A0A077Z0N7_TRITR Loading...

Protein FAM98A

AlphaFold DB , UniProt , Accession A0A077Z0N7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 423 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
1M42Very low35.9Very low246 Ų246164.9 Ų164.9100%1.21285%0.849SS**  0122.40-80.8166.7159.800107.5
2I35.7Very low35.4Very low159 Ų159162.5 Ų162.582%0.81584%0.839SS**  trans-77.5119.4176.6-66.3161.5000106.6K4I2-K4 HydrophobicContact CG2-CG 4.14Å
3E42.7Very low35Very low170 Ų170165.2 Ų165.279%0.79484%0.84SS**  trans-128.995.6160.5-156.3164.6-161.600108.2
4K37.1Very low34.7Very low194 Ų194158.8 Ų158.884%0.84383%0.825SS**  trans-79.7111.5166.8-72.7-177.6177.9178.80106.8I2I2-K4 HydrophobicContact CG2-CG 4.14Å
5Q37.2Very low34.5Very low163 Ų163155.7 Ų155.776%0.76282%0.819SS**  trans-131.6105.5153.8-73.5-164.6-1.700109.3
6K31.2Very low34.6Very low210 Ų210154.5 Ų154.591%0.91382%0.82SS**PPolyproline II helixtrans-84.7121.4151.6-81.2-178.4172.1-176.90106.7
7P36.3Very low34.5Very low117 Ų117154.5 Ų154.576%0.7682%0.82SS**PPolyproline II helixtrans-95.7146152.317.8-0.6000109.8
8G33.1Very low34.5Very low76 Ų76153.5 Ų153.578%0.78480%0.803SS**PPolyproline II helixtrans-55.9144.6-168.100000115E10G8-E10 PolarHBondContact O-N 3.28Å; G8-E10 VanDerWaalsContact O-N 3.07Å
9M31.8Very low34.4Very low187 Ų187151.7 Ų151.792%0.92180%0.801SS**  trans-65.7102.2158.8-79174.4165.900107.8V11M9-V11 PolarHBondContact O-N 3.1Å
10E31.1Very low34.1Very low167 Ų167150.9 Ų150.978%0.7880%0.803SS**  trans-63.199.7168.9-159.5172.9-154.200108.1G8 N12G8-E10 PolarHBondContact O-N 3.28Å; G8-E10 VanDerWaalsContact O-N 3.07Å; E10-N12 PolarHBondContact O-N 3.22Å
11V36.2Very low33.9Very low125 Ų125149.8 Ų149.876%0.75880%0.797SS**  trans-69.192.6169.4-177.10000105.8M9 K13M9-V11 PolarHBondContact O-N 3.1Å; V11-K13 VanDerWaalsContact C-N 3.28Å; V11-K13 PolarHBondContact O-N 2.98Å
12N30.7Very low33.3Very low136 Ų136143 Ų14373%0.72777%0.771SS**  trans-54.695.8166.7-83.9-75.4000108E10 A14E10-N12 PolarHBondContact O-N 3.22Å; N12-A14 PolarHBondContact O-N 2.95Å
13K30.3Very low32.9Very low197 Ų197141 Ų14186%0.85777%0.768SS**  trans-66.787.3162.6-77.5179.2178.2174.40106V11V11-K13 VanDerWaalsContact C-N 3.28Å; V11-K13 PolarHBondContact O-N 2.98Å
14A30.9Very low32.5Very low76 Ų76142.5 Ų142.563%0.62878%0.775SS**  trans-53.5132.3163.500000107.4N12 V16N12-A14 PolarHBondContact O-N 2.95Å; A14-V16 PolarHBondContact O-N 3.07Å; A14-V16 VanDerWaalsContact O-N 3.08Å
15P31.3Very low31.9Very low113 Ų113141.9 Ų141.973%0.73478%0.775SS**  trans-59.3121.6179.123.4-30000107.2D17P15-D17 VanDerWaalsContact C-N 3.29Å; P15-D17 PolarHBondContact O-N 3.17Å
16V36.7Very low31.5Very low136 Ų136137.5 Ų137.582%0.82477%0.774SS**  trans-62.6102.4166.9177.60000104.4A14 R18A14-V16 PolarHBondContact O-N 3.07Å; A14-V16 VanDerWaalsContact O-N 3.08Å; V16-R18 PolarHBondContact O-N 2.82Å
17D32.6Very low31.6Very low154 Ų154136.3 Ų136.382%0.82478%0.777SS**  trans-5595.3169.4-88.8-30000106.9P15P15-D17 VanDerWaalsContact C-N 3.29Å; P15-D17 PolarHBondContact O-N 3.17Å
18R34.8Very low31.2Very low137 Ų137133.8 Ų133.852%0.51777%0.772SS.*  trans-59.4136.4173.8-165.8-177.7-86.9-140.512.9105.9V16 T20 E146V16-R18 PolarHBondContact O-N 2.82Å; R18-T20 PolarHBondContact O-N 3.38Å; R18-E146 IonicContact CZ-OE1 3.57Å; R18-E146 IonicContact CZ-OE2 2.85Å; R18-E146 IonicContact NH1-OE1 2.69Å; R18-E146 PolarHBondContact NH1-OE1 2.88Å; R18-E146 IonicContact NH1-OE2 2.75Å; R18-E146 PolarHBondContact NH1-OE2 3.19Å; R18-E146 IonicContact NH2-OE1 3.3Å; R18-E146 IonicContact NH2-OE2 2.9Å; R18-E146 PolarHBondContact NH2-OE2 2.92Å
19P31.4Very low31.3Very low119 Ų119133.5 Ų133.577%0.77377%0.77SS**  trans-53.4109.4-177.2-2331000109.6L21P19-L21 PolarHBondContact O-N 3.15Å
20T29.1Very low31.9Very low136 Ų136136.5 Ų136.583%0.83477%0.771SS**  trans-63.4110.9173.210.70000106R18R18-T20 PolarHBondContact O-N 3.38Å
21L30.2Very low33Very low128 Ų128140.1 Ų140.167%0.6778%0.778SS**PPolyproline II helixtrans-53.3131.1169.8-84.5163.3000107.3P19P19-L21 PolarHBondContact O-N 3.15Å
22P29Very low34.7Very low103 Ų103145.2 Ų145.267%0.66978%0.783SS**PPolyproline II helixtrans-58.3142.8-170.221.1-31.8000110.8Q24P22-Q24 PolarHBondContact O-N 2.94Å
23P27.6Very low37Very low116 Ų116140.6 Ų140.675%0.75376%0.76SS**PPolyproline II helixtrans-58.9125.4-178.421.9-31.3000110.1Q25P23-Q25 PolarHBondContact O-N 3.13Å
24Q34.9Very low39.8Very low202 Ų202135.3 Ų135.394%0.94474%0.742SS**  trans-70.780175.6-71.1-126.420.300110.1P22P22-Q24 PolarHBondContact O-N 2.94Å
25Q24.3Very low42.5Very low182 Ų182132.6 Ų132.685%0.8572%0.716SS**  trans-102.6118.8158.5-71.5-173.18.900108.5P23P23-Q25 PolarHBondContact O-N 3.13Å
26G27.6Very low45.2Very low71 Ų71132.1 Ų132.173%0.73271%0.708SS**SBendtrans114.995.1163.500000114.6G28G26-G28 PolarHBondContact O-N 3.35Å
27N33.6Very low47.7Very low184 Ų184127.8 Ų127.898%0.98469%0.686SS**  trans8.873.5144.4-152.721.4000116.2
28G28.2Very low50.5Low64 Ų64120.5 Ų120.566%0.6665%0.647SS**  trans-116.4128.8171.900000108.5G26 R30G26-G28 PolarHBondContact O-N 3.35Å; G28-R30 PolarHBondContact O-N 2.92Å
29G34.1Very low53.1Low71 Ų71116.3 Ų116.373%0.73263%0.631SS**  trans-39.2132.7-168.400000114.2R31G29-R31 VanDerWaalsContact C-N 3.28Å; G29-R31 PolarHBondContact O-N 2.84Å
30R45.3Very low55.7Low250 Ų250114.9 Ų114.994%0.94362%0.617SS**  trans-46.788.9177.6-63.3177-171.8174.71.8109.8G28 R32G28-R30 PolarHBondContact O-N 2.92Å; R30-R32 PolarHBondContact O-N 3.06Å; R30-R32 VanDerWaalsContact O-N 3.13Å
31R54.9Low58.5Low243 Ų243109 Ų10992%0.91758%0.582SS**PPolyproline II helixtrans-63.6118.7168.6-76.5-166.9178.4-165.30.4104.8G29G29-R31 VanDerWaalsContact C-N 3.28Å; G29-R31 PolarHBondContact O-N 2.84Å
32R70.8Confident61.3Low232 Ų232103 Ų10388%0.87555%0.551SS**PPolyproline II helixtrans-55.4138.2169.9-74-175.1175.6-166.6-1107.2R30 D34R30-R32 PolarHBondContact O-N 3.06Å; R30-R32 VanDerWaalsContact O-N 3.13Å; R32-D34 PolarHBondContact O-N 2.95Å
33P80Confident64Low38 Ų38102.6 Ų102.625%0.24754%0.539CS..PPolyproline II helixtrans-57.1131.5173.9-13.624.6000109M35 V134 Y137P33-M35 HydrophobicContact CB-CE 3.91Å; P33-M35 HydrophobicContact CG-CE 4.28Å; P33-M35 PolarHBondContact O-N 3.11Å; P33-V134 HydrophobicContact CG-CG2 4.49Å; P33-Y137 HydrophobicContact CB-CD1 3.81Å; P33-Y137 HydrophobicContact CB-CD2 3.36Å; P33-Y137 HydrophobicContact CB-CE1 3.94Å; P33-Y137 HydrophobicContact CB-CE2 3.49Å; P33-Y137 VanDerWaalsContact CB-CE2 3.49Å; P33-Y137 HydrophobicContact CB-CG 3.53Å; P33-Y137 HydrophobicContact CG-CD2 4.42Å; P33-Y137 HydrophobicContact CG-CG 4.28Å
34D88.4Confident66.6Low87 Ų8799.3 Ų99.347%0.46553%0.525SS..  trans-79.8102.6178.8-173.3-18.3000108.4R32 D36 A37 L38 Y137R32-D34 PolarHBondContact O-N 2.95Å; D34-D36 PolarHBondContact OD1-N 2.96Å; D34-A37 HydrophobicContact CB-CB 3.95Å; D34-A37 PolarHBondContact OD1-N 3.04Å; D34-L38 PolarHBondContact O-N 3.13Å; D34-Y137 PolarHBondContact N-OH 3.4Å; D34-Y137 WeakPolarHBondContact O-CE2 3.34Å; D34-Y137 PolarHBondContact O-OH 2.9Å
35M88.1Confident68.9Low18 Ų1890.2 Ų90.29%0.08948%0.484CS..Hα-helixtrans-74.8-30.1-176.7-65.7-58170.900112.2P33 L38 W39 E58 L61 Y137P33-M35 HydrophobicContact CB-CE 3.91Å; P33-M35 HydrophobicContact CG-CE 4.28Å; P33-M35 PolarHBondContact O-N 3.11Å; M35-L38 PolarHBondContact O-N 3.16Å; M35-W39 WeakPolarHBondContact O-CB 3.5Å; M35-W39 PolarHBondContact O-N 3.21Å; M35-E58 HydrophobicContact CE-CG 4.28Å; M35-E58 HydrophobicContact CG-CB 4.3Å; M35-E58 HydrophobicContact CG-CG 4.33Å; M35-E58 HydrophobicContact SD-CB 4.48Å; M35-L61 HydrophobicContact CE-CD1 4.07Å; M35-L61 HydrophobicContact SD-CD1 3.82Å; M35-Y137 HydrophobicContact CE-CD2 3.98Å; M35-Y137 HydrophobicContact SD-CD2 3.89Å; M35-Y137 HydrophobicContact SD-CE2 4.11Å
36D88.4Confident71.6Confident104 Ų10484.3 Ų84.356%0.55647%0.472SS*.Hα-helixtrans-68.4-42.8177.5-65.7-44.8000110D34 L38 W39 N40D34-D36 PolarHBondContact OD1-N 2.96Å; D36-L38 PolarHBondContact O-N 3.33Å; D36-W39 PolarHBondContact O-N 3.35Å; D36-N40 WeakPolarHBondContact O-CB 3.35Å; D36-N40 VanDerWaalsContact O-CG 3.28Å; D36-N40 PolarHBondContact O-N 3.15Å; D36-N40 PolarHBondContact O-ND2 3.32Å; D36-N40 VanDerWaalsContact O-ND2 3.13Å
37A88.7Confident74Confident45 Ų4583 Ų8337%0.37245%0.448SS..Hα-helixtrans-60.7-44.3173.800000112.2D34 N40 A41D34-A37 HydrophobicContact CB-CB 3.95Å; D34-A37 PolarHBondContact OD1-N 3.04Å; A37-N40 PolarHBondContact O-N 3.07Å; A37-A41 PolarHBondContact O-N 3.19Å
38L90.4Very high75.9Confident0 Ų076.7 Ų76.70%042%0.416CS..Hα-helixtrans-65.9-40.7179-175.866000112.1D34 M35 D36 N40 A41 L42 L57 L61 Y137 V140 N141D34-L38 PolarHBondContact O-N 3.13Å; M35-L38 PolarHBondContact O-N 3.16Å; D36-L38 PolarHBondContact O-N 3.33Å; L38-N40 VanDerWaalsContact C-N 3.32Å; L38-N40 PolarHBondContact O-N 3.33Å; L38-A41 PolarHBondContact O-N 3.33Å; L38-L42 PolarHBondContact O-N 3.31Å; L38-L57 HydrophobicContact CB-CD2 4.31Å; L38-L57 HydrophobicContact CD2-CD2 3.91Å; L38-L57 HydrophobicContact CD2-CG 4.47Å; L38-L57 HydrophobicContact CG-CD2 3.9Å; L38-L61 HydrophobicContact CD2-CD1 3.74Å; L38-Y137 HydrophobicContact CB-CD2 4.42Å; L38-Y137 HydrophobicContact CB-CE2 3.68Å; L38-Y137 HydrophobicContact CD2-CD2 3.53Å; L38-Y137 HydrophobicContact CD2-CE2 3.68Å; L38-Y137 HydrophobicContact CD2-CG 4.41Å; L38-Y137 HydrophobicContact CG-CD2 4.47Å; L38-Y137 HydrophobicContact CG-CE2 4.16Å; L38-V140 HydrophobicContact CD1-CB 4.45Å; L38-V140 HydrophobicContact CD1-CG1 4.07Å; L38-V140 HydrophobicContact CD2-CB 4.39Å; L38-V140 HydrophobicContact CD2-CG1 4.23Å; L38-V140 HydrophobicContact CG-CG1 4.41Å; L38-N141 VanDerWaalsContact CD1-CA 3.48Å; L38-N141 HydrophobicContact CD1-CB 3.69Å
39W89.7Confident78.1Confident50 Ų5079 Ų7919%0.18943%0.429CS..Hα-helixtrans-64.9-37.7176.5177.979.4000111.9M35 D36 L42 K43 A54 L57M35-W39 WeakPolarHBondContact O-CB 3.5Å; M35-W39 PolarHBondContact O-N 3.21Å; D36-W39 PolarHBondContact O-N 3.35Å; W39-L42 PolarHBondContact O-N 3.3Å; W39-K43 HydrophobicContact CD2-CD 3.93Å; W39-K43 HydrophobicContact CD2-CG 4.42Å; W39-K43 VanDerWaalsContact CE2-CE 3.43Å; W39-K43 HydrophobicContact CE3-CD 3.78Å; W39-K43 HydrophobicContact CH2-CD 4.11Å; W39-K43 HydrophobicContact CZ2-CD 4.11Å; W39-K43 HydrophobicContact CZ3-CD 3.88Å; W39-K43 WeakPolarHBondContact O-CB 3.26Å; W39-K43 WeakPolarHBondContact O-CG 3.48Å; W39-K43 PolarHBondContact O-N 3.21Å; W39-A54 HydrophobicContact CB-CB 3.89Å; W39-A54 HydrophobicContact CD2-CB 4.47Å; W39-A54 HydrophobicContact CG-CB 4.07Å; W39-L57 HydrophobicContact CB-CD2 4.02Å
40N87.5Confident80.1Confident89 Ų8979.7 Ų79.748%0.47642%0.423SS..Hα-helixtrans-65.1-39.7173.1-72.8-33000112.5D36 A37 L38 K43 G44D36-N40 WeakPolarHBondContact O-CB 3.35Å; D36-N40 VanDerWaalsContact O-CG 3.28Å; D36-N40 PolarHBondContact O-N 3.15Å; D36-N40 PolarHBondContact O-ND2 3.32Å; D36-N40 VanDerWaalsContact O-ND2 3.13Å; A37-N40 PolarHBondContact O-N 3.07Å; L38-N40 VanDerWaalsContact C-N 3.32Å; L38-N40 PolarHBondContact O-N 3.33Å; N40-K43 WeakPolarHBondContact O-CB 3.42Å; N40-K43 PolarHBondContact O-N 3.18Å; N40-G44 PolarHBondContact O-N 3.19Å
41A87.2Confident82Confident13 Ų1368.2 Ų68.211%0.10738%0.38CS..Hα-helixtrans-63.3-44.3173.500000111.3A37 L38 K43 G44 C45 C144 E148A37-A41 PolarHBondContact O-N 3.19Å; L38-A41 PolarHBondContact O-N 3.33Å; A41-K43 VanDerWaalsContact C-N 3.29Å; A41-K43 PolarHBondContact O-N 3.36Å; A41-G44 WeakPolarHBondContact O-CA 3.05Å; A41-G44 PolarHBondContact O-N 3.05Å; A41-C45 PolarHBondContact O-N 3.02Å; A41-C45 PolarHBondContact O-SG 3.07Å; A41-C144 HydrophobicContact CB-CB 4.12Å; A41-E148 WeakPolarHBondContact CA-OE1 3.25Å
42L88.7Confident83.3Confident0 Ų061.7 Ų61.70%037%0.369CS..Hα-helixtrans-63.5-35.3176.9-172.666.1000112.7L38 W39 C45 G46 L47 I51 L57 L73 L77L38-L42 PolarHBondContact O-N 3.31Å; W39-L42 PolarHBondContact O-N 3.3Å; L42-C45 WeakPolarHBondContact O-CB 3.33Å; L42-C45 PolarHBondContact O-N 3.27Å; L42-G46 PolarHBondContact O-N 3.41Å; L42-L47 HydrophobicContact CD1-CB 3.97Å; L42-L47 PolarHBondContact O-N 3.02Å; L42-I51 HydrophobicContact CD2-CD1 3.84Å; L42-L57 HydrophobicContact CD2-CD1 4.19Å; L42-L73 HydrophobicContact CD1-CD1 3.9Å; L42-L73 HydrophobicContact CD2-CD1 4.07Å; L42-L77 HydrophobicContact CD1-CD2 4.16Å
43K86.4Confident84.1Confident96 Ų9654 Ų5442%0.41735%0.345SS..Hα-helixtrans-61.1-45.3169.1-82.1176.3156.1-170.10112.4W39 N40 A41 C45 G46 T48W39-K43 HydrophobicContact CD2-CD 3.93Å; W39-K43 HydrophobicContact CD2-CG 4.42Å; W39-K43 VanDerWaalsContact CE2-CE 3.43Å; W39-K43 HydrophobicContact CE3-CD 3.78Å; W39-K43 HydrophobicContact CH2-CD 4.11Å; W39-K43 HydrophobicContact CZ2-CD 4.11Å; W39-K43 HydrophobicContact CZ3-CD 3.88Å; W39-K43 WeakPolarHBondContact O-CB 3.26Å; W39-K43 WeakPolarHBondContact O-CG 3.48Å; W39-K43 PolarHBondContact O-N 3.21Å; N40-K43 WeakPolarHBondContact O-CB 3.42Å; N40-K43 PolarHBondContact O-N 3.18Å; A41-K43 VanDerWaalsContact C-N 3.29Å; A41-K43 PolarHBondContact O-N 3.36Å; K43-C45 PolarHBondContact O-N 3.02Å; K43-G46 PolarHBondContact O-N 3.22Å; K43-T48 HydrophobicContact CB-CG2 4.07Å; K43-T48 HydrophobicContact CG-CG2 3.47Å; K43-T48 VanDerWaalsContact CG-CG2 3.47Å
44G81.5Confident84.5Confident46 Ų4652.8 Ų52.847%0.47434%0.338SS..Hα-helixtrans-55.3-39.217500000112.1N40 A41 G46N40-G44 PolarHBondContact O-N 3.19Å; A41-G44 WeakPolarHBondContact O-CA 3.05Å; A41-G44 PolarHBondContact O-N 3.05Å; G44-G46 VanDerWaalsContact C-N 3.25Å; G44-G46 PolarHBondContact O-N 2.98Å
45C83.8Confident84.5Confident11 Ų1152.4 Ų52.47%0.07434%0.339CS..THydrogen-bonded Turntrans-71-11175.9-62.20000115A41 L42 K43 L47 L147A41-C45 PolarHBondContact O-N 3.02Å; A41-C45 PolarHBondContact O-SG 3.07Å; L42-C45 WeakPolarHBondContact O-CB 3.33Å; L42-C45 PolarHBondContact O-N 3.27Å; K43-C45 PolarHBondContact O-N 3.02Å; C45-L47 VanDerWaalsContact C-N 3.32Å; C45-L47 HydrophobicContact CB-CD1 4.46Å; C45-L47 PolarHBondContact O-N 3.09Å; C45-L147 HydrophobicContact CB-CD2 3.7Å; C45-L147 HydrophobicContact CB-CG 4.47Å
46G80.5Confident84.6Confident58 Ų5852.5 Ų52.560%0.59834%0.342SS*.THydrogen-bonded Turntrans75.211.8-17900000115.5L42 K43 G44 T48L42-G46 PolarHBondContact O-N 3.41Å; K43-G46 PolarHBondContact O-N 3.22Å; G44-G46 VanDerWaalsContact C-N 3.25Å; G44-G46 PolarHBondContact O-N 2.98Å; G46-T48 PolarHBondContact O-N 2.64Å
47L77.4Confident84.7Confident44 Ų4447.5 Ų47.523%0.2332%0.316CS..  trans-99.235.4-173.3-74.6168000113.6L42 C45 N76 L77 A80 L147L42-L47 HydrophobicContact CD1-CB 3.97Å; L42-L47 PolarHBondContact O-N 3.02Å; C45-L47 VanDerWaalsContact C-N 3.32Å; C45-L47 HydrophobicContact CB-CD1 4.46Å; C45-L47 PolarHBondContact O-N 3.09Å; L47-N76 HydrophobicContact CD2-CB 4.05Å; L47-L77 HydrophobicContact CD1-CD2 3.46Å; L47-L77 VanDerWaalsContact CD1-CD2 3.46Å; L47-L77 HydrophobicContact CD1-CG 3.9Å; L47-A80 HydrophobicContact CD1-CB 4.16Å; L47-L147 HydrophobicContact CD1-CD2 4.19Å
48T74.6Confident84.9Confident52 Ų5248.8 Ų48.832%0.31931%0.314SS..  trans-94.3-5.8-172.955.20000115K43 G46 S50 I51K43-T48 HydrophobicContact CB-CG2 4.07Å; K43-T48 HydrophobicContact CG-CG2 3.47Å; K43-T48 VanDerWaalsContact CG-CG2 3.47Å; G46-T48 PolarHBondContact O-N 2.64Å; T48-S50 PolarHBondContact O-N 3Å; T48-I51 CarbonylContact O-C 3.58Å; T48-I51 PolarHBondContact O-N 3.39Å; T48-I51 VanDerWaalsContact O-O 3.08Å
49A74.2Confident84.9Confident112 Ų11255 Ų5593%0.92634%0.341SS*.THydrogen-bonded Turntrans-56.9-27.2-173.400000113.6
50S76.6Confident85Confident86 Ų8652.9 Ų52.960%0.60133%0.333SS*.THydrogen-bonded Turntrans-98.4-5.6179-1670000114.4T48T48-S50 PolarHBondContact O-N 3Å
51I84.4Confident85.2Confident9 Ų948.6 Ų48.65%0.04631%0.311CS..  trans-134.6105.7-169.8-54.9-179.4000109.9L42 T48 A56 L57 I60 L73L42-I51 HydrophobicContact CD2-CD1 3.84Å; T48-I51 CarbonylContact O-C 3.58Å; T48-I51 PolarHBondContact O-N 3.39Å; T48-I51 VanDerWaalsContact O-O 3.08Å; I51-A56 HydrophobicContact CG2-CB 4.14Å; I51-L57 HydrophobicContact CD1-CD1 4.07Å; I51-L57 HydrophobicContact CG2-CB 3.95Å; I51-I60 HydrophobicContact CD1-CD1 3.55Å; I51-I60 HydrophobicContact CG1-CD1 3.63Å; I51-I60 HydrophobicContact CG2-CD1 4.42Å; I51-L73 HydrophobicContact CD1-CD1 3.92Å; I51-L73 HydrophobicContact CD1-CD2 4.03Å; I51-L73 HydrophobicContact CD1-CG 4.49Å
52P82.2Confident85.4Confident105 Ų10551.7 Ų51.768%0.68233%0.325SS*.  trans-72.7-40.8-171.626.5-34.2000113.9A56P52-A56 HydrophobicContact CG-CB 3.83Å
53D86.4Confident85.3Confident71 Ų7156.7 Ų56.738%0.3835%0.349SS..SBendtrans-146.9171.3-171.764.2-1.5000112.6V55 A56 L57D53-V55 PolarHBondContact O-N 2.76Å; D53-A56 PolarHBondContact O-N 3.11Å; D53-A56 WeakPolarHBondContact OD1-CB 3.37Å; D53-A56 PolarHBondContact OD1-N 2.95Å; D53-L57 PolarHBondContact O-N 3.47Å; D53-L57 VanDerWaalsContact O-N 3.13Å
54A88.5Confident85.4Confident12 Ų1252.1 Ų52.110%0.09933%0.329CS..Hα-helixtrans-61.8-28.6177.900000112.4W39 L57 E58W39-A54 HydrophobicContact CB-CB 3.89Å; W39-A54 HydrophobicContact CD2-CB 4.47Å; W39-A54 HydrophobicContact CG-CB 4.07Å; A54-L57 PolarHBondContact O-N 3.33Å; A54-E58 WeakPolarHBondContact O-CB 3.29Å; A54-E58 PolarHBondContact O-N 2.9Å
55V90.3Very high85.7Confident79 Ų7951.2 Ų51.248%0.47932%0.315SS..Hα-helixtrans-70.3-41.8177.8-177.90000111.2D53 L57 E58 K59D53-V55 PolarHBondContact O-N 2.76Å; V55-L57 VanDerWaalsContact C-N 3.34Å; V55-E58 PolarHBondContact O-N 2.84Å; V55-K59 WeakPolarHBondContact O-CG 3.33Å; V55-K59 PolarHBondContact O-N 3.45Å
56A89.6Confident85.7Confident20 Ų2060.6 Ų60.617%0.16535%0.349CS..Hα-helixtrans-64.1-40.2173.200000111.5I51 P52 D53 E58 K59 I60I51-A56 HydrophobicContact CG2-CB 4.14Å; P52-A56 HydrophobicContact CG-CB 3.83Å; D53-A56 PolarHBondContact O-N 3.11Å; D53-A56 WeakPolarHBondContact OD1-CB 3.37Å; D53-A56 PolarHBondContact OD1-N 2.95Å; A56-E58 VanDerWaalsContact C-N 3.32Å; A56-E58 PolarHBondContact O-N 3.32Å; A56-K59 PolarHBondContact O-N 3.09Å; A56-I60 WeakPolarHBondContact O-CG1 3.34Å; A56-I60 PolarHBondContact O-N 3.26Å
57L90.7Very high86.1Confident0 Ų058.6 Ų58.60%033%0.325CS..Hα-helixtrans-60.3-43.6173.5-178.859.9000111.5L38 W39 L42 I51 D53 A54 V55 K59 I60 L61 L73L38-L57 HydrophobicContact CB-CD2 4.31Å; L38-L57 HydrophobicContact CD2-CD2 3.91Å; L38-L57 HydrophobicContact CD2-CG 4.47Å; L38-L57 HydrophobicContact CG-CD2 3.9Å; W39-L57 HydrophobicContact CB-CD2 4.02Å; L42-L57 HydrophobicContact CD2-CD1 4.19Å; I51-L57 HydrophobicContact CD1-CD1 4.07Å; I51-L57 HydrophobicContact CG2-CB 3.95Å; D53-L57 PolarHBondContact O-N 3.47Å; D53-L57 VanDerWaalsContact O-N 3.13Å; A54-L57 PolarHBondContact O-N 3.33Å; V55-L57 VanDerWaalsContact C-N 3.34Å; L57-K59 VanDerWaalsContact C-N 3.32Å; L57-K59 PolarHBondContact O-N 3.45Å; L57-I60 PolarHBondContact O-N 3.38Å; L57-L61 HydrophobicContact CG-CD1 4.44Å; L57-L61 WeakPolarHBondContact O-CG 3.38Å; L57-L61 PolarHBondContact O-N 2.98Å; L57-L73 HydrophobicContact CD1-CD2 4Å
58E91.6Very high86.6Confident72 Ų7258.8 Ų58.834%0.33633%0.333SS..Hα-helixtrans-61.3-40.5177.3-173.8169.7-163.400112M35 A54 V55 A56 L61 D62 K133M35-E58 HydrophobicContact CE-CG 4.28Å; M35-E58 HydrophobicContact CG-CB 4.3Å; M35-E58 HydrophobicContact CG-CG 4.33Å; M35-E58 HydrophobicContact SD-CB 4.48Å; A54-E58 WeakPolarHBondContact O-CB 3.29Å; A54-E58 PolarHBondContact O-N 2.9Å; V55-E58 PolarHBondContact O-N 2.84Å; A56-E58 VanDerWaalsContact C-N 3.32Å; A56-E58 PolarHBondContact O-N 3.32Å; E58-L61 PolarHBondContact O-N 3.26Å; E58-D62 PolarHBondContact O-N 3.36Å; E58-K133 IonicContact OE1-NZ 3.79Å; E58-K133 PolarHBondContact OE1-NZ 3.31Å
59K91.7Very high87.3Confident131 Ų13161.2 Ų61.257%0.5734%0.341SS*.Hα-helixtrans-62.4-45.2174.8-70.7174.6-176.8175.90112.3V55 A56 L57 L61 D62 E63V55-K59 WeakPolarHBondContact O-CG 3.33Å; V55-K59 PolarHBondContact O-N 3.45Å; A56-K59 PolarHBondContact O-N 3.09Å; L57-K59 VanDerWaalsContact C-N 3.32Å; L57-K59 PolarHBondContact O-N 3.45Å; K59-L61 VanDerWaalsContact C-N 3.28Å; K59-L61 PolarHBondContact O-N 3.28Å; K59-D62 WeakPolarHBondContact O-CB 3.26Å; K59-D62 PolarHBondContact O-N 3.35Å; K59-E63 WeakPolarHBondContact O-CG 3.35Å; K59-E63 PolarHBondContact O-N 3.12Å; K59-E63 VanDerWaalsContact O-N 3.13Å
60I91.1Very high88.1Confident4 Ų455.9 Ų55.92%0.02130%0.297CS..Hα-helixtrans-59.5-43.2176.3-68.2166.4000110.6I51 A56 L57 D62 E63 G64 Q69 F70 L73I51-I60 HydrophobicContact CD1-CD1 3.55Å; I51-I60 HydrophobicContact CG1-CD1 3.63Å; I51-I60 HydrophobicContact CG2-CD1 4.42Å; A56-I60 WeakPolarHBondContact O-CG1 3.34Å; A56-I60 PolarHBondContact O-N 3.26Å; L57-I60 PolarHBondContact O-N 3.38Å; I60-D62 VanDerWaalsContact C-N 3.26Å; I60-D62 PolarHBondContact O-N 2.9Å; I60-E63 PolarHBondContact O-N 3.23Å; I60-G64 PolarHBondContact O-N 3.15Å; I60-G64 VanDerWaalsContact O-N 3.11Å; I60-Q69 HydrophobicContact CD1-CB 4.31Å; I60-Q69 HydrophobicContact CG1-CB 4.01Å; I60-Q69 VanDerWaalsContact CG1-OE1 3.26Å; I60-Q69 HydrophobicContact CG2-CB 4.27Å; I60-F70 HydrophobicContact CG2-CB 3.86Å; I60-F70 HydrophobicContact CG2-CD2 4.3Å; I60-L73 HydrophobicContact CG2-CD2 4.42Å
61L91.7Very high88.8Confident0 Ų052 Ų520%027%0.269CS..Hα-helixtrans-66.9-25.3175.7-71.2179.5000113M35 L38 L57 E58 K59 F70 R136 Y137 V140M35-L61 HydrophobicContact CE-CD1 4.07Å; M35-L61 HydrophobicContact SD-CD1 3.82Å; L38-L61 HydrophobicContact CD2-CD1 3.74Å; L57-L61 HydrophobicContact CG-CD1 4.44Å; L57-L61 WeakPolarHBondContact O-CG 3.38Å; L57-L61 PolarHBondContact O-N 2.98Å; E58-L61 PolarHBondContact O-N 3.26Å; K59-L61 VanDerWaalsContact C-N 3.28Å; K59-L61 PolarHBondContact O-N 3.28Å; L61-F70 HydrophobicContact CD2-CD2 4.25Å; L61-F70 HydrophobicContact CD2-CE2 3.92Å; L61-R136 HydrophobicContact CD2-CB 4.08Å; L61-R136 WeakPolarHBondContact O-CD 3.42Å; L61-R136 PolarHBondContact O-NE 3.16Å; L61-R136 PolarHBondContact O-NH1 3.44Å; L61-R136 PolarHBondContact O-NH2 3.38Å; L61-Y137 HydrophobicContact CD1-CD2 4.3Å; L61-V140 HydrophobicContact CD2-CG2 3.87Å
62D90.7Very high89.1Confident78 Ų7856.1 Ų56.142%0.41729%0.289SS..Hα-helixtrans-77.7-28.8176.1-79.4-29.4000112.9E58 K59 I60 K133 R136E58-D62 PolarHBondContact O-N 3.36Å; K59-D62 WeakPolarHBondContact O-CB 3.26Å; K59-D62 PolarHBondContact O-N 3.35Å; I60-D62 VanDerWaalsContact C-N 3.26Å; I60-D62 PolarHBondContact O-N 2.9Å; D62-K133 WeakPolarHBondContact OD1-CD 3.44Å; D62-K133 WeakPolarHBondContact OD1-CE 3.22Å; D62-K133 IonicContact OD1-NZ 3.83Å; D62-K133 PolarHBondContact OD1-NZ 2.71Å; D62-K133 IonicContact OD2-NZ 3.09Å; D62-K133 PolarHBondContact OD2-NZ 2.77Å; D62-R136 PolarHBondContact O-NH1 3.37Å; D62-R136 PolarHBondContact O-NH2 3.35Å
63E88.3Confident89.5Confident105 Ų10551.5 Ų51.549%0.49126%0.258SS..Hα-helixtrans-81.5-38.1176.3-60.2174.5178.800113K59 I60 S67K59-E63 WeakPolarHBondContact O-CG 3.35Å; K59-E63 PolarHBondContact O-N 3.12Å; K59-E63 VanDerWaalsContact O-N 3.13Å; I60-E63 PolarHBondContact O-N 3.23Å; E63-S67 VanDerWaalsContact CB-CB 3.48Å; E63-S67 WeakPolarHBondContact OE2-CB 3.4Å; E63-S67 PolarHBondContact OE2-OG 3.06Å
64G88.6Confident89.8Confident0 Ų048.1 Ų48.10%024%0.24CC..G310 helixtrans66.3-151.5171.900000114.7I60 R66 S67 F70 R136I60-G64 PolarHBondContact O-N 3.15Å; I60-G64 VanDerWaalsContact O-N 3.11Å; G64-R66 PolarHBondContact O-N 3.18Å; G64-S67 WeakPolarHBondContact O-CB 3.36Å; G64-S67 PolarHBondContact O-N 3.4Å; G64-F70 VanDerWaalsContact C-CD1 3.42Å; G64-F70 WeakPolarHBondContact O-CB 3.37Å; G64-F70 WeakPolarHBondContact O-CG 3.24Å; G64-R136 VanDerWaalsContact CA-CD 3.4Å
65P86.1Confident89.9Confident27 Ų2747.6 Ų47.618%0.17524%0.235CC..G310 helixtrans-66.8-10-165.527.9-36.6000115.4S67 F70 T71 V100 L130P65-S67 VanDerWaalsContact C-N 3.34Å; P65-F70 HydrophobicContact CB-CE1 4.47Å; P65-T71 WeakPolarHBondContact O-CG2 3.19Å; P65-V100 HydrophobicContact CB-CG1 3.94Å; P65-L130 HydrophobicContact CB-CD1 4.4Å; P65-L130 HydrophobicContact CG-CB 4.13Å
66R85Confident90Very high208 Ų20846.5 Ų46.579%0.78523%0.227SC*.G310 helixtrans-86.2-7.6173.7-64.2-175.5-178.4-173.7-0.7113G64G64-R66 PolarHBondContact O-N 3.18Å
67S88.5Confident90Very high15 Ų1545.6 Ų45.611%0.10522%0.219CC..SBendtrans-97.8132.1176.41760000111.1E63 G64 P65 Q69 F70 T71E63-S67 VanDerWaalsContact CB-CB 3.48Å; E63-S67 WeakPolarHBondContact OE2-CB 3.4Å; E63-S67 PolarHBondContact OE2-OG 3.06Å; G64-S67 WeakPolarHBondContact O-CB 3.36Å; G64-S67 PolarHBondContact O-N 3.4Å; P65-S67 VanDerWaalsContact C-N 3.34Å; S67-Q69 PolarHBondContact O-N 3.43Å; S67-Q69 PolarHBondContact OG-N 3.49Å; S67-F70 PolarHBondContact O-N 3.29Å; S67-T71 PolarHBondContact O-N 3.49Å; S67-T71 VanDerWaalsContact O-N 3.16Å; S67-T71 PolarHBondContact O-OG1 3.31Å
68A88.4Confident90Very high49 Ų4945.6 Ų45.641%0.40522%0.219SC..Hα-helixtrans-56.4-35.8172.600000111.9T71 Q72 L97A68-T71 PolarHBondContact O-OG1 3.45Å; A68-T71 VanDerWaalsContact O-OG1 3.1Å; A68-Q72 WeakPolarHBondContact O-CB 3.5Å; A68-Q72 PolarHBondContact O-N 3.36Å; A68-L97 HydrophobicContact CB-CD1 4.24Å
69Q88.6Confident89.9Confident102 Ų10246.2 Ų46.248%0.47722%0.221SC..Hα-helixtrans-66.6-41.6-178.3-64.4-173.1-3.200111.6I60 S67 L73I60-Q69 HydrophobicContact CD1-CB 4.31Å; I60-Q69 HydrophobicContact CG1-CB 4.01Å; I60-Q69 VanDerWaalsContact CG1-OE1 3.26Å; I60-Q69 HydrophobicContact CG2-CB 4.27Å; S67-Q69 PolarHBondContact O-N 3.43Å; S67-Q69 PolarHBondContact OG-N 3.49Å; Q69-L73 WeakPolarHBondContact O-CB 3.41Å; Q69-L73 PolarHBondContact O-N 3.43Å
70F91.7Very high89.7Confident0 Ų041 Ų410%020%0.202CC..Hα-helixtrans-68.7-46.4178.4177.4-90.7000111.6I60 L61 G64 P65 S67 Q72 L73 V74 L130 R136 L139 V140I60-F70 HydrophobicContact CG2-CB 3.86Å; I60-F70 HydrophobicContact CG2-CD2 4.3Å; L61-F70 HydrophobicContact CD2-CD2 4.25Å; L61-F70 HydrophobicContact CD2-CE2 3.92Å; G64-F70 VanDerWaalsContact C-CD1 3.42Å; G64-F70 WeakPolarHBondContact O-CB 3.37Å; G64-F70 WeakPolarHBondContact O-CG 3.24Å; P65-F70 HydrophobicContact CB-CE1 4.47Å; S67-F70 PolarHBondContact O-N 3.29Å; F70-Q72 VanDerWaalsContact C-N 3.29Å; F70-Q72 PolarHBondContact O-N 2.7Å; F70-L73 WeakPolarHBondContact O-CB 3.42Å; F70-L73 PolarHBondContact O-N 3.36Å; F70-V74 HydrophobicContact CD1-CG2 4.4Å; F70-V74 HydrophobicContact CE1-CG2 3.96Å; F70-V74 HydrophobicContact CE2-CG2 4.48Å; F70-V74 HydrophobicContact CZ-CG2 4.01Å; F70-V74 WeakPolarHBondContact O-CG2 3.32Å; F70-V74 PolarHBondContact O-N 2.9Å; F70-L130 HydrophobicContact CE1-CD1 3.99Å; F70-L130 HydrophobicContact CZ-CD1 4.26Å; F70-R136 HydrophobicContact CE2-CB 3.93Å; F70-R136 HydrophobicContact CE2-CG 4.09Å; F70-R136 HydrophobicContact CZ-CB 4.2Å; F70-R136 HydrophobicContact CZ-CG 4Å; F70-L139 HydrophobicContact CZ-CD2 4.11Å; F70-V140 HydrophobicContact CE2-CG2 4.32Å
71T91.4Very high89.5Confident4 Ų440.8 Ų40.83%0.02520%0.201CC..Hα-helixtrans-65.7-35.5179.254.90000111.5P65 S67 A68 V74 S75 P94 F103P65-T71 WeakPolarHBondContact O-CG2 3.19Å; S67-T71 PolarHBondContact O-N 3.49Å; S67-T71 VanDerWaalsContact O-N 3.16Å; S67-T71 PolarHBondContact O-OG1 3.31Å; A68-T71 PolarHBondContact O-OG1 3.45Å; A68-T71 VanDerWaalsContact O-OG1 3.1Å; T71-V74 PolarHBondContact O-N 3.44Å; T71-S75 VanDerWaalsContact O-CB 3.25Å; T71-S75 WeakPolarHBondContact O-CB 2.97Å; T71-S75 PolarHBondContact O-N 2.89Å; T71-P94 HydrophobicContact CG2-CG 3.95Å; T71-F103 HydrophobicContact CG2-CD2 4.45Å; T71-F103 HydrophobicContact CG2-CE1 4.27Å; T71-F103 HydrophobicContact CG2-CE2 4.16Å; T71-F103 HydrophobicContact CG2-CZ 4.07Å
72Q90.5Very high89.2Confident96 Ų9642.4 Ų42.445%0.44921%0.212SC..Hα-helixtrans-68.7-38.9174.9-173.2162.711.100112.2A68 F70 S75 N76A68-Q72 WeakPolarHBondContact O-CB 3.5Å; A68-Q72 PolarHBondContact O-N 3.36Å; F70-Q72 VanDerWaalsContact C-N 3.29Å; F70-Q72 PolarHBondContact O-N 2.7Å; Q72-S75 PolarHBondContact O-N 3.41Å; Q72-N76 WeakPolarHBondContact O-CB 3.37Å; Q72-N76 PolarHBondContact O-N 3.16Å; Q72-N76 PolarHBondContact O-ND2 3.02Å; Q72-N76 PolarHBondContact O-OD1 2.88Å
73L91.1Very high88.9Confident9 Ų945.8 Ų45.85%0.04723%0.229CC..Hα-helixtrans-59.3-48.3173.3177.162.8000111.5L42 I51 L57 I60 Q69 F70 N76 L77 V140L42-L73 HydrophobicContact CD1-CD1 3.9Å; L42-L73 HydrophobicContact CD2-CD1 4.07Å; I51-L73 HydrophobicContact CD1-CD1 3.92Å; I51-L73 HydrophobicContact CD1-CD2 4.03Å; I51-L73 HydrophobicContact CD1-CG 4.49Å; L57-L73 HydrophobicContact CD1-CD2 4Å; I60-L73 HydrophobicContact CG2-CD2 4.42Å; Q69-L73 WeakPolarHBondContact O-CB 3.41Å; Q69-L73 PolarHBondContact O-N 3.43Å; F70-L73 WeakPolarHBondContact O-CB 3.42Å; F70-L73 PolarHBondContact O-N 3.36Å; L73-N76 PolarHBondContact O-N 3.12Å; L73-L77 HydrophobicContact CD1-CD1 4.24Å; L73-L77 HydrophobicContact CG-CD1 4.18Å; L73-L77 WeakPolarHBondContact O-CG 3.3Å; L73-L77 PolarHBondContact O-N 3.37Å; L73-V140 HydrophobicContact CD2-CG1 4.32Å; L73-V140 HydrophobicContact CD2-CG2 4.23Å
74V92.2Very high88.4Confident0 Ų044.3 Ų44.30%022%0.223CC..Hα-helixtrans-65.1-42.1178.8175.10000111.5F70 T71 L77 S78 V91 F103 L107 L139 L143F70-V74 HydrophobicContact CD1-CG2 4.4Å; F70-V74 HydrophobicContact CE1-CG2 3.96Å; F70-V74 HydrophobicContact CE2-CG2 4.48Å; F70-V74 HydrophobicContact CZ-CG2 4.01Å; F70-V74 WeakPolarHBondContact O-CG2 3.32Å; F70-V74 PolarHBondContact O-N 2.9Å; T71-V74 PolarHBondContact O-N 3.44Å; V74-L77 PolarHBondContact O-N 2.85Å; V74-S78 WeakPolarHBondContact O-CB 3.47Å; V74-S78 PolarHBondContact O-N 3.08Å; V74-V91 HydrophobicContact CG1-CG1 4.36Å; V74-F103 HydrophobicContact CB-CE2 4.28Å; V74-F103 HydrophobicContact CB-CZ 3.97Å; V74-F103 HydrophobicContact CG1-CE2 4.15Å; V74-F103 HydrophobicContact CG1-CZ 3.84Å; V74-F103 HydrophobicContact CG2-CZ 4.42Å; V74-L107 HydrophobicContact CG1-CD1 3.84Å; V74-L139 HydrophobicContact CG1-CD2 4.42Å; V74-L139 HydrophobicContact CG2-CD2 3.92Å; V74-L143 HydrophobicContact CG1-CD1 4.06Å
75S90.6Very high87.8Confident0 Ų045.9 Ų45.90%023%0.232CC..Hα-helixtrans-60.8-45175.3173.40000112T71 Q72 L77 S78 K79 V91 C93T71-S75 VanDerWaalsContact O-CB 3.25Å; T71-S75 WeakPolarHBondContact O-CB 2.97Å; T71-S75 PolarHBondContact O-N 2.89Å; Q72-S75 PolarHBondContact O-N 3.41Å; S75-L77 PolarHBondContact O-N 3.27Å; S75-S78 PolarHBondContact O-N 3.44Å; S75-K79 WeakPolarHBondContact O-CG 3.25Å; S75-K79 PolarHBondContact O-N 3.38Å; S75-V91 WeakPolarHBondContact CA-O 3.38Å; S75-V91 WeakPolarHBondContact CB-O 3.12Å; S75-V91 PolarHBondContact OG-O 3.19Å; S75-C93 VanDerWaalsContact CB-SG 3.52Å; S75-C93 PolarHBondContact OG-SG 2.87Å; S75-C93 VanDerWaalsContact OG-SG 3.38Å
76N91.4Very high87.3Confident57 Ų5752.5 Ų52.531%0.30527%0.266SS..Hα-helixtrans-64-41.2176.9-70.5-14.4000112.1L47 Q72 L73 K79 A80L47-N76 HydrophobicContact CD2-CB 4.05Å; Q72-N76 WeakPolarHBondContact O-CB 3.37Å; Q72-N76 PolarHBondContact O-N 3.16Å; Q72-N76 PolarHBondContact O-ND2 3.02Å; Q72-N76 PolarHBondContact O-OD1 2.88Å; L73-N76 PolarHBondContact O-N 3.12Å; N76-K79 PolarHBondContact O-N 3.26Å; N76-A80 WeakPolarHBondContact O-CB 3.29Å; N76-A80 PolarHBondContact O-N 3.03Å
77L90.5Very high86.8Confident0 Ų044 Ų440%024%0.236CC..Hα-helixtrans-63.8-43.4175.2-76.9165.6000111.8L42 L47 L73 V74 S75 A80 L81 V140 L143 L147L42-L77 HydrophobicContact CD1-CD2 4.16Å; L47-L77 HydrophobicContact CD1-CD2 3.46Å; L47-L77 VanDerWaalsContact CD1-CD2 3.46Å; L47-L77 HydrophobicContact CD1-CG 3.9Å; L73-L77 HydrophobicContact CD1-CD1 4.24Å; L73-L77 HydrophobicContact CG-CD1 4.18Å; L73-L77 WeakPolarHBondContact O-CG 3.3Å; L73-L77 PolarHBondContact O-N 3.37Å; V74-L77 PolarHBondContact O-N 2.85Å; S75-L77 PolarHBondContact O-N 3.27Å; L77-A80 PolarHBondContact O-N 2.8Å; L77-L81 WeakPolarHBondContact O-CG 3.46Å; L77-L81 PolarHBondContact O-N 3.32Å; L77-V140 HydrophobicContact CD1-CG1 4.09Å; L77-L143 HydrophobicContact CB-CB 4.18Å; L77-L143 HydrophobicContact CB-CD1 4.17Å; L77-L143 HydrophobicContact CD1-CB 4.16Å; L77-L143 HydrophobicContact CD1-CD1 4.35Å; L77-L147 HydrophobicContact CD2-CD2 4.11Å
78S90.7Very high86.1Confident0 Ų051.7 Ų51.70%027%0.27CS..Hα-helixtrans-61.8-46.2176.1175.30000111.5V74 S75 A80 L81 C82 Q90 V91V74-S78 WeakPolarHBondContact O-CB 3.47Å; V74-S78 PolarHBondContact O-N 3.08Å; S75-S78 PolarHBondContact O-N 3.44Å; S78-A80 PolarHBondContact O-N 3.48Å; S78-L81 WeakPolarHBondContact O-CB 3.25Å; S78-L81 PolarHBondContact O-N 2.89Å; S78-C82 PolarHBondContact O-N 3.02Å; S78-C82 PolarHBondContact O-SG 3.36Å; S78-Q90 WeakPolarHBondContact OG-CA 3.19Å; S78-V91 PolarHBondContact OG-N 3.35Å
79K89.6Confident85.6Confident85 Ų8553 Ų5337%0.3727%0.268SS..Hα-helixtrans-63.4-41177.2-71.3173.9-176-179.60112.5S75 N76 L81 C82 L83S75-K79 WeakPolarHBondContact O-CG 3.25Å; S75-K79 PolarHBondContact O-N 3.38Å; N76-K79 PolarHBondContact O-N 3.26Å; K79-L81 VanDerWaalsContact C-N 3.28Å; K79-L81 PolarHBondContact O-N 2.89Å; K79-C82 PolarHBondContact O-N 3.33Å; K79-L83 WeakPolarHBondContact O-CG 3.46Å; K79-L83 PolarHBondContact O-N 3.48Å; K79-L83 VanDerWaalsContact O-N 3.11Å
80A86.7Confident85.2Confident21 Ų2152.6 Ų52.617%0.17427%0.266CS..Hα-helixtrans-62.3-38.117500000111.7L47 N76 L77 S78 L83 E84 L147L47-A80 HydrophobicContact CD1-CB 4.16Å; N76-A80 WeakPolarHBondContact O-CB 3.29Å; N76-A80 PolarHBondContact O-N 3.03Å; L77-A80 PolarHBondContact O-N 2.8Å; S78-A80 PolarHBondContact O-N 3.48Å; A80-L83 PolarHBondContact O-N 2.91Å; A80-E84 PolarHBondContact O-N 3.49Å; A80-L147 HydrophobicContact CB-CD1 4Å; A80-L147 HydrophobicContact CB-CD2 3.7Å
81L87.3Confident84.9Confident0 Ų052.6 Ų52.60%027%0.266CS..Hα-helixtrans-62.6-49172.8-81.2164000111.7L77 S78 K79 L83 E84 T85 L87 L143 E146 L147L77-L81 WeakPolarHBondContact O-CG 3.46Å; L77-L81 PolarHBondContact O-N 3.32Å; S78-L81 WeakPolarHBondContact O-CB 3.25Å; S78-L81 PolarHBondContact O-N 2.89Å; K79-L81 VanDerWaalsContact C-N 3.28Å; K79-L81 PolarHBondContact O-N 2.89Å; L81-L83 PolarHBondContact O-N 3.46Å; L81-E84 PolarHBondContact O-N 3.49Å; L81-E84 VanDerWaalsContact O-N 3.07Å; L81-T85 WeakPolarHBondContact O-CB 3.2Å; L81-T85 PolarHBondContact O-N 2.92Å; L81-T85 PolarHBondContact O-OG1 3.3Å; L81-L87 HydrophobicContact CB-CD1 4.37Å; L81-L143 HydrophobicContact CD1-CB 4.35Å; L81-L143 HydrophobicContact CD1-CD2 3.76Å; L81-E146 HydrophobicContact CD2-CB 3.97Å; L81-L147 HydrophobicContact CD2-CB 3.86Å; L81-L147 HydrophobicContact CD2-CD1 4.18Å; L81-L147 HydrophobicContact CG-CB 4.1Å; L81-L147 HydrophobicContact CG-CD1 4.22Å
82C85.7Confident84.7Confident34 Ų3455.3 Ų55.323%0.2328%0.28CS..Hα-helixtrans-62.7-22179-58.60000113.8S78 K79 T85 E89S78-C82 PolarHBondContact O-N 3.02Å; S78-C82 PolarHBondContact O-SG 3.36Å; K79-C82 PolarHBondContact O-N 3.33Å; C82-T85 CarbonylContact C-O 3.19Å; C82-E89 PolarHBondContact SG-O 3.08Å
83L83.8Confident84.3Confident149 Ų14953.5 Ų53.578%0.7828%0.278SS*.Hα-helixtrans-77.1-33.5174.2-71.9173.2000112.5K79 A80 L81K79-L83 WeakPolarHBondContact O-CG 3.46Å; K79-L83 PolarHBondContact O-N 3.48Å; K79-L83 VanDerWaalsContact O-N 3.11Å; A80-L83 PolarHBondContact O-N 2.91Å; L81-L83 PolarHBondContact O-N 3.46Å
84E77.7Confident83.8Confident75 Ų7554.3 Ų54.335%0.3528%0.284SS..Hα-helixtrans-95.5-16.3-176.9-65.8-65.8161.900113.2A80 L81 L147 Q151 S154A80-E84 PolarHBondContact O-N 3.49Å; L81-E84 PolarHBondContact O-N 3.49Å; L81-E84 VanDerWaalsContact O-N 3.07Å; E84-L147 HydrophobicContact CG-CD1 4.35Å; E84-Q151 HydrophobicContact CG-CG 4.29Å; E84-S154 WeakPolarHBondContact OE2-CB 3.13Å; E84-S154 PolarHBondContact OE2-OG 3.39Å
85T76.1Confident83.1Confident33 Ų3360 Ų6020%0.20233%0.331CS..SBendtrans-126.7149.7-17760.80000110.6L81 C82 L87 S150L81-T85 WeakPolarHBondContact O-CB 3.2Å; L81-T85 PolarHBondContact O-N 2.92Å; L81-T85 PolarHBondContact O-OG1 3.3Å; C82-T85 CarbonylContact C-O 3.19Å; T85-L87 PolarHBondContact O-N 2.95Å; T85-L87 WeakPolarHBondContact OG1-CD1 3.3Å; T85-L87 WeakPolarHBondContact OG1-CG 3.37Å; T85-S150 WeakPolarHBondContact CG2-OG 3.47Å
86D75Confident82.5Confident165 Ų16564.7 Ų64.788%0.88236%0.356SS*.  trans-76.344.2175.1-57.8-46.7000111.4
87L75.2Confident81.8Confident29 Ų2965.4 Ų65.415%0.15236%0.359CS..  trans-81.6138178.2-70.2170.1000110.6L81 T85 L110 E113 M114L81-L87 HydrophobicContact CB-CD1 4.37Å; T85-L87 PolarHBondContact O-N 2.95Å; T85-L87 WeakPolarHBondContact OG1-CD1 3.3Å; T85-L87 WeakPolarHBondContact OG1-CG 3.37Å; L87-L110 HydrophobicContact CD1-CD1 4.03Å; L87-E113 VanDerWaalsContact CD2-CD 3.45Å; L87-E113 HydrophobicContact CD2-CG 3.81Å; L87-E113 WeakPolarHBondContact CD2-OE1 3.35Å; L87-M114 HydrophobicContact CD1-CG 4.15Å; L87-M114 HydrophobicContact CD1-SD 3.51Å; L87-M114 VanDerWaalsContact CD1-SD 3.51Å; L87-M114 HydrophobicContact CD2-CG 4.34Å; L87-M114 HydrophobicContact CD2-SD 3.66Å; L87-M114 HydrophobicContact CG-SD 4.13Å
88E73.3Confident81Confident177 Ų17769.6 Ų69.683%0.82739%0.394SS*.  trans-85.9-32.5177.5-63.4-176.5176.400111.7
89E79.2Confident80.5Confident76 Ų7673.9 Ų73.936%0.35542%0.417SS..  trans-87.1133.1-174.2-64.2-75.9166.200111.7C82 S109 L110 E113C82-E89 PolarHBondContact SG-O 3.08Å; E89-S109 WeakPolarHBondContact OE2-CB 3.14Å; E89-S109 PolarHBondContact OE2-OG 2.87Å; E89-L110 HydrophobicContact CB-CB 4.45Å; E89-L110 HydrophobicContact CB-CD1 4.46Å; E89-E113 WeakPolarHBondContact CB-OE2 3.43Å; E89-E113 VanDerWaalsContact CG-OE2 3.22Å; E89-E113 WeakPolarHBondContact CG-OE2 3.38Å
90Q80.5Confident80.3Confident94 Ų9471 Ų7144%0.43941%0.407SS..  trans-132.5144.6173.766.5-177.1-4500110.6S78S78-Q90 WeakPolarHBondContact OG-CA 3.19Å
91V84.9Confident80.3Confident0 Ų073.2 Ų73.20%042%0.42CS..PPolyproline II helixtrans-95.3119.4177.1-176.80000109.3V74 S75 S78 F103 E106 L107 L110V74-V91 HydrophobicContact CG1-CG1 4.36Å; S75-V91 WeakPolarHBondContact CA-O 3.38Å; S75-V91 WeakPolarHBondContact CB-O 3.12Å; S75-V91 PolarHBondContact OG-O 3.19Å; S78-V91 PolarHBondContact OG-N 3.35Å; V91-F103 HydrophobicContact CG1-CD2 3.46Å; V91-F103 VanDerWaalsContact CG1-CD2 3.46Å; V91-F103 HydrophobicContact CG1-CE2 3.34Å; V91-F103 HydrophobicContact CG1-CG 4.41Å; V91-F103 HydrophobicContact CG1-CZ 4.22Å; V91-E106 HydrophobicContact CG2-CB 4.32Å; V91-L107 HydrophobicContact CG2-CB 4.25Å; V91-L107 HydrophobicContact CG2-CD1 4.04Å; V91-L110 HydrophobicContact CG2-CB 4.26Å; V91-L110 HydrophobicContact CG2-CD2 3.79Å
92N86.2Confident80.3Confident61 Ų6175.8 Ų75.833%0.32644%0.442SS..PPolyproline II helixtrans-92.6154.3178.2-68.4-54.7000111.6F103 E106N92-F103 WeakPolarHBondContact O-CD2 3.43Å; N92-E106 PolarHBondContact N-OE2 3.15Å
93C83.7Confident80.5Confident59 Ų5974.3 Ų74.340%0.39943%0.431SS..PPolyproline II helixtrans-65.6132.4171.5-65.20000109.1S75 A95S75-C93 VanDerWaalsContact CB-SG 3.52Å; S75-C93 PolarHBondContact OG-SG 2.87Å; S75-C93 VanDerWaalsContact OG-SG 3.38Å; C93-A95 PolarHBondContact O-N 2.95Å
94P80.2Confident80.8Confident25 Ų2567.7 Ų67.716%0.16240%0.397CS..PPolyproline II helixtrans-63.3134.3175.425.9-31.7000110T71 D96 L97 F103T71-P94 HydrophobicContact CG2-CG 3.95Å; P94-D96 VanDerWaalsContact C-N 3.33Å; P94-L97 HydrophobicContact CG-CD2 4.21Å; P94-F103 HydrophobicContact CB-CB 4.32Å; P94-F103 HydrophobicContact CG-CB 4.42Å
95A77.5Confident81.3Confident120 Ų12069.6 Ų69.699%0.99241%0.409SS*.SBendtrans-70-33.2177.300000112C93C93-A95 PolarHBondContact O-N 2.95Å
96D77.6Confident82Confident99 Ų9970.7 Ų70.753%0.52941%0.412SS..  trans-123.6123173.9-175.44.2000109.8P94 A98 D99P94-D96 VanDerWaalsContact C-N 3.33Å; D96-A98 PolarHBondContact O-N 3.31Å; D96-A98 WeakPolarHBondContact OD1-CB 3.49Å; D96-A98 PolarHBondContact OD1-N 2.74Å; D96-D99 CarbonylContact O-C 3.31Å; D96-D99 PolarHBondContact O-N 3.47Å
97L76.5Confident82.8Confident72 Ų7263 Ų6338%0.37737%0.371SS..THydrogen-bonded Turntrans-70-12.7177.3-67.6170000112.6A68 P94 V100A68-L97 HydrophobicContact CB-CD1 4.24Å; P94-L97 HydrophobicContact CG-CD2 4.21Å; L97-V100 WeakPolarHBondContact O-CG2 3.32Å
98A73.3Confident83.5Confident88 Ų8862.2 Ų62.273%0.72737%0.367SS*.THydrogen-bonded Turntrans-75.1-30.5172.400000112.6D96D96-A98 PolarHBondContact O-N 3.31Å; D96-A98 WeakPolarHBondContact OD1-CB 3.49Å; D96-A98 PolarHBondContact OD1-N 2.74Å
99D81.2Confident84.3Confident89 Ų8955.4 Ų55.448%0.47634%0.339SS..  trans-112.382.7176.7-171.915.5000112.3D96 S101D96-D99 CarbonylContact O-C 3.31Å; D96-D99 PolarHBondContact O-N 3.47Å; D99-S101 PolarHBondContact O-N 3.09Å; D99-S101 WeakPolarHBondContact OD1-CB 3.46Å; D99-S101 PolarHBondContact OD1-N 3.2Å; D99-S101 VanDerWaalsContact OD1-N 3.08Å; D99-S101 PolarHBondContact OD1-OG 3.48Å
100V83.8Confident84.8Confident26 Ų2651.8 Ų51.816%0.15832%0.322CS..  trans-78.72.8176-161.70000111.7P65 L97 A102 F103 M104P65-V100 HydrophobicContact CB-CG1 3.94Å; L97-V100 WeakPolarHBondContact O-CG2 3.32Å; V100-A102 PolarHBondContact O-N 2.88Å; V100-F103 HydrophobicContact CG1-CB 4.21Å; V100-F103 HydrophobicContact CG1-CD1 3.75Å; V100-F103 HydrophobicContact CG1-CG 4.33Å; V100-F103 PolarHBondContact O-N 3.24Å; V100-M104 HydrophobicContact CG1-CG 4.04Å; V100-M104 WeakPolarHBondContact O-CG 3.46Å; V100-M104 PolarHBondContact O-N 3.14Å
101S87.2Confident85.4Confident66 Ų6647.5 Ų47.546%0.46230%0.302SS..Hα-helixtrans-65.4-44.1-171.3-49.50000112.2D99 M104 L105D99-S101 PolarHBondContact O-N 3.09Å; D99-S101 WeakPolarHBondContact OD1-CB 3.46Å; D99-S101 PolarHBondContact OD1-N 3.2Å; D99-S101 VanDerWaalsContact OD1-N 3.08Å; D99-S101 PolarHBondContact OD1-OG 3.48Å; S101-M104 PolarHBondContact O-N 3.02Å; S101-L105 WeakPolarHBondContact O-CG 3.33Å; S101-L105 PolarHBondContact O-N 3.35Å; S101-L105 VanDerWaalsContact O-N 3.09Å
102A87.1Confident85.6Confident55 Ų5553.9 Ų53.946%0.45533%0.33SS..Hα-helixtrans-61.8-48.9177.400000111.6V100 M104 L105 E106V100-A102 PolarHBondContact O-N 2.88Å; A102-M104 VanDerWaalsContact C-N 3.31Å; A102-M104 PolarHBondContact O-N 3.46Å; A102-L105 PolarHBondContact O-N 3.02Å; A102-L105 VanDerWaalsContact O-N 3.08Å; A102-E106 PolarHBondContact O-N 3.48Å
103F90.4Very high85.7Confident2 Ų254.7 Ų54.71%0.00933%0.332CS..Hα-helixtrans-55.3-44.4175.7171-93.4000112.3T71 V74 V91 N92 P94 V100 L105 L107 L130T71-F103 HydrophobicContact CG2-CD2 4.45Å; T71-F103 HydrophobicContact CG2-CE1 4.27Å; T71-F103 HydrophobicContact CG2-CE2 4.16Å; T71-F103 HydrophobicContact CG2-CZ 4.07Å; V74-F103 HydrophobicContact CB-CE2 4.28Å; V74-F103 HydrophobicContact CB-CZ 3.97Å; V74-F103 HydrophobicContact CG1-CE2 4.15Å; V74-F103 HydrophobicContact CG1-CZ 3.84Å; V74-F103 HydrophobicContact CG2-CZ 4.42Å; V91-F103 HydrophobicContact CG1-CD2 3.46Å; V91-F103 VanDerWaalsContact CG1-CD2 3.46Å; V91-F103 HydrophobicContact CG1-CE2 3.34Å; V91-F103 HydrophobicContact CG1-CG 4.41Å; V91-F103 HydrophobicContact CG1-CZ 4.22Å; N92-F103 WeakPolarHBondContact O-CD2 3.43Å; P94-F103 HydrophobicContact CB-CB 4.32Å; P94-F103 HydrophobicContact CG-CB 4.42Å; V100-F103 HydrophobicContact CG1-CB 4.21Å; V100-F103 HydrophobicContact CG1-CD1 3.75Å; V100-F103 HydrophobicContact CG1-CG 4.33Å; V100-F103 PolarHBondContact O-N 3.24Å; F103-L105 VanDerWaalsContact C-N 3.31Å; F103-L105 PolarHBondContact O-N 3.3Å; F103-L107 HydrophobicContact CE1-CD2 4.25Å; F103-L107 VanDerWaalsContact O-CB 3.26Å; F103-L107 WeakPolarHBondContact O-CB 3.43Å; F103-L107 PolarHBondContact O-N 3.45Å; F103-L130 HydrophobicContact CE1-CD1 4.47Å
104M89.8Confident85.8Confident11 Ų1153.4 Ų53.45%0.05432%0.321CS..Hα-helixtrans-69.5-28.1179.8-70.3-54.6-66.900113.2V100 S101 A102 L107 S108 S126 R129 L130V100-M104 HydrophobicContact CG1-CG 4.04Å; V100-M104 WeakPolarHBondContact O-CG 3.46Å; V100-M104 PolarHBondContact O-N 3.14Å; S101-M104 PolarHBondContact O-N 3.02Å; A102-M104 VanDerWaalsContact C-N 3.31Å; A102-M104 PolarHBondContact O-N 3.46Å; M104-L107 HydrophobicContact CE-CD2 4.47Å; M104-L107 HydrophobicContact SD-CD2 4.34Å; M104-S108 WeakPolarHBondContact O-CB 3.13Å; M104-S108 PolarHBondContact O-N 3.43Å; M104-S108 VanDerWaalsContact O-N 3.09Å; M104-S108 PolarHBondContact O-OG 3.25Å; M104-S126 WeakPolarHBondContact CE-O 3.48Å; M104-R129 HydrophobicContact CE-CB 4.33Å; M104-L130 HydrophobicContact CE-CD1 3.77Å; M104-L130 HydrophobicContact CE-CG 3.76Å; M104-L130 HydrophobicContact SD-CD1 3.61Å; M104-L130 HydrophobicContact SD-CG 4.24Å
105L89.2Confident86Confident115 Ų11557 Ų5760%0.60235%0.346SS*.Hα-helixtrans-73.2-48175.6-73.6173.2000111.3S101 A102 F103 L107 S108 S109S101-L105 WeakPolarHBondContact O-CG 3.33Å; S101-L105 PolarHBondContact O-N 3.35Å; S101-L105 VanDerWaalsContact O-N 3.09Å; A102-L105 PolarHBondContact O-N 3.02Å; A102-L105 VanDerWaalsContact O-N 3.08Å; F103-L105 VanDerWaalsContact C-N 3.31Å; F103-L105 PolarHBondContact O-N 3.3Å; L105-L107 VanDerWaalsContact C-N 3.29Å; L105-L107 PolarHBondContact O-N 3.4Å; L105-S108 WeakPolarHBondContact O-CA 3.15Å; L105-S108 WeakPolarHBondContact O-CB 3.37Å; L105-S108 PolarHBondContact O-N 3.4Å; L105-S109 PolarHBondContact O-N 3.36Å
106E90.8Very high86.5Confident56 Ų5651.5 Ų51.526%0.26230%0.301SS..Hα-helixtrans-59.2-41.1173.9-66.7175.1178.900111.2V91 N92 A102 S108 S109 L110V91-E106 HydrophobicContact CG2-CB 4.32Å; N92-E106 PolarHBondContact N-OE2 3.15Å; A102-E106 PolarHBondContact O-N 3.48Å; E106-S108 VanDerWaalsContact C-N 3.26Å; E106-S108 PolarHBondContact O-N 3.26Å; E106-S109 WeakPolarHBondContact CA-OG 3.48Å; E106-S109 PolarHBondContact O-N 3.49Å; E106-S109 PolarHBondContact O-OG 3.17Å; E106-L110 WeakPolarHBondContact O-CB 3.47Å; E106-L110 PolarHBondContact O-N 3.42Å
107L91.4Very high86.9Confident4 Ų450.3 Ų50.32%0.02130%0.298CS..Hα-helixtrans-63.7-36174.9-174.164.2000111.7V74 V91 F103 M104 L105 L111 L130 L139V74-L107 HydrophobicContact CG1-CD1 3.84Å; V91-L107 HydrophobicContact CG2-CB 4.25Å; V91-L107 HydrophobicContact CG2-CD1 4.04Å; F103-L107 HydrophobicContact CE1-CD2 4.25Å; F103-L107 VanDerWaalsContact O-CB 3.26Å; F103-L107 WeakPolarHBondContact O-CB 3.43Å; F103-L107 PolarHBondContact O-N 3.45Å; M104-L107 HydrophobicContact CE-CD2 4.47Å; M104-L107 HydrophobicContact SD-CD2 4.34Å; L105-L107 VanDerWaalsContact C-N 3.29Å; L105-L107 PolarHBondContact O-N 3.4Å; L107-L111 HydrophobicContact CD1-CD1 4.35Å; L107-L111 HydrophobicContact CD1-CG 4.34Å; L107-L111 HydrophobicContact CG-CD1 4.01Å; L107-L111 HydrophobicContact CG-CG 4.4Å; L107-L111 WeakPolarHBondContact O-CB 3.49Å; L107-L111 WeakPolarHBondContact O-CG 2.8Å; L107-L111 PolarHBondContact O-N 3.46Å; L107-L130 HydrophobicContact CD2-CD1 3.93Å; L107-L139 HydrophobicContact CD1-CD1 4.01Å; L107-L139 HydrophobicContact CD1-CD2 4.37Å; L107-L139 HydrophobicContact CD2-CD1 4.3Å; L107-L139 HydrophobicContact CD2-CD2 3.77Å; L107-L139 HydrophobicContact CG-CD1 4.49Å
108S90Very high87.4Confident12 Ų1249.5 Ų49.58%0.08429%0.29CS..Hα-helixtrans-71.4-35.8178.6-60.90000112.6M104 L105 E106 K112 R129M104-S108 WeakPolarHBondContact O-CB 3.13Å; M104-S108 PolarHBondContact O-N 3.43Å; M104-S108 VanDerWaalsContact O-N 3.09Å; M104-S108 PolarHBondContact O-OG 3.25Å; L105-S108 WeakPolarHBondContact O-CA 3.15Å; L105-S108 WeakPolarHBondContact O-CB 3.37Å; L105-S108 PolarHBondContact O-N 3.4Å; E106-S108 VanDerWaalsContact C-N 3.26Å; E106-S108 PolarHBondContact O-N 3.26Å; S108-K112 WeakPolarHBondContact O-CB 3.4Å; S108-K112 VanDerWaalsContact O-CG 3.24Å; S108-K112 WeakPolarHBondContact O-CG 3.23Å; S108-K112 PolarHBondContact O-N 3.29Å; S108-R129 PolarHBondContact OG-NH1 2.97Å
109S89.5Confident88Confident34 Ų3449.9 Ų49.924%0.23828%0.28CS..Hα-helixtrans-66-50.1174.552.40000110.1E89 L105 E106 L111 K112 E113E89-S109 WeakPolarHBondContact OE2-CB 3.14Å; E89-S109 PolarHBondContact OE2-OG 2.87Å; L105-S109 PolarHBondContact O-N 3.36Å; E106-S109 WeakPolarHBondContact CA-OG 3.48Å; E106-S109 PolarHBondContact O-N 3.49Å; E106-S109 PolarHBondContact O-OG 3.17Å; S109-L111 PolarHBondContact O-N 2.9Å; S109-K112 PolarHBondContact O-N 2.95Å; S109-K112 VanDerWaalsContact O-N 3.15Å; S109-E113 PolarHBondContact O-N 3.13Å
110L90.7Very high88.2Confident0 Ų049.4 Ų49.40%028%0.278CS..Hα-helixtrans-55.4-48.7176.8-179.770.5000112.5L87 E89 V91 E106 K112 E113 M114 L143L87-L110 HydrophobicContact CD1-CD1 4.03Å; E89-L110 HydrophobicContact CB-CB 4.45Å; E89-L110 HydrophobicContact CB-CD1 4.46Å; V91-L110 HydrophobicContact CG2-CB 4.26Å; V91-L110 HydrophobicContact CG2-CD2 3.79Å; E106-L110 WeakPolarHBondContact O-CB 3.47Å; E106-L110 PolarHBondContact O-N 3.42Å; L110-K112 VanDerWaalsContact C-N 3.29Å; L110-K112 PolarHBondContact O-N 3.34Å; L110-E113 PolarHBondContact O-N 3.36Å; L110-M114 HydrophobicContact CD1-CG 4.33Å; L110-M114 WeakPolarHBondContact O-CB 3.43Å; L110-M114 WeakPolarHBondContact O-CG 3.34Å; L110-M114 PolarHBondContact O-N 2.96Å; L110-L143 HydrophobicContact CD2-CD2 4.23Å
111L91.4Very high88.3Confident3 Ų348.4 Ų48.42%0.01627%0.272CS..Hα-helixtrans-67.6-29-178.2-70.9175.8000113.2L107 S109 S115 C116 L121 I122 L139 F142L107-L111 HydrophobicContact CD1-CD1 4.35Å; L107-L111 HydrophobicContact CD1-CG 4.34Å; L107-L111 HydrophobicContact CG-CD1 4.01Å; L107-L111 HydrophobicContact CG-CG 4.4Å; L107-L111 WeakPolarHBondContact O-CB 3.49Å; L107-L111 WeakPolarHBondContact O-CG 2.8Å; L107-L111 PolarHBondContact O-N 3.46Å; S109-L111 PolarHBondContact O-N 2.9Å; L111-S115 PolarHBondContact O-N 3.4Å; L111-C116 HydrophobicContact CB-CB 4.12Å; L111-C116 HydrophobicContact CD2-CB 4.03Å; L111-C116 WeakPolarHBondContact O-CB 3.25Å; L111-C116 PolarHBondContact O-N 3.13Å; L111-L121 HydrophobicContact CD1-CB 4.04Å; L111-I122 HydrophobicContact CB-CG1 4.31Å; L111-L139 HydrophobicContact CD1-CD1 3.9Å; L111-L139 HydrophobicContact CD2-CD1 3.9Å; L111-L139 HydrophobicContact CG-CD1 4.37Å; L111-F142 HydrophobicContact CD2-CD1 3.71Å; L111-F142 HydrophobicContact CD2-CE1 3.74Å
112K89.1Confident88.2Confident134 Ų13447 Ų4758%0.58326%0.258SS*.Hα-helixtrans-73.5-43.5174.3-78176.1-179.2-177.80111.3S108 S109 L110 M114 S115 I122S108-K112 WeakPolarHBondContact O-CB 3.4Å; S108-K112 VanDerWaalsContact O-CG 3.24Å; S108-K112 WeakPolarHBondContact O-CG 3.23Å; S108-K112 PolarHBondContact O-N 3.29Å; S109-K112 PolarHBondContact O-N 2.95Å; S109-K112 VanDerWaalsContact O-N 3.15Å; L110-K112 VanDerWaalsContact C-N 3.29Å; L110-K112 PolarHBondContact O-N 3.34Å; K112-M114 VanDerWaalsContact C-N 3.34Å; K112-S115 PolarHBondContact O-N 2.99Å; K112-S115 VanDerWaalsContact O-N 3.13Å; K112-I122 HydrophobicContact CG-CG2 3.84Å
113E89.1Confident88.1Confident79 Ų7950.2 Ų50.237%0.36926%0.264SS..Hα-helixtrans-60-45.7175.7-170178.1179.100110.8L87 E89 S109 L110 S115L87-E113 VanDerWaalsContact CD2-CD 3.45Å; L87-E113 HydrophobicContact CD2-CG 3.81Å; L87-E113 WeakPolarHBondContact CD2-OE1 3.35Å; E89-E113 WeakPolarHBondContact CB-OE2 3.43Å; E89-E113 VanDerWaalsContact CG-OE2 3.22Å; E89-E113 WeakPolarHBondContact CG-OE2 3.38Å; S109-E113 PolarHBondContact O-N 3.13Å; L110-E113 PolarHBondContact O-N 3.36Å; E113-S115 PolarHBondContact O-N 3.49Å; E113-S115 VanDerWaalsContact O-N 3.12Å
114M85.8Confident87.8Confident32 Ų3252.5 Ų52.516%0.15829%0.288CS..THydrogen-bonded Turntrans-73.31.9176.9-68.9-63.4-72.300114.7L87 L110 K112 C116 F142 E146L87-M114 HydrophobicContact CD1-CG 4.15Å; L87-M114 HydrophobicContact CD1-SD 3.51Å; L87-M114 VanDerWaalsContact CD1-SD 3.51Å; L87-M114 HydrophobicContact CD2-CG 4.34Å; L87-M114 HydrophobicContact CD2-SD 3.66Å; L87-M114 HydrophobicContact CG-SD 4.13Å; L110-M114 HydrophobicContact CD1-CG 4.33Å; L110-M114 WeakPolarHBondContact O-CB 3.43Å; L110-M114 WeakPolarHBondContact O-CG 3.34Å; L110-M114 PolarHBondContact O-N 2.96Å; K112-M114 VanDerWaalsContact C-N 3.34Å; M114-C116 VanDerWaalsContact C-N 3.34Å; M114-C116 PolarHBondContact O-N 2.92Å; M114-F142 HydrophobicContact CB-CE1 4.12Å; M114-F142 HydrophobicContact CB-CZ 4.09Å; M114-E146 HydrophobicContact CE-CB 3.61Å; M114-E146 HydrophobicContact CE-CG 3.61Å
115S85.4Confident87.4Confident99 Ų9956 Ų5669%0.69231%0.312SS*.THydrogen-bonded Turntrans52.247.5180-59.70000113.2L111 K112 E113L111-S115 PolarHBondContact O-N 3.4Å; K112-S115 PolarHBondContact O-N 2.99Å; K112-S115 VanDerWaalsContact O-N 3.13Å; E113-S115 PolarHBondContact O-N 3.49Å; E113-S115 VanDerWaalsContact O-N 3.12Å
116C87.3Confident87.1Confident6 Ų652.5 Ų52.54%0.04130%0.297CS..  trans-58131.6-176.4-176.60000111.6L111 M114 Y118 I122 F142L111-C116 HydrophobicContact CB-CB 4.12Å; L111-C116 HydrophobicContact CD2-CB 4.03Å; L111-C116 WeakPolarHBondContact O-CB 3.25Å; L111-C116 PolarHBondContact O-N 3.13Å; M114-C116 VanDerWaalsContact C-N 3.34Å; M114-C116 PolarHBondContact O-N 2.92Å; C116-Y118 VanDerWaalsContact C-N 3.26Å; C116-Y118 PolarHBondContact O-N 3.44Å; C116-I122 HydrophobicContact CB-CD1 3.81Å; C116-I122 HydrophobicContact CB-CG1 4.38Å; C116-I122 WeakPolarHBondContact O-CD1 3.38Å; C116-F142 HydrophobicContact CB-CD1 4.28Å; C116-F142 HydrophobicContact CB-CE1 3.72Å; C116-F142 HydrophobicContact CB-CE2 4.26Å; C116-F142 HydrophobicContact CB-CZ 3.71Å
117P86.8Confident86.5Confident74 Ų7454.8 Ų54.848%0.48132%0.319SS..SBendtrans-78.4-7.3-176.631.4-36.5000113.8N119P117-N119 PolarHBondContact O-N 3.36Å
118Y87Confident86.1Confident54 Ų5457 Ų5721%0.21234%0.335CS..  trans-9193.5-176.2-60-62.8000111C116 N120 L121 N138 F142C116-Y118 VanDerWaalsContact C-N 3.26Å; C116-Y118 PolarHBondContact O-N 3.44Å; Y118-N120 PolarHBondContact O-N 2.93Å; Y118-N120 VanDerWaalsContact O-N 3.09Å; Y118-L121 HydrophobicContact CD2-CD1 4.06Å; Y118-L121 HydrophobicContact CG-CD1 4.28Å; Y118-L121 WeakPolarHBondContact O-CB 3.42Å; Y118-L121 PolarHBondContact O-N 3.43Å; Y118-N138 HydrophobicContact CD2-CB 4.22Å; Y118-N138 HydrophobicContact CE1-CB 4.45Å; Y118-N138 HydrophobicContact CE2-CB 4.18Å; Y118-N138 HydrophobicContact CG-CB 4.4Å; Y118-F142 HydrophobicContact CD2-CB 4.35Å; Y118-F142 HydrophobicContact CE2-CB 4.01Å; Y118-F142 HydrophobicContact CE2-CD2 4.35Å; Y118-F142 HydrophobicContact CE2-CG 4.48Å
119N84.1Confident86.1Confident97 Ų9758.1 Ų58.152%0.51934%0.337SS..Hα-helixtrans-54.6-32.8179.5-63-11.8000112.8P117 L121 I122 E123P117-N119 PolarHBondContact O-N 3.36Å; N119-L121 PolarHBondContact O-N 2.93Å; N119-L121 VanDerWaalsContact O-N 3.17Å; N119-I122 PolarHBondContact O-N 3.24Å; N119-E123 HydrophobicContact CB-CG 4.47Å; N119-E123 WeakPolarHBondContact O-CB 3.39Å; N119-E123 PolarHBondContact O-N 3.48Å
120N85.3Confident86.1Confident79 Ų7956.8 Ų56.842%0.42233%0.327SS..Hα-helixtrans-67.4-12.1177.267.6-73.5000114.4Y118Y118-N120 PolarHBondContact O-N 2.93Å; Y118-N120 VanDerWaalsContact O-N 3.09Å
121L87.3Confident85.9Confident5 Ų560.7 Ų60.73%0.02636%0.355CS..Hα-helixtrans-98.5-18.8174.8-62.4-178.7000113L111 Y118 N119 R129 L130 A135 N138 L139L111-L121 HydrophobicContact CD1-CB 4.04Å; Y118-L121 HydrophobicContact CD2-CD1 4.06Å; Y118-L121 HydrophobicContact CG-CD1 4.28Å; Y118-L121 WeakPolarHBondContact O-CB 3.42Å; Y118-L121 PolarHBondContact O-N 3.43Å; N119-L121 PolarHBondContact O-N 2.93Å; N119-L121 VanDerWaalsContact O-N 3.17Å; L121-R129 WeakPolarHBondContact O-CD 3.33Å; L121-R129 PolarHBondContact O-NH1 3.35Å; L121-L130 HydrophobicContact CD2-CD2 3.82Å; L121-A135 HydrophobicContact CD2-CB 3.91Å; L121-N138 HydrophobicContact CD1-CB 4.39Å; L121-L139 HydrophobicContact CD1-CB 4.06Å; L121-L139 HydrophobicContact CD1-CD1 4.34Å
122I85.4Confident85.9Confident35 Ų3564 Ų6418%0.17938%0.375CS..Hα-helixtrans-106.4-36.5-177.7-61.6160000112.1L111 K112 C116 N119 R129L111-I122 HydrophobicContact CB-CG1 4.31Å; K112-I122 HydrophobicContact CG-CG2 3.84Å; C116-I122 HydrophobicContact CB-CD1 3.81Å; C116-I122 HydrophobicContact CB-CG1 4.38Å; C116-I122 WeakPolarHBondContact O-CD1 3.38Å; N119-I122 PolarHBondContact O-N 3.24Å; I122-R129 PolarHBondContact O-NH1 3.44Å; I122-R129 PolarHBondContact O-NH2 2.79Å; I122-R129 VanDerWaalsContact O-NH2 3.12Å
123E83.6Confident85.9Confident124 Ų12460.1 Ų60.158%0.57936%0.358SS*.SBendtrans-95.9156.5-173.2-60.3179.9174.300112.2N119 R129N119-E123 HydrophobicContact CB-CG 4.47Å; N119-E123 WeakPolarHBondContact O-CB 3.39Å; N119-E123 PolarHBondContact O-N 3.48Å; E123-R129 WeakPolarHBondContact O-CD 3.4Å; E123-R129 PolarHBondContact O-NE 3.32Å
124G84.3Confident86Confident50 Ų5060.1 Ų60.152%0.51536%0.364SS..SBendtrans80.5-173.8177.400000115.1S126 R129G124-S126 PolarHBondContact O-N 2.88Å; G124-R129 VanDerWaalsContact O-CZ 3.29Å; G124-R129 PolarHBondContact O-NE 2.95Å; G124-R129 PolarHBondContact O-NH2 3.24Å
125P82.6Confident86.3Confident85 Ų8558.6 Ų58.655%0.55236%0.356SS*.  trans-65.4128.4-177.2-19.231.1000111.9S127 S128 R129P125-S127 PolarHBondContact O-N 3.22Å; P125-S127 VanDerWaalsContact O-N 3.16Å; P125-S128 PolarHBondContact O-N 2.88Å; P125-S128 PolarHBondContact O-OG 3.23Å; P125-R129 WeakPolarHBondContact O-CG 3.44Å
126S81.7Confident86.7Confident40 Ų4055 Ų5528%0.2833%0.327SS..Hα-helixtrans-50.3-41.7-178.747.80000112.8M104 G124 S128 R129M104-S126 WeakPolarHBondContact CE-O 3.48Å; G124-S126 PolarHBondContact O-N 2.88Å; S126-S128 PolarHBondContact O-N 3.45Å; S126-R129 PolarHBondContact O-N 3.45Å
127S78Confident87Confident105 Ų10555.9 Ų55.973%0.73433%0.33SS*.Hα-helixtrans-62.7-24.4178.856.40000114.9P125P125-S127 PolarHBondContact O-N 3.22Å; P125-S127 VanDerWaalsContact O-N 3.16Å
128S84.8Confident87.3Confident51 Ų5153.7 Ų53.736%0.35731%0.314SS..Hα-helixtrans-96.1-17.4-17469.70000114.3P125 S126 L130 S131P125-S128 PolarHBondContact O-N 2.88Å; P125-S128 PolarHBondContact O-OG 3.23Å; S126-S128 PolarHBondContact O-N 3.45Å; S128-L130 PolarHBondContact O-N 3.2Å; S128-S131 VanDerWaalsContact O-CB 3.25Å; S128-S131 WeakPolarHBondContact O-CB 3.25Å; S128-S131 PolarHBondContact O-N 2.88Å; S128-S131 PolarHBondContact O-OG 3.22Å
129R88.5Confident87.6Confident34 Ų3451.1 Ų51.113%0.12830%0.304CS..Hα-helixtrans-67.2-34.4-170.1-60.9-172.9-162.1153.13.1113.7M104 S108 L121 I122 E123 G124 P125 S126 A135M104-R129 HydrophobicContact CE-CB 4.33Å; S108-R129 PolarHBondContact OG-NH1 2.97Å; L121-R129 WeakPolarHBondContact O-CD 3.33Å; L121-R129 PolarHBondContact O-NH1 3.35Å; I122-R129 PolarHBondContact O-NH1 3.44Å; I122-R129 PolarHBondContact O-NH2 2.79Å; I122-R129 VanDerWaalsContact O-NH2 3.12Å; E123-R129 WeakPolarHBondContact O-CD 3.4Å; E123-R129 PolarHBondContact O-NE 3.32Å; G124-R129 VanDerWaalsContact O-CZ 3.29Å; G124-R129 PolarHBondContact O-NE 2.95Å; G124-R129 PolarHBondContact O-NH2 3.24Å; P125-R129 WeakPolarHBondContact O-CG 3.44Å; S126-R129 PolarHBondContact O-N 3.45Å; R129-A135 WeakPolarHBondContact O-CB 3.36Å
130L90.1Very high88.1Confident6 Ų646.5 Ų46.53%0.03128%0.28CS..THydrogen-bonded Turntrans-10117.7177.8-59.7-178.6000113.4P65 F70 F103 M104 L107 L121 S128 T132 R136 L139P65-L130 HydrophobicContact CB-CD1 4.4Å; P65-L130 HydrophobicContact CG-CB 4.13Å; F70-L130 HydrophobicContact CE1-CD1 3.99Å; F70-L130 HydrophobicContact CZ-CD1 4.26Å; F103-L130 HydrophobicContact CE1-CD1 4.47Å; M104-L130 HydrophobicContact CE-CD1 3.77Å; M104-L130 HydrophobicContact CE-CG 3.76Å; M104-L130 HydrophobicContact SD-CD1 3.61Å; M104-L130 HydrophobicContact SD-CG 4.24Å; L107-L130 HydrophobicContact CD2-CD1 3.93Å; L121-L130 HydrophobicContact CD2-CD2 3.82Å; S128-L130 PolarHBondContact O-N 3.2Å; L130-T132 VanDerWaalsContact C-N 3.33Å; L130-T132 PolarHBondContact O-N 2.91Å; L130-R136 HydrophobicContact CB-CG 4.14Å; L130-R136 HydrophobicContact CD2-CG 4.46Å; L130-R136 WeakPolarHBondContact O-CD 3.44Å; L130-R136 WeakPolarHBondContact O-CG 3.18Å; L130-L139 HydrophobicContact CD1-CD2 4.17Å; L130-L139 HydrophobicContact CD2-CB 4.34Å; L130-L139 HydrophobicContact CD2-CD2 3.9Å
131S87.2Confident88.4Confident83 Ų8345 Ų4558%0.5827%0.271SS*.SBendtrans-69.4-28.9-179.461.20000113.4S128S128-S131 VanDerWaalsContact O-CB 3.25Å; S128-S131 WeakPolarHBondContact O-CB 3.25Å; S128-S131 PolarHBondContact O-N 2.88Å; S128-S131 PolarHBondContact O-OG 3.22Å
132T90.3Very high88.8Confident72 Ų7245 Ų4544%0.44227%0.271SS..SBendtrans-97.1145-178.267.10000111.4L130 V134 A135 R136L130-T132 VanDerWaalsContact C-N 3.33Å; L130-T132 PolarHBondContact O-N 2.91Å; T132-V134 PolarHBondContact O-N 2.73Å; T132-A135 PolarHBondContact O-N 3.16Å; T132-A135 VanDerWaalsContact OG1-CB 3.23Å; T132-A135 WeakPolarHBondContact OG1-CB 3.34Å; T132-A135 PolarHBondContact OG1-N 3.29Å; T132-A135 VanDerWaalsContact OG1-N 3.11Å; T132-R136 PolarHBondContact O-N 3.41Å; T132-R136 VanDerWaalsContact O-N 3.16Å; T132-R136 PolarHBondContact O-NE 2.91Å
133K90.1Very high89.1Confident52 Ų5243.4 Ų43.423%0.22626%0.263CS..Hα-helixtrans-56.1-37.2171.8-171178.1-171.8152.50111.9E58 D62 R136 Y137E58-K133 IonicContact OE1-NZ 3.79Å; E58-K133 PolarHBondContact OE1-NZ 3.31Å; D62-K133 WeakPolarHBondContact OD1-CD 3.44Å; D62-K133 WeakPolarHBondContact OD1-CE 3.22Å; D62-K133 IonicContact OD1-NZ 3.83Å; D62-K133 PolarHBondContact OD1-NZ 2.71Å; D62-K133 IonicContact OD2-NZ 3.09Å; D62-K133 PolarHBondContact OD2-NZ 2.77Å; K133-R136 PolarHBondContact O-N 3.43Å; K133-Y137 WeakPolarHBondContact O-CB 3.35Å; K133-Y137 PolarHBondContact O-N 3.23Å
134V91.2Very high89.5Confident79 Ų7937.5 Ų37.548%0.47924%0.235SC..Hα-helixtrans-64.8-42.9178.1178.50000111.7P33 T132 Y137 N138P33-V134 HydrophobicContact CG-CG2 4.49Å; T132-V134 PolarHBondContact O-N 2.73Å; V134-Y137 PolarHBondContact O-N 3.34Å; V134-N138 WeakPolarHBondContact O-CB 3.42Å; V134-N138 VanDerWaalsContact O-CG 3.25Å; V134-N138 PolarHBondContact O-N 3.17Å
135A91.8Very high89.9Confident0 Ų037.4 Ų37.40%023%0.227CC..Hα-helixtrans-64.6-41.917700000112.1L121 R129 T132 N138 L139L121-A135 HydrophobicContact CD2-CB 3.91Å; R129-A135 WeakPolarHBondContact O-CB 3.36Å; T132-A135 PolarHBondContact O-N 3.16Å; T132-A135 VanDerWaalsContact OG1-CB 3.23Å; T132-A135 WeakPolarHBondContact OG1-CB 3.34Å; T132-A135 PolarHBondContact OG1-N 3.29Å; T132-A135 VanDerWaalsContact OG1-N 3.11Å; A135-N138 PolarHBondContact O-N 2.95Å; A135-L139 PolarHBondContact O-N 3.44Å
136R93.4Very high90.3Very high24 Ų2434 Ų349%0.09120%0.203CC..Hα-helixtrans-62-43.8175.6-68.4178.8-761764.3112L61 D62 G64 F70 L130 T132 K133 L139 V140L61-R136 HydrophobicContact CD2-CB 4.08Å; L61-R136 WeakPolarHBondContact O-CD 3.42Å; L61-R136 PolarHBondContact O-NE 3.16Å; L61-R136 PolarHBondContact O-NH1 3.44Å; L61-R136 PolarHBondContact O-NH2 3.38Å; D62-R136 PolarHBondContact O-NH1 3.37Å; D62-R136 PolarHBondContact O-NH2 3.35Å; G64-R136 VanDerWaalsContact CA-CD 3.4Å; F70-R136 HydrophobicContact CE2-CB 3.93Å; F70-R136 HydrophobicContact CE2-CG 4.09Å; F70-R136 HydrophobicContact CZ-CB 4.2Å; F70-R136 HydrophobicContact CZ-CG 4Å; L130-R136 HydrophobicContact CB-CG 4.14Å; L130-R136 HydrophobicContact CD2-CG 4.46Å; L130-R136 WeakPolarHBondContact O-CD 3.44Å; L130-R136 WeakPolarHBondContact O-CG 3.18Å; T132-R136 PolarHBondContact O-N 3.41Å; T132-R136 VanDerWaalsContact O-N 3.16Å; T132-R136 PolarHBondContact O-NE 2.91Å; K133-R136 PolarHBondContact O-N 3.43Å; R136-L139 PolarHBondContact O-N 3.16Å; R136-V140 PolarHBondContact O-N 3.42Å
137Y94Very high90.6Very high25 Ų2532 Ų3210%0.09819%0.19CC..Hα-helixtrans-58.8-51.1172.7176.1-88000111.8P33 D34 M35 L38 L61 K133 V134 L139 V140 N141P33-Y137 HydrophobicContact CB-CD1 3.81Å; P33-Y137 HydrophobicContact CB-CD2 3.36Å; P33-Y137 HydrophobicContact CB-CE1 3.94Å; P33-Y137 HydrophobicContact CB-CE2 3.49Å; P33-Y137 VanDerWaalsContact CB-CE2 3.49Å; P33-Y137 HydrophobicContact CB-CG 3.53Å; P33-Y137 HydrophobicContact CG-CD2 4.42Å; P33-Y137 HydrophobicContact CG-CG 4.28Å; D34-Y137 PolarHBondContact N-OH 3.4Å; D34-Y137 WeakPolarHBondContact O-CE2 3.34Å; D34-Y137 PolarHBondContact O-OH 2.9Å; M35-Y137 HydrophobicContact CE-CD2 3.98Å; M35-Y137 HydrophobicContact SD-CD2 3.89Å; M35-Y137 HydrophobicContact SD-CE2 4.11Å; L38-Y137 HydrophobicContact CB-CD2 4.42Å; L38-Y137 HydrophobicContact CB-CE2 3.68Å; L38-Y137 HydrophobicContact CD2-CD2 3.53Å; L38-Y137 HydrophobicContact CD2-CE2 3.68Å; L38-Y137 HydrophobicContact CD2-CG 4.41Å; L38-Y137 HydrophobicContact CG-CD2 4.47Å; L38-Y137 HydrophobicContact CG-CE2 4.16Å; L61-Y137 HydrophobicContact CD1-CD2 4.3Å; K133-Y137 WeakPolarHBondContact O-CB 3.35Å; K133-Y137 PolarHBondContact O-N 3.23Å; V134-Y137 PolarHBondContact O-N 3.34Å; Y137-L139 VanDerWaalsContact C-N 3.25Å; Y137-L139 PolarHBondContact O-N 3.17Å; Y137-V140 PolarHBondContact O-N 3.07Å; Y137-N141 HydrophobicContact CE1-CB 4.29Å; Y137-N141 VanDerWaalsContact O-CB 3.23Å; Y137-N141 WeakPolarHBondContact O-CB 3.39Å; Y137-N141 PolarHBondContact O-N 3.13Å
138N92.7Very high91.1Very high28 Ų2830.1 Ų30.115%0.1517%0.169CC..Hα-helixtrans-61.4-35.7-178.8-73-10.4000112.1Y118 L121 V134 A135 F142Y118-N138 HydrophobicContact CD2-CB 4.22Å; Y118-N138 HydrophobicContact CE1-CB 4.45Å; Y118-N138 HydrophobicContact CE2-CB 4.18Å; Y118-N138 HydrophobicContact CG-CB 4.4Å; L121-N138 HydrophobicContact CD1-CB 4.39Å; V134-N138 WeakPolarHBondContact O-CB 3.42Å; V134-N138 VanDerWaalsContact O-CG 3.25Å; V134-N138 PolarHBondContact O-N 3.17Å; A135-N138 PolarHBondContact O-N 2.95Å; N138-F142 WeakPolarHBondContact O-CB 3.31Å; N138-F142 PolarHBondContact O-N 3.46Å
139L94.1Very high91.2Very high0 Ų029 Ų290%016%0.163CC..Hα-helixtrans-61.8-56175.3176.668.2000111.3F70 V74 L107 L111 L121 L130 A135 R136 Y137 N141 F142 L143F70-L139 HydrophobicContact CZ-CD2 4.11Å; V74-L139 HydrophobicContact CG1-CD2 4.42Å; V74-L139 HydrophobicContact CG2-CD2 3.92Å; L107-L139 HydrophobicContact CD1-CD1 4.01Å; L107-L139 HydrophobicContact CD1-CD2 4.37Å; L107-L139 HydrophobicContact CD2-CD1 4.3Å; L107-L139 HydrophobicContact CD2-CD2 3.77Å; L107-L139 HydrophobicContact CG-CD1 4.49Å; L111-L139 HydrophobicContact CD1-CD1 3.9Å; L111-L139 HydrophobicContact CD2-CD1 3.9Å; L111-L139 HydrophobicContact CG-CD1 4.37Å; L121-L139 HydrophobicContact CD1-CB 4.06Å; L121-L139 HydrophobicContact CD1-CD1 4.34Å; L130-L139 HydrophobicContact CD1-CD2 4.17Å; L130-L139 HydrophobicContact CD2-CB 4.34Å; L130-L139 HydrophobicContact CD2-CD2 3.9Å; A135-L139 PolarHBondContact O-N 3.44Å; R136-L139 PolarHBondContact O-N 3.16Å; Y137-L139 VanDerWaalsContact C-N 3.25Å; Y137-L139 PolarHBondContact O-N 3.17Å; L139-N141 VanDerWaalsContact C-N 3.31Å; L139-N141 PolarHBondContact O-N 2.88Å; L139-F142 WeakPolarHBondContact O-CB 3.34Å; L139-F142 PolarHBondContact O-N 2.76Å; L139-L143 HydrophobicContact CD1-CD1 4.19Å; L139-L143 HydrophobicContact CD1-CG 4.36Å; L139-L143 HydrophobicContact CG-CD1 4.22Å; L139-L143 WeakPolarHBondContact O-CG 3.41Å; L139-L143 PolarHBondContact O-N 3.19Å
140V93.4Very high91.1Very high0 Ų027.9 Ų27.90%016%0.16CC..Hα-helixtrans-62-43.6-178.61780000110.1L38 L61 F70 L73 L77 R136 Y137 F142 L143 C144L38-V140 HydrophobicContact CD1-CB 4.45Å; L38-V140 HydrophobicContact CD1-CG1 4.07Å; L38-V140 HydrophobicContact CD2-CB 4.39Å; L38-V140 HydrophobicContact CD2-CG1 4.23Å; L38-V140 HydrophobicContact CG-CG1 4.41Å; L61-V140 HydrophobicContact CD2-CG2 3.87Å; F70-V140 HydrophobicContact CE2-CG2 4.32Å; L73-V140 HydrophobicContact CD2-CG1 4.32Å; L73-V140 HydrophobicContact CD2-CG2 4.23Å; L77-V140 HydrophobicContact CD1-CG1 4.09Å; R136-V140 PolarHBondContact O-N 3.42Å; Y137-V140 PolarHBondContact O-N 3.07Å; V140-F142 VanDerWaalsContact C-N 3.34Å; V140-F142 PolarHBondContact O-N 2.47Å; V140-L143 PolarHBondContact O-N 3.29Å; V140-C144 WeakPolarHBondContact O-CB 3.08Å; V140-C144 PolarHBondContact O-N 3.08Å; V140-C144 PolarHBondContact O-SG 3.03Å
141N93.2Very high90.8Very high46 Ų4630.3 Ų30.325%0.24617%0.172CC..Hα-helixtrans-59.7-43.7177.4-169.147.8000112.1L38 Y137 L139 S145L38-N141 VanDerWaalsContact CD1-CA 3.48Å; L38-N141 HydrophobicContact CD1-CB 3.69Å; Y137-N141 HydrophobicContact CE1-CB 4.29Å; Y137-N141 VanDerWaalsContact O-CB 3.23Å; Y137-N141 WeakPolarHBondContact O-CB 3.39Å; Y137-N141 PolarHBondContact O-N 3.13Å; L139-N141 VanDerWaalsContact C-N 3.31Å; L139-N141 PolarHBondContact O-N 2.88Å; N141-S145 WeakPolarHBondContact O-CB 3.48Å; N141-S145 PolarHBondContact O-N 3.13Å; N141-S145 PolarHBondContact O-OG 3.49Å
142F93.9Very high90.7Very high7 Ų732.1 Ų32.13%0.03117%0.173CC..Hα-helixtrans-60.2-53.6175.9178.7-109.8000111.2L111 M114 C116 Y118 N138 L139 V140 C144 S145 E146L111-F142 HydrophobicContact CD2-CD1 3.71Å; L111-F142 HydrophobicContact CD2-CE1 3.74Å; M114-F142 HydrophobicContact CB-CE1 4.12Å; M114-F142 HydrophobicContact CB-CZ 4.09Å; C116-F142 HydrophobicContact CB-CD1 4.28Å; C116-F142 HydrophobicContact CB-CE1 3.72Å; C116-F142 HydrophobicContact CB-CE2 4.26Å; C116-F142 HydrophobicContact CB-CZ 3.71Å; Y118-F142 HydrophobicContact CD2-CB 4.35Å; Y118-F142 HydrophobicContact CE2-CB 4.01Å; Y118-F142 HydrophobicContact CE2-CD2 4.35Å; Y118-F142 HydrophobicContact CE2-CG 4.48Å; N138-F142 WeakPolarHBondContact O-CB 3.31Å; N138-F142 PolarHBondContact O-N 3.46Å; L139-F142 WeakPolarHBondContact O-CB 3.34Å; L139-F142 PolarHBondContact O-N 2.76Å; V140-F142 VanDerWaalsContact C-N 3.34Å; V140-F142 PolarHBondContact O-N 2.47Å; F142-C144 VanDerWaalsContact C-N 3.31Å; F142-C144 PolarHBondContact O-N 2.9Å; F142-S145 WeakPolarHBondContact CA-OG 3.22Å; F142-S145 PolarHBondContact O-N 3.17Å; F142-S145 VanDerWaalsContact O-N 3.09Å; F142-S145 PolarHBondContact O-OG 3.37Å; F142-E146 HydrophobicContact CD1-CG 4.33Å; F142-E146 HydrophobicContact CD2-CG 4.12Å; F142-E146 HydrophobicContact CE1-CG 3.91Å; F142-E146 HydrophobicContact CE2-CG 3.67Å; F142-E146 VanDerWaalsContact CE2-OE1 3.28Å; F142-E146 WeakPolarHBondContact CE2-OE1 3.36Å; F142-E146 HydrophobicContact CG-CG 4.43Å; F142-E146 HydrophobicContact CZ-CG 3.55Å; F142-E146 WeakPolarHBondContact O-CG 3.35Å; F142-E146 PolarHBondContact O-N 3.49Å
143L92.7Very high90.3Very high1 Ų133.6 Ų33.61%0.00518%0.178CC..Hα-helixtrans-60.6-40.6-178.8-65.1176.3000112.1V74 L77 L81 L110 L139 V140 E146 L147V74-L143 HydrophobicContact CG1-CD1 4.06Å; L77-L143 HydrophobicContact CB-CB 4.18Å; L77-L143 HydrophobicContact CB-CD1 4.17Å; L77-L143 HydrophobicContact CD1-CB 4.16Å; L77-L143 HydrophobicContact CD1-CD1 4.35Å; L81-L143 HydrophobicContact CD1-CB 4.35Å; L81-L143 HydrophobicContact CD1-CD2 3.76Å; L110-L143 HydrophobicContact CD2-CD2 4.23Å; L139-L143 HydrophobicContact CD1-CD1 4.19Å; L139-L143 HydrophobicContact CD1-CG 4.36Å; L139-L143 HydrophobicContact CG-CD1 4.22Å; L139-L143 WeakPolarHBondContact O-CG 3.41Å; L139-L143 PolarHBondContact O-N 3.19Å; V140-L143 PolarHBondContact O-N 3.29Å; L143-E146 PolarHBondContact O-N 3.48Å; L143-L147 VanDerWaalsContact O-CB 3.28Å; L143-L147 WeakPolarHBondContact O-CB 3.49Å; L143-L147 PolarHBondContact O-N 2.85Å
144C92.5Very high89.8Confident0 Ų032.2 Ų32.20%018%0.175CC..Hα-helixtrans-60.9-48.3172.7-69.90000111.4A41 V140 F142 E146 L147 E148A41-C144 HydrophobicContact CB-CB 4.12Å; V140-C144 WeakPolarHBondContact O-CB 3.08Å; V140-C144 PolarHBondContact O-N 3.08Å; V140-C144 PolarHBondContact O-SG 3.03Å; F142-C144 VanDerWaalsContact C-N 3.31Å; F142-C144 PolarHBondContact O-N 2.9Å; C144-E146 VanDerWaalsContact C-N 3.32Å; C144-E146 PolarHBondContact O-N 3.3Å; C144-L147 PolarHBondContact O-N 3.13Å; C144-L147 VanDerWaalsContact O-N 3.15Å; C144-E148 WeakPolarHBondContact O-CG 3.46Å; C144-E148 PolarHBondContact O-N 3.21Å
145S91.1Very high89.2Confident47 Ų4731.2 Ų31.233%0.32917%0.165SC..Hα-helixtrans-63.2-36.6-179.668.30000113.4N141 F142 A149N141-S145 WeakPolarHBondContact O-CB 3.48Å; N141-S145 PolarHBondContact O-N 3.13Å; N141-S145 PolarHBondContact O-OG 3.49Å; F142-S145 WeakPolarHBondContact CA-OG 3.22Å; F142-S145 PolarHBondContact O-N 3.17Å; F142-S145 VanDerWaalsContact O-N 3.09Å; F142-S145 PolarHBondContact O-OG 3.37Å; S145-A149 VanDerWaalsContact O-CB 3.29Å; S145-A149 WeakPolarHBondContact O-CB 3.34Å; S145-A149 PolarHBondContact O-N 2.77Å
146E91.2Very high88.5Confident13 Ų1333.9 Ų33.96%0.06119%0.187CC..Hα-helixtrans-70-37175-67.9-52.3140.900111.8R18 L81 M114 F142 L143 C144 A149 S150R18-E146 IonicContact CZ-OE1 3.57Å; R18-E146 IonicContact CZ-OE2 2.85Å; R18-E146 IonicContact NH1-OE1 2.69Å; R18-E146 PolarHBondContact NH1-OE1 2.88Å; R18-E146 IonicContact NH1-OE2 2.75Å; R18-E146 PolarHBondContact NH1-OE2 3.19Å; R18-E146 IonicContact NH2-OE1 3.3Å; R18-E146 IonicContact NH2-OE2 2.9Å; R18-E146 PolarHBondContact NH2-OE2 2.92Å; L81-E146 HydrophobicContact CD2-CB 3.97Å; M114-E146 HydrophobicContact CE-CB 3.61Å; M114-E146 HydrophobicContact CE-CG 3.61Å; F142-E146 HydrophobicContact CD1-CG 4.33Å; F142-E146 HydrophobicContact CD2-CG 4.12Å; F142-E146 HydrophobicContact CE1-CG 3.91Å; F142-E146 HydrophobicContact CE2-CG 3.67Å; F142-E146 VanDerWaalsContact CE2-OE1 3.28Å; F142-E146 WeakPolarHBondContact CE2-OE1 3.36Å; F142-E146 HydrophobicContact CG-CG 4.43Å; F142-E146 HydrophobicContact CZ-CG 3.55Å; F142-E146 WeakPolarHBondContact O-CG 3.35Å; F142-E146 PolarHBondContact O-N 3.49Å; L143-E146 PolarHBondContact O-N 3.48Å; C144-E146 VanDerWaalsContact C-N 3.32Å; C144-E146 PolarHBondContact O-N 3.3Å; E146-A149 PolarHBondContact O-N 3.29Å; E146-S150 WeakPolarHBondContact O-CB 3.38Å; E146-S150 PolarHBondContact O-N 3.15Å; E146-S150 PolarHBondContact O-OG 3.15Å
147L88.8Confident87.6Confident0 Ų039.4 Ų39.40%021%0.211CC..Hα-helixtrans-69.2-46.5178.4-17957.8000110.9C45 L47 L77 A80 L81 E84 L143 C144 A149 S150 Q151C45-L147 HydrophobicContact CB-CD2 3.7Å; C45-L147 HydrophobicContact CB-CG 4.47Å; L47-L147 HydrophobicContact CD1-CD2 4.19Å; L77-L147 HydrophobicContact CD2-CD2 4.11Å; A80-L147 HydrophobicContact CB-CD1 4Å; A80-L147 HydrophobicContact CB-CD2 3.7Å; L81-L147 HydrophobicContact CD2-CB 3.86Å; L81-L147 HydrophobicContact CD2-CD1 4.18Å; L81-L147 HydrophobicContact CG-CB 4.1Å; L81-L147 HydrophobicContact CG-CD1 4.22Å; E84-L147 HydrophobicContact CG-CD1 4.35Å; L143-L147 VanDerWaalsContact O-CB 3.28Å; L143-L147 WeakPolarHBondContact O-CB 3.49Å; L143-L147 PolarHBondContact O-N 2.85Å; C144-L147 PolarHBondContact O-N 3.13Å; C144-L147 VanDerWaalsContact O-N 3.15Å; L147-A149 VanDerWaalsContact C-N 3.32Å; L147-A149 PolarHBondContact O-N 3.17Å; L147-S150 PolarHBondContact O-N 3.08Å; L147-S150 VanDerWaalsContact O-N 3.16Å; L147-Q151 HydrophobicContact CD1-CG 4.46Å; L147-Q151 WeakPolarHBondContact O-CG 3.26Å; L147-Q151 PolarHBondContact O-N 3.26Å
148E88.6Confident86.6Confident65 Ų6543.1 Ų43.130%0.30423%0.228SC..Hα-helixtrans-58-44.6173.8-72.2-179.3159.100111.1A41 C144 S150 Q151 I152A41-E148 WeakPolarHBondContact CA-OE1 3.25Å; C144-E148 WeakPolarHBondContact O-CG 3.46Å; C144-E148 PolarHBondContact O-N 3.21Å; E148-S150 VanDerWaalsContact C-N 3.32Å; E148-S150 PolarHBondContact O-N 3.25Å; E148-Q151 PolarHBondContact O-N 2.79Å; E148-I152 VanDerWaalsContact O-CG1 3.26Å; E148-I152 WeakPolarHBondContact O-CG1 3.28Å; E148-I152 PolarHBondContact O-N 3.01Å
149A86.2Confident84.9Confident26 Ų2646.8 Ų46.822%0.21524%0.244CC..Hα-helixtrans-60.8-42.517600000112S145 E146 L147 I152 L153S145-A149 VanDerWaalsContact O-CB 3.29Å; S145-A149 WeakPolarHBondContact O-CB 3.34Å; S145-A149 PolarHBondContact O-N 2.77Å; E146-A149 PolarHBondContact O-N 3.29Å; L147-A149 VanDerWaalsContact C-N 3.32Å; L147-A149 PolarHBondContact O-N 3.17Å; A149-I152 PolarHBondContact O-N 2.83Å; A149-L153 WeakPolarHBondContact O-CG 3.44Å; A149-L153 PolarHBondContact O-N 3.43Å
150S86.2Confident83.4Confident11 Ų1151.7 Ų51.78%0.07728%0.279CS..Hα-helixtrans-65.2-42.6178.9-58.20000111.7T85 E146 L147 E148 I152 L153 S154T85-S150 WeakPolarHBondContact CG2-OG 3.47Å; E146-S150 WeakPolarHBondContact O-CB 3.38Å; E146-S150 PolarHBondContact O-N 3.15Å; E146-S150 PolarHBondContact O-OG 3.15Å; L147-S150 PolarHBondContact O-N 3.08Å; L147-S150 VanDerWaalsContact O-N 3.16Å; E148-S150 VanDerWaalsContact C-N 3.32Å; E148-S150 PolarHBondContact O-N 3.25Å; S150-I152 PolarHBondContact O-N 3.22Å; S150-L153 PolarHBondContact O-N 2.85Å; S150-S154 WeakPolarHBondContact O-CB 3.49Å; S150-S154 PolarHBondContact O-N 2.99Å
151Q84.9Confident81.5Confident58 Ų5854.5 Ų54.527%0.27131%0.307SS..Hα-helixtrans-61.7-43.5174.7-72174.9-7.100112E84 L147 E148 L153 S154 E155E84-Q151 HydrophobicContact CG-CG 4.29Å; L147-Q151 HydrophobicContact CD1-CG 4.46Å; L147-Q151 WeakPolarHBondContact O-CG 3.26Å; L147-Q151 PolarHBondContact O-N 3.26Å; E148-Q151 PolarHBondContact O-N 2.79Å; Q151-L153 VanDerWaalsContact C-N 3.31Å; Q151-L153 PolarHBondContact O-N 2.87Å; Q151-S154 WeakPolarHBondContact O-CB 3.25Å; Q151-S154 PolarHBondContact O-N 3.42Å; Q151-E155 WeakPolarHBondContact O-CG 3.44Å; Q151-E155 PolarHBondContact O-N 3.28Å
152I83.7Confident79.3Confident121 Ų12157.8 Ų57.862%0.62133%0.325SS*.Hα-helixtrans-60.3-42.7176-68.6164.3000110.7E148 A149 S150 A156E148-I152 VanDerWaalsContact O-CG1 3.26Å; E148-I152 WeakPolarHBondContact O-CG1 3.28Å; E148-I152 PolarHBondContact O-N 3.01Å; A149-I152 PolarHBondContact O-N 2.83Å; S150-I152 PolarHBondContact O-N 3.22Å; I152-A156 WeakPolarHBondContact O-CB 3.38Å; I152-A156 PolarHBondContact O-N 3.35Å
153L82Confident77.1Confident103 Ų10365.1 Ų65.154%0.53936%0.364SS..Hα-helixtrans-68.3-38.1177.7-69.5173.3000112.4A149 S150 Q151 A156 K157A149-L153 WeakPolarHBondContact O-CG 3.44Å; A149-L153 PolarHBondContact O-N 3.43Å; S150-L153 PolarHBondContact O-N 2.85Å; Q151-L153 VanDerWaalsContact C-N 3.31Å; Q151-L153 PolarHBondContact O-N 2.87Å; L153-A156 PolarHBondContact O-N 3.49Å; L153-K157 WeakPolarHBondContact O-CG 3.38Å; L153-K157 PolarHBondContact O-N 3.26Å
154S80.4Confident75Confident22 Ų2270.1 Ų70.115%0.15439%0.39CS..Hα-helixtrans-60.3-48.1174.9-1740000110.8E84 S150 Q151 K157 K158E84-S154 WeakPolarHBondContact OE2-CB 3.13Å; E84-S154 PolarHBondContact OE2-OG 3.39Å; S150-S154 WeakPolarHBondContact O-CB 3.49Å; S150-S154 PolarHBondContact O-N 2.99Å; Q151-S154 WeakPolarHBondContact O-CB 3.25Å; Q151-S154 PolarHBondContact O-N 3.42Å; S154-K157 PolarHBondContact O-N 3.2Å; S154-K158 WeakPolarHBondContact O-CG 3.4Å; S154-K158 PolarHBondContact O-N 3.19Å
155E77.9Confident73Confident59 Ų5977.5 Ų77.528%0.27643%0.425SS..Hα-helixtrans-64.5-42.8175.2-69.4-56.113400112.4Q151 K157 K158 H159Q151-E155 WeakPolarHBondContact O-CG 3.44Å; Q151-E155 PolarHBondContact O-N 3.28Å; E155-K157 VanDerWaalsContact C-N 3.29Å; E155-K157 PolarHBondContact O-N 3.37Å; E155-K158 PolarHBondContact O-N 3.06Å; E155-K158 IonicContact OE1-NZ 4Å; E155-K158 PolarHBondContact OE1-NZ 3.19Å; E155-H159 PolarHBondContact O-CD2 3.47Å; E155-H159 PolarHBondContact O-N 3.13Å
156A76.7Confident71.1Confident55 Ų5577.9 Ų77.946%0.45544%0.436SS..Hα-helixtrans-60.1-38.8175.700000112.4I152 L153 H159 S160I152-A156 WeakPolarHBondContact O-CB 3.38Å; I152-A156 PolarHBondContact O-N 3.35Å; L153-A156 PolarHBondContact O-N 3.49Å; A156-H159 PolarHBondContact O-N 3.32Å; A156-S160 PolarHBondContact O-N 3.15Å
157K75.8Confident69.3Low140 Ų14085 Ų8561%0.60947%0.467SS*.Hα-helixtrans-64.7-46.9174-74.9173.8-175.81750111.5L153 S154 E155 H159 S160 G161L153-K157 WeakPolarHBondContact O-CG 3.38Å; L153-K157 PolarHBondContact O-N 3.26Å; S154-K157 PolarHBondContact O-N 3.2Å; E155-K157 VanDerWaalsContact C-N 3.29Å; E155-K157 PolarHBondContact O-N 3.37Å; K157-H159 VanDerWaalsContact C-N 3.26Å; K157-H159 PolarHBondContact O-N 2.91Å; K157-S160 PolarHBondContact O-N 3.15Å; K157-S160 VanDerWaalsContact O-N 3.08Å; K157-S160 PolarHBondContact O-OG 3.46Å; K157-G161 PolarHBondContact O-N 3.41Å; K157-G161 VanDerWaalsContact O-N 3.14Å
158K72.2Confident67.5Low104 Ų10486.8 Ų86.845%0.45248%0.48SS..Hα-helixtrans-56.5-41.7177.4-69.7172-164.3168.70111.4S154 E155 G161 N162S154-K158 WeakPolarHBondContact O-CG 3.4Å; S154-K158 PolarHBondContact O-N 3.19Å; E155-K158 PolarHBondContact O-N 3.06Å; E155-K158 IonicContact OE1-NZ 4Å; E155-K158 PolarHBondContact OE1-NZ 3.19Å; K158-G161 PolarHBondContact O-N 3.35Å; K158-N162 PolarHBondContact O-N 3.23Å
159H57.6Low65.8Low105 Ų10586.7 Ų86.749%0.48649%0.486SS..Hα-helixtrans-72.5-28.1176.9-72.1-59.5000114.2E155 A156 K157 G161E155-H159 PolarHBondContact O-CD2 3.47Å; E155-H159 PolarHBondContact O-N 3.13Å; A156-H159 PolarHBondContact O-N 3.32Å; K157-H159 VanDerWaalsContact C-N 3.26Å; K157-H159 PolarHBondContact O-N 2.91Å; H159-G161 VanDerWaalsContact C-N 3.34Å
160S62.4Low64.3Low103 Ų10392.2 Ų92.272%0.7251%0.507SS*.Hα-helixtrans-72.1-27.6173.472.80000113.3A156 K157A156-S160 PolarHBondContact O-N 3.15Å; K157-S160 PolarHBondContact O-N 3.15Å; K157-S160 VanDerWaalsContact O-N 3.08Å; K157-S160 PolarHBondContact O-OG 3.46Å
161G54.4Low62.9Low59 Ų5994.2 Ų94.261%0.60852%0.521SS*.Hα-helixtrans-99.5-32-174.800000115.6K157 K158 H159K157-G161 PolarHBondContact O-N 3.41Å; K157-G161 VanDerWaalsContact O-N 3.14Å; K158-G161 PolarHBondContact O-N 3.35Å; H159-G161 VanDerWaalsContact C-N 3.34Å
162N45.9Very low61.9Low114 Ų11495.7 Ų95.761%0.6153%0.534SS*.  trans-113.699.6-176.2-81.9-33.3000111.5K158 D164K158-N162 PolarHBondContact O-N 3.23Å; N162-D164 PolarHBondContact O-N 3.12Å; N162-D164 VanDerWaalsContact O-N 3.07Å
163L48.9Very low60.9Low162 Ų16296.7 Ų96.785%0.84853%0.534SS*.  trans-74.333.2162.7-84.5149000112.2E165L163-E165 PolarHBondContact O-N 3.47Å
164D47.1Very low60.3Low106 Ų10698.9 Ų98.957%0.56754%0.541SS*.  trans-87.187.6171-98.5-7.9000108.7N162 G166N162-D164 PolarHBondContact O-N 3.12Å; N162-D164 VanDerWaalsContact O-N 3.07Å; D164-G166 PolarHBondContact O-N 3.44Å
165E52.1Low59.5Low154 Ų154104.4 Ų104.472%0.7256%0.563SS**Hα-helixtrans-55.7-20-176.7-62.2-169.9159.700114.3L163 S168 S169L163-E165 PolarHBondContact O-N 3.47Å; E165-S168 PolarHBondContact O-OG 2.93Å; E165-S169 PolarHBondContact O-OG 3.37Å
166G50Low58.8Low55 Ų55104 Ų10457%0.56757%0.569SS**Hα-helixtrans-77-42.9-174.600000115.3D164D164-G166 PolarHBondContact O-N 3.44Å
167K52.9Low58.3Low163 Ų163107.7 Ų107.771%0.70958%0.581SS**Hα-helixtrans-80.1-34.4-176.7-72.5-178.3-178.7170.70112.6S169 Q170 S171K167-S169 VanDerWaalsContact C-N 3.33Å; K167-S169 PolarHBondContact O-N 3.47Å; K167-Q170 PolarHBondContact O-N 3.39Å; K167-S171 PolarHBondContact O-N 3.1Å
168S51.4Low57.8Low38 Ų38104.4 Ų104.427%0.26659%0.587SS.*Hα-helixtrans-62.8-40.2177.955.90000112E165 Q170 S171 V172E165-S168 PolarHBondContact O-OG 2.93Å; S168-Q170 VanDerWaalsContact C-N 3.31Å; S168-Q170 PolarHBondContact O-N 3.33Å; S168-S171 PolarHBondContact O-N 3.36Å; S168-V172 VanDerWaalsContact O-CG2 3.25Å; S168-V172 WeakPolarHBondContact O-CG2 3.35Å; S168-V172 PolarHBondContact O-N 3.31Å; S168-V172 VanDerWaalsContact O-N 3.12Å
169S52.9Low57.6Low62 Ų62102.6 Ų102.643%0.43459%0.585SS.*Hα-helixtrans-62.9-32.6179.4-640000113.6E165 K167 K173E165-S169 PolarHBondContact O-OG 3.37Å; K167-S169 VanDerWaalsContact C-N 3.33Å; K167-S169 PolarHBondContact O-N 3.47Å; S169-K173 VanDerWaalsContact O-CG 3.26Å; S169-K173 WeakPolarHBondContact O-CG 3.26Å; S169-K173 PolarHBondContact O-N 3.47Å
170Q55.1Low58Low143 Ų143100.3 Ų100.367%0.66858%0.58SS**Hα-helixtrans-76.2-45.4179.4-71.1-176.8-32.100112.1K167 S168 V172 K173 E174K167-Q170 PolarHBondContact O-N 3.39Å; S168-Q170 VanDerWaalsContact C-N 3.31Å; S168-Q170 PolarHBondContact O-N 3.33Å; Q170-V172 VanDerWaalsContact C-N 3.34Å; Q170-V172 PolarHBondContact O-N 3.47Å; Q170-K173 PolarHBondContact O-N 3.41Å; Q170-E174 PolarHBondContact O-N 2.72Å; Q170-E174 VanDerWaalsContact O-N 3.1Å
171S57.5Low58.1Low52 Ų52103.7 Ų103.736%0.36458%0.582SS.*Hα-helixtrans-64.6-37.8178.9-176.50000112.5K167 S168 E174 K175K167-S171 PolarHBondContact O-N 3.1Å; S168-S171 PolarHBondContact O-N 3.36Å; S171-E174 PolarHBondContact O-N 3Å; S171-K175 PolarHBondContact O-N 2.99Å; S171-K175 VanDerWaalsContact O-N 3.15Å
172V63.4Low58.8Low89 Ų89107.9 Ų107.954%0.53959%0.591SS.*Hα-helixtrans-65.3-38.9175.9174.40000111.4S168 Q170 A176S168-V172 VanDerWaalsContact O-CG2 3.25Å; S168-V172 WeakPolarHBondContact O-CG2 3.35Å; S168-V172 PolarHBondContact O-N 3.31Å; S168-V172 VanDerWaalsContact O-N 3.12Å; Q170-V172 VanDerWaalsContact C-N 3.34Å; Q170-V172 PolarHBondContact O-N 3.47Å; V172-A176 VanDerWaalsContact O-CB 3.22Å; V172-A176 WeakPolarHBondContact O-CB 3.48Å; V172-A176 PolarHBondContact O-N 2.68Å
173K63.5Low59.9Low142 Ų142109 Ų10962%0.61760%0.597SS**Hα-helixtrans-63.4-47176.1-77.1176.5-176.6-1760111.9S169 Q170 K175 A176 D177S169-K173 VanDerWaalsContact O-CG 3.26Å; S169-K173 WeakPolarHBondContact O-CG 3.26Å; S169-K173 PolarHBondContact O-N 3.47Å; Q170-K173 PolarHBondContact O-N 3.41Å; K173-K175 VanDerWaalsContact C-N 3.34Å; K173-K175 PolarHBondContact O-N 2.88Å; K173-A176 PolarHBondContact O-N 3.13Å; K173-A176 VanDerWaalsContact O-N 3.15Å; K173-D177 VanDerWaalsContact O-CG 3.27Å; K173-D177 PolarHBondContact O-N 2.95Å
174E67.8Low60.9Low149 Ų149104 Ų10470%0.69657%0.57SS**Hα-helixtrans-59.2-43.8179.2-172.5-178.8-177.500112.1Q170 S171 D177 G178Q170-E174 PolarHBondContact O-N 2.72Å; Q170-E174 VanDerWaalsContact O-N 3.1Å; S171-E174 PolarHBondContact O-N 3Å; E174-D177 PolarHBondContact O-N 3.48Å; E174-G178 PolarHBondContact O-N 3.22Å
175K64.1Low62.4Low139 Ų139100.1 Ų100.160%0.60456%0.556SS**Hα-helixtrans-69.5-36.8175.4-72.8-175.2178.4177.80112.8S171 K173 D177 G178S171-K175 PolarHBondContact O-N 2.99Å; S171-K175 VanDerWaalsContact O-N 3.15Å; K173-K175 VanDerWaalsContact C-N 3.34Å; K173-K175 PolarHBondContact O-N 2.88Å; K175-D177 VanDerWaalsContact C-N 3.33Å; K175-G178 PolarHBondContact O-N 3.44Å
176A63.3Low63.7Low50 Ų5099.4 Ų99.441%0.41355%0.548SS..Hα-helixtrans-67.2-33.8177.100000112.3V172 K173 G178 V179V172-A176 VanDerWaalsContact O-CB 3.22Å; V172-A176 WeakPolarHBondContact O-CB 3.48Å; V172-A176 PolarHBondContact O-N 2.68Å; K173-A176 PolarHBondContact O-N 3.13Å; K173-A176 VanDerWaalsContact O-N 3.15Å; A176-G178 VanDerWaalsContact C-N 3.29Å; A176-G178 PolarHBondContact O-N 3.32Å; A176-V179 PolarHBondContact O-N 3.01Å
177D65.7Low65.2Low133 Ų13398.8 Ų98.871%0.71154%0.537SS*.Hα-helixtrans-70-25.7176.1-70.9-27.9000112.5K173 E174 K175 V179K173-D177 VanDerWaalsContact O-CG 3.27Å; K173-D177 PolarHBondContact O-N 2.95Å; E174-D177 PolarHBondContact O-N 3.48Å; K175-D177 VanDerWaalsContact C-N 3.33Å; D177-V179 VanDerWaalsContact C-N 3.3Å; D177-V179 PolarHBondContact O-N 3.07Å
178G65.9Low66.7Low71 Ų7195 Ų9573%0.73252%0.524SS*.THydrogen-bonded Turntrans-75.3-13.1175.400000115E174 K175 A176E174-G178 PolarHBondContact O-N 3.22Å; K175-G178 PolarHBondContact O-N 3.44Å; A176-G178 VanDerWaalsContact C-N 3.29Å; A176-G178 PolarHBondContact O-N 3.32Å
179V68.7Low68.2Low66 Ų6696.5 Ų96.540%0.453%0.526SS..SBendtrans-98.8132.4179.9-175.70000109.6A176 D177 K181 L184A176-V179 PolarHBondContact O-N 3.01Å; D177-V179 VanDerWaalsContact C-N 3.3Å; D177-V179 PolarHBondContact O-N 3.07Å; V179-K181 PolarHBondContact O-N 3.25Å; V179-L184 HydrophobicContact CB-CD1 3.7Å; V179-L184 HydrophobicContact CB-CG 4.36Å; V179-L184 HydrophobicContact CG1-CD1 3.46Å; V179-L184 VanDerWaalsContact CG1-CD1 3.46Å; V179-L184 HydrophobicContact CG1-CD2 4.03Å; V179-L184 HydrophobicContact CG1-CG 3.57Å
180S64.6Low69.6Low56 Ų56100.9 Ų100.939%0.39254%0.54SS..  trans-57.4129.2177.5-177.10000110.7D182 D183 L184S180-D182 PolarHBondContact O-N 3.25Å; S180-D182 VanDerWaalsContact O-N 3.17Å; S180-D182 PolarHBondContact OG-N 3.26Å; S180-D183 WeakPolarHBondContact CB-OD2 3.35Å; S180-D183 PolarHBondContact O-N 3.4Å; S180-D183 VanDerWaalsContact O-N 3.16Å; S180-L184 PolarHBondContact O-N 2.92Å
181K65.4Low70.8Confident174 Ų17497.2 Ų97.276%0.75753%0.529SS*.Hα-helixtrans-59.2-26.3176.3-69.1179.5-179.8174.20112.2V179 G185V179-K181 PolarHBondContact O-N 3.25Å; K181-G185 PolarHBondContact O-N 3.49Å
182D69.5Low72Confident148 Ų148102.4 Ų102.479%0.79155%0.553SS**Hα-helixtrans-70.7-34.4179.9-64.9-21.7000112.2S180S180-D182 PolarHBondContact O-N 3.25Å; S180-D182 VanDerWaalsContact O-N 3.17Å; S180-D182 PolarHBondContact OG-N 3.26Å
183D68.9Low73Confident138 Ų13899.9 Ų99.974%0.73854%0.537SS*.Hα-helixtrans-76.3-31.7179.3-65-34.8000112S180S180-D183 WeakPolarHBondContact CB-OD2 3.35Å; S180-D183 PolarHBondContact O-N 3.4Å; S180-D183 VanDerWaalsContact O-N 3.16Å
184L70Confident74.1Confident55 Ų5595.9 Ų95.929%0.28853%0.527SS..Hα-helixtrans-83.9-22.9-176.3-76.5169.7000113V179 S180 R269V179-L184 HydrophobicContact CB-CD1 3.7Å; V179-L184 HydrophobicContact CB-CG 4.36Å; V179-L184 HydrophobicContact CG1-CD1 3.46Å; V179-L184 VanDerWaalsContact CG1-CD1 3.46Å; V179-L184 HydrophobicContact CG1-CD2 4.03Å; V179-L184 HydrophobicContact CG1-CG 3.57Å; S180-L184 PolarHBondContact O-N 2.92Å; L184-R269 WeakPolarHBondContact O-CD 3.46Å; L184-R269 PolarHBondContact O-NE 3.11Å
185G77.2Confident75.1Confident26 Ų2692.9 Ų92.927%0.26853%0.527SS..  trans67.7-179.7-172.100000113.5K181 N270K181-G185 PolarHBondContact O-N 3.49Å; G185-N270 WeakPolarHBondContact CA-OD1 3.22Å
186Y80.5Confident76.4Confident139 Ų13993.5 Ų93.555%0.54553%0.532SS..  trans-93.7144.3-178.663-90.7000112L188 N270Y186-L188 HydrophobicContact CE2-CD2 4.44Å; Y186-L188 PolarHBondContact O-N 3.4Å; Y186-N270 HydrophobicContact CD1-CB 3.93Å; Y186-N270 HydrophobicContact CD2-CB 4.12Å; Y186-N270 HydrophobicContact CE1-CB 3.56Å; Y186-N270 WeakPolarHBondContact CE1-ND2 3.46Å; Y186-N270 HydrophobicContact CE2-CB 3.77Å; Y186-N270 HydrophobicContact CG-CB 4.19Å; Y186-N270 VanDerWaalsContact CZ-CB 3.47Å; Y186-N270 PolarHBondContact N-OD1 2.98Å; Y186-N270 PolarHBondContact O-N 2.72Å; Y186-N270 VanDerWaalsContact O-N 3.15Å
187A82.2Confident77.7Confident41 Ų4198.3 Ų98.334%0.33954%0.54SS..BIsolated β-bridgetrans-61.8131.9170.600000109.7F189 Q190A187-F189 PolarHBondContact O-N 2.99Å; A187-Q190 WeakPolarHBondContact O-CG 3.35Å; A187-Q190 PolarHBondContact O-NE2 3.33Å
188L83.8Confident78.9Confident85 Ų8595.7 Ų95.745%0.44552%0.52SS..SBendtrans-65.9-32.1177.8-77.8175.2000111.7Y186 A268 R269 N270Y186-L188 HydrophobicContact CE2-CD2 4.44Å; Y186-L188 PolarHBondContact O-N 3.4Å; L188-A268 HydrophobicContact CD1-CB 4.23Å; L188-A268 PolarHBondContact N-O 2.9Å; L188-R269 WeakPolarHBondContact CD1-O 3.36Å; L188-R269 WeakPolarHBondContact CG-O 3.09Å; L188-N270 HydrophobicContact CD2-CB 4.43Å
189F83Confident80.2Confident69 Ų6996.2 Ų96.230%0.30351%0.506SS..  trans-107.2115.4-180-171.7-106.1000110.5A187 S191 L193 L266A187-F189 PolarHBondContact O-N 2.99Å; F189-S191 WeakPolarHBondContact CE1-O 3.12Å; F189-S191 WeakPolarHBondContact CE2-OG 3.39Å; F189-S191 WeakPolarHBondContact CZ-O 3.48Å; F189-S191 VanDerWaalsContact CZ-OG 3.24Å; F189-S191 WeakPolarHBondContact CZ-OG 3.5Å; F189-L193 HydrophobicContact CE1-CD1 4.41Å; F189-L193 HydrophobicContact CE1-CG 4.12Å; F189-L193 HydrophobicContact CE2-CD2 4.1Å; F189-L193 HydrophobicContact CE2-CG 4.38Å; F189-L193 HydrophobicContact CZ-CD1 3.95Å; F189-L193 HydrophobicContact CZ-CD2 3.6Å; F189-L193 HydrophobicContact CZ-CG 3.49Å; F189-L193 VanDerWaalsContact CZ-CG 3.49Å; F189-L266 HydrophobicContact CD1-CD2 3.39Å; F189-L266 HydrophobicContact CE1-CD2 3.78Å; F189-L266 HydrophobicContact CG-CD2 4.18Å
190Q81.1Confident81.4Confident154 Ų15496.1 Ų96.172%0.7250%0.502SS*.  trans-117.9-11.8-173.3-62.8179-700113.9A187A187-Q190 WeakPolarHBondContact O-CG 3.35Å; A187-Q190 PolarHBondContact O-NE2 3.33Å
191S79.9Confident82.7Confident65 Ų6594.9 Ų94.946%0.45549%0.493SS..SBendtrans-93.6159.5-176.958.10000112.3F189F189-S191 WeakPolarHBondContact CE1-O 3.12Å; F189-S191 WeakPolarHBondContact CE2-OG 3.39Å; F189-S191 WeakPolarHBondContact CZ-O 3.48Å; F189-S191 VanDerWaalsContact CZ-OG 3.24Å; F189-S191 WeakPolarHBondContact CZ-OG 3.5Å
192N83.7Confident84Confident162 Ų16289.8 Ų89.887%0.86647%0.474SS*.PPolyproline II helixtrans-88.1143168.4-65.8-40.9000110.7
193L83.9Confident85.2Confident36 Ų3688.9 Ų88.919%0.18846%0.459CS..PPolyproline II helixtrans-99.7141.8173.8-60.5178.1000110.8F189 R197 W198 V201F189-L193 HydrophobicContact CE1-CD1 4.41Å; F189-L193 HydrophobicContact CE1-CG 4.12Å; F189-L193 HydrophobicContact CE2-CD2 4.1Å; F189-L193 HydrophobicContact CE2-CG 4.38Å; F189-L193 HydrophobicContact CZ-CD1 3.95Å; F189-L193 HydrophobicContact CZ-CD2 3.6Å; F189-L193 HydrophobicContact CZ-CG 3.49Å; F189-L193 VanDerWaalsContact CZ-CG 3.49Å; L193-R197 HydrophobicContact CB-CB 4.17Å; L193-R197 HydrophobicContact CD2-CB 4.26Å; L193-W198 HydrophobicContact CB-CD2 4.07Å; L193-W198 HydrophobicContact CB-CG 4.23Å; L193-W198 HydrophobicContact CB-CZ2 4.09Å; L193-W198 HydrophobicContact CD1-CD2 3.93Å; L193-W198 HydrophobicContact CD1-CE3 3.83Å; L193-W198 HydrophobicContact CD1-CH2 3.86Å; L193-W198 HydrophobicContact CD1-CZ2 4Å; L193-W198 HydrophobicContact CD1-CZ3 3.76Å; L193-W198 HydrophobicContact CG-CZ2 4.3Å; L193-W198 PolarHBondContact O-NE1 3.3Å; L193-V201 HydrophobicContact CD1-CG2 3.96Å
194S87.1Confident86.4Confident58 Ų5887.1 Ų87.141%0.40645%0.448SS..PPolyproline II helixtrans-71.4160.9167.163.70000111E196 R197 W198S194-E196 VanDerWaalsContact C-N 3.26Å; S194-E196 PolarHBondContact O-N 2.97Å; S194-R197 PolarHBondContact O-N 3.34Å; S194-R197 WeakPolarHBondContact OG-CG 3.4Å; S194-R197 PolarHBondContact OG-N 2.95Å; S194-W198 VanDerWaalsContact O-CD1 3.24Å; S194-W198 PolarHBondContact O-N 3.06Å
195A89Confident87.5Confident86 Ų8685.4 Ų85.471%0.71144%0.439SS*.Hα-helixtrans-55.7-40177.400000112.9R197 W198 D199A195-R197 PolarHBondContact O-N 3.5Å; A195-W198 WeakPolarHBondContact O-CB 3.29Å; A195-W198 PolarHBondContact O-N 3.42Å; A195-D199 PolarHBondContact O-N 2.78Å
196E90.3Very high88.3Confident151 Ų15190.1 Ų90.171%0.70645%0.454SS*.Hα-helixtrans-63.1-40.3175.7-173-173.8179.200112.4S194 W198 D199 I200S194-E196 VanDerWaalsContact C-N 3.26Å; S194-E196 PolarHBondContact O-N 2.97Å; E196-W198 VanDerWaalsContact C-N 3.34Å; E196-D199 PolarHBondContact O-N 3.28Å; E196-I200 PolarHBondContact O-N 3.03Å
197R90.3Very high89Confident152 Ų15290.1 Ų90.157%0.57446%0.459SS*.Hα-helixtrans-69.4-33.5177.2-71.8-178.7-178.8-168.41112.1L193 S194 A195 D199 I200 V201L193-R197 HydrophobicContact CB-CB 4.17Å; L193-R197 HydrophobicContact CD2-CB 4.26Å; S194-R197 PolarHBondContact O-N 3.34Å; S194-R197 WeakPolarHBondContact OG-CG 3.4Å; S194-R197 PolarHBondContact OG-N 2.95Å; A195-R197 PolarHBondContact O-N 3.5Å; R197-D199 VanDerWaalsContact C-N 3.33Å; R197-I200 PolarHBondContact O-N 2.83Å; R197-V201 WeakPolarHBondContact O-CG2 3.33Å; R197-V201 PolarHBondContact O-N 3.03Å
198W92.3Very high89.5Confident78 Ų7892.7 Ų92.730%0.29547%0.465SS..Hα-helixtrans-61.5-40.8173.6-79.3117.8000112.5L193 S194 A195 E196 I200 V201 N202 V262 L266L193-W198 HydrophobicContact CB-CD2 4.07Å; L193-W198 HydrophobicContact CB-CG 4.23Å; L193-W198 HydrophobicContact CB-CZ2 4.09Å; L193-W198 HydrophobicContact CD1-CD2 3.93Å; L193-W198 HydrophobicContact CD1-CE3 3.83Å; L193-W198 HydrophobicContact CD1-CH2 3.86Å; L193-W198 HydrophobicContact CD1-CZ2 4Å; L193-W198 HydrophobicContact CD1-CZ3 3.76Å; L193-W198 HydrophobicContact CG-CZ2 4.3Å; L193-W198 PolarHBondContact O-NE1 3.3Å; S194-W198 VanDerWaalsContact O-CD1 3.24Å; S194-W198 PolarHBondContact O-N 3.06Å; A195-W198 WeakPolarHBondContact O-CB 3.29Å; A195-W198 PolarHBondContact O-N 3.42Å; E196-W198 VanDerWaalsContact C-N 3.34Å; W198-I200 VanDerWaalsContact C-N 3.31Å; W198-I200 PolarHBondContact O-N 2.73Å; W198-V201 PolarHBondContact O-N 3.05Å; W198-N202 WeakPolarHBondContact O-CB 3.36Å; W198-N202 VanDerWaalsContact O-CG 3.28Å; W198-N202 PolarHBondContact O-N 3.24Å; W198-N202 PolarHBondContact O-ND2 2.89Å; W198-N202 VanDerWaalsContact O-ND2 3.14Å; W198-V262 HydrophobicContact CE3-CG1 4.16Å; W198-V262 HydrophobicContact CH2-CG1 4.46Å; W198-V262 HydrophobicContact CZ3-CG1 3.48Å; W198-V262 VanDerWaalsContact CZ3-CG1 3.48Å; W198-L266 HydrophobicContact CH2-CD1 3.5Å; W198-L266 VanDerWaalsContact CH2-CD1 3.5Å; W198-L266 HydrophobicContact CH2-CD2 3.67Å; W198-L266 HydrophobicContact CH2-CG 4.08Å; W198-L266 HydrophobicContact CZ2-CD1 4.45Å; W198-L266 HydrophobicContact CZ3-CD1 4.13Å; W198-L266 HydrophobicContact CZ3-CD2 4.3Å
199D92.3Very high90Very high82 Ų8292.9 Ų92.944%0.43946%0.46SS..Hα-helixtrans-58.4-45.2174.6178.473.5000111.6A195 E196 R197 V201 N202 R203A195-D199 PolarHBondContact O-N 2.78Å; E196-D199 PolarHBondContact O-N 3.28Å; R197-D199 VanDerWaalsContact C-N 3.33Å; D199-V201 PolarHBondContact O-N 2.82Å; D199-N202 PolarHBondContact O-N 3.22Å; D199-R203 WeakPolarHBondContact O-CG 3.32Å; D199-R203 PolarHBondContact O-N 3.41Å; D199-R203 IonicContact OD2-CZ 2.84Å; D199-R203 IonicContact OD2-NE 3.09Å; D199-R203 PolarHBondContact OD2-NE 3.4Å; D199-R203 IonicContact OD2-NH2 3.39Å; D199-R203 PolarHBondContact OD2-NH2 2.92Å; D199-R203 VanDerWaalsContact OD2-NH2 3.09Å
200I93.5Very high90.5Very high63 Ų6392.6 Ų92.632%0.32347%0.47SS..Hα-helixtrans-60.5-47176.7-61.6168.6000110.9E196 R197 W198 N202 R203 M204E196-I200 PolarHBondContact O-N 3.03Å; R197-I200 PolarHBondContact O-N 2.83Å; W198-I200 VanDerWaalsContact C-N 3.31Å; W198-I200 PolarHBondContact O-N 2.73Å; I200-N202 VanDerWaalsContact C-N 3.33Å; I200-N202 PolarHBondContact O-N 2.72Å; I200-R203 PolarHBondContact O-N 3.26Å; I200-M204 HydrophobicContact CG2-CE 3.67Å; I200-M204 HydrophobicContact CG2-CG 4.45Å; I200-M204 HydrophobicContact CG2-SD 4.16Å; I200-M204 WeakPolarHBondContact O-CG 3.23Å; I200-M204 PolarHBondContact O-N 3.26Å
201V92.4Very high91.1Very high31 Ų3188.4 Ų88.419%0.18845%0.453CS..Hα-helixtrans-62-41.2179.1170.70000111.3L193 R197 W198 D199 M204 N205 V262 L265L193-V201 HydrophobicContact CD1-CG2 3.96Å; R197-V201 WeakPolarHBondContact O-CG2 3.33Å; R197-V201 PolarHBondContact O-N 3.03Å; W198-V201 PolarHBondContact O-N 3.05Å; D199-V201 PolarHBondContact O-N 2.82Å; V201-M204 PolarHBondContact O-N 2.84Å; V201-N205 WeakPolarHBondContact O-CB 3.38Å; V201-N205 PolarHBondContact O-N 3.08Å; V201-V262 HydrophobicContact CG1-CG1 3.96Å; V201-V262 HydrophobicContact CG1-CG2 4.31Å; V201-L265 HydrophobicContact CG1-CD2 4.2Å
202N93.5Very high91.8Very high67 Ų6790.8 Ų90.836%0.35845%0.453SS..Hα-helixtrans-63-46.7176.8-74.4-35.1000111.4W198 D199 I200 M204 N205 E206 V262W198-N202 WeakPolarHBondContact O-CB 3.36Å; W198-N202 VanDerWaalsContact O-CG 3.28Å; W198-N202 PolarHBondContact O-N 3.24Å; W198-N202 PolarHBondContact O-ND2 2.89Å; W198-N202 VanDerWaalsContact O-ND2 3.14Å; D199-N202 PolarHBondContact O-N 3.22Å; I200-N202 VanDerWaalsContact C-N 3.33Å; I200-N202 PolarHBondContact O-N 2.72Å; N202-M204 PolarHBondContact O-N 2.93Å; N202-N205 WeakPolarHBondContact O-CB 3.32Å; N202-N205 PolarHBondContact O-N 3.03Å; N202-E206 WeakPolarHBondContact O-CG 3.44Å; N202-E206 PolarHBondContact O-N 3.33Å; N202-V262 WeakPolarHBondContact OD1-CG2 3.08Å
203R94.7Very high92.3Very high129 Ų12987 Ų8749%0.48743%0.428SS..Hα-helixtrans-60.4-43.3175.3-74-170.4-74137.5-5.6112.3D199 I200 N205 E206 Q207D199-R203 WeakPolarHBondContact O-CG 3.32Å; D199-R203 PolarHBondContact O-N 3.41Å; D199-R203 IonicContact OD2-CZ 2.84Å; D199-R203 IonicContact OD2-NE 3.09Å; D199-R203 PolarHBondContact OD2-NE 3.4Å; D199-R203 IonicContact OD2-NH2 3.39Å; D199-R203 PolarHBondContact OD2-NH2 2.92Å; D199-R203 VanDerWaalsContact OD2-NH2 3.09Å; I200-R203 PolarHBondContact O-N 3.26Å; R203-N205 VanDerWaalsContact C-N 3.35Å; R203-N205 PolarHBondContact O-N 3.37Å; R203-E206 PolarHBondContact O-N 3.5Å; R203-Q207 WeakPolarHBondContact O-CG 3.09Å; R203-Q207 PolarHBondContact O-N 3.21Å
204M93.8Very high92.9Very high101 Ų10190.5 Ų90.550%0.49845%0.447SS..Hα-helixtrans-61.5-43.7174.9-73.5179.5175.900111.5I200 V201 N202 E206 Q207 M208I200-M204 HydrophobicContact CG2-CE 3.67Å; I200-M204 HydrophobicContact CG2-CG 4.45Å; I200-M204 HydrophobicContact CG2-SD 4.16Å; I200-M204 WeakPolarHBondContact O-CG 3.23Å; I200-M204 PolarHBondContact O-N 3.26Å; V201-M204 PolarHBondContact O-N 2.84Å; N202-M204 PolarHBondContact O-N 2.93Å; M204-E206 VanDerWaalsContact C-N 3.35Å; M204-E206 PolarHBondContact O-N 3Å; M204-Q207 PolarHBondContact O-N 3.01Å; M204-M208 WeakPolarHBondContact O-CB 3.4Å; M204-M208 WeakPolarHBondContact O-CG 3.48Å; M204-M208 PolarHBondContact O-N 3.14Å
205N93.4Very high93.3Very high19 Ų1993 Ų9310%0.10245%0.447CS..Hα-helixtrans-62.9-40.8178.1-177.149.1000111.9V201 N202 R203 M208 R209 V262V201-N205 WeakPolarHBondContact O-CB 3.38Å; V201-N205 PolarHBondContact O-N 3.08Å; N202-N205 WeakPolarHBondContact O-CB 3.32Å; N202-N205 PolarHBondContact O-N 3.03Å; R203-N205 VanDerWaalsContact C-N 3.35Å; R203-N205 PolarHBondContact O-N 3.37Å; N205-M208 PolarHBondContact O-N 3.34Å; N205-R209 PolarHBondContact ND2-NE 3.4Å; N205-R209 WeakPolarHBondContact O-CB 3.45Å; N205-R209 WeakPolarHBondContact O-CG 3.37Å; N205-R209 PolarHBondContact O-N 3.3Å; N205-V262 HydrophobicContact CB-CG2 4.01Å
206E93.2Very high93.6Very high124 Ų12493.6 Ų93.658%0.57943%0.431SS*.Hα-helixtrans-61.8-46.1174.1-73.5174.3-177.900112.4N202 R203 M204 R209 A210N202-E206 WeakPolarHBondContact O-CG 3.44Å; N202-E206 PolarHBondContact O-N 3.33Å; R203-E206 PolarHBondContact O-N 3.5Å; M204-E206 VanDerWaalsContact C-N 3.35Å; M204-E206 PolarHBondContact O-N 3Å; E206-R209 PolarHBondContact O-N 3.08Å; E206-A210 PolarHBondContact O-N 2.93Å
207Q94.9Very high93.8Very high140 Ų14090.1 Ų90.165%0.65442%0.415SS*.Hα-helixtrans-61.4-46176.4-72.5178-17.800111.8R203 M204 R209 A210 D211R203-Q207 WeakPolarHBondContact O-CG 3.09Å; R203-Q207 PolarHBondContact O-N 3.21Å; M204-Q207 PolarHBondContact O-N 3.01Å; Q207-R209 PolarHBondContact O-N 2.99Å; Q207-A210 PolarHBondContact O-N 3.09Å; Q207-D211 PolarHBondContact O-N 2.86Å; Q207-D211 VanDerWaalsContact O-N 3.08Å
208M93.8Very high94.1Very high95 Ų9587.8 Ų87.847%0.46841%0.412SS..Hα-helixtrans-61.8-43.6176.6-73.8-169.6-65.600111.4M204 N205 A210 D211 Y212M204-M208 WeakPolarHBondContact O-CB 3.4Å; M204-M208 WeakPolarHBondContact O-CG 3.48Å; M204-M208 PolarHBondContact O-N 3.14Å; N205-M208 PolarHBondContact O-N 3.34Å; M208-A210 VanDerWaalsContact C-N 3.3Å; M208-A210 PolarHBondContact O-N 3.43Å; M208-D211 PolarHBondContact O-N 3.15Å; M208-Y212 HydrophobicContact CB-CD2 4.38Å; M208-Y212 WeakPolarHBondContact O-CB 3.04Å; M208-Y212 VanDerWaalsContact O-CD2 3.25Å; M208-Y212 WeakPolarHBondContact O-CD2 3.5Å; M208-Y212 PolarHBondContact O-N 2.97Å
209R93.1Very high94.3Very high88 Ų8888.5 Ų88.533%0.33242%0.421SS..Hα-helixtrans-58-42.3176.1-78.4168.7168.2-167.3-4.5111.9N205 E206 Q207 K213 I260 T261N205-R209 PolarHBondContact ND2-NE 3.4Å; N205-R209 WeakPolarHBondContact O-CB 3.45Å; N205-R209 WeakPolarHBondContact O-CG 3.37Å; N205-R209 PolarHBondContact O-N 3.3Å; E206-R209 PolarHBondContact O-N 3.08Å; Q207-R209 PolarHBondContact O-N 2.99Å; R209-K213 WeakPolarHBondContact O-CB 3.42Å; R209-K213 PolarHBondContact O-N 3.5Å; R209-I260 PolarHBondContact NE-O 3.42Å; R209-I260 PolarHBondContact NH2-O 3.31Å; R209-T261 VanDerWaalsContact NH2-CA 3.31Å
210A93.5Very high94.5Very high64 Ų6485.5 Ų85.553%0.52941%0.405SS..Hα-helixtrans-62.8-46.6177.400000111.9E206 Q207 M208 K213 L214E206-A210 PolarHBondContact O-N 2.93Å; Q207-A210 PolarHBondContact O-N 3.09Å; M208-A210 VanDerWaalsContact C-N 3.3Å; M208-A210 PolarHBondContact O-N 3.43Å; A210-K213 PolarHBondContact O-N 3.48Å; A210-L214 PolarHBondContact O-N 3.36Å; A210-L214 VanDerWaalsContact O-N 3.12Å
211D94.5Very high94.6Very high65 Ų6588.7 Ų88.735%0.34842%0.416SS..Hα-helixtrans-64.9-47.5178.1-176.721.5000111.8Q207 M208 K213 L214 R215Q207-D211 PolarHBondContact O-N 2.86Å; Q207-D211 VanDerWaalsContact O-N 3.08Å; M208-D211 PolarHBondContact O-N 3.15Å; D211-K213 VanDerWaalsContact C-N 3.32Å; D211-K213 PolarHBondContact O-N 3.37Å; D211-L214 WeakPolarHBondContact O-CB 3.35Å; D211-L214 PolarHBondContact O-N 2.75Å; D211-L214 VanDerWaalsContact O-N 3.16Å; D211-R215 VanDerWaalsContact CG-NE 3.31Å; D211-R215 VanDerWaalsContact O-CG 3.3Å; D211-R215 WeakPolarHBondContact O-CG 3.28Å; D211-R215 PolarHBondContact O-N 3.35Å; D211-R215 IonicContact OD1-CZ 3.87Å; D211-R215 IonicContact OD1-NE 2.64Å; D211-R215 PolarHBondContact OD1-NE 3.32Å; D211-R215 IonicContact OD1-NH2 3.08Å; D211-R215 IonicContact OD2-CZ 3.8Å; D211-R215 IonicContact OD2-NE 3.02Å; D211-R215 PolarHBondContact OD2-NE 3.35Å; D211-R215 VanDerWaalsContact OD2-NE 3.09Å; D211-R215 IonicContact OD2-NH2 3.77Å; D211-R215 PolarHBondContact OD2-NH2 3.3Å
212Y94.8Very high94.7Very high116 Ų11695.1 Ų95.146%0.45544%0.437SS..Hα-helixtrans-66.1-31.9178.1-82.5-75000113.4M208 R215 R216M208-Y212 HydrophobicContact CB-CD2 4.38Å; M208-Y212 WeakPolarHBondContact O-CB 3.04Å; M208-Y212 VanDerWaalsContact O-CD2 3.25Å; M208-Y212 WeakPolarHBondContact O-CD2 3.5Å; M208-Y212 PolarHBondContact O-N 2.97Å; Y212-R215 PolarHBondContact O-N 3.32Å; Y212-R216 WeakPolarHBondContact O-CB 3.42Å; Y212-R216 WeakPolarHBondContact O-CG 3.12Å; Y212-R216 PolarHBondContact O-N 2.93Å
213K94.9Very high94.8Very high82 Ų8295.6 Ų95.636%0.35744%0.436SS..Hα-helixtrans-60.5-50.1170.4179.8-177.3175.9-177.70110.5R209 A210 D211 R215 R216 E217R209-K213 WeakPolarHBondContact O-CB 3.42Å; R209-K213 PolarHBondContact O-N 3.5Å; A210-K213 PolarHBondContact O-N 3.48Å; D211-K213 VanDerWaalsContact C-N 3.32Å; D211-K213 PolarHBondContact O-N 3.37Å; K213-R215 VanDerWaalsContact C-N 3.34Å; K213-R215 PolarHBondContact O-N 3.03Å; K213-R216 PolarHBondContact O-N 2.7Å; K213-E217 WeakPolarHBondContact CE-OE1 3.44Å; K213-E217 WeakPolarHBondContact O-CG 3.23Å; K213-E217 PolarHBondContact O-N 2.92Å
214L95.6Very high94.8Very high110 Ų11091 Ų9158%0.57642%0.421SS*.Hα-helixtrans-59.6-44.317717962.6000111.7A210 D211 R216 E217 M218A210-L214 PolarHBondContact O-N 3.36Å; A210-L214 VanDerWaalsContact O-N 3.12Å; D211-L214 WeakPolarHBondContact O-CB 3.35Å; D211-L214 PolarHBondContact O-N 2.75Å; D211-L214 VanDerWaalsContact O-N 3.16Å; L214-R216 PolarHBondContact O-N 2.94Å; L214-E217 PolarHBondContact O-N 2.92Å; L214-M218 WeakPolarHBondContact O-CB 3.49Å; L214-M218 PolarHBondContact O-N 3.37Å
215R95.8Very high94.9Very high111 Ų11189.9 Ų89.942%0.41942%0.42SS..Hα-helixtrans-60.6-42.3176.6-68.3172.6-171.1-160.6-0.3112.1D211 Y212 K213 M218 L219D211-R215 VanDerWaalsContact CG-NE 3.31Å; D211-R215 VanDerWaalsContact O-CG 3.3Å; D211-R215 WeakPolarHBondContact O-CG 3.28Å; D211-R215 PolarHBondContact O-N 3.35Å; D211-R215 IonicContact OD1-CZ 3.87Å; D211-R215 IonicContact OD1-NE 2.64Å; D211-R215 PolarHBondContact OD1-NE 3.32Å; D211-R215 IonicContact OD1-NH2 3.08Å; D211-R215 IonicContact OD2-CZ 3.8Å; D211-R215 IonicContact OD2-NE 3.02Å; D211-R215 PolarHBondContact OD2-NE 3.35Å; D211-R215 VanDerWaalsContact OD2-NE 3.09Å; D211-R215 IonicContact OD2-NH2 3.77Å; D211-R215 PolarHBondContact OD2-NH2 3.3Å; Y212-R215 PolarHBondContact O-N 3.32Å; K213-R215 VanDerWaalsContact C-N 3.34Å; K213-R215 PolarHBondContact O-N 3.03Å; R215-M218 PolarHBondContact O-N 3.47Å; R215-L219 WeakPolarHBondContact O-CB 3.18Å; R215-L219 WeakPolarHBondContact O-CG 3.45Å; R215-L219 PolarHBondContact O-N 3.42Å
216R95.1Very high94.9Very high97 Ų9791.8 Ų91.837%0.36643%0.433SS..Hα-helixtrans-64.3-44.7176.1-78-178.5178.1-146-2111.7Y212 K213 L214 L219 N220 E257Y212-R216 WeakPolarHBondContact O-CB 3.42Å; Y212-R216 WeakPolarHBondContact O-CG 3.12Å; Y212-R216 PolarHBondContact O-N 2.93Å; K213-R216 PolarHBondContact O-N 2.7Å; L214-R216 PolarHBondContact O-N 2.94Å; R216-L219 PolarHBondContact O-N 3.43Å; R216-N220 VanDerWaalsContact O-CB 3.25Å; R216-N220 WeakPolarHBondContact O-CB 3.4Å; R216-N220 PolarHBondContact O-N 3.45Å; R216-N220 PolarHBondContact O-ND2 2.79Å; R216-E257 PolarHBondContact NH1-O 2.62Å; R216-E257 VanDerWaalsContact NH1-O 3.13Å
217E95Very high94.9Very high78 Ų7887.2 Ų87.236%0.36441%0.412SS..Hα-helixtrans-60.4-45.1176-72.5177.2179.200111.5K213 L214 N220 K221 R256K213-E217 WeakPolarHBondContact CE-OE1 3.44Å; K213-E217 WeakPolarHBondContact O-CG 3.23Å; K213-E217 PolarHBondContact O-N 2.92Å; L214-E217 PolarHBondContact O-N 2.92Å; E217-N220 PolarHBondContact O-N 3.46Å; E217-K221 WeakPolarHBondContact O-CB 3.28Å; E217-K221 PolarHBondContact O-N 2.97Å; E217-R256 HydrophobicContact CG-CB 4.06Å
218M96.9Very high94.7Very high103 Ų10383 Ų8351%0.50740%0.398SS..Hα-helixtrans-61.5-47.5175.4-177.7-79.6-69.300112L214 R215 N220 K221 R222L214-M218 WeakPolarHBondContact O-CB 3.49Å; L214-M218 PolarHBondContact O-N 3.37Å; R215-M218 PolarHBondContact O-N 3.47Å; M218-N220 PolarHBondContact O-N 3.31Å; M218-K221 PolarHBondContact O-N 3.41Å; M218-R222 WeakPolarHBondContact O-CB 3.36Å; M218-R222 PolarHBondContact O-N 3.05Å
219L95.8Very high94.7Very high93 Ų9381 Ų8149%0.48739%0.393SS..Hα-helixtrans-63.3-42.5178.7-76.9171.7000112R215 R216 K221 R222 F223R215-L219 WeakPolarHBondContact O-CB 3.18Å; R215-L219 WeakPolarHBondContact O-CG 3.45Å; R215-L219 PolarHBondContact O-N 3.42Å; R216-L219 PolarHBondContact O-N 3.43Å; L219-K221 VanDerWaalsContact C-N 3.34Å; L219-R222 WeakPolarHBondContact O-CB 3.22Å; L219-R222 PolarHBondContact O-N 3.03Å; L219-F223 WeakPolarHBondContact O-CB 3.4Å; L219-F223 PolarHBondContact O-N 3.28Å
220N95.5Very high94.6Very high20 Ų2082.4 Ų82.411%0.10740%0.402CS..Hα-helixtrans-61.2-44.1174.5-77.5-24.3000111.1R216 E217 M218 F223 D224R216-N220 VanDerWaalsContact O-CB 3.25Å; R216-N220 WeakPolarHBondContact O-CB 3.4Å; R216-N220 PolarHBondContact O-N 3.45Å; R216-N220 PolarHBondContact O-ND2 2.79Å; E217-N220 PolarHBondContact O-N 3.46Å; M218-N220 PolarHBondContact O-N 3.31Å; N220-F223 WeakPolarHBondContact O-CB 3.47Å; N220-F223 PolarHBondContact O-N 3.13Å; N220-D224 VanDerWaalsContact O-CG 3.32Å; N220-D224 PolarHBondContact O-N 2.96Å; N220-D224 VanDerWaalsContact O-OD2 3.14Å
221K95.7Very high94.4Very high130 Ų13080.5 Ų80.557%0.56538%0.382SS*.Hα-helixtrans-66.3-40176.8-174.162.5-176.4179.10112.1E217 M218 L219 F223 D224 V225E217-K221 WeakPolarHBondContact O-CB 3.28Å; E217-K221 PolarHBondContact O-N 2.97Å; M218-K221 PolarHBondContact O-N 3.41Å; L219-K221 VanDerWaalsContact C-N 3.34Å; K221-F223 VanDerWaalsContact C-N 3.27Å; K221-F223 PolarHBondContact O-N 3.27Å; K221-D224 WeakPolarHBondContact O-CB 3.37Å; K221-D224 PolarHBondContact O-N 3.01Å; K221-V225 WeakPolarHBondContact O-CG2 3.5Å; K221-V225 PolarHBondContact O-N 3.36Å
222R96.3Very high94.2Very high166 Ų16687.4 Ų87.463%0.62640%0.404SS*.Hα-helixtrans-59.7-40.8173.2179.7-179.7174.4-174-0.6110.8M218 L219 V225 T226M218-R222 WeakPolarHBondContact O-CB 3.36Å; M218-R222 PolarHBondContact O-N 3.05Å; L219-R222 WeakPolarHBondContact O-CB 3.22Å; L219-R222 PolarHBondContact O-N 3.03Å; R222-V225 PolarHBondContact O-N 3.32Å; R222-T226 WeakPolarHBondContact O-CB 3.33Å; R222-T226 PolarHBondContact O-N 2.69Å; R222-T226 PolarHBondContact O-OG1 3.43Å
223F94.7Very high93.9Very high76 Ų7684.1 Ų84.133%0.33340%0.398SS..Hα-helixtrans-63.1-47174.8-175.3-137.7000111.3L219 N220 K221 V225 T226 I227 Y247 L254L219-F223 WeakPolarHBondContact O-CB 3.4Å; L219-F223 PolarHBondContact O-N 3.28Å; N220-F223 WeakPolarHBondContact O-CB 3.47Å; N220-F223 PolarHBondContact O-N 3.13Å; K221-F223 VanDerWaalsContact C-N 3.27Å; K221-F223 PolarHBondContact O-N 3.27Å; F223-V225 VanDerWaalsContact C-N 3.34Å; F223-V225 PolarHBondContact O-N 2.78Å; F223-T226 PolarHBondContact O-N 2.75Å; F223-T226 VanDerWaalsContact O-N 3.13Å; F223-I227 HydrophobicContact CD2-CG1 4.27Å; F223-I227 HydrophobicContact CE2-CD1 4.05Å; F223-I227 HydrophobicContact CE2-CG1 4Å; F223-I227 HydrophobicContact CZ-CG1 4.44Å; F223-I227 PolarHBondContact O-N 3.16Å; F223-Y247 AromaticContact CD1-CE2 3.78Å; F223-Y247 HydrophobicContact CD1-CE2 3.78Å; F223-Y247 HydrophobicContact CE1-CD2 4.15Å; F223-Y247 AromaticContact CE1-CE2 3.38Å; F223-Y247 HydrophobicContact CE1-CE2 3.38Å; F223-Y247 HydrophobicContact CE2-CE2 4.34Å; F223-Y247 HydrophobicContact CG-CE2 4.43Å; F223-Y247 HydrophobicContact CZ-CD2 4.16Å; F223-Y247 AromaticContact CZ-CE2 3.69Å; F223-Y247 HydrophobicContact CZ-CE2 3.69Å; F223-L254 HydrophobicContact CD1-CD1 3.9Å; F223-L254 HydrophobicContact CE1-CD1 4Å
224D94.7Very high93.7Very high32 Ų3286.2 Ų86.217%0.17141%0.413CS..Hα-helixtrans-54.4-47.7174.5-65.5-47.8000111.7N220 K221 T226 I227 S228 Y247 R251N220-D224 VanDerWaalsContact O-CG 3.32Å; N220-D224 PolarHBondContact O-N 2.96Å; N220-D224 VanDerWaalsContact O-OD2 3.14Å; K221-D224 WeakPolarHBondContact O-CB 3.37Å; K221-D224 PolarHBondContact O-N 3.01Å; D224-T226 VanDerWaalsContact C-N 3.35Å; D224-T226 PolarHBondContact O-N 2.72Å; D224-I227 PolarHBondContact O-N 2.93Å; D224-S228 WeakPolarHBondContact O-CB 3.05Å; D224-S228 PolarHBondContact O-N 3.11Å; D224-S228 PolarHBondContact O-OG 3.3Å; D224-Y247 VanDerWaalsContact CA-OH 3.31Å; D224-Y247 WeakPolarHBondContact CA-OH 3.48Å; D224-Y247 PolarHBondContact N-OH 2.91Å; D224-Y247 PolarHBondContact OD1-OH 2.8Å; D224-R251 WeakPolarHBondContact OD1-CD 3.38Å; D224-R251 IonicContact OD1-CZ 2.99Å; D224-R251 IonicContact OD1-NE 2.75Å; D224-R251 PolarHBondContact OD1-NE 3.08Å; D224-R251 IonicContact OD1-NH2 3.84Å; D224-R251 IonicContact OD2-CZ 2.93Å; D224-R251 IonicContact OD2-NE 2.79Å; D224-R251 PolarHBondContact OD2-NE 2.9Å; D224-R251 IonicContact OD2-NH2 2.7Å; D224-R251 PolarHBondContact OD2-NH2 2.73Å
225V96Very high93.4Very high79 Ų7991.1 Ų91.148%0.47942%0.424SS..Hα-helixtrans-67.9-34.7179.8174.50000111.7K221 R222 F223 S228 S229K221-V225 WeakPolarHBondContact O-CG2 3.5Å; K221-V225 PolarHBondContact O-N 3.36Å; R222-V225 PolarHBondContact O-N 3.32Å; F223-V225 VanDerWaalsContact C-N 3.34Å; F223-V225 PolarHBondContact O-N 2.78Å; V225-S228 PolarHBondContact O-N 3.2Å; V225-S229 PolarHBondContact O-N 2.94Å
226T93.6Very high93Very high59 Ų5987.4 Ų87.436%0.36241%0.413SS..Hα-helixtrans-67.8-39.2177.1-56.10000111.5R222 F223 D224 S229 F230R222-T226 WeakPolarHBondContact O-CB 3.33Å; R222-T226 PolarHBondContact O-N 2.69Å; R222-T226 PolarHBondContact O-OG1 3.43Å; F223-T226 PolarHBondContact O-N 2.75Å; F223-T226 VanDerWaalsContact O-N 3.13Å; D224-T226 VanDerWaalsContact C-N 3.35Å; D224-T226 PolarHBondContact O-N 2.72Å; T226-S229 PolarHBondContact O-OG 2.89Å; T226-F230 HydrophobicContact CG2-CE2 4.12Å; T226-F230 VanDerWaalsContact O-CD2 3.25Å; T226-F230 WeakPolarHBondContact O-CD2 3.17Å
227I92.4Very high92.7Very high27 Ų2788.8 Ų88.814%0.13842%0.422CS..Hα-helixtrans-69.3-40.6173.9-63.3-56.5000110.9F223 D224 S229 F230 L231 V243 Y247F223-I227 HydrophobicContact CD2-CG1 4.27Å; F223-I227 HydrophobicContact CE2-CD1 4.05Å; F223-I227 HydrophobicContact CE2-CG1 4Å; F223-I227 HydrophobicContact CZ-CG1 4.44Å; F223-I227 PolarHBondContact O-N 3.16Å; D224-I227 PolarHBondContact O-N 2.93Å; I227-S229 VanDerWaalsContact C-N 3.29Å; I227-S229 PolarHBondContact O-N 3.41Å; I227-F230 HydrophobicContact CD1-CD2 4.24Å; I227-F230 HydrophobicContact CD1-CE2 4.46Å; I227-F230 PolarHBondContact O-N 2.87Å; I227-F230 VanDerWaalsContact O-N 3.17Å; I227-L231 PolarHBondContact O-N 3.4Å; I227-V243 HydrophobicContact CG2-CG1 4.11Å; I227-Y247 HydrophobicContact CB-CD2 4.42Å; I227-Y247 HydrophobicContact CB-CE2 4.24Å; I227-Y247 HydrophobicContact CG1-CD2 3.78Å; I227-Y247 HydrophobicContact CG1-CE2 3.57Å; I227-Y247 HydrophobicContact CG2-CD1 4.42Å; I227-Y247 HydrophobicContact CG2-CD2 4.24Å; I227-Y247 HydrophobicContact CG2-CG 4.18Å
228S92.2Very high92.5Very high53 Ų5394.2 Ų94.237%0.37144%0.444SS..Hα-helixtrans-59.7-38.2176.9-570000112.2D224 V225 F230 L231 W232D224-S228 WeakPolarHBondContact O-CB 3.05Å; D224-S228 PolarHBondContact O-N 3.11Å; D224-S228 PolarHBondContact O-OG 3.3Å; V225-S228 PolarHBondContact O-N 3.2Å; S228-F230 VanDerWaalsContact C-N 3.32Å; S228-F230 PolarHBondContact O-N 3.28Å; S228-L231 WeakPolarHBondContact O-CB 3.47Å; S228-L231 PolarHBondContact O-N 3.29Å; S228-L231 VanDerWaalsContact O-N 3.13Å; S228-W232 PolarHBondContact O-NE1 3.41Å
229S93.7Very high92.3Very high51 Ų5195.6 Ų95.636%0.35745%0.448SS..Hα-helixtrans-67.4-29.7178.772.40000113.1V225 T226 I227 L231 W232V225-S229 PolarHBondContact O-N 2.94Å; T226-S229 PolarHBondContact O-OG 2.89Å; I227-S229 VanDerWaalsContact C-N 3.29Å; I227-S229 PolarHBondContact O-N 3.41Å; S229-L231 VanDerWaalsContact C-N 3.29Å; S229-L231 PolarHBondContact O-N 3.31Å; S229-W232 WeakPolarHBondContact O-CB 3.39Å; S229-W232 PolarHBondContact O-N 3.16Å
230F89.8Confident92.1Very high119 Ų11995.1 Ų95.152%0.52244%0.443SS..Hα-helixtrans-65.6-33.7172-68.2-54.1000112.2T226 I227 S228 W232 S233 V236T226-F230 HydrophobicContact CG2-CE2 4.12Å; T226-F230 VanDerWaalsContact O-CD2 3.25Å; T226-F230 WeakPolarHBondContact O-CD2 3.17Å; I227-F230 HydrophobicContact CD1-CD2 4.24Å; I227-F230 HydrophobicContact CD1-CE2 4.46Å; I227-F230 PolarHBondContact O-N 2.87Å; I227-F230 VanDerWaalsContact O-N 3.17Å; S228-F230 VanDerWaalsContact C-N 3.32Å; S228-F230 PolarHBondContact O-N 3.28Å; F230-W232 PolarHBondContact O-N 3.4Å; F230-S233 PolarHBondContact O-N 3.25Å; F230-S233 PolarHBondContact O-OG 2.9Å; F230-V236 WeakPolarHBondContact O-CB 3.36Å
231L90Very high91.9Very high23 Ų23100.3 Ų100.312%0.1247%0.471CS..Hα-helixtrans-69.1-14.6177.4-59.3177.7000113.1I227 S228 S229 S233 V236 E240 V243 M244I227-L231 PolarHBondContact O-N 3.4Å; S228-L231 WeakPolarHBondContact O-CB 3.47Å; S228-L231 PolarHBondContact O-N 3.29Å; S228-L231 VanDerWaalsContact O-N 3.13Å; S229-L231 VanDerWaalsContact C-N 3.29Å; S229-L231 PolarHBondContact O-N 3.31Å; L231-S233 PolarHBondContact O-N 2.88Å; L231-V236 HydrophobicContact CD2-CG1 4.14Å; L231-E240 HydrophobicContact CD1-CG 4.12Å; L231-E240 HydrophobicContact CD2-CB 4.02Å; L231-E240 HydrophobicContact CD2-CG 3.91Å; L231-V243 HydrophobicContact CD2-CB 4.42Å; L231-V243 HydrophobicContact CD2-CG1 4.39Å; L231-M244 HydrophobicContact CD1-SD 4.43Å
232W89.5Confident91.8Very high211 Ų21197.8 Ų97.880%0.79946%0.463SS*.THydrogen-bonded Turntrans-73.9-14.3175.4-60.5-2.8000113S228 S229 F230S228-W232 PolarHBondContact O-NE1 3.41Å; S229-W232 WeakPolarHBondContact O-CB 3.39Å; S229-W232 PolarHBondContact O-N 3.16Å; F230-W232 PolarHBondContact O-N 3.4Å
233S89Confident91.6Very high46 Ų4692 Ų9232%0.32245%0.446SS..SBendtrans-81.7132173.970.20000111.4F230 L231 R235 V236 K237F230-S233 PolarHBondContact O-N 3.25Å; F230-S233 PolarHBondContact O-OG 2.9Å; L231-S233 PolarHBondContact O-N 2.88Å; S233-R235 PolarHBondContact O-N 3.18Å; S233-R235 VanDerWaalsContact O-N 3.08Å; S233-V236 PolarHBondContact O-N 3.43Å; S233-V236 WeakPolarHBondContact OG-CB 3.09Å; S233-V236 VanDerWaalsContact OG-CG2 3.23Å; S233-V236 WeakPolarHBondContact OG-CG2 3.46Å; S233-V236 PolarHBondContact OG-N 3.32Å; S233-K237 WeakPolarHBondContact O-CB 3.39Å; S233-K237 PolarHBondContact O-N 3.31Å
234D90.2Very high91.5Very high126 Ų12690.9 Ų90.967%0.67444%0.442SS*.Hα-helixtrans-56.4-31.6179.7-65.4-44.8000113.1
235R88.9Confident91.5Very high213 Ų21397.4 Ų97.480%0.80447%0.465SS*.Hα-helixtrans-65.9-39.8178.5-172.1177.368.8-169-0.6112.6S233S233-R235 PolarHBondContact O-N 3.18Å; S233-R235 VanDerWaalsContact O-N 3.08Å
236V88.2Confident91.3Very high33 Ų3399.6 Ų99.620%0.247%0.473CS..Hα-helixtrans-92-29.3-176.8-177.80000111F230 L231 S233 K238 K239 E240 V243F230-V236 WeakPolarHBondContact O-CB 3.36Å; L231-V236 HydrophobicContact CD2-CG1 4.14Å; S233-V236 PolarHBondContact O-N 3.43Å; S233-V236 WeakPolarHBondContact OG-CB 3.09Å; S233-V236 VanDerWaalsContact OG-CG2 3.23Å; S233-V236 WeakPolarHBondContact OG-CG2 3.46Å; S233-V236 PolarHBondContact OG-N 3.32Å; V236-K238 PolarHBondContact O-N 2.89Å; V236-K239 CarbonylContact O-C 3.55Å; V236-K239 VanDerWaalsContact O-C 3.31Å; V236-K239 WeakPolarHBondContact O-CA 3.45Å; V236-K239 PolarHBondContact O-N 3.36Å; V236-E240 PolarHBondContact O-N 3.31Å; V236-E240 VanDerWaalsContact O-N 3.15Å; V236-V243 HydrophobicContact CG1-CG2 3.99Å
237K89Confident91.3Very high127 Ų12797.9 Ų97.955%0.55246%0.46SS*.Hα-helixtrans-52.1-39.6175-165.8177.1-176.5179.80112.5S233 K239 E240S233-K237 WeakPolarHBondContact O-CB 3.39Å; S233-K237 PolarHBondContact O-N 3.31Å; K237-K239 PolarHBondContact O-N 3Å; K237-E240 WeakPolarHBondContact O-CB 3.05Å; K237-E240 PolarHBondContact O-N 3.49Å
238K90.7Very high91.4Very high191 Ų191103 Ų10383%0.8348%0.481SS*.THydrogen-bonded Turntrans-63-21.2174.1-66.6179.5-178.1-177.30114.4V236V236-K238 PolarHBondContact O-N 2.89Å
239K91.5Very high91.5Very high133 Ų133103.6 Ų103.658%0.57848%0.484SS*.THydrogen-bonded Turntrans-113.919-179-62.2-170.2176-169.50112.6V236 K237 N241 D242 V243V236-K239 CarbonylContact O-C 3.55Å; V236-K239 VanDerWaalsContact O-C 3.31Å; V236-K239 WeakPolarHBondContact O-CA 3.45Å; V236-K239 PolarHBondContact O-N 3.36Å; K237-K239 PolarHBondContact O-N 3Å; K239-N241 VanDerWaalsContact C-N 3.25Å; K239-N241 PolarHBondContact O-N 2.97Å; K239-D242 PolarHBondContact O-N 2.88Å; K239-D242 VanDerWaalsContact O-N 3.08Å; K239-V243 PolarHBondContact O-N 2.9Å; K239-V243 VanDerWaalsContact O-N 3.15Å
240E91.5Very high91.6Very high82 Ų82105.9 Ų105.938%0.38349%0.492SS..Hα-helixtrans-53.4-43.6-178.8176.9175.517700112.1L231 V236 K237 D242 V243 M244L231-E240 HydrophobicContact CD1-CG 4.12Å; L231-E240 HydrophobicContact CD2-CB 4.02Å; L231-E240 HydrophobicContact CD2-CG 3.91Å; V236-E240 PolarHBondContact O-N 3.31Å; V236-E240 VanDerWaalsContact O-N 3.15Å; K237-E240 WeakPolarHBondContact O-CB 3.05Å; K237-E240 PolarHBondContact O-N 3.49Å; E240-D242 VanDerWaalsContact C-N 3.29Å; E240-D242 PolarHBondContact O-N 3.23Å; E240-V243 PolarHBondContact O-N 2.91Å; E240-M244 HydrophobicContact CG-CG 4.08Å; E240-M244 WeakPolarHBondContact O-CB 3.36Å; E240-M244 WeakPolarHBondContact O-CG 3.43Å; E240-M244 PolarHBondContact O-N 3.39Å
241N91.8Very high91.8Very high130 Ų130103.3 Ų103.370%0.69548%0.479SS*.Hα-helixtrans-57.6-40.2179.1-69.6-27.1000112.7K239 R245K239-N241 VanDerWaalsContact C-N 3.25Å; K239-N241 PolarHBondContact O-N 2.97Å; N241-R245 VanDerWaalsContact O-CB 3.28Å; N241-R245 WeakPolarHBondContact O-CB 3.34Å; N241-R245 PolarHBondContact O-N 3.01Å
242D93.4Very high91.9Very high77 Ų77106.8 Ų106.841%0.41251%0.505SS..Hα-helixtrans-71.7-40179.2-63.4-30.6000111.2K239 E240 R245 L246K239-D242 PolarHBondContact O-N 2.88Å; K239-D242 VanDerWaalsContact O-N 3.08Å; E240-D242 VanDerWaalsContact C-N 3.29Å; E240-D242 PolarHBondContact O-N 3.23Å; D242-R245 PolarHBondContact O-N 3.4Å; D242-R245 IonicContact OD1-CZ 3.12Å; D242-R245 IonicContact OD1-NH1 2.78Å; D242-R245 IonicContact OD1-NH2 3.57Å; D242-R245 PolarHBondContact OD1-NH2 2.82Å; D242-L246 PolarHBondContact O-N 2.94Å
243V92.5Very high92.1Very high43 Ų43103.4 Ų103.426%0.26150%0.498SS..Hα-helixtrans-62.5-48.5175.5176.40000110.4I227 L231 V236 K239 E240 R245 L246 Y247I227-V243 HydrophobicContact CG2-CG1 4.11Å; L231-V243 HydrophobicContact CD2-CB 4.42Å; L231-V243 HydrophobicContact CD2-CG1 4.39Å; V236-V243 HydrophobicContact CG1-CG2 3.99Å; K239-V243 PolarHBondContact O-N 2.9Å; K239-V243 VanDerWaalsContact O-N 3.15Å; E240-V243 PolarHBondContact O-N 2.91Å; V243-R245 VanDerWaalsContact C-N 3.32Å; V243-R245 PolarHBondContact O-N 3.32Å; V243-L246 PolarHBondContact O-N 2.96Å; V243-Y247 VanDerWaalsContact O-CB 3.25Å; V243-Y247 WeakPolarHBondContact O-CB 3.35Å; V243-Y247 PolarHBondContact O-N 3.39Å
244M93.1Very high92.2Very high53 Ų53104.9 Ų104.926%0.26150%0.502SS..Hα-helixtrans-68.1-31.7-178.3-67.8-57.7-79.200112.5L231 E240 L246 Y247 K248L231-M244 HydrophobicContact CD1-SD 4.43Å; E240-M244 HydrophobicContact CG-CG 4.08Å; E240-M244 WeakPolarHBondContact O-CB 3.36Å; E240-M244 WeakPolarHBondContact O-CG 3.43Å; E240-M244 PolarHBondContact O-N 3.39Å; M244-L246 VanDerWaalsContact C-N 3.31Å; M244-L246 PolarHBondContact O-N 3.33Å; M244-Y247 HydrophobicContact CE-CD1 4.39Å; M244-Y247 PolarHBondContact O-N 3.11Å; M244-Y247 HydrophobicContact SD-CD1 4.15Å; M244-K248 HydrophobicContact CE-CG 4.32Å; M244-K248 WeakPolarHBondContact O-CB 3.44Å; M244-K248 WeakPolarHBondContact O-CG 3.45Å; M244-K248 PolarHBondContact O-N 2.9Å
245R94.7Very high92.1Very high169 Ų169106.9 Ų106.964%0.63850%0.5SS*.Hα-helixtrans-60.1-40.4172.8-171.3-173.4-52.3156.316.4112N241 D242 V243 P249N241-R245 VanDerWaalsContact O-CB 3.28Å; N241-R245 WeakPolarHBondContact O-CB 3.34Å; N241-R245 PolarHBondContact O-N 3.01Å; D242-R245 PolarHBondContact O-N 3.4Å; D242-R245 IonicContact OD1-CZ 3.12Å; D242-R245 IonicContact OD1-NH1 2.78Å; D242-R245 IonicContact OD1-NH2 3.57Å; D242-R245 PolarHBondContact OD1-NH2 2.82Å; V243-R245 VanDerWaalsContact C-N 3.32Å; V243-R245 PolarHBondContact O-N 3.32Å; R245-P249 WeakPolarHBondContact O-CD 3.48Å; R245-P249 WeakPolarHBondContact O-CG 3.48Å
246L92.7Very high92.1Very high125 Ų125103.7 Ų103.765%0.65449%0.488SS*.Hα-helixtrans-80.1-36.9177-65.6175000112.3D242 V243 M244 L250D242-L246 PolarHBondContact O-N 2.94Å; V243-L246 PolarHBondContact O-N 2.96Å; M244-L246 VanDerWaalsContact C-N 3.31Å; M244-L246 PolarHBondContact O-N 3.33Å; L246-L250 WeakPolarHBondContact O-CG 3.43Å
247Y93.5Very high92.1Very high23 Ų23106 Ų1069%0.0950%0.497CS..Hα-helixtrans-71.4-49-174.1178.6-113.3000113.3F223 D224 I227 V243 M244 L250 R251F223-Y247 AromaticContact CD1-CE2 3.78Å; F223-Y247 HydrophobicContact CD1-CE2 3.78Å; F223-Y247 HydrophobicContact CE1-CD2 4.15Å; F223-Y247 AromaticContact CE1-CE2 3.38Å; F223-Y247 HydrophobicContact CE1-CE2 3.38Å; F223-Y247 HydrophobicContact CE2-CE2 4.34Å; F223-Y247 HydrophobicContact CG-CE2 4.43Å; F223-Y247 HydrophobicContact CZ-CD2 4.16Å; F223-Y247 AromaticContact CZ-CE2 3.69Å; F223-Y247 HydrophobicContact CZ-CE2 3.69Å; D224-Y247 VanDerWaalsContact CA-OH 3.31Å; D224-Y247 WeakPolarHBondContact CA-OH 3.48Å; D224-Y247 PolarHBondContact N-OH 2.91Å; D224-Y247 PolarHBondContact OD1-OH 2.8Å; I227-Y247 HydrophobicContact CB-CD2 4.42Å; I227-Y247 HydrophobicContact CB-CE2 4.24Å; I227-Y247 HydrophobicContact CG1-CD2 3.78Å; I227-Y247 HydrophobicContact CG1-CE2 3.57Å; I227-Y247 HydrophobicContact CG2-CD1 4.42Å; I227-Y247 HydrophobicContact CG2-CD2 4.24Å; I227-Y247 HydrophobicContact CG2-CG 4.18Å; V243-Y247 VanDerWaalsContact O-CB 3.25Å; V243-Y247 WeakPolarHBondContact O-CB 3.35Å; V243-Y247 PolarHBondContact O-N 3.39Å; M244-Y247 HydrophobicContact CE-CD1 4.39Å; M244-Y247 PolarHBondContact O-N 3.11Å; M244-Y247 HydrophobicContact SD-CD1 4.15Å; Y247-L250 PolarHBondContact O-N 3.28Å; Y247-R251 HydrophobicContact CD1-CB 4.42Å; Y247-R251 HydrophobicContact CE1-CB 3.98Å; Y247-R251 HydrophobicContact CE1-CG 4.01Å; Y247-R251 HydrophobicContact CE2-CB 4.17Å; Y247-R251 WeakPolarHBondContact O-CB 3.39Å; Y247-R251 PolarHBondContact O-N 3.43Å; Y247-R251 WeakPolarHBondContact OH-CD 3.17Å
248K93.5Very high91.9Very high134 Ų134100.7 Ų100.758%0.58348%0.476SS*.Hα-helixtrans-57.1-46.8-172.2-74.6-177.2178.3-175.80113.4M244 L250 R251 S252M244-K248 HydrophobicContact CE-CG 4.32Å; M244-K248 WeakPolarHBondContact O-CB 3.44Å; M244-K248 WeakPolarHBondContact O-CG 3.45Å; M244-K248 PolarHBondContact O-N 2.9Å; K248-L250 PolarHBondContact O-N 2.83Å; K248-R251 PolarHBondContact O-N 3.18Å; K248-S252 PolarHBondContact O-N 2.97Å; K248-S252 PolarHBondContact O-OG 3.02Å
249P95.1Very high91.6Very high66 Ų6697.8 Ų97.843%0.42947%0.465SS..Hα-helixtrans-62.8-42.4179.6-22.634.4000112.7R245 R251 S252 Q253R245-P249 WeakPolarHBondContact O-CD 3.48Å; R245-P249 WeakPolarHBondContact O-CG 3.48Å; P249-R251 VanDerWaalsContact C-N 3.35Å; P249-S252 WeakPolarHBondContact CA-OG 3.35Å; P249-S252 PolarHBondContact O-N 3.13Å; P249-S252 PolarHBondContact O-OG 3.12Å; P249-Q253 WeakPolarHBondContact O-CG 3.33Å; P249-Q253 PolarHBondContact O-N 2.88Å
250L94.4Very high91.5Very high100 Ų10095.9 Ų95.952%0.52446%0.46SS..Hα-helixtrans-65.6-41.3177.4-64.7175.1000110.9L246 Y247 K248 S252 Q253L246-L250 WeakPolarHBondContact O-CG 3.43Å; Y247-L250 PolarHBondContact O-N 3.28Å; K248-L250 PolarHBondContact O-N 2.83Å; L250-S252 VanDerWaalsContact C-N 3.32Å; L250-S252 PolarHBondContact O-N 3.35Å; L250-Q253 PolarHBondContact O-N 3.09Å
251R93.7Very high91.4Very high64 Ų6494.5 Ų94.524%0.24246%0.457CS..Hα-helixtrans-65.3-34.8179.1-177.556.4178.388.74.5112.7D224 Y247 K248 P249 Q253 L254D224-R251 WeakPolarHBondContact OD1-CD 3.38Å; D224-R251 IonicContact OD1-CZ 2.99Å; D224-R251 IonicContact OD1-NE 2.75Å; D224-R251 PolarHBondContact OD1-NE 3.08Å; D224-R251 IonicContact OD1-NH2 3.84Å; D224-R251 IonicContact OD2-CZ 2.93Å; D224-R251 IonicContact OD2-NE 2.79Å; D224-R251 PolarHBondContact OD2-NE 2.9Å; D224-R251 IonicContact OD2-NH2 2.7Å; D224-R251 PolarHBondContact OD2-NH2 2.73Å; Y247-R251 HydrophobicContact CD1-CB 4.42Å; Y247-R251 HydrophobicContact CE1-CB 3.98Å; Y247-R251 HydrophobicContact CE1-CG 4.01Å; Y247-R251 HydrophobicContact CE2-CB 4.17Å; Y247-R251 WeakPolarHBondContact O-CB 3.39Å; Y247-R251 PolarHBondContact O-N 3.43Å; Y247-R251 WeakPolarHBondContact OH-CD 3.17Å; K248-R251 PolarHBondContact O-N 3.18Å; P249-R251 VanDerWaalsContact C-N 3.35Å; R251-Q253 VanDerWaalsContact C-N 3.3Å; R251-Q253 PolarHBondContact O-N 3.17Å; R251-L254 PolarHBondContact O-N 3.33Å
252S93Very high91.3Very high97 Ų9789.1 Ų89.168%0.67843%0.429SS*.Hα-helixtrans-69.4-24.4175.548.90000113.8K248 P249 L250 L254K248-S252 PolarHBondContact O-N 2.97Å; K248-S252 PolarHBondContact O-OG 3.02Å; P249-S252 WeakPolarHBondContact CA-OG 3.35Å; P249-S252 PolarHBondContact O-N 3.13Å; P249-S252 PolarHBondContact O-OG 3.12Å; L250-S252 VanDerWaalsContact C-N 3.32Å; L250-S252 PolarHBondContact O-N 3.35Å; S252-L254 VanDerWaalsContact C-N 3.33Å
253Q93.3Very high91Very high140 Ų14088.6 Ų88.665%0.65444%0.435SS*.Hα-helixtrans-75.5-23175.6-67.9172-2.800112.6P249 L250 R251 R255P249-Q253 WeakPolarHBondContact O-CG 3.33Å; P249-Q253 PolarHBondContact O-N 2.88Å; L250-Q253 PolarHBondContact O-N 3.09Å; R251-Q253 VanDerWaalsContact C-N 3.3Å; R251-Q253 PolarHBondContact O-N 3.17Å; Q253-R255 PolarHBondContact O-N 2.68Å; Q253-R255 VanDerWaalsContact O-N 3.13Å
254L91.8Very high90.9Very high76 Ų7690.4 Ų90.440%0.39844%0.443SS..SBendtrans-76.999.1-179.4-63.4175.6000111.2F223 R251 S252F223-L254 HydrophobicContact CD1-CD1 3.9Å; F223-L254 HydrophobicContact CE1-CD1 4Å; R251-L254 PolarHBondContact O-N 3.33Å; S252-L254 VanDerWaalsContact C-N 3.33Å
255R88.7Confident90.6Very high168 Ų16892.6 Ų92.663%0.63446%0.455SS*.  trans-72.9142.5179.9-57.9-176.2-174.6-168.23112.2Q253 H259Q253-R255 PolarHBondContact O-N 2.68Å; Q253-R255 VanDerWaalsContact O-N 3.13Å; R255-H259 PolarHBondContact NH1-NE2 3.07Å
256R89Confident90.2Very high146 Ų14687.7 Ų87.755%0.55144%0.442SS*.SBendtrans-76.9-36.917265-178.9-174.1-161.5-3.4112.8E217E217-R256 HydrophobicContact CG-CB 4.06Å
257E87.1Confident89.9Confident82 Ų8285.4 Ų85.438%0.38344%0.44SS..SBendtrans-87.6144-176.9-80.1153.3-13700111.2R216R216-E257 PolarHBondContact NH1-O 2.62Å; R216-E257 VanDerWaalsContact NH1-O 3.13Å
258C85.2Confident89.7Confident16 Ų1684.8 Ų84.811%0.10844%0.44CS..  trans-104.2120.3172.256.30000109.7I260C258-I260 PolarHBondContact O-N 2.89Å; C258-I260 VanDerWaalsContact O-N 3.17Å
259H84Confident89.4Confident130 Ų13082.6 Ų82.660%0.60243%0.428SS*.  trans-88.661.6173.4-54.3-72.2000109.7R255R255-H259 PolarHBondContact NH1-NE2 3.07Å
260I89.2Confident88.9Confident92 Ų9281.8 Ų81.847%0.47242%0.42SS..  trans-107.9120172.9-59.8173.3000107R209 C258 D264R209-I260 PolarHBondContact NE-O 3.42Å; R209-I260 PolarHBondContact NH2-O 3.31Å; C258-I260 PolarHBondContact O-N 2.89Å; C258-I260 VanDerWaalsContact O-N 3.17Å; I260-D264 HydrophobicContact CG2-CB 4.33Å
261T89.1Confident88.4Confident53 Ų5382 Ų8233%0.32542%0.422SS..  trans-110169.3-177.967.70000111.2R209 A263 D264 L265R209-T261 VanDerWaalsContact NH2-CA 3.31Å; T261-A263 PolarHBondContact O-N 2.98Å; T261-A263 PolarHBondContact OG1-N 3.47Å; T261-D264 PolarHBondContact N-OD2 2.95Å; T261-D264 WeakPolarHBondContact O-CB 3.24Å; T261-D264 PolarHBondContact O-N 2.88Å; T261-D264 VanDerWaalsContact O-N 3.16Å; T261-D264 PolarHBondContact OG1-N 3.32Å; T261-D264 PolarHBondContact OG1-OD2 2.99Å; T261-L265 PolarHBondContact O-N 3.48Å
262V89.7Confident88Confident18 Ų1884.5 Ų84.511%0.10944%0.439CS..Hα-helixtrans-64.6-28.2172.7-177.80000110.9W198 V201 N202 N205 D264 L265 L266W198-V262 HydrophobicContact CE3-CG1 4.16Å; W198-V262 HydrophobicContact CH2-CG1 4.46Å; W198-V262 HydrophobicContact CZ3-CG1 3.48Å; W198-V262 VanDerWaalsContact CZ3-CG1 3.48Å; V201-V262 HydrophobicContact CG1-CG1 3.96Å; V201-V262 HydrophobicContact CG1-CG2 4.31Å; N202-V262 WeakPolarHBondContact OD1-CG2 3.08Å; N205-V262 HydrophobicContact CB-CG2 4.01Å; V262-D264 VanDerWaalsContact C-N 3.31Å; V262-D264 PolarHBondContact O-N 3.34Å; V262-L265 WeakPolarHBondContact O-CB 3.43Å; V262-L265 PolarHBondContact O-N 3.17Å; V262-L265 VanDerWaalsContact O-N 3.16Å; V262-L266 WeakPolarHBondContact O-CG 3.1Å; V262-L266 PolarHBondContact O-N 3.18Å; V262-L266 VanDerWaalsContact O-N 3.07Å
263A88.8Confident87.5Confident65 Ų6583.2 Ų83.254%0.53744%0.435SS..Hα-helixtrans-61.8-39.6172.500000111.9T261 L265 L266 A267T261-A263 PolarHBondContact O-N 2.98Å; T261-A263 PolarHBondContact OG1-N 3.47Å; A263-L265 VanDerWaalsContact C-N 3.28Å; A263-L265 PolarHBondContact O-N 2.96Å; A263-L266 PolarHBondContact O-N 3.46Å; A263-L266 VanDerWaalsContact O-N 3.17Å; A263-A267 WeakPolarHBondContact O-CB 3.45Å; A263-A267 PolarHBondContact O-N 3.4Å
264D89.2Confident87Confident82 Ų8283.4 Ų83.444%0.43944%0.435SS..Hα-helixtrans-65.4-33.5175.5-56.5-60.4000111.9I260 T261 V262 L266 A268I260-D264 HydrophobicContact CG2-CB 4.33Å; T261-D264 PolarHBondContact N-OD2 2.95Å; T261-D264 WeakPolarHBondContact O-CB 3.24Å; T261-D264 PolarHBondContact O-N 2.88Å; T261-D264 VanDerWaalsContact O-N 3.16Å; T261-D264 PolarHBondContact OG1-N 3.32Å; T261-D264 PolarHBondContact OG1-OD2 2.99Å; V262-D264 VanDerWaalsContact C-N 3.31Å; V262-D264 PolarHBondContact O-N 3.34Å; D264-L266 VanDerWaalsContact C-N 3.35Å; D264-A268 PolarHBondContact O-N 2.94Å; D264-A268 VanDerWaalsContact O-N 3.13Å
265L86.4Confident86.6Confident98 Ų9887.2 Ų87.251%0.51346%0.455SS..Hα-helixtrans-65.9-37.4173.9-178.469.7000111.9V201 T261 V262 A263 A268V201-L265 HydrophobicContact CG1-CD2 4.2Å; T261-L265 PolarHBondContact O-N 3.48Å; V262-L265 WeakPolarHBondContact O-CB 3.43Å; V262-L265 PolarHBondContact O-N 3.17Å; V262-L265 VanDerWaalsContact O-N 3.16Å; A263-L265 VanDerWaalsContact C-N 3.28Å; A263-L265 PolarHBondContact O-N 2.96Å; L265-A268 WeakPolarHBondContact O-CB 3.47Å; L265-A268 PolarHBondContact O-N 3.46Å
266L87Confident86.3Confident67 Ų6784.1 Ų84.135%0.35145%0.448SS..Hα-helixtrans-78.4-32.8179.3-60.6169.8000112.4F189 W198 V262 A263 D264 A268F189-L266 HydrophobicContact CD1-CD2 3.39Å; F189-L266 HydrophobicContact CE1-CD2 3.78Å; F189-L266 HydrophobicContact CG-CD2 4.18Å; W198-L266 HydrophobicContact CH2-CD1 3.5Å; W198-L266 VanDerWaalsContact CH2-CD1 3.5Å; W198-L266 HydrophobicContact CH2-CD2 3.67Å; W198-L266 HydrophobicContact CH2-CG 4.08Å; W198-L266 HydrophobicContact CZ2-CD1 4.45Å; W198-L266 HydrophobicContact CZ3-CD1 4.13Å; W198-L266 HydrophobicContact CZ3-CD2 4.3Å; V262-L266 WeakPolarHBondContact O-CG 3.1Å; V262-L266 PolarHBondContact O-N 3.18Å; V262-L266 VanDerWaalsContact O-N 3.07Å; A263-L266 PolarHBondContact O-N 3.46Å; A263-L266 VanDerWaalsContact O-N 3.17Å; D264-L266 VanDerWaalsContact C-N 3.35Å; L266-A268 PolarHBondContact O-N 3.47Å
267A86.8Confident86Confident76 Ų7684.3 Ų84.363%0.62845%0.452SS*.SBendtrans-74.4-9.1173.100000112.7A263 R269A263-A267 WeakPolarHBondContact O-CB 3.45Å; A263-A267 PolarHBondContact O-N 3.4Å; A267-R269 PolarHBondContact O-N 3.4Å
268A88.4Confident85.5Confident10 Ų1086.1 Ų86.18%0.08347%0.469CS..  trans-61.3132.4-178.300000112.3L188 D264 L265 L266 L272L188-A268 HydrophobicContact CD1-CB 4.23Å; L188-A268 PolarHBondContact N-O 2.9Å; D264-A268 PolarHBondContact O-N 2.94Å; D264-A268 VanDerWaalsContact O-N 3.13Å; L265-A268 WeakPolarHBondContact O-CB 3.47Å; L265-A268 PolarHBondContact O-N 3.46Å; L266-A268 PolarHBondContact O-N 3.47Å; A268-L272 HydrophobicContact CB-CD1 3.62Å
269R87.1Confident85Confident88 Ų8888.4 Ų88.433%0.33249%0.485SS..BIsolated β-bridgetrans-116168.4-178.1-79177.9146.1148.77.7112.3L184 L188 A267 D271 L272L184-R269 WeakPolarHBondContact O-CD 3.46Å; L184-R269 PolarHBondContact O-NE 3.11Å; L188-R269 WeakPolarHBondContact CD1-O 3.36Å; L188-R269 WeakPolarHBondContact CG-O 3.09Å; A267-R269 PolarHBondContact O-N 3.4Å; R269-D271 WeakPolarHBondContact CB-OD1 3.36Å; R269-D271 PolarHBondContact O-N 2.93Å; R269-L272 WeakPolarHBondContact O-CB 3.35Å; R269-L272 PolarHBondContact O-N 3.16Å; R269-L272 VanDerWaalsContact O-N 3.09Å
270N86Confident84.7Confident50 Ų5082.7 Ų82.727%0.26746%0.461SS..G310 helixtrans-58.9-24.9-175.864.4-34.8000114.1G185 Y186 L188 L272 A273G185-N270 WeakPolarHBondContact CA-OD1 3.22Å; Y186-N270 HydrophobicContact CD1-CB 3.93Å; Y186-N270 HydrophobicContact CD2-CB 4.12Å; Y186-N270 HydrophobicContact CE1-CB 3.56Å; Y186-N270 WeakPolarHBondContact CE1-ND2 3.46Å; Y186-N270 HydrophobicContact CE2-CB 3.77Å; Y186-N270 HydrophobicContact CG-CB 4.19Å; Y186-N270 VanDerWaalsContact CZ-CB 3.47Å; Y186-N270 PolarHBondContact N-OD1 2.98Å; Y186-N270 PolarHBondContact O-N 2.72Å; Y186-N270 VanDerWaalsContact O-N 3.15Å; L188-N270 HydrophobicContact CD2-CB 4.43Å; N270-L272 VanDerWaalsContact C-N 3.27Å; N270-L272 PolarHBondContact O-N 3.13Å; N270-A273 WeakPolarHBondContact O-CB 3.17Å; N270-A273 PolarHBondContact O-N 3.42Å; N270-A273 VanDerWaalsContact O-N 3.12Å
271D83.9Confident84.1Confident104 Ų10482 Ų8256%0.55646%0.463SS*.G310 helixtrans-59.3-34.5173.267.4-35.4000112.9R269 A273 H274R269-D271 WeakPolarHBondContact CB-OD1 3.36Å; R269-D271 PolarHBondContact O-N 2.93Å; D271-A273 PolarHBondContact O-N 3.05Å; D271-H274 VanDerWaalsContact O-CB 3.26Å; D271-H274 WeakPolarHBondContact O-CB 3.25Å; D271-H274 PolarHBondContact O-N 3.26Å
272L83.9Confident83.6Confident116 Ų11683 Ų8361%0.60747%0.472SS*.G310 helixtrans-64-20.9175.8-70.1173.8000113.3A268 R269 N270 H274A268-L272 HydrophobicContact CB-CD1 3.62Å; R269-L272 WeakPolarHBondContact O-CB 3.35Å; R269-L272 PolarHBondContact O-N 3.16Å; R269-L272 VanDerWaalsContact O-N 3.09Å; N270-L272 VanDerWaalsContact C-N 3.27Å; N270-L272 PolarHBondContact O-N 3.13Å; L272-H274 VanDerWaalsContact C-N 3.25Å
273A82.8Confident83.2Confident71 Ų7184.7 Ų84.759%0.58748%0.482SS*.G310 helixtrans-77.1-13.2173.100000112.5N270 D271 I275N270-A273 WeakPolarHBondContact O-CB 3.17Å; N270-A273 PolarHBondContact O-N 3.42Å; N270-A273 VanDerWaalsContact O-N 3.12Å; D271-A273 PolarHBondContact O-N 3.05Å; A273-I275 PolarHBondContact O-N 3.26Å; A273-I275 VanDerWaalsContact O-N 3.15Å
274H83.8Confident82.8Confident143 Ų14384.3 Ų84.366%0.66247%0.467SS*.  trans-81.889.9177.5-168.974.5000111.3D271 L272 E276D271-H274 VanDerWaalsContact O-CB 3.26Å; D271-H274 WeakPolarHBondContact O-CB 3.25Å; D271-H274 PolarHBondContact O-N 3.26Å; L272-H274 VanDerWaalsContact C-N 3.25Å; H274-E276 PolarHBondContact O-N 3.39Å
275I82.8Confident82.2Confident156 Ų15683.3 Ų83.380%0.847%0.47SS*.  trans-83.796.7174.8-57171.6000109.4A273 K277A273-I275 PolarHBondContact O-N 3.26Å; A273-I275 VanDerWaalsContact O-N 3.15Å; I275-K277 PolarHBondContact O-N 2.87Å
276E82.7Confident81.9Confident104 Ų10485 Ų8549%0.48649%0.485SS..  trans-72.7126.4171.2-165.7178.8-169.600110.5H274 T278 S282 V283H274-E276 PolarHBondContact O-N 3.39Å; E276-T278 PolarHBondContact O-N 3.49Å; E276-S282 PolarHBondContact OE1-OG 2.59Å; E276-V283 HydrophobicContact CG-CG2 3.8Å; E276-V283 WeakPolarHBondContact OE1-CG2 3.34Å
277K81.4Confident81.5Confident149 Ų14985 Ų8565%0.64849%0.488SS*.  trans-71.4119.2177.7-164.7178.8-168.6-177.10109.4I275 S279 G280I275-K277 PolarHBondContact O-N 2.87Å; K277-S279 VanDerWaalsContact CD-OG 3.26Å; K277-S279 WeakPolarHBondContact CD-OG 3.26Å; K277-S279 WeakPolarHBondContact CE-OG 3.49Å; K277-S279 WeakPolarHBondContact CG-OG 3.04Å; K277-S279 PolarHBondContact O-N 2.95Å; K277-S279 VanDerWaalsContact O-N 3.11Å; K277-G280 WeakPolarHBondContact O-CA 3.48Å; K277-G280 PolarHBondContact O-N 3.42Å
278T76.5Confident81.1Confident120 Ų12088.5 Ų88.574%0.73649%0.489SS*.THydrogen-bonded Turntrans-61-22.6175.955.90000113.8E276 G280E276-T278 PolarHBondContact O-N 3.49Å; T278-G280 VanDerWaalsContact C-N 3.28Å
279S76.2Confident80.8Confident65 Ų6590.7 Ų90.746%0.45550%0.503SS..THydrogen-bonded Turntrans-86.34.4171.586.90000113.7K277K277-S279 VanDerWaalsContact CD-OG 3.26Å; K277-S279 WeakPolarHBondContact CD-OG 3.26Å; K277-S279 WeakPolarHBondContact CE-OG 3.49Å; K277-S279 WeakPolarHBondContact CG-OG 3.04Å; K277-S279 PolarHBondContact O-N 2.95Å; K277-S279 VanDerWaalsContact O-N 3.11Å
280G78.1Confident80.5Confident9 Ų995.8 Ų95.89%0.09353%0.528CS..SBendtrans-66.8150.6-176.700000111.9K277 T278 S282 R284K277-G280 WeakPolarHBondContact O-CA 3.48Å; K277-G280 PolarHBondContact O-N 3.42Å; T278-G280 VanDerWaalsContact C-N 3.28Å; G280-S282 VanDerWaalsContact C-N 3.26Å; G280-S282 PolarHBondContact O-N 3.37Å; G280-R284 VanDerWaalsContact O-CB 3.29Å; G280-R284 WeakPolarHBondContact O-CB 3.44Å; G280-R284 WeakPolarHBondContact O-CG 3.45Å; G280-R284 PolarHBondContact O-N 3.48Å
281P75.9Confident79.9Confident77 Ų77101.7 Ų101.750%0.556%0.558SS.*Hα-helixtrans-57.6-36.9176.5-25.134.7000113.3A285P281-A285 WeakPolarHBondContact O-CB 3.4Å; P281-A285 PolarHBondContact O-N 2.96Å
282S78.5Confident79.6Confident76 Ų7699.6 Ų99.653%0.53155%0.547SS..Hα-helixtrans-58.5-60.8177.449.50000111.6E276 G280 R284 A285E276-S282 PolarHBondContact OE1-OG 2.59Å; G280-S282 VanDerWaalsContact C-N 3.26Å; G280-S282 PolarHBondContact O-N 3.37Å; S282-R284 VanDerWaalsContact C-N 3.29Å; S282-R284 PolarHBondContact O-N 3.25Å; S282-A285 WeakPolarHBondContact O-CB 3.42Å; S282-A285 PolarHBondContact O-N 3.06Å
283V80.5Confident79.4Confident53 Ų53101 Ų10132%0.32155%0.549SS..Hα-helixtrans-59.5-41.7178.9-173.50000110.8E276 A285 T287E276-V283 HydrophobicContact CG-CG2 3.8Å; E276-V283 WeakPolarHBondContact OE1-CG2 3.34Å; V283-A285 PolarHBondContact O-N 3.24Å; V283-T287 WeakPolarHBondContact O-CG2 3.25Å
284R81Confident79Confident56 Ų56104.6 Ų104.621%0.21156%0.557CS.*Hα-helixtrans-75.5-22.9-175.8-70.3-167.673.2-145.65.4114G280 S282 V286 T287 N292 L295G280-R284 VanDerWaalsContact O-CB 3.29Å; G280-R284 WeakPolarHBondContact O-CB 3.44Å; G280-R284 WeakPolarHBondContact O-CG 3.45Å; G280-R284 PolarHBondContact O-N 3.48Å; S282-R284 VanDerWaalsContact C-N 3.29Å; S282-R284 PolarHBondContact O-N 3.25Å; R284-V286 PolarHBondContact O-N 3.27Å; R284-V286 VanDerWaalsContact O-N 3.08Å; R284-T287 VanDerWaalsContact CA-OG1 3.29Å; R284-T287 WeakPolarHBondContact CA-OG1 3.34Å; R284-T287 PolarHBondContact O-N 3.07Å; R284-T287 PolarHBondContact O-OG1 3.46Å; R284-N292 PolarHBondContact NH2-ND2 3.34Å; R284-L295 HydrophobicContact CB-CD2 4.42Å; R284-L295 WeakPolarHBondContact O-CD1 3.38Å; R284-L295 VanDerWaalsContact O-CD2 3.25Å; R284-L295 WeakPolarHBondContact O-CD2 3.35Å
285A76.7Confident78.6Confident62 Ų6299.1 Ų99.151%0.51253%0.532SS..Hα-helixtrans-52.4-35.1-176.600000113P281 S282 V283 L295P281-A285 WeakPolarHBondContact O-CB 3.4Å; P281-A285 PolarHBondContact O-N 2.96Å; S282-A285 WeakPolarHBondContact O-CB 3.42Å; S282-A285 PolarHBondContact O-N 3.06Å; V283-A285 PolarHBondContact O-N 3.24Å; A285-L295 VanDerWaalsContact O-CD1 3.3Å; A285-L295 WeakPolarHBondContact O-CD1 3.47Å
286V79.4Confident78Confident134 Ų13495.8 Ų95.881%0.81252%0.515SS*.THydrogen-bonded Turntrans-97.4-6.4-177.8-168.70000112.8R284 K288R284-V286 PolarHBondContact O-N 3.27Å; R284-V286 VanDerWaalsContact O-N 3.08Å; V286-K288 VanDerWaalsContact C-N 3.31Å; V286-K288 PolarHBondContact O-N 2.76Å
287T79.3Confident77.2Confident67 Ų6798.9 Ų98.941%0.41153%0.53SS..  trans-89.214.6-174.263.80000114.8V283 R284 S289V283-T287 WeakPolarHBondContact O-CG2 3.25Å; R284-T287 VanDerWaalsContact CA-OG1 3.29Å; R284-T287 WeakPolarHBondContact CA-OG1 3.34Å; R284-T287 PolarHBondContact O-N 3.07Å; R284-T287 PolarHBondContact O-OG1 3.46Å; T287-S289 PolarHBondContact O-N 3.03Å
288K79.2Confident76.7Confident149 Ų14993.9 Ų93.965%0.64852%0.521SS*.  trans-62.1123.5175.3-170.5179180-178.90109V286 L295V286-K288 VanDerWaalsContact C-N 3.31Å; V286-K288 PolarHBondContact O-N 2.76Å; K288-L295 HydrophobicContact CB-CD1 3.71Å; K288-L295 HydrophobicContact CB-CG 4.04Å; K288-L295 HydrophobicContact CG-CG 4.49Å
289S80.6Confident76.4Confident56 Ų5698 Ų9839%0.39253%0.528SS..  trans-129.9169.4178.175.50000111.4T287 L291 N292 K293T287-S289 PolarHBondContact O-N 3.03Å; S289-L291 PolarHBondContact O-N 3.12Å; S289-L291 PolarHBondContact OG-N 3.2Å; S289-N292 PolarHBondContact N-O 3.15Å; S289-N292 CarbonylContact O-C 3.57Å; S289-N292 PolarHBondContact O-N 2.94Å; S289-N292 PolarHBondContact OG-N 3.38Å; S289-K293 PolarHBondContact O-N 3.01Å
290K82.3Confident76Confident195 Ų195100.7 Ų100.785%0.84854%0.535SS*.SBendtrans-58.2-29.2175.1-66.9-176.9-178.5177.50112.1K293K290-K293 WeakPolarHBondContact O-CE 3.4Å
291L72.6Confident75.8Confident173 Ų173105.5 Ų105.591%0.90656%0.564SS**SBendtrans-85.1-48.4176.5-67.3172.1000111.7S289S289-L291 PolarHBondContact O-N 3.12Å; S289-L291 PolarHBondContact OG-N 3.2Å
292N78.3Confident75.9Confident60 Ų60107.1 Ų107.132%0.32157%0.569SS.*  trans-10278.4178.1-177.828.5000110.3R284 S289 L294R284-N292 PolarHBondContact NH2-ND2 3.34Å; S289-N292 PolarHBondContact N-O 3.15Å; S289-N292 CarbonylContact O-C 3.57Å; S289-N292 PolarHBondContact O-N 2.94Å; S289-N292 PolarHBondContact OG-N 3.38Å; N292-L294 PolarHBondContact OD1-O 3.37Å
293K78.7Confident75.5Confident147 Ų147115 Ų11564%0.63959%0.587SS**  trans-76.4-31.3-176.8-62.3-178.7-176.8178.40113.3S289 K290S289-K293 PolarHBondContact O-N 3.01Å; K290-K293 WeakPolarHBondContact O-CE 3.4Å
294L75.7Confident75.4Confident145 Ų145114.1 Ų114.176%0.75959%0.589SS**  trans-9697.7-174.5-63.2177.6000110N292N292-L294 PolarHBondContact OD1-O 3.37Å
295L73.9Confident75.3Confident28 Ų28114 Ų11415%0.14761%0.605CS.*  trans-81.7119164.8-63.5-178.5000108.1R284 A285 K288 Q297R284-L295 HydrophobicContact CB-CD2 4.42Å; R284-L295 WeakPolarHBondContact O-CD1 3.38Å; R284-L295 VanDerWaalsContact O-CD2 3.25Å; R284-L295 WeakPolarHBondContact O-CD2 3.35Å; A285-L295 VanDerWaalsContact O-CD1 3.3Å; A285-L295 WeakPolarHBondContact O-CD1 3.47Å; K288-L295 HydrophobicContact CB-CD1 3.71Å; K288-L295 HydrophobicContact CB-CG 4.04Å; K288-L295 HydrophobicContact CG-CG 4.49Å; L295-Q297 VanDerWaalsContact C-N 3.33Å; L295-Q297 HydrophobicContact CB-CG 4.41Å; L295-Q297 PolarHBondContact O-N 3.05Å
296I70.3Confident75.6Confident86 Ų86117.7 Ų117.744%0.44161%0.606SS.*  trans-73.797.4170-59172.4000105.4M300I296-M300 HydrophobicContact CD1-CE 3.42Å; I296-M300 VanDerWaalsContact CD1-CE 3.42Å; I296-M300 HydrophobicContact CG2-CE 4.47Å; I296-M300 HydrophobicContact CG2-CG 4.2Å
297Q67.1Low75.6Confident170 Ų170116.9 Ų116.979%0.79460%0.604SS**  trans-81.5134.4175.6-65.5176.8-10.300108.5L295L295-Q297 VanDerWaalsContact C-N 3.33Å; L295-Q297 HydrophobicContact CB-CG 4.41Å; L295-Q297 PolarHBondContact O-N 3.05Å
298G69.7Low75.7Confident44 Ų44119.8 Ų119.845%0.45462%0.621SS.*SBendtrans91.6179176.800000115.8M300G298-M300 PolarHBondContact O-N 2.89Å
299K69.8Low75.8Confident205 Ų205117.7 Ų117.789%0.89161%0.614SS**PPolyproline II helixtrans-65.4121.2178.5-171.1175.8-178.5-179.70108.4P301K299-P301 WeakPolarHBondContact O-CD 3.47Å; K299-P301 VanDerWaalsContact O-N 3.15Å
300M69.1Low75.8Confident123 Ų123120 Ų12061%0.60662%0.62SS**PPolyproline II helixtrans-54.8123.7170.4-83.1-170.4145.500108.1I296 G298 D302I296-M300 HydrophobicContact CD1-CE 3.42Å; I296-M300 VanDerWaalsContact CD1-CE 3.42Å; I296-M300 HydrophobicContact CG2-CE 4.47Å; I296-M300 HydrophobicContact CG2-CG 4.2Å; G298-M300 PolarHBondContact O-N 2.89Å; M300-D302 PolarHBondContact O-N 3.38Å
301P72.4Confident75.5Confident109 Ų109119.2 Ų119.271%0.70862%0.62SS**PPolyproline II helixtrans-59.7132.6174.821.9-29.3000108.2K299 R303K299-P301 WeakPolarHBondContact O-CD 3.47Å; K299-P301 VanDerWaalsContact O-N 3.15Å; P301-R303 PolarHBondContact O-N 3.5Å
302D78.7Confident75.7Confident112 Ų112121.6 Ų121.660%0.59962%0.617SS**PPolyproline II helixtrans-52.2126.4174.2-165.9-10.2000107.4M300 G304 R306M300-D302 PolarHBondContact O-N 3.38Å; D302-G304 PolarHBondContact O-N 2.8Å; D302-G304 PolarHBondContact OD1-N 3.21Å; D302-R306 IonicContact OD2-CZ 3.82Å; D302-R306 IonicContact OD2-NE 2.95Å; D302-R306 IonicContact OD2-NH2 3.82Å; D302-R306 PolarHBondContact OD2-NH2 3.22Å
303R70.2Confident75.5Confident240 Ų240123.3 Ų123.391%0.90663%0.632SS**  trans-80.20.7-179-74.7-167.3172-177.9-1.9112.1P301P301-R303 PolarHBondContact O-N 3.5Å
304G78.8Confident75.3Confident35 Ų35121.6 Ų121.636%0.36164%0.635SS.*  trans58.6-168.8-178.200000111.4D302 E309D302-G304 PolarHBondContact O-N 2.8Å; D302-G304 PolarHBondContact OD1-N 3.21Å; G304-E309 WeakPolarHBondContact CA-OE2 3.07Å
305G79.4Confident75.4Confident54 Ų54121 Ų12156%0.55764%0.64SS**  trans90.821.2178.900000113.1E309G305-E309 PolarHBondContact N-OE2 3.09Å
306R82.7Confident75.2Confident139 Ų139128.4 Ų128.453%0.52567%0.674SS.*  trans-59.2139.6162.2-58.7179-168.3-161.15.3107.2D302 T308 E309D302-R306 IonicContact OD2-CZ 3.82Å; D302-R306 IonicContact OD2-NE 2.95Å; D302-R306 IonicContact OD2-NH2 3.82Å; D302-R306 PolarHBondContact OD2-NH2 3.22Å; R306-T308 PolarHBondContact O-N 2.94Å; R306-E309 HydrophobicContact CB-CG 4.21Å; R306-E309 WeakPolarHBondContact CD-OE1 3.38Å; R306-E309 IonicContact NE-OE1 3.6Å; R306-E309 PolarHBondContact O-N 3.01Å
307P77.7Confident75.3Confident118 Ų118130.9 Ų130.977%0.76669%0.685SS**THydrogen-bonded Turntrans-51.6-24.9178-29.335.4000114.2
308T82Confident75.1Confident127 Ų127128 Ų12878%0.77968%0.682SS**THydrogen-bonded Turntrans-76.2-18.4176.554.10000115R306R306-T308 PolarHBondContact O-N 2.94Å
309E82.7Confident75Confident105 Ų105130.9 Ų130.949%0.49170%0.695SS.*THydrogen-bonded Turntrans-96.9-13-179.5-66.4168.3-175.200112.5G304 G305 R306 E311G304-E309 WeakPolarHBondContact CA-OE2 3.07Å; G305-E309 PolarHBondContact N-OE2 3.09Å; R306-E309 HydrophobicContact CB-CG 4.21Å; R306-E309 WeakPolarHBondContact CD-OE1 3.38Å; R306-E309 IonicContact NE-OE1 3.6Å; R306-E309 PolarHBondContact O-N 3.01Å; E309-E311 PolarHBondContact O-N 3.36Å
310I79.2Confident74.2Confident104 Ų104131.9 Ų131.953%0.53369%0.693SS.*SBendtrans-80.6111.2178.9-62.2169000107.3R312I310-R312 PolarHBondContact O-N 3.18Å; I310-R312 VanDerWaalsContact O-N 3.13Å
311E75.8Confident74Confident180 Ų180130.6 Ų130.684%0.84170%0.696SS**PPolyproline II helixtrans-55.3121.8168.4-167.5170-161.400107.9E309E309-E311 PolarHBondContact O-N 3.36Å
312R78.1Confident73.9Confident222 Ų222134.4 Ų134.484%0.83870%0.704SS**PPolyproline II helixtrans-54.4131.1-178.4-171.8-177.2-76.1-143.60.3106.9I310I310-R312 PolarHBondContact O-N 3.18Å; I310-R312 VanDerWaalsContact O-N 3.13Å
313P74.4Confident72.8Confident97 Ų97140.3 Ų140.363%0.6372%0.718SS**PPolyproline II helixtrans-51.6136.618019-31000109.1
314P74Confident72.1Confident110 Ų110138.2 Ų138.271%0.71472%0.716SS**PPolyproline II helixtrans-55.2142.4177.519.9-29.4000109.1E316P314-E316 PolarHBondContact O-N 3.16Å
315P77Confident70.8Confident132 Ų132142.3 Ų142.386%0.85774%0.736SS**  trans-55.5110.7-174.810.2-18.6000110.8M317P315-M317 PolarHBondContact O-N 3.16Å; P315-M317 VanDerWaalsContact O-N 3.15Å
316E70.3Confident69.3Low185 Ų185144.4 Ų144.486%0.86475%0.748SS**  trans-81.114.1-168.5-129.6-179.7-156.900114.1P314 P318P314-E316 PolarHBondContact O-N 3.16Å; E316-P318 WeakPolarHBondContact O-CD 3.38Å
317M72.4Confident67.4Low138 Ų138145.2 Ų145.268%0.6876%0.762SS**  trans-106.3106.5-178.4-76-17258.300110.7P315 S319 W320P315-M317 PolarHBondContact O-N 3.16Å; P315-M317 VanDerWaalsContact O-N 3.15Å; M317-S319 PolarHBondContact O-N 2.9Å; M317-W320 HydrophobicContact CE-CE3 3.67Å; M317-W320 HydrophobicContact CE-CZ3 3.79Å
318P63.6Low65.5Low110 Ų110151.2 Ų151.271%0.71477%0.77SS**  trans-57.3135.2160.123.4-29.8000108.2E316 W320E316-P318 WeakPolarHBondContact O-CD 3.38Å; P318-W320 PolarHBondContact O-N 2.9Å
319S65.9Low63.5Low104 Ų104150.1 Ų150.173%0.72777%0.774SS**  trans-51.6110.3179.1560000109.1M317 S321M317-S319 PolarHBondContact O-N 2.9Å; S319-S321 VanDerWaalsContact C-N 3.31Å; S319-S321 PolarHBondContact O-N 3.1Å
320W53.9Low61.4Low226 Ų226148.6 Ų148.686%0.85679%0.786SS**  trans-62.598.7171.1-114-62.3000107.4M317 P318 Q322M317-W320 HydrophobicContact CE-CE3 3.67Å; M317-W320 HydrophobicContact CE-CZ3 3.79Å; P318-W320 PolarHBondContact O-N 2.9Å; W320-Q322 PolarHBondContact O-N 3.28Å; W320-Q322 VanDerWaalsContact O-N 3.17Å
321S65.7Low59.3Low95 Ų95155.3 Ų155.366%0.66481%0.805SS**  trans-68.6112.7170.6-43.60000107.1S319 R323S319-S321 VanDerWaalsContact C-N 3.31Å; S319-S321 PolarHBondContact O-N 3.1Å; S321-R323 PolarHBondContact O-N 2.92Å; S321-R323 VanDerWaalsContact O-N 3.07Å
322Q70.4Confident57.6Low189 Ų189153.1 Ų153.188%0.88380%0.803SS**  trans-55.6114.4176.6-155169.15.200108.3W320 K324W320-Q322 PolarHBondContact O-N 3.28Å; W320-Q322 VanDerWaalsContact O-N 3.17Å; Q322-K324 PolarHBondContact O-N 3.38Å
323R55.1Low55.6Low236 Ų236150.5 Ų150.589%0.89180%0.801SS**  trans-58.6125.1178.1-76.2-179.7157.3-169.3-6.3108.3S321S321-R323 PolarHBondContact O-N 2.92Å; S321-R323 VanDerWaalsContact O-N 3.07Å
324K56Low53.7Low197 Ų197151.2 Ų151.286%0.85781%0.808SS**  trans-59.7134.4177.3-63.8-141.8178.3-169.40109.2Q322 A326Q322-K324 PolarHBondContact O-N 3.38Å; K324-A326 PolarHBondContact O-N 3.44Å; K324-A326 VanDerWaalsContact O-N 3.1Å
325P49.5Very low51.8Low121 Ų121149.2 Ų149.279%0.78681%0.807SS**  trans-63.6115.4176.425.4-30.7000108.1
326A48.6Very low49.9Very low97 Ų97155.8 Ų155.880%0.80282%0.815SS**  trans-70.9133.9168.200000108.3K324 R328K324-A326 PolarHBondContact O-N 3.44Å; K324-A326 VanDerWaalsContact O-N 3.1Å; A326-R328 PolarHBondContact O-N 2.74Å
327D43.6Very low48.6Very low156 Ų156152 Ų15283%0.83481%0.809SS**  trans-53.2122-178-63.2-65.2000112.3
328R38.1Very low47Very low245 Ų245151.1 Ų151.193%0.92582%0.816SS**  trans33.796.9133.2-167.7-175.8-161178.14.8116.3A326A326-R328 PolarHBondContact O-N 2.74Å
329A40.2Very low45.9Very low104 Ų104157.9 Ų157.986%0.8683%0.827SS**  trans171.9136.2131.400000112.8
330G37.9Very low44.5Very low73 Ų73156.1 Ų156.175%0.75383%0.826SS**  trans102.887.8167.400000113.1
331R33.8Very low43.8Very low245 Ų245150.5 Ų150.593%0.92582%0.821SS**  44.59874.8-160.7-171.6-155.7-166.36.8112.6
332V40.1Very low42.3Very low133 Ų133152.7 Ų152.781%0.80683%0.825SS**  trans-177.6100.2135.5-176.10000104.8
333Q36.9Very low40.6Very low168 Ų168156.2 Ų156.279%0.78583%0.83SS**  65.6122.484.2-169.3172.8-25.900115.4
334S34.8Very low39.5Very low111 Ų111151 Ų15178%0.77682%0.821SS**  trans68.5124.9153.863.40000120.6
335G33.1Very low38.8Very low68 Ų68151.2 Ų151.270%0.70182%0.824SS**  trans13661.7130.800000117.5
336W38.6Very low37.8Very low271 Ų271149.5 Ų149.5100%1.02782%0.815SS**  -166.599.7127.6-102.1-17.1000111.6
337S41.8Very low37.4Very low105 Ų105150.2 Ų150.273%0.73481%0.812SS**  trans-77.2130.5166.260.20000110.6
338S39.4Very low36.9Very low119 Ų119150.8 Ų150.883%0.83281%0.813SS**  26.698.6126.9-49.10000118.2
339R40.8Very low36.6Very low253 Ų253142.2 Ų142.296%0.95580%0.8SS**  trans-152.1124.8144.2-90.2-177.9177.8170.7-1105.1
340G37.1Very low36.2Very low67 Ų67146.4 Ų146.469%0.69181%0.805SS**  cis168.1161.96.500000108.1
341S39.1Very low35.6Very low107 Ų107146.1 Ų146.175%0.74880%0.801SS**  trans74.2100.8152.4-53.30000117.8
342N33.2Very low35.5Very low142 Ų142145.2 Ų145.276%0.75980%0.8SS**  8282.281.7-83.361.8000112.9
343W35.3Very low35.1Very low262 Ų262147.2 Ų147.299%0.99280%0.8SS**  trans-124.578.2144-69.791.1000106.9
344N31.9Very low35.1Very low128 Ų128145 Ų14568%0.68480%0.8SS**  trans-138.6105.6163.5-149.511.2000107
345Q40.7Very low34.7Very low201 Ų201145.1 Ų145.194%0.93979%0.792SS**  trans-143.795.7156.7-106172.497.100106.5
346S29.7Very low34.6Very low85 Ų85152.9 Ų152.959%0.59480%0.802SS**  trans-58.7172.1161.5-42.50000111
347P40.2Very low34.3Very low112 Ų112143.9 Ų143.973%0.72778%0.78SS**  -141.4134.195.624.3-4.2000115.2
348I32Very low33.9Very low168 Ų168143.9 Ų143.986%0.86278%0.776SS**  70118.3127.7-57.2166.1000118.4
349G32Very low33.6Very low64 Ų64145.7 Ų145.766%0.6677%0.774SS**  trans149.973.2158.200000112.5
350M32.7Very low33.3Very low193 Ų193141.2 Ų141.295%0.95176%0.763SS**  44.897.3114.5-68.2-67.6-173.300112.2
351G25Very low32.7Very low66 Ų66145.7 Ų145.768%0.6877%0.767SS**  110111.160.700000107.1
352Y31.8Very low32.3Very low226 Ų226152 Ų15289%0.88678%0.775SS**  trans177.4106.5145-115.8-94.6000107.6
353Q31.4Very low31.9Very low175 Ų175148 Ų14882%0.81877%0.769SS**  trans-89.4139158.5-77.4-132.6-30.700108.3
354P36.9Very low31.5Very low122 Ų122147.1 Ų147.179%0.79277%0.767SS**  trans-108.7110.4144.624.9-8.9000108.6
355D26.6Very low31.4Very low113 Ų113144.1 Ų144.160%0.60477%0.766SS**  trans-69.8122156173.420.6000108.2S357D355-S357 PolarHBondContact OD1-N 2.95Å; D355-S357 PolarHBondContact OD1-OG 3.34Å
356Y31.5Very low30.8Very low231 Ų231142.8 Ų142.891%0.90676%0.76SS**  trans-141.183.9146.4-108.2-84.2000107.5
357S31.4Very low30.6Very low82 Ų82144.1 Ų144.157%0.57376%0.761SS**  trans-71.4121.5152.547.60000109.5D355D355-S357 PolarHBondContact OD1-N 2.95Å; D355-S357 PolarHBondContact OD1-OG 3.34Å
358T34.1Very low29.9Very low106 Ų106148 Ų14865%0.6576%0.762SS**  trans149.4122.7140.6-58.80000110.9
359M33.1Very low29.6Very low157 Ų157144 Ų14477%0.77375%0.749SS**  trans145.185.2146.3-74.9-52.9155.500108
360Q33.9Very low29.6Very low158 Ų158149.1 Ų149.174%0.73876%0.758SS**  48.7102.597.7-71.9-167.73600112.4
361Q25.3Very low29.2Very low162 Ų162146.1 Ų146.176%0.75775%0.751SS**  6699.496.6-175.1-175.73300112.6
362Y29.6Very low29.3Very low238 Ų238146.2 Ų146.293%0.93375%0.751SS**  trans-178.9129.2144.2-90.8-76.2000102.9
363G25.3Very low29.1Very low60 Ų60140.9 Ų140.962%0.61975%0.747SS**  cis119.3115.838.700000107.6
364Y26.5Very low29.1Very low242 Ų242141.5 Ų141.595%0.94975%0.752SS**  trans72.2135.3156.5-74.1-93.1000123
365G29.5Very low28.5Very low66 Ų66145.1 Ų145.168%0.6876%0.759SS**  trans101.1103140.100000115.7
366Q28.4Very low28.4Very low173 Ų173143.5 Ų143.581%0.80877%0.768SS**  41.4108.897.4-78.1-133.849.800113.8
367N25.2Very low28Very low113 Ų113135.7 Ų135.760%0.60476%0.758SS**  164.6152.186.4-117.6-31.4000114.3
368Y25.5Very low27.7Very low193 Ų193140.5 Ų140.576%0.75777%0.769SS**  trans49.5113.5152.1-74-73.9000123
369S26.7Very low27.7Very low84 Ų84146.7 Ų146.759%0.58778%0.782SS**  24.8122.5125.764.10000120.6
370M30.6Very low27.3Very low171 Ų171146.3 Ų146.384%0.84278%0.783SS**  trans-157.6111131.7-74.5-51.9162.200106.2
371T24.2Very low27.1Very low131 Ų131143.5 Ų143.580%0.80478%0.781SS**  37.2110.394.359.70000114.6
372G27.1Very low27.5Very low67 Ų67141.4 Ų141.469%0.69178%0.781SS**  trans171.583.5173.100000113.5
373S27.4Very low27.7Very low114 Ų114138.3 Ų138.380%0.79778%0.775SS**  trans-15.8121.9155.448.70000117
374M32.1Very low28Very low189 Ų189142.4 Ų142.493%0.93178%0.783SS**  trans-120.1104155.4-77.5-85.8157.200107.8
375Q24.9Very low28.2Very low198 Ų198140.4 Ų140.493%0.92578%0.779SS**  trans-84.7138.7170.5176.5179.925.900108.4
376G24.5Very low28.2Very low78 Ų78143.6 Ų143.680%0.80478%0.781SS**  trans126.4130.4173.700000110.6
377G23.5Very low28.3Very low67 Ų67143 Ų14369%0.69178%0.782SS**  cis173.9150.510.800000106.7
378F24.1Very low28.4Very low184 Ų184144 Ų14481%0.80779%0.788SS**  trans-39.3131.6174.7-70.4-103.2000115.3
379Y34.1Very low28.6Very low236 Ų236143.4 Ų143.493%0.92579%0.792SS**  trans-13997.3137.4-79.3-76.2000108.5
380D24.8Very low28.8Very low148 Ų148149.8 Ų149.879%0.79181%0.809SS**  trans-68.1125.5154.5-97-54.7000108.3
381S31Very low28.7Very low99 Ų99147.7 Ų147.769%0.69281%0.806SS**  trans-148.1129.9153.4-140.50000110.1
382P32.1Very low29Very low118 Ų118152.1 Ų152.177%0.76681%0.808SS**  trans-89.3127.2-164.333.9-30.3000110.7
383H34.4Very low29.1Very low173 Ų173157.4 Ų157.480%0.80182%0.815SS**  trans-108.190168.8-75-3.5000110F385H383-F385 PolarHBondContact O-N 3.16Å
384N30.8Very low29.2Very low146 Ų146157.8 Ų157.878%0.78182%0.815SS**  trans13.194.1141.4-154.9-4.5000115.8N386N384-N386 PolarHBondContact O-N 2.67Å
385F32.3Very low29.2Very low200 Ų200153.5 Ų153.588%0.87781%0.809SS**  trans-77.795.7165.5-87.4-90.8000108.8H383 L387H383-F385 PolarHBondContact O-N 3.16Å; F385-L387 PolarHBondContact O-N 3.42Å
386N29Very low29.4Very low134 Ų134152 Ų15272%0.71780%0.803SS**  trans-71.897.2173.3-156.2-23000109.1N384 D388N384-N386 PolarHBondContact O-N 2.67Å; N386-D388 PolarHBondContact O-N 2.94Å
387L29.3Very low29.4Very low159 Ų159159.3 Ų159.383%0.83281%0.808SS**  trans-87.172175.7-17673.3000108.9F385F385-L387 PolarHBondContact O-N 3.42Å
388D28.2Very low29.7Very low136 Ų136166.8 Ų166.873%0.72782%0.816SS**  trans-158.473.2170.3-93.6-37.2000111.1N386N386-D388 PolarHBondContact O-N 2.94Å
389Q29.8Very low29.7Very low180 Ų180161.6 Ų161.684%0.84182%0.815SS**  trans-166.552.3160.1-115.2168.581.400113.4
390F31.3Very low29.4Very low217 Ų217153.3 Ų153.395%0.95280%0.801SS**  trans-136.854.3161.4-75.3-73.5000111.5
391T28.2Very low29.6Very low127 Ų127155.6 Ų155.678%0.77981%0.807SS**  trans-132.7141.2151.559.40000107.8
392R30.4Very low29.8Very low225 Ų225157.3 Ų157.385%0.84981%0.813SS**  trans97.882.6176.6-53.9-170-176.7-85.2-3.1117
393Q28.8Very low29.6Very low177 Ų177157.5 Ų157.583%0.82781%0.814SS**  156.6136.596.5-88.2173.791.800111.4
394P28.9Very low29.2Very low122 Ų122158.4 Ų158.479%0.79282%0.816SS**PPolyproline II helixtrans-71.7132.7-176.628.3-31.8000111.4Q396P394-Q396 PolarHBondContact O-N 3.03Å
395A33.4Very low29.1Very low99 Ų99159.2 Ų159.282%0.81882%0.82SS**PPolyproline II helixtrans-60.8118.717700000110.5Y397A395-Y397 PolarHBondContact O-N 3.44Å
396Q27.6Very low28.9Very low168 Ų168156 Ų15679%0.78581%0.808SS**PPolyproline II helixtrans-61.4126.7172.1-70.7-76.830.900109.9P394 Y398P394-Q396 PolarHBondContact O-N 3.03Å; Q396-Y398 PolarHBondContact O-N 3.08Å
397Y25Very low28.9Very low231 Ų231156.7 Ų156.791%0.90681%0.807SS**  trans-64.597.6174.8-119.8-106.4000109.2A395 G399A395-Y397 PolarHBondContact O-N 3.44Å; Y397-G399 PolarHBondContact O-N 3.09Å
398Y30.2Very low28.9Very low223 Ų223160.4 Ų160.488%0.87581%0.81SS**  trans-79.2101.4162.4-92.3-90.2000108.3Q396 G400Q396-Y398 PolarHBondContact O-N 3.08Å; Y398-G400 VanDerWaalsContact C-N 3.35Å; Y398-G400 PolarHBondContact O-N 2.83Å
399G23.9Very low29Very low75 Ų75159.6 Ų159.677%0.77381%0.812SS**  trans-65.191.5167.300000110.4Y397Y397-G399 PolarHBondContact O-N 3.09Å
400G27.9Very low28.9Very low62 Ų62161.4 Ų161.464%0.63981%0.813SS**  trans-104.8103.316600000109.3Y398 V402Y398-G400 VanDerWaalsContact C-N 3.35Å; Y398-G400 PolarHBondContact O-N 2.83Å; G400-V402 PolarHBondContact O-N 2.71Å
401Q28.5Very low29.1Very low196 Ų196156.7 Ų156.792%0.91680%0.804SS**  trans-68.898.3172.5-63.8162.215.900108.3
402V35.4Very low29.3Very low136 Ų136159.4 Ų159.482%0.82481%0.808SS**  trans-85.7122.5166.8-99.30000108.4G400G400-V402 PolarHBondContact O-N 2.71Å
403P28.7Very low29.3Very low121 Ų121160.1 Ų160.179%0.78681%0.81SS**  trans-65138.5-173-8.517.2000112.2N405P403-N405 PolarHBondContact O-N 3.47Å
404F25.2Very low29.6Very low193 Ų193156.7 Ų156.785%0.84681%0.806SS**  trans-59.898.4173.4-142-103.1000109.4E406F404-E406 HydrophobicContact CD1-CG 4.39Å; F404-E406 PolarHBondContact O-N 3Å
405N29.9Very low29.9Very low162 Ų162157.9 Ų157.987%0.86681%0.806SS**  trans-88.599.1173.6-163.225.5000109.4P403P403-N405 PolarHBondContact O-N 3.47Å
406E26.5Very low29.8Very low132 Ų132160.4 Ų160.462%0.61781%0.806SS**  trans-69.2133.8172.4-106.1-178.4159.100111.6F404F404-E406 HydrophobicContact CD1-CG 4.39Å; F404-E406 PolarHBondContact O-N 3Å
407H28.9Very low30.3Very low150 Ų150162.9 Ų162.969%0.69481%0.808SS**  trans62.3100156.1-56.790.9000119.6
408R29.1Very low30.8Very low237 Ų237163.2 Ų163.289%0.89481%0.807SS**  -142.9113.4124.4-73.2-161-179.7-135.5-2.1111.1
409P30.6Very low31.2Very low119 Ų119162.4 Ų162.477%0.77381%0.809SS**  trans-73.5128.8174.227-28.5000110.6
410Y29.1Very low31.8Very low217 Ų217170 Ų17085%0.85181%0.814SS**  trans-61.8134.4171.9-73.5-90.3000110.4Q412Y410-Q412 PolarHBondContact O-N 3.32Å
411P34.8Very low32.2Very low119 Ų119176.3 Ų176.377%0.77383%0.827SS**  trans-70.2114.9-178.326.4-31.3000110.6R413P411-R413 PolarHBondContact O-N 3.44Å; P411-R413 VanDerWaalsContact O-N 3.13Å
412Q32.4Very low32.7Very low183 Ų183178.6 Ų178.686%0.85583%0.827SS**  trans-65.6106.7168.1-68.1-74.97.300108.5Y410 S414Y410-Q412 PolarHBondContact O-N 3.32Å; Q412-S414 PolarHBondContact O-N 2.8Å
413R30.6Very low33Very low240 Ų240187.4 Ų187.491%0.90685%0.845SS**  trans-64105169.5-81.9-176.4168.8-165.4-2.4108.8P411 N415P411-R413 PolarHBondContact O-N 3.44Å; P411-R413 VanDerWaalsContact O-N 3.13Å; R413-N415 PolarHBondContact O-N 3.36Å; R413-N415 VanDerWaalsContact O-N 3.11Å
414S34.3Very low33.3Very low106 Ų106190.7 Ų190.774%0.74185%0.848SS**  trans-72.199171.662.70000109.5Q412 N416Q412-S414 PolarHBondContact O-N 2.8Å; S414-N416 PolarHBondContact O-N 3.22Å
415N35.8Very low33.7Very low147 Ų147190.6 Ų190.679%0.78685%0.849SS**  trans-77.475164.7-97.1-14.3000109.1R413 R417R413-N415 PolarHBondContact O-N 3.36Å; R413-N415 VanDerWaalsContact O-N 3.11Å; N415-R417 VanDerWaalsContact C-N 3.25Å; N415-R417 PolarHBondContact O-N 3.28Å
416N32.2Very low33.9Very low152 Ų152192.2 Ų192.281%0.81385%0.848SS**  trans-78.674.6167.5-117.31.1000108.9S414 R418S414-N416 PolarHBondContact O-N 3.22Å; N416-R418 PolarHBondContact O-N 3.43Å; N416-R418 VanDerWaalsContact O-N 3.15Å
417R37.9Very low34.3Very low220 Ų220195.7 Ų195.783%0.8386%0.861SS**  trans-79.595.1166.8-82.6-171.6-176.4-177.92.3108.9N415 F419N415-R417 VanDerWaalsContact C-N 3.25Å; N415-R417 PolarHBondContact O-N 3.28Å; R417-F419 PolarHBondContact O-N 2.93Å; R417-F419 VanDerWaalsContact O-N 3.16Å
418R34Very low34.7Very low238 Ų238198.6 Ų198.690%0.89887%0.872SS**  trans-46.7111.5166.2-77.2176.2167.3173.7-4.7110.4N416 R420N416-R418 PolarHBondContact O-N 3.43Å; N416-R418 VanDerWaalsContact O-N 3.15Å; R418-R420 PolarHBondContact O-N 2.65Å
419F39.1Very low35Very low206 Ų206196 Ų19690%0.90487%0.87SS**  trans-70.1104.8159.4-96.3-94.2000108R417 Q421R417-F419 PolarHBondContact O-N 2.93Å; R417-F419 VanDerWaalsContact O-N 3.16Å; F419-Q421 PolarHBondContact O-N 3.29Å
420R36.4Very low35.3Very low234 Ų234201.5 Ų201.588%0.88388%0.877SS**  trans-68.2115.4166.3-85.5-178.5163.1175-4.8108R418 R422R418-R420 PolarHBondContact O-N 2.65Å; R420-R422 PolarHBondContact O-N 3.08Å
421Q36.7Very low35.8Very low194 Ų194200.3 Ų200.391%0.90788%0.879SS**  trans-60.2119.4160.7-73.6177.1-13.700107.9F419F419-Q421 PolarHBondContact O-N 3.29Å
422R39.8Very low35.9Very low245 Ų245207.1 Ų207.193%0.92589%0.888SS**  trans-78129.2164.2-84.4-175.1165.1-173.1-4.5107.4R420R420-R422 PolarHBondContact O-N 3.08Å
423R41.9Very low36.2Very low320 Ų320209.3 Ų209.3100%1.20889%0.891SS**  trans-56.40167.3-77.6-177.1171-174.7-3.6111.2

Retrieved 423 of 423 residues in 311.8 ms (Link to these results)