A0A067ZVG5_HUMAN Loading...

Nuclear pore complex-interacting protein

AlphaFold DB , UniProt , Accession A0A067ZVG5, Species HUMAN (Homo sapiens, Human), Gene NPIP, Length 178 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.1Very low46.4Very low236 Ų236174.2 Ų174.2100%1.16384%0.837SS**  089.70-80162.3165.600106.3M3M1-M3 PolarHBondContact O-N 3.23Å
2D43.5Very low46.2Very low162 Ų162174.4 Ų174.487%0.86684%0.836SS**  trans-68118.9179.2-67.9-62.5000109.4M4D2-M4 PolarHBondContact O-N 2.98Å
3M47.4Very low46.1Very low191 Ų191171.1 Ų171.194%0.94184%0.837SS**  trans-72.9112.9175.3-74.5-171.9-81.300108.8M1 D5M1-M3 PolarHBondContact O-N 3.23Å; M3-D5 PolarHBondContact O-N 2.95Å
4M50Low46.2Very low180 Ų180163.9 Ų163.989%0.88783%0.829SS**  trans-62.3131.5176.4-77.4142.2178.700111.2D2D2-M4 PolarHBondContact O-N 2.98Å
5D49.1Very low46.3Very low91 Ų91156.8 Ų156.849%0.48781%0.813SS.*  trans-58.8123.1-179-174.2-18.3000111.5M3 R7 M8M3-D5 PolarHBondContact O-N 2.95Å; D5-R7 PolarHBondContact O-N 3.31Å; D5-R7 WeakPolarHBondContact OD1-CB 3.41Å; D5-R7 VanDerWaalsContact OD1-CG 3.31Å; D5-R7 WeakPolarHBondContact OD1-CG 3.39Å; D5-R7 PolarHBondContact OD1-N 3.16Å; D5-M8 PolarHBondContact O-N 3.43Å
6P49Very low46.3Very low112 Ų112151.6 Ų151.673%0.72779%0.793SS**G310 helixtrans-58.3-13.4178.1-23.632.7000115.1M8 Y9P6-M8 PolarHBondContact O-N 3.25Å; P6-Y9 PolarHBondContact O-N 2.95Å
7R50.5Low46.3Very low213 Ų213147.4 Ų147.480%0.80477%0.774SS**G310 helixtrans-69.8-13.8178.8-69.7176.3174.6-165.20.4114.2D5 Y9D5-R7 PolarHBondContact O-N 3.31Å; D5-R7 WeakPolarHBondContact OD1-CB 3.41Å; D5-R7 VanDerWaalsContact OD1-CG 3.31Å; D5-R7 WeakPolarHBondContact OD1-CG 3.39Å; D5-R7 PolarHBondContact OD1-N 3.16Å; R7-Y9 VanDerWaalsContact C-N 3.29Å; R7-Y9 PolarHBondContact O-N 3.06Å
8M43Very low46.3Very low170 Ų170143.1 Ų143.184%0.83776%0.764SS**G310 helixtrans-78.6-9179.6-66.9-65.9-80.200113.8D5 P6D5-M8 PolarHBondContact O-N 3.43Å; P6-M8 PolarHBondContact O-N 3.25Å
9Y46.2Very low46.2Very low219 Ų219141.4 Ų141.486%0.85976%0.759SS**G310 helixtrans-96.93.4-173.9-129-87000115.7P6 R7P6-Y9 PolarHBondContact O-N 2.95Å; R7-Y9 VanDerWaalsContact C-N 3.29Å; R7-Y9 PolarHBondContact O-N 3.06Å
10S45.2Very low46.3Very low106 Ų106138.4 Ų138.474%0.74174%0.743SS**  trans-110.217.1-172-66.70000115.8E12S10-E12 PolarHBondContact O-N 2.57Å
11R46.3Very low46.1Very low236 Ų236139.5 Ų139.589%0.89174%0.737SS**  trans-99.570.7173.1-145.1175.2-169.6167.11.7110.4P13R11-P13 VanDerWaalsContact O-CD 3.25Å; R11-P13 WeakPolarHBondContact O-CD 3.24Å
12E44.5Very low46.3Very low177 Ų177134.4 Ų134.483%0.82771%0.71SS**  trans-58114.2162.7-74.5-99.613300108.6S10 G14S10-E12 PolarHBondContact O-N 2.57Å; E12-G14 VanDerWaalsContact C-N 3.35Å; E12-G14 PolarHBondContact O-N 3.34Å; E12-G14 VanDerWaalsContact O-N 3.08Å
13P44Very low46.3Very low131 Ų131128.4 Ų128.485%0.85169%0.686SS**THydrogen-bonded Turntrans-85.582178.433.3-26.5000107.9R11R11-P13 VanDerWaalsContact O-CD 3.25Å; R11-P13 WeakPolarHBondContact O-CD 3.24Å
14G47.6Very low46.3Very low71 Ų71124 Ų12473%0.73267%0.665SS**THydrogen-bonded Turntrans-166.47.2-177.700000117.1E12E12-G14 VanDerWaalsContact C-N 3.35Å; E12-G14 PolarHBondContact O-N 3.34Å; E12-G14 VanDerWaalsContact O-N 3.08Å
15G48.4Very low46.4Very low57 Ų57121.7 Ų121.759%0.58865%0.65SS**SBendtrans-81136.8172.700000110.9T17G15-T17 PolarHBondContact O-N 3.43Å; G15-T17 VanDerWaalsContact O-N 3.16Å
16P46Very low46.7Very low74 Ų74122 Ų12248%0.48165%0.651SS.*PPolyproline II helixtrans-56.7124.7173.422.1-30000108.5D20P16-D20 HydrophobicContact CB-CB 4.01Å
17T46.6Very low46.8Very low79 Ų79120.7 Ų120.749%0.48564%0.641SS.*PPolyproline II helixtrans-63.3158.9-175.361.30000109.7G15 V19 D20 R21G15-T17 PolarHBondContact O-N 3.43Å; G15-T17 VanDerWaalsContact O-N 3.16Å; T17-V19 PolarHBondContact O-N 2.92Å; T17-D20 PolarHBondContact N-OD2 3.12Å; T17-D20 WeakPolarHBondContact O-CB 3.46Å; T17-D20 PolarHBondContact O-N 2.83Å; T17-D20 PolarHBondContact OG1-OD2 3.46Å; T17-R21 PolarHBondContact O-N 3.34Å
18A45.6Very low46.9Very low71 Ų71114.8 Ų114.859%0.58762%0.624SS**Hα-helixtrans-55.2-26.4-179.600000112.9Q22A18-Q22 PolarHBondContact O-N 3.45Å
19V44.9Very low47.7Very low110 Ų110111.4 Ų111.467%0.66761%0.607SS**Hα-helixtrans-67.9-42.4175.5-155.40000111.4T17 R21 Q22 G23T17-V19 PolarHBondContact O-N 2.92Å; V19-R21 PolarHBondContact O-N 3.44Å; V19-Q22 PolarHBondContact O-N 3.13Å; V19-G23 PolarHBondContact O-N 3.01Å
20D47.8Very low48.4Very low82 Ų82106 Ų10644%0.43959%0.593SS.*Hα-helixtrans-65.4-39.2177.1-61.7-48.2000111.8P16 T17 Q22 G23 I24P16-D20 HydrophobicContact CB-CB 4.01Å; T17-D20 PolarHBondContact N-OD2 3.12Å; T17-D20 WeakPolarHBondContact O-CB 3.46Å; T17-D20 PolarHBondContact O-N 2.83Å; T17-D20 PolarHBondContact OG1-OD2 3.46Å; D20-Q22 VanDerWaalsContact C-N 3.33Å; D20-Q22 PolarHBondContact O-N 2.8Å; D20-G23 PolarHBondContact O-N 2.87Å; D20-I24 WeakPolarHBondContact O-CB 3.28Å; D20-I24 VanDerWaalsContact O-CD1 3.3Å; D20-I24 WeakPolarHBondContact O-CD1 3.31Å; D20-I24 WeakPolarHBondContact O-CG1 3.28Å; D20-I24 PolarHBondContact O-N 3.25Å
21R42.8Very low49Very low162 Ų162105.2 Ų105.261%0.61158%0.579SS**Hα-helixtrans-65.4-36.1177.6-72.8-172.2-178.9-151.6-0.5112.6T17 V19 K25T17-R21 PolarHBondContact O-N 3.34Å; V19-R21 PolarHBondContact O-N 3.44Å; R21-K25 PolarHBondContact O-N 2.99Å
22Q43.2Very low49.7Very low129 Ų12999.8 Ų99.860%0.60356%0.562SS**Hα-helixtrans-74.1-41.4178.3-78.7167.614.800111.6A18 V19 D20 I24 K25 I26A18-Q22 PolarHBondContact O-N 3.45Å; V19-Q22 PolarHBondContact O-N 3.13Å; D20-Q22 VanDerWaalsContact C-N 3.33Å; D20-Q22 PolarHBondContact O-N 2.8Å; Q22-I24 VanDerWaalsContact C-N 3.35Å; Q22-I24 PolarHBondContact O-N 3Å; Q22-K25 PolarHBondContact O-N 2.94Å; Q22-I26 WeakPolarHBondContact O-CG1 3.49Å; Q22-I26 PolarHBondContact O-N 2.97Å; Q22-I26 VanDerWaalsContact O-N 3.14Å
23G43.4Very low51Low35 Ų3595 Ų9536%0.36155%0.545SS..Hα-helixtrans-60-42.3173.700000112.9V19 D20 K25 I26 V27V19-G23 PolarHBondContact O-N 3.01Å; D20-G23 PolarHBondContact O-N 2.87Å; G23-K25 PolarHBondContact O-N 3.46Å; G23-I26 PolarHBondContact O-N 3.45Å; G23-V27 VanDerWaalsContact O-CG2 3.26Å; G23-V27 WeakPolarHBondContact O-CG2 3.09Å; G23-V27 PolarHBondContact O-N 3.18Å; G23-V27 VanDerWaalsContact O-N 3.08Å
24I48.5Very low52Low100 Ų10093.5 Ų93.551%0.51353%0.529SS..Hα-helixtrans-65.7-37.8178.3-69164.1000112D20 Q22 L28D20-I24 WeakPolarHBondContact O-CB 3.28Å; D20-I24 VanDerWaalsContact O-CD1 3.3Å; D20-I24 WeakPolarHBondContact O-CD1 3.31Å; D20-I24 WeakPolarHBondContact O-CG1 3.28Å; D20-I24 PolarHBondContact O-N 3.25Å; Q22-I24 VanDerWaalsContact C-N 3.35Å; Q22-I24 PolarHBondContact O-N 3Å; I24-L28 HydrophobicContact CG2-CD1 3.93Å; I24-L28 WeakPolarHBondContact O-CB 3.3Å; I24-L28 WeakPolarHBondContact O-CG 3.43Å; I24-L28 PolarHBondContact O-N 2.97Å; I24-L28 VanDerWaalsContact O-N 3.11Å
25K51.2Low52.9Low131 Ų13194 Ų9457%0.5751%0.509SS*.Hα-helixtrans-65-45.4178-172.9-178.3172.3-168.80111.5R21 Q22 G23 L28 E29R21-K25 PolarHBondContact O-N 2.99Å; Q22-K25 PolarHBondContact O-N 2.94Å; G23-K25 PolarHBondContact O-N 3.46Å; K25-L28 PolarHBondContact O-N 3.41Å; K25-E29 WeakPolarHBondContact CE-OE1 3.31Å; K25-E29 WeakPolarHBondContact O-CG 3.48Å; K25-E29 PolarHBondContact O-N 3.42Å
26I55.1Low53.8Low97 Ų9797.8 Ų97.850%0.49751%0.506SS..Hα-helixtrans-62.8-46.3179.1-65.9165.2000110.5Q22 G23 L28 E29 D30Q22-I26 WeakPolarHBondContact O-CG1 3.49Å; Q22-I26 PolarHBondContact O-N 2.97Å; Q22-I26 VanDerWaalsContact O-N 3.14Å; G23-I26 PolarHBondContact O-N 3.45Å; I26-L28 VanDerWaalsContact C-N 3.3Å; I26-L28 PolarHBondContact O-N 2.89Å; I26-E29 PolarHBondContact O-N 3.07Å; I26-D30 PolarHBondContact O-N 2.91Å
27V51.2Low54.9Low85 Ų8599.2 Ų99.252%0.51551%0.506SS..Hα-helixtrans-61.7-37.9179.11720000111.9G23 I31G23-V27 VanDerWaalsContact O-CG2 3.26Å; G23-V27 WeakPolarHBondContact O-CG2 3.09Å; G23-V27 PolarHBondContact O-N 3.18Å; G23-V27 VanDerWaalsContact O-N 3.08Å; V27-I31 HydrophobicContact CG1-CD1 3.84Å; V27-I31 VanDerWaalsContact O-CD1 3.3Å; V27-I31 WeakPolarHBondContact O-CD1 3.49Å; V27-I31 WeakPolarHBondContact O-CG1 3.42Å; V27-I31 PolarHBondContact O-N 3.37Å; V27-I31 VanDerWaalsContact O-N 3.13Å
28L52.6Low55.7Low88 Ų8896.7 Ų96.746%0.46149%0.491SS..Hα-helixtrans-70.5-38177.6-78.1166.5000113I24 K25 I26 I31 F32I24-L28 HydrophobicContact CG2-CD1 3.93Å; I24-L28 WeakPolarHBondContact O-CB 3.3Å; I24-L28 WeakPolarHBondContact O-CG 3.43Å; I24-L28 PolarHBondContact O-N 2.97Å; I24-L28 VanDerWaalsContact O-N 3.11Å; K25-L28 PolarHBondContact O-N 3.41Å; I26-L28 VanDerWaalsContact C-N 3.3Å; I26-L28 PolarHBondContact O-N 2.89Å; L28-I31 PolarHBondContact O-N 2.94Å; L28-F32 WeakPolarHBondContact O-CB 3.47Å; L28-F32 PolarHBondContact O-N 3.03Å
29E61.6Low56.5Low100 Ų10095.7 Ų95.747%0.46747%0.474SS..Hα-helixtrans-65.7-42.1176.9-75.3170.817700111.4K25 I26 F32 T33K25-E29 WeakPolarHBondContact CE-OE1 3.31Å; K25-E29 WeakPolarHBondContact O-CG 3.48Å; K25-E29 PolarHBondContact O-N 3.42Å; I26-E29 PolarHBondContact O-N 3.07Å; E29-F32 PolarHBondContact O-N 2.98Å; E29-T33 WeakPolarHBondContact O-CB 3.34Å; E29-T33 PolarHBondContact O-N 3.46Å; E29-T33 PolarHBondContact O-OG1 3.28Å
30D59Low57.7Low106 Ų10694.4 Ų94.457%0.56747%0.466SS*.Hα-helixtrans-63.5-42.6175-79-18.2000112I26 F32 T33 L34I26-D30 PolarHBondContact O-N 2.91Å; D30-F32 VanDerWaalsContact C-N 3.32Å; D30-F32 PolarHBondContact O-N 3.49Å; D30-T33 PolarHBondContact O-N 3.43Å; D30-L34 WeakPolarHBondContact O-CB 3.36Å; D30-L34 PolarHBondContact O-N 3.34Å
31I59.2Low59.1Low88 Ų8897.5 Ų97.545%0.45148%0.476SS..Hα-helixtrans-61.7-42.2175.5-70.3165.3000110.8V27 L28 T33 W35V27-I31 HydrophobicContact CG1-CD1 3.84Å; V27-I31 VanDerWaalsContact O-CD1 3.3Å; V27-I31 WeakPolarHBondContact O-CD1 3.49Å; V27-I31 WeakPolarHBondContact O-CG1 3.42Å; V27-I31 PolarHBondContact O-N 3.37Å; V27-I31 VanDerWaalsContact O-N 3.13Å; L28-I31 PolarHBondContact O-N 2.94Å; I31-T33 VanDerWaalsContact C-N 3.34Å; I31-W35 VanDerWaalsContact O-CB 3.31Å; I31-W35 WeakPolarHBondContact O-CB 3.48Å; I31-W35 PolarHBondContact O-N 2.98Å
32F60.4Low60.1Low122 Ų12292.2 Ų92.254%0.53546%0.462SS..Hα-helixtrans-68.7-35.9-179.6-139.3-89.8000112.1L28 E29 D30 W35 R36L28-F32 WeakPolarHBondContact O-CB 3.47Å; L28-F32 PolarHBondContact O-N 3.03Å; E29-F32 PolarHBondContact O-N 2.98Å; D30-F32 VanDerWaalsContact C-N 3.32Å; D30-F32 PolarHBondContact O-N 3.49Å; F32-W35 HydrophobicContact CE1-CE3 4.34Å; F32-W35 HydrophobicContact CE1-CZ3 4.42Å; F32-W35 HydrophobicContact CZ-CE3 4.34Å; F32-W35 HydrophobicContact CZ-CZ3 4.21Å; F32-W35 PolarHBondContact O-N 3.44Å; F32-R36 WeakPolarHBondContact O-CG 3.24Å; F32-R36 PolarHBondContact O-N 3.07Å
33T72.8Confident61.1Low77 Ų7791.7 Ų91.747%0.47245%0.454SS..Hα-helixtrans-69.6-45.8178.1-53.80000110.7E29 D30 I31 W35 R36 Q37E29-T33 WeakPolarHBondContact O-CB 3.34Å; E29-T33 PolarHBondContact O-N 3.46Å; E29-T33 PolarHBondContact O-OG1 3.28Å; D30-T33 PolarHBondContact O-N 3.43Å; I31-T33 VanDerWaalsContact C-N 3.34Å; T33-W35 VanDerWaalsContact C-N 3.28Å; T33-W35 PolarHBondContact O-N 2.88Å; T33-R36 PolarHBondContact O-N 2.89Å; T33-Q37 WeakPolarHBondContact O-CG 3.29Å; T33-Q37 PolarHBondContact O-N 3.27Å
34L65.1Low62.4Low99 Ų9992.3 Ų92.352%0.51846%0.455SS..Hα-helixtrans-60.6-40.6174.4-171.466.2000111.3D30 Q37 V38D30-L34 WeakPolarHBondContact O-CB 3.36Å; D30-L34 PolarHBondContact O-N 3.34Å; L34-Q37 PolarHBondContact O-N 2.84Å; L34-V38 PolarHBondContact O-N 3.06Å; L34-V38 VanDerWaalsContact O-N 3.1Å
35W65Low63.4Low81 Ų8192.6 Ų92.631%0.30745%0.453SS..Hα-helixtrans-61.3-46.5176.2-172.456.2000112.4I31 F32 T33 Q37 V38 E39 F110I31-W35 VanDerWaalsContact O-CB 3.31Å; I31-W35 WeakPolarHBondContact O-CB 3.48Å; I31-W35 PolarHBondContact O-N 2.98Å; F32-W35 HydrophobicContact CE1-CE3 4.34Å; F32-W35 HydrophobicContact CE1-CZ3 4.42Å; F32-W35 HydrophobicContact CZ-CE3 4.34Å; F32-W35 HydrophobicContact CZ-CZ3 4.21Å; F32-W35 PolarHBondContact O-N 3.44Å; T33-W35 VanDerWaalsContact C-N 3.28Å; T33-W35 PolarHBondContact O-N 2.88Å; W35-Q37 VanDerWaalsContact C-N 3.34Å; W35-Q37 PolarHBondContact O-N 3.37Å; W35-V38 PolarHBondContact O-N 3.42Å; W35-E39 VanDerWaalsContact O-CB 3.28Å; W35-E39 WeakPolarHBondContact O-CB 3.15Å; W35-E39 PolarHBondContact O-N 3.13Å; W35-F110 AromaticContact CD1-CD2 3.55Å; W35-F110 AromaticContact CD1-CE2 3.13Å; W35-F110 AromaticContact CD1-CZ 3.82Å; W35-F110 HydrophobicContact CD2-CE2 4.2Å; W35-F110 AromaticContact CE2-CE2 3.66Å; W35-F110 AromaticContact CE2-CZ 3.57Å; W35-F110 AromaticContact CG-CE2 3.91Å; W35-F110 HydrophobicContact CG-CE2 3.91Å; W35-F110 HydrophobicContact CZ2-CE2 4.42Å; W35-F110 AromaticContact CZ2-CZ 3.9Å; W35-F110 HydrophobicContact CZ2-CZ 3.9Å; W35-F110 AromaticContact NE1-CD2 3.67Å; W35-F110 AromaticContact NE1-CE1 3.95Å; W35-F110 AromaticContact NE1-CE2 2.96Å; W35-F110 AromaticContact NE1-CZ 3.1Å
36R68.1Low64Low137 Ų13790.1 Ų90.152%0.51745%0.445SS..Hα-helixtrans-60.2-40.9175.6-82.2-79.9179.1-178.9-1.3112.7F32 T33 T40F32-R36 WeakPolarHBondContact O-CG 3.24Å; F32-R36 PolarHBondContact O-N 3.07Å; T33-R36 PolarHBondContact O-N 2.89Å; R36-T40 VanDerWaalsContact O-CG2 3.31Å; R36-T40 WeakPolarHBondContact O-CG2 3.2Å; R36-T40 PolarHBondContact O-N 3.28Å; R36-T40 VanDerWaalsContact O-N 3.08Å; R36-T40 PolarHBondContact O-OG1 2.9Å
37Q68.5Low64.6Low104 Ų10494 Ų9449%0.48645%0.454SS..Hα-helixtrans-65-42.7179.1-74.7-172.76.400112.1T33 L34 W35 T40 K41T33-Q37 WeakPolarHBondContact O-CG 3.29Å; T33-Q37 PolarHBondContact O-N 3.27Å; L34-Q37 PolarHBondContact O-N 2.84Å; W35-Q37 VanDerWaalsContact C-N 3.34Å; W35-Q37 PolarHBondContact O-N 3.37Å; Q37-T40 PolarHBondContact O-OG1 3.18Å; Q37-K41 WeakPolarHBondContact O-CG 3.17Å; Q37-K41 PolarHBondContact O-N 3.07Å; Q37-K41 VanDerWaalsContact O-N 3.14Å
38V63.1Low65.6Low27 Ų2797.3 Ų97.316%0.16446%0.461CS..Hα-helixtrans-76.2-35.5-179.6179.20000111.9L34 W35 T40 K41 V42 Y106L34-V38 PolarHBondContact O-N 3.06Å; L34-V38 VanDerWaalsContact O-N 3.1Å; W35-V38 PolarHBondContact O-N 3.42Å; V38-T40 VanDerWaalsContact C-N 3.28Å; V38-T40 PolarHBondContact O-N 3.41Å; V38-K41 PolarHBondContact O-N 2.78Å; V38-V42 HydrophobicContact CG1-CG2 4.13Å; V38-V42 WeakPolarHBondContact O-CG2 3.43Å; V38-V42 PolarHBondContact O-N 2.95Å; V38-Y106 HydrophobicContact CB-CD1 4.47Å; V38-Y106 HydrophobicContact CB-CE1 3.63Å; V38-Y106 HydrophobicContact CB-CE2 4.01Å; V38-Y106 WeakPolarHBondContact CB-OH 3.33Å; V38-Y106 HydrophobicContact CG1-CD1 3.61Å; V38-Y106 HydrophobicContact CG1-CD2 4.17Å; V38-Y106 HydrophobicContact CG1-CE1 3.22Å; V38-Y106 HydrophobicContact CG1-CE2 3.84Å; V38-Y106 HydrophobicContact CG1-CG 4.07Å; V38-Y106 HydrophobicContact CG2-CD2 4.5Å; V38-Y106 HydrophobicContact CG2-CE1 4.14Å; V38-Y106 HydrophobicContact CG2-CE2 3.57Å; V38-Y106 WeakPolarHBondContact CG2-OH 3.4Å
39E63.6Low66.1Low50 Ų5099 Ų9923%0.23447%0.468CS..Hα-helixtrans-59.1-40.9174.2-167.5-177.9-159.800111.9W35 R43W35-E39 VanDerWaalsContact O-CB 3.28Å; W35-E39 WeakPolarHBondContact O-CB 3.15Å; W35-E39 PolarHBondContact O-N 3.13Å; E39-R43 WeakPolarHBondContact O-CB 3.46Å; E39-R43 VanDerWaalsContact O-CG 3.24Å; E39-R43 WeakPolarHBondContact O-CG 3.42Å; E39-R43 PolarHBondContact O-N 3.27Å; E39-R43 IonicContact OE1-CZ 3.51Å; E39-R43 IonicContact OE1-NE 3.53Å; E39-R43 IonicContact OE1-NH2 2.64Å; E39-R43 PolarHBondContact OE1-NH2 2.99Å; E39-R43 IonicContact OE2-NH2 3.38Å; E39-R43 PolarHBondContact OE2-NH2 3.31Å
40T70.5Confident66Low82 Ų82101.5 Ų101.550%0.50348%0.478SS..Hα-helixtrans-68.7-41176.252.30000112.4R36 Q37 V38 R43 A44R36-T40 VanDerWaalsContact O-CG2 3.31Å; R36-T40 WeakPolarHBondContact O-CG2 3.2Å; R36-T40 PolarHBondContact O-N 3.28Å; R36-T40 VanDerWaalsContact O-N 3.08Å; R36-T40 PolarHBondContact O-OG1 2.9Å; Q37-T40 PolarHBondContact O-OG1 3.18Å; V38-T40 VanDerWaalsContact C-N 3.28Å; V38-T40 PolarHBondContact O-N 3.41Å; T40-R43 PolarHBondContact O-N 3.29Å; T40-A44 VanDerWaalsContact O-CB 3.31Å; T40-A44 WeakPolarHBondContact O-CB 3.33Å; T40-A44 PolarHBondContact O-N 2.88Å
41K75.3Confident65.8Low147 Ų147100.9 Ų100.964%0.63948%0.477SS*.Hα-helixtrans-60.3-47174.5-76.1-179.1178.5179.60112.1Q37 V38 A44 K45Q37-K41 WeakPolarHBondContact O-CG 3.17Å; Q37-K41 PolarHBondContact O-N 3.07Å; Q37-K41 VanDerWaalsContact O-N 3.14Å; V38-K41 PolarHBondContact O-N 2.78Å; K41-A44 PolarHBondContact O-N 3.38Å; K41-K45 WeakPolarHBondContact O-CB 3.38Å; K41-K45 PolarHBondContact O-N 3.08Å
42V65.1Low65.5Low52 Ų52101 Ų10132%0.31548%0.483SS..Hα-helixtrans-64.5-45.4178.9171.50000111V38 A44 K45 I46V38-V42 HydrophobicContact CG1-CG2 4.13Å; V38-V42 WeakPolarHBondContact O-CG2 3.43Å; V38-V42 PolarHBondContact O-N 2.95Å; V42-A44 VanDerWaalsContact C-N 3.33Å; V42-A44 PolarHBondContact O-N 3.14Å; V42-K45 PolarHBondContact O-N 3.38Å; V42-I46 HydrophobicContact CG1-CD1 3.8Å; V42-I46 HydrophobicContact CG1-CG1 4.43Å; V42-I46 WeakPolarHBondContact O-CG1 3.44Å; V42-I46 PolarHBondContact O-N 2.89Å
43R64.4Low65.1Low118 Ų118100.5 Ų100.545%0.44549%0.489SS..Hα-helixtrans-61.6-40.2175.7-73.4-179.7-157.9-170.24.5112.2E39 T40 K45 R47E39-R43 WeakPolarHBondContact O-CB 3.46Å; E39-R43 VanDerWaalsContact O-CG 3.24Å; E39-R43 WeakPolarHBondContact O-CG 3.42Å; E39-R43 PolarHBondContact O-N 3.27Å; E39-R43 IonicContact OE1-CZ 3.51Å; E39-R43 IonicContact OE1-NE 3.53Å; E39-R43 IonicContact OE1-NH2 2.64Å; E39-R43 PolarHBondContact OE1-NH2 2.99Å; E39-R43 IonicContact OE2-NH2 3.38Å; E39-R43 PolarHBondContact OE2-NH2 3.31Å; T40-R43 PolarHBondContact O-N 3.29Å; R43-K45 VanDerWaalsContact C-N 3.34Å; R43-R47 WeakPolarHBondContact O-CB 3.49Å; R43-R47 VanDerWaalsContact O-CG 3.29Å; R43-R47 WeakPolarHBondContact O-CG 3.3Å; R43-R47 PolarHBondContact O-N 3Å
44A70.1Confident64.2Low47 Ų47105.6 Ų105.639%0.38851%0.505SS..Hα-helixtrans-63.9-41176.700000111.3T40 K41 V42 R47 K48T40-A44 VanDerWaalsContact O-CB 3.31Å; T40-A44 WeakPolarHBondContact O-CB 3.33Å; T40-A44 PolarHBondContact O-N 2.88Å; K41-A44 PolarHBondContact O-N 3.38Å; V42-A44 VanDerWaalsContact C-N 3.33Å; V42-A44 PolarHBondContact O-N 3.14Å; A44-R47 PolarHBondContact O-N 2.81Å; A44-K48 WeakPolarHBondContact O-CG 3.49Å; A44-K48 PolarHBondContact O-N 3.45Å
45K69Low63.4Low107 Ų107106.1 Ų106.147%0.46551%0.512SS..Hα-helixtrans-66.7-43.6177.7-153.7158-175.81760111.8K41 V42 R43 R47 K48 M49 D99K41-K45 WeakPolarHBondContact O-CB 3.38Å; K41-K45 PolarHBondContact O-N 3.08Å; V42-K45 PolarHBondContact O-N 3.38Å; R43-K45 VanDerWaalsContact C-N 3.34Å; K45-R47 PolarHBondContact O-N 2.64Å; K45-K48 PolarHBondContact O-N 3.29Å; K45-M49 WeakPolarHBondContact O-CB 3.23Å; K45-M49 PolarHBondContact O-N 3.21Å; K45-D99 WeakPolarHBondContact CD-OD2 3.34Å; K45-D99 VanDerWaalsContact CE-CG 3.41Å; K45-D99 VanDerWaalsContact CE-OD1 3.31Å; K45-D99 WeakPolarHBondContact CE-OD1 3.46Å; K45-D99 WeakPolarHBondContact CE-OD2 3.44Å; K45-D99 IonicContact NZ-OD1 3.27Å; K45-D99 PolarHBondContact NZ-OD1 3.04Å; K45-D99 IonicContact NZ-OD2 3.5Å; K45-D99 PolarHBondContact NZ-OD2 3.31Å
46I65.2Low62.5Low79 Ų79109.2 Ų109.241%0.40554%0.535SS..Hα-helixtrans-59.6-43.2172.5-68.1167.6000111.6V42 M49 K50V42-I46 HydrophobicContact CG1-CD1 3.8Å; V42-I46 HydrophobicContact CG1-CG1 4.43Å; V42-I46 WeakPolarHBondContact O-CG1 3.44Å; V42-I46 PolarHBondContact O-N 2.89Å; I46-M49 PolarHBondContact O-N 2.92Å; I46-K50 HydrophobicContact CG2-CD 4.35Å; I46-K50 WeakPolarHBondContact O-CB 3.12Å; I46-K50 WeakPolarHBondContact O-CG 3.31Å; I46-K50 PolarHBondContact O-N 3.41Å
47R67.8Low62Low177 Ų177113.8 Ų113.867%0.66855%0.552SS**Hα-helixtrans-65.1-43.8177.6-76.5175178.9-177.6-1.3111.8R43 A44 K45 M49 K50 V51R43-R47 WeakPolarHBondContact O-CB 3.49Å; R43-R47 VanDerWaalsContact O-CG 3.29Å; R43-R47 WeakPolarHBondContact O-CG 3.3Å; R43-R47 PolarHBondContact O-N 3Å; A44-R47 PolarHBondContact O-N 2.81Å; K45-R47 PolarHBondContact O-N 2.64Å; R47-M49 VanDerWaalsContact C-N 3.35Å; R47-K50 PolarHBondContact O-N 2.96Å; R47-V51 VanDerWaalsContact O-CG2 3.3Å; R47-V51 WeakPolarHBondContact O-CG2 3.31Å; R47-V51 PolarHBondContact O-N 3.05Å
48K71.8Confident61.4Low155 Ų155117.3 Ų117.367%0.67457%0.568SS**Hα-helixtrans-59.4-47175.1-77.8-176.1177.9-173.80111A44 K45 K50 V51 T52A44-K48 WeakPolarHBondContact O-CG 3.49Å; A44-K48 PolarHBondContact O-N 3.45Å; K45-K48 PolarHBondContact O-N 3.29Å; K48-K50 PolarHBondContact O-N 2.91Å; K48-V51 PolarHBondContact O-N 2.91Å; K48-V51 VanDerWaalsContact O-N 3.13Å; K48-T52 WeakPolarHBondContact O-CG2 3.49Å; K48-T52 PolarHBondContact O-N 3.42Å; K48-T52 PolarHBondContact O-OG1 3.17Å; K48-T52 VanDerWaalsContact O-OG1 3.06Å
49M61.8Low61.1Low125 Ų125122.3 Ų122.362%0.61659%0.594SS**Hα-helixtrans-61.1-42.8177.8-160.8156.873.400112K45 I46 R47 V51 T52 T53K45-M49 WeakPolarHBondContact O-CB 3.23Å; K45-M49 PolarHBondContact O-N 3.21Å; I46-M49 PolarHBondContact O-N 2.92Å; R47-M49 VanDerWaalsContact C-N 3.35Å; M49-V51 VanDerWaalsContact C-N 3.34Å; M49-V51 PolarHBondContact O-N 3.22Å; M49-T52 WeakPolarHBondContact CA-OG1 3.43Å; M49-T52 PolarHBondContact O-OG1 2.92Å; M49-T53 WeakPolarHBondContact O-CB 3.31Å; M49-T53 PolarHBondContact O-N 3.35Å; M49-T53 PolarHBondContact O-OG1 3.44Å
50K60.6Low60.9Low152 Ų152129.9 Ų129.966%0.66163%0.626SS**Hα-helixtrans-62.9-36.9173.5-77-177.2177-174.70113.3I46 R47 K48 K54I46-K50 HydrophobicContact CG2-CD 4.35Å; I46-K50 WeakPolarHBondContact O-CB 3.12Å; I46-K50 WeakPolarHBondContact O-CG 3.31Å; I46-K50 PolarHBondContact O-N 3.41Å; R47-K50 PolarHBondContact O-N 2.96Å; K48-K50 PolarHBondContact O-N 2.91Å; K50-K54 PolarHBondContact O-N 3.43Å
51V55.2Low60.1Low92 Ų92133.5 Ų133.556%0.55864%0.641SS**Hα-helixtrans-72.1-45.4179.2168.30000110.9R47 K48 M49 T53 K54 V55R47-V51 VanDerWaalsContact O-CG2 3.3Å; R47-V51 WeakPolarHBondContact O-CG2 3.31Å; R47-V51 PolarHBondContact O-N 3.05Å; K48-V51 PolarHBondContact O-N 2.91Å; K48-V51 VanDerWaalsContact O-N 3.13Å; M49-V51 VanDerWaalsContact C-N 3.34Å; M49-V51 PolarHBondContact O-N 3.22Å; V51-T53 VanDerWaalsContact C-N 3.32Å; V51-T53 PolarHBondContact O-N 2.86Å; V51-K54 PolarHBondContact O-N 3.46Å; V51-K54 VanDerWaalsContact O-N 3.07Å; V51-V55 WeakPolarHBondContact O-CG2 3.44Å; V51-V55 PolarHBondContact O-N 2.94Å
52T53.1Low59.1Low92 Ų92133.6 Ų133.656%0.56465%0.648SS**Hα-helixtrans-63.9-37.5177.6500000112K48 M49 K54 V55K48-T52 WeakPolarHBondContact O-CG2 3.49Å; K48-T52 PolarHBondContact O-N 3.42Å; K48-T52 PolarHBondContact O-OG1 3.17Å; K48-T52 VanDerWaalsContact O-OG1 3.06Å; M49-T52 WeakPolarHBondContact CA-OG1 3.43Å; M49-T52 PolarHBondContact O-OG1 2.92Å; T52-K54 VanDerWaalsContact C-N 3.27Å; T52-K54 PolarHBondContact O-N 3.33Å; T52-V55 PolarHBondContact O-N 2.93Å
53T50.6Low58.5Low110 Ų110134.7 Ų134.768%0.67567%0.67SS**Hα-helixtrans-65.2-29.4173.8-560000112.6M49 V51M49-T53 WeakPolarHBondContact O-CB 3.31Å; M49-T53 PolarHBondContact O-N 3.35Å; M49-T53 PolarHBondContact O-OG1 3.44Å; V51-T53 VanDerWaalsContact C-N 3.32Å; V51-T53 PolarHBondContact O-N 2.86Å
54K54.1Low57.7Low185 Ų185139 Ų13980%0.80469%0.692SS**Hα-helixtrans-80-20.3178-159.7177.5-179.9-176.50113.3K50 V51 T52K50-K54 PolarHBondContact O-N 3.43Å; V51-K54 PolarHBondContact O-N 3.46Å; V51-K54 VanDerWaalsContact O-N 3.07Å; T52-K54 VanDerWaalsContact C-N 3.27Å; T52-K54 PolarHBondContact O-N 3.33Å
55V48Very low56.9Low109 Ų109148.8 Ų148.866%0.66172%0.719SS**Hα-helixtrans-83.6-12.5-177.11720000113V51 T52 R57V51-V55 WeakPolarHBondContact O-CG2 3.44Å; V51-V55 PolarHBondContact O-N 2.94Å; T52-V55 PolarHBondContact O-N 2.93Å; V55-R57 VanDerWaalsContact C-N 3.32Å; V55-R57 PolarHBondContact O-N 3.19Å
56N47.3Very low56Low147 Ų147147.8 Ų147.879%0.78671%0.714SS**  trans-88.959.7-179.2-156.63.5000113.6
57R56.3Low56Low233 Ų233149.5 Ų149.588%0.87973%0.728SS**  trans-135.884.6166.2-143.2-179.8-156.5175.55.6108.2V55V55-R57 VanDerWaalsContact C-N 3.32Å; V55-R57 PolarHBondContact O-N 3.19Å
58H56.1Low55.6Low177 Ų177145 Ų14582%0.81973%0.729SS**  trans-100.9134.4176.8-131.3-69.9000110.8
59D57.2Low55.1Low133 Ų133146 Ų14671%0.71173%0.734SS**  trans-67.1153.1-159.6-67.8-59.1000117I61D59-I61 PolarHBondContact O-N 3.42Å
60K60.1Low55Low209 Ų209143.6 Ų143.691%0.90972%0.721SS**  trans-64.9109167.1-75.1176.4175.9177.30109.2
61I52.1Low55Low158 Ų158140.9 Ų140.981%0.8171%0.71SS**  trans-93.9113.4169.2-62.6175000109.3D59D59-I61 PolarHBondContact O-N 3.42Å
62N55.5Low55.4Low149 Ų149142.6 Ų142.680%0.79772%0.716SS**  trans-85.7144.7172.246.8-7.5000111.3
63G51.6Low55.9Low75 Ų75147.6 Ų147.677%0.77372%0.724SS**  trans115.9110.6147.500000119.8
64K47.5Very low56.6Low209 Ų209146.6 Ų146.691%0.90971%0.71SS**  trans87.9145.1144.8-67-178.8178.41770121.1
65R54.3Low56.9Low252 Ų252142.6 Ų142.695%0.95170%0.697SS**  trans-60144.9-157-66.6172.8174.2144.8-2.8114.2
66K49.8Very low57.4Low86 Ų86140 Ų14037%0.37468%0.684SS.*  trans-127.9144.4178.3-59.4177.9-172.3164.30111.4E70 H71 K74K66-E70 HydrophobicContact CB-CB 4.32Å; K66-E70 WeakPolarHBondContact CB-OE2 3.37Å; K66-E70 HydrophobicContact CD-CG 4.29Å; K66-E70 VanDerWaalsContact CD-OE1 3.31Å; K66-E70 WeakPolarHBondContact CD-OE1 3.49Å; K66-E70 WeakPolarHBondContact CG-OE2 3.4Å; K66-H71 WeakPolarHBondContact CB-NE2 3.29Å; K66-H71 PolarHBondContact O-CD2 3.43Å; K66-H71 PolarHBondContact O-NE2 3.07Å; K66-K74 HydrophobicContact CD-CD 3.71Å
67T64.6Low58.2Low114 Ų114139.4 Ų139.470%0.69968%0.678SS**  trans-76.6152.4174.5-1.70000110.6K69 E70 H71T67-K69 VanDerWaalsContact C-N 3.26Å; T67-K69 PolarHBondContact O-N 3.48Å; T67-E70 WeakPolarHBondContact O-CB 3.42Å; T67-E70 PolarHBondContact O-N 3.19Å; T67-H71 PolarHBondContact O-N 3.01Å
68A59.9Low58.6Low82 Ų82135.4 Ų135.468%0.67867%0.667SS**Hα-helixtrans-53.2-33.7-170.500000115.3H71 L72A68-H71 PolarHBondContact O-N 3.04Å; A68-L72 PolarHBondContact O-N 3.32Å; A68-L72 VanDerWaalsContact O-N 3.16Å
69K61.8Low58.9Low178 Ų178133.9 Ų133.977%0.77466%0.661SS**Hα-helixtrans-70-32.7177.9-168.1174.4-176.2175.50113.3T67 R73T67-K69 VanDerWaalsContact C-N 3.26Å; T67-K69 PolarHBondContact O-N 3.48Å; K69-R73 PolarHBondContact O-N 2.74Å
70E60.1Low58.9Low73 Ų73136.1 Ų136.134%0.34166%0.659SS.*Hα-helixtrans-76-34.1177-165.3-165.6156.300111K66 T67 K74K66-E70 HydrophobicContact CB-CB 4.32Å; K66-E70 WeakPolarHBondContact CB-OE2 3.37Å; K66-E70 HydrophobicContact CD-CG 4.29Å; K66-E70 VanDerWaalsContact CD-OE1 3.31Å; K66-E70 WeakPolarHBondContact CD-OE1 3.49Å; K66-E70 WeakPolarHBondContact CG-OE2 3.4Å; T67-E70 WeakPolarHBondContact O-CB 3.42Å; T67-E70 PolarHBondContact O-N 3.19Å; E70-K74 HydrophobicContact CG-CD 4.35Å; E70-K74 VanDerWaalsContact O-CB 3.3Å; E70-K74 WeakPolarHBondContact O-CB 3.41Å; E70-K74 VanDerWaalsContact O-CG 3.28Å; E70-K74 WeakPolarHBondContact O-CG 3.45Å; E70-K74 PolarHBondContact O-N 3.4Å; E70-K74 VanDerWaalsContact OE1-CE 3.28Å; E70-K74 WeakPolarHBondContact OE1-CE 3.35Å; E70-K74 IonicContact OE1-NZ 2.57Å; E70-K74 PolarHBondContact OE1-NZ 3.46Å
71H59.9Low59Low96 Ų96130.8 Ų130.844%0.44464%0.637SS.*Hα-helixtrans-61.5-43170.8-85.8-79.6000111.9K66 T67 A68 K74 L75K66-H71 WeakPolarHBondContact CB-NE2 3.29Å; K66-H71 PolarHBondContact O-CD2 3.43Å; K66-H71 PolarHBondContact O-NE2 3.07Å; T67-H71 PolarHBondContact O-N 3.01Å; A68-H71 PolarHBondContact O-N 3.04Å; H71-K74 PolarHBondContact O-N 2.95Å; H71-L75 WeakPolarHBondContact O-CB 3.42Å; H71-L75 VanDerWaalsContact O-CG 3.31Å; H71-L75 WeakPolarHBondContact O-CG 3.09Å; H71-L75 PolarHBondContact O-N 3.31Å
72L62.8Low58.6Low128 Ų128128.5 Ų128.567%0.6762%0.623SS**Hα-helixtrans-65.1-45178.7-13582.4000112.5A68 K74 L75 S76A68-L72 PolarHBondContact O-N 3.32Å; A68-L72 VanDerWaalsContact O-N 3.16Å; L72-K74 VanDerWaalsContact C-N 3.32Å; L72-K74 PolarHBondContact O-N 2.91Å; L72-L75 PolarHBondContact O-N 3.27Å; L72-S76 PolarHBondContact O-N 3.27Å
73R64.4Low58.7Low196 Ų196122.7 Ų122.774%0.7460%0.598SS**Hα-helixtrans-63.8-36.8174.5-94.5-172.3172.7-140.3-0.6112.5K69 M77K69-R73 PolarHBondContact O-N 2.74Å; R73-M77 WeakPolarHBondContact O-CB 3.16Å; R73-M77 VanDerWaalsContact O-CG 3.24Å; R73-M77 WeakPolarHBondContact O-CG 3.39Å; R73-M77 PolarHBondContact O-N 2.93Å
74K66.1Low58.8Low89 Ų89124.5 Ų124.539%0.38759%0.587SS.*Hα-helixtrans-71-36.2176.7-77.1-177.8179.4175.90112.5K66 E70 H71 L72 K78K66-K74 HydrophobicContact CD-CD 3.71Å; E70-K74 HydrophobicContact CG-CD 4.35Å; E70-K74 VanDerWaalsContact O-CB 3.3Å; E70-K74 WeakPolarHBondContact O-CB 3.41Å; E70-K74 VanDerWaalsContact O-CG 3.28Å; E70-K74 WeakPolarHBondContact O-CG 3.45Å; E70-K74 PolarHBondContact O-N 3.4Å; E70-K74 VanDerWaalsContact OE1-CE 3.28Å; E70-K74 WeakPolarHBondContact OE1-CE 3.35Å; E70-K74 IonicContact OE1-NZ 2.57Å; E70-K74 PolarHBondContact OE1-NZ 3.46Å; H71-K74 PolarHBondContact O-N 2.95Å; L72-K74 VanDerWaalsContact C-N 3.32Å; L72-K74 PolarHBondContact O-N 2.91Å; K74-K78 WeakPolarHBondContact O-CB 3.09Å; K74-K78 PolarHBondContact O-N 2.94Å
75L59.6Low59.3Low101 Ų101119.9 Ų119.953%0.52957%0.566SS.*Hα-helixtrans-62.6-47.8172.1-74.9164.3000110.6H71 L72 M77 K78 E79H71-L75 WeakPolarHBondContact O-CB 3.42Å; H71-L75 VanDerWaalsContact O-CG 3.31Å; H71-L75 WeakPolarHBondContact O-CG 3.09Å; H71-L75 PolarHBondContact O-N 3.31Å; L72-L75 PolarHBondContact O-N 3.27Å; L75-M77 PolarHBondContact O-N 3.02Å; L75-K78 CarbonylContact O-C 3.6Å; L75-K78 PolarHBondContact O-N 3.1Å; L75-K78 VanDerWaalsContact O-N 3.12Å; L75-E79 WeakPolarHBondContact O-CG 3.35Å; L75-E79 PolarHBondContact O-N 3.02Å
76S59.4Low59.2Low56 Ų56113.2 Ų113.239%0.39255%0.546SS..Hα-helixtrans-61.2-43.3178173.10000113.9L72 K78 R80L72-S76 PolarHBondContact O-N 3.27Å; S76-K78 VanDerWaalsContact C-N 3.31Å; S76-R80 PolarHBondContact O-N 3.36Å; S76-R80 VanDerWaalsContact O-N 3.13Å
77M63.2Low59.6Low133 Ų133118.3 Ų118.366%0.65556%0.563SS**Hα-helixtrans-65.1-37.1175-71.9-82.9-72.500111.6R73 L75 R80 E81R73-M77 WeakPolarHBondContact O-CB 3.16Å; R73-M77 VanDerWaalsContact O-CG 3.24Å; R73-M77 WeakPolarHBondContact O-CG 3.39Å; R73-M77 PolarHBondContact O-N 2.93Å; L75-M77 PolarHBondContact O-N 3.02Å; M77-R80 PolarHBondContact O-N 3.43Å; M77-E81 WeakPolarHBondContact O-CB 3.21Å; M77-E81 PolarHBondContact O-N 3.08Å
78K64.8Low58.9Low150 Ų150119 Ų11965%0.65256%0.558SS**Hα-helixtrans-75.6-32.5-178.3-158.9174.2-168.6-172.90112.4K74 L75 S76 H82K74-K78 WeakPolarHBondContact O-CB 3.09Å; K74-K78 PolarHBondContact O-N 2.94Å; L75-K78 CarbonylContact O-C 3.6Å; L75-K78 PolarHBondContact O-N 3.1Å; L75-K78 VanDerWaalsContact O-N 3.12Å; S76-K78 VanDerWaalsContact C-N 3.31Å; K78-H82 VanDerWaalsContact O-CB 3.24Å; K78-H82 WeakPolarHBondContact O-CB 3.28Å; K78-H82 PolarHBondContact O-N 2.99Å
79E61.5Low58.1Low145 Ų145119.6 Ų119.668%0.67855%0.553SS**Hα-helixtrans-68-39.9170.8-75.7178.8148.700111.5L75 H82 G83L75-E79 WeakPolarHBondContact O-CG 3.35Å; L75-E79 PolarHBondContact O-N 3.02Å; E79-H82 PolarHBondContact O-N 2.9Å; E79-G83 PolarHBondContact O-N 2.64Å
80R58Low57.9Low179 Ų179114.5 Ų114.568%0.67554%0.54SS*.Hα-helixtrans-64.6-47.1172.3-94-173.3157.189-0.2112.5S76 M77 H82 G83 E84S76-R80 PolarHBondContact O-N 3.36Å; S76-R80 VanDerWaalsContact O-N 3.13Å; M77-R80 PolarHBondContact O-N 3.43Å; R80-H82 VanDerWaalsContact C-N 3.29Å; R80-H82 PolarHBondContact O-N 3.34Å; R80-G83 PolarHBondContact O-N 2.94Å; R80-E84 WeakPolarHBondContact O-CG 3.39Å; R80-E84 PolarHBondContact O-N 3.36Å
81E61.5Low57.5Low98 Ų98117 Ų11746%0.45855%0.552SS.*Hα-helixtrans-62.3-36.3175.3-92.5-165.3104.600112.4M77 K85M77-E81 WeakPolarHBondContact O-CB 3.21Å; M77-E81 PolarHBondContact O-N 3.08Å; E81-K85 VanDerWaalsContact O-CB 3.29Å; E81-K85 WeakPolarHBondContact O-CB 3.46Å; E81-K85 WeakPolarHBondContact O-CD 3.28Å; E81-K85 WeakPolarHBondContact O-CG 3.33Å; E81-K85 PolarHBondContact O-N 2.92Å; E81-K85 IonicContact OE1-NZ 3.67Å; E81-K85 PolarHBondContact OE1-NZ 3.34Å
82H45.1Very low56.9Low110 Ų110115.3 Ų115.351%0.50956%0.555SS.*Hα-helixtrans-67.8-46.1177.5-168.8-83.9000111K78 E79 R80 E84 K85 E86K78-H82 VanDerWaalsContact O-CB 3.24Å; K78-H82 WeakPolarHBondContact O-CB 3.28Å; K78-H82 PolarHBondContact O-N 2.99Å; E79-H82 PolarHBondContact O-N 2.9Å; R80-H82 VanDerWaalsContact C-N 3.29Å; R80-H82 PolarHBondContact O-N 3.34Å; H82-E84 VanDerWaalsContact C-N 3.35Å; H82-E84 PolarHBondContact O-N 3.41Å; H82-K85 PolarHBondContact O-N 3.47Å; H82-E86 IonicContact CE1-OE1 2.8Å; H82-E86 IonicContact CE1-OE2 3.24Å; H82-E86 IonicContact ND1-OE2 2.74Å; H82-E86 PolarHBondContact ND1-OE2 3.45Å; H82-E86 PolarHBondContact O-N 3.23Å
83G56.6Low56.4Low27 Ų27115.1 Ų115.128%0.27855%0.551SS.*Hα-helixtrans-65.2-34.8177.900000113.5E79 R80 R87E79-G83 PolarHBondContact O-N 2.64Å; R80-G83 PolarHBondContact O-N 2.94Å; G83-R87 WeakPolarHBondContact O-CB 3.3Å; G83-R87 WeakPolarHBondContact O-CG 3.15Å; G83-R87 PolarHBondContact O-N 3.43Å
84E54.8Low55.6Low113 Ų113112 Ų11253%0.52854%0.544SS..Hα-helixtrans-71.5-37.6173.1-75.4179.2176.300112.4R80 H82 R87 Q88R80-E84 WeakPolarHBondContact O-CG 3.39Å; R80-E84 PolarHBondContact O-N 3.36Å; H82-E84 VanDerWaalsContact C-N 3.35Å; H82-E84 PolarHBondContact O-N 3.41Å; E84-R87 PolarHBondContact O-N 3.06Å; E84-Q88 WeakPolarHBondContact O-CB 3.24Å; E84-Q88 WeakPolarHBondContact O-CG 3.37Å; E84-Q88 PolarHBondContact O-N 3.47Å
85K56.1Low54.7Low111 Ų111112.5 Ų112.548%0.48355%0.551SS.*Hα-helixtrans-67.3-41174.5-75.3165.7-169.3162.10111.6E81 H82 Q88 V89E81-K85 VanDerWaalsContact O-CB 3.29Å; E81-K85 WeakPolarHBondContact O-CB 3.46Å; E81-K85 WeakPolarHBondContact O-CD 3.28Å; E81-K85 WeakPolarHBondContact O-CG 3.33Å; E81-K85 PolarHBondContact O-N 2.92Å; E81-K85 IonicContact OE1-NZ 3.67Å; E81-K85 PolarHBondContact OE1-NZ 3.34Å; H82-K85 PolarHBondContact O-N 3.47Å; K85-Q88 PolarHBondContact O-N 3.28Å; K85-V89 WeakPolarHBondContact O-CB 3.32Å; K85-V89 WeakPolarHBondContact O-CG2 3.26Å; K85-V89 PolarHBondContact O-N 3.48Å
86E52.3Low54.2Low113 Ų113109.3 Ų109.353%0.52854%0.543SS..Hα-helixtrans-63.7-43.6173.6-81.6-173.7136.800111.8H82 Q88 V89 S90H82-E86 IonicContact CE1-OE1 2.8Å; H82-E86 IonicContact CE1-OE2 3.24Å; H82-E86 IonicContact ND1-OE2 2.74Å; H82-E86 PolarHBondContact ND1-OE2 3.45Å; H82-E86 PolarHBondContact O-N 3.23Å; E86-Q88 PolarHBondContact O-N 3.23Å; E86-V89 PolarHBondContact O-N 3.44Å; E86-S90 PolarHBondContact O-N 2.91Å; E86-S90 PolarHBondContact O-OG 3.29Å; E86-S90 VanDerWaalsContact O-OG 3.07Å
87R58.8Low53.6Low193 Ų193113.3 Ų113.373%0.72855%0.553SS**Hα-helixtrans-60.5-45.9174.2-80.3179.6179.9168.9-0112.6G83 E84 V89 S90 E91G83-R87 WeakPolarHBondContact O-CB 3.3Å; G83-R87 WeakPolarHBondContact O-CG 3.15Å; G83-R87 PolarHBondContact O-N 3.43Å; E84-R87 PolarHBondContact O-N 3.06Å; R87-V89 VanDerWaalsContact C-N 3.33Å; R87-V89 PolarHBondContact O-N 3.23Å; R87-S90 PolarHBondContact O-N 3.14Å; R87-E91 WeakPolarHBondContact O-CB 3.49Å; R87-E91 PolarHBondContact O-N 3.46Å
88Q49.9Very low52.8Low128 Ų128112.2 Ų112.260%0.59855%0.549SS*.Hα-helixtrans-64.9-35.4177.2-75.1179.633.900112.7E84 K85 E86 A92E84-Q88 WeakPolarHBondContact O-CB 3.24Å; E84-Q88 WeakPolarHBondContact O-CG 3.37Å; E84-Q88 PolarHBondContact O-N 3.47Å; K85-Q88 PolarHBondContact O-N 3.28Å; E86-Q88 PolarHBondContact O-N 3.23Å; Q88-A92 WeakPolarHBondContact O-CB 3.43Å; Q88-A92 PolarHBondContact O-N 3.08Å
89V43.4Very low52.3Low94 Ų94106.5 Ų106.557%0.5753%0.526SS*.Hα-helixtrans-68.2-43.3175.4169.30000110.7K85 E86 R87 A92 E93K85-V89 WeakPolarHBondContact O-CB 3.32Å; K85-V89 WeakPolarHBondContact O-CG2 3.26Å; K85-V89 PolarHBondContact O-N 3.48Å; E86-V89 PolarHBondContact O-N 3.44Å; R87-V89 VanDerWaalsContact C-N 3.33Å; R87-V89 PolarHBondContact O-N 3.23Å; V89-A92 PolarHBondContact O-N 3.07Å; V89-E93 WeakPolarHBondContact O-CB 3.31Å; V89-E93 PolarHBondContact O-N 3.33Å
90S57.3Low51.8Low72 Ų72106 Ų10650%0.50353%0.525SS..Hα-helixtrans-64.9-42.3176.9-610000112.6E86 R87 E93 E94E86-S90 PolarHBondContact O-N 2.91Å; E86-S90 PolarHBondContact O-OG 3.29Å; E86-S90 VanDerWaalsContact O-OG 3.07Å; R87-S90 PolarHBondContact O-N 3.14Å; S90-E93 PolarHBondContact O-N 3.33Å; S90-E94 PolarHBondContact O-N 3.11Å
91E51.5Low52Low124 Ų124105.1 Ų105.158%0.57953%0.526SS*.Hα-helixtrans-67-38.8177-144.9174.8-167.300110.9R87 N95R87-E91 WeakPolarHBondContact O-CB 3.49Å; R87-E91 PolarHBondContact O-N 3.46Å; E91-N95 VanDerWaalsContact O-CB 3.23Å; E91-N95 WeakPolarHBondContact O-CB 3.41Å; E91-N95 PolarHBondContact O-N 3.13Å; E91-N95 PolarHBondContact O-ND2 3.45Å
92A48.7Very low52Low62 Ų62106.8 Ų106.851%0.51253%0.534SS..Hα-helixtrans-68.3-33.4174.300000113.1Q88 V89 G96Q88-A92 WeakPolarHBondContact O-CB 3.43Å; Q88-A92 PolarHBondContact O-N 3.08Å; V89-A92 PolarHBondContact O-N 3.07Å; A92-G96 PolarHBondContact O-N 2.94Å
93E51.8Low52.7Low124 Ų124104.7 Ų104.758%0.57953%0.526SS*.Hα-helixtrans-70.1-44176.5-169.8-175.4163.600111.7V89 S90 G96 K97V89-E93 WeakPolarHBondContact O-CB 3.31Å; V89-E93 PolarHBondContact O-N 3.33Å; S90-E93 PolarHBondContact O-N 3.33Å; E93-G96 PolarHBondContact O-N 2.89Å; E93-K97 PolarHBondContact O-N 2.82Å
94E46.9Very low53Low130 Ų130108.9 Ų108.961%0.60754%0.538SS*.Hα-helixtrans-63.1-45174.5-170-177.8178.600111.2S90 G96 K97 L98S90-E94 PolarHBondContact O-N 3.11Å; E94-G96 VanDerWaalsContact C-N 3.32Å; E94-G96 PolarHBondContact O-N 3.23Å; E94-K97 WeakPolarHBondContact O-CB 3.37Å; E94-K97 PolarHBondContact O-N 2.8Å; E94-L98 PolarHBondContact O-N 3.49Å
95N47Very low53.8Low100 Ų100107.2 Ų107.254%0.53554%0.536SS..Hα-helixtrans-63.3-35175.2-74.5-42.9000112.7E91 D99E91-N95 VanDerWaalsContact O-CB 3.23Å; E91-N95 WeakPolarHBondContact O-CB 3.41Å; E91-N95 PolarHBondContact O-N 3.13Å; E91-N95 PolarHBondContact O-ND2 3.45Å; N95-D99 WeakPolarHBondContact O-CB 3.44Å; N95-D99 PolarHBondContact O-N 2.99Å; N95-D99 VanDerWaalsContact O-N 3.08Å
96G48.8Very low54Low34 Ų34105.5 Ų105.535%0.35153%0.527SS..Hα-helixtrans-70.3-31.8174.400000113.7A92 E93 E94 M100A92-G96 PolarHBondContact O-N 2.94Å; E93-G96 PolarHBondContact O-N 2.89Å; E94-G96 VanDerWaalsContact C-N 3.32Å; E94-G96 PolarHBondContact O-N 3.23Å; G96-M100 PolarHBondContact O-N 2.92Å; G96-M100 VanDerWaalsContact O-N 3.17Å
97K48.5Very low54.6Low139 Ų139104.7 Ų104.760%0.60452%0.524SS*.Hα-helixtrans-70.5-40.2174.6-117.3172.2-178.6166.10112.3E93 E94 K101E93-K97 PolarHBondContact O-N 2.82Å; E94-K97 WeakPolarHBondContact O-CB 3.37Å; E94-K97 PolarHBondContact O-N 2.8Å; K97-K101 PolarHBondContact O-N 2.93Å
98L46.3Very low55.3Low110 Ų11099.5 Ų99.558%0.57651%0.508SS*.Hα-helixtrans-68.6-40.3177-127.6151.2000110.9E94 K101 E102E94-L98 PolarHBondContact O-N 3.49Å; L98-K101 PolarHBondContact O-N 3.33Å; L98-E102 PolarHBondContact O-N 3.04Å
99D54.3Low56.2Low31 Ų3199.5 Ų99.517%0.16651%0.509CS..Hα-helixtrans-64.1-39.1176.3-169.548.8000113.2K45 N95 E102 I103K45-D99 WeakPolarHBondContact CD-OD2 3.34Å; K45-D99 VanDerWaalsContact CE-CG 3.41Å; K45-D99 VanDerWaalsContact CE-OD1 3.31Å; K45-D99 WeakPolarHBondContact CE-OD1 3.46Å; K45-D99 WeakPolarHBondContact CE-OD2 3.44Å; K45-D99 IonicContact NZ-OD1 3.27Å; K45-D99 PolarHBondContact NZ-OD1 3.04Å; K45-D99 IonicContact NZ-OD2 3.5Å; K45-D99 PolarHBondContact NZ-OD2 3.31Å; N95-D99 WeakPolarHBondContact O-CB 3.44Å; N95-D99 PolarHBondContact O-N 2.99Å; N95-D99 VanDerWaalsContact O-N 3.08Å; D99-E102 PolarHBondContact O-N 3.39Å; D99-I103 WeakPolarHBondContact O-CB 3.47Å; D99-I103 WeakPolarHBondContact O-CD1 3.43Å; D99-I103 WeakPolarHBondContact O-CG1 3.35Å; D99-I103 PolarHBondContact O-N 3.05Å
100M49.6Very low57.3Low135 Ų13597.6 Ų97.667%0.66549%0.494SS*.Hα-helixtrans-66.7-38.3177.9-93.6-153.3-74.400113.4G96 H104G96-M100 PolarHBondContact O-N 2.92Å; G96-M100 VanDerWaalsContact O-N 3.17Å; M100-H104 VanDerWaalsContact O-CB 3.28Å; M100-H104 WeakPolarHBondContact O-CB 3.25Å; M100-H104 PolarHBondContact O-N 3.41Å
101K63.4Low57.9Low159 Ų15999.5 Ų99.569%0.69149%0.494SS*.Hα-helixtrans-66.2-43.2176.3-75.7-178.1177.6179.40111K97 L98 H104 T105K97-K101 PolarHBondContact O-N 2.93Å; L98-K101 PolarHBondContact O-N 3.33Å; K101-H104 PolarHBondContact O-N 3.39Å; K101-T105 PolarHBondContact O-N 3.01Å; K101-T105 PolarHBondContact O-OG1 3.34Å; K101-T105 VanDerWaalsContact O-OG1 3.06Å
102E61Low58.8Low134 Ų134101.9 Ų101.963%0.62650%0.498SS*.Hα-helixtrans-64.2-42.6177.7-164.1177.1-179.400111.7L98 D99 H104 T105 Y106L98-E102 PolarHBondContact O-N 3.04Å; D99-E102 PolarHBondContact O-N 3.39Å; E102-H104 VanDerWaalsContact C-N 3.34Å; E102-H104 PolarHBondContact O-N 3.27Å; E102-T105 PolarHBondContact O-N 3.26Å; E102-Y106 WeakPolarHBondContact O-CB 3.44Å; E102-Y106 PolarHBondContact O-N 2.91Å
103I59.5Low59.6Low65 Ų65100.8 Ų100.833%0.33349%0.49SS..Hα-helixtrans-63.2-39.3173.6-69.5165.7000111.4D99 Y106 M107D99-I103 WeakPolarHBondContact O-CB 3.47Å; D99-I103 WeakPolarHBondContact O-CD1 3.43Å; D99-I103 WeakPolarHBondContact O-CG1 3.35Å; D99-I103 PolarHBondContact O-N 3.05Å; I103-Y106 PolarHBondContact O-N 3.39Å; I103-M107 WeakPolarHBondContact O-CB 3.39Å; I103-M107 WeakPolarHBondContact O-CG 3.49Å; I103-M107 PolarHBondContact O-N 3.33Å
104H62.8Low60.2Low116 Ų11698.3 Ų98.354%0.53748%0.478SS..Hα-helixtrans-65.5-48.2178-176.666.5000111.8M100 K101 E102 Y106 M107 E108M100-H104 VanDerWaalsContact O-CB 3.28Å; M100-H104 WeakPolarHBondContact O-CB 3.25Å; M100-H104 PolarHBondContact O-N 3.41Å; K101-H104 PolarHBondContact O-N 3.39Å; E102-H104 VanDerWaalsContact C-N 3.34Å; E102-H104 PolarHBondContact O-N 3.27Å; H104-Y106 VanDerWaalsContact C-N 3.27Å; H104-Y106 PolarHBondContact O-N 3.5Å; H104-M107 WeakPolarHBondContact O-CB 3.3Å; H104-M107 PolarHBondContact O-N 2.96Å; H104-E108 PolarHBondContact O-N 3.17Å
105T71.8Confident61.5Low77 Ų7794.3 Ų94.347%0.47247%0.467SS..Hα-helixtrans-60-39.3174.9-57.30000111.4K101 E102 E108 M109K101-T105 PolarHBondContact O-N 3.01Å; K101-T105 PolarHBondContact O-OG1 3.34Å; K101-T105 VanDerWaalsContact O-OG1 3.06Å; E102-T105 PolarHBondContact O-N 3.26Å; T105-E108 PolarHBondContact O-N 3.04Å; T105-M109 VanDerWaalsContact O-CG 3.25Å; T105-M109 WeakPolarHBondContact O-CG 3.32Å; T105-M109 PolarHBondContact O-N 3.39Å
106Y60.7Low62.7Low76 Ų7694.9 Ų94.930%0.29847%0.469SS..Hα-helixtrans-66.1-41176.1-165.2-88000112.5V38 E102 I103 H104 M109 F110V38-Y106 HydrophobicContact CB-CD1 4.47Å; V38-Y106 HydrophobicContact CB-CE1 3.63Å; V38-Y106 HydrophobicContact CB-CE2 4.01Å; V38-Y106 WeakPolarHBondContact CB-OH 3.33Å; V38-Y106 HydrophobicContact CG1-CD1 3.61Å; V38-Y106 HydrophobicContact CG1-CD2 4.17Å; V38-Y106 HydrophobicContact CG1-CE1 3.22Å; V38-Y106 HydrophobicContact CG1-CE2 3.84Å; V38-Y106 HydrophobicContact CG1-CG 4.07Å; V38-Y106 HydrophobicContact CG2-CD2 4.5Å; V38-Y106 HydrophobicContact CG2-CE1 4.14Å; V38-Y106 HydrophobicContact CG2-CE2 3.57Å; V38-Y106 WeakPolarHBondContact CG2-OH 3.4Å; E102-Y106 WeakPolarHBondContact O-CB 3.44Å; E102-Y106 PolarHBondContact O-N 2.91Å; I103-Y106 PolarHBondContact O-N 3.39Å; H104-Y106 VanDerWaalsContact C-N 3.27Å; H104-Y106 PolarHBondContact O-N 3.5Å; Y106-M109 PolarHBondContact O-N 2.74Å; Y106-F110 WeakPolarHBondContact O-CB 3.16Å; Y106-F110 PolarHBondContact O-N 2.95Å
107M63.7Low63.8Low95 Ų9599.7 Ų99.747%0.46848%0.477SS..Hα-helixtrans-61.2-41.3173.9-88.8-80.4-63.200112.3I103 H104 F110 Q111I103-M107 WeakPolarHBondContact O-CB 3.39Å; I103-M107 WeakPolarHBondContact O-CG 3.49Å; I103-M107 PolarHBondContact O-N 3.33Å; H104-M107 WeakPolarHBondContact O-CB 3.3Å; H104-M107 PolarHBondContact O-N 2.96Å; M107-F110 PolarHBondContact O-N 3.18Å; M107-Q111 VanDerWaalsContact O-CG 3.32Å; M107-Q111 WeakPolarHBondContact O-CG 3.44Å; M107-Q111 PolarHBondContact O-N 3.34Å
108E74.5Confident64.9Low85 Ų85100.6 Ų100.640%0.39748%0.477SS..Hα-helixtrans-64.8-44175.4-75.5-166.2134.700112.3H104 T105 F110 Q111 R112H104-E108 PolarHBondContact O-N 3.17Å; T105-E108 PolarHBondContact O-N 3.04Å; E108-F110 VanDerWaalsContact C-N 3.28Å; E108-F110 PolarHBondContact O-N 2.91Å; E108-Q111 PolarHBondContact O-N 2.92Å; E108-R112 WeakPolarHBondContact O-CG 3.43Å; E108-R112 PolarHBondContact O-N 3.36Å
109M68.4Low66.2Low127 Ų127104.1 Ų104.163%0.62648%0.482SS*.Hα-helixtrans-60.1-41.4175.3-69.3-104.7-101.300110.9T105 Y106 R112 A113T105-M109 VanDerWaalsContact O-CG 3.25Å; T105-M109 WeakPolarHBondContact O-CG 3.32Å; T105-M109 PolarHBondContact O-N 3.39Å; Y106-M109 PolarHBondContact O-N 2.74Å; M109-R112 PolarHBondContact O-N 3.46Å; M109-A113 WeakPolarHBondContact O-CB 3.22Å; M109-A113 PolarHBondContact O-N 3.19Å
110F66.8Low66.7Low54 Ų54105.5 Ų105.524%0.23750%0.498CS..Hα-helixtrans-65.2-42.3176.4-177.8-113.1000112.8W35 Y106 M107 E108 A113 Q114W35-F110 AromaticContact CD1-CD2 3.55Å; W35-F110 AromaticContact CD1-CE2 3.13Å; W35-F110 AromaticContact CD1-CZ 3.82Å; W35-F110 HydrophobicContact CD2-CE2 4.2Å; W35-F110 AromaticContact CE2-CE2 3.66Å; W35-F110 AromaticContact CE2-CZ 3.57Å; W35-F110 AromaticContact CG-CE2 3.91Å; W35-F110 HydrophobicContact CG-CE2 3.91Å; W35-F110 HydrophobicContact CZ2-CE2 4.42Å; W35-F110 AromaticContact CZ2-CZ 3.9Å; W35-F110 HydrophobicContact CZ2-CZ 3.9Å; W35-F110 AromaticContact NE1-CD2 3.67Å; W35-F110 AromaticContact NE1-CE1 3.95Å; W35-F110 AromaticContact NE1-CE2 2.96Å; W35-F110 AromaticContact NE1-CZ 3.1Å; Y106-F110 WeakPolarHBondContact O-CB 3.16Å; Y106-F110 PolarHBondContact O-N 2.95Å; M107-F110 PolarHBondContact O-N 3.18Å; E108-F110 VanDerWaalsContact C-N 3.28Å; E108-F110 PolarHBondContact O-N 2.91Å; F110-A113 PolarHBondContact O-N 2.95Å; F110-Q114 HydrophobicContact CE1-CG 4.26Å; F110-Q114 HydrophobicContact CE2-CG 4.37Å; F110-Q114 HydrophobicContact CZ-CG 4.12Å; F110-Q114 PolarHBondContact O-N 2.95Å
111Q69.9Low67.6Low112 Ų112103.2 Ų103.252%0.52349%0.485SS..Hα-helixtrans-63.8-41.5175.3-74.3175.51.300111.8M107 E108 Q114 A115M107-Q111 VanDerWaalsContact O-CG 3.32Å; M107-Q111 WeakPolarHBondContact O-CG 3.44Å; M107-Q111 PolarHBondContact O-N 3.34Å; E108-Q111 PolarHBondContact O-N 2.92Å; Q111-Q114 PolarHBondContact O-N 3.16Å; Q111-A115 WeakPolarHBondContact O-CB 3.41Å; Q111-A115 PolarHBondContact O-N 2.93Å
112R69.7Low68Low174 Ų17499.9 Ų99.966%0.65748%0.475SS*.Hα-helixtrans-62.3-43174-75.1-179.8-178.8-177.52.8111.8E108 M109 A115 L116E108-R112 WeakPolarHBondContact O-CG 3.43Å; E108-R112 PolarHBondContact O-N 3.36Å; M109-R112 PolarHBondContact O-N 3.46Å; R112-A115 PolarHBondContact O-N 3.4Å; R112-L116 WeakPolarHBondContact O-CG 3.37Å; R112-L116 PolarHBondContact O-N 3.28Å
113A65.6Low68.3Low40 Ų40100.8 Ų100.833%0.33147%0.474SS..Hα-helixtrans-63.2-41.3175.900000112.2M109 F110 A115 L116 R117M109-A113 WeakPolarHBondContact O-CB 3.22Å; M109-A113 PolarHBondContact O-N 3.19Å; F110-A113 PolarHBondContact O-N 2.95Å; A113-A115 PolarHBondContact O-N 3.39Å; A113-L116 PolarHBondContact O-N 3.22Å; A113-R117 WeakPolarHBondContact O-CB 3.43Å; A113-R117 PolarHBondContact O-N 3.38Å
114Q66.3Low68.4Low72 Ų72104.4 Ų104.434%0.33649%0.485SS..Hα-helixtrans-63.1-39.9172.9-77.7-163.82.200112.7F110 Q111 R117 R118F110-Q114 HydrophobicContact CE1-CG 4.26Å; F110-Q114 HydrophobicContact CE2-CG 4.37Å; F110-Q114 HydrophobicContact CZ-CG 4.12Å; F110-Q114 PolarHBondContact O-N 2.95Å; Q111-Q114 PolarHBondContact O-N 3.16Å; Q114-R117 WeakPolarHBondContact O-CB 3.5Å; Q114-R117 PolarHBondContact O-N 2.97Å; Q114-R118 PolarHBondContact O-N 3.23Å
115A72.6Confident68.3Low45 Ų45106.9 Ų106.937%0.37249%0.489SS..Hα-helixtrans-64.8-41.4177.200000111.7Q111 R112 A113 R118 R119Q111-A115 WeakPolarHBondContact O-CB 3.41Å; Q111-A115 PolarHBondContact O-N 2.93Å; R112-A115 PolarHBondContact O-N 3.4Å; A113-A115 PolarHBondContact O-N 3.39Å; A115-R118 PolarHBondContact O-N 3.26Å; A115-R119 WeakPolarHBondContact O-CG 3.48Å; A115-R119 PolarHBondContact O-N 3.31Å
116L72Confident67.7Low112 Ų112108.3 Ų108.359%0.58650%0.501SS*.Hα-helixtrans-62-43.1173.1-74.2168.6000111.6R112 A113 R119 A120R112-L116 WeakPolarHBondContact O-CG 3.37Å; R112-L116 PolarHBondContact O-N 3.28Å; A113-L116 PolarHBondContact O-N 3.22Å; L116-R119 PolarHBondContact O-N 2.94Å; L116-A120 PolarHBondContact O-N 2.86Å
117R73.1Confident67.7Low135 Ų135111.4 Ų111.451%0.50952%0.516SS..Hα-helixtrans-60-46.5175.6-164.3-171.1119.2-143.3-4.9112A113 Q114 R119 A120 E121A113-R117 WeakPolarHBondContact O-CB 3.43Å; A113-R117 PolarHBondContact O-N 3.38Å; Q114-R117 WeakPolarHBondContact O-CB 3.5Å; Q114-R117 PolarHBondContact O-N 2.97Å; R117-R119 PolarHBondContact O-N 2.93Å; R117-A120 PolarHBondContact O-N 2.94Å; R117-E121 IonicContact CZ-OE1 3.34Å; R117-E121 VanDerWaalsContact CZ-OE1 3.24Å; R117-E121 IonicContact NE-OE1 2.64Å; R117-E121 PolarHBondContact NE-OE1 3.39Å; R117-E121 IonicContact NH2-OE1 2.86Å; R117-E121 PolarHBondContact NH2-OE1 2.81Å; R117-E121 IonicContact NH2-OE2 3.92Å; R117-E121 WeakPolarHBondContact O-CG 3.41Å; R117-E121 PolarHBondContact O-N 3.44Å
118R71.6Confident67.2Low159 Ų159109 Ų10960%0.650%0.504SS*.Hα-helixtrans-60.3-44.3175.4-75.8-176.9-176177.92.7111.8Q114 A115 A120 E121 D122Q114-R118 PolarHBondContact O-N 3.23Å; A115-R118 PolarHBondContact O-N 3.26Å; R118-A120 VanDerWaalsContact C-N 3.32Å; R118-A120 PolarHBondContact O-N 2.99Å; R118-E121 PolarHBondContact O-N 3.1Å; R118-D122 WeakPolarHBondContact O-CB 3.46Å; R118-D122 PolarHBondContact O-N 2.97Å
119R72.2Confident66.3Low184 Ų184109.4 Ų109.469%0.69451%0.513SS*.Hα-helixtrans-61.2-39.5176.1-74.5178.8-175.8179.91.6112.6A115 L116 R117 D122 Y123A115-R119 WeakPolarHBondContact O-CG 3.48Å; A115-R119 PolarHBondContact O-N 3.31Å; L116-R119 PolarHBondContact O-N 2.94Å; R117-R119 PolarHBondContact O-N 2.93Å; R119-D122 PolarHBondContact O-N 3.23Å; R119-Y123 VanDerWaalsContact O-CB 3.27Å; R119-Y123 WeakPolarHBondContact O-CB 3.41Å; R119-Y123 PolarHBondContact O-N 2.91Å
120A65.9Low65.7Low60 Ų60108.1 Ų108.150%0.49651%0.514SS..Hα-helixtrans-67.2-42175.500000111.9L116 R117 R118 Y123 Y124L116-A120 PolarHBondContact O-N 2.86Å; R117-A120 PolarHBondContact O-N 2.94Å; R118-A120 VanDerWaalsContact C-N 3.32Å; R118-A120 PolarHBondContact O-N 2.99Å; A120-Y123 PolarHBondContact O-N 3.43Å; A120-Y124 WeakPolarHBondContact O-CB 3.33Å; A120-Y124 PolarHBondContact O-N 3.34Å
121E67.6Low65.1Low86 Ų86110.2 Ų110.240%0.40254%0.535SS..Hα-helixtrans-62.3-42173.4-72.5174.5-168.400111.6R117 R118 Y124 R125R117-E121 IonicContact CZ-OE1 3.34Å; R117-E121 VanDerWaalsContact CZ-OE1 3.24Å; R117-E121 IonicContact NE-OE1 2.64Å; R117-E121 PolarHBondContact NE-OE1 3.39Å; R117-E121 IonicContact NH2-OE1 2.86Å; R117-E121 PolarHBondContact NH2-OE1 2.81Å; R117-E121 IonicContact NH2-OE2 3.92Å; R117-E121 WeakPolarHBondContact O-CG 3.41Å; R117-E121 PolarHBondContact O-N 3.44Å; R118-E121 PolarHBondContact O-N 3.1Å; E121-Y124 PolarHBondContact O-N 2.84Å; E121-R125 WeakPolarHBondContact O-CG 3.42Å; E121-R125 PolarHBondContact O-N 3.42Å
122D73.1Confident64.3Low89 Ų89106.8 Ų106.848%0.47653%0.527SS..Hα-helixtrans-68.3-42.4178.1-71.7-26.6000111.7R118 R119 Y124 R125 C126R118-D122 WeakPolarHBondContact O-CB 3.46Å; R118-D122 PolarHBondContact O-N 2.97Å; R119-D122 PolarHBondContact O-N 3.23Å; D122-Y124 VanDerWaalsContact C-N 3.29Å; D122-Y124 PolarHBondContact O-N 3.48Å; D122-R125 WeakPolarHBondContact O-CB 3.47Å; D122-R125 PolarHBondContact O-N 3.15Å; D122-C126 WeakPolarHBondContact O-CB 3.46Å; D122-C126 PolarHBondContact O-N 3.36Å; D122-C126 PolarHBondContact O-SG 2.84Å
123Y67Low63.6Low153 Ų153103.8 Ų103.860%0.652%0.515SS*.Hα-helixtrans-56.4-45.4171.8178.2-93.9000111R119 A120 C126 K127R119-Y123 VanDerWaalsContact O-CB 3.27Å; R119-Y123 WeakPolarHBondContact O-CB 3.41Å; R119-Y123 PolarHBondContact O-N 2.91Å; A120-Y123 PolarHBondContact O-N 3.43Å; Y123-C126 PolarHBondContact O-N 3.13Å; Y123-K127 HydrophobicContact CD1-CG 4.17Å; Y123-K127 HydrophobicContact CE1-CG 3.81Å; Y123-K127 HydrophobicContact CE2-CG 4.36Å; Y123-K127 VanDerWaalsContact CZ-CE 3.42Å; Y123-K127 WeakPolarHBondContact O-CB 3.27Å; Y123-K127 WeakPolarHBondContact O-CG 3.32Å; Y123-K127 PolarHBondContact O-N 3.06Å; Y123-K127 WeakPolarHBondContact OH-CE 3.33Å
124Y60.4Low62.9Low142 Ų142109.4 Ų109.456%0.55753%0.532SS*.Hα-helixtrans-66.9-39.2177.4-166.6-102.4000112.3A120 E121 D122 C126 K127 I128A120-Y124 WeakPolarHBondContact O-CB 3.33Å; A120-Y124 PolarHBondContact O-N 3.34Å; E121-Y124 PolarHBondContact O-N 2.84Å; D122-Y124 VanDerWaalsContact C-N 3.29Å; D122-Y124 PolarHBondContact O-N 3.48Å; Y124-C126 VanDerWaalsContact C-N 3.33Å; Y124-C126 PolarHBondContact O-N 3.18Å; Y124-K127 PolarHBondContact O-N 3.43Å; Y124-I128 HydrophobicContact CD1-CD1 3.72Å; Y124-I128 HydrophobicContact CD1-CG1 4.46Å; Y124-I128 HydrophobicContact CE1-CD1 3.35Å; Y124-I128 HydrophobicContact CE1-CG1 4.23Å; Y124-I128 WeakPolarHBondContact O-CG1 3.46Å; Y124-I128 PolarHBondContact O-N 3.15Å
125R60.6Low62.2Low167 Ų167109.9 Ų109.963%0.6354%0.541SS*.Hα-helixtrans-59-45.5171.6-77.7-166.5-175.5-154.55.3111.1E121 D122 K127 I128 R133E121-R125 WeakPolarHBondContact O-CG 3.42Å; E121-R125 PolarHBondContact O-N 3.42Å; D122-R125 WeakPolarHBondContact O-CB 3.47Å; D122-R125 PolarHBondContact O-N 3.15Å; R125-K127 VanDerWaalsContact C-N 3.35Å; R125-I128 PolarHBondContact O-N 3.47Å; R125-R133 PolarHBondContact O-NH2 3.17Å
126C61Low61.2Low108 Ų108112.9 Ų112.973%0.7355%0.551SS**Hα-helixtrans-70.3-28.2-178.8-68.60000113.3D122 Y123 Y124D122-C126 WeakPolarHBondContact O-CB 3.46Å; D122-C126 PolarHBondContact O-N 3.36Å; D122-C126 PolarHBondContact O-SG 2.84Å; Y123-C126 PolarHBondContact O-N 3.13Å; Y124-C126 VanDerWaalsContact C-N 3.33Å; Y124-C126 PolarHBondContact O-N 3.18Å
127K59.9Low60.1Low140 Ų140111.5 Ų111.561%0.60955%0.55SS*.Hα-helixtrans-80.3-17.2175.6-73.2-67.4-163.6175.70114.3Y123 Y124 R125Y123-K127 HydrophobicContact CD1-CG 4.17Å; Y123-K127 HydrophobicContact CE1-CG 3.81Å; Y123-K127 HydrophobicContact CE2-CG 4.36Å; Y123-K127 VanDerWaalsContact CZ-CE 3.42Å; Y123-K127 WeakPolarHBondContact O-CB 3.27Å; Y123-K127 WeakPolarHBondContact O-CG 3.32Å; Y123-K127 PolarHBondContact O-N 3.06Å; Y123-K127 WeakPolarHBondContact OH-CE 3.33Å; Y124-K127 PolarHBondContact O-N 3.43Å; R125-K127 VanDerWaalsContact C-N 3.35Å
128I53.7Low59.2Low44 Ų44109.4 Ų109.423%0.22655%0.548CS..SBendtrans-83115.9171.6-65.7172.2000109.4Y124 R125 A132 R133Y124-I128 HydrophobicContact CD1-CD1 3.72Å; Y124-I128 HydrophobicContact CD1-CG1 4.46Å; Y124-I128 HydrophobicContact CE1-CD1 3.35Å; Y124-I128 HydrophobicContact CE1-CG1 4.23Å; Y124-I128 WeakPolarHBondContact O-CG1 3.46Å; Y124-I128 PolarHBondContact O-N 3.15Å; R125-I128 PolarHBondContact O-N 3.47Å; I128-A132 HydrophobicContact CG2-CB 4.09Å; I128-R133 HydrophobicContact CG2-CG 3.79Å
129T55.2Low58.3Low94 Ų94111.1 Ų111.158%0.57756%0.555SS**  trans-53.7134.4172.641.30000110.5S131 A132T129-S131 PolarHBondContact O-N 3.37Å; T129-A132 PolarHBondContact O-N 3.32Å
130P55.7Low57.4Low100 Ų100107.4 Ų107.465%0.64955%0.552SS**Hα-helixtrans-52.9-30.9-178.2-28.634.7000113.9A132 R133P130-A132 PolarHBondContact O-N 3.2Å; P130-R133 WeakPolarHBondContact O-CB 3.32Å; P130-R133 PolarHBondContact O-N 3.08Å
131S53.2Low56.8Low98 Ų98113.3 Ų113.369%0.68556%0.562SS**Hα-helixtrans-62.6-36.4176.3-164.90000113.3T129 R133 P135T129-S131 PolarHBondContact O-N 3.37Å; S131-R133 VanDerWaalsContact C-N 3.29Å; S131-R133 PolarHBondContact O-N 3.41Å; S131-P135 WeakPolarHBondContact O-CD 3.27Å
132A53.4Low56Low41 Ų41114.6 Ų114.634%0.33957%0.569SS.*Hα-helixtrans-78.3-7.9178.800000114I128 T129 P130 P135I128-A132 HydrophobicContact CG2-CB 4.09Å; T129-A132 PolarHBondContact O-N 3.32Å; P130-A132 PolarHBondContact O-N 3.2Å; A132-P135 WeakPolarHBondContact O-CD 3.13Å
133R55Low55Low111 Ų111113.1 Ų113.142%0.41957%0.569SS.*Hα-helixtrans-77.8-32.7176.1-60.4-177.7-177.3178.30.7112.7R125 I128 P130 S131 C137R125-R133 PolarHBondContact O-NH2 3.17Å; I128-R133 HydrophobicContact CG2-CG 3.79Å; P130-R133 WeakPolarHBondContact O-CB 3.32Å; P130-R133 PolarHBondContact O-N 3.08Å; S131-R133 VanDerWaalsContact C-N 3.29Å; S131-R133 PolarHBondContact O-N 3.41Å; R133-C137 PolarHBondContact O-N 2.85Å
134K52.3Low54.2Low158 Ų158108.5 Ų108.569%0.68756%0.563SS**Hα-helixtrans-60.8-46.9-180-78.9177.7175.6178.30114.2L136 N138K134-L136 PolarHBondContact O-N 3.46Å; K134-N138 WeakPolarHBondContact O-CB 3.4Å; K134-N138 PolarHBondContact O-N 3.17Å; K134-N138 VanDerWaalsContact O-N 3.08Å; K134-N138 PolarHBondContact O-ND2 3.46Å
135P51.3Low53.8Low81 Ų81104.7 Ų104.753%0.52655%0.554SS.*Hα-helixtrans-69.3-31.5-178.822.8-31.3000113.6S131 A132 R139S131-P135 WeakPolarHBondContact O-CD 3.27Å; A132-P135 WeakPolarHBondContact O-CD 3.13Å; P135-R139 WeakPolarHBondContact O-CB 3.46Å; P135-R139 PolarHBondContact O-N 2.92Å
136L50.1Low53Low109 Ų109103.5 Ų103.557%0.57156%0.556SS**Hα-helixtrans-72-41.4176.3-79.6164.4000112.6K134 N138 R139 V140K134-L136 PolarHBondContact O-N 3.46Å; L136-N138 VanDerWaalsContact C-N 3.32Å; L136-N138 PolarHBondContact O-N 3.36Å; L136-R139 PolarHBondContact O-N 3.27Å; L136-V140 WeakPolarHBondContact O-CG2 3.45Å; L136-V140 PolarHBondContact O-N 3.4Å; L136-V140 VanDerWaalsContact O-N 3.1Å
137C50.2Low52.3Low83 Ų83104.8 Ų104.856%0.56155%0.551SS**Hα-helixtrans-65.2-35.2173.8-79.60000112.6R133 R141R133-C137 PolarHBondContact O-N 2.85Å; C137-R141 WeakPolarHBondContact O-CB 3.45Å; C137-R141 PolarHBondContact O-N 3.49Å; C137-R141 VanDerWaalsContact O-N 3.11Å
138N53Low51.7Low90 Ų90104.2 Ų104.248%0.48155%0.545SS..Hα-helixtrans-71-38.6175-73-14.9000111.9K134 L136 R141 M142K134-N138 WeakPolarHBondContact O-CB 3.4Å; K134-N138 PolarHBondContact O-N 3.17Å; K134-N138 VanDerWaalsContact O-N 3.08Å; K134-N138 PolarHBondContact O-ND2 3.46Å; L136-N138 VanDerWaalsContact C-N 3.32Å; L136-N138 PolarHBondContact O-N 3.36Å; N138-R141 PolarHBondContact O-N 3.33Å; N138-M142 WeakPolarHBondContact O-CB 3.37Å; N138-M142 VanDerWaalsContact O-CG 3.23Å; N138-M142 WeakPolarHBondContact O-CG 3.48Å; N138-M142 PolarHBondContact O-N 3.48Å
139R52.6Low51.4Low196 Ų196110.1 Ų110.174%0.7457%0.571SS**Hα-helixtrans-65.7-41.5177.4-167.7175.4-180177.70.2112.9P135 L136 M142 A143P135-R139 WeakPolarHBondContact O-CB 3.46Å; P135-R139 PolarHBondContact O-N 2.92Å; L136-R139 PolarHBondContact O-N 3.27Å; R139-M142 PolarHBondContact O-N 3.21Å; R139-A143 WeakPolarHBondContact O-CB 3.5Å; R139-A143 PolarHBondContact O-N 2.86Å
140V53.7Low51.2Low106 Ų106111 Ų11164%0.64258%0.581SS**Hα-helixtrans-67.8-37.9175.3174.70000111.3L136 A144L136-V140 WeakPolarHBondContact O-CG2 3.45Å; L136-V140 PolarHBondContact O-N 3.4Å; L136-V140 VanDerWaalsContact O-N 3.1Å; V140-A144 WeakPolarHBondContact O-CB 3.39Å; V140-A144 PolarHBondContact O-N 2.99Å; V140-A144 VanDerWaalsContact O-N 3.13Å
141R53.8Low51.2Low183 Ų183108.5 Ų108.569%0.69157%0.566SS**Hα-helixtrans-65.7-41.1173.2-91.2175.551.8168-5.7113.1C137 N138 A144 V145C137-R141 WeakPolarHBondContact O-CB 3.45Å; C137-R141 PolarHBondContact O-N 3.49Å; C137-R141 VanDerWaalsContact O-N 3.11Å; N138-R141 PolarHBondContact O-N 3.33Å; R141-A144 PolarHBondContact O-N 3.36Å; R141-V145 WeakPolarHBondContact O-CG2 3.47Å; R141-V145 PolarHBondContact O-N 3Å
142M50.8Low51.2Low114 Ų114107.6 Ų107.656%0.56257%0.572SS**Hα-helixtrans-70.4-41.6179.8-71.1-60.2-68.600111.9N138 R139 A144 V145 E146N138-M142 WeakPolarHBondContact O-CB 3.37Å; N138-M142 VanDerWaalsContact O-CG 3.23Å; N138-M142 WeakPolarHBondContact O-CG 3.48Å; N138-M142 PolarHBondContact O-N 3.48Å; R139-M142 PolarHBondContact O-N 3.21Å; M142-A144 VanDerWaalsContact C-N 3.28Å; M142-A144 PolarHBondContact O-N 3.29Å; M142-V145 CarbonylContact O-C 3.55Å; M142-V145 WeakPolarHBondContact O-CA 3.49Å; M142-V145 PolarHBondContact O-N 2.87Å; M142-E146 PolarHBondContact O-N 2.79Å
143A52.8Low51Low57 Ų57112.3 Ų112.347%0.47159%0.591SS.*Hα-helixtrans-62.2-36.3173.600000112.2R139 V145 H147R139-A143 WeakPolarHBondContact O-CB 3.5Å; R139-A143 PolarHBondContact O-N 2.86Å; A143-V145 VanDerWaalsContact C-N 3.27Å; A143-V145 PolarHBondContact O-N 3.47Å; A143-H147 PolarHBondContact O-N 3.19Å
144A49.7Very low50.5Low56 Ų56112.1 Ų112.146%0.46360%0.604SS.*Hα-helixtrans-74.7-12.8173.400000113.9V140 R141 M142 R148V140-A144 WeakPolarHBondContact O-CB 3.39Å; V140-A144 PolarHBondContact O-N 2.99Å; V140-A144 VanDerWaalsContact O-N 3.13Å; R141-A144 PolarHBondContact O-N 3.36Å; M142-A144 VanDerWaalsContact C-N 3.28Å; M142-A144 PolarHBondContact O-N 3.29Å; A144-R148 VanDerWaalsContact O-CG 3.27Å; A144-R148 WeakPolarHBondContact O-CG 3.48Å; A144-R148 PolarHBondContact O-NE 3.08Å
145V50.8Low50.1Low62 Ų62111.9 Ų111.938%0.37660%0.6SS.*Hα-helixtrans-93-41.2172.2164.40000110.7R141 M142 A143 H147 R148 H149R141-V145 WeakPolarHBondContact O-CG2 3.47Å; R141-V145 PolarHBondContact O-N 3Å; M142-V145 CarbonylContact O-C 3.55Å; M142-V145 WeakPolarHBondContact O-CA 3.49Å; M142-V145 PolarHBondContact O-N 2.87Å; A143-V145 VanDerWaalsContact C-N 3.27Å; A143-V145 PolarHBondContact O-N 3.47Å; V145-H147 VanDerWaalsContact C-N 3.31Å; V145-H147 PolarHBondContact O-N 2.86Å; V145-R148 VanDerWaalsContact O-CB 3.22Å; V145-R148 WeakPolarHBondContact O-CB 3.23Å; V145-R148 PolarHBondContact O-N 3.46Å; V145-H149 PolarHBondContact O-CD2 3.49Å
146E45.8Very low50Low143 Ų143117.4 Ų117.467%0.66861%0.61SS**Hα-helixtrans-61-38.5174.4-92.1174142.700112.3M142 R148 H149M142-E146 PolarHBondContact O-N 2.79Å; E146-R148 PolarHBondContact O-N 3.11Å; E146-H149 PolarHBondContact O-N 3.04Å
147H44.5Very low50Low135 Ų135115.3 Ų115.363%0.62560%0.603SS**Hα-helixtrans-66.4-16.1173.9-155.9-67.6000113.2A143 V145 S151A143-H147 PolarHBondContact O-N 3.19Å; V145-H147 VanDerWaalsContact C-N 3.31Å; V145-H147 PolarHBondContact O-N 2.86Å; H147-S151 PolarHBondContact O-OG 3.02Å
148R47.8Very low49.8Very low127 Ų127121.6 Ų121.648%0.47962%0.616SS.*Hα-helixtrans-76.7-24.5178.2-66.9174.9177.7-138.3-6.9113.7A144 V145 E146 Y155A144-R148 VanDerWaalsContact O-CG 3.27Å; A144-R148 WeakPolarHBondContact O-CG 3.48Å; A144-R148 PolarHBondContact O-NE 3.08Å; V145-R148 VanDerWaalsContact O-CB 3.22Å; V145-R148 WeakPolarHBondContact O-CB 3.23Å; V145-R148 PolarHBondContact O-N 3.46Å; E146-R148 PolarHBondContact O-N 3.11Å; R148-Y155 VanDerWaalsContact NH2-CE2 3.29Å
149H48.4Very low49.7Very low169 Ų169120.9 Ų120.978%0.78261%0.612SS**Hα-helixtrans-85.7-20-178.5-71.6-97.6000112.7V145 E146V145-H149 PolarHBondContact O-CD2 3.49Å; E146-H149 PolarHBondContact O-N 3.04Å
150S51.1Low50Low111 Ų111115.2 Ų115.278%0.77660%0.599SS**Hα-helixtrans-97.7-19.6-176.7-1740000114.8
151S53.9Low49.8Very low49 Ų49114.1 Ų114.134%0.34360%0.601SS.*SBendtrans-102.3-7.9-167.869.90000115.8H147 L153H147-S151 PolarHBondContact O-OG 3.02Å; S151-L153 WeakPolarHBondContact O-CG 3.5Å; S151-L153 PolarHBondContact O-N 3.32Å
152G54.5Low49.7Very low79 Ų79112.1 Ų112.181%0.81460%0.6SS**  trans55.312.3173.600000116.5
153L49Very low49.9Very low140 Ų140109.4 Ų109.473%0.73359%0.59SS**  trans-112.7136.1-171.6-77.7169.7000110.9S151 Y155S151-L153 WeakPolarHBondContact O-CG 3.5Å; S151-L153 PolarHBondContact O-N 3.32Å; L153-Y155 PolarHBondContact O-N 2.95Å
154P45.4Very low49.9Very low106 Ų106110.9 Ų110.969%0.68859%0.59SS**  trans-66.5128.7-178.825.3-31000111.1W156P154-W156 PolarHBondContact O-N 2.95Å
155Y43.8Very low50.2Low153 Ų153115.6 Ų115.660%0.660%0.599SS**  trans-61112.1-180175.2-114.9000111.5R148 L153 P157R148-Y155 VanDerWaalsContact NH2-CE2 3.29Å; L153-Y155 PolarHBondContact O-N 2.95Å; Y155-P157 HydrophobicContact CD1-CB 4.35Å; Y155-P157 VanDerWaalsContact CD1-CD 3.49Å; Y155-P157 HydrophobicContact CD1-CG 3.84Å; Y155-P157 HydrophobicContact CE1-CB 3.57Å; Y155-P157 HydrophobicContact CE1-CG 3.34Å; Y155-P157 HydrophobicContact CE2-CB 4.12Å; Y155-P157 VanDerWaalsContact CZ-CB 3.44Å; Y155-P157 VanDerWaalsContact O-CD 3.32Å; Y155-P157 WeakPolarHBondContact O-CD 3.31Å; Y155-P157 WeakPolarHBondContact OH-CB 3.25Å
156W48.3Very low50.6Low198 Ų198117.7 Ų117.775%0.7561%0.609SS**  trans-101.491.9162-8378.5000108.6P154P154-W156 PolarHBondContact O-N 2.95Å
157P50.3Low51.1Low64 Ų64119 Ų11942%0.41661%0.608SS.*  trans-66.1141.6167.225.9-23.2000108Y155 L159Y155-P157 HydrophobicContact CD1-CB 4.35Å; Y155-P157 VanDerWaalsContact CD1-CD 3.49Å; Y155-P157 HydrophobicContact CD1-CG 3.84Å; Y155-P157 HydrophobicContact CE1-CB 3.57Å; Y155-P157 HydrophobicContact CE1-CG 3.34Å; Y155-P157 HydrophobicContact CE2-CB 4.12Å; Y155-P157 VanDerWaalsContact CZ-CB 3.44Å; Y155-P157 VanDerWaalsContact O-CD 3.32Å; Y155-P157 WeakPolarHBondContact O-CD 3.31Å; Y155-P157 WeakPolarHBondContact OH-CB 3.25Å; P157-L159 PolarHBondContact O-N 3.32Å
158Y46.4Very low51.5Low215 Ų215119.3 Ų119.384%0.84361%0.611SS**  trans0.3107.5148.7-103-101.3000113.5T160Y158-T160 VanDerWaalsContact C-N 3.34Å; Y158-T160 PolarHBondContact O-N 2.96Å
159L51.2Low51.9Low75 Ų75116.1 Ų116.139%0.39362%0.618SS.*  trans-50.5106.3162-73.2163.5000106.4P157 T163P157-L159 PolarHBondContact O-N 3.32Å; L159-T163 HydrophobicContact CD2-CG2 3.5Å; L159-T163 VanDerWaalsContact CD2-CG2 3.5Å
160T58.2Low52.3Low77 Ų77115.6 Ų115.647%0.47262%0.615SS.*  trans-63.1153.7175.356.20000107.3Y158 E162 T163 L164Y158-T160 VanDerWaalsContact C-N 3.34Å; Y158-T160 PolarHBondContact O-N 2.96Å; T160-E162 PolarHBondContact O-N 3.28Å; T160-T163 PolarHBondContact N-OG1 3.18Å; T160-T163 WeakPolarHBondContact O-CB 3.34Å; T160-T163 PolarHBondContact O-N 3.49Å; T160-T163 PolarHBondContact OG1-OG1 3.38Å; T160-L164 PolarHBondContact O-N 3.39Å; T160-L164 VanDerWaalsContact O-N 3.15Å
161A50Low52.6Low83 Ų83118.7 Ų118.769%0.68662%0.617SS**Hα-helixtrans-53.8-23.2176.700000112.3K165A161-K165 WeakPolarHBondContact O-CB 3.37Å; A161-K165 PolarHBondContact O-N 3.21Å
162E51.8Low52.9Low142 Ų142121.3 Ų121.366%0.66463%0.634SS**Hα-helixtrans-70.2-42.2173.4-145.7161.6-161.400112.8T160 L164 K165 N166T160-E162 PolarHBondContact O-N 3.28Å; E162-L164 VanDerWaalsContact C-N 3.29Å; E162-L164 PolarHBondContact O-N 2.67Å; E162-K165 PolarHBondContact O-N 3.3Å; E162-N166 PolarHBondContact O-N 2.99Å; E162-N166 PolarHBondContact O-ND2 3.43Å
163T53.8Low53.2Low56 Ų56123.2 Ų123.234%0.34463%0.631SS.*Hα-helixtrans-65.8-33.3172.6-36.50000112.2L159 T160 R167L159-T163 HydrophobicContact CD2-CG2 3.5Å; L159-T163 VanDerWaalsContact CD2-CG2 3.5Å; T160-T163 PolarHBondContact N-OG1 3.18Å; T160-T163 WeakPolarHBondContact O-CB 3.34Å; T160-T163 PolarHBondContact O-N 3.49Å; T160-T163 PolarHBondContact OG1-OG1 3.38Å; T163-R167 PolarHBondContact O-N 2.96Å
164L53.4Low53.9Low89 Ų89121.7 Ų121.747%0.46663%0.63SS.*Hα-helixtrans-73-37.1176.2-131148.9000111.5T160 E162 R167 M168T160-L164 PolarHBondContact O-N 3.39Å; T160-L164 VanDerWaalsContact O-N 3.15Å; E162-L164 VanDerWaalsContact C-N 3.29Å; E162-L164 PolarHBondContact O-N 2.67Å; L164-R167 PolarHBondContact O-N 2.92Å; L164-M168 HydrophobicContact CD2-CE 3.85Å; L164-M168 HydrophobicContact CD2-SD 4.2Å; L164-M168 WeakPolarHBondContact O-CG 3.45Å; L164-M168 PolarHBondContact O-N 3.47Å; L164-M168 VanDerWaalsContact O-N 3.15Å
165K55.8Low54.3Low154 Ų154122.5 Ų122.567%0.6764%0.635SS**Hα-helixtrans-63.7-44.3172.2-99.3-176.8171.8-176.30112.8A161 E162 R167 M168 G169A161-K165 WeakPolarHBondContact O-CB 3.37Å; A161-K165 PolarHBondContact O-N 3.21Å; E162-K165 PolarHBondContact O-N 3.3Å; K165-R167 PolarHBondContact O-N 3.01Å; K165-M168 PolarHBondContact O-N 3.48Å; K165-M168 VanDerWaalsContact O-N 3.17Å; K165-G169 PolarHBondContact O-N 3.39Å
166N58.2Low55.1Low107 Ų107121.7 Ų121.757%0.57265%0.646SS**Hα-helixtrans-67.3-25.9179.5-65.9-16.7000112.6E162 H170E162-N166 PolarHBondContact O-N 2.99Å; E162-N166 PolarHBondContact O-ND2 3.43Å; N166-H170 PolarHBondContact O-CD2 3.27Å
167R57.6Low55.5Low171 Ų171121 Ų12165%0.64565%0.652SS**Hα-helixtrans-79.4-28.8172.2-78.4-176.4172.4-178.7-1.8114.1T163 L164 K165T163-R167 PolarHBondContact O-N 2.96Å; L164-R167 PolarHBondContact O-N 2.92Å; K165-R167 PolarHBondContact O-N 3.01Å
168M53.6Low55.7Low140 Ų140130.6 Ų130.669%0.6969%0.691SS**Hα-helixtrans-85.6-17175.9-69.5-172.8-64.800113.3L164 K165L164-M168 HydrophobicContact CD2-CE 3.85Å; L164-M168 HydrophobicContact CD2-SD 4.2Å; L164-M168 WeakPolarHBondContact O-CG 3.45Å; L164-M168 PolarHBondContact O-N 3.47Å; L164-M168 VanDerWaalsContact O-N 3.15Å; K165-M168 PolarHBondContact O-N 3.48Å; K165-M168 VanDerWaalsContact O-N 3.17Å
169G55Low56.2Low61 Ų61126.4 Ų126.463%0.62968%0.683SS**SBendtrans-87.7-7.6-177.900000115.8K165 Q171K165-G169 PolarHBondContact O-N 3.39Å; G169-Q171 PolarHBondContact O-N 3.33Å
170H56.1Low56.5Low158 Ų158129.1 Ų129.173%0.73170%0.698SS**  trans-90.396.8173-75.3-62.8000109.9N166N166-H170 PolarHBondContact O-CD2 3.27Å
171Q57.8Low56.4Low175 Ų175131.9 Ų131.982%0.81871%0.711SS**PPolyproline II helixtrans-61.1134.8154.2-113.7-164.4-8.700108G169G169-Q171 PolarHBondContact O-N 3.33Å
172P60.4Low56.7Low105 Ų105134.8 Ų134.868%0.68271%0.712SS**PPolyproline II helixtrans-59.9140.9165.625.7-31000108.5
173P61.3Low57Low118 Ų118134.4 Ų134.477%0.76672%0.715SS**PPolyproline II helixtrans-57.5143.3175.924.4-32.2000109.4
174P64.3Low57.3Low109 Ų109139.6 Ų139.671%0.70874%0.74SS**PPolyproline II helixtrans-60.3146.1179.524.8-32.4000110.1T176P174-T176 PolarHBondContact O-N 3.29Å
175P53.6Low57.5Low122 Ų122143.2 Ų143.279%0.79276%0.76SS**PPolyproline II helixtrans-61.8123.8-17924.6-32000109.8Q177P175-Q177 PolarHBondContact O-N 3.49Å
176T61.1Low57.7Low137 Ų137142.4 Ų142.484%0.8477%0.767SS**PPolyproline II helixtrans-60.7116.8171.9-42.20000108.3P174P174-T176 PolarHBondContact O-N 3.29Å
177Q55.8Low57.6Low184 Ų184145.3 Ų145.386%0.8678%0.783SS**PPolyproline II helixtrans-73.2127.4166.8-64.9-141.910.500108.3P175P175-Q177 PolarHBondContact O-N 3.49Å
178Q55.1Low57.6Low264 Ų264143 Ų143100%1.23480%0.795SS**  trans-75.20165.8-72.5-173.6-12.900110.1

Retrieved 178 of 178 residues in 45.3 ms (Link to these results)