 Ų130117.5 Ų117.561%0.60754%0.54SS*.Hα-helixtrans-62.7-42.9176.1-69-65.2-18.100112.2A161 K162 K163 K168 S169A161-Q165 WeakPolarHBondContact O-CG 3.48Å; A161-Q165 PolarHBondContact O-N 3.29Å; K162-Q165 PolarHBondContact O-N 3.4Å; K163-Q165 PolarHBondContact O-N 2.99Å; Q165-K168 PolarHBondContact O-N 3.44Å; Q165-S169 PolarHBondContact O-N 3.15Å
166K87.6Confident81.6Confident134 Ų134119.3 Ų119.358%0.58355%0.55SS**Hα-helixtrans-64.9-43.9176.3-166.9-179.6176-174.20111.7K162 K163 K168 S169 H170K162-K166 PolarHBondContact O-N 2.75Å; K163-K166 PolarHBondContact O-N 3.37Å; K166-K168 PolarHBondContact O-N 3Å; K166-S169 PolarHBondContact O-N 2.9Å; K166-S169 PolarHBondContact O-OG 2.96Å; K166-H170 WeakPolarHBondContact CE-NE2 3.24Å; K166-H170 PolarHBondContact O-CD2 3.48Å; K166-H170 PolarHBondContact O-N 3.22Å
167K81.5Confident79.9Confident92 Ų92122.8 Ų122.840%0.457%0.567SS.*Hα-helixtrans-59.2-44174.4-75.8-160.6170.7-158.30111.2K163 K164 S169 H170 K171 D195 E197K163-K167 PolarHBondContact O-N 2.91Å; K164-K167 PolarHBondContact O-N 3.3Å; K167-S169 PolarHBondContact O-N 2.94Å; K167-H170 PolarHBondContact O-N 3.3Å; K167-K171 PolarHBondContact O-N 3.4Å; K167-D195 IonicContact NZ-OD1 2.65Å; K167-D195 PolarHBondContact NZ-OD1 2.74Å; K167-D195 VanDerWaalsContact NZ-OD1 3.12Å; K167-E197 IonicContact NZ-OE1 3.84Å
168K78.9Confident78.3Confident107 Ų107122.7 Ų122.747%0.46557%0.57SS.*Hα-helixtrans-61.6-39.9176.6-74.3178.9-177.5179.50113.2K164 Q165 K166 K172K164-K168 WeakPolarHBondContact O-CG 3.37Å; K164-K168 PolarHBondContact O-N 2.89Å; Q165-K168 PolarHBondContact O-N 3.44Å; K166-K168 PolarHBondContact O-N 3Å; K168-K172 PolarHBondContact O-N 3.48Å; K168-K172 VanDerWaalsContact O-N 3.14Å
169S80Confident76.4Confident56 Ų56118.6 Ų118.639%0.39257%0.572SS.*Hα-helixtrans-70-38.7178.169.70000112.3Q165 K166 K167 K172 K173Q165-S169 PolarHBondContact O-N 3.15Å; K166-S169 PolarHBondContact O-N 2.9Å; K166-S169 PolarHBondContact O-OG 2.96Å; K167-S169 PolarHBondContact O-N 2.94Å; S169-K172 PolarHBondContact O-N 3.15Å; S169-K173 PolarHBondContact O-N 2.83Å; S169-K173 VanDerWaalsContact O-N 3.13Å
170H76.5Confident73.9Confident104 Ų104120.9 Ų120.948%0.48158%0.584SS.*Hα-helixtrans-63.2-42.7172.9-77.5-70.1000112.4K166 K167 K172 K173 K174K166-H170 WeakPolarHBondContact CE-NE2 3.24Å; K166-H170 PolarHBondContact O-CD2 3.48Å; K166-H170 PolarHBondContact O-N 3.22Å; K167-H170 PolarHBondContact O-N 3.3Å; H170-K172 PolarHBondContact O-N 3.46Å; H170-K173 PolarHBondContact O-N 2.84Å; H170-K174 PolarHBondContact O-N 2.89Å
171K70.5Confident71.9Confident122 Ų122122.9 Ų122.953%0.5360%0.598SS.*Hα-helixtrans-61.4-42.3176.6-167.5166.7-175.5165.50112K167 K173 K174 H175K167-K171 PolarHBondContact O-N 3.4Å; K171-K173 VanDerWaalsContact C-N 3.33Å; K171-K173 PolarHBondContact O-N 3.19Å; K171-K174 PolarHBondContact O-N 3.32Å; K171-H175 PolarHBondContact O-CD2 3.16Å; K171-H175 PolarHBondContact O-N 3.46Å
172K69.6Low69.4Low160 Ų160127.3 Ų127.370%0.69662%0.615SS**Hα-helixtrans-62.1-36.1174.5-77.4-176.6177.9-179.50113.2K168 S169 H170K168-K172 PolarHBondContact O-N 3.48Å; K168-K172 VanDerWaalsContact O-N 3.14Å; S169-K172 PolarHBondContact O-N 3.15Å; H170-K172 PolarHBondContact O-N 3.46Å
173K70.1Confident67Low141 Ų141127.3 Ų127.361%0.61362%0.621SS**Hα-helixtrans-70-41.7175.5-74.8-176.5178.6-179.10111.9S169 H170 K171 H175 K176 H177S169-K173 PolarHBondContact O-N 2.83Å; S169-K173 VanDerWaalsContact O-N 3.13Å; H170-K173 PolarHBondContact O-N 2.84Å; K171-K173 VanDerWaalsContact C-N 3.33Å; K171-K173 PolarHBondContact O-N 3.19Å; K173-H175 PolarHBondContact O-N 2.95Å; K173-K176 PolarHBondContact O-N 2.95Å; K173-K176 VanDerWaalsContact O-N 3.14Å; K173-H177 PolarHBondContact O-CD2 3.44Å
174K66.1Low64.4Low171 Ų171124.7 Ų124.774%0.74362%0.62SS**Hα-helixtrans-57.4-47.6177-91.2-172.1173.1-179.60112.4H170 K171 K176 H177 S178H170-K174 PolarHBondContact O-N 2.89Å; K171-K174 PolarHBondContact O-N 3.32Å; K174-K176 PolarHBondContact O-N 3.18Å; K174-H177 PolarHBondContact O-N 3.09Å; K174-S178 PolarHBondContact O-N 2.89Å
175H59.9Low62.1Low127 Ų127128 Ų12859%0.58864%0.637SS**Hα-helixtrans-65.7-17.5179.1-70.1-63.5000114.4K171 K173 S178K171-H175 PolarHBondContact O-CD2 3.16Å; K171-H175 PolarHBondContact O-N 3.46Å; K173-H175 PolarHBondContact O-N 2.95Å; H175-S178 PolarHBondContact O-OG 3.46Å
176K61.6Low59.9Low170 Ų170127.1 Ų127.174%0.73965%0.645SS**Hα-helixtrans-82.3-23.9175.4-77.7-171.8174.7-172.70113.9K173 K174K173-K176 PolarHBondContact O-N 2.95Å; K173-K176 VanDerWaalsContact O-N 3.14Å; K174-K176 PolarHBondContact O-N 3.18Å
177H58.2Low57.8Low146 Ų146125.7 Ų125.768%0.67665%0.652SS**Hα-helixtrans-101-6.1-179-68.2-70.6000113.4K173 K174 S179K173-H177 PolarHBondContact O-CD2 3.44Å; K174-H177 PolarHBondContact O-N 3.09Å; H177-S179 VanDerWaalsContact C-N 3.28Å; H177-S179 PolarHBondContact O-N 3.12Å
178S57.4Low55.8Low86 Ų86129.7 Ų129.760%0.60167%0.672SS**THydrogen-bonded Turntrans-80.80.7-17869.10000114.8K174 H175K174-S178 PolarHBondContact O-N 2.89Å; H175-S178 PolarHBondContact O-OG 3.46Å
179S54.2Low53.9Low113 Ų113129.2 Ų129.279%0.7968%0.682SS**THydrogen-bonded Turntrans-89.4-3.6177.461.70000113.9H177H177-S179 VanDerWaalsContact C-N 3.28Å; H177-S179 PolarHBondContact O-N 3.12Å
180H42.8Very low51.7Low165 Ų165133.9 Ų133.976%0.76470%0.702SS**SBendtrans-15590175.6-161.316.8000111.1
181S48.4Very low49.9Very low103 Ų103135.4 Ų135.472%0.7271%0.714SS**  trans-158.8100.1158.362.50000110.2
182D39.7Very low48.3Very low144 Ų144135.5 Ų135.577%0.7773%0.73SS**  trans-72.5143.1150.9-76.2-51.7000109.1
183I43.7Very low46.7Very low158 Ų158129.7 Ų129.781%0.8172%0.716SS**  trans73.6129.6147.4-132.780.3000121.4
184S35.6Very low45.3Very low84 Ų84129.9 Ų129.959%0.58772%0.724SS**  trans54.2108.7151.968.40000120.5
185H36Very low44.2Very low176 Ų176126.3 Ų126.382%0.81571%0.713SS**  -177.9134.187.1-101.9-75.5000109.7S187H185-S187 PolarHBondContact O-N 2.88Å
186S40Very low43.4Very low111 Ų111127 Ų12778%0.77672%0.72SS**  trans-64.4109.6169.154.70000109.7
187S42.7Very low42.6Very low104 Ų104124 Ų12473%0.72771%0.71SS**  trans-109.4110.9158.4173.40000106.6H185 S189H185-S187 PolarHBondContact O-N 2.88Å; S187-S189 PolarHBondContact O-N 2.99Å; S187-S189 VanDerWaalsContact O-N 3.15Å
188Q40.6Very low42Very low175 Ų175125.2 Ų125.282%0.81872%0.715SS**  trans-68.499.1167.1-113.6145.9-35.800107.4
189S38.7Very low41.6Very low98 Ų98128.4 Ų128.469%0.68572%0.721SS**  trans-101100.6159.9580000107S187 D191S187-S189 PolarHBondContact O-N 2.99Å; S187-S189 VanDerWaalsContact O-N 3.15Å; S189-D191 PolarHBondContact O-N 3.18Å
190D33.8Very low41.4Very low153 Ų153127 Ų12782%0.81870%0.702SS**  trans-70.476.6162.5-64.9-43.9000107.6
191D37.6Very low42Very low137 Ų137123.8 Ų123.873%0.73369%0.69SS**  trans-98.888.9161.6-170.453.8000105.7S189 G193S189-D191 PolarHBondContact O-N 3.18Å; D191-G193 PolarHBondContact O-N 3.06Å
192S36.9Very low42.8Very low123 Ų123123.6 Ų123.686%0.8669%0.689SS**  trans-68.864.1164.754.80000108.5
193G36.3Very low44.5Very low39 Ų39124.6 Ų124.640%0.40268%0.682SS.*  trans-77.7114.8163.800000106.5D191 D195D191-G193 PolarHBondContact O-N 3.06Å; G193-D195 PolarHBondContact O-N 3.3Å
194D41.4Very low46.6Very low144 Ų144120.8 Ų120.877%0.7767%0.667SS**  trans-61.272.8160.8-147-63.6000107.7D196D194-D196 PolarHBondContact O-N 2.74Å
195D43.8Very low49Very low97 Ų97124 Ų12452%0.51967%0.666SS.*  trans-8367.5166.4-103.1-36.8000104.4K167 G193 E197K167-D195 IonicContact NZ-OD1 2.65Å; K167-D195 PolarHBondContact NZ-OD1 2.74Å; K167-D195 VanDerWaalsContact NZ-OD1 3.12Å; G193-D195 PolarHBondContact O-N 3.3Å; D195-E197 HydrophobicContact CB-CG 3.89Å; D195-E197 PolarHBondContact O-N 3.11Å
196D42.9Very low51.6Low140 Ų140116.8 Ų116.875%0.74963%0.632SS**  trans-62.372.2147.5-91.1-25.3000106.2D194 E198D194-D196 PolarHBondContact O-N 2.74Å; D196-E198 VanDerWaalsContact C-N 3.32Å; D196-E198 PolarHBondContact O-N 3.19Å
197E43.9Very low53.8Low109 Ų109120.9 Ų120.951%0.50964%0.636SS.*  trans-66.199.7164.9-73-168.7149.100104.7K167 D195 E199K167-E197 IonicContact NZ-OE1 3.84Å; D195-E197 HydrophobicContact CB-CG 3.89Å; D195-E197 PolarHBondContact O-N 3.11Å; E197-E199 PolarHBondContact O-N 3.5Å
198E45.5Very low56Low171 Ų171117.9 Ų117.980%0.79962%0.621SS**  trans-51.992.1136.8-71.1-161-161.600105.6D196 E200D196-E198 VanDerWaalsContact C-N 3.32Å; D196-E198 PolarHBondContact O-N 3.19Å; E198-E200 PolarHBondContact O-N 3.35Å
199E49.9Very low58.4Low153 Ų153114 Ų11472%0.71561%0.612SS**  trans-54.185.8159.1-85.9-136178.800104.4E197 D201E197-E199 PolarHBondContact O-N 3.5Å; E199-D201 PolarHBondContact O-N 2.68Å
200E50.1Low60.7Low84 Ų84118.3 Ų118.339%0.39362%0.621SS.*  trans-55.1104.1163.9-85.8-165.7-176.500103.5K164 E198 S202K164-E200 IonicContact NZ-OE1 3.96Å; K164-E200 PolarHBondContact NZ-OE1 3.32Å; E198-E200 PolarHBondContact O-N 3.35Å; E200-S202 PolarHBondContact O-N 3.45Å; E200-S202 VanDerWaalsContact O-N 3.11Å
201D55.5Low63.4Low96 Ų96113 Ų11351%0.51360%0.595SS.*  trans-28.8119.6-176.9-80.6-57.5000108.1E199 R203E199-D201 PolarHBondContact O-N 2.68Å; D201-R203 HydrophobicContact CB-CB 4.31Å; D201-R203 CarbonylContact O-C 3.48Å; D201-R203 PolarHBondContact O-N 3.22Å
202S64.6Low65.9Low99 Ų99109.8 Ų109.869%0.69258%0.582SS**SBendtrans-51.1-12.7175.654.80000113.2E200E200-S202 PolarHBondContact O-N 3.45Å; E200-S202 VanDerWaalsContact O-N 3.11Å
203R75.8Confident68.5Low165 Ų165109.2 Ų109.262%0.62358%0.575SS**SBendtrans-77.8124173.3-58.2173.7-175.1-157.30.1110.1D201D201-R203 HydrophobicContact CB-CB 4.31Å; D201-R203 CarbonylContact O-C 3.48Å; D201-R203 PolarHBondContact O-N 3.22Å
204P86.5Confident71.2Confident78 Ų78110 Ų11051%0.50657%0.57SS.*PPolyproline II helixtrans-54.7150.7176.621-30.2000111.2F222P204-F222 HydrophobicContact CB-CB 4.15Å; P204-F222 HydrophobicContact CB-CG 4.37Å; P204-F222 HydrophobicContact CG-CB 3.93Å; P204-F222 HydrophobicContact CG-CD1 3.95Å; P204-F222 HydrophobicContact CG-CD2 3.72Å; P204-F222 HydrophobicContact CG-CE1 4.35Å; P204-F222 HydrophobicContact CG-CE2 4.12Å; P204-F222 HydrophobicContact CG-CG 3.61Å; P204-F222 HydrophobicContact CG-CZ 4.42Å; P204-F222 VanDerWaalsContact O-CB 3.26Å; P204-F222 WeakPolarHBondContact O-CB 3.35Å
205R86.4Confident73.7Confident151 Ų151108.8 Ų108.857%0.5756%0.555SS**PPolyproline II helixtrans-89.1154.2171.8-69.3-173.7178.1-162.11.2110.8
206Y90.5Very high76Confident25 Ų25110.9 Ų110.910%0.09856%0.556CS.*PPolyproline II helixtrans-60.1145.1172.2177.5-117.2000111.5G208 P209 P220 W224 G226Y206-G208 WeakPolarHBondContact OH-CA 3.45Å; Y206-P209 WeakPolarHBondContact CE1-O 3.49Å; Y206-P209 VanDerWaalsContact OH-CD 3.32Å; Y206-P209 WeakPolarHBondContact OH-CD 3.3Å; Y206-P220 HydrophobicContact CD1-CG 3.53Å; Y206-P220 HydrophobicContact CE1-CG 4.09Å; Y206-P220 HydrophobicContact CG-CG 3.82Å; Y206-W224 HydrophobicContact CD1-CE3 4.19Å; Y206-W224 HydrophobicContact CD2-CB 4.35Å; Y206-W224 HydrophobicContact CD2-CE3 4.43Å; Y206-W224 AromaticContact CE1-CE3 3.62Å; Y206-W224 HydrophobicContact CE1-CE3 3.62Å; Y206-W224 AromaticContact CE1-CZ3 3.74Å; Y206-W224 HydrophobicContact CE1-CZ3 3.74Å; Y206-W224 HydrophobicContact CE2-CB 4.35Å; Y206-W224 AromaticContact CE2-CE3 3.96Å; Y206-W224 HydrophobicContact CE2-CE3 3.96Å; Y206-W224 WeakPolarHBondContact CE2-O 3.32Å; Y206-W224 AromaticContact CZ-CE3 3.48Å; Y206-W224 VanDerWaalsContact CZ-CE3 3.48Å; Y206-W224 AromaticContact CZ-CZ3 3.84Å; Y206-G226 WeakPolarHBondContact OH-CA 3.12Å; Y206-G226 PolarHBondContact OH-N 3.46Å
207K87.4Confident78.3Confident197 Ų197110.7 Ų110.786%0.85756%0.555SS**  trans-128.28.8-174.1-60.9-174.6-179.3179.50114
208G88.4Confident80.5Confident41 Ų41110.7 Ų110.742%0.42356%0.557SS.*SBendtrans-87-162.8-178.600000113Y206Y206-G208 WeakPolarHBondContact OH-CA 3.45Å
209P89.6Confident82.6Confident94 Ų94110.7 Ų110.761%0.6155%0.55SS**SBendtrans-57.6161.3175.126.3-37.1000112.2Y206Y206-P209 WeakPolarHBondContact CE1-O 3.49Å; Y206-P209 VanDerWaalsContact OH-CD 3.32Å; Y206-P209 WeakPolarHBondContact OH-CD 3.3Å
210E88Confident84.7Confident189 Ų189104.9 Ų104.988%0.88353%0.525SS*.PPolyproline II helixtrans-60.1125.2-179.7-66-175.6173.800110.9
211P91.2Very high86.7Confident42 Ų42103.3 Ų103.327%0.27353%0.532SS..PPolyproline II helixtrans-65.7150179.325.4-32.7000111.2P220 W224P211-P220 HydrophobicContact CB-CG 3.96Å; P211-P220 HydrophobicContact CG-CG 4.08Å; P211-W224 HydrophobicContact CB-CH2 4.01Å; P211-W224 HydrophobicContact CB-CZ3 3.6Å
212P90.1Very high88.3Confident69 Ų69103.9 Ų103.945%0.44853%0.53SS..PPolyproline II helixtrans-59.1141.8170.325.8-31.7000110N214P212-N214 PolarHBondContact O-N 3.33Å
213P91.1Very high89.7Confident111 Ų111109.2 Ų109.272%0.72154%0.535SS*.PPolyproline II helixtrans-65.8137.1-177.727-33.9000110.8
214N91.9Very high90.5Very high56 Ų56104.6 Ų104.630%0.29952%0.518SS..  trans-114.9145.9176.5176.7-13000108.9P212 Y216 N217P212-N214 PolarHBondContact O-N 3.33Å; N214-Y216 PolarHBondContact O-N 3.32Å; N214-Y216 PolarHBondContact OD1-N 3.18Å; N214-Y216 VanDerWaalsContact OD1-N 3.15Å; N214-N217 PolarHBondContact O-N 3.19Å
215R93.6Very high90.8Very high118 Ų118104.9 Ų104.945%0.44552%0.515SS..THydrogen-bonded Turntrans-45-34.6173.2-178.8172.167.6-162.6-0.2114.5
216Y93.3Very high91Very high141 Ų14198.8 Ų98.855%0.55350%0.5SS*.THydrogen-bonded Turntrans-96.73.1-176.8-58.7-70.9000114.5N214 I218N214-Y216 PolarHBondContact O-N 3.32Å; N214-Y216 PolarHBondContact OD1-N 3.18Å; N214-Y216 VanDerWaalsContact OD1-N 3.15Å; Y216-I218 HydrophobicContact CG-CD1 4.3Å; Y216-I218 PolarHBondContact O-N 3.4Å
217N91.2Very high91Very high136 Ų136101.4 Ų101.473%0.72752%0.518SS*.  trans51.324.4-176.2-60.385.6000114.1N214 W219N214-N217 PolarHBondContact O-N 3.19Å; N217-W219 PolarHBondContact O-N 3.19Å
218I90.5Very high91.1Very high108 Ų10896.8 Ų96.855%0.55450%0.502SS*.PPolyproline II helixtrans-76.6124.5-179.5-60.8166.7000108.5Y216Y216-I218 HydrophobicContact CG-CD1 4.3Å; Y216-I218 PolarHBondContact O-N 3.4Å
219W89.3Confident91.3Very high172 Ų172103 Ų10365%0.65251%0.513SS*.PPolyproline II helixtrans-70.2142.6175.8-75.962.6000111N217N217-W219 PolarHBondContact O-N 3.19Å
220P94.3Very high91.4Very high30 Ų30101.8 Ų101.820%0.19551%0.507CS..PPolyproline II helixtrans-62.4153175.529.3-37.4000111Y206 P211 W224Y206-P220 HydrophobicContact CD1-CG 3.53Å; Y206-P220 HydrophobicContact CE1-CG 4.09Å; Y206-P220 HydrophobicContact CG-CG 3.82Å; P211-P220 HydrophobicContact CB-CG 3.96Å; P211-P220 HydrophobicContact CG-CG 4.08Å; P220-W224 HydrophobicContact CB-CB 3.93Å; P220-W224 HydrophobicContact CB-CD2 3.67Å; P220-W224 HydrophobicContact CB-CE3 3.33Å; P220-W224 HydrophobicContact CB-CG 3.97Å; P220-W224 HydrophobicContact CB-CZ3 4.1Å; P220-W224 HydrophobicContact CG-CD2 4.3Å; P220-W224 HydrophobicContact CG-CE3 3.44Å; P220-W224 VanDerWaalsContact CG-CE3 3.44Å; P220-W224 HydrophobicContact CG-CZ3 3.9Å
221G90.9Very high91.7Very high52 Ų5299.9 Ų99.954%0.53650%0.503SS..PPolyproline II helixtrans-61.7153.9173.500000111.8R223 W224G221-R223 PolarHBondContact O-N 2.97Å; G221-W224 VanDerWaalsContact O-CB 3.3Å; G221-W224 WeakPolarHBondContact O-CB 3.29Å; G221-W224 PolarHBondContact O-N 3.34Å
222F90.7Very high91.8Very high108 Ų10899 Ų9947%0.47450%0.501SS..THydrogen-bonded Turntrans-58.8-20.2-176.676-87.8000115.8P204P204-F222 HydrophobicContact CB-CB 4.15Å; P204-F222 HydrophobicContact CB-CG 4.37Å; P204-F222 HydrophobicContact CG-CB 3.93Å; P204-F222 HydrophobicContact CG-CD1 3.95Å; P204-F222 HydrophobicContact CG-CD2 3.72Å; P204-F222 HydrophobicContact CG-CE1 4.35Å; P204-F222 HydrophobicContact CG-CE2 4.12Å; P204-F222 HydrophobicContact CG-CG 3.61Å; P204-F222 HydrophobicContact CG-CZ 4.42Å; P204-F222 VanDerWaalsContact O-CB 3.26Å; P204-F222 WeakPolarHBondContact O-CB 3.35Å
223R92.9Very high92.1Very high210 Ų210101.5 Ų101.579%0.79251%0.506SS*.THydrogen-bonded Turntrans-960-179-59.1175.559.279.4-1.8113.2G221G221-R223 PolarHBondContact O-N 2.97Å
224W93.3Very high92.2Very high69 Ų6998.9 Ų98.926%0.26148%0.483SS..  trans-63.1141.6176.6-172.449.7000109.3Y206 P211 P220 G221Y206-W224 HydrophobicContact CD1-CE3 4.19Å; Y206-W224 HydrophobicContact CD2-CB 4.35Å; Y206-W224 HydrophobicContact CD2-CE3 4.43Å; Y206-W224 AromaticContact CE1-CE3 3.62Å; Y206-W224 HydrophobicContact CE1-CE3 3.62Å; Y206-W224 AromaticContact CE1-CZ3 3.74Å; Y206-W224 HydrophobicContact CE1-CZ3 3.74Å; Y206-W224 HydrophobicContact CE2-CB 4.35Å; Y206-W224 AromaticContact CE2-CE3 3.96Å; Y206-W224 HydrophobicContact CE2-CE3 3.96Å; Y206-W224 WeakPolarHBondContact CE2-O 3.32Å; Y206-W224 AromaticContact CZ-CE3 3.48Å; Y206-W224 VanDerWaalsContact CZ-CE3 3.48Å; Y206-W224 AromaticContact CZ-CZ3 3.84Å; P211-W224 HydrophobicContact CB-CH2 4.01Å; P211-W224 HydrophobicContact CB-CZ3 3.6Å; P220-W224 HydrophobicContact CB-CB 3.93Å; P220-W224 HydrophobicContact CB-CD2 3.67Å; P220-W224 HydrophobicContact CB-CE3 3.33Å; P220-W224 HydrophobicContact CB-CG 3.97Å; P220-W224 HydrophobicContact CB-CZ3 4.1Å; P220-W224 HydrophobicContact CG-CD2 4.3Å; P220-W224 HydrophobicContact CG-CE3 3.44Å; P220-W224 VanDerWaalsContact CG-CE3 3.44Å; P220-W224 HydrophobicContact CG-CZ3 3.9Å; G221-W224 VanDerWaalsContact O-CB 3.3Å; G221-W224 WeakPolarHBondContact O-CB 3.29Å; G221-W224 PolarHBondContact O-N 3.34Å
225D91.7Very high92.3Very high83 Ų83103.1 Ų103.144%0.44450%0.499SS..  trans-93.8-3.8-174.262-7.9000113.2V227 R229D225-V227 VanDerWaalsContact C-N 3.27Å; D225-V227 PolarHBondContact O-N 2.89Å; D225-V227 PolarHBondContact OD1-N 3.32Å; D225-V227 VanDerWaalsContact OD1-N 3.11Å; D225-R229 VanDerWaalsContact CG-NH1 3.34Å; D225-R229 IonicContact OD1-CZ 2.65Å; D225-R229 IonicContact OD1-NH1 3.65Å; D225-R229 PolarHBondContact OD1-NH1 2.8Å; D225-R229 IonicContact OD1-NH2 3.33Å; D225-R229 IonicContact OD2-CZ 3.29Å; D225-R229 IonicContact OD2-NH1 3.06Å; D225-R229 PolarHBondContact OD2-NH1 3.37Å; D225-R229 VanDerWaalsContact OD2-NH1 3.11Å; D225-R229 IonicContact OD2-NH2 3.81Å; D225-R229 PolarHBondContact OD2-NH2 2.99Å
226G90.8Very high92.4Very high24 Ų24103.9 Ų103.925%0.24751%0.506CS..SBendtrans80.60.9-177.800000114.5Y206Y206-G226 WeakPolarHBondContact OH-CA 3.12Å; Y206-G226 PolarHBondContact OH-N 3.46Å
227V90.3Very high92.5Very high80 Ų8098.4 Ų98.449%0.48549%0.486SS..  trans-84.3121175.9-179.10000109D225 R229D225-V227 VanDerWaalsContact C-N 3.27Å; D225-V227 PolarHBondContact O-N 2.89Å; D225-V227 PolarHBondContact OD1-N 3.32Å; D225-V227 VanDerWaalsContact OD1-N 3.11Å; V227-R229 HydrophobicContact CG1-CG 4.49Å; V227-R229 PolarHBondContact O-N 3.25Å; V227-R229 PolarHBondContact O-NH1 3.5Å
228D90.4Very high92.7Very high99 Ų9995.1 Ų95.153%0.52947%0.47SS..  trans-69.7120.1174-173.68.5000110.3S230D228-S230 WeakPolarHBondContact OD1-CB 3.49Å; D228-S230 PolarHBondContact OD1-N 2.99Å; D228-S230 PolarHBondContact OD1-OG 2.71Å; D228-S230 PolarHBondContact OD2-OG 3.14Å
229R91.9Very high92.9Very high173 Ų17394.5 Ų94.565%0.65347%0.465SS*.  trans-117.820.2177.5-62.6179.5179.179.9-4.9111.7D225 V227D225-R229 VanDerWaalsContact CG-NH1 3.34Å; D225-R229 IonicContact OD1-CZ 2.65Å; D225-R229 IonicContact OD1-NH1 3.65Å; D225-R229 PolarHBondContact OD1-NH1 2.8Å; D225-R229 IonicContact OD1-NH2 3.33Å; D225-R229 IonicContact OD2-CZ 3.29Å; D225-R229 IonicContact OD2-NH1 3.06Å; D225-R229 PolarHBondContact OD2-NH1 3.37Å; D225-R229 VanDerWaalsContact OD2-NH1 3.11Å; D225-R229 IonicContact OD2-NH2 3.81Å; D225-R229 PolarHBondContact OD2-NH2 2.99Å; V227-R229 HydrophobicContact CG1-CG 4.49Å; V227-R229 PolarHBondContact O-N 3.25Å; V227-R229 PolarHBondContact O-NH1 3.5Å
230S91.9Very high93.3Very high67 Ų6789.3 Ų89.347%0.46945%0.45SS..  trans-77158.4-176.471.90000112.6D228 G232D228-S230 WeakPolarHBondContact OD1-CB 3.49Å; D228-S230 PolarHBondContact OD1-N 2.99Å; D228-S230 PolarHBondContact OD1-OG 2.71Å; D228-S230 PolarHBondContact OD2-OG 3.14Å; S230-G232 PolarHBondContact O-N 3.01Å; S230-G232 PolarHBondContact OG-N 3.42Å
231N94.6Very high93.4Very high149 Ų14993.1 Ų93.180%0.79747%0.465SS*.  trans-82.515.8169.6-17012000112.1F233N231-F233 PolarHBondContact O-N 3.31Å; N231-F233 VanDerWaalsContact O-N 3.09Å
232G93.5Very high93.6Very high24 Ų2494.3 Ų94.325%0.24746%0.463CS..SBendtrans65.78.6-174.200000115.6S230 K235 K236S230-G232 PolarHBondContact O-N 3.01Å; S230-G232 PolarHBondContact OG-N 3.42Å; G232-K235 PolarHBondContact O-N 3.18Å; G232-K236 WeakPolarHBondContact O-CG 3.26Å; G232-K236 PolarHBondContact O-N 3.43Å; G232-K236 VanDerWaalsContact O-N 3.08Å
233F95.6Very high94Very high122 Ų12296.6 Ų96.654%0.53547%0.468SS..Hα-helixtrans-61-45-178.9178.2-103.9000112.9N231 K235 K236 I237N231-F233 PolarHBondContact O-N 3.31Å; N231-F233 VanDerWaalsContact O-N 3.09Å; F233-K235 VanDerWaalsContact C-N 3.31Å; F233-K235 PolarHBondContact O-N 3.13Å; F233-K236 PolarHBondContact O-N 3.36Å; F233-I237 HydrophobicContact CD1-CD1 3.74Å; F233-I237 HydrophobicContact CD1-CG1 4.5Å; F233-I237 HydrophobicContact CE1-CD1 3.17Å; F233-I237 HydrophobicContact CE1-CG1 4.17Å; F233-I237 HydrophobicContact CE2-CD1 4.21Å; F233-I237 HydrophobicContact CE2-CG1 4.47Å; F233-I237 HydrophobicContact CG-CD1 4.48Å; F233-I237 HydrophobicContact CZ-CD1 3.45Å; F233-I237 VanDerWaalsContact CZ-CD1 3.45Å; F233-I237 HydrophobicContact CZ-CG1 4.16Å; F233-I237 PolarHBondContact O-N 3.45Å
234E94.5Very high94.2Very high55 Ų5593.3 Ų93.326%0.25746%0.456SS..Hα-helixtrans-60.2-41.8177.6-67.1-62.4147.800111.5K236 I237 V238E234-K236 PolarHBondContact O-N 3.14Å; E234-I237 PolarHBondContact O-N 2.97Å; E234-V238 WeakPolarHBondContact O-CG2 3.35Å; E234-V238 PolarHBondContact O-N 3.44Å; E234-V238 VanDerWaalsContact O-N 3.15Å
235K93.9Very high94.4Very high146 Ų14697.8 Ų97.864%0.63547%0.473SS*.Hα-helixtrans-61.1-46.6176-169.5-175.8-179.8-168.60111.5G232 F233 I237 V238 E239G232-K235 PolarHBondContact O-N 3.18Å; F233-K235 VanDerWaalsContact C-N 3.31Å; F233-K235 PolarHBondContact O-N 3.13Å; K235-I237 VanDerWaalsContact C-N 3.32Å; K235-I237 PolarHBondContact O-N 3.37Å; K235-V238 PolarHBondContact O-N 3.41Å; K235-E239 WeakPolarHBondContact CE-OE1 3.3Å; K235-E239 WeakPolarHBondContact CG-OE1 3.18Å; K235-E239 IonicContact NZ-OE1 2.68Å; K235-E239 WeakPolarHBondContact O-CG 3.17Å; K235-E239 PolarHBondContact O-N 3.3Å
236K96.1Very high94.7Very high133 Ų13397.4 Ų97.458%0.57847%0.473SS*.Hα-helixtrans-60.8-38.5177.3-71176-178.6177.50112.5G232 F233 E234 E239 D240G232-K236 WeakPolarHBondContact O-CG 3.26Å; G232-K236 PolarHBondContact O-N 3.43Å; G232-K236 VanDerWaalsContact O-N 3.08Å; F233-K236 PolarHBondContact O-N 3.36Å; E234-K236 PolarHBondContact O-N 3.14Å; K236-E239 PolarHBondContact O-N 2.91Å; K236-D240 WeakPolarHBondContact O-CB 3.32Å; K236-D240 PolarHBondContact O-N 3.43Å
237I95.4Very high95.1Very high26 Ų26100.5 Ų100.513%0.13348%0.481CS..Hα-helixtrans-62.4-46.8176.2-75.1175.6000110.7F233 E234 K235 E239 D240 Q241F233-I237 HydrophobicContact CD1-CD1 3.74Å; F233-I237 HydrophobicContact CD1-CG1 4.5Å; F233-I237 HydrophobicContact CE1-CD1 3.17Å; F233-I237 HydrophobicContact CE1-CG1 4.17Å; F233-I237 HydrophobicContact CE2-CD1 4.21Å; F233-I237 HydrophobicContact CE2-CG1 4.47Å; F233-I237 HydrophobicContact CG-CD1 4.48Å; F233-I237 HydrophobicContact CZ-CD1 3.45Å; F233-I237 VanDerWaalsContact CZ-CD1 3.45Å; F233-I237 HydrophobicContact CZ-CG1 4.16Å; F233-I237 PolarHBondContact O-N 3.45Å; E234-I237 PolarHBondContact O-N 2.97Å; K235-I237 VanDerWaalsContact C-N 3.32Å; K235-I237 PolarHBondContact O-N 3.37Å; I237-E239 VanDerWaalsContact C-N 3.32Å; I237-E239 PolarHBondContact O-N 3Å; I237-D240 PolarHBondContact O-N 2.91Å; I237-Q241 HydrophobicContact CG2-CG 4.33Å; I237-Q241 WeakPolarHBondContact O-CB 3.37Å; I237-Q241 VanDerWaalsContact O-CG 3.3Å; I237-Q241 WeakPolarHBondContact O-CG 3.46Å; I237-Q241 PolarHBondContact O-N 3.21Å
238V94.1Very high95.5Very high67 Ų67104.6 Ų104.641%0.40649%0.488SS..Hα-helixtrans-62.7-43.1180175.20000110.4E234 K235 Q241 T242E234-V238 WeakPolarHBondContact O-CG2 3.35Å; E234-V238 PolarHBondContact O-N 3.44Å; E234-V238 VanDerWaalsContact O-N 3.15Å; K235-V238 PolarHBondContact O-N 3.41Å; V238-Q241 PolarHBondContact O-N 2.65Å; V238-T242 HydrophobicContact CG1-CG2 4.49Å; V238-T242 WeakPolarHBondContact O-CG2 3.4Å; V238-T242 PolarHBondContact O-N 3.3Å; V238-T242 PolarHBondContact O-OG1 2.9Å
239E95.7Very high95.8Very high95 Ų95103.5 Ų103.544%0.44448%0.48SS..Hα-helixtrans-60.9-43175.2-70.6168.5-179.200112.6K235 K236 I237 T242 R243K235-E239 WeakPolarHBondContact CE-OE1 3.3Å; K235-E239 WeakPolarHBondContact CG-OE1 3.18Å; K235-E239 IonicContact NZ-OE1 2.68Å; K235-E239 WeakPolarHBondContact O-CG 3.17Å; K235-E239 PolarHBondContact O-N 3.3Å; K236-E239 PolarHBondContact O-N 2.91Å; I237-E239 VanDerWaalsContact C-N 3.32Å; I237-E239 PolarHBondContact O-N 3Å; E239-T242 PolarHBondContact O-OG1 3.34Å; E239-R243 WeakPolarHBondContact O-CB 3.38Å; E239-R243 PolarHBondContact O-N 3.05Å
240D96.9Very high96.1Very high63 Ų6399 Ų9934%0.33747%0.467SS..Hα-helixtrans-68.3-39177.9-174.339.2000111.7K236 I237 R243 R244K236-D240 WeakPolarHBondContact O-CB 3.32Å; K236-D240 PolarHBondContact O-N 3.43Å; I237-D240 PolarHBondContact O-N 2.91Å; D240-R243 PolarHBondContact O-N 3.28Å; D240-R244 WeakPolarHBondContact O-CB 3.42Å; D240-R244 VanDerWaalsContact O-CG 3.29Å; D240-R244 WeakPolarHBondContact O-CG 3.44Å; D240-R244 PolarHBondContact O-N 3.15Å; D240-R244 IonicContact OD1-CZ 3.76Å; D240-R244 IonicContact OD1-NE 3.88Å; D240-R244 PolarHBondContact OD1-NE 3.11Å; D240-R244 IonicContact OD1-NH2 3.32Å; D240-R244 IonicContact OD2-CZ 2.65Å; D240-R244 IonicContact OD2-NE 2.73Å; D240-R244 PolarHBondContact OD2-NE 3.48Å; D240-R244 IonicContact OD2-NH1 3.24Å; D240-R244 IonicContact OD2-NH2 3.75Å; D240-R244 PolarHBondContact OD2-NH2 3.45Å
241Q95.8Very high96.3Very high110 Ų11098.5 Ų98.551%0.51447%0.468SS..Hα-helixtrans-64.2-45.2175.1-74.2179.83.100112.3I237 V238 R245I237-Q241 HydrophobicContact CG2-CG 4.33Å; I237-Q241 WeakPolarHBondContact O-CB 3.37Å; I237-Q241 VanDerWaalsContact O-CG 3.3Å; I237-Q241 WeakPolarHBondContact O-CG 3.46Å; I237-Q241 PolarHBondContact O-N 3.21Å; V238-Q241 PolarHBondContact O-N 2.65Å; Q241-R245 PolarHBondContact O-N 2.98Å; Q241-R245 VanDerWaalsContact O-N 3.09Å
242T96.1Very high96.3Very high78 Ų7897.7 Ų97.748%0.47946%0.459SS..Hα-helixtrans-66.2-4317755.80000110.8V238 E239 R244 R245 V246V238-T242 HydrophobicContact CG1-CG2 4.49Å; V238-T242 WeakPolarHBondContact O-CG2 3.4Å; V238-T242 PolarHBondContact O-N 3.3Å; V238-T242 PolarHBondContact O-OG1 2.9Å; E239-T242 PolarHBondContact O-OG1 3.34Å; T242-R244 PolarHBondContact O-N 3.11Å; T242-R245 WeakPolarHBondContact O-CB 3.11Å; T242-R245 PolarHBondContact O-N 3Å; T242-V246 VanDerWaalsContact O-CG2 3.3Å; T242-V246 WeakPolarHBondContact O-CG2 3.2Å; T242-V246 PolarHBondContact O-N 3.46Å
243R97.9Very high96.5Very high156 Ų156105 Ų10559%0.58948%0.479SS*.Hα-helixtrans-54.7-52.8174.9179-179174.3179.3-0.4111.7E239 D240 R245 V246 E247E239-R243 WeakPolarHBondContact O-CB 3.38Å; E239-R243 PolarHBondContact O-N 3.05Å; D240-R243 PolarHBondContact O-N 3.28Å; R243-R245 VanDerWaalsContact C-N 3.28Å; R243-R245 PolarHBondContact O-N 3.26Å; R243-V246 PolarHBondContact O-N 3.03Å; R243-E247 HydrophobicContact CG-CG 4.33Å; R243-E247 WeakPolarHBondContact CG-OE1 3.39Å; R243-E247 IonicContact CZ-OE1 2.79Å; R243-E247 IonicContact NE-OE1 3.11Å; R243-E247 PolarHBondContact NE-OE1 3Å; R243-E247 IonicContact NH2-OE1 3.9Å; R243-E247 PolarHBondContact NH2-OE1 2.79Å; R243-E247 WeakPolarHBondContact O-CB 3.4Å; R243-E247 WeakPolarHBondContact O-CG 3.18Å; R243-E247 PolarHBondContact O-N 2.98Å
244R98.1Very high96.5Very high141 Ų141109 Ų10953%0.53249%0.491SS..Hα-helixtrans-61.2-35.7179-72.2176.2-168.8177.62.7112.8D240 T242 R248D240-R244 WeakPolarHBondContact O-CB 3.42Å; D240-R244 VanDerWaalsContact O-CG 3.29Å; D240-R244 WeakPolarHBondContact O-CG 3.44Å; D240-R244 PolarHBondContact O-N 3.15Å; D240-R244 IonicContact OD1-CZ 3.76Å; D240-R244 IonicContact OD1-NE 3.88Å; D240-R244 PolarHBondContact OD1-NE 3.11Å; D240-R244 IonicContact OD1-NH2 3.32Å; D240-R244 IonicContact OD2-CZ 2.65Å; D240-R244 IonicContact OD2-NE 2.73Å; D240-R244 PolarHBondContact OD2-NE 3.48Å; D240-R244 IonicContact OD2-NH1 3.24Å; D240-R244 IonicContact OD2-NH2 3.75Å; D240-R244 PolarHBondContact OD2-NH2 3.45Å; T242-R244 PolarHBondContact O-N 3.11Å; R244-R248 WeakPolarHBondContact O-CB 3.35Å; R244-R248 PolarHBondContact O-N 3.34Å; R244-R248 VanDerWaalsContact O-N 3.16Å
245R98.2Very high96.5Very high163 Ų163109.7 Ų109.762%0.61551%0.506SS*.Hα-helixtrans-66-48.5175.3-177.4-179.3177.7167.84.5111Q241 T242 R243 R248 E249Q241-R245 PolarHBondContact O-N 2.98Å; Q241-R245 VanDerWaalsContact O-N 3.09Å; T242-R245 WeakPolarHBondContact O-CB 3.11Å; T242-R245 PolarHBondContact O-N 3Å; R243-R245 VanDerWaalsContact C-N 3.28Å; R243-R245 PolarHBondContact O-N 3.26Å; R245-R248 PolarHBondContact O-N 3.47Å; R245-E249 IonicContact NE-OE1 3.62Å; R245-E249 PolarHBondContact NE-OE1 3.35Å; R245-E249 PolarHBondContact O-N 3.03Å
246V98.2Very high96.6Very high75 Ų75106.4 Ų106.446%0.45550%0.498SS..Hα-helixtrans-62.7-46.3179.6170.90000111T242 R243 R248 E249 I250T242-V246 VanDerWaalsContact O-CG2 3.3Å; T242-V246 WeakPolarHBondContact O-CG2 3.2Å; T242-V246 PolarHBondContact O-N 3.46Å; R243-V246 PolarHBondContact O-N 3.03Å; V246-R248 VanDerWaalsContact C-N 3.28Å; V246-R248 PolarHBondContact O-N 2.99Å; V246-E249 PolarHBondContact O-N 3.22Å; V246-I250 HydrophobicContact CG1-CD1 3.64Å; V246-I250 HydrophobicContact CG1-CG1 4.3Å; V246-I250 VanDerWaalsContact O-CG1 3.29Å; V246-I250 WeakPolarHBondContact O-CG1 3.44Å; V246-I250 PolarHBondContact O-N 3.46Å
247E98Very high96.5Very high89 Ų89108 Ų10842%0.41651%0.508SS..Hα-helixtrans-58.8-39.7176.4-74.5173.7172.900111.8R243 I250 A251R243-E247 HydrophobicContact CG-CG 4.33Å; R243-E247 WeakPolarHBondContact CG-OE1 3.39Å; R243-E247 IonicContact CZ-OE1 2.79Å; R243-E247 IonicContact NE-OE1 3.11Å; R243-E247 PolarHBondContact NE-OE1 3Å; R243-E247 IonicContact NH2-OE1 3.9Å; R243-E247 PolarHBondContact NH2-OE1 2.79Å; R243-E247 WeakPolarHBondContact O-CB 3.4Å; R243-E247 WeakPolarHBondContact O-CG 3.18Å; R243-E247 PolarHBondContact O-N 2.98Å; E247-I250 PolarHBondContact O-N 3.3Å; E247-A251 VanDerWaalsContact O-CB 3.24Å; E247-A251 WeakPolarHBondContact O-CB 3.17Å; E247-A251 PolarHBondContact O-N 3.46Å
248R98Very high95.9Very high166 Ų166114.5 Ų114.563%0.62654%0.542SS*.Hα-helixtrans-64.7-43.3175.9-171.5-175.4-65.3105.4-1.3112.1R244 R245 V246 A251 Q252R244-R248 WeakPolarHBondContact O-CB 3.35Å; R244-R248 PolarHBondContact O-N 3.34Å; R244-R248 VanDerWaalsContact O-N 3.16Å; R245-R248 PolarHBondContact O-N 3.47Å; V246-R248 VanDerWaalsContact C-N 3.28Å; V246-R248 PolarHBondContact O-N 2.99Å; R248-A251 PolarHBondContact O-N 3.49Å; R248-Q252 WeakPolarHBondContact O-CB 3.33Å; R248-Q252 PolarHBondContact O-N 3.24Å
249E97.7Very high95.2Very high76 Ų76121.4 Ų121.436%0.35557%0.573SS.*Hα-helixtrans-66.1-41.1177.6-72.1176.8-16600111.4R245 V246 Q252 R253R245-E249 IonicContact NE-OE1 3.62Å; R245-E249 PolarHBondContact NE-OE1 3.35Å; R245-E249 PolarHBondContact O-N 3.03Å; V246-E249 PolarHBondContact O-N 3.22Å; E249-Q252 PolarHBondContact O-N 2.89Å; E249-R253 VanDerWaalsContact O-CG 3.32Å; E249-R253 WeakPolarHBondContact O-CG 3.31Å; E249-R253 PolarHBondContact O-N 2.84Å
250I97.4Very high95.2Very high77 Ų77122.8 Ų122.840%0.39558%0.579SS.*Hα-helixtrans-62.4-50.2174.2-67.5168.9000109.9V246 E247 Q252 R253 W254V246-I250 HydrophobicContact CG1-CD1 3.64Å; V246-I250 HydrophobicContact CG1-CG1 4.3Å; V246-I250 VanDerWaalsContact O-CG1 3.29Å; V246-I250 WeakPolarHBondContact O-CG1 3.44Å; V246-I250 PolarHBondContact O-N 3.46Å; E247-I250 PolarHBondContact O-N 3.3Å; I250-Q252 VanDerWaalsContact C-N 3.28Å; I250-Q252 PolarHBondContact O-N 3.01Å; I250-R253 PolarHBondContact O-N 3.33Å; I250-R253 VanDerWaalsContact O-N 3.12Å; I250-W254 HydrophobicContact CG2-CG 4.47Å; I250-W254 PolarHBondContact O-N 2.91Å
251A96.5Very high95.1Very high58 Ų58125.9 Ų125.948%0.47959%0.592SS.*Hα-helixtrans-59.6-39.417900000112.2E247 R248 W254 A255E247-A251 VanDerWaalsContact O-CB 3.24Å; E247-A251 WeakPolarHBondContact O-CB 3.17Å; E247-A251 PolarHBondContact O-N 3.46Å; R248-A251 PolarHBondContact O-N 3.49Å; A251-W254 PolarHBondContact O-N 2.95Å; A251-A255 WeakPolarHBondContact O-CB 3.44Å; A251-A255 PolarHBondContact O-N 3.32Å
252Q95.4Very high95Very high131 Ų131126.8 Ų126.861%0.61260%0.597SS**Hα-helixtrans-63.3-45.4174.9-172.4-178.515.400111.5R248 E249 I250 W254 A255 V256R248-Q252 WeakPolarHBondContact O-CB 3.33Å; R248-Q252 PolarHBondContact O-N 3.24Å; E249-Q252 PolarHBondContact O-N 2.89Å; I250-Q252 VanDerWaalsContact C-N 3.28Å; I250-Q252 PolarHBondContact O-N 3.01Å; Q252-W254 VanDerWaalsContact C-N 3.32Å; Q252-W254 PolarHBondContact O-N 3.46Å; Q252-A255 PolarHBondContact O-N 3.18Å; Q252-V256 VanDerWaalsContact O-CG2 3.31Å; Q252-V256 WeakPolarHBondContact O-CG2 3.41Å; Q252-V256 PolarHBondContact O-N 3.24Å; Q252-V256 VanDerWaalsContact O-N 3.14Å
253R96.6Very high95Very high178 Ų178129.6 Ų129.667%0.67260%0.604SS**Hα-helixtrans-60.7-42.4176.2-71.9175.3-175.2-176.43.4111.6E249 I250 V256 E257E249-R253 VanDerWaalsContact O-CG 3.32Å; E249-R253 WeakPolarHBondContact O-CG 3.31Å; E249-R253 PolarHBondContact O-N 2.84Å; I250-R253 PolarHBondContact O-N 3.33Å; I250-R253 VanDerWaalsContact O-N 3.12Å; R253-V256 PolarHBondContact O-N 2.99Å; R253-E257 PolarHBondContact O-N 3.22Å
254W96.1Very high94.8Very high206 Ų206128 Ų12878%0.7860%0.604SS**Hα-helixtrans-66.9-38177.9-77.448.5000112.7I250 A251 Q252 V256I250-W254 HydrophobicContact CG2-CG 4.47Å; I250-W254 PolarHBondContact O-N 2.91Å; A251-W254 PolarHBondContact O-N 2.95Å; Q252-W254 VanDerWaalsContact C-N 3.32Å; Q252-W254 PolarHBondContact O-N 3.46Å; W254-V256 VanDerWaalsContact C-N 3.31Å; W254-V256 PolarHBondContact O-N 3.41Å
255A95.2Very high94.6Very high69 Ų69127.1 Ų127.157%0.5761%0.609SS**Hα-helixtrans-71-26.217900000113.3A251 Q252A251-A255 WeakPolarHBondContact O-CB 3.44Å; A251-A255 PolarHBondContact O-N 3.32Å; Q252-A255 PolarHBondContact O-N 3.18Å
256V95.6Very high94.3Very high78 Ų78124.6 Ų124.647%0.47361%0.609SS.*Hα-helixtrans-83.7-25.4179.6171.20000112.3Q252 R253 W254 D258 M259Q252-V256 VanDerWaalsContact O-CG2 3.31Å; Q252-V256 WeakPolarHBondContact O-CG2 3.41Å; Q252-V256 PolarHBondContact O-N 3.24Å; Q252-V256 VanDerWaalsContact O-N 3.14Å; R253-V256 PolarHBondContact O-N 2.99Å; W254-V256 VanDerWaalsContact C-N 3.31Å; W254-V256 PolarHBondContact O-N 3.41Å; V256-D258 PolarHBondContact O-N 2.85Å; V256-D258 VanDerWaalsContact O-N 3.13Å; V256-M259 PolarHBondContact O-N 2.84Å
257E92.8Very high94Very high167 Ų167128.4 Ų128.478%0.7862%0.621SS**THydrogen-bonded Turntrans-62.8-21.8-173.2-167.563.5-164.800114.5R253R253-E257 PolarHBondContact O-N 3.22Å
258D84.6Confident93.7Very high161 Ų161131.7 Ų131.786%0.86164%0.638SS**THydrogen-bonded Turntrans-107.211.3-178.6-156.133.8000113.5V256V256-D258 PolarHBondContact O-N 2.85Å; V256-D258 VanDerWaalsContact O-N 3.13Å
259M78.2Confident93.3Very high213 Ų213128.5 Ų128.5100%1.04964%0.639SS**  trans-105.80174-73.9-153.8-66.600112.1V256V256-M259 PolarHBondContact O-N 2.84Å

Retrieved 259 of 259 residues in 40 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).