A0A060X2G1_ONCMY Loading...

Nucleolar protein 16

AlphaFold DB , UniProt , Accession A0A060X2G1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 178 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M54.7Low60.4Low230 Ų230177.8 Ų177.8100%1.13388%0.876SS**  0127.70-64.3173.48100109.3K3M1-K3 PolarHBondContact O-N 3.3Å
2P54Low61.7Low131 Ų131173.1 Ų173.185%0.85187%0.865SS**  trans-72.3129.9179.329.6-31000109.9A4P2-A4 PolarHBondContact O-N 3.15Å
3K56.4Low62.9Low203 Ų203167.6 Ų167.688%0.88383%0.833SS**  trans-65.7124.2178.2-67-172.1179.4-179.70109.5M1 K5M1-K3 PolarHBondContact O-N 3.3Å; K3-K5 PolarHBondContact O-N 3.39Å; K3-K5 VanDerWaalsContact O-N 3.08Å
4A62Low64.3Low99 Ų99159.8 Ų159.882%0.81880%0.795SS**  trans-58.2113.1176.600000110.5P2 K6P2-A4 PolarHBondContact O-N 3.15Å; A4-K6 PolarHBondContact O-N 3.1Å; A4-K6 VanDerWaalsContact O-N 3.11Å
5K61.4Low65.7Low203 Ų203162.9 Ų162.988%0.88380%0.796SS**  trans-62.5112.2172.6-78-177.2176.8177.70108.3K3 K7K3-K5 PolarHBondContact O-N 3.39Å; K3-K5 VanDerWaalsContact O-N 3.08Å; K5-K7 PolarHBondContact O-N 3.22Å
6K62.7Low67Low204 Ų204158.9 Ų158.989%0.88779%0.79SS**  trans-56.7109.7169.4-74.8-178.8178177.90107.7A4 S8A4-K6 PolarHBondContact O-N 3.1Å; A4-K6 VanDerWaalsContact O-N 3.11Å; K6-S8 PolarHBondContact O-N 3.39Å
7K60.6Low68.1Low198 Ų198156.2 Ų156.286%0.86177%0.772SS**  trans-57110.5171.5-87.9-177.8175.6177.70107.4K5 K9K5-K7 PolarHBondContact O-N 3.22Å; K7-K9 VanDerWaalsContact C-N 3.34Å; K7-K9 PolarHBondContact O-N 2.98Å
8S61.8Low69.3Low111 Ų111152.8 Ų152.878%0.77676%0.758SS**  trans-60.3101.9163.6175.70000106.3K6 R10K6-S8 PolarHBondContact O-N 3.39Å; S8-R10 PolarHBondContact O-N 3Å
9K62.6Low70.2Confident186 Ų186151.9 Ų151.981%0.80975%0.745SS**  trans-63.3108171.6-76.9-176.8177-179.90105.7K7 N11K7-K9 VanDerWaalsContact C-N 3.34Å; K7-K9 PolarHBondContact O-N 2.98Å; K9-N11 PolarHBondContact O-N 3.37Å
10R62.3Low71.2Confident226 Ų226152.5 Ų152.585%0.85374%0.743SS**  trans-52.3126.2164.5-79.1-179.3176.9166.8-1.7106.3S8 T12S8-R10 PolarHBondContact O-N 3Å; R10-T12 PolarHBondContact O-N 3.04Å
11N66.3Low72.2Confident165 Ų165151.4 Ų151.488%0.88274%0.735SS**  trans-67.179.8177.9-71.7-35.8000109K9 F13K9-N11 PolarHBondContact O-N 3.37Å; N11-F13 PolarHBondContact O-N 3.12Å
12T76.2Confident73.9Confident121 Ų121144.3 Ų144.374%0.74270%0.701SS**  trans-68.9123.6173.2-510000108.1R10 D14R10-T12 PolarHBondContact O-N 3.04Å; T12-D14 PolarHBondContact O-N 2.94Å
13F77.1Confident75.7Confident102 Ų102144.5 Ų144.545%0.44769%0.688SS.*  trans-74.8114.2177.3-174.5-92.7000109.3N11 Y15 R19N11-F13 PolarHBondContact O-N 3.12Å; F13-Y15 AromaticContact CD1-CD1 3.71Å; F13-Y15 HydrophobicContact CD1-CD1 3.71Å; F13-Y15 HydrophobicContact CD1-CD2 4.4Å; F13-Y15 AromaticContact CD1-CE1 3.7Å; F13-Y15 HydrophobicContact CD1-CE1 3.7Å; F13-Y15 HydrophobicContact CD1-CE2 4.4Å; F13-Y15 HydrophobicContact CD1-CG 4.07Å; F13-Y15 AromaticContact CE1-CD1 3.73Å; F13-Y15 HydrophobicContact CE1-CD1 3.73Å; F13-Y15 AromaticContact CE1-CE1 3.98Å; F13-Y15 HydrophobicContact CE1-CE1 3.98Å; F13-Y15 HydrophobicContact CE1-CG 4.32Å; F13-Y15 PolarHBondContact O-N 3.32Å; F13-R19 HydrophobicContact CE2-CG 4.44Å; F13-R19 VanDerWaalsContact CE2-NE 3.29Å
14D81.8Confident77.3Confident58 Ų58141.9 Ų141.931%0.3168%0.677SS.*  trans-79.8107175.3-175.2-6.8000110T12 S16 K17T12-D14 PolarHBondContact O-N 2.94Å; D14-S16 PolarHBondContact O-N 3.46Å; D14-S16 WeakPolarHBondContact OD1-CB 3.41Å; D14-S16 PolarHBondContact OD1-N 3.4Å; D14-S16 VanDerWaalsContact OD1-N 3.1Å; D14-S16 PolarHBondContact OD1-OG 3.13Å; D14-S16 PolarHBondContact OD2-OG 3.09Å; D14-K17 HydrophobicContact CB-CD 4.48Å; D14-K17 PolarHBondContact O-N 2.88Å; D14-K17 VanDerWaalsContact OD2-CD 3.26Å; D14-K17 WeakPolarHBondContact OD2-CD 3.23Å; D14-K17 WeakPolarHBondContact OD2-CE 3.48Å; D14-K17 IonicContact OD2-NZ 3.5Å; D14-K17 PolarHBondContact OD2-NZ 3.09Å
15Y85.1Confident78.6Confident206 Ų206141.9 Ų141.981%0.80866%0.66SS**THydrogen-bonded Turntrans-69.6-16.8-178.8-65.8-82.1000113.5F13 K17F13-Y15 AromaticContact CD1-CD1 3.71Å; F13-Y15 HydrophobicContact CD1-CD1 3.71Å; F13-Y15 HydrophobicContact CD1-CD2 4.4Å; F13-Y15 AromaticContact CD1-CE1 3.7Å; F13-Y15 HydrophobicContact CD1-CE1 3.7Å; F13-Y15 HydrophobicContact CD1-CE2 4.4Å; F13-Y15 HydrophobicContact CD1-CG 4.07Å; F13-Y15 AromaticContact CE1-CD1 3.73Å; F13-Y15 HydrophobicContact CE1-CD1 3.73Å; F13-Y15 AromaticContact CE1-CE1 3.98Å; F13-Y15 HydrophobicContact CE1-CE1 3.98Å; F13-Y15 HydrophobicContact CE1-CG 4.32Å; F13-Y15 PolarHBondContact O-N 3.32Å; Y15-K17 PolarHBondContact O-N 3.4Å
16S87.4Confident79.9Confident100 Ų100138 Ų13870%0.69964%0.643SS**THydrogen-bonded Turntrans-75.1-14.3178.172.80000113.3D14D14-S16 PolarHBondContact O-N 3.46Å; D14-S16 WeakPolarHBondContact OD1-CB 3.41Å; D14-S16 PolarHBondContact OD1-N 3.4Å; D14-S16 VanDerWaalsContact OD1-N 3.1Å; D14-S16 PolarHBondContact OD1-OG 3.13Å; D14-S16 PolarHBondContact OD2-OG 3.09Å
17K85.8Confident81Confident112 Ų112134.1 Ų134.149%0.48763%0.626SS.*SBendtrans-111.1118-173.6-68.9177.7-173.4153.80111.8D14 Y15 R19 L22D14-K17 HydrophobicContact CB-CD 4.48Å; D14-K17 PolarHBondContact O-N 2.88Å; D14-K17 VanDerWaalsContact OD2-CD 3.26Å; D14-K17 WeakPolarHBondContact OD2-CD 3.23Å; D14-K17 WeakPolarHBondContact OD2-CE 3.48Å; D14-K17 IonicContact OD2-NZ 3.5Å; D14-K17 PolarHBondContact OD2-NZ 3.09Å; Y15-K17 PolarHBondContact O-N 3.4Å; K17-R19 PolarHBondContact O-N 2.95Å; K17-L22 HydrophobicContact CB-CD1 4.04Å; K17-L22 HydrophobicContact CD-CD1 4.27Å; K17-L22 HydrophobicContact CG-CD1 4.39Å
18D89.6Confident82.2Confident96 Ų96132.9 Ų132.951%0.51362%0.621SS.*  trans-7498.5165.9-177.2-0.2000110.7K20 K21 L22D18-K20 PolarHBondContact O-N 2.95Å; D18-K20 WeakPolarHBondContact OD1-CB 3.36Å; D18-K20 PolarHBondContact OD1-N 3.31Å; D18-K21 HydrophobicContact CB-CB 4.04Å; D18-K21 PolarHBondContact O-N 3.1Å; D18-K21 PolarHBondContact OD1-N 2.93Å; D18-L22 PolarHBondContact O-N 3.03Å
19R86.4Confident83.4Confident135 Ų135138.3 Ų138.351%0.50962%0.624SS.*Hα-helixtrans-60.5-28.9178-63.8-172.3-177.6-108.60.5113F13 K17 K23F13-R19 HydrophobicContact CE2-CG 4.44Å; F13-R19 VanDerWaalsContact CE2-NE 3.29Å; K17-R19 PolarHBondContact O-N 2.95Å; R19-K23 VanDerWaalsContact O-CB 3.26Å; R19-K23 WeakPolarHBondContact O-CB 3.47Å; R19-K23 PolarHBondContact O-N 3.04Å
20K89.9Confident84.5Confident164 Ų164134.9 Ų134.971%0.71361%0.612SS**Hα-helixtrans-68.8-43.6177.3-66.4179.1179.5174.10110D18 K23 K24D18-K20 PolarHBondContact O-N 2.95Å; D18-K20 WeakPolarHBondContact OD1-CB 3.36Å; D18-K20 PolarHBondContact OD1-N 3.31Å; K20-K23 PolarHBondContact O-N 3.14Å; K20-K24 WeakPolarHBondContact O-CG 3.39Å; K20-K24 PolarHBondContact O-N 3.19Å
21K92.1Very high85.6Confident130 Ų130126.7 Ų126.757%0.56559%0.592SS**Hα-helixtrans-64.3-46175.6-170.2176-178.6179.10111.6D18 K23 K24 Q25D18-K21 HydrophobicContact CB-CB 4.04Å; D18-K21 PolarHBondContact O-N 3.1Å; D18-K21 PolarHBondContact OD1-N 2.93Å; K21-K23 PolarHBondContact O-N 2.73Å; K21-K24 WeakPolarHBondContact O-CB 3.48Å; K21-K24 PolarHBondContact O-N 3.11Å; K21-Q25 WeakPolarHBondContact O-CG 3.4Å; K21-Q25 PolarHBondContact O-N 2.91Å
22L91.3Very high86.7Confident81 Ų81121.7 Ų121.742%0.42457%0.568SS.*Hα-helixtrans-60.9-43176.5-69.6176.6000112.2K17 D18 K24 Q25 F26K17-L22 HydrophobicContact CB-CD1 4.04Å; K17-L22 HydrophobicContact CD-CD1 4.27Å; K17-L22 HydrophobicContact CG-CD1 4.39Å; D18-L22 PolarHBondContact O-N 3.03Å; L22-K24 VanDerWaalsContact C-N 3.32Å; L22-K24 PolarHBondContact O-N 3.22Å; L22-Q25 PolarHBondContact O-N 3.02Å; L22-F26 WeakPolarHBondContact O-CB 3.08Å; L22-F26 PolarHBondContact O-N 3.03Å
23K89.9Confident87.4Confident134 Ų134127 Ų12758%0.58358%0.575SS**Hα-helixtrans-61.1-39.9175.1-175.3175.3-176.9175.10112.1R19 K20 K21 K27R19-K23 VanDerWaalsContact O-CB 3.26Å; R19-K23 WeakPolarHBondContact O-CB 3.47Å; R19-K23 PolarHBondContact O-N 3.04Å; K20-K23 PolarHBondContact O-N 3.14Å; K21-K23 PolarHBondContact O-N 2.73Å; K23-K27 WeakPolarHBondContact O-CB 3.47Å; K23-K27 VanDerWaalsContact O-CG 3.28Å; K23-K27 WeakPolarHBondContact O-CG 2.87Å; K23-K27 PolarHBondContact O-N 3.17Å
24K90.1Very high88.2Confident149 Ų149123.6 Ų123.665%0.64856%0.561SS**Hα-helixtrans-64-44.7174.8-73.1176.8-179.3-177.60111.4K20 K21 L22 K27 K28K20-K24 WeakPolarHBondContact O-CG 3.39Å; K20-K24 PolarHBondContact O-N 3.19Å; K21-K24 WeakPolarHBondContact O-CB 3.48Å; K21-K24 PolarHBondContact O-N 3.11Å; L22-K24 VanDerWaalsContact C-N 3.32Å; L22-K24 PolarHBondContact O-N 3.22Å; K24-K27 PolarHBondContact O-N 3.24Å; K24-K28 WeakPolarHBondContact O-CG 3.42Å; K24-K28 PolarHBondContact O-N 3.2Å
25Q90.8Very high88.9Confident99 Ų99128.8 Ų128.846%0.46358%0.583SS.*Hα-helixtrans-62.8-44.8177.2-711772.600111.9K21 L22 K28 R29K21-Q25 WeakPolarHBondContact O-CG 3.4Å; K21-Q25 PolarHBondContact O-N 2.91Å; L22-Q25 PolarHBondContact O-N 3.02Å; Q25-K28 PolarHBondContact O-N 3.34Å; Q25-R29 WeakPolarHBondContact O-CG 3.35Å; Q25-R29 PolarHBondContact O-N 3.35Å
26F88Confident89.3Confident121 Ų121120.6 Ų120.653%0.53156%0.556SS.*Hα-helixtrans-60.6-48.2177.3-171-104.6000111.4L22 K28 R29 E30L22-F26 WeakPolarHBondContact O-CB 3.08Å; L22-F26 PolarHBondContact O-N 3.03Å; F26-K28 VanDerWaalsContact C-N 3.32Å; F26-K28 PolarHBondContact O-N 3.06Å; F26-R29 WeakPolarHBondContact O-CB 3.46Å; F26-R29 PolarHBondContact O-N 3Å; F26-R29 VanDerWaalsContact O-N 3.08Å; F26-E30 HydrophobicContact CD1-CG 4.16Å; F26-E30 WeakPolarHBondContact CD1-OE2 3.49Å; F26-E30 HydrophobicContact CE1-CG 3.92Å; F26-E30 WeakPolarHBondContact CE1-OE1 3.42Å; F26-E30 WeakPolarHBondContact CE1-OE2 3.4Å; F26-E30 HydrophobicContact CE2-CG 4.44Å; F26-E30 VanDerWaalsContact CZ-CD 3.42Å; F26-E30 HydrophobicContact CZ-CG 4.04Å; F26-E30 WeakPolarHBondContact CZ-OE1 3.49Å; F26-E30 WeakPolarHBondContact O-CG 3.43Å; F26-E30 PolarHBondContact O-N 3.14Å
27K86.4Confident89.7Confident122 Ų122119.4 Ų119.453%0.5355%0.546SS..Hα-helixtrans-59-39.8174.7-76.3-176.9171.2-157.50113.5K23 K24 R29 E30 A31K23-K27 WeakPolarHBondContact O-CB 3.47Å; K23-K27 VanDerWaalsContact O-CG 3.28Å; K23-K27 WeakPolarHBondContact O-CG 2.87Å; K23-K27 PolarHBondContact O-N 3.17Å; K24-K27 PolarHBondContact O-N 3.24Å; K27-R29 VanDerWaalsContact C-N 3.32Å; K27-E30 PolarHBondContact O-N 3.18Å; K27-A31 WeakPolarHBondContact O-CB 3.37Å; K27-A31 PolarHBondContact O-N 2.93Å; K27-A31 VanDerWaalsContact O-N 3.07Å
28K86.2Confident90.1Very high172 Ų172115.2 Ų115.275%0.74853%0.528SS*.Hα-helixtrans-65.3-37175.8-76.1-176.7177.5-165.10111.9K24 Q25 F26K24-K28 WeakPolarHBondContact O-CG 3.42Å; K24-K28 PolarHBondContact O-N 3.2Å; Q25-K28 PolarHBondContact O-N 3.34Å; F26-K28 VanDerWaalsContact C-N 3.32Å; F26-K28 PolarHBondContact O-N 3.06Å
29R86.9Confident90.4Very high225 Ų225112.1 Ų112.185%0.84951%0.511SS*.Hα-helixtrans-72-36.1176.8-76.4-176.8143.8-166.6-7.1113.1Q25 F26 K27 A31Q25-R29 WeakPolarHBondContact O-CG 3.35Å; Q25-R29 PolarHBondContact O-N 3.35Å; F26-R29 WeakPolarHBondContact O-CB 3.46Å; F26-R29 PolarHBondContact O-N 3Å; F26-R29 VanDerWaalsContact O-N 3.08Å; K27-R29 VanDerWaalsContact C-N 3.32Å; R29-A31 VanDerWaalsContact C-N 3.35Å
30E84.6Confident90.8Very high115 Ų115113.8 Ų113.854%0.53752%0.517SS..Hα-helixtrans-79.5-15.9178.3-70.9-171.4138.500113.7F26 K27 P32F26-E30 HydrophobicContact CD1-CG 4.16Å; F26-E30 WeakPolarHBondContact CD1-OE2 3.49Å; F26-E30 HydrophobicContact CE1-CG 3.92Å; F26-E30 WeakPolarHBondContact CE1-OE1 3.42Å; F26-E30 WeakPolarHBondContact CE1-OE2 3.4Å; F26-E30 HydrophobicContact CE2-CG 4.44Å; F26-E30 VanDerWaalsContact CZ-CD 3.42Å; F26-E30 HydrophobicContact CZ-CG 4.04Å; F26-E30 WeakPolarHBondContact CZ-OE1 3.49Å; F26-E30 WeakPolarHBondContact O-CG 3.43Å; F26-E30 PolarHBondContact O-N 3.14Å; K27-E30 PolarHBondContact O-N 3.18Å; E30-P32 WeakPolarHBondContact O-CD 3.4Å
31A86Confident91Very high54 Ų54112.4 Ų112.445%0.44652%0.518SS..SBendtrans-67119.4178.900000109.8K27 R29K27-A31 WeakPolarHBondContact O-CB 3.37Å; K27-A31 PolarHBondContact O-N 2.93Å; K27-A31 VanDerWaalsContact O-N 3.07Å; R29-A31 VanDerWaalsContact C-N 3.35Å
32P88.2Confident91.1Very high59 Ų59106.2 Ų106.238%0.38349%0.491SS..  trans-70.4143.2179.828.8-33.5000110.6E30 I34 W43E30-P32 WeakPolarHBondContact O-CD 3.4Å; P32-I34 HydrophobicContact CB-CG1 4.37Å; P32-I34 HydrophobicContact CG-CD1 4.29Å; P32-I34 HydrophobicContact CG-CG1 4.2Å; P32-I34 PolarHBondContact O-N 3.43Å; P32-W43 HydrophobicContact CG-CH2 3.91Å; P32-W43 HydrophobicContact CG-CZ2 3.56Å
33R92.4Very high91.3Very high232 Ų232104.6 Ų104.688%0.87548%0.48SS*.  trans-79.2115164.7-176.9177.3177.6172.8-1.8107.8
34I93.6Very high91.4Very high31 Ų3199.7 Ų99.716%0.15946%0.462CS..  trans-105.9119.6-176.9-55.6170.1000108.4P32 I39 R40 W43P32-I34 HydrophobicContact CB-CG1 4.37Å; P32-I34 HydrophobicContact CG-CD1 4.29Å; P32-I34 HydrophobicContact CG-CG1 4.2Å; P32-I34 PolarHBondContact O-N 3.43Å; I34-I39 HydrophobicContact CD1-CG2 4.35Å; I34-I39 HydrophobicContact CG2-CB 4.01Å; I34-I39 HydrophobicContact CG2-CG2 3.86Å; I34-R40 HydrophobicContact CB-CB 4.26Å; I34-R40 HydrophobicContact CG2-CB 3.97Å; I34-W43 HydrophobicContact CD1-CB 4.04Å; I34-W43 HydrophobicContact CD1-CD2 3.39Å; I34-W43 HydrophobicContact CD1-CE3 3.48Å; I34-W43 VanDerWaalsContact CD1-CE3 3.48Å; I34-W43 HydrophobicContact CD1-CG 3.64Å; I34-W43 HydrophobicContact CD1-CZ2 4.47Å; I34-W43 HydrophobicContact CD1-CZ3 4.06Å
35E95.1Very high91.4Very high167 Ų16799.2 Ų99.278%0.7847%0.467SS*.  trans-85.6-43.5179.7-64.6-178.6170.700111.9P37E35-P37 WeakPolarHBondContact O-CD 3.41Å
36C94.6Very high91.3Very high34 Ų34104.4 Ų104.423%0.2349%0.488CS..  trans-60.2118.4177.81680000111.3Q38 I39 R40C36-Q38 PolarHBondContact O-N 3Å; C36-Q38 PolarHBondContact SG-OE1 3.4Å; C36-I39 HydrophobicContact CB-CB 4.4Å; C36-I39 HydrophobicContact CB-CD1 4.22Å; C36-I39 HydrophobicContact CB-CG1 4.43Å; C36-R40 WeakPolarHBondContact O-CB 3.45Å; C36-R40 PolarHBondContact O-N 2.99Å
37P95.4Very high91.5Very high75 Ų75101.6 Ų101.649%0.48748%0.475SS..Hα-helixtrans-65.8-36.8-175.823-30.7000112.6E35 I39 R40 N41E35-P37 WeakPolarHBondContact O-CD 3.41Å; P37-I39 PolarHBondContact O-N 3.42Å; P37-R40 PolarHBondContact O-N 2.93Å; P37-N41 WeakPolarHBondContact O-CB 3.49Å; P37-N41 PolarHBondContact O-N 3.29Å; P37-N41 PolarHBondContact O-ND2 2.91Å; P37-N41 PolarHBondContact O-OD1 3.43Å
38Q95.1Very high91.7Very high25 Ų2599.3 Ų99.312%0.11748%0.475CS..Hα-helixtrans-59.5-49.3-180-58.290.6-35.100111.2C36 A42 V93 E96 L97 E100C36-Q38 PolarHBondContact O-N 3Å; C36-Q38 PolarHBondContact SG-OE1 3.4Å; Q38-A42 WeakPolarHBondContact O-CB 3.24Å; Q38-A42 PolarHBondContact O-N 3.15Å; Q38-V93 HydrophobicContact CB-CG1 4.37Å; Q38-E96 HydrophobicContact CG-CB 4.02Å; Q38-E96 VanDerWaalsContact CG-OE2 3.3Å; Q38-E96 WeakPolarHBondContact CG-OE2 3.41Å; Q38-L97 HydrophobicContact CB-CD2 4.45Å; Q38-E100 PolarHBondContact NE2-OE2 2.98Å
39I94.9Very high91.9Very high31 Ų3193.6 Ų93.616%0.15945%0.454CS..Hα-helixtrans-68-41.3178.1-63.7173.5000110.2I34 C36 P37 N41 A42 W43 M56 L58 V93 L97I34-I39 HydrophobicContact CD1-CG2 4.35Å; I34-I39 HydrophobicContact CG2-CB 4.01Å; I34-I39 HydrophobicContact CG2-CG2 3.86Å; C36-I39 HydrophobicContact CB-CB 4.4Å; C36-I39 HydrophobicContact CB-CD1 4.22Å; C36-I39 HydrophobicContact CB-CG1 4.43Å; P37-I39 PolarHBondContact O-N 3.42Å; I39-N41 PolarHBondContact O-N 3.46Å; I39-A42 CarbonylContact O-C 3.54Å; I39-A42 PolarHBondContact O-N 3.41Å; I39-W43 HydrophobicContact CG2-CE3 4.3Å; I39-W43 WeakPolarHBondContact O-CB 3.33Å; I39-W43 PolarHBondContact O-N 3.28Å; I39-M56 HydrophobicContact CB-SD 4.44Å; I39-M56 HydrophobicContact CG1-SD 4.45Å; I39-M56 HydrophobicContact CG2-CE 4.26Å; I39-M56 HydrophobicContact CG2-SD 3.93Å; I39-L58 HydrophobicContact CD1-CD1 3.87Å; I39-L58 HydrophobicContact CG1-CD1 4.24Å; I39-V93 HydrophobicContact CG1-CG1 4.15Å; I39-L97 HydrophobicContact CD1-CD1 4.33Å; I39-L97 HydrophobicContact CG1-CD1 4.3Å
40R95.1Very high92.1Very high169 Ų16984 Ų8464%0.63842%0.423SS*.Hα-helixtrans-61.6-44.3180-173.5175.3179.4178.6-3.1111.9I34 C36 P37 A42 W43I34-R40 HydrophobicContact CB-CB 4.26Å; I34-R40 HydrophobicContact CG2-CB 3.97Å; C36-R40 WeakPolarHBondContact O-CB 3.45Å; C36-R40 PolarHBondContact O-N 2.99Å; P37-R40 PolarHBondContact O-N 2.93Å; R40-A42 VanDerWaalsContact C-N 3.29Å; R40-A42 PolarHBondContact O-N 2.83Å; R40-W43 VanDerWaalsContact O-CB 3.31Å; R40-W43 WeakPolarHBondContact O-CB 3.39Å; R40-W43 PolarHBondContact O-N 2.87Å
41N94.2Very high92.5Very high135 Ų13584 Ų8472%0.72242%0.418SS*.Hα-helixtrans-65-35.3178.1-68.5-16000111.6P37 I39 W43P37-N41 WeakPolarHBondContact O-CB 3.49Å; P37-N41 PolarHBondContact O-N 3.29Å; P37-N41 PolarHBondContact O-ND2 2.91Å; P37-N41 PolarHBondContact O-OD1 3.43Å; I39-N41 PolarHBondContact O-N 3.46Å; N41-W43 VanDerWaalsContact C-N 3.34Å
42A94.8Very high92.9Very high1 Ų181.5 Ų81.51%0.00840%0.397CS..Hα-helixtrans-83.5-7177.400000113.9Q38 I39 R40 M56 K90 Y92 V93Q38-A42 WeakPolarHBondContact O-CB 3.24Å; Q38-A42 PolarHBondContact O-N 3.15Å; I39-A42 CarbonylContact O-C 3.54Å; I39-A42 PolarHBondContact O-N 3.41Å; R40-A42 VanDerWaalsContact C-N 3.29Å; R40-A42 PolarHBondContact O-N 2.83Å; A42-M56 HydrophobicContact CB-CE 3.47Å; A42-M56 VanDerWaalsContact CB-CE 3.47Å; A42-M56 HydrophobicContact CB-CG 4.4Å; A42-M56 HydrophobicContact CB-SD 4.14Å; A42-M56 VanDerWaalsContact O-CE 3.28Å; A42-M56 WeakPolarHBondContact O-CE 3.32Å; A42-K90 HydrophobicContact CB-CD 4.2Å; A42-K90 PolarHBondContact O-NZ 2.99Å; A42-Y92 HydrophobicContact CB-CE2 4.27Å; A42-Y92 VanDerWaalsContact CB-OH 3.28Å; A42-Y92 WeakPolarHBondContact CB-OH 3.45Å; A42-V93 HydrophobicContact CB-CG2 3.4Å
43W94.4Very high93.1Very high47 Ų4780 Ų8018%0.17839%0.386CS..  trans-71.2147.2-174.5-166.4-100.8000112.8P32 I34 I39 R40 N41 V49 N52 L53 M56P32-W43 HydrophobicContact CG-CH2 3.91Å; P32-W43 HydrophobicContact CG-CZ2 3.56Å; I34-W43 HydrophobicContact CD1-CB 4.04Å; I34-W43 HydrophobicContact CD1-CD2 3.39Å; I34-W43 HydrophobicContact CD1-CE3 3.48Å; I34-W43 VanDerWaalsContact CD1-CE3 3.48Å; I34-W43 HydrophobicContact CD1-CG 3.64Å; I34-W43 HydrophobicContact CD1-CZ2 4.47Å; I34-W43 HydrophobicContact CD1-CZ3 4.06Å; I39-W43 HydrophobicContact CG2-CE3 4.3Å; I39-W43 WeakPolarHBondContact O-CB 3.33Å; I39-W43 PolarHBondContact O-N 3.28Å; R40-W43 VanDerWaalsContact O-CB 3.31Å; R40-W43 WeakPolarHBondContact O-CB 3.39Å; R40-W43 PolarHBondContact O-N 2.87Å; N41-W43 VanDerWaalsContact C-N 3.34Å; W43-V49 HydrophobicContact CH2-CB 4.06Å; W43-V49 HydrophobicContact CH2-CG1 3.97Å; W43-V49 HydrophobicContact CH2-CG2 3.98Å; W43-V49 HydrophobicContact CZ2-CG2 4.02Å; W43-N52 HydrophobicContact CD2-CB 4.28Å; W43-N52 VanDerWaalsContact CE2-ND2 3.31Å; W43-N52 HydrophobicContact CE3-CB 3.77Å; W43-N52 HydrophobicContact CH2-CB 3.95Å; W43-N52 HydrophobicContact CZ2-CB 4.42Å; W43-N52 WeakPolarHBondContact CZ2-ND2 3.48Å; W43-N52 HydrophobicContact CZ3-CB 3.59Å; W43-L53 HydrophobicContact CZ3-CD2 4.4Å; W43-M56 HydrophobicContact CE3-CE 4.13Å
44S92.7Very high93Very high31 Ų3176.2 Ų76.222%0.21737%0.371CS..  trans-133.8114.4176.1153.10000111.1K46 K47 N52S44-K46 PolarHBondContact O-N 3.2Å; S44-K46 VanDerWaalsContact O-N 3.08Å; S44-K47 PolarHBondContact O-N 3.41Å; S44-N52 PolarHBondContact O-ND2 3.4Å; S44-N52 PolarHBondContact O-OD1 3.11Å
45D89.6Confident93Very high139 Ų13975.2 Ų75.274%0.74337%0.366SS*.THydrogen-bonded Turntrans-63.9-17.1-179.3-60.2-25.3000114.4K47D45-K47 VanDerWaalsContact C-N 3.31Å
46K89.6Confident93Very high207 Ų20767.3 Ų67.390%0.933%0.329SS*.THydrogen-bonded Turntrans-78.7-15.5177.8-63.3-177.9-177.4176.20112.9S44S44-K46 PolarHBondContact O-N 3.2Å; S44-K46 VanDerWaalsContact O-N 3.08Å
47K91.1Very high92.8Very high63 Ų6367.2 Ų67.227%0.27433%0.334SS..SBendtrans-108.2154.2-176-67.6177.2-176.9177.30109.9S44 D45 R51 N52 D55S44-K47 PolarHBondContact O-N 3.41Å; D45-K47 VanDerWaalsContact C-N 3.31Å; K47-R51 HydrophobicContact CB-CB 4.45Å; K47-R51 HydrophobicContact CD-CG 4.39Å; K47-N52 WeakPolarHBondContact CB-OD1 3.28Å; K47-D55 IonicContact NZ-OD2 3.01Å; K47-D55 PolarHBondContact NZ-OD2 3.35Å
48S90.5Very high92.6Very high74 Ų7465.9 Ų65.952%0.51732%0.323SS..  trans-68.3155.3171.662.70000111A50 R51 N52S48-A50 VanDerWaalsContact C-N 3.28Å; S48-A50 PolarHBondContact O-N 2.98Å; S48-R51 PolarHBondContact O-N 3.02Å; S48-R51 WeakPolarHBondContact OG-CB 3.46Å; S48-R51 PolarHBondContact OG-N 3.01Å; S48-N52 PolarHBondContact O-N 3.14Å
49V90.9Very high92.4Very high52 Ų5267.7 Ų67.732%0.31534%0.342SS..Hα-helixtrans-49.9-50.6175.9175.40000110.8W43 R51 N52 L53 F60W43-V49 HydrophobicContact CH2-CB 4.06Å; W43-V49 HydrophobicContact CH2-CG1 3.97Å; W43-V49 HydrophobicContact CH2-CG2 3.98Å; W43-V49 HydrophobicContact CZ2-CG2 4.02Å; V49-R51 VanDerWaalsContact C-N 3.28Å; V49-R51 PolarHBondContact O-N 3.38Å; V49-N52 PolarHBondContact O-N 3.45Å; V49-L53 HydrophobicContact CG1-CD1 4.15Å; V49-L53 WeakPolarHBondContact O-CG 3.42Å; V49-L53 PolarHBondContact O-N 3.04Å; V49-F60 HydrophobicContact CB-CD2 4.41Å; V49-F60 HydrophobicContact CB-CE2 4.03Å; V49-F60 HydrophobicContact CG1-CD2 3.75Å; V49-F60 HydrophobicContact CG1-CE2 3.56Å
50A91.3Very high92.2Very high23 Ų2372.2 Ų72.219%0.1936%0.361CS..Hα-helixtrans-60.9-33.5-179.900000113.9S48 R54 F60S48-A50 VanDerWaalsContact C-N 3.28Å; S48-A50 PolarHBondContact O-N 2.98Å; A50-R54 VanDerWaalsContact O-CB 3.27Å; A50-R54 WeakPolarHBondContact O-CB 3.37Å; A50-R54 PolarHBondContact O-N 2.96Å; A50-R54 VanDerWaalsContact O-N 3.12Å; A50-F60 HydrophobicContact CB-CB 3.93Å; A50-F60 HydrophobicContact CB-CD1 3.78Å; A50-F60 HydrophobicContact CB-CD2 3.83Å; A50-F60 HydrophobicContact CB-CE1 4.25Å; A50-F60 HydrophobicContact CB-CE2 4.29Å; A50-F60 HydrophobicContact CB-CG 3.54Å; A50-F60 HydrophobicContact CB-CZ 4.48Å
51R92.5Very high92Very high114 Ų11467.4 Ų67.443%0.4335%0.348SS..Hα-helixtrans-77.5-39.3177.5-172.6173.3-172.7156.33.1111.6K47 S48 V49 R54 D55K47-R51 HydrophobicContact CB-CB 4.45Å; K47-R51 HydrophobicContact CD-CG 4.39Å; S48-R51 PolarHBondContact O-N 3.02Å; S48-R51 WeakPolarHBondContact OG-CB 3.46Å; S48-R51 PolarHBondContact OG-N 3.01Å; V49-R51 VanDerWaalsContact C-N 3.28Å; V49-R51 PolarHBondContact O-N 3.38Å; R51-R54 PolarHBondContact O-N 3.32Å; R51-D55 WeakPolarHBondContact O-CB 3.48Å; R51-D55 PolarHBondContact O-N 3.13Å
52N93.9Very high91.6Very high2 Ų265.1 Ų65.11%0.01134%0.34CS..Hα-helixtrans-59.9-50174.7-79.4-33.2000110.9W43 S44 K47 S48 V49 R54 D55 M56W43-N52 HydrophobicContact CD2-CB 4.28Å; W43-N52 VanDerWaalsContact CE2-ND2 3.31Å; W43-N52 HydrophobicContact CE3-CB 3.77Å; W43-N52 HydrophobicContact CH2-CB 3.95Å; W43-N52 HydrophobicContact CZ2-CB 4.42Å; W43-N52 WeakPolarHBondContact CZ2-ND2 3.48Å; W43-N52 HydrophobicContact CZ3-CB 3.59Å; S44-N52 PolarHBondContact O-ND2 3.4Å; S44-N52 PolarHBondContact O-OD1 3.11Å; K47-N52 WeakPolarHBondContact CB-OD1 3.28Å; S48-N52 PolarHBondContact O-N 3.14Å; V49-N52 PolarHBondContact O-N 3.45Å; N52-R54 PolarHBondContact O-N 2.92Å; N52-D55 PolarHBondContact O-N 3.3Å; N52-M56 WeakPolarHBondContact O-CG 3.32Å; N52-M56 PolarHBondContact O-N 3.33Å; N52-M56 VanDerWaalsContact O-N 3.07Å
53L92.4Very high91.3Very high28 Ų2870.1 Ų70.115%0.14737%0.366CS..Hα-helixtrans-61.4-45.4178.1-66.4179.5000111.4W43 V49 D55 M56 G57 L58 F60W43-L53 HydrophobicContact CZ3-CD2 4.4Å; V49-L53 HydrophobicContact CG1-CD1 4.15Å; V49-L53 WeakPolarHBondContact O-CG 3.42Å; V49-L53 PolarHBondContact O-N 3.04Å; L53-D55 VanDerWaalsContact C-N 3.33Å; L53-D55 PolarHBondContact O-N 2.79Å; L53-M56 CarbonylContact O-C 3.3Å; L53-M56 WeakPolarHBondContact O-CA 3.42Å; L53-M56 PolarHBondContact O-N 3.21Å; L53-M56 VanDerWaalsContact O-N 3.1Å; L53-G57 PolarHBondContact O-N 3.5Å; L53-L58 CarbonylContact C-O 3.56Å; L53-L58 VanDerWaalsContact C-O 3.3Å; L53-L58 HydrophobicContact CB-CB 4Å; L53-L58 HydrophobicContact CD2-CB 4.03Å; L53-L58 HydrophobicContact CD2-CD1 3.81Å; L53-L58 PolarHBondContact O-N 3.4Å; L53-F60 HydrophobicContact CD1-CB 4.22Å; L53-F60 HydrophobicContact CD1-CD2 3.99Å
54R92.1Very high90.9Very high153 Ų15377.9 Ų77.958%0.57740%0.396SS*.Hα-helixtrans-59.7-41.9175.7-173.3-173-57.7139.84112.8A50 R51 N52 M56 G57A50-R54 VanDerWaalsContact O-CB 3.27Å; A50-R54 WeakPolarHBondContact O-CB 3.37Å; A50-R54 PolarHBondContact O-N 2.96Å; A50-R54 VanDerWaalsContact O-N 3.12Å; R51-R54 PolarHBondContact O-N 3.32Å; N52-R54 PolarHBondContact O-N 2.92Å; R54-M56 PolarHBondContact O-N 2.79Å; R54-G57 PolarHBondContact O-N 2.92Å
55D93.7Very high90.5Very high10 Ų1078.9 Ų78.95%0.05341%0.406CS..Hα-helixtrans-63.4-32.8178.4-75.4-5.9000111.2K47 R51 N52 L53 G57 V88 R89 K90K47-D55 IonicContact NZ-OD2 3.01Å; K47-D55 PolarHBondContact NZ-OD2 3.35Å; R51-D55 WeakPolarHBondContact O-CB 3.48Å; R51-D55 PolarHBondContact O-N 3.13Å; N52-D55 PolarHBondContact O-N 3.3Å; L53-D55 VanDerWaalsContact C-N 3.33Å; L53-D55 PolarHBondContact O-N 2.79Å; D55-G57 VanDerWaalsContact C-N 3.33Å; D55-V88 WeakPolarHBondContact O-CG1 3.33Å; D55-R89 HydrophobicContact CB-CB 4.29Å; D55-R89 PolarHBondContact O-N 2.86Å; D55-R89 VanDerWaalsContact O-N 3.11Å; D55-R89 WeakPolarHBondContact OD1-CD 3.47Å; D55-R89 IonicContact OD1-NE 2.59Å; D55-K90 WeakPolarHBondContact O-CB 3.39Å; D55-K90 PolarHBondContact O-N 3.39Å
56M93.6Very high90.2Very high1 Ų178.8 Ų78.81%0.00541%0.405CS..THydrogen-bonded Turntrans-81.9-6.1172.2-60.4175.6-164.700113.4I39 A42 W43 N52 L53 R54 L58 V93 L94I39-M56 HydrophobicContact CB-SD 4.44Å; I39-M56 HydrophobicContact CG1-SD 4.45Å; I39-M56 HydrophobicContact CG2-CE 4.26Å; I39-M56 HydrophobicContact CG2-SD 3.93Å; A42-M56 HydrophobicContact CB-CE 3.47Å; A42-M56 VanDerWaalsContact CB-CE 3.47Å; A42-M56 HydrophobicContact CB-CG 4.4Å; A42-M56 HydrophobicContact CB-SD 4.14Å; A42-M56 VanDerWaalsContact O-CE 3.28Å; A42-M56 WeakPolarHBondContact O-CE 3.32Å; W43-M56 HydrophobicContact CE3-CE 4.13Å; N52-M56 WeakPolarHBondContact O-CG 3.32Å; N52-M56 PolarHBondContact O-N 3.33Å; N52-M56 VanDerWaalsContact O-N 3.07Å; L53-M56 CarbonylContact O-C 3.3Å; L53-M56 WeakPolarHBondContact O-CA 3.42Å; L53-M56 PolarHBondContact O-N 3.21Å; L53-M56 VanDerWaalsContact O-N 3.1Å; R54-M56 PolarHBondContact O-N 2.79Å; M56-L58 VanDerWaalsContact C-N 3.35Å; M56-L58 HydrophobicContact CB-CD1 4.35Å; M56-L58 HydrophobicContact CB-CG 4.32Å; M56-V93 HydrophobicContact CB-CB 4.41Å; M56-V93 HydrophobicContact CB-CG1 4.45Å; M56-V93 HydrophobicContact CG-CB 4.45Å; M56-V93 HydrophobicContact CG-CG1 4.45Å; M56-V93 HydrophobicContact CG-CG2 4.17Å; M56-V93 HydrophobicContact SD-CG1 4.21Å; M56-L94 WeakPolarHBondContact O-CD1 3.4Å; M56-L94 WeakPolarHBondContact O-CG 3.46Å
57G90.8Very high89.9Confident32 Ų3273.3 Ų73.333%0.3339%0.39SS..THydrogen-bonded Turntrans79.414.6-176.800000114.6L53 R54 D55L53-G57 PolarHBondContact O-N 3.5Å; R54-G57 PolarHBondContact O-N 2.92Å; D55-G57 VanDerWaalsContact C-N 3.33Å
58L91.6Very high89.4Confident47 Ų4776.7 Ų76.725%0.24641%0.41CS..  trans-91.6147.7175.1-62.1173.6000111.7I39 L53 M56 L94I39-L58 HydrophobicContact CD1-CD1 3.87Å; I39-L58 HydrophobicContact CG1-CD1 4.24Å; L53-L58 CarbonylContact C-O 3.56Å; L53-L58 VanDerWaalsContact C-O 3.3Å; L53-L58 HydrophobicContact CB-CB 4Å; L53-L58 HydrophobicContact CD2-CB 4.03Å; L53-L58 HydrophobicContact CD2-CD1 3.81Å; L53-L58 PolarHBondContact O-N 3.4Å; M56-L58 VanDerWaalsContact C-N 3.35Å; M56-L58 HydrophobicContact CB-CD1 4.35Å; M56-L58 HydrophobicContact CB-CG 4.32Å; L58-L94 HydrophobicContact CD2-CD2 3.73Å; L58-L94 HydrophobicContact CG-CD2 4.44Å
59A91.6Very high88.7Confident63 Ų6380.8 Ų80.852%0.52142%0.418SS..  trans-77.3132.2173.800000110.9A65A59-A65 HydrophobicContact CB-CB 3.67Å
60F90.6Very high87.6Confident126 Ų12682.8 Ų82.855%0.55343%0.431SS*.SBendtrans-80.4-38.2172.2173.9-107.6000112.7V49 A50 L53V49-F60 HydrophobicContact CB-CD2 4.41Å; V49-F60 HydrophobicContact CB-CE2 4.03Å; V49-F60 HydrophobicContact CG1-CD2 3.75Å; V49-F60 HydrophobicContact CG1-CE2 3.56Å; A50-F60 HydrophobicContact CB-CB 3.93Å; A50-F60 HydrophobicContact CB-CD1 3.78Å; A50-F60 HydrophobicContact CB-CD2 3.83Å; A50-F60 HydrophobicContact CB-CE1 4.25Å; A50-F60 HydrophobicContact CB-CE2 4.29Å; A50-F60 HydrophobicContact CB-CG 3.54Å; A50-F60 HydrophobicContact CB-CZ 4.48Å; L53-F60 HydrophobicContact CD1-CB 4.22Å; L53-F60 HydrophobicContact CD1-CD2 3.99Å
61D89.4Confident86.3Confident68 Ų6890.2 Ų90.236%0.36447%0.466SS..  trans-125.6113.6179.4177.4-0.1000108.1N63 R64 A65D61-N63 VanDerWaalsContact C-N 3.33Å; D61-N63 PolarHBondContact O-N 3.35Å; D61-N63 PolarHBondContact OD1-N 3Å; D61-R64 HydrophobicContact CB-CB 3.98Å; D61-R64 PolarHBondContact O-N 3Å; D61-A65 PolarHBondContact O-N 3.17Å; D61-A65 VanDerWaalsContact O-N 3.1Å
62P87.4Confident84.8Confident86 Ų8688.9 Ų88.956%0.55847%0.471SS*.Hα-helixtrans-64.7-36-177.626.1-33.6000112R64 A65 L66P62-R64 VanDerWaalsContact C-N 3.26Å; P62-R64 PolarHBondContact O-N 3.14Å; P62-A65 PolarHBondContact O-N 3.3Å; P62-A65 VanDerWaalsContact O-N 3.16Å; P62-L66 PolarHBondContact O-N 3.42Å
63N87.4Confident83.1Confident106 Ų10699.1 Ų99.157%0.56752%0.516SS*.Hα-helixtrans-69-28.8-179.2-67.8-31.1000111.9D61 L66 P67D61-N63 VanDerWaalsContact C-N 3.33Å; D61-N63 PolarHBondContact O-N 3.35Å; D61-N63 PolarHBondContact OD1-N 3Å; N63-L66 CarbonylContact O-C 3.42Å; N63-P67 VanDerWaalsContact O-CA 3.31Å; N63-P67 WeakPolarHBondContact O-CA 3.12Å
64R85.7Confident81.4Confident210 Ų210102 Ų10279%0.79254%0.544SS*.Hα-helixtrans-77.7-34.3173.4-175.8176.1177.2168.93.6112.4D61 P62D61-R64 HydrophobicContact CB-CB 3.98Å; D61-R64 PolarHBondContact O-N 3Å; P62-R64 VanDerWaalsContact C-N 3.26Å; P62-R64 PolarHBondContact O-N 3.14Å
65A84.7Confident79.6Confident52 Ų5297 Ų9743%0.4354%0.535SS..Hα-helixtrans-76.7-39.2178.900000112A59 D61 P62A59-A65 HydrophobicContact CB-CB 3.67Å; D61-A65 PolarHBondContact O-N 3.17Å; D61-A65 VanDerWaalsContact O-N 3.1Å; P62-A65 PolarHBondContact O-N 3.3Å; P62-A65 VanDerWaalsContact O-N 3.16Å
66L83.6Confident77.7Confident138 Ų138103.1 Ų103.172%0.72357%0.573SS**SBendtrans-127.680.2-178.8-60.9177.4000108.8P62 N63 I68P62-L66 PolarHBondContact O-N 3.42Å; N63-L66 CarbonylContact O-C 3.42Å; L66-I68 PolarHBondContact O-N 3.42Å
67P82.6Confident75.6Confident92 Ų92107.3 Ų107.360%0.59761%0.608SS**  trans-64.7127.8179.926.4-33.3000110.6N63 K69N63-P67 VanDerWaalsContact O-CA 3.31Å; N63-P67 WeakPolarHBondContact O-CA 3.12Å; P67-K69 PolarHBondContact O-N 3.03Å
68I80.2Confident73.8Confident133 Ų133116.1 Ų116.168%0.68263%0.631SS**  trans-65.2109.3174.4-59172.4000107.8L66 T70L66-I68 PolarHBondContact O-N 3.42Å; I68-T70 HydrophobicContact CG2-CG2 4.47Å; I68-T70 PolarHBondContact O-N 3.03Å
69K75.8Confident72Confident160 Ų160120.3 Ų120.370%0.69666%0.658SS**  trans-70.693.8173.9-63.6-175.1179.6-173.40107.9P67 L71 E80P67-K69 PolarHBondContact O-N 3.03Å; K69-L71 PolarHBondContact O-N 2.87Å; K69-E80 IonicContact NZ-OE1 2.68Å; K69-E80 PolarHBondContact NZ-OE1 3.27Å; K69-E80 VanDerWaalsContact NZ-OE1 3.09Å
70T68.7Low70.4Confident94 Ų94124.8 Ų124.858%0.57767%0.669SS**  trans-71.4123.6167.251.80000108.2I68 T72I68-T70 HydrophobicContact CG2-CG2 4.47Å; I68-T70 PolarHBondContact O-N 3.03Å; T70-T72 PolarHBondContact O-N 2.91Å
71L63.3Low68.7Low179 Ų179127.5 Ų127.594%0.93768%0.683SS**  trans-69.875.2177.2-63.6172.3000109.4K69K69-L71 PolarHBondContact O-N 2.87Å
72T62.1Low67Low86 Ų86128.2 Ų128.253%0.52870%0.699SS.*  trans-97138.6164.351.40000107.6T70 A74 A75T70-T72 PolarHBondContact O-N 2.91Å; T72-A74 PolarHBondContact O-N 3.09Å; T72-A75 WeakPolarHBondContact O-CB 3.46Å; T72-A75 PolarHBondContact O-N 3.35Å
73F57.5Low65.5Low217 Ų217129.9 Ų129.995%0.95271%0.71SS**THydrogen-bonded Turntrans-54.6-18.4-173.2-133.4-91.7000114.2
74A57.3Low64.1Low88 Ų88130.5 Ų130.573%0.72772%0.717SS**THydrogen-bonded Turntrans-87.4-6.2178.100000115.1T72 V76T72-A74 PolarHBondContact O-N 3.09Å; A74-V76 PolarHBondContact O-N 3.03Å
75A53Low62.7Low49 Ų49128.8 Ų128.841%0.40572%0.723SS.*G310 helixtrans-84-5.3-173.600000114.7T72 A77T72-A75 WeakPolarHBondContact O-CB 3.46Å; T72-A75 PolarHBondContact O-N 3.35Å; A75-A77 PolarHBondContact O-N 2.95Å
76V54Low61.9Low139 Ų139134.6 Ų134.684%0.84274%0.738SS**G310 helixtrans-70-14.2-178.7-176.80000112.6A74A74-V76 PolarHBondContact O-N 3.03Å
77A49.6Very low61.7Low89 Ų89136.8 Ų136.874%0.73674%0.742SS**G310 helixtrans-104.829.7-17500000114.7A75A75-A77 PolarHBondContact O-N 2.95Å
78R53.4Low61.9Low217 Ų217134.4 Ų134.482%0.81973%0.726SS**  trans-104.898.3170.3-69.7-172-176-174.32.7109.8E80R78-E80 PolarHBondContact O-N 3.28Å
79T53.2Low62.4Low134 Ų134135 Ų13582%0.82272%0.72SS**  trans-48.1120.3168.1-32.40000109.1E81T79-E81 VanDerWaalsContact C-N 3.32Å; T79-E81 PolarHBondContact O-N 3.48Å
80E58.5Low63.2Low157 Ų157129.7 Ų129.773%0.73470%0.697SS**  trans-70.790.6176.3-61.4-169.3152.100107.8K69 R78 A82K69-E80 IonicContact NZ-OE1 2.68Å; K69-E80 PolarHBondContact NZ-OE1 3.27Å; K69-E80 VanDerWaalsContact NZ-OE1 3.09Å; R78-E80 PolarHBondContact O-N 3.28Å; E80-A82 PolarHBondContact O-N 2.99Å
81E54.5Low64.4Low183 Ų183128.4 Ų128.486%0.85569%0.69SS**  trans-60.7122.6169.7-68.8-155.2175.700108.6T79T79-E81 VanDerWaalsContact C-N 3.32Å; T79-E81 PolarHBondContact O-N 3.48Å
82A55.1Low65.9Low84 Ų84124.5 Ų124.569%0.69466%0.663SS**  trans-49.1132.4-179.300000110E80 T84E80-A82 PolarHBondContact O-N 2.99Å; A82-T84 PolarHBondContact O-N 3.45Å
83P55.6Low67.5Low121 Ų121120.4 Ų120.479%0.78664%0.638SS**  trans-62.7108.1-176.923.7-30.8000108.6L85P83-L85 PolarHBondContact O-N 2.96Å; P83-L85 VanDerWaalsContact O-N 3.09Å
84T57.8Low69.2Low118 Ų118112.4 Ų112.472%0.72461%0.605SS**  trans-51.2121168.8450000108.1A82 K86A82-T84 PolarHBondContact O-N 3.45Å; T84-K86 PolarHBondContact O-N 3.49Å
85L56.7Low71Confident174 Ų174113.4 Ų113.491%0.91160%0.598SS**  trans-60.7100.3-179.6-67.2172.7000108.1P83 F87P83-L85 PolarHBondContact O-N 2.96Å; P83-L85 VanDerWaalsContact O-N 3.09Å; L85-F87 PolarHBondContact O-N 2.89Å
86K68Low73.1Confident174 Ų174115.2 Ų115.276%0.75760%0.598SS**  trans-69108.4179.1-68173.6-172.4160.40107.3T84 V88T84-K86 PolarHBondContact O-N 3.49Å; K86-V88 PolarHBondContact O-N 3.22Å; K86-V88 VanDerWaalsContact O-N 3.1Å
87F78.2Confident75.1Confident184 Ų184110.5 Ų110.581%0.80757%0.568SS**  trans-57.7115175-179.2-96.1000110.5L85 R89L85-F87 PolarHBondContact O-N 2.89Å; F87-R89 HydrophobicContact CD1-CG 4.44Å; F87-R89 HydrophobicContact CE1-CG 4.28Å
88V86.6Confident77.2Confident43 Ų43109.9 Ų109.926%0.26156%0.555SS.*  trans-89.5126.2178-178.90000108.8D55 K86 P91D55-V88 WeakPolarHBondContact O-CG1 3.33Å; K86-V88 PolarHBondContact O-N 3.22Å; K86-V88 VanDerWaalsContact O-N 3.1Å; V88-P91 HydrophobicContact CG1-CB 4.45Å
89R91.2Very high79.2Confident146 Ų146102.4 Ų102.455%0.55154%0.539SS*.SBendtrans-78.5-32.3-177.6-65.8-174.2178.6-153.3-6113.1D55 F87 P91D55-R89 HydrophobicContact CB-CB 4.29Å; D55-R89 PolarHBondContact O-N 2.86Å; D55-R89 VanDerWaalsContact O-N 3.11Å; D55-R89 WeakPolarHBondContact OD1-CD 3.47Å; D55-R89 IonicContact OD1-NE 2.59Å; F87-R89 HydrophobicContact CD1-CG 4.44Å; F87-R89 HydrophobicContact CE1-CG 4.28Å; R89-P91 VanDerWaalsContact C-CD 3.42Å; R89-P91 WeakPolarHBondContact O-CD 3.44Å
90K93.8Very high81.2Confident48 Ų48101.1 Ų101.121%0.20952%0.524CS..  trans-123.967.2-175.8-62.4-171.9174-156.40110.1A42 D55 Y92 V93A42-K90 HydrophobicContact CB-CD 4.2Å; A42-K90 PolarHBondContact O-NZ 2.99Å; D55-K90 WeakPolarHBondContact O-CB 3.39Å; D55-K90 PolarHBondContact O-N 3.39Å; K90-Y92 HydrophobicContact CB-CD1 4.1Å; K90-Y92 HydrophobicContact CB-CE1 3.56Å; K90-Y92 HydrophobicContact CD-CE1 4.17Å; K90-Y92 HydrophobicContact CG-CE1 3.87Å; K90-Y92 PolarHBondContact O-N 3.19Å; K90-V93 HydrophobicContact CB-CG2 4.4Å
91P93.1Very high82.9Confident66 Ų6697.5 Ų97.543%0.42952%0.521SS..Hα-helixtrans-68-24.4-17628.9-35.8000112.9V88 R89 V93 L94 N95V88-P91 HydrophobicContact CG1-CB 4.45Å; R89-P91 VanDerWaalsContact C-CD 3.42Å; R89-P91 WeakPolarHBondContact O-CD 3.44Å; P91-V93 PolarHBondContact O-N 2.59Å; P91-L94 PolarHBondContact O-N 2.9Å; P91-L94 VanDerWaalsContact O-N 3.11Å; P91-N95 PolarHBondContact O-N 2.99Å
92Y95.2Very high84.9Confident97 Ų9794.6 Ų94.638%0.3851%0.512SS..Hα-helixtrans-55.7-36.3-179.567-89.9000113.1A42 K90 L94 N95 E96A42-Y92 HydrophobicContact CB-CE2 4.27Å; A42-Y92 VanDerWaalsContact CB-OH 3.28Å; A42-Y92 WeakPolarHBondContact CB-OH 3.45Å; K90-Y92 HydrophobicContact CB-CD1 4.1Å; K90-Y92 HydrophobicContact CB-CE1 3.56Å; K90-Y92 HydrophobicContact CD-CE1 4.17Å; K90-Y92 HydrophobicContact CG-CE1 3.87Å; K90-Y92 PolarHBondContact O-N 3.19Å; Y92-L94 PolarHBondContact O-N 3.32Å; Y92-N95 PolarHBondContact O-N 3.26Å; Y92-E96 WeakPolarHBondContact O-CG 3.3Å; Y92-E96 PolarHBondContact O-N 3.24Å
93V95.6Very high86.7Confident0 Ų096.3 Ų96.30%051%0.508CS..Hα-helixtrans-62.6-43.3179.2-176.70000111.2Q38 I39 A42 M56 K90 P91 L97Q38-V93 HydrophobicContact CB-CG1 4.37Å; I39-V93 HydrophobicContact CG1-CG1 4.15Å; A42-V93 HydrophobicContact CB-CG2 3.4Å; M56-V93 HydrophobicContact CB-CB 4.41Å; M56-V93 HydrophobicContact CB-CG1 4.45Å; M56-V93 HydrophobicContact CG-CB 4.45Å; M56-V93 HydrophobicContact CG-CG1 4.45Å; M56-V93 HydrophobicContact CG-CG2 4.17Å; M56-V93 HydrophobicContact SD-CG1 4.21Å; K90-V93 HydrophobicContact CB-CG2 4.4Å; P91-V93 PolarHBondContact O-N 2.59Å; V93-L97 HydrophobicContact CG1-CD1 4.08Å; V93-L97 WeakPolarHBondContact O-CB 3.26Å; V93-L97 VanDerWaalsContact O-CG 3.23Å; V93-L97 WeakPolarHBondContact O-CG 3.37Å; V93-L97 PolarHBondContact O-N 3.27Å
94L93.6Very high88.4Confident50 Ų5096.3 Ų96.326%0.26251%0.508SS..Hα-helixtrans-65.5-43.3177-78.2172000111.2M56 L58 P91 Y92 E96 L97 V98M56-L94 WeakPolarHBondContact O-CD1 3.4Å; M56-L94 WeakPolarHBondContact O-CG 3.46Å; L58-L94 HydrophobicContact CD2-CD2 3.73Å; L58-L94 HydrophobicContact CG-CD2 4.44Å; P91-L94 PolarHBondContact O-N 2.9Å; P91-L94 VanDerWaalsContact O-N 3.11Å; Y92-L94 PolarHBondContact O-N 3.32Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-E96 PolarHBondContact O-N 3.09Å; L94-L97 PolarHBondContact O-N 3.5Å; L94-V98 WeakPolarHBondContact O-CB 3.45Å; L94-V98 VanDerWaalsContact O-CG2 3.23Å; L94-V98 WeakPolarHBondContact O-CG2 3.43Å; L94-V98 PolarHBondContact O-N 3.11Å
95N94.9Very high89.8Confident109 Ų10999.5 Ų99.558%0.58352%0.515SS*.Hα-helixtrans-61.7-42.5-179.6-64.6-9.7000111.3P91 Y92 V98 A99P91-N95 PolarHBondContact O-N 2.99Å; Y92-N95 PolarHBondContact O-N 3.26Å; N95-V98 PolarHBondContact O-N 2.92Å; N95-A99 VanDerWaalsContact O-CB 3.26Å; N95-A99 WeakPolarHBondContact O-CB 3.49Å; N95-A99 PolarHBondContact O-N 3.21Å
96E96.4Very high91Very high87 Ų87100.4 Ų100.441%0.40751%0.512SS..Hα-helixtrans-63.6-44.7175.5-71.5169-163.500112Q38 Y92 L94 A99 E100Q38-E96 HydrophobicContact CG-CB 4.02Å; Q38-E96 VanDerWaalsContact CG-OE2 3.3Å; Q38-E96 WeakPolarHBondContact CG-OE2 3.41Å; Y92-E96 WeakPolarHBondContact O-CG 3.3Å; Y92-E96 PolarHBondContact O-N 3.24Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-E96 PolarHBondContact O-N 3.09Å; E96-A99 PolarHBondContact O-N 3.24Å; E96-E100 WeakPolarHBondContact O-CB 3.32Å; E96-E100 PolarHBondContact O-N 3.25Å
97L95.3Very high91.5Very high39 Ų3997.6 Ų97.620%0.20451%0.505CS..Hα-helixtrans-64.7-40.9178-72.1173.1000112.2Q38 I39 V93 L94 E100 A101Q38-L97 HydrophobicContact CB-CD2 4.45Å; I39-L97 HydrophobicContact CD1-CD1 4.33Å; I39-L97 HydrophobicContact CG1-CD1 4.3Å; V93-L97 HydrophobicContact CG1-CD1 4.08Å; V93-L97 WeakPolarHBondContact O-CB 3.26Å; V93-L97 VanDerWaalsContact O-CG 3.23Å; V93-L97 WeakPolarHBondContact O-CG 3.37Å; V93-L97 PolarHBondContact O-N 3.27Å; L94-L97 PolarHBondContact O-N 3.5Å; L97-E100 PolarHBondContact O-N 3.09Å; L97-A101 VanDerWaalsContact O-CB 3.28Å; L97-A101 WeakPolarHBondContact O-CB 3.28Å; L97-A101 PolarHBondContact O-N 3.42Å
98V95.4Very high91.8Very high77 Ų7794.7 Ų94.747%0.46750%0.503SS..Hα-helixtrans-66.7-41.9176.2169.50000110.3L94 N95 A101 N102L94-V98 WeakPolarHBondContact O-CB 3.45Å; L94-V98 VanDerWaalsContact O-CG2 3.23Å; L94-V98 WeakPolarHBondContact O-CG2 3.43Å; L94-V98 PolarHBondContact O-N 3.11Å; N95-V98 PolarHBondContact O-N 2.92Å; V98-A101 PolarHBondContact O-N 3.4Å; V98-N102 WeakPolarHBondContact CG1-ND2 3.29Å; V98-N102 VanDerWaalsContact O-CB 3.3Å; V98-N102 WeakPolarHBondContact O-CB 3.44Å; V98-N102 PolarHBondContact O-N 3.29Å; V98-N102 PolarHBondContact O-ND2 2.92Å; V98-N102 VanDerWaalsContact O-ND2 3.11Å
99A95.5Very high91.6Very high59 Ų5998.8 Ų98.849%0.48852%0.517SS..Hα-helixtrans-61.8-44.4176.400000111.8N95 E96 N102 L103N95-A99 VanDerWaalsContact O-CB 3.26Å; N95-A99 WeakPolarHBondContact O-CB 3.49Å; N95-A99 PolarHBondContact O-N 3.21Å; E96-A99 PolarHBondContact O-N 3.24Å; A99-N102 PolarHBondContact O-N 3.38Å; A99-L103 PolarHBondContact O-N 3.04Å
100E94.4Very high91.4Very high108 Ų10897 Ų9751%0.50552%0.522SS..Hα-helixtrans-63.8-45.3175.7-174.9178.7-161.800111.9Q38 E96 L97 N102 L103Q38-E100 PolarHBondContact NE2-OE2 2.98Å; E96-E100 WeakPolarHBondContact O-CB 3.32Å; E96-E100 PolarHBondContact O-N 3.25Å; L97-E100 PolarHBondContact O-N 3.09Å; E100-N102 VanDerWaalsContact C-N 3.28Å; E100-N102 PolarHBondContact O-N 2.88Å; E100-L103 VanDerWaalsContact O-CB 3.29Å; E100-L103 WeakPolarHBondContact O-CB 3.28Å; E100-L103 WeakPolarHBondContact O-CG 3.36Å; E100-L103 PolarHBondContact O-N 2.89Å; E100-L103 VanDerWaalsContact O-N 3.14Å
101A93.9Very high91.3Very high81 Ų8195.8 Ų95.867%0.66952%0.518SS*.Hα-helixtrans-67.4-27.5179.700000113.6L97 V98 L103L97-A101 VanDerWaalsContact O-CB 3.28Å; L97-A101 WeakPolarHBondContact O-CB 3.28Å; L97-A101 PolarHBondContact O-N 3.42Å; V98-A101 PolarHBondContact O-N 3.4Å; A101-L103 VanDerWaalsContact C-N 3.25Å; A101-L103 PolarHBondContact O-N 2.76Å
102N95.6Very high91.3Very high122 Ų12296 Ų9665%0.65252%0.521SS*.THydrogen-bonded Turntrans-79.7-5.8176-74-27.6000113.1V98 A99 E100V98-N102 WeakPolarHBondContact CG1-ND2 3.29Å; V98-N102 VanDerWaalsContact O-CB 3.3Å; V98-N102 WeakPolarHBondContact O-CB 3.44Å; V98-N102 PolarHBondContact O-N 3.29Å; V98-N102 PolarHBondContact O-ND2 2.92Å; V98-N102 VanDerWaalsContact O-ND2 3.11Å; A99-N102 PolarHBondContact O-N 3.38Å; E100-N102 VanDerWaalsContact C-N 3.28Å; E100-N102 PolarHBondContact O-N 2.88Å
103L93.7Very high91.2Very high119 Ų11995.9 Ų95.962%0.62353%0.531SS*.SBendtrans-64.5130174.5-66.7174.4000109.3A99 E100 A101 E105A99-L103 PolarHBondContact O-N 3.04Å; E100-L103 VanDerWaalsContact O-CB 3.29Å; E100-L103 WeakPolarHBondContact O-CB 3.28Å; E100-L103 WeakPolarHBondContact O-CG 3.36Å; E100-L103 PolarHBondContact O-N 2.89Å; E100-L103 VanDerWaalsContact O-N 3.14Å; A101-L103 VanDerWaalsContact C-N 3.25Å; A101-L103 PolarHBondContact O-N 2.76Å; L103-E105 PolarHBondContact O-N 3.19Å
104P91.6Very high91.1Very high121 Ų121101.5 Ų101.579%0.78656%0.56SS**PPolyproline II helixtrans-66.4127.3177.527.2-33.2000109.7
105E86.2Confident91.1Very high186 Ų186100.5 Ų100.587%0.86956%0.555SS**PPolyproline II helixtrans-71.7143.5170.3-67.7-175.1178.200110.1L103 D107L103-E105 PolarHBondContact O-N 3.19Å; E105-D107 PolarHBondContact O-N 3.25Å
106K82.6Confident91.1Very high192 Ų19296.3 Ų96.384%0.83553%0.532SS*.PPolyproline II helixtrans-73122.8173.8-65.9-177.2179.4-177.50108.9T108K106-T108 PolarHBondContact O-N 3.2Å
107D79.3Confident91.1Very high116 Ų11698.2 Ų98.262%0.6254%0.541SS*.  trans-66.5104.2169.6-88.7-26000109E105 K109E105-D107 PolarHBondContact O-N 3.25Å; D107-K109 VanDerWaalsContact C-N 3.26Å
108T82.9Confident91.1Very high123 Ų12397.8 Ų97.876%0.75554%0.537SS*.  trans-88.59.1176.354.90000113.1K106 T110K106-T108 PolarHBondContact O-N 3.2Å; T108-T110 PolarHBondContact O-N 3.11Å
109K82.6Confident91Very high129 Ų12994.1 Ų94.156%0.56152%0.515SS*.  trans-73.7114.9-175.9-66.1173.7-173.9161.40109.7D107 C158D107-K109 VanDerWaalsContact C-N 3.26Å; K109-C158 PolarHBondContact O-SG 2.88Å
110T88.3Confident91Very high108 Ų10893.2 Ų93.266%0.66350%0.501SS*.  trans-111.6170.2174.7550000111T108T108-T110 PolarHBondContact O-N 3.11Å
111L90.3Very high91Very high22 Ų2292.2 Ų92.212%0.11549%0.493CS..  trans-114.9155.2172.9-67.1177.4000111L115 I116 Q154 Y155 C158L111-L115 HydrophobicContact CB-CD2 4.39Å; L111-L115 HydrophobicContact CD1-CD2 4.15Å; L111-L115 HydrophobicContact CD2-CD2 3.64Å; L111-L115 HydrophobicContact CG-CD2 4.28Å; L111-I116 HydrophobicContact CB-CD1 4.26Å; L111-I116 HydrophobicContact CB-CG1 4.1Å; L111-Q154 HydrophobicContact CD1-CG 4.21Å; L111-Q154 VanDerWaalsContact CD2-CD 3.4Å; L111-Q154 HydrophobicContact CD2-CG 3.58Å; L111-Q154 HydrophobicContact CG-CG 4.38Å; L111-Y155 VanDerWaalsContact CD1-CA 3.41Å; L111-Y155 HydrophobicContact CD1-CD2 4.2Å; L111-C158 HydrophobicContact CD1-CB 4.13Å; L111-C158 HydrophobicContact CG-CB 3.93Å
112S93.5Very high91.1Very high71 Ų7188.3 Ų88.350%0.49746%0.461SS..  trans-66.4147.7169.656.50000110.8D114 L115 I116S112-D114 VanDerWaalsContact C-N 3.29Å; S112-D114 PolarHBondContact O-N 3.34Å; S112-L115 PolarHBondContact O-N 3.43Å; S112-L115 WeakPolarHBondContact OG-CB 3.45Å; S112-I116 WeakPolarHBondContact O-CG1 3.38Å; S112-I116 PolarHBondContact O-N 2.95Å
113T93.8Very high91Very high95 Ų9583.2 Ų83.258%0.58343%0.434SS*.Hα-helixtrans-54.6-45.5175.746.50000111.5L115 I116 E117T113-L115 VanDerWaalsContact C-N 3.27Å; T113-L115 PolarHBondContact O-N 3.49Å; T113-I116 WeakPolarHBondContact O-CA 3.39Å; T113-I116 WeakPolarHBondContact O-CB 3.5Å; T113-I116 PolarHBondContact O-N 3.49Å; T113-E117 WeakPolarHBondContact O-CG 3.3Å; T113-E117 PolarHBondContact O-N 3.45Å
114D94Very high91.1Very high117 Ų11783.7 Ų83.763%0.62643%0.427SS*.Hα-helixtrans-60.5-36.4-178.5-60.314.2000112.5S112 Y118S112-D114 VanDerWaalsContact C-N 3.29Å; S112-D114 PolarHBondContact O-N 3.34Å; D114-Y118 VanDerWaalsContact O-CB 3.28Å; D114-Y118 WeakPolarHBondContact O-CB 3.37Å; D114-Y118 PolarHBondContact O-N 2.95Å
115L93.7Very high91.2Very high30 Ų3083.7 Ų83.716%0.15742%0.417CS..Hα-helixtrans-70.2-38.8177.8-177.764.6000110.8L111 S112 T113 V119 K151L111-L115 HydrophobicContact CB-CD2 4.39Å; L111-L115 HydrophobicContact CD1-CD2 4.15Å; L111-L115 HydrophobicContact CD2-CD2 3.64Å; L111-L115 HydrophobicContact CG-CD2 4.28Å; S112-L115 PolarHBondContact O-N 3.43Å; S112-L115 WeakPolarHBondContact OG-CB 3.45Å; T113-L115 VanDerWaalsContact C-N 3.27Å; T113-L115 PolarHBondContact O-N 3.49Å; L115-V119 WeakPolarHBondContact O-CB 3.26Å; L115-V119 VanDerWaalsContact O-CG2 3.29Å; L115-V119 WeakPolarHBondContact O-CG2 3.4Å; L115-V119 PolarHBondContact O-N 3.32Å; L115-K151 HydrophobicContact CD1-CB 4.16Å; L115-K151 HydrophobicContact CD1-CD 3.75Å; L115-K151 HydrophobicContact CD1-CG 3.95Å
116I95.1Very high91.5Very high20 Ų2076.9 Ų76.910%0.10339%0.385CS..Hα-helixtrans-64.3-48.7176.5-63.4168.1000109.6L111 S112 T113 Y118 V119 Q120 Y155L111-I116 HydrophobicContact CB-CD1 4.26Å; L111-I116 HydrophobicContact CB-CG1 4.1Å; S112-I116 WeakPolarHBondContact O-CG1 3.38Å; S112-I116 PolarHBondContact O-N 2.95Å; T113-I116 WeakPolarHBondContact O-CA 3.39Å; T113-I116 WeakPolarHBondContact O-CB 3.5Å; T113-I116 PolarHBondContact O-N 3.49Å; I116-Y118 PolarHBondContact O-N 3.4Å; I116-V119 PolarHBondContact O-N 2.92Å; I116-Q120 HydrophobicContact CG2-CG 4.27Å; I116-Q120 WeakPolarHBondContact O-CB 3.29Å; I116-Q120 VanDerWaalsContact O-CG 3.32Å; I116-Q120 WeakPolarHBondContact O-CG 3.35Å; I116-Q120 PolarHBondContact O-N 3.5Å; I116-Y155 HydrophobicContact CB-CE2 4.29Å; I116-Y155 HydrophobicContact CD1-CE2 4.31Å; I116-Y155 HydrophobicContact CG1-CD2 3.92Å; I116-Y155 HydrophobicContact CG1-CE2 3.89Å; I116-Y155 HydrophobicContact CG2-CD2 4.31Å; I116-Y155 HydrophobicContact CG2-CE1 4.48Å; I116-Y155 HydrophobicContact CG2-CE2 3.61Å
117E94.9Very high91.8Very high127 Ų12771.4 Ų71.459%0.59337%0.371SS*.Hα-helixtrans-60.4-44.3178-71.1179.8-170.500112.1T113 V119 Q120 Y121T113-E117 WeakPolarHBondContact O-CG 3.3Å; T113-E117 PolarHBondContact O-N 3.45Å; E117-V119 PolarHBondContact O-N 3.49Å; E117-Q120 PolarHBondContact O-N 3.37Å; E117-Y121 WeakPolarHBondContact O-CB 3.23Å; E117-Y121 PolarHBondContact O-N 3.1Å
118Y95.2Very high92.3Very high30 Ų3072.4 Ų72.412%0.11837%0.372CS..Hα-helixtrans-58.2-48174.6170-95.9000111.7D114 I116 Y121 M122 K138 N139 K151D114-Y118 VanDerWaalsContact O-CB 3.28Å; D114-Y118 WeakPolarHBondContact O-CB 3.37Å; D114-Y118 PolarHBondContact O-N 2.95Å; I116-Y118 PolarHBondContact O-N 3.4Å; Y118-Y121 PolarHBondContact O-N 2.84Å; Y118-M122 HydrophobicContact CD2-CE 4.17Å; Y118-M122 HydrophobicContact CE1-CG 4.17Å; Y118-M122 HydrophobicContact CE2-CE 3.35Å; Y118-M122 HydrophobicContact CE2-CG 4.19Å; Y118-M122 VanDerWaalsContact O-CG 3.32Å; Y118-M122 WeakPolarHBondContact O-CG 3.28Å; Y118-M122 PolarHBondContact O-N 3.04Å; Y118-K138 HydrophobicContact CD2-CG 4.41Å; Y118-N139 PolarHBondContact OH-OD1 3.07Å; Y118-K151 HydrophobicContact CD1-CD 4.47Å; Y118-K151 HydrophobicContact CE1-CD 4.06Å
119V94.9Very high92.9Very high1 Ų170.6 Ų70.61%0.00636%0.357CS..Hα-helixtrans-65.4-44.3179.71660000111.3L115 I116 E117 Y121 M122 I123 K151 V152 Y155L115-V119 WeakPolarHBondContact O-CB 3.26Å; L115-V119 VanDerWaalsContact O-CG2 3.29Å; L115-V119 WeakPolarHBondContact O-CG2 3.4Å; L115-V119 PolarHBondContact O-N 3.32Å; I116-V119 PolarHBondContact O-N 2.92Å; E117-V119 PolarHBondContact O-N 3.49Å; V119-Y121 VanDerWaalsContact C-N 3.33Å; V119-Y121 PolarHBondContact O-N 2.92Å; V119-M122 PolarHBondContact O-N 3.14Å; V119-I123 HydrophobicContact CG1-CD1 3.68Å; V119-I123 HydrophobicContact CG1-CG1 4.39Å; V119-I123 VanDerWaalsContact O-CG1 3.28Å; V119-I123 WeakPolarHBondContact O-CG1 3.31Å; V119-I123 PolarHBondContact O-N 3.05Å; V119-K151 HydrophobicContact CG2-CB 4.06Å; V119-V152 HydrophobicContact CG1-CB 4.46Å; V119-V152 HydrophobicContact CG1-CG2 3.92Å; V119-V152 HydrophobicContact CG2-CG2 4.47Å; V119-Y155 HydrophobicContact CB-CD1 4.49Å; V119-Y155 HydrophobicContact CG1-CD1 3.68Å; V119-Y155 HydrophobicContact CG1-CE1 4.48Å; V119-Y155 HydrophobicContact CG1-CG 4.29Å
120Q94.8Very high93.5Very high40 Ų4066.5 Ų66.519%0.18734%0.339CS..Hα-helixtrans-61-42.6177.4-75.1-179.40.100111.5I116 E117 I123 R124 Y155 F166I116-Q120 HydrophobicContact CG2-CG 4.27Å; I116-Q120 WeakPolarHBondContact O-CB 3.29Å; I116-Q120 VanDerWaalsContact O-CG 3.32Å; I116-Q120 WeakPolarHBondContact O-CG 3.35Å; I116-Q120 PolarHBondContact O-N 3.5Å; E117-Q120 PolarHBondContact O-N 3.37Å; Q120-I123 PolarHBondContact O-N 2.84Å; Q120-R124 WeakPolarHBondContact O-CB 3.43Å; Q120-R124 WeakPolarHBondContact O-CG 3.3Å; Q120-R124 PolarHBondContact O-N 3.32Å; Q120-Y155 HydrophobicContact CG-CE1 4.26Å; Q120-Y155 PolarHBondContact NE2-OH 3.18Å; Q120-Y155 VanDerWaalsContact NE2-OH 3.09Å; Q120-F166 HydrophobicContact CB-CD2 4.37Å; Q120-F166 HydrophobicContact CB-CE2 3.74Å; Q120-F166 HydrophobicContact CB-CZ 3.84Å; Q120-F166 HydrophobicContact CG-CD1 4.42Å; Q120-F166 HydrophobicContact CG-CD2 3.94Å; Q120-F166 HydrophobicContact CG-CE1 4.33Å; Q120-F166 HydrophobicContact CG-CE2 3.81Å; Q120-F166 HydrophobicContact CG-CG 4.23Å; Q120-F166 HydrophobicContact CG-CZ 4.03Å; Q120-F166 WeakPolarHBondContact O-CZ 3.39Å
121Y95.3Very high93.8Very high86 Ų8668.3 Ų68.334%0.33734%0.337SS..Hα-helixtrans-59.6-50174.3175.1-99.3000111.7E117 Y118 V119 I123 R124 E125 D136 K138E117-Y121 WeakPolarHBondContact O-CB 3.23Å; E117-Y121 PolarHBondContact O-N 3.1Å; Y118-Y121 PolarHBondContact O-N 2.84Å; V119-Y121 VanDerWaalsContact C-N 3.33Å; V119-Y121 PolarHBondContact O-N 2.92Å; Y121-I123 VanDerWaalsContact C-N 3.28Å; Y121-I123 PolarHBondContact O-N 2.78Å; Y121-R124 WeakPolarHBondContact O-CB 3.35Å; Y121-R124 PolarHBondContact O-N 3.06Å; Y121-R124 VanDerWaalsContact O-N 3.14Å; Y121-E125 HydrophobicContact CD2-CG 4.26Å; Y121-E125 HydrophobicContact CE1-CG 4.33Å; Y121-E125 HydrophobicContact CE2-CG 3.74Å; Y121-E125 PolarHBondContact O-N 3.45Å; Y121-E125 VanDerWaalsContact O-N 3.1Å; Y121-D136 WeakPolarHBondContact CE1-OD1 3.37Å; Y121-K138 HydrophobicContact CD1-CB 3.88Å; Y121-K138 HydrophobicContact CD1-CG 3.85Å; Y121-K138 HydrophobicContact CE1-CB 3.5Å; Y121-K138 VanDerWaalsContact CE1-CB 3.5Å; Y121-K138 HydrophobicContact CE1-CG 3.92Å
122M94.4Very high94Very high0 Ų068.5 Ų68.50%034%0.342CS..Hα-helixtrans-59.5-39.6-179.9-72.6-64.1173.200112.4Y118 V119 H126 M133 D136 K138 N139Y118-M122 HydrophobicContact CD2-CE 4.17Å; Y118-M122 HydrophobicContact CE1-CG 4.17Å; Y118-M122 HydrophobicContact CE2-CE 3.35Å; Y118-M122 HydrophobicContact CE2-CG 4.19Å; Y118-M122 VanDerWaalsContact O-CG 3.32Å; Y118-M122 WeakPolarHBondContact O-CG 3.28Å; Y118-M122 PolarHBondContact O-N 3.04Å; V119-M122 PolarHBondContact O-N 3.14Å; M122-H126 WeakPolarHBondContact O-CB 3.48Å; M122-H126 PolarHBondContact O-N 3.26Å; M122-M133 HydrophobicContact CB-CE 4.17Å; M122-M133 HydrophobicContact CB-CG 4.08Å; M122-M133 HydrophobicContact CB-SD 4.05Å; M122-M133 WeakPolarHBondContact O-CE 3.5Å; M122-M133 HydrophobicContact SD-CB 3.85Å; M122-M133 HydrophobicContact SD-CG 4.06Å; M122-D136 HydrophobicContact CE-CB 3.92Å; M122-D136 HydrophobicContact SD-CB 4.05Å; M122-K138 HydrophobicContact CE-CB 3.94Å; M122-N139 HydrophobicContact CE-CB 4.06Å
123I94.8Very high94.1Very high15 Ų1565.1 Ų65.18%0.07732%0.319CS..Hα-helixtrans-72.7-35.5178.8-64.3171.9000111.6V119 Q120 Y121 S127 M133 V152 Y163 F166 L170V119-I123 HydrophobicContact CG1-CD1 3.68Å; V119-I123 HydrophobicContact CG1-CG1 4.39Å; V119-I123 VanDerWaalsContact O-CG1 3.28Å; V119-I123 WeakPolarHBondContact O-CG1 3.31Å; V119-I123 PolarHBondContact O-N 3.05Å; Q120-I123 PolarHBondContact O-N 2.84Å; Y121-I123 VanDerWaalsContact C-N 3.28Å; Y121-I123 PolarHBondContact O-N 2.78Å; I123-S127 VanDerWaalsContact O-CA 3.23Å; I123-S127 WeakPolarHBondContact O-CA 3.23Å; I123-S127 PolarHBondContact O-N 3.34Å; I123-M133 HydrophobicContact CG1-CE 4.4Å; I123-V152 HydrophobicContact CD1-CG1 4.12Å; I123-V152 HydrophobicContact CD1-CG2 4.37Å; I123-Y163 HydrophobicContact CD1-CE2 3.73Å; I123-F166 HydrophobicContact CB-CE1 3.95Å; I123-F166 HydrophobicContact CB-CZ 4.24Å; I123-F166 HydrophobicContact CD1-CE1 4.4Å; I123-F166 HydrophobicContact CG2-CE1 3.72Å; I123-F166 HydrophobicContact CG2-CZ 4.27Å; I123-L170 HydrophobicContact CG2-CD1 4.11Å
124R94.2Very high94.2Very high129 Ų12962 Ų6249%0.48730%0.302SS..Hα-helixtrans-59.7-49.6175-81.8176.1-176.415912.2111.8Q120 Y121 F166 L170Q120-R124 WeakPolarHBondContact O-CB 3.43Å; Q120-R124 WeakPolarHBondContact O-CG 3.3Å; Q120-R124 PolarHBondContact O-N 3.32Å; Y121-R124 WeakPolarHBondContact O-CB 3.35Å; Y121-R124 PolarHBondContact O-N 3.06Å; Y121-R124 VanDerWaalsContact O-N 3.14Å; R124-F166 HydrophobicContact CG-CE2 3.97Å; R124-F166 HydrophobicContact CG-CZ 3.87Å; R124-L170 HydrophobicContact CG-CD1 4.45Å; R124-L170 HydrophobicContact CG-CD2 3.76Å
125E94.1Very high94.3Very high121 Ų12166.1 Ų66.157%0.56531%0.309SS*.Hα-helixtrans-82.6-44.3-173.7-62.1-56.4135.900112.7Y121Y121-E125 HydrophobicContact CD2-CG 4.26Å; Y121-E125 HydrophobicContact CE1-CG 4.33Å; Y121-E125 HydrophobicContact CE2-CG 3.74Å; Y121-E125 PolarHBondContact O-N 3.45Å; Y121-E125 VanDerWaalsContact O-N 3.1Å
126H92.6Very high94.4Very high42 Ų4266 Ų6619%0.19431%0.309CS..Hα-helixtrans-113.91-167.8-59.2-71.1000114.1M122 E128 N129 A132 M133 D136M122-H126 WeakPolarHBondContact O-CB 3.48Å; M122-H126 PolarHBondContact O-N 3.26Å; H126-E128 PolarHBondContact O-N 3.05Å; H126-N129 WeakPolarHBondContact O-CB 3.48Å; H126-N129 PolarHBondContact O-N 2.65Å; H126-A132 HydrophobicContact CB-CB 4.32Å; H126-M133 HydrophobicContact CB-CE 4.19Å; H126-M133 HydrophobicContact CB-CG 3.56Å; H126-D136 IonicContact CD2-OD2 3.71Å; H126-D136 IonicContact CE1-OD2 3.82Å; H126-D136 IonicContact NE2-OD2 3.09Å; H126-D136 PolarHBondContact NE2-OD2 3.44Å
127S89.5Confident94.3Very high78 Ų7874.1 Ų74.155%0.54535%0.346SS..THydrogen-bonded Turntrans53.9-113.8179.767.20000113.7I123 M133I123-S127 VanDerWaalsContact O-CA 3.23Å; I123-S127 WeakPolarHBondContact O-CA 3.23Å; I123-S127 PolarHBondContact O-N 3.34Å; S127-M133 WeakPolarHBondContact O-CE 3.46Å
128E89.3Confident94.1Very high136 Ų13674.3 Ų74.364%0.63635%0.345SS*.THydrogen-bonded Turntrans-105.211.2176-62.4-170160.300112.8H126 Y130H126-E128 PolarHBondContact O-N 3.05Å; E128-Y130 WeakPolarHBondContact O-CD2 3.47Å; E128-Y130 WeakPolarHBondContact O-CE2 3.34Å; E128-Y130 PolarHBondContact O-N 3.27Å; E128-Y130 VanDerWaalsContact O-N 3.1Å
129N95.3Very high94.1Very high85 Ų8573.4 Ų73.446%0.45534%0.342SS..  trans-86.281.8-179.5-167.7-9.7000112.2H126 K131 A132 M133H126-N129 WeakPolarHBondContact O-CB 3.48Å; H126-N129 PolarHBondContact O-N 2.65Å; N129-K131 PolarHBondContact O-N 3.11Å; N129-K131 VanDerWaalsContact O-N 3.12Å; N129-K131 PolarHBondContact OD1-N 2.81Å; N129-A132 HydrophobicContact CB-CB 4.14Å; N129-A132 WeakPolarHBondContact O-CB 3.2Å; N129-A132 PolarHBondContact O-N 2.98Å; N129-A132 PolarHBondContact OD1-N 2.96Å; N129-M133 PolarHBondContact O-N 3.16Å; N129-M133 VanDerWaalsContact O-N 3.11Å
130Y94.9Very high94.1Very high44 Ų4482.2 Ų82.217%0.17338%0.377CS..Hα-helixtrans-60.8-23.6-179.4-54.2-69000114.6E128 M133 A134 I148 R149 V152E128-Y130 WeakPolarHBondContact O-CD2 3.47Å; E128-Y130 WeakPolarHBondContact O-CE2 3.34Å; E128-Y130 PolarHBondContact O-N 3.27Å; E128-Y130 VanDerWaalsContact O-N 3.1Å; Y130-M133 HydrophobicContact CD1-CE 4.4Å; Y130-M133 HydrophobicContact CD1-SD 3.61Å; Y130-M133 HydrophobicContact CE1-SD 4.17Å; Y130-M133 HydrophobicContact CG-SD 4.47Å; Y130-A134 PolarHBondContact O-N 3.47Å; Y130-I148 HydrophobicContact CD1-CG2 4.31Å; Y130-R149 HydrophobicContact CD1-CB 4Å; Y130-R149 HydrophobicContact CD2-CB 4.42Å; Y130-R149 HydrophobicContact CE1-CB 3.91Å; Y130-R149 HydrophobicContact CE1-CG 4.19Å; Y130-R149 HydrophobicContact CE2-CB 4.32Å; Y130-R149 HydrophobicContact CE2-CG 4.11Å; Y130-R149 HydrophobicContact CG-CB 4.25Å; Y130-V152 HydrophobicContact CE1-CG2 4.22Å
131K95.9Very high94Very high145 Ų14589.2 Ų89.263%0.6340%0.403SS*.Hα-helixtrans-74.4-28.6175.9-71.9-177.9-180177.10112.2N129 R135 P145N129-K131 PolarHBondContact O-N 3.11Å; N129-K131 VanDerWaalsContact O-N 3.12Å; N129-K131 PolarHBondContact OD1-N 2.81Å; K131-R135 PolarHBondContact O-NH1 3.34Å; K131-P145 HydrophobicContact CG-CG 4.46Å
132A95Very high93.9Very high27 Ų2793 Ų9322%0.22342%0.423CS..Hα-helixtrans-77.5-44.5173.200000110.2H126 N129 A134 R135 D136H126-A132 HydrophobicContact CB-CB 4.32Å; N129-A132 HydrophobicContact CB-CB 4.14Å; N129-A132 WeakPolarHBondContact O-CB 3.2Å; N129-A132 PolarHBondContact O-N 2.98Å; N129-A132 PolarHBondContact OD1-N 2.96Å; A132-A134 PolarHBondContact O-N 3.05Å; A132-R135 WeakPolarHBondContact O-CA 3.28Å; A132-R135 PolarHBondContact O-N 2.8Å; A132-D136 PolarHBondContact O-N 3.33Å
133M95.1Very high94Very high0 Ų094 Ų940%043%0.429CS..Hα-helixtrans-54.5-38.4175.3-64.1173.1177.800113.2M122 I123 H126 S127 N129 Y130 R135 D136 I148M122-M133 HydrophobicContact CB-CE 4.17Å; M122-M133 HydrophobicContact CB-CG 4.08Å; M122-M133 HydrophobicContact CB-SD 4.05Å; M122-M133 WeakPolarHBondContact O-CE 3.5Å; M122-M133 HydrophobicContact SD-CB 3.85Å; M122-M133 HydrophobicContact SD-CG 4.06Å; I123-M133 HydrophobicContact CG1-CE 4.4Å; H126-M133 HydrophobicContact CB-CE 4.19Å; H126-M133 HydrophobicContact CB-CG 3.56Å; S127-M133 WeakPolarHBondContact O-CE 3.46Å; N129-M133 PolarHBondContact O-N 3.16Å; N129-M133 VanDerWaalsContact O-N 3.11Å; Y130-M133 HydrophobicContact CD1-CE 4.4Å; Y130-M133 HydrophobicContact CD1-SD 3.61Å; Y130-M133 HydrophobicContact CE1-SD 4.17Å; Y130-M133 HydrophobicContact CG-SD 4.47Å; M133-R135 PolarHBondContact O-N 3.1Å; M133-D136 VanDerWaalsContact O-CB 3.26Å; M133-D136 WeakPolarHBondContact O-CB 3.45Å; M133-D136 PolarHBondContact O-N 2.7Å; M133-I148 HydrophobicContact CB-CD1 3.82Å; M133-I148 HydrophobicContact CB-CG2 4.13Å; M133-I148 HydrophobicContact SD-CG2 3.59Å; M133-I148 VanDerWaalsContact SD-CG2 3.59Å
134A95.9Very high94.1Very high28 Ų2896.3 Ų96.323%0.23144%0.444CS..THydrogen-bonded Turntrans-67.1-25.2178.700000113.4Y130 A132 N139 P145 I148Y130-A134 PolarHBondContact O-N 3.47Å; A132-A134 PolarHBondContact O-N 3.05Å; A134-N139 WeakPolarHBondContact CA-ND2 3.43Å; A134-N139 PolarHBondContact O-ND2 3.1Å; A134-P145 HydrophobicContact CB-CG 3.77Å; A134-I148 HydrophobicContact CB-CD1 4.1Å
135R94.9Very high94.2Very high205 Ų20592.6 Ų92.677%0.77444%0.436SS*.THydrogen-bonded Turntrans-91.9-5.1177.8-66.8-174.3173.589.5-5.7113.2K131 A132 M133K131-R135 PolarHBondContact O-NH1 3.34Å; A132-R135 WeakPolarHBondContact O-CA 3.28Å; A132-R135 PolarHBondContact O-N 2.8Å; M133-R135 PolarHBondContact O-N 3.1Å
136D95.8Very high94.4Very high27 Ų2790.1 Ų90.114%0.14443%0.432CS..SBendtrans-69.1147.1-178-173.4-91.6000111.8Y121 M122 H126 A132 M133 K138 N139Y121-D136 WeakPolarHBondContact CE1-OD1 3.37Å; M122-D136 HydrophobicContact CE-CB 3.92Å; M122-D136 HydrophobicContact SD-CB 4.05Å; H126-D136 IonicContact CD2-OD2 3.71Å; H126-D136 IonicContact CE1-OD2 3.82Å; H126-D136 IonicContact NE2-OD2 3.09Å; H126-D136 PolarHBondContact NE2-OD2 3.44Å; A132-D136 PolarHBondContact O-N 3.33Å; M133-D136 VanDerWaalsContact O-CB 3.26Å; M133-D136 WeakPolarHBondContact O-CB 3.45Å; M133-D136 PolarHBondContact O-N 2.7Å; D136-K138 VanDerWaalsContact C-N 3.27Å; D136-K138 PolarHBondContact O-N 3.2Å; D136-K138 WeakPolarHBondContact OD1-CA 3.36Å; D136-K138 WeakPolarHBondContact OD1-CB 3.36Å; D136-K138 PolarHBondContact OD1-N 3.47Å; D136-N139 VanDerWaalsContact O-CB 3.3Å; D136-N139 WeakPolarHBondContact O-CB 3.27Å; D136-N139 PolarHBondContact O-N 3.02Å; D136-N139 VanDerWaalsContact O-N 3.13Å
137E93.4Very high94.6Very high191 Ų19192 Ų9289%0.89344%0.441SS*.THydrogen-bonded Turntrans-65.2-30.8-177.9-61.5-177.8176.500112.8N139E137-N139 PolarHBondContact O-N 2.68Å
138K91.8Very high94.8Very high131 Ų13188.3 Ų88.357%0.5742%0.415SS*.THydrogen-bonded Turntrans-72.2-13.9178.5-162.466.1175.1-1780112.1Y118 Y121 M122 D136 Y140Y118-K138 HydrophobicContact CD2-CG 4.41Å; Y121-K138 HydrophobicContact CD1-CB 3.88Å; Y121-K138 HydrophobicContact CD1-CG 3.85Å; Y121-K138 HydrophobicContact CE1-CB 3.5Å; Y121-K138 VanDerWaalsContact CE1-CB 3.5Å; Y121-K138 HydrophobicContact CE1-CG 3.92Å; M122-K138 HydrophobicContact CE-CB 3.94Å; D136-K138 VanDerWaalsContact C-N 3.27Å; D136-K138 PolarHBondContact O-N 3.2Å; D136-K138 WeakPolarHBondContact OD1-CA 3.36Å; D136-K138 WeakPolarHBondContact OD1-CB 3.36Å; D136-K138 PolarHBondContact OD1-N 3.47Å; K138-Y140 PolarHBondContact O-N 3.38Å
139N94.8Very high95.2Very high10 Ų1088.4 Ų88.45%0.05341%0.41CS..  trans-76.260.2172.1-170.625.7000112.2Y118 M122 A134 D136 E137 Y141 Q142 D143Y118-N139 PolarHBondContact OH-OD1 3.07Å; M122-N139 HydrophobicContact CE-CB 4.06Å; A134-N139 WeakPolarHBondContact CA-ND2 3.43Å; A134-N139 PolarHBondContact O-ND2 3.1Å; D136-N139 VanDerWaalsContact O-CB 3.3Å; D136-N139 WeakPolarHBondContact O-CB 3.27Å; D136-N139 PolarHBondContact O-N 3.02Å; D136-N139 VanDerWaalsContact O-N 3.13Å; E137-N139 PolarHBondContact O-N 2.68Å; N139-Y141 VanDerWaalsContact C-N 3.3Å; N139-Y141 PolarHBondContact O-N 3.23Å; N139-Q142 PolarHBondContact O-N 2.88Å; N139-D143 PolarHBondContact ND2-N 3.44Å; N139-D143 VanDerWaalsContact ND2-N 3.14Å; N139-D143 PolarHBondContact ND2-O 2.98Å; N139-D143 WeakPolarHBondContact OD1-CB 3.46Å; N139-D143 PolarHBondContact OD1-N 3.38Å
140Y93.8Very high95.2Very high187 Ų18793 Ų9373%0.73342%0.42SS*.THydrogen-bonded Turntrans-57.1-40.1-174.8179.4-99.7000113.5K138 Q142K138-Y140 PolarHBondContact O-N 3.38Å; Y140-Q142 PolarHBondContact O-N 3.47Å
141Y92.8Very high95.2Very high187 Ų18793.2 Ų93.273%0.73342%0.422SS*.THydrogen-bonded Turntrans-836.8-179.7-62.8-68.1000113.8N139 D143N139-Y141 VanDerWaalsContact C-N 3.3Å; N139-Y141 PolarHBondContact O-N 3.23Å; Y141-D143 VanDerWaalsContact C-N 3.3Å; Y141-D143 PolarHBondContact O-N 3.12Å
142Q94.4Very high95.2Very high166 Ų16686.4 Ų86.478%0.77639%0.393SS*.  trans57.542.5175.5-53.9176.8-2100112.3N139 Y140 T144N139-Q142 PolarHBondContact O-N 2.88Å; Y140-Q142 PolarHBondContact O-N 3.47Å; Q142-T144 PolarHBondContact O-N 3.48Å
143D95.8Very high95.2Very high21 Ų2188.4 Ų88.411%0.11240%0.4CS..  trans-60135.8177.9-70.9-57.6000110.7N139 Y141 Q147 I148 K151N139-D143 PolarHBondContact ND2-N 3.44Å; N139-D143 VanDerWaalsContact ND2-N 3.14Å; N139-D143 PolarHBondContact ND2-O 2.98Å; N139-D143 WeakPolarHBondContact OD1-CB 3.46Å; N139-D143 PolarHBondContact OD1-N 3.38Å; Y141-D143 VanDerWaalsContact C-N 3.3Å; Y141-D143 PolarHBondContact O-N 3.12Å; D143-Q147 HydrophobicContact CB-CB 4.17Å; D143-I148 HydrophobicContact CB-CD1 4.19Å; D143-I148 HydrophobicContact CB-CG1 3.62Å; D143-K151 IonicContact OD1-NZ 3.66Å; D143-K151 IonicContact OD2-NZ 2.73Å; D143-K151 PolarHBondContact OD2-NZ 3.31Å
144T97.1Very high95.1Very high63 Ų6392.9 Ų92.939%0.38742%0.421SS..  trans-68.3155173.262.90000110.7Q142 S146 Q147 I148Q142-T144 PolarHBondContact O-N 3.48Å; T144-S146 PolarHBondContact O-N 3.18Å; T144-S146 PolarHBondContact OG1-OG 2.95Å; T144-Q147 WeakPolarHBondContact O-CB 3.28Å; T144-Q147 PolarHBondContact O-N 3.43Å; T144-Q147 VanDerWaalsContact OG1-CD 3.3Å; T144-Q147 WeakPolarHBondContact OG1-CG 3.31Å; T144-Q147 PolarHBondContact OG1-N 3.25Å; T144-Q147 PolarHBondContact OG1-OE1 3.48Å; T144-I148 PolarHBondContact O-N 3.25Å
145P97Very high95.1Very high50 Ų5091.6 Ų91.633%0.32541%0.41SS..Hα-helixtrans-52.1-33.4178.4-28.935000114.1K131 A134 R149K131-P145 HydrophobicContact CG-CG 4.46Å; A134-P145 HydrophobicContact CB-CG 3.77Å; P145-R149 WeakPolarHBondContact O-CB 3.33Å; P145-R149 PolarHBondContact O-N 3.29Å
146S97.1Very high95Very high69 Ų6985 Ų8548%0.48339%0.387SS..Hα-helixtrans-73.7-34.4178.2660000112.8T144 R150T144-S146 PolarHBondContact O-N 3.18Å; T144-S146 PolarHBondContact OG1-OG 2.95Å; S146-R150 WeakPolarHBondContact O-CG 3.46Å; S146-R150 PolarHBondContact O-N 3.25Å
147Q96.4Very high94.8Very high82 Ų8292 Ų9238%0.38341%0.411SS..Hα-helixtrans-68.5-43.7174.1-74.2164.2-44.900111D143 T144 R149 R150 K151D143-Q147 HydrophobicContact CB-CB 4.17Å; T144-Q147 WeakPolarHBondContact O-CB 3.28Å; T144-Q147 PolarHBondContact O-N 3.43Å; T144-Q147 VanDerWaalsContact OG1-CD 3.3Å; T144-Q147 WeakPolarHBondContact OG1-CG 3.31Å; T144-Q147 PolarHBondContact OG1-N 3.25Å; T144-Q147 PolarHBondContact OG1-OE1 3.48Å; Q147-R149 VanDerWaalsContact C-N 3.32Å; Q147-R149 PolarHBondContact O-N 3.03Å; Q147-R150 WeakPolarHBondContact O-CB 3.47Å; Q147-R150 PolarHBondContact O-N 3.02Å; Q147-R150 VanDerWaalsContact O-N 3.14Å; Q147-K151 WeakPolarHBondContact O-CG 3.35Å; Q147-K151 PolarHBondContact O-N 2.85Å
148I95.5Very high94.8Very high0 Ų084.3 Ų84.30%038%0.378CS..Hα-helixtrans-60.5-44.8175.3-59.4177000110.2Y130 M133 A134 D143 T144 R150 K151 V152Y130-I148 HydrophobicContact CD1-CG2 4.31Å; M133-I148 HydrophobicContact CB-CD1 3.82Å; M133-I148 HydrophobicContact CB-CG2 4.13Å; M133-I148 HydrophobicContact SD-CG2 3.59Å; M133-I148 VanDerWaalsContact SD-CG2 3.59Å; A134-I148 HydrophobicContact CB-CD1 4.1Å; D143-I148 HydrophobicContact CB-CD1 4.19Å; D143-I148 HydrophobicContact CB-CG1 3.62Å; T144-I148 PolarHBondContact O-N 3.25Å; I148-R150 VanDerWaalsContact C-N 3.33Å; I148-R150 PolarHBondContact O-N 3.42Å; I148-K151 WeakPolarHBondContact O-CB 3.44Å; I148-K151 PolarHBondContact O-N 3.48Å; I148-K151 VanDerWaalsContact O-N 3.11Å; I148-V152 WeakPolarHBondContact O-CG2 3.28Å; I148-V152 PolarHBondContact O-N 3.08Å
149R96.1Very high94.7Very high139 Ų13979.6 Ų79.653%0.52536%0.358SS..Hα-helixtrans-56.6-45.5173.7-178.2176.9175.6178.44.4112.3Y130 P145 Q147 K151 V152 D153Y130-R149 HydrophobicContact CD1-CB 4Å; Y130-R149 HydrophobicContact CD2-CB 4.42Å; Y130-R149 HydrophobicContact CE1-CB 3.91Å; Y130-R149 HydrophobicContact CE1-CG 4.19Å; Y130-R149 HydrophobicContact CE2-CB 4.32Å; Y130-R149 HydrophobicContact CE2-CG 4.11Å; Y130-R149 HydrophobicContact CG-CB 4.25Å; P145-R149 WeakPolarHBondContact O-CB 3.33Å; P145-R149 PolarHBondContact O-N 3.29Å; Q147-R149 VanDerWaalsContact C-N 3.32Å; Q147-R149 PolarHBondContact O-N 3.03Å; R149-K151 VanDerWaalsContact C-N 3.31Å; R149-K151 PolarHBondContact O-N 3.21Å; R149-V152 WeakPolarHBondContact O-CB 3.34Å; R149-V152 PolarHBondContact O-N 2.93Å; R149-D153 IonicContact NE-OD2 3.79Å; R149-D153 VanDerWaalsContact O-CG 3.3Å; R149-D153 PolarHBondContact O-N 3.07Å
150R96.3Very high94.6Very high181 Ų18182 Ų8268%0.68337%0.374SS*.Hα-helixtrans-60.4-38.8176.2-74.6172.7-179.5-178.81.3112.4S146 Q147 I148 D153 Q154S146-R150 WeakPolarHBondContact O-CG 3.46Å; S146-R150 PolarHBondContact O-N 3.25Å; Q147-R150 WeakPolarHBondContact O-CB 3.47Å; Q147-R150 PolarHBondContact O-N 3.02Å; Q147-R150 VanDerWaalsContact O-N 3.14Å; I148-R150 VanDerWaalsContact C-N 3.33Å; I148-R150 PolarHBondContact O-N 3.42Å; R150-D153 PolarHBondContact O-N 3.48Å; R150-Q154 VanDerWaalsContact O-CB 3.28Å; R150-Q154 WeakPolarHBondContact O-CB 3.4Å; R150-Q154 PolarHBondContact O-N 2.88Å
151K95.3Very high94.6Very high49 Ų4979.8 Ų79.821%0.21337%0.371CS..Hα-helixtrans-63.7-42.2175.3-69.7177.1175.3-172.70111.6L115 Y118 V119 D143 Q147 I148 R149 Q154 Y155L115-K151 HydrophobicContact CD1-CB 4.16Å; L115-K151 HydrophobicContact CD1-CD 3.75Å; L115-K151 HydrophobicContact CD1-CG 3.95Å; Y118-K151 HydrophobicContact CD1-CD 4.47Å; Y118-K151 HydrophobicContact CE1-CD 4.06Å; V119-K151 HydrophobicContact CG2-CB 4.06Å; D143-K151 IonicContact OD1-NZ 3.66Å; D143-K151 IonicContact OD2-NZ 2.73Å; D143-K151 PolarHBondContact OD2-NZ 3.31Å; Q147-K151 WeakPolarHBondContact O-CG 3.35Å; Q147-K151 PolarHBondContact O-N 2.85Å; I148-K151 WeakPolarHBondContact O-CB 3.44Å; I148-K151 PolarHBondContact O-N 3.48Å; I148-K151 VanDerWaalsContact O-N 3.11Å; R149-K151 VanDerWaalsContact C-N 3.31Å; R149-K151 PolarHBondContact O-N 3.21Å; K151-Q154 PolarHBondContact O-N 3.34Å; K151-Y155 PolarHBondContact O-N 3.5Å
152V94.9Very high94.5Very high2 Ų274.9 Ų74.91%0.01235%0.354CS..Hα-helixtrans-63-47.1174.3174.30000111.2V119 I123 Y130 I148 R149 Q154 Y155 K156V119-V152 HydrophobicContact CG1-CB 4.46Å; V119-V152 HydrophobicContact CG1-CG2 3.92Å; V119-V152 HydrophobicContact CG2-CG2 4.47Å; I123-V152 HydrophobicContact CD1-CG1 4.12Å; I123-V152 HydrophobicContact CD1-CG2 4.37Å; Y130-V152 HydrophobicContact CE1-CG2 4.22Å; I148-V152 WeakPolarHBondContact O-CG2 3.28Å; I148-V152 PolarHBondContact O-N 3.08Å; R149-V152 WeakPolarHBondContact O-CB 3.34Å; R149-V152 PolarHBondContact O-N 2.93Å; V152-Q154 VanDerWaalsContact C-N 3.28Å; V152-Q154 PolarHBondContact O-N 3.06Å; V152-Y155 WeakPolarHBondContact O-CB 3.36Å; V152-Y155 PolarHBondContact O-N 2.93Å; V152-Y155 VanDerWaalsContact O-N 3.15Å; V152-K156 HydrophobicContact CG1-CD 4.42Å; V152-K156 WeakPolarHBondContact O-CG 3.12Å; V152-K156 PolarHBondContact O-N 3.47Å
153D94.8Very high94.5Very high69 Ų6968.5 Ų68.537%0.36932%0.323SS..Hα-helixtrans-64.8-34.9179.1-67.7-23.1000111.5R149 R150 K156 R157R149-D153 IonicContact NE-OD2 3.79Å; R149-D153 VanDerWaalsContact O-CG 3.3Å; R149-D153 PolarHBondContact O-N 3.07Å; R150-D153 PolarHBondContact O-N 3.48Å; D153-K156 PolarHBondContact O-N 3.06Å; D153-R157 WeakPolarHBondContact O-CB 2.89Å; D153-R157 PolarHBondContact O-N 3.41Å
154Q94.4Very high94.4Very high94 Ų9471.2 Ų71.244%0.43934%0.338SS..Hα-helixtrans-64.8-42.1173.3-167.3177.40.700111.2L111 R150 K151 V152 R157 C158L111-Q154 HydrophobicContact CD1-CG 4.21Å; L111-Q154 VanDerWaalsContact CD2-CD 3.4Å; L111-Q154 HydrophobicContact CD2-CG 3.58Å; L111-Q154 HydrophobicContact CG-CG 4.38Å; R150-Q154 VanDerWaalsContact O-CB 3.28Å; R150-Q154 WeakPolarHBondContact O-CB 3.4Å; R150-Q154 PolarHBondContact O-N 2.88Å; K151-Q154 PolarHBondContact O-N 3.34Å; V152-Q154 VanDerWaalsContact C-N 3.28Å; V152-Q154 PolarHBondContact O-N 3.06Å; Q154-R157 PolarHBondContact O-N 2.97Å; Q154-C158 WeakPolarHBondContact O-CB 3.48Å; Q154-C158 PolarHBondContact O-N 3.08Å
155Y94.5Very high94.2Very high0 Ų071.4 Ų71.40%034%0.339CS..Hα-helixtrans-61.4-47.2175.1179.5-135.6000112.1L111 I116 V119 Q120 K151 V152 R157 C158 H159 E162 Y163L111-Y155 VanDerWaalsContact CD1-CA 3.41Å; L111-Y155 HydrophobicContact CD1-CD2 4.2Å; I116-Y155 HydrophobicContact CB-CE2 4.29Å; I116-Y155 HydrophobicContact CD1-CE2 4.31Å; I116-Y155 HydrophobicContact CG1-CD2 3.92Å; I116-Y155 HydrophobicContact CG1-CE2 3.89Å; I116-Y155 HydrophobicContact CG2-CD2 4.31Å; I116-Y155 HydrophobicContact CG2-CE1 4.48Å; I116-Y155 HydrophobicContact CG2-CE2 3.61Å; V119-Y155 HydrophobicContact CB-CD1 4.49Å; V119-Y155 HydrophobicContact CG1-CD1 3.68Å; V119-Y155 HydrophobicContact CG1-CE1 4.48Å; V119-Y155 HydrophobicContact CG1-CG 4.29Å; Q120-Y155 HydrophobicContact CG-CE1 4.26Å; Q120-Y155 PolarHBondContact NE2-OH 3.18Å; Q120-Y155 VanDerWaalsContact NE2-OH 3.09Å; K151-Y155 PolarHBondContact O-N 3.5Å; V152-Y155 WeakPolarHBondContact O-CB 3.36Å; V152-Y155 PolarHBondContact O-N 2.93Å; V152-Y155 VanDerWaalsContact O-N 3.15Å; Y155-R157 VanDerWaalsContact C-N 3.26Å; Y155-R157 PolarHBondContact O-N 2.96Å; Y155-C158 PolarHBondContact O-N 2.98Å; Y155-H159 HydrophobicContact CD2-CB 4.05Å; Y155-H159 HydrophobicContact CE2-CB 3.76Å; Y155-H159 PolarHBondContact O-N 3.26Å; Y155-E162 HydrophobicContact CE2-CB 4.42Å; Y155-Y163 AromaticContact CD1-CD2 3.59Å; Y155-Y163 HydrophobicContact CD1-CD2 3.59Å; Y155-Y163 HydrophobicContact CD1-CE2 4.39Å; Y155-Y163 HydrophobicContact CD1-CG 4.43Å; Y155-Y163 AromaticContact CE1-CD2 3.55Å; Y155-Y163 HydrophobicContact CE1-CD2 3.55Å; Y155-Y163 HydrophobicContact CE1-CG 4.29Å
156K93.1Very high94.1Very high66 Ų6669.5 Ų69.529%0.28733%0.326SS..Hα-helixtrans-57-38.6174.8-69.6175.1176.5-179.40112.9V152 D153 Y163V152-K156 HydrophobicContact CG1-CD 4.42Å; V152-K156 WeakPolarHBondContact O-CG 3.12Å; V152-K156 PolarHBondContact O-N 3.47Å; D153-K156 PolarHBondContact O-N 3.06Å; K156-Y163 HydrophobicContact CD-CE1 4.17Å; K156-Y163 WeakPolarHBondContact CE-OH 3.38Å; K156-Y163 HydrophobicContact CG-CD1 3.87Å; K156-Y163 HydrophobicContact CG-CD2 4.12Å; K156-Y163 HydrophobicContact CG-CE1 3.86Å; K156-Y163 HydrophobicContact CG-CE2 4.11Å; K156-Y163 HydrophobicContact CG-CG 4Å
157R92.1Very high93.8Very high176 Ų17667.8 Ų67.866%0.66431%0.312SS*.Hα-helixtrans-74.3-42.7-178.8-176.7177.4178.8158.14.4112.7D153 Q154 Y155D153-R157 WeakPolarHBondContact O-CB 2.89Å; D153-R157 PolarHBondContact O-N 3.41Å; Q154-R157 PolarHBondContact O-N 2.97Å; Y155-R157 VanDerWaalsContact C-N 3.26Å; Y155-R157 PolarHBondContact O-N 2.96Å
158C92Very high93.6Very high28 Ų2868.5 Ų68.519%0.18932%0.315CS..Hα-helixtrans-78.5-40.8-176.6-74.90000112.4K109 L111 Q154 Y155K109-C158 PolarHBondContact O-SG 2.88Å; L111-C158 HydrophobicContact CD1-CB 4.13Å; L111-C158 HydrophobicContact CG-CB 3.93Å; Q154-C158 WeakPolarHBondContact O-CB 3.48Å; Q154-C158 PolarHBondContact O-N 3.08Å; Y155-C158 PolarHBondContact O-N 2.98Å
159H91.5Very high93.4Very high33 Ų3373.8 Ų73.815%0.15334%0.338CS..  trans-132.467-172.5-59.6-56.7000111.5Y155 E161 E162 Y163Y155-H159 HydrophobicContact CD2-CB 4.05Å; Y155-H159 HydrophobicContact CE2-CB 3.76Å; Y155-H159 PolarHBondContact O-N 3.26Å; H159-E161 VanDerWaalsContact C-N 3.34Å; H159-E161 PolarHBondContact O-N 3.23Å; H159-E162 HydrophobicContact CB-CB 4.05Å; H159-E162 HydrophobicContact CB-CG 4.13Å; H159-E162 IonicContact CD2-OE2 3.7Å; H159-E162 IonicContact CG-OE2 3.87Å; H159-Y163 WeakPolarHBondContact O-CB 2.97Å; H159-Y163 PolarHBondContact O-N 3.34Å
160P92.2Very high93.1Very high60 Ų6070.8 Ų70.839%0.3933%0.332SS..Hα-helixtrans-62.7-39.4-17724.3-33.3000112.5Y163 N164P160-Y163 PolarHBondContact O-N 2.95Å; P160-N164 WeakPolarHBondContact O-CB 3.44Å; P160-N164 PolarHBondContact O-N 2.93Å; P160-N164 PolarHBondContact O-ND2 3.11Å
161E92.5Very high92.5Very high141 Ų14170.4 Ų70.466%0.65934%0.336SS*.Hα-helixtrans-66.7-46.9-179.7-55.8-58.516100112H159 Y163 N164 T165H159-E161 VanDerWaalsContact C-N 3.34Å; H159-E161 PolarHBondContact O-N 3.23Å; E161-Y163 VanDerWaalsContact C-N 3.31Å; E161-Y163 PolarHBondContact O-N 3.47Å; E161-N164 PolarHBondContact O-N 2.85Å; E161-T165 WeakPolarHBondContact O-CG2 3.35Å; E161-T165 PolarHBondContact O-N 3.08Å; E161-T165 PolarHBondContact O-OG1 2.98Å
162E92.2Very high91.7Very high84 Ų8471.3 Ų71.339%0.39336%0.359SS..Hα-helixtrans-62.3-39.2175.8-59.9-177.1178.200111.7Y155 H159 T165 F166Y155-E162 HydrophobicContact CE2-CB 4.42Å; H159-E162 HydrophobicContact CB-CB 4.05Å; H159-E162 HydrophobicContact CB-CG 4.13Å; H159-E162 IonicContact CD2-OE2 3.7Å; H159-E162 IonicContact CG-OE2 3.87Å; E162-T165 WeakPolarHBondContact CA-OG1 3.36Å; E162-T165 PolarHBondContact O-OG1 3.45Å; E162-F166 VanDerWaalsContact O-CB 3.24Å; E162-F166 WeakPolarHBondContact O-CB 3.26Å; E162-F166 PolarHBondContact O-N 3.18Å
163Y93.2Very high89.9Confident31 Ų3172.8 Ų72.812%0.12238%0.375CS..Hα-helixtrans-65.2-44.7176.6-179.7-100.2000111.9I123 Y155 K156 H159 P160 E161 F166 V167I123-Y163 HydrophobicContact CD1-CE2 3.73Å; Y155-Y163 AromaticContact CD1-CD2 3.59Å; Y155-Y163 HydrophobicContact CD1-CD2 3.59Å; Y155-Y163 HydrophobicContact CD1-CE2 4.39Å; Y155-Y163 HydrophobicContact CD1-CG 4.43Å; Y155-Y163 AromaticContact CE1-CD2 3.55Å; Y155-Y163 HydrophobicContact CE1-CD2 3.55Å; Y155-Y163 HydrophobicContact CE1-CG 4.29Å; K156-Y163 HydrophobicContact CD-CE1 4.17Å; K156-Y163 WeakPolarHBondContact CE-OH 3.38Å; K156-Y163 HydrophobicContact CG-CD1 3.87Å; K156-Y163 HydrophobicContact CG-CD2 4.12Å; K156-Y163 HydrophobicContact CG-CE1 3.86Å; K156-Y163 HydrophobicContact CG-CE2 4.11Å; K156-Y163 HydrophobicContact CG-CG 4Å; H159-Y163 WeakPolarHBondContact O-CB 2.97Å; H159-Y163 PolarHBondContact O-N 3.34Å; P160-Y163 PolarHBondContact O-N 2.95Å; E161-Y163 VanDerWaalsContact C-N 3.31Å; E161-Y163 PolarHBondContact O-N 3.47Å; Y163-F166 WeakPolarHBondContact O-CB 3.44Å; Y163-F166 PolarHBondContact O-N 3.41Å; Y163-V167 HydrophobicContact CD1-CG2 4.15Å; Y163-V167 HydrophobicContact CD2-CG2 4.45Å; Y163-V167 HydrophobicContact CE1-CG2 3.64Å; Y163-V167 HydrophobicContact CE2-CG2 3.98Å; Y163-V167 WeakPolarHBondContact O-CG2 3.47Å; Y163-V167 PolarHBondContact O-N 3.26Å
164N93.4Very high87.8Confident79 Ų7978.6 Ų78.642%0.42240%0.397SS..Hα-helixtrans-63.7-49-179.5-71.2-21.1000111.3P160 E161 F166 V167 E168P160-N164 WeakPolarHBondContact O-CB 3.44Å; P160-N164 PolarHBondContact O-N 2.93Å; P160-N164 PolarHBondContact O-ND2 3.11Å; E161-N164 PolarHBondContact O-N 2.85Å; N164-F166 VanDerWaalsContact C-N 3.28Å; N164-F166 PolarHBondContact O-N 3.48Å; N164-V167 PolarHBondContact O-N 2.97Å; N164-V167 VanDerWaalsContact O-N 3.14Å; N164-E168 WeakPolarHBondContact O-CG 3.47Å; N164-E168 PolarHBondContact O-N 3.35Å
165T94.4Very high85.8Confident66 Ų6678.5 Ų78.541%0.40540%0.404SS..Hα-helixtrans-57.2-41.4175.552.20000112E161 E162 E168 F169E161-T165 WeakPolarHBondContact O-CG2 3.35Å; E161-T165 PolarHBondContact O-N 3.08Å; E161-T165 PolarHBondContact O-OG1 2.98Å; E162-T165 WeakPolarHBondContact CA-OG1 3.36Å; E162-T165 PolarHBondContact O-OG1 3.45Å; T165-E168 PolarHBondContact O-N 3.2Å; T165-F169 WeakPolarHBondContact O-CB 3.48Å; T165-F169 PolarHBondContact O-N 2.98Å
166F93.4Very high83.9Confident11 Ų1183.5 Ų83.55%0.04844%0.435CS..Hα-helixtrans-63-45.2174.8167.4-101.8000112.8Q120 I123 R124 E162 Y163 N164 F169 L170Q120-F166 HydrophobicContact CB-CD2 4.37Å; Q120-F166 HydrophobicContact CB-CE2 3.74Å; Q120-F166 HydrophobicContact CB-CZ 3.84Å; Q120-F166 HydrophobicContact CG-CD1 4.42Å; Q120-F166 HydrophobicContact CG-CD2 3.94Å; Q120-F166 HydrophobicContact CG-CE1 4.33Å; Q120-F166 HydrophobicContact CG-CE2 3.81Å; Q120-F166 HydrophobicContact CG-CG 4.23Å; Q120-F166 HydrophobicContact CG-CZ 4.03Å; Q120-F166 WeakPolarHBondContact O-CZ 3.39Å; I123-F166 HydrophobicContact CB-CE1 3.95Å; I123-F166 HydrophobicContact CB-CZ 4.24Å; I123-F166 HydrophobicContact CD1-CE1 4.4Å; I123-F166 HydrophobicContact CG2-CE1 3.72Å; I123-F166 HydrophobicContact CG2-CZ 4.27Å; R124-F166 HydrophobicContact CG-CE2 3.97Å; R124-F166 HydrophobicContact CG-CZ 3.87Å; E162-F166 VanDerWaalsContact O-CB 3.24Å; E162-F166 WeakPolarHBondContact O-CB 3.26Å; E162-F166 PolarHBondContact O-N 3.18Å; Y163-F166 WeakPolarHBondContact O-CB 3.44Å; Y163-F166 PolarHBondContact O-N 3.41Å; N164-F166 VanDerWaalsContact C-N 3.28Å; N164-F166 PolarHBondContact O-N 3.48Å; F166-F169 WeakPolarHBondContact O-CB 3.11Å; F166-F169 PolarHBondContact O-N 2.88Å; F166-L170 HydrophobicContact CD1-CD1 4.43Å; F166-L170 HydrophobicContact CE1-CD1 3.73Å; F166-L170 HydrophobicContact CE1-CG 4.48Å; F166-L170 HydrophobicContact CE2-CD1 4.28Å; F166-L170 HydrophobicContact CE2-CD2 4.38Å; F166-L170 HydrophobicContact CE2-CG 4.38Å; F166-L170 HydrophobicContact CZ-CD1 3.64Å; F166-L170 HydrophobicContact CZ-CD2 4.46Å; F166-L170 HydrophobicContact CZ-CG 4.22Å; F166-L170 WeakPolarHBondContact O-CG 3.34Å; F166-L170 PolarHBondContact O-N 3.03Å; F166-L170 VanDerWaalsContact O-N 3.09Å
167V91.7Very high81.6Confident32 Ų3285.8 Ų85.819%0.19446%0.459CS..Hα-helixtrans-66.4-38.21781710000111.6Y163 N164 L170 K171Y163-V167 HydrophobicContact CD1-CG2 4.15Å; Y163-V167 HydrophobicContact CD2-CG2 4.45Å; Y163-V167 HydrophobicContact CE1-CG2 3.64Å; Y163-V167 HydrophobicContact CE2-CG2 3.98Å; Y163-V167 WeakPolarHBondContact O-CG2 3.47Å; Y163-V167 PolarHBondContact O-N 3.26Å; N164-V167 PolarHBondContact O-N 2.97Å; N164-V167 VanDerWaalsContact O-N 3.14Å; V167-L170 PolarHBondContact O-N 2.94Å; V167-K171 HydrophobicContact CG1-CD 4.33Å; V167-K171 WeakPolarHBondContact O-CG 3.26Å; V167-K171 PolarHBondContact O-N 3.01Å; V167-K171 VanDerWaalsContact O-N 3.13Å
168E92.6Very high79.1Confident98 Ų9887.2 Ų87.246%0.45849%0.487SS..Hα-helixtrans-62.5-42.7173.6-73.8-179.4171.800111.7N164 T165 L170 K171 G172 G173N164-E168 WeakPolarHBondContact O-CG 3.47Å; N164-E168 PolarHBondContact O-N 3.35Å; T165-E168 PolarHBondContact O-N 3.2Å; E168-L170 VanDerWaalsContact C-N 3.31Å; E168-L170 PolarHBondContact O-N 3.39Å; E168-K171 PolarHBondContact O-N 3.35Å; E168-K171 VanDerWaalsContact O-N 3.09Å; E168-G172 PolarHBondContact O-N 2.76Å; E168-G173 WeakPolarHBondContact O-CA 3.39Å; E168-G173 PolarHBondContact O-N 3.1Å
169F91.3Very high78.5Confident110 Ų11090.2 Ų90.248%0.48250%0.502SS..Hα-helixtrans-57.4-43.2174.1175.7-96.8000111.8T165 F166 K171 G172T165-F169 WeakPolarHBondContact O-CB 3.48Å; T165-F169 PolarHBondContact O-N 2.98Å; F166-F169 WeakPolarHBondContact O-CB 3.11Å; F166-F169 PolarHBondContact O-N 2.88Å; F169-K171 VanDerWaalsContact C-N 3.29Å; F169-K171 PolarHBondContact O-N 3.31Å; F169-G172 PolarHBondContact O-N 3.01Å; F169-G172 VanDerWaalsContact O-N 3.15Å
170L88.6Confident77.8Confident76 Ų7693.2 Ų93.240%0.39852%0.521SS..Hα-helixtrans-66.2-30.4176.4-63.2-177.4000113.3I123 R124 F166 V167 E168 G172I123-L170 HydrophobicContact CG2-CD1 4.11Å; R124-L170 HydrophobicContact CG-CD1 4.45Å; R124-L170 HydrophobicContact CG-CD2 3.76Å; F166-L170 HydrophobicContact CD1-CD1 4.43Å; F166-L170 HydrophobicContact CE1-CD1 3.73Å; F166-L170 HydrophobicContact CE1-CG 4.48Å; F166-L170 HydrophobicContact CE2-CD1 4.28Å; F166-L170 HydrophobicContact CE2-CD2 4.38Å; F166-L170 HydrophobicContact CE2-CG 4.38Å; F166-L170 HydrophobicContact CZ-CD1 3.64Å; F166-L170 HydrophobicContact CZ-CD2 4.46Å; F166-L170 HydrophobicContact CZ-CG 4.22Å; F166-L170 WeakPolarHBondContact O-CG 3.34Å; F166-L170 PolarHBondContact O-N 3.03Å; F166-L170 VanDerWaalsContact O-N 3.09Å; V167-L170 PolarHBondContact O-N 2.94Å; E168-L170 VanDerWaalsContact C-N 3.31Å; E168-L170 PolarHBondContact O-N 3.39Å; L170-G172 PolarHBondContact O-N 3.4Å
171K85.3Confident77Confident173 Ų17395.1 Ų95.175%0.75253%0.528SS*.THydrogen-bonded Turntrans-77.42.1176.2-69.7174.7-178.8176.70113.2V167 E168 F169V167-K171 HydrophobicContact CG1-CD 4.33Å; V167-K171 WeakPolarHBondContact O-CG 3.26Å; V167-K171 PolarHBondContact O-N 3.01Å; V167-K171 VanDerWaalsContact O-N 3.13Å; E168-K171 PolarHBondContact O-N 3.35Å; E168-K171 VanDerWaalsContact O-N 3.09Å; F169-K171 VanDerWaalsContact C-N 3.29Å; F169-K171 PolarHBondContact O-N 3.31Å
172G78.1Confident76.1Confident68 Ų6892.4 Ų92.470%0.70152%0.52SS*.THydrogen-bonded Turntrans85.610.5-177.900000114.1E168 F169 L170E168-G172 PolarHBondContact O-N 2.76Å; F169-G172 PolarHBondContact O-N 3.01Å; F169-G172 VanDerWaalsContact O-N 3.15Å; L170-G172 PolarHBondContact O-N 3.4Å
173G57.2Low75.1Confident33 Ų3392.9 Ų92.934%0.3453%0.528SS..PPolyproline II helixtrans-72.6128.617100000110.4E168E168-G173 WeakPolarHBondContact O-CA 3.39Å; E168-G173 PolarHBondContact O-N 3.1Å
174K50.9Low73.8Confident191 Ų19197 Ų9783%0.8356%0.556SS**PPolyproline II helixtrans-58.7136169.6-75.3-179.4177.2178.70108.7V176K174-V176 PolarHBondContact O-N 2.59Å
175P52.1Low72.5Confident92 Ų9298.3 Ų98.360%0.59757%0.565SS**PPolyproline II helixtrans-60.4124178.824.8-32000109.1S177P175-S177 PolarHBondContact O-N 3.39Å
176V55.2Low70.8Confident106 Ų106100.8 Ų100.864%0.64258%0.577SS**  trans-69102.3172.8-179.20000106.8K174 T178K174-V176 PolarHBondContact O-N 2.59Å; V176-T178 PolarHBondContact O-N 3.48Å
177S43.2Very low68.9Low114 Ų114108.3 Ų108.380%0.79762%0.621SS**  trans-68.2106.4171.955.60000109P175P175-S177 PolarHBondContact O-N 3.39Å
178T40.4Very low66.8Low206 Ų206115.2 Ų115.2100%1.26466%0.66SS**  trans-74.40155.4400000110.7V176V176-T178 PolarHBondContact O-N 3.48Å

Retrieved 178 of 178 residues in 111.8 ms (Link to these results)