A0A087XDB9_POEFO Loading...

Calcium/calmodulin-dependent protein kinase type IV

AlphaFold DB , UniProt , Accession A0A087XDB9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 379 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
1M38.1Very low42.7Very low231 Ų231140.2 Ų140.2100%1.13882%0.818SS**  0108.50-70.4-72.6-163.700107.6
2P38.4Very low43.7Very low130 Ų130138.8 Ų138.884%0.84480%0.798SS**  trans-78.3121.4173.731.2-27.1000108.5S4P2-S4 PolarHBondContact O-N 3.36Å
3T40.4Very low45.2Very low134 Ų134133.1 Ų133.182%0.82276%0.759SS**  trans-79.3105.4169.646.70000108.4R5T3-R5 PolarHBondContact O-N 3.41Å
4S40.3Very low47Very low115 Ų115125.8 Ų125.880%0.80471%0.713SS**PPolyproline II helixtrans-59.8123.5168.329.60000110P2P2-S4 PolarHBondContact O-N 3.36Å
5R43.3Very low48.8Very low232 Ų232117.5 Ų117.588%0.87567%0.666SS**PPolyproline II helixtrans-66.4140.5162.8-76.2-179.8176.1178.9-1.6108.3T3 G7T3-R5 PolarHBondContact O-N 3.41Å; R5-G7 PolarHBondContact O-N 3.36Å
6P46.6Very low50.5Low124 Ų124115.1 Ų115.181%0.80565%0.651SS**PPolyproline II helixtrans-66.4129.2169.818.7-12.5000108.1S8P6-S8 PolarHBondContact O-N 3.06Å
7G43.3Very low52.1Low72 Ų72112 Ų11274%0.74265%0.65SS**PPolyproline II helixtrans-56.5120.8173.700000109.5R5 E9R5-G7 PolarHBondContact O-N 3.36Å; G7-E9 VanDerWaalsContact C-N 3.32Å; G7-E9 PolarHBondContact O-N 3.22Å
8S45Very low53.9Low114 Ų114106.6 Ų106.680%0.79762%0.62SS**  trans-65.6100.9155.852.70000106.1P6P6-S8 PolarHBondContact O-N 3.06Å
9E41.9Very low55.7Low173 Ų173106.3 Ų106.381%0.80861%0.607SS**  trans-51.6132.1165.6-72.6-172.9162.400107.9G7 V11G7-E9 VanDerWaalsContact C-N 3.32Å; G7-E9 PolarHBondContact O-N 3.22Å; E9-V11 PolarHBondContact O-N 2.92Å
10P43.8Very low57.1Low117 Ų117107.5 Ų107.576%0.7660%0.601SS**  trans-61.9114.8174.824.7-29000106.9E12P10-E12 PolarHBondContact O-N 3.01Å
11V48.3Very low58.2Low100 Ų100108.4 Ų108.461%0.60661%0.605SS**  trans-54.6112.6173.6-179.10000106.8E9 F13E9-V11 PolarHBondContact O-N 2.92Å; V11-F13 HydrophobicContact CB-CE1 4.3Å; V11-F13 HydrophobicContact CB-CE2 4.08Å; V11-F13 HydrophobicContact CB-CZ 3.86Å; V11-F13 HydrophobicContact CG1-CD1 4.3Å; V11-F13 HydrophobicContact CG1-CE1 3.92Å; V11-F13 HydrophobicContact CG1-CE2 4.46Å; V11-F13 HydrophobicContact CG1-CZ 4.02Å; V11-F13 WeakPolarHBondContact O-CD2 3.01Å; V11-F13 WeakPolarHBondContact O-CE2 2.88Å; V11-F13 PolarHBondContact O-N 3.1Å
12E55.3Low60.3Low123 Ų12398.3 Ų98.358%0.57556%0.56SS**  trans-78.7111.9-178.1-134.9177-138.800107.1P10 W14P10-E12 PolarHBondContact O-N 3.01Å; E12-W14 HydrophobicContact CG-CZ2 4.06Å; E12-W14 PolarHBondContact OE2-NE1 3.31Å; E12-W14 VanDerWaalsContact OE2-NE1 3.1Å
13F62.6Low62.7Low65 Ų6594.8 Ų94.829%0.28554%0.536SS..  trans-95.5120.7-171.2-61.9-86.5000110.3V11 K65 K66V11-F13 HydrophobicContact CB-CE1 4.3Å; V11-F13 HydrophobicContact CB-CE2 4.08Å; V11-F13 HydrophobicContact CB-CZ 3.86Å; V11-F13 HydrophobicContact CG1-CD1 4.3Å; V11-F13 HydrophobicContact CG1-CE1 3.92Å; V11-F13 HydrophobicContact CG1-CE2 4.46Å; V11-F13 HydrophobicContact CG1-CZ 4.02Å; V11-F13 WeakPolarHBondContact O-CD2 3.01Å; V11-F13 WeakPolarHBondContact O-CE2 2.88Å; V11-F13 PolarHBondContact O-N 3.1Å; F13-K65 HydrophobicContact CB-CB 3.72Å; F13-K65 HydrophobicContact CB-CD 4.02Å; F13-K65 HydrophobicContact CB-CG 4.24Å; F13-K65 HydrophobicContact CD2-CB 3.78Å; F13-K65 HydrophobicContact CD2-CD 3.52Å; F13-K65 HydrophobicContact CD2-CG 4.24Å; F13-K65 HydrophobicContact CE2-CD 4.43Å; F13-K65 HydrophobicContact CG-CB 3.86Å; F13-K65 HydrophobicContact CG-CD 4.19Å; F13-K66 HydrophobicContact CE1-CG 4.45Å
14W70.3Confident65.2Low31 Ų3188.8 Ų88.812%0.11750%0.499CS..  trans-133.7151-174.1-60.298.4000110.7E12 R20 E91 D93E12-W14 HydrophobicContact CG-CZ2 4.06Å; E12-W14 PolarHBondContact OE2-NE1 3.31Å; E12-W14 VanDerWaalsContact OE2-NE1 3.1Å; W14-R20 HydrophobicContact CE3-CG 4.17Å; W14-R20 VanDerWaalsContact CG-NE 3.33Å; W14-R20 VanDerWaalsContact CG-NH1 3.26Å; W14-R20 HydrophobicContact CZ3-CG 4.47Å; W14-E91 HydrophobicContact CE3-CB 3.91Å; W14-E91 VanDerWaalsContact CE3-CD 3.45Å; W14-E91 HydrophobicContact CE3-CG 3.52Å; W14-E91 HydrophobicContact CZ3-CB 4.06Å; W14-E91 HydrophobicContact CZ3-CG 3.72Å; W14-E91 WeakPolarHBondContact CZ3-O 3.47Å; W14-D93 WeakPolarHBondContact CH2-OD1 3.39Å
15V74.4Confident67.7Low1 Ų187.9 Ų87.91%0.00648%0.482CS..  trans-66.8137.1174.1-179.60000110.2G17 S18 V68 I72 I89 E91 I96V15-G17 PolarHBondContact O-N 3.24Å; V15-S18 PolarHBondContact O-N 3.2Å; V15-S18 PolarHBondContact O-OG 2.71Å; V15-V68 HydrophobicContact CG2-CG1 4.18Å; V15-I72 HydrophobicContact CG1-CB 3.94Å; V15-I72 HydrophobicContact CG1-CG2 3.74Å; V15-I72 HydrophobicContact CG2-CD1 4.38Å; V15-I89 HydrophobicContact CG1-CD1 3.9Å; V15-E91 WeakPolarHBondContact CB-OE2 3.4Å; V15-E91 PolarHBondContact N-OE1 3.17Å; V15-E91 PolarHBondContact N-OE2 2.79Å; V15-I96 HydrophobicContact CG2-CD1 4.36Å
16D75.3Confident70.1Confident80 Ų8081.2 Ų81.243%0.42846%0.464SS..THydrogen-bonded Turntrans-69.9125.3177.9-66-37.4000110.2R69D16-R69 IonicContact OD1-CZ 2.73Å; D16-R69 IonicContact OD1-NE 3.47Å; D16-R69 PolarHBondContact OD1-NE 3.16Å; D16-R69 IonicContact OD1-NH2 3.17Å; D16-R69 PolarHBondContact OD1-NH2 2.78Å; D16-R69 IonicContact OD2-CZ 2.85Å; D16-R69 IonicContact OD2-NE 3.35Å; D16-R69 PolarHBondContact OD2-NE 3.36Å; D16-R69 IonicContact OD2-NH2 3.13Å
17G78.3Confident72.4Confident62 Ų6277.9 Ų77.964%0.63944%0.437SS*.THydrogen-bonded Turntrans87.83.9-176.100000115.1V15V15-G17 PolarHBondContact O-N 3.24Å
18S84.3Confident74.9Confident15 Ų1574.6 Ų74.611%0.10540%0.402CS..  trans-73.2139.5173.165.80000112.4V15 I89 E91V15-S18 PolarHBondContact O-N 3.2Å; V15-S18 PolarHBondContact O-OG 2.71Å; S18-I89 CarbonylContact C-O 3.52Å; S18-I89 WeakPolarHBondContact CA-O 3.49Å; S18-E91 WeakPolarHBondContact CB-OE2 3.36Å; S18-E91 PolarHBondContact OG-OE2 3.45Å
19R88Confident77.4Confident101 Ų10170.8 Ų70.838%0.38138%0.381SS..BIsolated β-bridgetrans-77.2138.9167.4-66.9-166.2-167.8-126.67.9110.2E88 I89 F90 E91R19-E88 WeakPolarHBondContact CD-OE2 3.44Å; R19-E88 IonicContact CZ-OE2 3.93Å; R19-E88 IonicContact NE-OE2 2.79Å; R19-E88 PolarHBondContact NE-OE2 3.27Å; R19-E88 IonicContact NH2-OE2 3.77Å; R19-E88 PolarHBondContact NH2-OE2 2.72Å; R19-I89 PolarHBondContact N-O 3.47Å; R19-F90 HydrophobicContact CB-CD1 3.91Å; R19-F90 HydrophobicContact CB-CE1 3.97Å; R19-F90 HydrophobicContact CG-CE1 4.45Å; R19-E91 PolarHBondContact O-N 2.94Å
20R83.3Confident80Confident130 Ų13066 Ų6649%0.49136%0.361SS..  trans-134.2-5.9-177.6-53.7-176-157.4159.211.3113.3W14 G22W14-R20 HydrophobicContact CE3-CG 4.17Å; W14-R20 VanDerWaalsContact CG-NE 3.33Å; W14-R20 VanDerWaalsContact CG-NH1 3.26Å; W14-R20 HydrophobicContact CZ3-CG 4.47Å; R20-G22 PolarHBondContact O-N 3.45Å
21D81.5Confident82.4Confident127 Ų12762.3 Ų62.368%0.67934%0.344SS*.SBendtrans-82.910.1-178.658.6-37.8000113.3
22G82.1Confident84.5Confident18 Ų1861.1 Ų61.119%0.18634%0.34CS..SBendtrans175.1175.617700000111.3R20 D26R20-G22 PolarHBondContact O-N 3.45Å; G22-D26 VanDerWaalsContact CA-OD2 3.28Å; G22-D26 WeakPolarHBondContact CA-OD2 3.47Å
23T88.7Confident86.4Confident56 Ų5659.3 Ų59.334%0.34433%0.332SS..  trans-94.7169.2173.876.30000111E25 D26 F27T23-E25 WeakPolarHBondContact CB-OE2 3.43Å; T23-E25 PolarHBondContact O-N 2.81Å; T23-E25 PolarHBondContact OG1-N 2.76Å; T23-E25 PolarHBondContact OG1-OE2 2.71Å; T23-D26 PolarHBondContact N-OD2 3.35Å; T23-D26 WeakPolarHBondContact O-CB 3.42Å; T23-D26 PolarHBondContact O-N 2.73Å; T23-D26 VanDerWaalsContact O-N 3.11Å; T23-F27 WeakPolarHBondContact O-CD2 3.44Å
24V92.2Very high87.6Confident9 Ų960.5 Ų60.56%0.05534%0.341CS..Hα-helixtrans-54.4-40.8176.4173.50000110.9D26 F27 Y28 L30 V56 F90 A97V24-D26 PolarHBondContact O-N 2.9Å; V24-F27 PolarHBondContact O-N 2.93Å; V24-F27 VanDerWaalsContact O-N 3.09Å; V24-Y28 HydrophobicContact CG1-CD2 4.17Å; V24-Y28 HydrophobicContact CG1-CG 4.36Å; V24-Y28 WeakPolarHBondContact O-CB 3.32Å; V24-Y28 PolarHBondContact O-N 2.85Å; V24-L30 HydrophobicContact CG1-CD2 4.01Å; V24-V56 HydrophobicContact CG1-CG2 4.12Å; V24-V56 HydrophobicContact CG2-CG2 4.27Å; V24-F90 HydrophobicContact CB-CD2 4.5Å; V24-F90 HydrophobicContact CG2-CB 3.66Å; V24-F90 HydrophobicContact CG2-CD1 4.41Å; V24-F90 HydrophobicContact CG2-CD2 3.63Å; V24-F90 HydrophobicContact CG2-CE2 4.4Å; V24-F90 HydrophobicContact CG2-CG 3.64Å; V24-A97 HydrophobicContact CG2-CB 3.36Å
25E93.2Very high88.3Confident95 Ų9560.3 Ų60.344%0.44435%0.349SS..Hα-helixtrans-65-21.2-176.8-61.279.9-177.300112.9T23 F27 Y28 L30 K48T23-E25 WeakPolarHBondContact CB-OE2 3.43Å; T23-E25 PolarHBondContact O-N 2.81Å; T23-E25 PolarHBondContact OG1-N 2.76Å; T23-E25 PolarHBondContact OG1-OE2 2.71Å; E25-F27 VanDerWaalsContact C-N 3.34Å; E25-Y28 WeakPolarHBondContact CA-O 3.11Å; E25-L30 HydrophobicContact CG-CD1 3.94Å; E25-L30 HydrophobicContact CG-CG 4.31Å; E25-K48 WeakPolarHBondContact O-CE 3.4Å; E25-K48 PolarHBondContact O-NZ 3.2Å
26D93.6Very high88.6Confident93 Ų9367.2 Ų67.250%0.49738%0.375SS..Hα-helixtrans-68.9-36.6174.7-66.7-38.4000110.9G22 T23 V24 K48G22-D26 VanDerWaalsContact CA-OD2 3.28Å; G22-D26 WeakPolarHBondContact CA-OD2 3.47Å; T23-D26 PolarHBondContact N-OD2 3.35Å; T23-D26 WeakPolarHBondContact O-CB 3.42Å; T23-D26 PolarHBondContact O-N 2.73Å; T23-D26 VanDerWaalsContact O-N 3.11Å; V24-D26 PolarHBondContact O-N 2.9Å; D26-K48 WeakPolarHBondContact O-CD 3.45Å; D26-K48 WeakPolarHBondContact O-CE 3.42Å; D26-K48 PolarHBondContact O-NZ 3.39Å
27F94.6Very high88.5Confident54 Ų5465.3 Ų65.324%0.23737%0.374CS..Hα-helixtrans-103.7-23.1-174.4-60.4-91000113.8T23 V24 E25 K48 F90T23-F27 WeakPolarHBondContact O-CD2 3.44Å; V24-F27 PolarHBondContact O-N 2.93Å; V24-F27 VanDerWaalsContact O-N 3.09Å; E25-F27 VanDerWaalsContact C-N 3.34Å; F27-K48 WeakPolarHBondContact O-CB 3.31Å; F27-K48 WeakPolarHBondContact O-CG 3.28Å; F27-K48 PolarHBondContact O-N 3.04Å; F27-F90 HydrophobicContact CB-CZ 4.15Å; F27-F90 AromaticContact CD2-CE1 3.42Å; F27-F90 HydrophobicContact CD2-CE1 3.42Å; F27-F90 VanDerWaalsContact CD2-CE1 3.42Å; F27-F90 AromaticContact CD2-CZ 3.75Å; F27-F90 HydrophobicContact CD2-CZ 3.75Å; F27-F90 AromaticContact CE2-CE1 3.79Å; F27-F90 HydrophobicContact CE2-CE1 3.79Å; F27-F90 HydrophobicContact CE2-CZ 4.44Å; F27-F90 HydrophobicContact CG-CE1 4.21Å; F27-F90 HydrophobicContact CG-CZ 4.08Å
28Y96.9Very high88Confident2 Ų267.1 Ų67.11%0.00838%0.383CS..EExtended strand (participates in β ladder)trans-128.3138.6-173.5-65.4-93.5000111.9V24 E25 C45 E46 E47 F54 K87 E88 F90 V99V24-Y28 HydrophobicContact CG1-CD2 4.17Å; V24-Y28 HydrophobicContact CG1-CG 4.36Å; V24-Y28 WeakPolarHBondContact O-CB 3.32Å; V24-Y28 PolarHBondContact O-N 2.85Å; E25-Y28 WeakPolarHBondContact CA-O 3.11Å; Y28-C45 HydrophobicContact CD1-CB 4.46Å; Y28-E46 CarbonylContact C-O 3.59Å; Y28-E46 VanDerWaalsContact CA-O 3.26Å; Y28-E46 WeakPolarHBondContact CA-O 3.26Å; Y28-E47 HydrophobicContact CD1-CB 4.03Å; Y28-E47 HydrophobicContact CE1-CB 3.69Å; Y28-E47 HydrophobicContact CE1-CG 4.3Å; Y28-F54 HydrophobicContact CD1-CD2 4.42Å; Y28-F54 AromaticContact CE1-CD2 3.74Å; Y28-F54 HydrophobicContact CE1-CD2 3.74Å; Y28-F54 HydrophobicContact CE1-CE2 4.25Å; Y28-F54 HydrophobicContact CE1-CG 4.35Å; Y28-K87 WeakPolarHBondContact OH-CE 3.46Å; Y28-K87 PolarHBondContact OH-NZ 2.94Å; Y28-E88 PolarHBondContact OH-OE1 3.25Å; Y28-F90 HydrophobicContact CD2-CE2 4.17Å; Y28-F90 HydrophobicContact CD2-CZ 4.28Å; Y28-F90 AromaticContact CE2-CE2 3.73Å; Y28-F90 HydrophobicContact CE2-CE2 3.73Å; Y28-F90 AromaticContact CE2-CZ 3.91Å; Y28-F90 HydrophobicContact CE2-CZ 3.91Å; Y28-V99 HydrophobicContact CD2-CG2 4.43Å; Y28-V99 HydrophobicContact CE1-CG1 3.82Å; Y28-V99 HydrophobicContact CE2-CG1 4.49Å; Y28-V99 HydrophobicContact CE2-CG2 3.98Å
29G96.8Very high87.3Confident35 Ų3568.1 Ų68.136%0.36139%0.389SS..EExtended strand (participates in β ladder)trans-82.4115.6165.100000110C45 E46G29-C45 CarbonylContact O-C 3.58Å; G29-C45 WeakPolarHBondContact O-CA 3.3Å; G29-E46 PolarHBondContact N-O 3.38Å; G29-E46 PolarHBondContact O-N 3.24Å
30L95.8Very high86.9Confident72 Ų7264 Ų6438%0.37738%0.375SS..EExtended strand (participates in β ladder)trans-75.4137.8175.4-60.5-174.2000110.9V24 E25 C45 V56V24-L30 HydrophobicContact CG1-CD2 4.01Å; E25-L30 HydrophobicContact CG-CD1 3.94Å; E25-L30 HydrophobicContact CG-CG 4.31Å; L30-C45 HydrophobicContact CD2-CB 3.88Å; L30-V56 HydrophobicContact CD2-CG1 3.56Å
31G94.1Very high87.1Confident40 Ų4059.7 Ų59.741%0.41236%0.361SS..EExtended strand (participates in β ladder)trans-117.3-145.9177.900000112.3R44G31-R44 WeakPolarHBondContact CA-O 3.41Å; G31-R44 PolarHBondContact N-O 2.92Å
32S93.9Very high87.6Confident75 Ų7555.2 Ų55.252%0.52434%0.338SS..EExtended strand (participates in β ladder)trans-65.1147.6-177.956.40000112.9L34 R44S32-L34 PolarHBondContact O-N 3.42Å; S32-R44 PolarHBondContact O-N 3.43Å
33E94.2Very high88.2Confident85 Ų8557.1 Ų57.140%0.39734%0.34SS..EExtended strand (participates in β ladder)trans-63.4128.4167-175.6172.5145.400110.1R36 I41 Y43E33-R36 VanDerWaalsContact CD-NH2 3.35Å; E33-R36 WeakPolarHBondContact OE1-CB 2.78Å; E33-R36 IonicContact OE1-CZ 3.74Å; E33-R36 IonicContact OE1-NE 3.75Å; E33-R36 PolarHBondContact OE1-NE 3.01Å; E33-R36 IonicContact OE1-NH2 2.76Å; E33-R36 PolarHBondContact OE1-NH2 3.34Å; E33-R36 IonicContact OE2-CZ 3.85Å; E33-R36 IonicContact OE2-NE 2.64Å; E33-R36 IonicContact OE2-NH2 3.08Å; E33-R36 PolarHBondContact OE2-NH2 3.19Å; E33-I41 HydrophobicContact CG-CG2 3.89Å; E33-Y43 HydrophobicContact CB-CD1 4.15Å; E33-Y43 HydrophobicContact CB-CE1 4.09Å; E33-Y43 HydrophobicContact CG-CE1 4.5Å
34L88.9Confident88.6Confident89 Ų8958.6 Ų58.647%0.46634%0.34SS..EExtended strand (participates in β ladder)trans-96.3-28.2176.6-63.1176.5000111.7S32 V42 R44 A55 L102S32-L34 PolarHBondContact O-N 3.42Å; L34-V42 HydrophobicContact CB-CB 4.45Å; L34-V42 HydrophobicContact CB-CG1 4.23Å; L34-V42 HydrophobicContact CD1-CG1 4.35Å; L34-V42 PolarHBondContact N-O 3.04Å; L34-R44 HydrophobicContact CD1-CB 4.07Å; L34-R44 HydrophobicContact CD2-CB 4.15Å; L34-R44 HydrophobicContact CG-CB 4.12Å; L34-A55 HydrophobicContact CD1-CB 4.06Å; L34-L102 HydrophobicContact CD1-CD1 3.74Å
35G83.4Confident88.8Confident28 Ų2858.2 Ų58.229%0.28934%0.337SS..EExtended strand (participates in β ladder)trans-176.5160.7179.300000113.3V42G35-V42 PolarHBondContact N-O 3.22Å; G35-V42 PolarHBondContact O-N 3.2Å
36R82.4Confident89Confident145 Ų14556.2 Ų56.255%0.54733%0.328SS..EExtended strand (participates in β ladder)trans-138.3126.2-177.8-179.5176.7-63-96.52.1111.1E33 I41E33-R36 VanDerWaalsContact CD-NH2 3.35Å; E33-R36 WeakPolarHBondContact OE1-CB 2.78Å; E33-R36 IonicContact OE1-CZ 3.74Å; E33-R36 IonicContact OE1-NE 3.75Å; E33-R36 PolarHBondContact OE1-NE 3.01Å; E33-R36 IonicContact OE1-NH2 2.76Å; E33-R36 PolarHBondContact OE1-NH2 3.34Å; E33-R36 IonicContact OE2-CZ 3.85Å; E33-R36 IonicContact OE2-NE 2.64Å; E33-R36 IonicContact OE2-NH2 3.08Å; E33-R36 PolarHBondContact OE2-NH2 3.19Å; R36-I41 HydrophobicContact CG-CG1 4.38Å
37G71.7Confident89.2Confident40 Ų4053.4 Ų53.441%0.41231%0.312SS..  trans-103-174.5169.600000111.6T39 S40G37-T39 PolarHBondContact O-N 3.09Å; G37-S40 PolarHBondContact N-O 2.8Å
38A67.9Low89.3Confident100 Ų10055.8 Ų55.883%0.82632%0.322SS*.SBendtrans-65-37.6178.500000113
39T69.5Low89.2Confident37 Ų3763.7 Ų63.723%0.22736%0.359CS..SBendtrans-125.95.9-174.154.90000113.5G37 K60G37-T39 PolarHBondContact O-N 3.09Å; T39-K60 PolarHBondContact O-N 3.33Å
40S80.3Confident89.2Confident13 Ų1365.9 Ų65.99%0.09137%0.365CS..EExtended strand (participates in β ladder)trans-144149.8-177.266.70000113.1G37 K57 V58G37-S40 PolarHBondContact N-O 2.8Å; S40-K57 VanDerWaalsContact CB-CE 3.49Å; S40-K57 VanDerWaalsContact OG-CE 3.24Å; S40-K57 WeakPolarHBondContact OG-CE 3.4Å; S40-V58 CarbonylContact C-O 3.6Å; S40-V58 WeakPolarHBondContact CA-O 2.97Å; S40-V58 WeakPolarHBondContact CB-O 3.19Å
41I87.8Confident89.2Confident40 Ų4068 Ų6821%0.20537%0.373CS..EExtended strand (participates in β ladder)trans-126.7140.6172.2-49.8165.6000108.3E33 R36 Y43 K57 V58E33-I41 HydrophobicContact CG-CG2 3.89Å; R36-I41 HydrophobicContact CG-CG1 4.38Å; I41-Y43 HydrophobicContact CB-CE2 3.82Å; I41-Y43 HydrophobicContact CG2-CD2 4.17Å; I41-Y43 HydrophobicContact CG2-CE1 4.08Å; I41-Y43 HydrophobicContact CG2-CE2 3.48Å; I41-Y43 VanDerWaalsContact CG2-CE2 3.48Å; I41-Y43 VanDerWaalsContact CG2-CZ 3.43Å; I41-K57 WeakPolarHBondContact O-CA 3.17Å; I41-V58 PolarHBondContact N-O 3.01Å; I41-V58 PolarHBondContact O-N 2.84Å
42V91.3Very high89.3Confident33 Ų3372 Ų7220%0.238%0.38CS..EExtended strand (participates in β ladder)trans-113.1127.8178-170.90000108.9L34 G35 A55 V56 K57L34-V42 HydrophobicContact CB-CB 4.45Å; L34-V42 HydrophobicContact CB-CG1 4.23Å; L34-V42 HydrophobicContact CD1-CG1 4.35Å; L34-V42 PolarHBondContact N-O 3.04Å; G35-V42 PolarHBondContact N-O 3.22Å; G35-V42 PolarHBondContact O-N 3.2Å; V42-A55 HydrophobicContact CG1-CB 4.22Å; V42-V56 CarbonylContact C-O 3.16Å; V42-V56 VanDerWaalsContact CA-O 3.29Å; V42-V56 WeakPolarHBondContact CA-O 3.08Å; V42-K57 HydrophobicContact CG2-CB 4.08Å; V42-K57 HydrophobicContact CG2-CD 4.25Å; V42-K57 HydrophobicContact CG2-CG 3.95Å
43Y95.3Very high89.5Confident58 Ų5871 Ų7123%0.22737%0.371CS..EExtended strand (participates in β ladder)trans-117.2147.5176.1-61-85.7000110.4E33 I41 A55 V56 V58E33-Y43 HydrophobicContact CB-CD1 4.15Å; E33-Y43 HydrophobicContact CB-CE1 4.09Å; E33-Y43 HydrophobicContact CG-CE1 4.5Å; I41-Y43 HydrophobicContact CB-CE2 3.82Å; I41-Y43 HydrophobicContact CG2-CD2 4.17Å; I41-Y43 HydrophobicContact CG2-CE1 4.08Å; I41-Y43 HydrophobicContact CG2-CE2 3.48Å; I41-Y43 VanDerWaalsContact CG2-CE2 3.48Å; I41-Y43 VanDerWaalsContact CG2-CZ 3.43Å; Y43-A55 CarbonylContact O-C 3.6Å; Y43-A55 WeakPolarHBondContact O-CA 3.49Å; Y43-V56 PolarHBondContact N-O 3.23Å; Y43-V56 PolarHBondContact O-N 3.23Å; Y43-V58 HydrophobicContact CD2-CG2 4.43Å
44R96.4Very high89.6Confident88 Ų8867.6 Ų67.633%0.33236%0.355SS..EExtended strand (participates in β ladder)trans-66.5138.9159-174.1-177.7-179.5-81.61.5107.1G31 S32 L34 E46 L102G31-R44 WeakPolarHBondContact CA-O 3.41Å; G31-R44 PolarHBondContact N-O 2.92Å; S32-R44 PolarHBondContact O-N 3.43Å; L34-R44 HydrophobicContact CD1-CB 4.07Å; L34-R44 HydrophobicContact CD2-CB 4.15Å; L34-R44 HydrophobicContact CG-CB 4.12Å; R44-E46 IonicContact NH1-OE2 3.72Å; R44-E46 PolarHBondContact NH1-OE2 2.95Å; R44-E46 IonicContact NH2-OE2 2.97Å; R44-L102 HydrophobicContact CG-CD2 4.33Å
45C97.2Very high90Very high0 Ų063.8 Ų63.80%034%0.337CS..EExtended strand (participates in β ladder)trans-139.3166.8170.966.40000111.3Y28 G29 L30 P53 F54 V56Y28-C45 HydrophobicContact CD1-CB 4.46Å; G29-C45 CarbonylContact O-C 3.58Å; G29-C45 WeakPolarHBondContact O-CA 3.3Å; L30-C45 HydrophobicContact CD2-CB 3.88Å; C45-P53 WeakPolarHBondContact O-CA 3.42Å; C45-F54 PolarHBondContact N-O 3.26Å; C45-F54 PolarHBondContact O-N 3.11Å; C45-F54 VanDerWaalsContact O-O 3.09Å; C45-V56 HydrophobicContact CB-CG1 4.11Å
46E97.6Very high90.5Very high54 Ų5462.5 Ų62.525%0.25232%0.323SS..EExtended strand (participates in β ladder)trans-135.6127.3-179.2-165.9165.914400109.7Y28 G29 R44 K48 Q51 K52Y28-E46 CarbonylContact C-O 3.59Å; Y28-E46 VanDerWaalsContact CA-O 3.26Å; Y28-E46 WeakPolarHBondContact CA-O 3.26Å; G29-E46 PolarHBondContact N-O 3.38Å; G29-E46 PolarHBondContact O-N 3.24Å; R44-E46 IonicContact NH1-OE2 3.72Å; R44-E46 PolarHBondContact NH1-OE2 2.95Å; R44-E46 IonicContact NH2-OE2 2.97Å; E46-K48 PolarHBondContact O-N 3.47Å; E46-Q51 WeakPolarHBondContact CG-O 3.42Å; E46-Q51 WeakPolarHBondContact OE1-CB 3.38Å; E46-Q51 PolarHBondContact OE1-OE1 2.7Å; E46-K52 WeakPolarHBondContact CA-O 3.36Å
47E97.2Very high91Very high33 Ų3356 Ų5615%0.15430%0.299CS..EExtended strand (participates in β ladder)trans-67.9121.1-179.8175.4171.7-133.600110Y28 Q49 T50 Q51 K52 F54 K87Y28-E47 HydrophobicContact CD1-CB 4.03Å; Y28-E47 HydrophobicContact CE1-CB 3.69Å; Y28-E47 HydrophobicContact CE1-CG 4.3Å; E47-Q49 VanDerWaalsContact C-N 3.27Å; E47-Q49 PolarHBondContact O-N 3.39Å; E47-T50 WeakPolarHBondContact CB-OG1 3.4Å; E47-T50 VanDerWaalsContact CD-OG1 3.3Å; E47-T50 HydrophobicContact CG-CG2 4.38Å; E47-T50 WeakPolarHBondContact CG-OG1 3.37Å; E47-T50 PolarHBondContact O-N 2.98Å; E47-T50 WeakPolarHBondContact OE2-CG2 3.49Å; E47-T50 PolarHBondContact OE2-OG1 2.8Å; E47-Q51 VanDerWaalsContact O-CA 3.23Å; E47-Q51 WeakPolarHBondContact O-CA 3.41Å; E47-Q51 PolarHBondContact O-N 2.91Å; E47-K52 PolarHBondContact N-O 2.78Å; E47-F54 HydrophobicContact CB-CD2 4.17Å; E47-F54 HydrophobicContact CB-CE2 3.86Å; E47-K87 IonicContact OE1-NZ 2.69Å; E47-K87 PolarHBondContact OE1-NZ 2.83Å; E47-K87 IonicContact OE2-NZ 3.39Å; E47-K87 PolarHBondContact OE2-NZ 3.26Å
48K96.3Very high91.8Very high104 Ų10456 Ų5645%0.45229%0.291SS..THydrogen-bonded Turntrans-60.5-35.5-172.6-70.4179.7-173.91730113.3E25 D26 F27 E46 Q51E25-K48 WeakPolarHBondContact O-CE 3.4Å; E25-K48 PolarHBondContact O-NZ 3.2Å; D26-K48 WeakPolarHBondContact O-CD 3.45Å; D26-K48 WeakPolarHBondContact O-CE 3.42Å; D26-K48 PolarHBondContact O-NZ 3.39Å; F27-K48 WeakPolarHBondContact O-CB 3.31Å; F27-K48 WeakPolarHBondContact O-CG 3.28Å; F27-K48 PolarHBondContact O-N 3.04Å; E46-K48 PolarHBondContact O-N 3.47Å; K48-Q51 PolarHBondContact O-NE2 3.06Å
49Q95.1Very high92.6Very high169 Ų16951.4 Ų51.479%0.7925%0.252SS*.THydrogen-bonded Turntrans-73.6-38.8-177.1-66.6-176.33.600113E47E47-Q49 VanDerWaalsContact C-N 3.27Å; E47-Q49 PolarHBondContact O-N 3.39Å
50T96.4Very high93Very high80 Ų8055 Ų5549%0.49126%0.264SS..THydrogen-bonded Turntrans-109.3-12.3-170.265.80000113.1E47 K52E47-T50 WeakPolarHBondContact CB-OG1 3.4Å; E47-T50 VanDerWaalsContact CD-OG1 3.3Å; E47-T50 HydrophobicContact CG-CG2 4.38Å; E47-T50 WeakPolarHBondContact CG-OG1 3.37Å; E47-T50 PolarHBondContact O-N 2.98Å; E47-T50 WeakPolarHBondContact OE2-CG2 3.49Å; E47-T50 PolarHBondContact OE2-OG1 2.8Å; T50-K52 PolarHBondContact O-N 3.46Å; T50-K52 VanDerWaalsContact OG1-CB 3.26Å; T50-K52 WeakPolarHBondContact OG1-CB 3.2Å; T50-K52 PolarHBondContact OG1-N 2.82Å; T50-K52 VanDerWaalsContact OG1-N 3.17Å
51Q96.2Very high92.8Very high117 Ų11757.2 Ų57.255%0.54727%0.272SS..  trans56.921-169.2-55.9-63.7-75.300113E46 E47 K48E46-Q51 WeakPolarHBondContact CG-O 3.42Å; E46-Q51 WeakPolarHBondContact OE1-CB 3.38Å; E46-Q51 PolarHBondContact OE1-OE1 2.7Å; E47-Q51 VanDerWaalsContact O-CA 3.23Å; E47-Q51 WeakPolarHBondContact O-CA 3.41Å; E47-Q51 PolarHBondContact O-N 2.91Å; K48-Q51 PolarHBondContact O-NE2 3.06Å
52K97.1Very high91.7Very high125 Ų12558.8 Ų58.854%0.54328%0.284SS..  trans-79.8133.2179.8-173.4173.1176179.50110.3E46 E47 T50 F54E46-K52 WeakPolarHBondContact CA-O 3.36Å; E47-K52 PolarHBondContact N-O 2.78Å; T50-K52 PolarHBondContact O-N 3.46Å; T50-K52 VanDerWaalsContact OG1-CB 3.26Å; T50-K52 WeakPolarHBondContact OG1-CB 3.2Å; T50-K52 PolarHBondContact OG1-N 2.82Å; T50-K52 VanDerWaalsContact OG1-N 3.17Å; K52-F54 HydrophobicContact CB-CE2 3.79Å; K52-F54 HydrophobicContact CB-CZ 4.25Å; K52-F54 HydrophobicContact CD-CE2 4.13Å; K52-F54 HydrophobicContact CD-CZ 3.7Å; K52-F54 HydrophobicContact CG-CE2 3.82Å; K52-F54 HydrophobicContact CG-CZ 3.86Å; K52-F54 WeakPolarHBondContact O-CD2 3.35Å; K52-F54 WeakPolarHBondContact O-CE2 3.15Å
53P97.1Very high90.1Very high54 Ų5459.9 Ų59.935%0.35129%0.288SS..EExtended strand (participates in β ladder)trans-79.6144.9-179.332.3-36.5000112.5C45 L102C45-P53 WeakPolarHBondContact O-CA 3.42Å; P53-L102 HydrophobicContact CB-CD2 3.89Å
54F97.3Very high88.1Confident13 Ų1362.9 Ų62.96%0.05731%0.308CS..EExtended strand (participates in β ladder)trans-143.8174.7179.2-67-79000110.6Y28 C45 E47 K52 K87 V99 L100Y28-F54 HydrophobicContact CD1-CD2 4.42Å; Y28-F54 AromaticContact CE1-CD2 3.74Å; Y28-F54 HydrophobicContact CE1-CD2 3.74Å; Y28-F54 HydrophobicContact CE1-CE2 4.25Å; Y28-F54 HydrophobicContact CE1-CG 4.35Å; C45-F54 PolarHBondContact N-O 3.26Å; C45-F54 PolarHBondContact O-N 3.11Å; C45-F54 VanDerWaalsContact O-O 3.09Å; E47-F54 HydrophobicContact CB-CD2 4.17Å; E47-F54 HydrophobicContact CB-CE2 3.86Å; K52-F54 HydrophobicContact CB-CE2 3.79Å; K52-F54 HydrophobicContact CB-CZ 4.25Å; K52-F54 HydrophobicContact CD-CE2 4.13Å; K52-F54 HydrophobicContact CD-CZ 3.7Å; K52-F54 HydrophobicContact CG-CE2 3.82Å; K52-F54 HydrophobicContact CG-CZ 3.86Å; K52-F54 WeakPolarHBondContact O-CD2 3.35Å; K52-F54 WeakPolarHBondContact O-CE2 3.15Å; F54-K87 HydrophobicContact CD1-CD 4.22Å; F54-K87 HydrophobicContact CE1-CD 3.59Å; F54-K87 HydrophobicContact CE2-CD 4.24Å; F54-K87 HydrophobicContact CZ-CD 3.59Å; F54-V99 HydrophobicContact CB-CG1 3.91Å; F54-V99 HydrophobicContact CD1-CG1 4.23Å; F54-V99 HydrophobicContact CG-CG1 4.02Å; F54-L100 WeakPolarHBondContact CB-O 3.26Å; F54-L100 WeakPolarHBondContact CD1-O 3.17Å
55A96.1Very high86.2Confident9 Ų964 Ų647%0.07432%0.315CS..EExtended strand (participates in β ladder)trans-114.1140164.100000108.8L34 V42 Y43 L100 L102L34-A55 HydrophobicContact CD1-CB 4.06Å; V42-A55 HydrophobicContact CG1-CB 4.22Å; Y43-A55 CarbonylContact O-C 3.6Å; Y43-A55 WeakPolarHBondContact O-CA 3.49Å; A55-L100 PolarHBondContact N-O 3.14Å; A55-L100 PolarHBondContact O-N 3.2Å; A55-L102 HydrophobicContact CB-CD1 4.09Å
56V95.1Very high83.9Confident0 Ų071.3 Ų71.30%035%0.347CS..EExtended strand (participates in β ladder)trans-115.3122.6170.762.40000110V24 L30 V42 Y43 C45 V58 A97 L98 V99V24-V56 HydrophobicContact CG1-CG2 4.12Å; V24-V56 HydrophobicContact CG2-CG2 4.27Å; L30-V56 HydrophobicContact CD2-CG1 3.56Å; V42-V56 CarbonylContact C-O 3.16Å; V42-V56 VanDerWaalsContact CA-O 3.29Å; V42-V56 WeakPolarHBondContact CA-O 3.08Å; Y43-V56 PolarHBondContact N-O 3.23Å; Y43-V56 PolarHBondContact O-N 3.23Å; C45-V56 HydrophobicContact CB-CG1 4.11Å; V56-V58 HydrophobicContact CG2-CG2 4.24Å; V56-A97 HydrophobicContact CG2-CB 3.9Å; V56-L98 CarbonylContact C-O 3.59Å; V56-L98 VanDerWaalsContact CA-O 3.31Å; V56-L98 WeakPolarHBondContact CA-O 3.45Å; V56-V99 HydrophobicContact CG2-CG2 4.44Å
57K91.4Very high81.8Confident10 Ų1072.8 Ų72.84%0.04336%0.356CS..EExtended strand (participates in β ladder)trans-99.2114.6172.7-179.7170.8-178.7171.50109S40 I41 V42 L59 A97 L98 L100 D167S40-K57 VanDerWaalsContact CB-CE 3.49Å; S40-K57 VanDerWaalsContact OG-CE 3.24Å; S40-K57 WeakPolarHBondContact OG-CE 3.4Å; I41-K57 WeakPolarHBondContact O-CA 3.17Å; V42-K57 HydrophobicContact CG2-CB 4.08Å; V42-K57 HydrophobicContact CG2-CD 4.25Å; V42-K57 HydrophobicContact CG2-CG 3.95Å; K57-L59 HydrophobicContact CG-CD1 4.02Å; K57-L59 HydrophobicContact CG-CG 4.33Å; K57-A97 CarbonylContact O-C 3.55Å; K57-A97 WeakPolarHBondContact O-CA 3.42Å; K57-L98 HydrophobicContact CB-CB 4.44Å; K57-L98 PolarHBondContact N-O 2.68Å; K57-L98 PolarHBondContact O-N 3.48Å; K57-L100 HydrophobicContact CB-CD1 4.09Å; K57-D167 IonicContact NZ-OD1 2.67Å; K57-D167 PolarHBondContact NZ-OD1 3.29Å; K57-D167 IonicContact NZ-OD2 2.78Å; K57-D167 PolarHBondContact NZ-OD2 2.97Å
58V89.6Confident79.8Confident40 Ų4072 Ų7224%0.24235%0.353CS..EExtended strand (participates in β ladder)trans-99125.2178.1-172.90000108.9S40 I41 Y43 V56 D95 I96 A97S40-V58 CarbonylContact C-O 3.6Å; S40-V58 WeakPolarHBondContact CA-O 2.97Å; S40-V58 WeakPolarHBondContact CB-O 3.19Å; I41-V58 PolarHBondContact N-O 3.01Å; I41-V58 PolarHBondContact O-N 2.84Å; Y43-V58 HydrophobicContact CD2-CG2 4.43Å; V56-V58 HydrophobicContact CG2-CG2 4.24Å; V58-D95 HydrophobicContact CG1-CB 4.3Å; V58-I96 CarbonylContact C-O 3.59Å; V58-I96 WeakPolarHBondContact CA-O 3.31Å; V58-A97 HydrophobicContact CG2-CB 4.21Å
59L83.9Confident78.1Confident3 Ų372.1 Ų72.12%0.01635%0.351CS..EExtended strand (participates in β ladder)trans-117.5133.9179.7-54.896.4000109.7K57 D95 I96 L98 L170 I174K57-L59 HydrophobicContact CG-CD1 4.02Å; K57-L59 HydrophobicContact CG-CG 4.33Å; L59-D95 WeakPolarHBondContact O-CA 3.45Å; L59-I96 WeakPolarHBondContact CD1-O 3.13Å; L59-I96 PolarHBondContact N-O 2.8Å; L59-I96 PolarHBondContact O-N 3.49Å; L59-L98 HydrophobicContact CD1-CD1 3.7Å; L59-L98 HydrophobicContact CD1-CG 3.85Å; L59-L170 HydrophobicContact CD2-CB 4.46Å; L59-I174 HydrophobicContact CB-CD1 4.17Å; L59-I174 HydrophobicContact CD2-CD1 3.65Å; L59-I174 HydrophobicContact CG-CD1 4.47Å
60K79Confident76.3Confident111 Ų11169.1 Ų69.148%0.48334%0.344SS..EExtended strand (participates in β ladder)trans-76.9131.8172.8-71.9-78.5165.6-152.10109.9T39 T62 D95T39-K60 PolarHBondContact O-N 3.33Å; K60-T62 HydrophobicContact CB-CG2 4.22Å; K60-T62 PolarHBondContact O-N 3.5Å; K60-D95 WeakPolarHBondContact CD-OD1 3.37Å; K60-D95 WeakPolarHBondContact CE-OD1 3.5Å; K60-D95 VanDerWaalsContact NZ-CG 3.28Å; K60-D95 IonicContact NZ-OD1 3.84Å; K60-D95 PolarHBondContact NZ-OD1 3.5Å; K60-D95 IonicContact NZ-OD2 3.4Å; K60-D95 PolarHBondContact NZ-OD2 2.87Å
61K75.8Confident74.7Confident60 Ų6068.5 Ų68.526%0.26134%0.336SS..  trans-74.392.7170.3-68.9178.8170.2-174.30108.8E91 T92 D93 T94 I96K61-E91 VanDerWaalsContact CE-OE1 3.31Å; K61-E91 WeakPolarHBondContact CE-OE1 3.49Å; K61-E91 IonicContact NZ-OE1 3.84Å; K61-E91 PolarHBondContact NZ-OE1 3.49Å; K61-T92 VanDerWaalsContact CE-O 3.26Å; K61-T92 WeakPolarHBondContact CE-O 3.47Å; K61-T92 PolarHBondContact NZ-O 3.37Å; K61-D93 WeakPolarHBondContact CD-O 3.5Å; K61-T94 WeakPolarHBondContact CB-O 3.38Å; K61-T94 PolarHBondContact N-O 3.38Å; K61-I96 HydrophobicContact CD-CG1 4.36Å; K61-I96 VanDerWaalsContact CE-CG1 3.44Å; K61-I96 HydrophobicContact CG-CD1 4.3Å; K61-I96 HydrophobicContact CG-CG1 4.05Å
62T65.5Low73.3Confident73 Ų7363 Ų6345%0.44831%0.31SS..  trans-88.7-27.7-177.843.20000113.3K60K60-T62 HydrophobicContact CB-CG2 4.22Å; K60-T62 PolarHBondContact O-N 3.5Å
63I56.5Low72Confident56 Ų5657.6 Ų57.629%0.28729%0.291SS..SBendtrans-150.5162.4-170.8-55.5-177000113.5K65 Q177I63-K65 PolarHBondContact O-N 3.46Å; I63-K65 VanDerWaalsContact O-N 3.16Å; I63-Q177 HydrophobicContact CD1-CB 3.53Å; I63-Q177 HydrophobicContact CD1-CG 3.96Å; I63-Q177 HydrophobicContact CG2-CB 4.38Å; I63-Q177 HydrophobicContact CG2-CG 3.63Å; I63-Q177 VanDerWaalsContact CG2-NE2 3.25Å
64D54.3Low70.9Confident122 Ų12257.1 Ų57.165%0.65229%0.287SS*.  trans-38.892.8-164.8-142.7-9.6000118.7K66D64-K66 PolarHBondContact O-N 2.95Å
65K54.8Low70Confident110 Ų11056.9 Ų56.948%0.47829%0.286SS..THydrogen-bonded Turntrans22.9-21.2143.9-63.5-169.3-172.8-169.90123.6F13 I63F13-K65 HydrophobicContact CB-CB 3.72Å; F13-K65 HydrophobicContact CB-CD 4.02Å; F13-K65 HydrophobicContact CB-CG 4.24Å; F13-K65 HydrophobicContact CD2-CB 3.78Å; F13-K65 HydrophobicContact CD2-CD 3.52Å; F13-K65 HydrophobicContact CD2-CG 4.24Å; F13-K65 HydrophobicContact CE2-CD 4.43Å; F13-K65 HydrophobicContact CG-CB 3.86Å; F13-K65 HydrophobicContact CG-CD 4.19Å; I63-K65 PolarHBondContact O-N 3.46Å; I63-K65 VanDerWaalsContact O-N 3.16Å
66K50Low69.4Low154 Ų15458.8 Ų58.867%0.6729%0.294SS*.THydrogen-bonded Turntrans-94.9-34.9-172.1-85.8-176.9177.6177.50115.9F13 D64F13-K66 HydrophobicContact CE1-CG 4.45Å; D64-K66 PolarHBondContact O-N 2.95Å
67I52.5Low68.8Low85 Ų8568.7 Ų68.744%0.43633%0.332SS..SBendtrans-80.6-28.8-172.5-51.3-178.6000111.8R69 I173 D176I67-R69 VanDerWaalsContact C-N 3.28Å; I67-R69 PolarHBondContact O-N 3.05Å; I67-I173 HydrophobicContact CB-CG2 4.29Å; I67-I173 HydrophobicContact CG2-CG2 3.68Å; I67-D176 HydrophobicContact CD1-CB 4.39Å
68V56.7Low68.7Low16 Ų1668.4 Ų68.410%0.09733%0.331CS..Hα-helixtrans-66.6-24.6-175.2-175.40000113.6V15 I72 I96 I174V15-V68 HydrophobicContact CG2-CG1 4.18Å; V68-I72 HydrophobicContact CG1-CD1 3.35Å; V68-I72 HydrophobicContact CG1-CG1 4.16Å; V68-I72 WeakPolarHBondContact O-CB 3.47Å; V68-I72 WeakPolarHBondContact O-CG1 3.43Å; V68-I72 PolarHBondContact O-N 3.21Å; V68-I96 HydrophobicContact CG1-CD1 3.5Å; V68-I96 VanDerWaalsContact CG1-CD1 3.5Å; V68-I174 HydrophobicContact CG1-CG1 4.31Å; V68-I174 HydrophobicContact CG2-CG1 3.76Å
69R59.3Low68.9Low108 Ų10870.3 Ų70.341%0.40835%0.346SS..Hα-helixtrans-71.5-49.9-167.6-173.4179.4-179.9159.38.6114.2D16 I67 G73D16-R69 IonicContact OD1-CZ 2.73Å; D16-R69 IonicContact OD1-NE 3.47Å; D16-R69 PolarHBondContact OD1-NE 3.16Å; D16-R69 IonicContact OD1-NH2 3.17Å; D16-R69 PolarHBondContact OD1-NH2 2.78Å; D16-R69 IonicContact OD2-CZ 2.85Å; D16-R69 IonicContact OD2-NE 3.35Å; D16-R69 PolarHBondContact OD2-NE 3.36Å; D16-R69 IonicContact OD2-NH2 3.13Å; I67-R69 VanDerWaalsContact C-N 3.28Å; I67-R69 PolarHBondContact O-N 3.05Å; R69-G73 PolarHBondContact O-N 3.37Å
70T57.5Low69.4Low106 Ų10671.8 Ų71.865%0.6535%0.353SS*.Hα-helixtrans-78.5-38.7-171-52.60000111.7V74T70-V74 WeakPolarHBondContact O-CG2 3.27Å
71E62.5Low70.3Confident66 Ų6670.5 Ų70.531%0.30836%0.356SS..Hα-helixtrans-76-37.5-175.6-64.2-166.8159.700112R145 I173E71-R145 IonicContact OE1-CZ 3.2Å; E71-R145 IonicContact OE1-NH1 3.38Å; E71-R145 PolarHBondContact OE1-NH1 2.92Å; E71-R145 IonicContact OE1-NH2 3.37Å; E71-R145 PolarHBondContact OE1-NH2 3.35Å; E71-R145 IonicContact OE2-CZ 2.71Å; E71-R145 IonicContact OE2-NH1 3.6Å; E71-R145 PolarHBondContact OE2-NH1 3.05Å; E71-R145 IonicContact OE2-NH2 3.38Å; E71-I173 HydrophobicContact CB-CD1 3.97Å; E71-I173 WeakPolarHBondContact OE2-CD1 3.34Å; E71-I173 WeakPolarHBondContact OE2-CG1 3.43Å
72I68.1Low71.3Confident1 Ų168.1 Ų68.11%0.00535%0.346CS..Hα-helixtrans-70.3-40.1176.5-63.2-174.8000112.1V15 V68 V74 L75 I89 I96 L98 L170V15-I72 HydrophobicContact CG1-CB 3.94Å; V15-I72 HydrophobicContact CG1-CG2 3.74Å; V15-I72 HydrophobicContact CG2-CD1 4.38Å; V68-I72 HydrophobicContact CG1-CD1 3.35Å; V68-I72 HydrophobicContact CG1-CG1 4.16Å; V68-I72 WeakPolarHBondContact O-CB 3.47Å; V68-I72 WeakPolarHBondContact O-CG1 3.43Å; V68-I72 PolarHBondContact O-N 3.21Å; I72-V74 PolarHBondContact O-N 3.23Å; I72-L75 VanDerWaalsContact O-CB 3.27Å; I72-L75 WeakPolarHBondContact O-CB 3.17Å; I72-L75 PolarHBondContact O-N 2.93Å; I72-I89 HydrophobicContact CG2-CD1 3.39Å; I72-I89 HydrophobicContact CG2-CG1 4.38Å; I72-I96 HydrophobicContact CD1-CD1 4.22Å; I72-I96 HydrophobicContact CD1-CG2 4.47Å; I72-L98 HydrophobicContact CG2-CD2 4.29Å; I72-L170 HydrophobicContact CD1-CD1 4.38Å; I72-L170 HydrophobicContact CD1-CD2 4.24Å; I72-L170 HydrophobicContact CG1-CD1 4.18Å; I72-L170 HydrophobicContact CG1-CD2 3.47Å; I72-L170 VanDerWaalsContact CG1-CD2 3.47Å; I72-L170 HydrophobicContact CG1-CG 4.38Å
73G68.8Low72.7Confident13 Ų1364.8 Ų64.813%0.13433%0.325CS..Hα-helixtrans-61.3-30.5-178.800000113.4R69 L75R69-G73 PolarHBondContact O-N 3.37Å; G73-L75 VanDerWaalsContact C-N 3.31Å
74V74.8Confident74.4Confident44 Ų4462.7 Ų62.727%0.26731%0.314SS..Hα-helixtrans-66.4-34.5173.3173.90000111.3T70 I72 L76 R77 L78 V142T70-V74 WeakPolarHBondContact O-CG2 3.27Å; I72-V74 PolarHBondContact O-N 3.23Å; V74-L76 VanDerWaalsContact C-N 3.26Å; V74-L76 PolarHBondContact O-N 2.67Å; V74-R77 PolarHBondContact O-N 3.48Å; V74-L78 HydrophobicContact CG1-CD2 4.23Å; V74-L78 PolarHBondContact O-N 2.77Å; V74-V142 HydrophobicContact CB-CG2 4.37Å; V74-V142 HydrophobicContact CG1-CG2 3.49Å; V74-V142 VanDerWaalsContact CG1-CG2 3.49Å
75L78.7Confident76.2Confident7 Ų759.6 Ų59.64%0.03730%0.296CS..Hα-helixtrans-62.1-31.9-178.3-57.5-176.5000113.3I72 G73 R77 L78 L86 F168 L170I72-L75 VanDerWaalsContact O-CB 3.27Å; I72-L75 WeakPolarHBondContact O-CB 3.17Å; I72-L75 PolarHBondContact O-N 2.93Å; G73-L75 VanDerWaalsContact C-N 3.31Å; L75-R77 PolarHBondContact O-N 2.99Å; L75-L78 HydrophobicContact CD2-CD1 3.54Å; L75-L78 PolarHBondContact O-N 3.39Å; L75-L86 HydrophobicContact CB-CD2 3.73Å; L75-F168 HydrophobicContact CD1-CB 4.3Å; L75-F168 HydrophobicContact CD1-CD2 4.05Å; L75-F168 HydrophobicContact CD1-CG 4.42Å; L75-F168 HydrophobicContact CD2-CB 4.16Å; L75-F168 HydrophobicContact CD2-CD2 4.05Å; L75-F168 HydrophobicContact CD2-CG 3.93Å; L75-L170 HydrophobicContact CD1-CD1 3.53Å; L75-L170 HydrophobicContact CD1-CD2 3.64Å; L75-L170 HydrophobicContact CD1-CG 3.86Å
76L82.2Confident78Confident50 Ų5054.7 Ų54.726%0.26228%0.275SS..THydrogen-bonded Turntrans-61.1-23.8174.9-79.7172.3000112.9V74 L86 I89V74-L76 VanDerWaalsContact C-N 3.26Å; V74-L76 PolarHBondContact O-N 2.67Å; L76-L86 HydrophobicContact CD2-CD2 3.88Å; L76-L86 HydrophobicContact CD2-CG 3.97Å; L76-L86 HydrophobicContact CG-CD2 3.96Å; L76-I89 HydrophobicContact CD1-CD1 3.73Å; L76-I89 HydrophobicContact CD1-CG1 4.43Å; L76-I89 HydrophobicContact CD2-CD1 4.17Å; L76-I89 HydrophobicContact CD2-CG1 4.15Å; L76-I89 HydrophobicContact CG-CD1 3.76Å; L76-I89 HydrophobicContact CG-CG1 4.3Å
77R83.8Confident80Confident207 Ų20750.7 Ų50.778%0.78126%0.257SS*.THydrogen-bonded Turntrans-99.1-10.9-176.9-58.7178.7-177.11612.2112.9V74 L75 S79V74-R77 PolarHBondContact O-N 3.48Å; L75-R77 PolarHBondContact O-N 2.99Å; R77-S79 PolarHBondContact O-N 2.74Å
78L88.5Confident81.9Confident5 Ų547.4 Ų47.43%0.02624%0.24CC..  trans-71.7130.5177-61.4-178.6000109.3V74 L75 Q85 Y136 L137 N140 V142V74-L78 HydrophobicContact CG1-CD2 4.23Å; V74-L78 PolarHBondContact O-N 2.77Å; L75-L78 HydrophobicContact CD2-CD1 3.54Å; L75-L78 PolarHBondContact O-N 3.39Å; L78-Q85 PolarHBondContact O-NE2 3.13Å; L78-Q85 PolarHBondContact O-OE1 3.46Å; L78-Y136 HydrophobicContact CB-CE1 4.04Å; L78-Y136 HydrophobicContact CD2-CD1 4.39Å; L78-Y136 HydrophobicContact CD2-CE1 3.67Å; L78-Y136 HydrophobicContact CG-CE1 4.4Å; L78-L137 HydrophobicContact CD1-CD2 3.59Å; L78-N140 HydrophobicContact CD2-CB 3.79Å; L78-V142 HydrophobicContact CD1-CG2 4.42Å; L78-V142 HydrophobicContact CD2-CG2 4.49Å
79S93Very high83.5Confident79 Ų7946.7 Ų46.755%0.55224%0.236SC*.  trans-146.7111172.8-163.60000109.4R77 Q85 Y136R77-S79 PolarHBondContact O-N 2.74Å; S79-Q85 PolarHBondContact OG-OE1 2.82Å; S79-Y136 PolarHBondContact N-OH 3.3Å; S79-Y136 VanDerWaalsContact O-CZ 3.32Å; S79-Y136 PolarHBondContact O-OH 2.76Å
80H95.8Very high85Confident35 Ų3541.8 Ų41.816%0.16222%0.217CC..  trans-152.1140.2-178.3-174.6-89.3000108.9N82 I83 Y136H80-N82 PolarHBondContact CE1-OD1 3.37Å; H80-N82 PolarHBondContact ND1-N 3.3Å; H80-N82 VanDerWaalsContact ND1-N 3.13Å; H80-N82 PolarHBondContact O-N 3.49Å; H80-N82 VanDerWaalsContact O-N 3.12Å; H80-I83 HydrophobicContact CB-CB 4Å; H80-I83 HydrophobicContact CB-CD1 3.72Å; H80-I83 HydrophobicContact CB-CG1 3.86Å; H80-I83 PolarHBondContact O-N 3.07Å; H80-I83 VanDerWaalsContact O-N 3.11Å; H80-Y136 HydrophobicContact CB-CD1 3.83Å; H80-Y136 HydrophobicContact CB-CD2 4.32Å; H80-Y136 HydrophobicContact CB-CE1 4.03Å; H80-Y136 HydrophobicContact CB-CG 3.97Å; H80-Y136 AromaticContact CD2-CD2 3.8Å; H80-Y136 AromaticContact CD2-CG 3.72Å
81P96.3Very high86.5Confident84 Ų8437.2 Ų37.255%0.54519%0.189SC..THydrogen-bonded Turntrans-55.5-35.1-176.720.2-33.6000113.3K164P81-K164 PolarHBondContact O-NZ 3.43Å
82N97.1Very high87.5Confident10 Ų1036.4 Ų36.45%0.05319%0.189CC..THydrogen-bonded Turntrans-95.318.9-177.3-54.4105.8000115.1H80 Q129 A133 L163 K164 I165H80-N82 PolarHBondContact CE1-OD1 3.37Å; H80-N82 PolarHBondContact ND1-N 3.3Å; H80-N82 VanDerWaalsContact ND1-N 3.13Å; H80-N82 PolarHBondContact O-N 3.49Å; H80-N82 VanDerWaalsContact O-N 3.12Å; N82-Q129 PolarHBondContact ND2-OE1 3Å; N82-A133 HydrophobicContact CB-CB 3.88Å; N82-L163 WeakPolarHBondContact CA-O 3.41Å; N82-L163 VanDerWaalsContact CB-O 3.24Å; N82-L163 WeakPolarHBondContact CB-O 3.38Å; N82-L163 PolarHBondContact ND2-O 3.31Å; N82-K164 WeakPolarHBondContact O-CA 3.28Å; N82-I165 PolarHBondContact O-N 3.41Å
83I94.8Very high88.1Confident3 Ų341.6 Ų41.62%0.01522%0.216CC..BIsolated β-bridgetrans-128.8135.3-179.9-67.4-175.5000107.4H80 Q85 A133 Y136 L137 F168H80-I83 HydrophobicContact CB-CB 4Å; H80-I83 HydrophobicContact CB-CD1 3.72Å; H80-I83 HydrophobicContact CB-CG1 3.86Å; H80-I83 PolarHBondContact O-N 3.07Å; H80-I83 VanDerWaalsContact O-N 3.11Å; I83-Q85 PolarHBondContact O-N 2.92Å; I83-A133 HydrophobicContact CD1-CB 4.29Å; I83-A133 HydrophobicContact CG1-CB 3.81Å; I83-Y136 HydrophobicContact CD1-CD1 3.53Å; I83-Y136 HydrophobicContact CD1-CE1 4.22Å; I83-Y136 HydrophobicContact CD1-CG 4.35Å; I83-L137 HydrophobicContact CD1-CD1 4.4Å; I83-L137 HydrophobicContact CD1-CD2 3.79Å; I83-L137 HydrophobicContact CD1-CG 3.74Å; I83-F168 HydrophobicContact CB-CZ 4.5Å; I83-F168 HydrophobicContact CG2-CE1 3.64Å; I83-F168 HydrophobicContact CG2-CE2 4.37Å; I83-F168 HydrophobicContact CG2-CZ 3.28Å
84I93.4Very high88.6Confident12 Ų1244.9 Ų44.96%0.06223%0.234CC..PPolyproline II helixtrans-64118.8173.1-70.9-166.3000109.5L86 L100 E101 V103 L153 K164 I165 A166I84-L86 PolarHBondContact O-N 3.14Å; I84-L100 HydrophobicContact CG2-CB 3.89Å; I84-L100 HydrophobicContact CG2-CD2 4.12Å; I84-L100 HydrophobicContact CG2-CG 4.4Å; I84-E101 VanDerWaalsContact CA-OE1 3.25Å; I84-E101 WeakPolarHBondContact CA-OE1 3.47Å; I84-E101 HydrophobicContact CB-CG 4.44Å; I84-E101 HydrophobicContact CG2-CG 3.87Å; I84-V103 HydrophobicContact CD1-CG1 4.19Å; I84-V103 HydrophobicContact CD1-CG2 4.01Å; I84-V103 HydrophobicContact CG1-CG1 4.36Å; I84-L153 HydrophobicContact CD1-CD1 4.28Å; I84-K164 HydrophobicContact CG1-CB 3.93Å; I84-K164 HydrophobicContact CG1-CD 4.48Å; I84-I165 PolarHBondContact N-O 2.99Å; I84-A166 HydrophobicContact CD1-CB 3.41Å; I84-A166 VanDerWaalsContact CD1-CB 3.41Å; I84-A166 HydrophobicContact CG1-CB 4.15Å
85Q92.4Very high89.1Confident56 Ų5644 Ų4426%0.26223%0.228SC..PPolyproline II helixtrans-68.4124.1178.2-173.665.461.600111.1L78 S79 I83 L100 E101L78-Q85 PolarHBondContact O-NE2 3.13Å; L78-Q85 PolarHBondContact O-OE1 3.46Å; S79-Q85 PolarHBondContact OG-OE1 2.82Å; I83-Q85 PolarHBondContact O-N 2.92Å; Q85-L100 CarbonylContact O-C 3.34Å; Q85-L100 WeakPolarHBondContact O-CA 3.34Å; Q85-E101 HydrophobicContact CB-CB 4.3Å; Q85-E101 HydrophobicContact CB-CG 4.1Å; Q85-E101 PolarHBondContact N-OE1 3.34Å; Q85-E101 PolarHBondContact O-N 3.41Å
86L91.9Very high89.5Confident7 Ų743.8 Ų43.84%0.03723%0.226CC..EExtended strand (participates in β ladder)trans-81.4124.1163.4-178.665.9000108.9L75 L76 I84 I89 L98 L100L75-L86 HydrophobicContact CB-CD2 3.73Å; L76-L86 HydrophobicContact CD2-CD2 3.88Å; L76-L86 HydrophobicContact CD2-CG 3.97Å; L76-L86 HydrophobicContact CG-CD2 3.96Å; I84-L86 PolarHBondContact O-N 3.14Å; L86-I89 HydrophobicContact CD1-CG1 4.37Å; L86-I89 HydrophobicContact CD2-CD1 4Å; L86-I89 HydrophobicContact CD2-CG1 3.91Å; L86-I89 HydrophobicContact CG-CG1 4.46Å; L86-L98 HydrophobicContact CD1-CB 3.78Å; L86-L98 HydrophobicContact CD1-CD2 4.22Å; L86-L100 HydrophobicContact CB-CD2 4.19Å; L86-L100 HydrophobicContact CD1-CD2 3.65Å
87K92.4Very high89.9Confident70 Ų7041.7 Ų41.730%0.30422%0.217SC..EExtended strand (participates in β ladder)trans-87.1-54.5177.1179-177.8173.4-167.70110.9Y28 E47 F54 V99Y28-K87 WeakPolarHBondContact OH-CE 3.46Å; Y28-K87 PolarHBondContact OH-NZ 2.94Å; E47-K87 IonicContact OE1-NZ 2.69Å; E47-K87 PolarHBondContact OE1-NZ 2.83Å; E47-K87 IonicContact OE2-NZ 3.39Å; E47-K87 PolarHBondContact OE2-NZ 3.26Å; F54-K87 HydrophobicContact CD1-CD 4.22Å; F54-K87 HydrophobicContact CE1-CD 3.59Å; F54-K87 HydrophobicContact CE2-CD 4.24Å; F54-K87 HydrophobicContact CZ-CD 3.59Å; K87-V99 HydrophobicContact CB-CG1 4.34Å; K87-V99 WeakPolarHBondContact CB-O 3.41Å; K87-V99 HydrophobicContact CD-CG1 4.32Å; K87-V99 PolarHBondContact N-O 3.19Å
88E91.6Very high90.2Very high17 Ų1732.1 Ų32.18%0.07918%0.181CC..EExtended strand (participates in β ladder)trans-159.8165-175.861.1-172.8108.200111.8R19 Y28 F90 V99R19-E88 WeakPolarHBondContact CD-OE2 3.44Å; R19-E88 IonicContact CZ-OE2 3.93Å; R19-E88 IonicContact NE-OE2 2.79Å; R19-E88 PolarHBondContact NE-OE2 3.27Å; R19-E88 IonicContact NH2-OE2 3.77Å; R19-E88 PolarHBondContact NH2-OE2 2.72Å; Y28-E88 PolarHBondContact OH-OE1 3.25Å; E88-F90 HydrophobicContact CG-CE2 3.83Å; E88-F90 WeakPolarHBondContact OE2-CE2 3.4Å; E88-F90 VanDerWaalsContact OE2-CZ 3.3Å; E88-F90 WeakPolarHBondContact OE2-CZ 3.49Å; E88-V99 HydrophobicContact CG-CB 3.82Å; E88-V99 HydrophobicContact CG-CG1 4.49Å; E88-V99 HydrophobicContact CG-CG2 3.86Å; E88-V99 PolarHBondContact N-O 2.85Å; E88-V99 PolarHBondContact O-N 3.03Å
89I90.9Very high90.5Very high0 Ų031.9 Ų31.90%018%0.179CC..EExtended strand (participates in β ladder)trans-124.4132.5-177-56.6165.9000108V15 S18 R19 I72 L76 L86 I96 A97 L98V15-I89 HydrophobicContact CG1-CD1 3.9Å; S18-I89 CarbonylContact C-O 3.52Å; S18-I89 WeakPolarHBondContact CA-O 3.49Å; R19-I89 PolarHBondContact N-O 3.47Å; I72-I89 HydrophobicContact CG2-CD1 3.39Å; I72-I89 HydrophobicContact CG2-CG1 4.38Å; L76-I89 HydrophobicContact CD1-CD1 3.73Å; L76-I89 HydrophobicContact CD1-CG1 4.43Å; L76-I89 HydrophobicContact CD2-CD1 4.17Å; L76-I89 HydrophobicContact CD2-CG1 4.15Å; L76-I89 HydrophobicContact CG-CD1 3.76Å; L76-I89 HydrophobicContact CG-CG1 4.3Å; L86-I89 HydrophobicContact CD1-CG1 4.37Å; L86-I89 HydrophobicContact CD2-CD1 4Å; L86-I89 HydrophobicContact CD2-CG1 3.91Å; L86-I89 HydrophobicContact CG-CG1 4.46Å; I89-I96 HydrophobicContact CG2-CG2 4Å; I89-A97 CarbonylContact C-O 3.5Å; I89-A97 WeakPolarHBondContact CA-O 3.43Å; I89-L98 HydrophobicContact CB-CD2 4.45Å; I89-L98 HydrophobicContact CD1-CD2 4.47Å; I89-L98 HydrophobicContact CG1-CD2 3.85Å; I89-L98 HydrophobicContact CG2-CD2 4.07Å
90F91.5Very high90.6Very high5 Ų529.4 Ų29.42%0.02216%0.16CC..EExtended strand (participates in β ladder)trans-108.8142.7165.2-66.5-96.6000108.5R19 V24 F27 Y28 E88 A97 V99R19-F90 HydrophobicContact CB-CD1 3.91Å; R19-F90 HydrophobicContact CB-CE1 3.97Å; R19-F90 HydrophobicContact CG-CE1 4.45Å; V24-F90 HydrophobicContact CB-CD2 4.5Å; V24-F90 HydrophobicContact CG2-CB 3.66Å; V24-F90 HydrophobicContact CG2-CD1 4.41Å; V24-F90 HydrophobicContact CG2-CD2 3.63Å; V24-F90 HydrophobicContact CG2-CE2 4.4Å; V24-F90 HydrophobicContact CG2-CG 3.64Å; F27-F90 HydrophobicContact CB-CZ 4.15Å; F27-F90 AromaticContact CD2-CE1 3.42Å; F27-F90 HydrophobicContact CD2-CE1 3.42Å; F27-F90 VanDerWaalsContact CD2-CE1 3.42Å; F27-F90 AromaticContact CD2-CZ 3.75Å; F27-F90 HydrophobicContact CD2-CZ 3.75Å; F27-F90 AromaticContact CE2-CE1 3.79Å; F27-F90 HydrophobicContact CE2-CE1 3.79Å; F27-F90 HydrophobicContact CE2-CZ 4.44Å; F27-F90 HydrophobicContact CG-CE1 4.21Å; F27-F90 HydrophobicContact CG-CZ 4.08Å; Y28-F90 HydrophobicContact CD2-CE2 4.17Å; Y28-F90 HydrophobicContact CD2-CZ 4.28Å; Y28-F90 AromaticContact CE2-CE2 3.73Å; Y28-F90 HydrophobicContact CE2-CE2 3.73Å; Y28-F90 AromaticContact CE2-CZ 3.91Å; Y28-F90 HydrophobicContact CE2-CZ 3.91Å; E88-F90 HydrophobicContact CG-CE2 3.83Å; E88-F90 WeakPolarHBondContact OE2-CE2 3.4Å; E88-F90 VanDerWaalsContact OE2-CZ 3.3Å; E88-F90 WeakPolarHBondContact OE2-CZ 3.49Å; F90-A97 HydrophobicContact CB-CB 4.23Å; F90-A97 PolarHBondContact N-O 3.38Å; F90-A97 PolarHBondContact O-N 2.55Å; F90-V99 HydrophobicContact CD2-CG2 3.97Å; F90-V99 HydrophobicContact CE2-CG2 3.79Å
91E87.2Confident90.5Very high10 Ų1030.1 Ų30.15%0.04716%0.163CC..EExtended strand (participates in β ladder)trans-140132.3-177.6-167.2176.2-17700110.2W14 V15 S18 R19 K61 I96W14-E91 HydrophobicContact CE3-CB 3.91Å; W14-E91 VanDerWaalsContact CE3-CD 3.45Å; W14-E91 HydrophobicContact CE3-CG 3.52Å; W14-E91 HydrophobicContact CZ3-CB 4.06Å; W14-E91 HydrophobicContact CZ3-CG 3.72Å; W14-E91 WeakPolarHBondContact CZ3-O 3.47Å; V15-E91 WeakPolarHBondContact CB-OE2 3.4Å; V15-E91 PolarHBondContact N-OE1 3.17Å; V15-E91 PolarHBondContact N-OE2 2.79Å; S18-E91 WeakPolarHBondContact CB-OE2 3.36Å; S18-E91 PolarHBondContact OG-OE2 3.45Å; R19-E91 PolarHBondContact O-N 2.94Å; K61-E91 VanDerWaalsContact CE-OE1 3.31Å; K61-E91 WeakPolarHBondContact CE-OE1 3.49Å; K61-E91 IonicContact NZ-OE1 3.84Å; K61-E91 PolarHBondContact NZ-OE1 3.49Å; E91-I96 HydrophobicContact CG-CG1 4.18Å
92T85.3Confident90.5Very high50 Ų5028 Ų2831%0.30715%0.147SC..  trans-118.7178.5170.371.50000109.2K61 T94 D95K61-T92 VanDerWaalsContact CE-O 3.26Å; K61-T92 WeakPolarHBondContact CE-O 3.47Å; K61-T92 PolarHBondContact NZ-O 3.37Å; T92-T94 PolarHBondContact O-N 3.47Å; T92-T94 PolarHBondContact OG1-N 2.86Å; T92-T94 PolarHBondContact OG1-OG1 2.97Å; T92-D95 PolarHBondContact N-O 3.19Å; T92-D95 PolarHBondContact OG1-N 3.39Å
93D80.1Confident90.4Very high109 Ų10928.9 Ų28.958%0.58315%0.153SC*.SBendtrans-60.5-26.6175.6-69-35.9000113.5W14 K61W14-D93 WeakPolarHBondContact CH2-OD1 3.39Å; K61-D93 WeakPolarHBondContact CD-O 3.5Å
94T80Confident90.4Very high82 Ų8233 Ų3350%0.50318%0.178SC..SBendtrans-112.1-20.1-172.255.80000114K61 T92K61-T94 WeakPolarHBondContact CB-O 3.38Å; K61-T94 PolarHBondContact N-O 3.38Å; T92-T94 PolarHBondContact O-N 3.47Å; T92-T94 PolarHBondContact OG1-N 2.86Å; T92-T94 PolarHBondContact OG1-OG1 2.97Å
95D84.3Confident90.4Very high26 Ų2632.4 Ų32.414%0.13918%0.176CC..EExtended strand (participates in β ladder)trans-139.6149.7-168.1-64.2-80.5000112.2V58 L59 K60 T92V58-D95 HydrophobicContact CG1-CB 4.3Å; L59-D95 WeakPolarHBondContact O-CA 3.45Å; K60-D95 WeakPolarHBondContact CD-OD1 3.37Å; K60-D95 WeakPolarHBondContact CE-OD1 3.5Å; K60-D95 VanDerWaalsContact NZ-CG 3.28Å; K60-D95 IonicContact NZ-OD1 3.84Å; K60-D95 PolarHBondContact NZ-OD1 3.5Å; K60-D95 IonicContact NZ-OD2 3.4Å; K60-D95 PolarHBondContact NZ-OD2 2.87Å; T92-D95 PolarHBondContact N-O 3.19Å; T92-D95 PolarHBondContact OG1-N 3.39Å
96I86.6Confident90.4Very high2 Ų231.5 Ų31.51%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-118.9126.1167-59.1173.5000106.5V15 V58 L59 K61 V68 I72 I89 E91 L98 I174V15-I96 HydrophobicContact CG2-CD1 4.36Å; V58-I96 CarbonylContact C-O 3.59Å; V58-I96 WeakPolarHBondContact CA-O 3.31Å; L59-I96 WeakPolarHBondContact CD1-O 3.13Å; L59-I96 PolarHBondContact N-O 2.8Å; L59-I96 PolarHBondContact O-N 3.49Å; K61-I96 HydrophobicContact CD-CG1 4.36Å; K61-I96 VanDerWaalsContact CE-CG1 3.44Å; K61-I96 HydrophobicContact CG-CD1 4.3Å; K61-I96 HydrophobicContact CG-CG1 4.05Å; V68-I96 HydrophobicContact CG1-CD1 3.5Å; V68-I96 VanDerWaalsContact CG1-CD1 3.5Å; I72-I96 HydrophobicContact CD1-CD1 4.22Å; I72-I96 HydrophobicContact CD1-CG2 4.47Å; I89-I96 HydrophobicContact CG2-CG2 4Å; E91-I96 HydrophobicContact CG-CG1 4.18Å; I96-L98 HydrophobicContact CG2-CD2 3.82Å; I96-L98 HydrophobicContact CG2-CG 4.38Å; I96-I174 HydrophobicContact CD1-CD1 4.49Å
97A90.6Very high90.4Very high7 Ų733.2 Ų33.26%0.05819%0.189CC..EExtended strand (participates in β ladder)trans-117.2124.1175.700000110.6V24 V56 K57 V58 I89 F90V24-A97 HydrophobicContact CG2-CB 3.36Å; V56-A97 HydrophobicContact CG2-CB 3.9Å; K57-A97 CarbonylContact O-C 3.55Å; K57-A97 WeakPolarHBondContact O-CA 3.42Å; V58-A97 HydrophobicContact CG2-CB 4.21Å; I89-A97 CarbonylContact C-O 3.5Å; I89-A97 WeakPolarHBondContact CA-O 3.43Å; F90-A97 HydrophobicContact CB-CB 4.23Å; F90-A97 PolarHBondContact N-O 3.38Å; F90-A97 PolarHBondContact O-N 2.55Å
98L91.3Very high90.4Very high5 Ų529.9 Ų29.93%0.02617%0.174CC..EExtended strand (participates in β ladder)trans-105.8115.3-177.1-54.3177.6000108.4V56 K57 L59 I72 L86 I89 I96 L100 L170V56-L98 CarbonylContact C-O 3.59Å; V56-L98 VanDerWaalsContact CA-O 3.31Å; V56-L98 WeakPolarHBondContact CA-O 3.45Å; K57-L98 HydrophobicContact CB-CB 4.44Å; K57-L98 PolarHBondContact N-O 2.68Å; K57-L98 PolarHBondContact O-N 3.48Å; L59-L98 HydrophobicContact CD1-CD1 3.7Å; L59-L98 HydrophobicContact CD1-CG 3.85Å; I72-L98 HydrophobicContact CG2-CD2 4.29Å; L86-L98 HydrophobicContact CD1-CB 3.78Å; L86-L98 HydrophobicContact CD1-CD2 4.22Å; I89-L98 HydrophobicContact CB-CD2 4.45Å; I89-L98 HydrophobicContact CD1-CD2 4.47Å; I89-L98 HydrophobicContact CG1-CD2 3.85Å; I89-L98 HydrophobicContact CG2-CD2 4.07Å; I96-L98 HydrophobicContact CG2-CD2 3.82Å; I96-L98 HydrophobicContact CG2-CG 4.38Å; L98-L100 HydrophobicContact CB-CD2 4.39Å; L98-L100 HydrophobicContact CB-CG 4.37Å; L98-L170 HydrophobicContact CD1-CD1 3.32Å
99V94.4Very high90.3Very high0 Ų029 Ų290%017%0.17CC..EExtended strand (participates in β ladder)trans-87.1113.7173.7-175.70000108.6Y28 F54 V56 K87 E88 F90Y28-V99 HydrophobicContact CD2-CG2 4.43Å; Y28-V99 HydrophobicContact CE1-CG1 3.82Å; Y28-V99 HydrophobicContact CE2-CG1 4.49Å; Y28-V99 HydrophobicContact CE2-CG2 3.98Å; F54-V99 HydrophobicContact CB-CG1 3.91Å; F54-V99 HydrophobicContact CD1-CG1 4.23Å; F54-V99 HydrophobicContact CG-CG1 4.02Å; V56-V99 HydrophobicContact CG2-CG2 4.44Å; K87-V99 HydrophobicContact CB-CG1 4.34Å; K87-V99 WeakPolarHBondContact CB-O 3.41Å; K87-V99 HydrophobicContact CD-CG1 4.32Å; K87-V99 PolarHBondContact N-O 3.19Å; E88-V99 HydrophobicContact CG-CB 3.82Å; E88-V99 HydrophobicContact CG-CG1 4.49Å; E88-V99 HydrophobicContact CG-CG2 3.86Å; E88-V99 PolarHBondContact N-O 2.85Å; E88-V99 PolarHBondContact O-N 3.03Å; F90-V99 HydrophobicContact CD2-CG2 3.97Å; F90-V99 HydrophobicContact CE2-CG2 3.79Å
100L94.6Very high90.3Very high27 Ų2730.6 Ų30.614%0.14118%0.178CC..EExtended strand (participates in β ladder)trans-113154.6-172.8-58.1168.6000110F54 A55 K57 I84 Q85 L86 L98 L102F54-L100 WeakPolarHBondContact CB-O 3.26Å; F54-L100 WeakPolarHBondContact CD1-O 3.17Å; A55-L100 PolarHBondContact N-O 3.14Å; A55-L100 PolarHBondContact O-N 3.2Å; K57-L100 HydrophobicContact CB-CD1 4.09Å; I84-L100 HydrophobicContact CG2-CB 3.89Å; I84-L100 HydrophobicContact CG2-CD2 4.12Å; I84-L100 HydrophobicContact CG2-CG 4.4Å; Q85-L100 CarbonylContact O-C 3.34Å; Q85-L100 WeakPolarHBondContact O-CA 3.34Å; L86-L100 HydrophobicContact CB-CD2 4.19Å; L86-L100 HydrophobicContact CD1-CD2 3.65Å; L98-L100 HydrophobicContact CB-CD2 4.39Å; L98-L100 HydrophobicContact CB-CG 4.37Å; L100-L102 PolarHBondContact O-N 3.36Å
101E94.8Very high90.2Very high50 Ų5030.9 Ų30.923%0.23418%0.179CC..EExtended strand (participates in β ladder)trans-56.2139165.668.9175.8144.300110.7I84 Q85 V103 K164I84-E101 VanDerWaalsContact CA-OE1 3.25Å; I84-E101 WeakPolarHBondContact CA-OE1 3.47Å; I84-E101 HydrophobicContact CB-CG 4.44Å; I84-E101 HydrophobicContact CG2-CG 3.87Å; Q85-E101 HydrophobicContact CB-CB 4.3Å; Q85-E101 HydrophobicContact CB-CG 4.1Å; Q85-E101 PolarHBondContact N-OE1 3.34Å; Q85-E101 PolarHBondContact O-N 3.41Å; E101-V103 HydrophobicContact CG-CG1 4.49Å; E101-K164 VanDerWaalsContact CD-NZ 3.29Å; E101-K164 WeakPolarHBondContact OE1-CE 3.44Å; E101-K164 IonicContact OE1-NZ 2.86Å; E101-K164 PolarHBondContact OE1-NZ 2.76Å; E101-K164 VanDerWaalsContact OE2-CE 3.31Å; E101-K164 WeakPolarHBondContact OE2-CE 3.48Å; E101-K164 IonicContact OE2-NZ 3.96Å; E101-K164 PolarHBondContact OE2-NZ 3.35Å; E101-K164 VanDerWaalsContact OE2-NZ 3.13Å
102L95.4Very high90.2Very high40 Ų4030.7 Ų30.721%0.20918%0.179CC..  trans-82.2127.6175.5-177.565.1000109.5L34 R44 P53 A55 L100 T104L34-L102 HydrophobicContact CD1-CD1 3.74Å; R44-L102 HydrophobicContact CG-CD2 4.33Å; P53-L102 HydrophobicContact CB-CD2 3.89Å; A55-L102 HydrophobicContact CB-CD1 4.09Å; L100-L102 PolarHBondContact O-N 3.36Å; L102-T104 HydrophobicContact CD2-CG2 4.24Å; L102-T104 HydrophobicContact CG-CG2 4.13Å
103V95Very high90.2Very high28 Ų2829.9 Ų29.917%0.1717%0.174CC..  trans-112.6139.3171.1-600000109.8I84 E101 L153 A155 K164I84-V103 HydrophobicContact CD1-CG1 4.19Å; I84-V103 HydrophobicContact CD1-CG2 4.01Å; I84-V103 HydrophobicContact CG1-CG1 4.36Å; E101-V103 HydrophobicContact CG-CG1 4.49Å; V103-L153 HydrophobicContact CG2-CB 3.85Å; V103-L153 HydrophobicContact CG2-CD1 3.6Å; V103-L153 HydrophobicContact CG2-CG 4.38Å; V103-A155 CarbonylContact C-O 3.6Å; V103-A155 WeakPolarHBondContact CA-O 3.45Å; V103-K164 HydrophobicContact CG1-CD 3.54Å
104T94.8Very high90.5Very high89 Ų8931.3 Ų31.355%0.54618%0.177SC..  trans-1282.6-173590000113.4L102 G106 A155L102-T104 HydrophobicContact CD2-CG2 4.24Å; L102-T104 HydrophobicContact CG-CG2 4.13Å; T104-G106 VanDerWaalsContact C-N 3.27Å; T104-G106 PolarHBondContact O-N 3.09Å; T104-A155 PolarHBondContact N-O 2.92Å
105G93.3Very high90.4Very high1 Ų132.1 Ų32.11%0.0117%0.171CC..SBendtrans-79.5-3.7-175.100000115.6R111 Y154 D156G105-R111 WeakPolarHBondContact O-CD 3.39Å; G105-R111 WeakPolarHBondContact O-CG 3.24Å; G105-R111 PolarHBondContact O-NH1 3.22Å; G105-R111 VanDerWaalsContact O-NH1 3.12Å; G105-Y154 WeakPolarHBondContact CA-O 3.5Å; G105-Y154 PolarHBondContact N-O 3.32Å; G105-D156 WeakPolarHBondContact CA-O 3.29Å
106G92.1Very high90.1Very high36 Ų3633.4 Ų33.437%0.37119%0.19SC..  trans79.5-177.8-178.700000113.8T104 L153 Y154T104-G106 VanDerWaalsContact C-N 3.27Å; T104-G106 PolarHBondContact O-N 3.09Å; G106-L153 CarbonylContact O-C 3.6Å; G106-L153 WeakPolarHBondContact O-CA 3.36Å; G106-Y154 PolarHBondContact O-N 2.81Å
107E92.8Very high90Very high43 Ų4338.6 Ų38.620%0.20121%0.21CC..BIsolated β-bridgetrans-78.4150.3-179.9-57.8-179.1-133.500111.5F109 D110 R111 L153 R306E107-F109 VanDerWaalsContact C-N 3.29Å; E107-F109 PolarHBondContact O-N 2.91Å; E107-D110 PolarHBondContact O-N 3.15Å; E107-D110 VanDerWaalsContact O-N 3.16Å; E107-R111 PolarHBondContact O-N 2.83Å; E107-L153 HydrophobicContact CB-CD2 4.34Å; E107-L153 HydrophobicContact CG-CD2 3.75Å; E107-R306 IonicContact OE1-NH2 3.46Å; E107-R306 IonicContact OE2-CZ 3.9Å; E107-R306 IonicContact OE2-NH1 2.78Å; E107-R306 PolarHBondContact OE2-NH1 3.22Å; E107-R306 IonicContact OE2-NH2 3.03Å; E107-R306 PolarHBondContact OE2-NH2 3.11Å
108L92.9Very high90.1Very high0 Ų038.5 Ų38.50%021%0.208CC..Hα-helixtrans-48.2-48.9-179.8171.160.3000113.2R111 I112 V126 L152 Y154 L163 L216L108-R111 PolarHBondContact O-N 3.36Å; L108-I112 HydrophobicContact CD1-CD1 3.88Å; L108-I112 HydrophobicContact CD1-CG1 4.37Å; L108-I112 HydrophobicContact CG-CD1 4.12Å; L108-I112 WeakPolarHBondContact O-CG1 3.49Å; L108-I112 PolarHBondContact O-N 2.89Å; L108-I112 VanDerWaalsContact O-N 3.15Å; L108-V126 HydrophobicContact CD1-CB 4.45Å; L108-V126 HydrophobicContact CD1-CG1 3.71Å; L108-V126 HydrophobicContact CD1-CG2 3.8Å; L108-V126 HydrophobicContact CD2-CG1 3.61Å; L108-V126 HydrophobicContact CG-CG1 4.31Å; L108-L152 HydrophobicContact CB-CB 3.95Å; L108-L152 HydrophobicContact CD2-CB 4.2Å; L108-L152 HydrophobicContact CD2-CD1 3.72Å; L108-L152 PolarHBondContact N-O 2.89Å; L108-Y154 HydrophobicContact CD1-CE2 3.81Å; L108-L163 HydrophobicContact CB-CD1 4.13Å; L108-L163 HydrophobicContact CD1-CD1 4.14Å; L108-L216 HydrophobicContact CD2-CD2 4.23Å
109F89.5Confident90.2Very high0 Ų038.4 Ų38.40%021%0.208CC..Hα-helixtrans-71.6-32.5-174.7-70.7-85.3000113E107 R111 I112 V113 P149 I215 L216 L299 F302 N303E107-F109 VanDerWaalsContact C-N 3.29Å; E107-F109 PolarHBondContact O-N 2.91Å; F109-R111 VanDerWaalsContact C-N 3.33Å; F109-I112 PolarHBondContact O-N 2.88Å; F109-V113 VanDerWaalsContact O-CG2 3.3Å; F109-V113 WeakPolarHBondContact O-CG2 3.47Å; F109-V113 PolarHBondContact O-N 3.23Å; F109-P149 HydrophobicContact CD2-CB 3.57Å; F109-P149 HydrophobicContact CD2-CG 4.15Å; F109-P149 HydrophobicContact CE2-CB 3.37Å; F109-P149 HydrophobicContact CE2-CG 3.48Å; F109-P149 VanDerWaalsContact CE2-CG 3.48Å; F109-P149 HydrophobicContact CZ-CB 4.42Å; F109-P149 HydrophobicContact CZ-CG 4.11Å; F109-I215 HydrophobicContact CE1-CB 4.42Å; F109-I215 HydrophobicContact CE1-CG2 3.61Å; F109-I215 HydrophobicContact CZ-CB 4.44Å; F109-I215 HydrophobicContact CZ-CG2 3.98Å; F109-L216 HydrophobicContact CE1-CD2 3.91Å; F109-L216 HydrophobicContact CE1-CG 4.45Å; F109-L216 HydrophobicContact CZ-CD2 4.13Å; F109-L216 HydrophobicContact CZ-CG 4.4Å; F109-L299 HydrophobicContact CD1-CD2 3.53Å; F109-L299 HydrophobicContact CE1-CD2 3.51Å; F109-F302 HydrophobicContact CD1-CD1 4.21Å; F109-F302 HydrophobicContact CD1-CE1 4.08Å; F109-F302 HydrophobicContact CE1-CD1 4.47Å; F109-F302 HydrophobicContact CE1-CE1 4.13Å; F109-F302 HydrophobicContact CG-CE1 4.27Å; F109-F302 HydrophobicContact CZ-CE1 4.35Å; F109-N303 HydrophobicContact CB-CB 4.48Å
110D89.1Confident90.2Very high32 Ų3238.5 Ų38.517%0.17121%0.209CC..Hα-helixtrans-61.8-47173.4-70.6-43.8000110E107 I112 V113 E114 N303 K307E107-D110 PolarHBondContact O-N 3.15Å; E107-D110 VanDerWaalsContact O-N 3.16Å; D110-I112 VanDerWaalsContact C-N 3.32Å; D110-I112 PolarHBondContact O-N 2.96Å; D110-V113 PolarHBondContact O-N 2.93Å; D110-V113 VanDerWaalsContact O-N 3.11Å; D110-E114 WeakPolarHBondContact O-CG 3.22Å; D110-E114 PolarHBondContact O-N 3.48Å; D110-N303 PolarHBondContact N-ND2 3.11Å; D110-N303 PolarHBondContact OD1-ND2 3.42Å; D110-K307 IonicContact OD1-NZ 3.57Å; D110-K307 PolarHBondContact OD1-NZ 3.41Å; D110-K307 IonicContact OD2-NZ 2.7Å; D110-K307 PolarHBondContact OD2-NZ 3.2Å
111R89.8Confident90.2Very high11 Ų1143.9 Ų43.94%0.04223%0.227CC..Hα-helixtrans-64.8-33.1-178.2-75.9-76.3-66.9-103.50.1113.7G105 E107 L108 F109 R115 Y154 D156 S158G105-R111 WeakPolarHBondContact O-CD 3.39Å; G105-R111 WeakPolarHBondContact O-CG 3.24Å; G105-R111 PolarHBondContact O-NH1 3.22Å; G105-R111 VanDerWaalsContact O-NH1 3.12Å; E107-R111 PolarHBondContact O-N 2.83Å; L108-R111 PolarHBondContact O-N 3.36Å; F109-R111 VanDerWaalsContact C-N 3.33Å; R111-R115 VanDerWaalsContact O-CG 3.28Å; R111-R115 WeakPolarHBondContact O-CG 3.37Å; R111-R115 PolarHBondContact O-N 3.31Å; R111-Y154 HydrophobicContact CB-CD2 3.78Å; R111-Y154 HydrophobicContact CB-CE2 3.58Å; R111-Y154 HydrophobicContact CG-CD2 3.57Å; R111-Y154 HydrophobicContact CG-CE2 3.95Å; R111-Y154 HydrophobicContact CG-CG 4.41Å; R111-D156 PolarHBondContact NH1-O 3.2Å; R111-S158 PolarHBondContact NH2-O 3.3Å
112I87.6Confident90.1Very high6 Ų643.9 Ų43.93%0.03123%0.229CC..Hα-helixtrans-68.7-42.4173.8-68.6166.4000110.8L108 F109 D110 E114 R115 Y118 L216 Q296 L299L108-I112 HydrophobicContact CD1-CD1 3.88Å; L108-I112 HydrophobicContact CD1-CG1 4.37Å; L108-I112 HydrophobicContact CG-CD1 4.12Å; L108-I112 WeakPolarHBondContact O-CG1 3.49Å; L108-I112 PolarHBondContact O-N 2.89Å; L108-I112 VanDerWaalsContact O-N 3.15Å; F109-I112 PolarHBondContact O-N 2.88Å; D110-I112 VanDerWaalsContact C-N 3.32Å; D110-I112 PolarHBondContact O-N 2.96Å; I112-E114 VanDerWaalsContact C-N 3.3Å; I112-E114 PolarHBondContact O-N 2.85Å; I112-R115 PolarHBondContact O-N 3.17Å; I112-Y118 HydrophobicContact CB-CD2 4.41Å; I112-Y118 HydrophobicContact CB-CE2 4.49Å; I112-Y118 HydrophobicContact CD1-CE2 3.8Å; I112-Y118 HydrophobicContact CG1-CD2 4.18Å; I112-Y118 HydrophobicContact CG1-CE2 3.93Å; I112-Y118 HydrophobicContact CG2-CD1 4.01Å; I112-Y118 HydrophobicContact CG2-CD2 3.46Å; I112-Y118 VanDerWaalsContact CG2-CD2 3.46Å; I112-Y118 HydrophobicContact CG2-CE1 4.25Å; I112-Y118 HydrophobicContact CG2-CE2 3.73Å; I112-Y118 HydrophobicContact CG2-CG 3.59Å; I112-L216 HydrophobicContact CD1-CD2 3.4Å; I112-Q296 PolarHBondContact O-NE2 2.61Å; I112-L299 HydrophobicContact CG2-CD1 3.66Å
113V86.2Confident90.1Very high34 Ų3442 Ų4221%0.20622%0.219CC..Hα-helixtrans-65-36.2179.8171.70000111.3F109 D110 Q296 L299 Q300F109-V113 VanDerWaalsContact O-CG2 3.3Å; F109-V113 WeakPolarHBondContact O-CG2 3.47Å; F109-V113 PolarHBondContact O-N 3.23Å; D110-V113 PolarHBondContact O-N 2.93Å; D110-V113 VanDerWaalsContact O-N 3.11Å; V113-Q296 PolarHBondContact O-NE2 3.39Å; V113-L299 HydrophobicContact CG2-CB 4.25Å; V113-Q300 HydrophobicContact CG1-CB 3.89Å; V113-Q300 HydrophobicContact CG1-CG 3.82Å; V113-Q300 HydrophobicContact CG2-CB 3.91Å
114E86Confident90.2Very high138 Ų13840.8 Ų40.865%0.64521%0.212SC*.Hα-helixtrans-73.3-26.1-179.3-71.5169.5-179.200114.5D110 I112 G116D110-E114 WeakPolarHBondContact O-CG 3.22Å; D110-E114 PolarHBondContact O-N 3.48Å; I112-E114 VanDerWaalsContact C-N 3.3Å; I112-E114 PolarHBondContact O-N 2.85Å; E114-G116 VanDerWaalsContact C-N 3.27Å; E114-G116 PolarHBondContact O-N 2.81Å
115R78.2Confident90.2Very high100 Ų10042 Ų4238%0.37721%0.211SC..THydrogen-bonded Turntrans-72.7-10.3-169.6-85.8176.6176.4-158.5-3.4115.5R111 I112 Y117 L159R111-R115 VanDerWaalsContact O-CG 3.28Å; R111-R115 WeakPolarHBondContact O-CG 3.37Å; R111-R115 PolarHBondContact O-N 3.31Å; I112-R115 PolarHBondContact O-N 3.17Å; R115-Y117 PolarHBondContact O-N 2.91Å; R115-L159 PolarHBondContact NH2-O 2.99Å
116G76.3Confident90.3Very high53 Ų5342.1 Ų42.155%0.54621%0.212SC..SBendtrans64.7-22.718000000115.7E114 H291 Q296E114-G116 VanDerWaalsContact C-N 3.27Å; E114-G116 PolarHBondContact O-N 2.81Å; G116-H291 PolarHBondContact O-CE1 3.4Å; G116-H291 PolarHBondContact O-NE2 3.21Å; G116-Q296 PolarHBondContact O-OE1 3.29Å
117Y86.1Confident90.6Very high110 Ų11040.4 Ų40.443%0.43119%0.194SC..  trans-128.8135171.8179.9-84.6000109.9R115 F289 H291R115-Y117 PolarHBondContact O-N 2.91Å; Y117-F289 PolarHBondContact OH-O 3.2Å; Y117-H291 VanDerWaalsContact CA-CE1 3.43Å; Y117-H291 WeakPolarHBondContact CA-CE1 3.12Å; Y117-H291 HydrophobicContact CD2-CB 3.79Å; Y117-H291 AromaticContact CD2-CG 3.64Å; Y117-H291 AromaticContact CD2-ND1 3.6Å; Y117-H291 HydrophobicContact CE2-CB 3.55Å; Y117-H291 AromaticContact CE2-CG 3.93Å; Y117-H291 AromaticContact CG-ND1 3.94Å
118Y91.1Very high90.9Very high5 Ų542.1 Ų42.12%0.0220%0.201CC..  trans-150.4140.1179.1-179.7-113.4000110.4I112 D122 A123 L216 H291 M292 T295 L299I112-Y118 HydrophobicContact CB-CD2 4.41Å; I112-Y118 HydrophobicContact CB-CE2 4.49Å; I112-Y118 HydrophobicContact CD1-CE2 3.8Å; I112-Y118 HydrophobicContact CG1-CD2 4.18Å; I112-Y118 HydrophobicContact CG1-CE2 3.93Å; I112-Y118 HydrophobicContact CG2-CD1 4.01Å; I112-Y118 HydrophobicContact CG2-CD2 3.46Å; I112-Y118 VanDerWaalsContact CG2-CD2 3.46Å; I112-Y118 HydrophobicContact CG2-CE1 4.25Å; I112-Y118 HydrophobicContact CG2-CE2 3.73Å; I112-Y118 HydrophobicContact CG2-CG 3.59Å; Y118-D122 HydrophobicContact CD2-CB 3.87Å; Y118-D122 HydrophobicContact CE2-CB 3.95Å; Y118-A123 VanDerWaalsContact OH-CB 3.32Å; Y118-A123 WeakPolarHBondContact OH-CB 3.49Å; Y118-L216 VanDerWaalsContact CE1-O 3.22Å; Y118-L216 WeakPolarHBondContact CE1-O 2.97Å; Y118-L216 WeakPolarHBondContact OH-CB 3.39Å; Y118-L216 WeakPolarHBondContact OH-CD2 3.29Å; Y118-L216 PolarHBondContact OH-O 2.73Å; Y118-H291 PolarHBondContact N-CE1 2.64Å; Y118-H291 PolarHBondContact N-ND1 3.09Å; Y118-H291 WeakPolarHBondContact O-CA 3.43Å; Y118-H291 PolarHBondContact O-ND1 3.5Å; Y118-M292 HydrophobicContact CD1-CB 4.42Å; Y118-M292 HydrophobicContact CE1-SD 4.43Å; Y118-M292 PolarHBondContact O-N 2.88Å; Y118-T295 HydrophobicContact CD1-CG2 4.44Å; Y118-T295 HydrophobicContact CE1-CG2 4.08Å; Y118-L299 HydrophobicContact CD1-CD1 4.23Å; Y118-L299 HydrophobicContact CE1-CD1 3.85Å
119S93.9Very high91.1Very high3 Ų343 Ų432%0.02121%0.205CC..  trans-143168.2-175.668.40000112.3R121 D122 A123 S290S119-R121 PolarHBondContact O-N 2.79Å; S119-R121 PolarHBondContact OG-N 2.75Å; S119-D122 WeakPolarHBondContact CB-OD2 3.28Å; S119-D122 PolarHBondContact N-OD2 2.81Å; S119-D122 WeakPolarHBondContact O-CB 3.27Å; S119-D122 PolarHBondContact O-N 2.82Å; S119-D122 VanDerWaalsContact O-N 3.09Å; S119-D122 PolarHBondContact OG-N 3.5Å; S119-D122 PolarHBondContact OG-OD2 3.33Å; S119-A123 PolarHBondContact O-N 3.25Å; S119-A123 VanDerWaalsContact O-N 3.11Å; S119-S290 WeakPolarHBondContact CB-O 3.25Å
120E95.3Very high91.5Very high3 Ų343 Ų431%0.01421%0.205CC..Hα-helixtrans-59.6-31.7172.5-78.2-172.1-146.100112.3D122 A123 A124 L217 V251 S252 W281 A287 R288 M292E120-D122 VanDerWaalsContact C-N 3.3Å; E120-D122 PolarHBondContact O-N 3.5Å; E120-A123 WeakPolarHBondContact O-CB 3.45Å; E120-A123 PolarHBondContact O-N 3.07Å; E120-A124 WeakPolarHBondContact O-CB 3.27Å; E120-A124 PolarHBondContact O-N 3.14Å; E120-L217 HydrophobicContact CG-CD2 3.93Å; E120-V251 WeakPolarHBondContact OE1-CA 3.35Å; E120-S252 WeakPolarHBondContact OE1-CB 3.49Å; E120-S252 PolarHBondContact OE1-N 2.9Å; E120-S252 WeakPolarHBondContact OE2-CB 3.32Å; E120-S252 PolarHBondContact OE2-OG 3.28Å; E120-W281 HydrophobicContact CB-CZ2 4.04Å; E120-W281 HydrophobicContact CG-CZ2 4.38Å; E120-W281 WeakPolarHBondContact O-CZ2 3.39Å; E120-W281 PolarHBondContact OE2-NE1 3.45Å; E120-A287 HydrophobicContact CB-CB 4.26Å; E120-R288 HydrophobicContact CB-CB 4.22Å; E120-R288 HydrophobicContact CG-CB 4.32Å; E120-R288 PolarHBondContact N-O 3.47Å; E120-M292 HydrophobicContact CG-CE 4.42Å; E120-M292 HydrophobicContact CG-SD 3.91Å; E120-M292 PolarHBondContact N-SD 3.16Å; E120-M292 VanDerWaalsContact N-SD 3.42Å
121R93.8Very high92Very high139 Ų13941.5 Ų41.553%0.52520%0.197SC..Hα-helixtrans-63.1-39.3175.7-177.2177.5-176.8-156.93.3111.8S119 A124 H125 A287 R288S119-R121 PolarHBondContact O-N 2.79Å; S119-R121 PolarHBondContact OG-N 2.75Å; R121-A124 PolarHBondContact O-N 3.45Å; R121-H125 WeakPolarHBondContact O-CB 3.48Å; R121-H125 PolarHBondContact O-N 3.42Å; R121-A287 HydrophobicContact CB-CB 4.43Å; R121-R288 PolarHBondContact N-O 2.98Å; R121-R288 VanDerWaalsContact N-O 3.13Å
122D93.2Very high92.4Very high51 Ų5144.2 Ų44.227%0.27321%0.21SC..Hα-helixtrans-66.1-44.1175.8-56.3-53.9000110.3Y118 S119 E120 A124 H125 V126Y118-D122 HydrophobicContact CD2-CB 3.87Å; Y118-D122 HydrophobicContact CE2-CB 3.95Å; S119-D122 WeakPolarHBondContact CB-OD2 3.28Å; S119-D122 PolarHBondContact N-OD2 2.81Å; S119-D122 WeakPolarHBondContact O-CB 3.27Å; S119-D122 PolarHBondContact O-N 2.82Å; S119-D122 VanDerWaalsContact O-N 3.09Å; S119-D122 PolarHBondContact OG-N 3.5Å; S119-D122 PolarHBondContact OG-OD2 3.33Å; E120-D122 VanDerWaalsContact C-N 3.3Å; E120-D122 PolarHBondContact O-N 3.5Å; D122-A124 VanDerWaalsContact C-N 3.35Å; D122-A124 PolarHBondContact O-N 3.45Å; D122-H125 PolarHBondContact O-N 3.1Å; D122-V126 WeakPolarHBondContact O-CG2 3.48Å; D122-V126 PolarHBondContact O-N 3.09Å
123A95.6Very high92.8Very high0 Ų043.9 Ų43.90%021%0.208CC..Hα-helixtrans-59-43.9174.100000112.1Y118 S119 E120 H125 V126 I127 L216 L217 W281Y118-A123 VanDerWaalsContact OH-CB 3.32Å; Y118-A123 WeakPolarHBondContact OH-CB 3.49Å; S119-A123 PolarHBondContact O-N 3.25Å; S119-A123 VanDerWaalsContact O-N 3.11Å; E120-A123 WeakPolarHBondContact O-CB 3.45Å; E120-A123 PolarHBondContact O-N 3.07Å; A123-H125 VanDerWaalsContact C-N 3.34Å; A123-H125 PolarHBondContact O-N 3.18Å; A123-V126 PolarHBondContact O-N 3.14Å; A123-I127 WeakPolarHBondContact O-CB 3.43Å; A123-I127 VanDerWaalsContact O-CG1 3.32Å; A123-I127 WeakPolarHBondContact O-CG1 3.3Å; A123-I127 PolarHBondContact O-N 2.67Å; A123-L216 HydrophobicContact CB-CB 4.36Å; A123-L217 HydrophobicContact CB-CD2 4.49Å; A123-W281 HydrophobicContact CB-CH2 3.74Å; A123-W281 HydrophobicContact CB-CZ2 4.12Å
124A97.1Very high93.3Very high2 Ų242.3 Ų42.32%0.01720%0.199CC..Hα-helixtrans-63.6-39.8177.600000111.9E120 R121 D122 I127 K128 W281 A287E120-A124 WeakPolarHBondContact O-CB 3.27Å; E120-A124 PolarHBondContact O-N 3.14Å; R121-A124 PolarHBondContact O-N 3.45Å; D122-A124 VanDerWaalsContact C-N 3.35Å; D122-A124 PolarHBondContact O-N 3.45Å; A124-I127 PolarHBondContact O-N 2.83Å; A124-K128 VanDerWaalsContact O-CB 3.3Å; A124-K128 WeakPolarHBondContact O-CB 3.46Å; A124-K128 PolarHBondContact O-N 3.38Å; A124-W281 VanDerWaalsContact CA-CH2 3.48Å; A124-W281 HydrophobicContact CB-CD2 4.12Å; A124-W281 HydrophobicContact CB-CE3 3.82Å; A124-W281 HydrophobicContact CB-CH2 3.77Å; A124-W281 HydrophobicContact CB-CZ2 4.02Å; A124-W281 HydrophobicContact CB-CZ3 3.66Å; A124-W281 WeakPolarHBondContact CB-O 3.32Å; A124-W281 VanDerWaalsContact N-CH2 3.28Å; A124-A287 HydrophobicContact CB-CB 4.08Å
125H94.9Very high93.8Very high114 Ų11437 Ų3753%0.52818%0.179SC..Hα-helixtrans-63.9-43175.8-177.264.8000112.2R121 D122 A123 K128 Q129R121-H125 WeakPolarHBondContact O-CB 3.48Å; R121-H125 PolarHBondContact O-N 3.42Å; D122-H125 PolarHBondContact O-N 3.1Å; A123-H125 VanDerWaalsContact C-N 3.34Å; A123-H125 PolarHBondContact O-N 3.18Å; H125-K128 PolarHBondContact O-N 3.21Å; H125-Q129 PolarHBondContact CD2-NE2 3.45Å; H125-Q129 PolarHBondContact NE2-NE2 2.98Å; H125-Q129 PolarHBondContact O-N 3.41Å
126V96Very high94.7Very high5 Ų535.2 Ų35.23%0.0317%0.172CC..Hα-helixtrans-60.9-50.4174.2165.60000110.9L108 D122 A123 K128 Q129 I130 L163 L216L108-V126 HydrophobicContact CD1-CB 4.45Å; L108-V126 HydrophobicContact CD1-CG1 3.71Å; L108-V126 HydrophobicContact CD1-CG2 3.8Å; L108-V126 HydrophobicContact CD2-CG1 3.61Å; L108-V126 HydrophobicContact CG-CG1 4.31Å; D122-V126 WeakPolarHBondContact O-CG2 3.48Å; D122-V126 PolarHBondContact O-N 3.09Å; A123-V126 PolarHBondContact O-N 3.14Å; V126-K128 VanDerWaalsContact C-N 3.3Å; V126-K128 PolarHBondContact O-N 3.06Å; V126-Q129 PolarHBondContact O-N 2.83Å; V126-I130 HydrophobicContact CG1-CD1 4.02Å; V126-I130 WeakPolarHBondContact O-CG1 3.4Å; V126-I130 PolarHBondContact O-N 3.31Å; V126-I130 VanDerWaalsContact O-N 3.09Å; V126-L163 HydrophobicContact CG1-CD2 4.04Å; V126-L216 HydrophobicContact CB-CD1 4.49Å; V126-L216 HydrophobicContact CG1-CD1 3.8Å
127I98.1Very high95.4Very high0 Ų032.7 Ų32.70%015%0.146CC..Hα-helixtrans-64.1-36.4-178.5-71.5-71.7000111.7A123 A124 I130 L131 V209 I212 L213 L216 W281 V282A123-I127 WeakPolarHBondContact O-CB 3.43Å; A123-I127 VanDerWaalsContact O-CG1 3.32Å; A123-I127 WeakPolarHBondContact O-CG1 3.3Å; A123-I127 PolarHBondContact O-N 2.67Å; A124-I127 PolarHBondContact O-N 2.83Å; I127-I130 HydrophobicContact CD1-CD1 4.31Å; I127-I130 PolarHBondContact O-N 3.35Å; I127-L131 HydrophobicContact CG2-CD1 3.74Å; I127-L131 HydrophobicContact CG2-CG 4.21Å; I127-L131 WeakPolarHBondContact O-CB 3.26Å; I127-L131 VanDerWaalsContact O-CG 3.28Å; I127-L131 WeakPolarHBondContact O-CG 3.41Å; I127-L131 PolarHBondContact O-N 3.09Å; I127-V209 HydrophobicContact CD1-CG1 4.26Å; I127-I212 HydrophobicContact CD1-CG2 4.35Å; I127-L213 HydrophobicContact CD1-CB 3.77Å; I127-L213 HydrophobicContact CD1-CD1 4.31Å; I127-L213 HydrophobicContact CG1-CB 4.3Å; I127-L213 HydrophobicContact CG1-CD1 3.88Å; I127-L216 HydrophobicContact CD1-CD1 3.89Å; I127-L216 HydrophobicContact CG1-CD1 3.91Å; I127-W281 HydrophobicContact CB-CZ3 4.31Å; I127-W281 HydrophobicContact CG1-CZ3 4.42Å; I127-W281 HydrophobicContact CG2-CZ3 4.49Å; I127-V282 HydrophobicContact CG2-CG2 4.28Å
128K97.9Very high95.7Very high79 Ų7929.2 Ų29.234%0.34313%0.134SC..Hα-helixtrans-58.9-48.2173.4-176.1177.3171.1-1770111.8A124 H125 V126 I130 L131 E132 V282A124-K128 VanDerWaalsContact O-CB 3.3Å; A124-K128 WeakPolarHBondContact O-CB 3.46Å; A124-K128 PolarHBondContact O-N 3.38Å; H125-K128 PolarHBondContact O-N 3.21Å; V126-K128 VanDerWaalsContact C-N 3.3Å; V126-K128 PolarHBondContact O-N 3.06Å; K128-I130 VanDerWaalsContact C-N 3.3Å; K128-I130 PolarHBondContact O-N 3.43Å; K128-L131 PolarHBondContact O-N 3.22Å; K128-E132 WeakPolarHBondContact CE-OE1 3.18Å; K128-E132 HydrophobicContact CG-CG 4.45Å; K128-E132 IonicContact NZ-OE1 2.58Å; K128-E132 WeakPolarHBondContact O-CG 3.18Å; K128-E132 PolarHBondContact O-N 3.17Å; K128-V282 HydrophobicContact CB-CG1 3.86Å; K128-V282 HydrophobicContact CG-CG1 4.1Å
129Q97.6Very high95.7Very high18 Ų1832 Ų328%0.08416%0.164CC..Hα-helixtrans-61-39.3177.6-71.3-174.864.900112.2N82 H125 V126 A133 L163N82-Q129 PolarHBondContact ND2-OE1 3Å; H125-Q129 PolarHBondContact CD2-NE2 3.45Å; H125-Q129 PolarHBondContact NE2-NE2 2.98Å; H125-Q129 PolarHBondContact O-N 3.41Å; V126-Q129 PolarHBondContact O-N 2.83Å; Q129-A133 PolarHBondContact O-N 2.88Å; Q129-A133 VanDerWaalsContact O-N 3.11Å; Q129-L163 HydrophobicContact CB-CB 4.38Å
130I98.1Very high95.4Very high1 Ų135.5 Ų35.51%0.00518%0.182CC..Hα-helixtrans-63.6-48.1175.3-64.1170.4000110.3V126 I127 K128 E132 A133 V134 L152 L163 I165 V209 I212V126-I130 HydrophobicContact CG1-CD1 4.02Å; V126-I130 WeakPolarHBondContact O-CG1 3.4Å; V126-I130 PolarHBondContact O-N 3.31Å; V126-I130 VanDerWaalsContact O-N 3.09Å; I127-I130 HydrophobicContact CD1-CD1 4.31Å; I127-I130 PolarHBondContact O-N 3.35Å; K128-I130 VanDerWaalsContact C-N 3.3Å; K128-I130 PolarHBondContact O-N 3.43Å; I130-E132 VanDerWaalsContact C-N 3.34Å; I130-E132 PolarHBondContact O-N 3.25Å; I130-A133 PolarHBondContact O-N 3.27Å; I130-V134 HydrophobicContact CG2-CG2 4.27Å; I130-V134 WeakPolarHBondContact O-CB 3.37Å; I130-V134 VanDerWaalsContact O-CG2 3.27Å; I130-V134 WeakPolarHBondContact O-CG2 3.34Å; I130-V134 PolarHBondContact O-N 2.93Å; I130-L152 HydrophobicContact CD1-CD1 3.74Å; I130-L152 HydrophobicContact CD1-CD2 4.1Å; I130-L152 HydrophobicContact CG1-CD2 4.11Å; I130-L163 HydrophobicContact CD1-CD2 4Å; I130-L163 HydrophobicContact CG1-CD2 3.59Å; I130-I165 HydrophobicContact CG2-CD1 4.25Å; I130-V209 HydrophobicContact CG2-CG2 3.81Å; I130-I212 HydrophobicContact CD1-CG2 4.23Å
131L98.5Very high94.9Very high0 Ų038.6 Ų38.60%022%0.215CC..Hα-helixtrans-64.1-36.8179.5-72.4170.1000112.5I127 K128 V134 A135 M206 V209 V273 A276 L277 V282I127-L131 HydrophobicContact CG2-CD1 3.74Å; I127-L131 HydrophobicContact CG2-CG 4.21Å; I127-L131 WeakPolarHBondContact O-CB 3.26Å; I127-L131 VanDerWaalsContact O-CG 3.28Å; I127-L131 WeakPolarHBondContact O-CG 3.41Å; I127-L131 PolarHBondContact O-N 3.09Å; K128-L131 PolarHBondContact O-N 3.22Å; L131-V134 PolarHBondContact O-N 3.37Å; L131-A135 VanDerWaalsContact O-CB 3.27Å; L131-A135 WeakPolarHBondContact O-CB 3.49Å; L131-A135 PolarHBondContact O-N 2.82Å; L131-M206 HydrophobicContact CD2-CE 3.6Å; L131-M206 HydrophobicContact CD2-SD 4.37Å; L131-V209 HydrophobicContact CD2-CG1 4.03Å; L131-V209 HydrophobicContact CG-CG1 4.41Å; L131-V273 HydrophobicContact CB-CG2 4.37Å; L131-V273 HydrophobicContact CD2-CG2 4Å; L131-V273 VanDerWaalsContact O-CG2 3.23Å; L131-V273 WeakPolarHBondContact O-CG2 3.39Å; L131-A276 HydrophobicContact CD1-CB 3.95Å; L131-A276 HydrophobicContact CD2-CB 3.85Å; L131-L277 HydrophobicContact CB-CD2 3.54Å; L131-L277 HydrophobicContact CB-CG 3.9Å; L131-L277 HydrophobicContact CD1-CD2 4.45Å; L131-V282 HydrophobicContact CD1-CG1 3.99Å; L131-V282 HydrophobicContact CD1-CG2 3.95Å
132E98.3Very high94.4Very high67 Ų6732.9 Ų32.931%0.31320%0.196SC..Hα-helixtrans-63.2-45.3174.9-74.7171163.900111.2K128 I130 A135 Y136 L277K128-E132 WeakPolarHBondContact CE-OE1 3.18Å; K128-E132 HydrophobicContact CG-CG 4.45Å; K128-E132 IonicContact NZ-OE1 2.58Å; K128-E132 WeakPolarHBondContact O-CG 3.18Å; K128-E132 PolarHBondContact O-N 3.17Å; I130-E132 VanDerWaalsContact C-N 3.34Å; I130-E132 PolarHBondContact O-N 3.25Å; E132-A135 PolarHBondContact O-N 3.2Å; E132-Y136 PolarHBondContact O-N 3.03Å; E132-L277 HydrophobicContact CG-CD2 3.91Å
133A96.8Very high94.1Very high0 Ų031.9 Ų31.90%019%0.192CC..Hα-helixtrans-62.1-46.1173.400000112.5N82 I83 Q129 I130 A135 Y136 L137 I165N82-A133 HydrophobicContact CB-CB 3.88Å; I83-A133 HydrophobicContact CD1-CB 4.29Å; I83-A133 HydrophobicContact CG1-CB 3.81Å; Q129-A133 PolarHBondContact O-N 2.88Å; Q129-A133 VanDerWaalsContact O-N 3.11Å; I130-A133 PolarHBondContact O-N 3.27Å; A133-A135 VanDerWaalsContact C-N 3.32Å; A133-A135 PolarHBondContact O-N 2.8Å; A133-Y136 WeakPolarHBondContact O-CB 3.46Å; A133-Y136 PolarHBondContact O-N 2.62Å; A133-L137 WeakPolarHBondContact O-CG 3.37Å; A133-L137 PolarHBondContact O-N 2.78Å; A133-I165 HydrophobicContact CB-CD1 3.48Å; A133-I165 VanDerWaalsContact CB-CD1 3.48Å; A133-I165 HydrophobicContact CB-CG1 4.06Å
134V96.4Very high93.7Very high0 Ų031.9 Ų31.90%019%0.192CC..Hα-helixtrans-62.8-40.1178.4171.60000111I130 L131 Y136 L137 H138 L147 I165 D205 M206 V209 V273I130-V134 HydrophobicContact CG2-CG2 4.27Å; I130-V134 WeakPolarHBondContact O-CB 3.37Å; I130-V134 VanDerWaalsContact O-CG2 3.27Å; I130-V134 WeakPolarHBondContact O-CG2 3.34Å; I130-V134 PolarHBondContact O-N 2.93Å; L131-V134 PolarHBondContact O-N 3.37Å; V134-Y136 VanDerWaalsContact C-N 3.31Å; V134-Y136 PolarHBondContact O-N 3.17Å; V134-L137 PolarHBondContact O-N 3.43Å; V134-H138 WeakPolarHBondContact CG1-CE1 3.47Å; V134-H138 WeakPolarHBondContact O-CB 3.4Å; V134-H138 PolarHBondContact O-CD2 3.22Å; V134-H138 VanDerWaalsContact O-CG 3.29Å; V134-H138 PolarHBondContact O-N 3.45Å; V134-L147 HydrophobicContact CG2-CD1 3.75Å; V134-I165 HydrophobicContact CG2-CD1 4.29Å; V134-D205 HydrophobicContact CG1-CB 4.27Å; V134-M206 HydrophobicContact CG1-SD 4.14Å; V134-V209 HydrophobicContact CG2-CG2 4.45Å; V134-V273 HydrophobicContact CB-CG2 4.13Å; V134-V273 HydrophobicContact CG1-CB 4.35Å; V134-V273 HydrophobicContact CG1-CG2 3.91Å
135A97.3Very high93.2Very high27 Ų2733.8 Ų33.822%0.22320%0.198CC..Hα-helixtrans-62.8-40.7176.500000111.6L131 E132 A133 G139 V273 L277L131-A135 VanDerWaalsContact O-CB 3.27Å; L131-A135 WeakPolarHBondContact O-CB 3.49Å; L131-A135 PolarHBondContact O-N 2.82Å; E132-A135 PolarHBondContact O-N 3.2Å; A133-A135 VanDerWaalsContact C-N 3.32Å; A133-A135 PolarHBondContact O-N 2.8Å; A135-G139 PolarHBondContact O-N 3.07Å; A135-V273 HydrophobicContact CB-CB 4.49Å; A135-V273 HydrophobicContact CB-CG1 3.93Å; A135-V273 HydrophobicContact CB-CG2 3.75Å; A135-L277 HydrophobicContact CB-CD1 3.93Å
136Y95.8Very high92.7Very high62 Ų6229.4 Ų29.424%0.24318%0.179CC..Hα-helixtrans-63.5-45.6174.4-179-91.2000111.8L78 S79 H80 I83 E132 A133 V134 G139 N140L78-Y136 HydrophobicContact CB-CE1 4.04Å; L78-Y136 HydrophobicContact CD2-CD1 4.39Å; L78-Y136 HydrophobicContact CD2-CE1 3.67Å; L78-Y136 HydrophobicContact CG-CE1 4.4Å; S79-Y136 PolarHBondContact N-OH 3.3Å; S79-Y136 VanDerWaalsContact O-CZ 3.32Å; S79-Y136 PolarHBondContact O-OH 2.76Å; H80-Y136 HydrophobicContact CB-CD1 3.83Å; H80-Y136 HydrophobicContact CB-CD2 4.32Å; H80-Y136 HydrophobicContact CB-CE1 4.03Å; H80-Y136 HydrophobicContact CB-CG 3.97Å; H80-Y136 AromaticContact CD2-CD2 3.8Å; H80-Y136 AromaticContact CD2-CG 3.72Å; I83-Y136 HydrophobicContact CD1-CD1 3.53Å; I83-Y136 HydrophobicContact CD1-CE1 4.22Å; I83-Y136 HydrophobicContact CD1-CG 4.35Å; E132-Y136 PolarHBondContact O-N 3.03Å; A133-Y136 WeakPolarHBondContact O-CB 3.46Å; A133-Y136 PolarHBondContact O-N 2.62Å; V134-Y136 VanDerWaalsContact C-N 3.31Å; V134-Y136 PolarHBondContact O-N 3.17Å; Y136-G139 PolarHBondContact O-N 3.34Å; Y136-N140 PolarHBondContact O-N 2.89Å; Y136-N140 VanDerWaalsContact O-N 3.14Å; Y136-N140 PolarHBondContact O-ND2 3.21Å
137L92.3Very high92.4Very high0 Ų029.2 Ų29.20%018%0.178CC..Hα-helixtrans-59.5-53176.8-71173.2000111.4L78 I83 A133 V134 G139 N140 G141 V142 H144 F168L78-L137 HydrophobicContact CD1-CD2 3.59Å; I83-L137 HydrophobicContact CD1-CD1 4.4Å; I83-L137 HydrophobicContact CD1-CD2 3.79Å; I83-L137 HydrophobicContact CD1-CG 3.74Å; A133-L137 WeakPolarHBondContact O-CG 3.37Å; A133-L137 PolarHBondContact O-N 2.78Å; V134-L137 PolarHBondContact O-N 3.43Å; L137-G139 VanDerWaalsContact C-N 3.29Å; L137-G139 PolarHBondContact O-N 3.49Å; L137-N140 CarbonylContact O-C 3.52Å; L137-N140 WeakPolarHBondContact O-CA 3.47Å; L137-N140 PolarHBondContact O-N 3.18Å; L137-G141 PolarHBondContact O-N 2.91Å; L137-V142 CarbonylContact C-O 3.44Å; L137-V142 HydrophobicContact CB-CB 4.31Å; L137-V142 HydrophobicContact CD2-CB 4.14Å; L137-V142 HydrophobicContact CD2-CG1 3.96Å; L137-V142 PolarHBondContact O-N 2.98Å; L137-H144 HydrophobicContact CD1-CB 4.31Å; L137-F168 HydrophobicContact CD1-CD1 4.39Å; L137-F168 HydrophobicContact CD1-CE1 4.35Å; L137-F168 HydrophobicContact CD2-CD1 4.17Å; L137-F168 HydrophobicContact CD2-CE1 4.1Å
138H91.8Very high92Very high37 Ų3731.4 Ų31.417%0.17119%0.187CC..Hα-helixtrans-61.5-38.6-179.6-68-178.5000111.6V134 N140 G141 V142 P202 D205V134-H138 WeakPolarHBondContact CG1-CE1 3.47Å; V134-H138 WeakPolarHBondContact O-CB 3.4Å; V134-H138 PolarHBondContact O-CD2 3.22Å; V134-H138 VanDerWaalsContact O-CG 3.29Å; V134-H138 PolarHBondContact O-N 3.45Å; H138-N140 PolarHBondContact O-N 2.81Å; H138-G141 PolarHBondContact O-N 3.45Å; H138-V142 PolarHBondContact CD2-O 3.31Å; H138-V142 PolarHBondContact N-O 2.76Å; H138-P202 VanDerWaalsContact CE1-CB 3.47Å; H138-P202 WeakPolarHBondContact CE1-CB 3.41Å; H138-P202 PolarHBondContact CE1-O 3.24Å; H138-P202 PolarHBondContact NE2-O 3.37Å; H138-D205 IonicContact CD2-OD2 3.53Å; H138-D205 IonicContact CE1-OD2 3.69Å; H138-D205 IonicContact NE2-OD2 3.75Å; H138-D205 PolarHBondContact NE2-OD2 3.43Å
139G91.1Very high91.5Very high63 Ų6327.7 Ų27.765%0.64917%0.171SC*.Hα-helixtrans-63.9-24.6174.900000114.2A135 Y136 L137A135-G139 PolarHBondContact O-N 3.07Å; Y136-G139 PolarHBondContact O-N 3.34Å; L137-G139 VanDerWaalsContact C-N 3.29Å; L137-G139 PolarHBondContact O-N 3.49Å
140N88Confident90.9Very high77 Ų7729.3 Ų29.341%0.41218%0.179SC..THydrogen-bonded Turntrans-97.411.7174.1-73.7-83.4000112.9L78 Y136 L137 H138 V142L78-N140 HydrophobicContact CD2-CB 3.79Å; Y136-N140 PolarHBondContact O-N 2.89Å; Y136-N140 VanDerWaalsContact O-N 3.14Å; Y136-N140 PolarHBondContact O-ND2 3.21Å; L137-N140 CarbonylContact O-C 3.52Å; L137-N140 WeakPolarHBondContact O-CA 3.47Å; L137-N140 PolarHBondContact O-N 3.18Å; H138-N140 PolarHBondContact O-N 2.81Å; N140-V142 VanDerWaalsContact C-N 3.29Å; N140-V142 PolarHBondContact O-N 3.3Å
141G84Confident90.5Very high68 Ų6829.7 Ų29.770%0.70118%0.181SC*.THydrogen-bonded Turntrans72.419.3178.900000114.4L137 H138L137-G141 PolarHBondContact O-N 2.91Å; H138-G141 PolarHBondContact O-N 3.45Å
142V84.6Confident90.3Very high20 Ų2029.7 Ų29.712%0.12118%0.181CC..  trans-104.4129.8178.7-178.60000109.6V74 L78 L137 H138 N140V74-V142 HydrophobicContact CB-CG2 4.37Å; V74-V142 HydrophobicContact CG1-CG2 3.49Å; V74-V142 VanDerWaalsContact CG1-CG2 3.49Å; L78-V142 HydrophobicContact CD1-CG2 4.42Å; L78-V142 HydrophobicContact CD2-CG2 4.49Å; L137-V142 CarbonylContact C-O 3.44Å; L137-V142 HydrophobicContact CB-CB 4.31Å; L137-V142 HydrophobicContact CD2-CB 4.14Å; L137-V142 HydrophobicContact CD2-CG1 3.96Å; L137-V142 PolarHBondContact O-N 2.98Å; H138-V142 PolarHBondContact CD2-O 3.31Å; H138-V142 PolarHBondContact N-O 2.76Å; N140-V142 VanDerWaalsContact C-N 3.29Å; N140-V142 PolarHBondContact O-N 3.3Å
143V86.2Confident90.2Very high30 Ų3028.2 Ų28.218%0.18217%0.174CC..  trans-108.6130.7170.8-175.60000107.8R145 P202 V204 D205V143-R145 HydrophobicContact CB-CG 4.15Å; V143-R145 HydrophobicContact CG1-CG 3.74Å; V143-P202 HydrophobicContact CG2-CB 4.08Å; V143-V204 HydrophobicContact CG1-CG2 3.73Å; V143-D205 WeakPolarHBondContact CG1-OD2 3.38Å
144H87.8Confident90.1Very high0 Ų028.7 Ų28.70%018%0.176CC..  trans-72.2-43-173.6-171.2-75.5000112.4L137 D146 L147 I165 A166 D167 F168 G169 D205L137-H144 HydrophobicContact CD1-CB 4.31Å; H144-D146 VanDerWaalsContact CE1-C 3.5Å; H144-D146 PolarHBondContact CE1-O 3.29Å; H144-D146 PolarHBondContact ND1-N 2.73Å; H144-D146 PolarHBondContact O-N 2.94Å; H144-L147 HydrophobicContact CB-CD1 4.48Å; H144-L147 HydrophobicContact CB-CD2 4.15Å; H144-L147 HydrophobicContact CB-CG 3.92Å; H144-L147 PolarHBondContact ND1-N 2.84Å; H144-I165 WeakPolarHBondContact NE2-CG2 3.23Å; H144-A166 PolarHBondContact NE2-O 3.47Å; H144-D167 PolarHBondContact CE1-O 3.46Å; H144-D167 PolarHBondContact NE2-O 2.86Å; H144-F168 AromaticContact CD2-CD1 3.8Å; H144-G169 WeakPolarHBondContact O-CA 3.15Å; H144-G169 PolarHBondContact O-N 2.82Å; H144-G169 VanDerWaalsContact O-N 3.17Å; H144-D205 WeakPolarHBondContact CB-OD1 3.17Å; H144-D205 PolarHBondContact N-OD1 2.76Å; H144-D205 PolarHBondContact N-OD2 3.2Å
145R86.4Confident90.1Very high42 Ų4229.4 Ų29.416%0.15818%0.182CC..SBendtrans66-9.5175.4-51.9176-174.8149.14.8116.5E71 V143 K172 Y200 D205E71-R145 IonicContact OE1-CZ 3.2Å; E71-R145 IonicContact OE1-NH1 3.38Å; E71-R145 PolarHBondContact OE1-NH1 2.92Å; E71-R145 IonicContact OE1-NH2 3.37Å; E71-R145 PolarHBondContact OE1-NH2 3.35Å; E71-R145 IonicContact OE2-CZ 2.71Å; E71-R145 IonicContact OE2-NH1 3.6Å; E71-R145 PolarHBondContact OE2-NH1 3.05Å; E71-R145 IonicContact OE2-NH2 3.38Å; V143-R145 HydrophobicContact CB-CG 4.15Å; V143-R145 HydrophobicContact CG1-CG 3.74Å; R145-K172 PolarHBondContact O-NZ 3.26Å; R145-Y200 HydrophobicContact CG-CE2 4.24Å; R145-D205 PolarHBondContact N-OD1 3.17Å
146D84.1Confident90Very high22 Ų2231.2 Ų31.212%0.11819%0.188CC..  trans-140.540.8179.2-154.349.7000113.4H144 K148 N151 K172H144-D146 VanDerWaalsContact CE1-C 3.5Å; H144-D146 PolarHBondContact CE1-O 3.29Å; H144-D146 PolarHBondContact ND1-N 2.73Å; H144-D146 PolarHBondContact O-N 2.94Å; D146-K148 PolarHBondContact O-N 3.2Å; D146-K148 WeakPolarHBondContact OD2-CE 3.46Å; D146-K148 IonicContact OD2-NZ 2.74Å; D146-K148 PolarHBondContact OD2-NZ 3.3Å; D146-N151 PolarHBondContact O-ND2 3.32Å; D146-K172 WeakPolarHBondContact OD1-CE 3.14Å; D146-K172 IonicContact OD1-NZ 3.7Å; D146-K172 PolarHBondContact OD1-NZ 3.34Å
147L90.2Very high89.8Confident1 Ų134.4 Ų34.41%0.00521%0.209CC..  trans-68.1123.4173.7-72.5175.9000109.9V134 H144 I165 D205 V209 I212V134-L147 HydrophobicContact CG2-CD1 3.75Å; H144-L147 HydrophobicContact CB-CD1 4.48Å; H144-L147 HydrophobicContact CB-CD2 4.15Å; H144-L147 HydrophobicContact CB-CG 3.92Å; H144-L147 PolarHBondContact ND1-N 2.84Å; L147-I165 HydrophobicContact CD2-CD1 3.95Å; L147-I165 HydrophobicContact CD2-CG2 3.78Å; L147-D205 HydrophobicContact CD1-CB 3.8Å; L147-V209 HydrophobicContact CD1-CG2 4Å; L147-I212 HydrophobicContact CB-CD1 4.29Å
148K88.9Confident89.8Confident46 Ų4636.4 Ų36.420%0.222%0.223CC..  trans-160.7161.7-177.463.8-173.6-174.6-151.70110.4D146 E150 N151 Y189D146-K148 PolarHBondContact O-N 3.2Å; D146-K148 WeakPolarHBondContact OD2-CE 3.46Å; D146-K148 IonicContact OD2-NZ 2.74Å; D146-K148 PolarHBondContact OD2-NZ 3.3Å; K148-E150 VanDerWaalsContact C-N 3.26Å; K148-E150 WeakPolarHBondContact CB-OE2 3.33Å; K148-E150 HydrophobicContact CD-CB 4.39Å; K148-E150 WeakPolarHBondContact CD-OE2 3.21Å; K148-E150 HydrophobicContact CG-CB 4.2Å; K148-E150 WeakPolarHBondContact CG-OE2 3.32Å; K148-E150 PolarHBondContact O-N 3.36Å; K148-E150 VanDerWaalsContact O-N 3.17Å; K148-N151 HydrophobicContact CG-CB 4.22Å; K148-N151 PolarHBondContact O-N 2.58Å; K148-Y189 HydrophobicContact CB-CD1 4.46Å; K148-Y189 HydrophobicContact CB-CD2 4.04Å; K148-Y189 HydrophobicContact CB-CG 4.06Å
149P86.6Confident89.5Confident0 Ų041.5 Ų41.50%025%0.251CS..G310 helixtrans-45.9-43.3178.6-3640.5000115.7F109 N151 L152 Y189 F302F109-P149 HydrophobicContact CD2-CB 3.57Å; F109-P149 HydrophobicContact CD2-CG 4.15Å; F109-P149 HydrophobicContact CE2-CB 3.37Å; F109-P149 HydrophobicContact CE2-CG 3.48Å; F109-P149 VanDerWaalsContact CE2-CG 3.48Å; F109-P149 HydrophobicContact CZ-CB 4.42Å; F109-P149 HydrophobicContact CZ-CG 4.11Å; P149-N151 PolarHBondContact O-N 2.81Å; P149-N151 VanDerWaalsContact O-N 3.16Å; P149-L152 PolarHBondContact O-N 2.93Å; P149-L152 VanDerWaalsContact O-N 3.16Å; P149-Y189 VanDerWaalsContact CD-CZ 3.41Å; P149-Y189 HydrophobicContact CG-CE1 3.81Å; P149-F302 HydrophobicContact CG-CE1 4.44Å; P149-F302 HydrophobicContact CG-CZ 4.19Å
150E85.2Confident89.3Confident53 Ų5345.3 Ų45.325%0.24826%0.256CS..G310 helixtrans-60.3-25.5-179-63.372.8-17200112.9K148 R306K148-E150 VanDerWaalsContact C-N 3.26Å; K148-E150 WeakPolarHBondContact CB-OE2 3.33Å; K148-E150 HydrophobicContact CD-CB 4.39Å; K148-E150 WeakPolarHBondContact CD-OE2 3.21Å; K148-E150 HydrophobicContact CG-CB 4.2Å; K148-E150 WeakPolarHBondContact CG-OE2 3.32Å; K148-E150 PolarHBondContact O-N 3.36Å; K148-E150 VanDerWaalsContact O-N 3.17Å; E150-R306 VanDerWaalsContact OE1-CD 3.31Å; E150-R306 WeakPolarHBondContact OE1-CD 3.38Å; E150-R306 IonicContact OE1-NH1 3.66Å; E150-R306 PolarHBondContact OE1-NH1 3.14Å
151N90.4Very high89.6Confident9 Ų941.8 Ų41.85%0.04824%0.238CC..G310 helixtrans-97.88.1-174.9-71.9-5.5000112.1D146 K148 P149 I165 A166D146-N151 PolarHBondContact O-ND2 3.32Å; K148-N151 HydrophobicContact CG-CB 4.22Å; K148-N151 PolarHBondContact O-N 2.58Å; P149-N151 PolarHBondContact O-N 2.81Å; P149-N151 VanDerWaalsContact O-N 3.16Å; N151-I165 CarbonylContact O-C 3.43Å; N151-I165 WeakPolarHBondContact O-CA 3.34Å; N151-A166 WeakPolarHBondContact CB-O 3.34Å; N151-A166 PolarHBondContact O-N 2.95Å
152L94.6Very high90.2Very high0 Ų040.8 Ų40.80%022%0.219CC..EExtended strand (participates in β ladder)trans-114.3100.1-179.7-60.2176.1000109.2L108 I130 P149 L163 I165 I212L108-L152 HydrophobicContact CB-CB 3.95Å; L108-L152 HydrophobicContact CD2-CB 4.2Å; L108-L152 HydrophobicContact CD2-CD1 3.72Å; L108-L152 PolarHBondContact N-O 2.89Å; I130-L152 HydrophobicContact CD1-CD1 3.74Å; I130-L152 HydrophobicContact CD1-CD2 4.1Å; I130-L152 HydrophobicContact CG1-CD2 4.11Å; P149-L152 PolarHBondContact O-N 2.93Å; P149-L152 VanDerWaalsContact O-N 3.16Å; L152-L163 HydrophobicContact CB-CD1 4.27Å; L152-I165 HydrophobicContact CD2-CG1 3.94Å; L152-I212 HydrophobicContact CD1-CD1 4.06Å; L152-I212 HydrophobicContact CD1-CG2 4.06Å
153L94.9Very high90.7Very high35 Ų3540 Ų4018%0.18321%0.214CC..EExtended strand (participates in β ladder)trans-118.5143.7-171.2-55.2-179.7000110.8I84 V103 G106 E107 K164 A166I84-L153 HydrophobicContact CD1-CD1 4.28Å; V103-L153 HydrophobicContact CG2-CB 3.85Å; V103-L153 HydrophobicContact CG2-CD1 3.6Å; V103-L153 HydrophobicContact CG2-CG 4.38Å; G106-L153 CarbonylContact O-C 3.6Å; G106-L153 WeakPolarHBondContact O-CA 3.36Å; E107-L153 HydrophobicContact CB-CD2 4.34Å; E107-L153 HydrophobicContact CG-CD2 3.75Å; L153-K164 PolarHBondContact N-O 3.33Å; L153-K164 WeakPolarHBondContact O-CA 3.46Å; L153-K164 PolarHBondContact O-N 2.78Å; L153-A166 HydrophobicContact CD1-CB 3.9Å; L153-A166 HydrophobicContact CG-CB 4.3Å
154Y96.3Very high91.2Very high10 Ų1039.3 Ų39.34%0.03921%0.209CC..EExtended strand (participates in β ladder)trans-83.8142.2169.6-78.5-79.4000110.8G105 G106 L108 R111 D156 A161 L163G105-Y154 WeakPolarHBondContact CA-O 3.5Å; G105-Y154 PolarHBondContact N-O 3.32Å; G106-Y154 PolarHBondContact O-N 2.81Å; L108-Y154 HydrophobicContact CD1-CE2 3.81Å; R111-Y154 HydrophobicContact CB-CD2 3.78Å; R111-Y154 HydrophobicContact CB-CE2 3.58Å; R111-Y154 HydrophobicContact CG-CD2 3.57Å; R111-Y154 HydrophobicContact CG-CE2 3.95Å; R111-Y154 HydrophobicContact CG-CG 4.41Å; Y154-D156 VanDerWaalsContact C-N 3.32Å; Y154-D156 PolarHBondContact O-N 3.01Å; Y154-A161 HydrophobicContact CD1-CB 4.21Å; Y154-A161 VanDerWaalsContact CD1-O 3.23Å; Y154-A161 WeakPolarHBondContact CD1-O 3.47Å; Y154-A161 WeakPolarHBondContact CE1-O 3.44Å; Y154-L163 HydrophobicContact CD1-CD1 4.42Å; Y154-L163 HydrophobicContact CD2-CD1 4.24Å; Y154-L163 HydrophobicContact CE1-CB 4.3Å; Y154-L163 HydrophobicContact CE1-CD1 4.25Å; Y154-L163 HydrophobicContact CE2-CD1 4.11Å; Y154-L163 HydrophobicContact CG-CD1 4.43Å
155A95.4Very high91.6Very high15 Ų1539.4 Ų39.412%0.12421%0.209CC..SBendtrans-56.8-45.3-179.600000112.5V103 T104 P162 K164V103-A155 CarbonylContact C-O 3.6Å; V103-A155 WeakPolarHBondContact CA-O 3.45Å; T104-A155 PolarHBondContact N-O 2.92Å; A155-P162 HydrophobicContact CB-CG 3.84Å; A155-P162 PolarHBondContact N-O 2.87Å; A155-K164 HydrophobicContact CB-CD 4.01Å
156D94.8Very high91.7Very high66 Ų6637.9 Ų37.935%0.35321%0.206SC..SBendtrans-155.5-174.3179.362.463.4000111G105 R111 Y154 S158 A161G105-D156 WeakPolarHBondContact CA-O 3.29Å; R111-D156 PolarHBondContact NH1-O 3.2Å; Y154-D156 VanDerWaalsContact C-N 3.32Å; Y154-D156 PolarHBondContact O-N 3.01Å; D156-S158 VanDerWaalsContact C-N 3.31Å; D156-S158 PolarHBondContact O-N 3.22Å; D156-S158 WeakPolarHBondContact OD1-CA 3.4Å; D156-S158 WeakPolarHBondContact OD1-CB 3.46Å; D156-S158 PolarHBondContact OD1-N 3.34Å; D156-S158 PolarHBondContact OD1-OG 3.01Å; D156-A161 VanDerWaalsContact O-CB 3.22Å; D156-A161 WeakPolarHBondContact O-CB 3.35Å
157L92.3Very high91.4Very high128 Ų12839 Ų3967%0.6721%0.211SC*.SBendtrans-80.2-1.7-175.6-66.9174.7000114.8
158S92.4Very high90.4Very high42 Ų4239.5 Ų39.529%0.29421%0.213SC..SBendtrans-63.8152.3178.688.90000111.5R111 D156 D160 A161R111-S158 PolarHBondContact NH2-O 3.3Å; D156-S158 VanDerWaalsContact C-N 3.31Å; D156-S158 PolarHBondContact O-N 3.22Å; D156-S158 WeakPolarHBondContact OD1-CA 3.4Å; D156-S158 WeakPolarHBondContact OD1-CB 3.46Å; D156-S158 PolarHBondContact OD1-N 3.34Å; D156-S158 PolarHBondContact OD1-OG 3.01Å; S158-D160 WeakPolarHBondContact CB-OD1 3.35Å; S158-D160 PolarHBondContact O-N 2.98Å; S158-D160 PolarHBondContact OG-OD1 2.99Å; S158-A161 VanDerWaalsContact O-CB 3.31Å; S158-A161 WeakPolarHBondContact O-CB 3.38Å; S158-A161 PolarHBondContact O-N 2.7Å; S158-A161 WeakPolarHBondContact OG-CA 3.27Å; S158-A161 WeakPolarHBondContact OG-CB 3.27Å; S158-A161 PolarHBondContact OG-N 2.82Å
159L85Confident89Confident145 Ų14537.5 Ų37.576%0.75921%0.206SC*.THydrogen-bonded Turntrans-64.6-30.8-178.9-71173.5000112.7R115R115-L159 PolarHBondContact NH2-O 2.99Å
160D88.1Confident87.7Confident142 Ų14237.8 Ų37.876%0.75921%0.208SC*.THydrogen-bonded Turntrans-99.88.8-179.562.7-26.4000113.3S158S158-D160 WeakPolarHBondContact CB-OD1 3.35Å; S158-D160 PolarHBondContact O-N 2.98Å; S158-D160 PolarHBondContact OG-OD1 2.99Å
161A93.8Very high86Confident4 Ų436.5 Ų36.53%0.03320%0.204CC..PPolyproline II helixtrans-52.7131-17900000110.7Y154 D156 S158Y154-A161 HydrophobicContact CD1-CB 4.21Å; Y154-A161 VanDerWaalsContact CD1-O 3.23Å; Y154-A161 WeakPolarHBondContact CD1-O 3.47Å; Y154-A161 WeakPolarHBondContact CE1-O 3.44Å; D156-A161 VanDerWaalsContact O-CB 3.22Å; D156-A161 WeakPolarHBondContact O-CB 3.35Å; S158-A161 VanDerWaalsContact O-CB 3.31Å; S158-A161 WeakPolarHBondContact O-CB 3.38Å; S158-A161 PolarHBondContact O-N 2.7Å; S158-A161 WeakPolarHBondContact OG-CA 3.27Å; S158-A161 WeakPolarHBondContact OG-CB 3.27Å; S158-A161 PolarHBondContact OG-N 2.82Å
162P95.5Very high84.3Confident47 Ų4738.9 Ų38.931%0.30521%0.214SC..PPolyproline II helixtrans-67.9143.5177.926.3-32.8000110.6A155A155-P162 HydrophobicContact CB-CG 3.84Å; A155-P162 PolarHBondContact N-O 2.87Å
163L96.8Very high82.3Confident2 Ų239.4 Ų39.41%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-76.3133.3168.7-172.673.7000109N82 L108 V126 Q129 I130 L152 Y154N82-L163 WeakPolarHBondContact CA-O 3.41Å; N82-L163 VanDerWaalsContact CB-O 3.24Å; N82-L163 WeakPolarHBondContact CB-O 3.38Å; N82-L163 PolarHBondContact ND2-O 3.31Å; L108-L163 HydrophobicContact CB-CD1 4.13Å; L108-L163 HydrophobicContact CD1-CD1 4.14Å; V126-L163 HydrophobicContact CG1-CD2 4.04Å; Q129-L163 HydrophobicContact CB-CB 4.38Å; I130-L163 HydrophobicContact CD1-CD2 4Å; I130-L163 HydrophobicContact CG1-CD2 3.59Å; L152-L163 HydrophobicContact CB-CD1 4.27Å; Y154-L163 HydrophobicContact CD1-CD1 4.42Å; Y154-L163 HydrophobicContact CD2-CD1 4.24Å; Y154-L163 HydrophobicContact CE1-CB 4.3Å; Y154-L163 HydrophobicContact CE1-CD1 4.25Å; Y154-L163 HydrophobicContact CE2-CD1 4.11Å; Y154-L163 HydrophobicContact CG-CD1 4.43Å
164K96.4Very high80Confident17 Ų1738.2 Ų38.27%0.07421%0.21CC..EExtended strand (participates in β ladder)trans-120.6130.6179.9-70.5178.1170.4-70.60110.4P81 N82 I84 E101 V103 L153 A155P81-K164 PolarHBondContact O-NZ 3.43Å; N82-K164 WeakPolarHBondContact O-CA 3.28Å; I84-K164 HydrophobicContact CG1-CB 3.93Å; I84-K164 HydrophobicContact CG1-CD 4.48Å; E101-K164 VanDerWaalsContact CD-NZ 3.29Å; E101-K164 WeakPolarHBondContact OE1-CE 3.44Å; E101-K164 IonicContact OE1-NZ 2.86Å; E101-K164 PolarHBondContact OE1-NZ 2.76Å; E101-K164 VanDerWaalsContact OE2-CE 3.31Å; E101-K164 WeakPolarHBondContact OE2-CE 3.48Å; E101-K164 IonicContact OE2-NZ 3.96Å; E101-K164 PolarHBondContact OE2-NZ 3.35Å; E101-K164 VanDerWaalsContact OE2-NZ 3.13Å; V103-K164 HydrophobicContact CG1-CD 3.54Å; L153-K164 PolarHBondContact N-O 3.33Å; L153-K164 WeakPolarHBondContact O-CA 3.46Å; L153-K164 PolarHBondContact O-N 2.78Å; A155-K164 HydrophobicContact CB-CD 4.01Å
165I94.6Very high77.8Confident2 Ų239.6 Ų39.61%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-79.5121.6169.1-58.1-173.9000108.4N82 I84 I130 A133 V134 H144 L147 N151 L152N82-I165 PolarHBondContact O-N 3.41Å; I84-I165 PolarHBondContact N-O 2.99Å; I130-I165 HydrophobicContact CG2-CD1 4.25Å; A133-I165 HydrophobicContact CB-CD1 3.48Å; A133-I165 VanDerWaalsContact CB-CD1 3.48Å; A133-I165 HydrophobicContact CB-CG1 4.06Å; V134-I165 HydrophobicContact CG2-CD1 4.29Å; H144-I165 WeakPolarHBondContact NE2-CG2 3.23Å; L147-I165 HydrophobicContact CD2-CD1 3.95Å; L147-I165 HydrophobicContact CD2-CG2 3.78Å; N151-I165 CarbonylContact O-C 3.43Å; N151-I165 WeakPolarHBondContact O-CA 3.34Å; L152-I165 HydrophobicContact CD2-CG1 3.94Å
166A88.9Confident75.4Confident10 Ų1041.7 Ų41.78%0.08323%0.228CC..  trans-101.3164175.800000111I84 H144 N151 L153I84-A166 HydrophobicContact CD1-CB 3.41Å; I84-A166 VanDerWaalsContact CD1-CB 3.41Å; I84-A166 HydrophobicContact CG1-CB 4.15Å; H144-A166 PolarHBondContact NE2-O 3.47Å; N151-A166 WeakPolarHBondContact CB-O 3.34Å; N151-A166 PolarHBondContact O-N 2.95Å; L153-A166 HydrophobicContact CD1-CB 3.9Å; L153-A166 HydrophobicContact CG-CB 4.3Å
167D77.8Confident72.8Confident44 Ų4445 Ų4524%0.23524%0.241CC..  trans53.563.9165.7-156.45.9000115.4K57 H144 G169K57-D167 IonicContact NZ-OD1 2.67Å; K57-D167 PolarHBondContact NZ-OD1 3.29Å; K57-D167 IonicContact NZ-OD2 2.78Å; K57-D167 PolarHBondContact NZ-OD2 2.97Å; H144-D167 PolarHBondContact CE1-O 3.46Å; H144-D167 PolarHBondContact NE2-O 2.86Å; D167-G169 PolarHBondContact O-N 2.96Å
168F70.3Confident70.3Confident12 Ų1241 Ų415%0.05322%0.222CC..  trans-49.8139.3163.1-41.7-75000108.4L75 I83 L137 H144 L170L75-F168 HydrophobicContact CD1-CB 4.3Å; L75-F168 HydrophobicContact CD1-CD2 4.05Å; L75-F168 HydrophobicContact CD1-CG 4.42Å; L75-F168 HydrophobicContact CD2-CB 4.16Å; L75-F168 HydrophobicContact CD2-CD2 4.05Å; L75-F168 HydrophobicContact CD2-CG 3.93Å; I83-F168 HydrophobicContact CB-CZ 4.5Å; I83-F168 HydrophobicContact CG2-CE1 3.64Å; I83-F168 HydrophobicContact CG2-CE2 4.37Å; I83-F168 HydrophobicContact CG2-CZ 3.28Å; L137-F168 HydrophobicContact CD1-CD1 4.39Å; L137-F168 HydrophobicContact CD1-CE1 4.35Å; L137-F168 HydrophobicContact CD2-CD1 4.17Å; L137-F168 HydrophobicContact CD2-CE1 4.1Å; H144-F168 AromaticContact CD2-CD1 3.8Å; F168-L170 WeakPolarHBondContact O-CG 3.23Å; F168-L170 PolarHBondContact O-N 3.46Å
169G58.5Low67.8Low4 Ų443.7 Ų43.74%0.04124%0.237CC..SBendtrans-57.629.1-168.700000119.2H144 D167 S171 K172 I173H144-G169 WeakPolarHBondContact O-CA 3.15Å; H144-G169 PolarHBondContact O-N 2.82Å; H144-G169 VanDerWaalsContact O-N 3.17Å; D167-G169 PolarHBondContact O-N 2.96Å; G169-S171 PolarHBondContact O-N 3.15Å; G169-K172 WeakPolarHBondContact O-CA 3.29Å; G169-K172 WeakPolarHBondContact O-CB 3.47Å; G169-K172 PolarHBondContact O-N 3.09Å; G169-I173 WeakPolarHBondContact O-CG1 3.31Å; G169-I173 PolarHBondContact O-N 3.02Å
170L59.3Low65.4Low7 Ų745.3 Ų45.34%0.03724%0.242CC..Hα-helixtrans-47-37.8169-59.3-172.9000113.2L59 I72 L75 L98 F168 K172 I173 I174L59-L170 HydrophobicContact CD2-CB 4.46Å; I72-L170 HydrophobicContact CD1-CD1 4.38Å; I72-L170 HydrophobicContact CD1-CD2 4.24Å; I72-L170 HydrophobicContact CG1-CD1 4.18Å; I72-L170 HydrophobicContact CG1-CD2 3.47Å; I72-L170 VanDerWaalsContact CG1-CD2 3.47Å; I72-L170 HydrophobicContact CG1-CG 4.38Å; L75-L170 HydrophobicContact CD1-CD1 3.53Å; L75-L170 HydrophobicContact CD1-CD2 3.64Å; L75-L170 HydrophobicContact CD1-CG 3.86Å; L98-L170 HydrophobicContact CD1-CD1 3.32Å; F168-L170 WeakPolarHBondContact O-CG 3.23Å; F168-L170 PolarHBondContact O-N 3.46Å; L170-K172 VanDerWaalsContact C-N 3.31Å; L170-K172 PolarHBondContact O-N 3.45Å; L170-I173 HydrophobicContact CD2-CD1 3.82Å; L170-I173 PolarHBondContact O-N 3.17Å; L170-I174 WeakPolarHBondContact O-CB 3.28Å; L170-I174 WeakPolarHBondContact O-CD1 3.48Å; L170-I174 WeakPolarHBondContact O-CG1 3.42Å; L170-I174 PolarHBondContact O-N 2.86Å
171S50.2Low62.8Low25 Ų2548 Ų4818%0.17525%0.247CC..Hα-helixtrans-63.3-37.3175.654.70000112.2G169 D175G169-S171 PolarHBondContact O-N 3.15Å; S171-D175 WeakPolarHBondContact O-CB 3.24Å; S171-D175 PolarHBondContact O-N 3.35Å
172K54.1Low60.1Low59 Ų5951.9 Ų51.926%0.25727%0.271SS..Hα-helixtrans-75.3-39.1175.9-67.6-175.3-175.8169.20111.8R145 D146 G169 L170 I174 D175 D176R145-K172 PolarHBondContact O-NZ 3.26Å; D146-K172 WeakPolarHBondContact OD1-CE 3.14Å; D146-K172 IonicContact OD1-NZ 3.7Å; D146-K172 PolarHBondContact OD1-NZ 3.34Å; G169-K172 WeakPolarHBondContact O-CA 3.29Å; G169-K172 WeakPolarHBondContact O-CB 3.47Å; G169-K172 PolarHBondContact O-N 3.09Å; L170-K172 VanDerWaalsContact C-N 3.31Å; L170-K172 PolarHBondContact O-N 3.45Å; K172-I174 VanDerWaalsContact C-N 3.28Å; K172-I174 PolarHBondContact O-N 2.66Å; K172-D175 CarbonylContact O-C 3.55Å; K172-D175 PolarHBondContact O-N 2.85Å; K172-D176 PolarHBondContact O-N 3.16Å
173I53.7Low57.5Low12 Ų1254.7 Ų54.76%0.06229%0.287CS..Hα-helixtrans-59.6-39.9176-62.1158.4000111.5I67 E71 G169 L170 D175I67-I173 HydrophobicContact CB-CG2 4.29Å; I67-I173 HydrophobicContact CG2-CG2 3.68Å; E71-I173 HydrophobicContact CB-CD1 3.97Å; E71-I173 WeakPolarHBondContact OE2-CD1 3.34Å; E71-I173 WeakPolarHBondContact OE2-CG1 3.43Å; G169-I173 WeakPolarHBondContact O-CG1 3.31Å; G169-I173 PolarHBondContact O-N 3.02Å; L170-I173 HydrophobicContact CD2-CD1 3.82Å; L170-I173 PolarHBondContact O-N 3.17Å; I173-D175 VanDerWaalsContact C-N 3.32Å
174I46.3Very low54.6Low9 Ų959.3 Ų59.35%0.04632%0.318CS..Hα-helixtrans-76.7-22.8178-65.3164.2000111.4L59 V68 I96 L170 K172L59-I174 HydrophobicContact CB-CD1 4.17Å; L59-I174 HydrophobicContact CD2-CD1 3.65Å; L59-I174 HydrophobicContact CG-CD1 4.47Å; V68-I174 HydrophobicContact CG1-CG1 4.31Å; V68-I174 HydrophobicContact CG2-CG1 3.76Å; I96-I174 HydrophobicContact CD1-CD1 4.49Å; L170-I174 WeakPolarHBondContact O-CB 3.28Å; L170-I174 WeakPolarHBondContact O-CD1 3.48Å; L170-I174 WeakPolarHBondContact O-CG1 3.42Å; L170-I174 PolarHBondContact O-N 2.86Å; K172-I174 VanDerWaalsContact C-N 3.28Å; K172-I174 PolarHBondContact O-N 2.66Å
175D48.9Very low52.3Low40 Ų4060.4 Ų60.421%0.21433%0.334CS..THydrogen-bonded Turntrans-107.819.8-175.3-154.630.3000113.4S171 K172 I173 Q177 V178S171-D175 WeakPolarHBondContact O-CB 3.24Å; S171-D175 PolarHBondContact O-N 3.35Å; K172-D175 CarbonylContact O-C 3.55Å; K172-D175 PolarHBondContact O-N 2.85Å; I173-D175 VanDerWaalsContact C-N 3.32Å; D175-Q177 PolarHBondContact O-N 3.45Å; D175-V178 VanDerWaalsContact CG-CG2 3.49Å; D175-V178 PolarHBondContact O-N 3.44Å; D175-V178 WeakPolarHBondContact OD1-CG2 3.25Å; D175-V178 WeakPolarHBondContact OD2-CB 3.39Å
176D45.6Very low50.5Low59 Ų5963 Ų6332%0.31635%0.351SS..THydrogen-bonded Turntrans-59.7-3.5-174.3-103.7-3.7000115.1I67 K172 T179I67-D176 HydrophobicContact CD1-CB 4.39Å; K172-D176 PolarHBondContact O-N 3.16Å; D176-T179 PolarHBondContact O-OG1 3.07Å
177Q41.3Very low49.6Very low135 Ų13563.1 Ų63.163%0.63135%0.35SS*.THydrogen-bonded Turntrans-95.2-12.5168-66-174.9-1.100114.2I63 D175 T179I63-Q177 HydrophobicContact CD1-CB 3.53Å; I63-Q177 HydrophobicContact CD1-CG 3.96Å; I63-Q177 HydrophobicContact CG2-CB 4.38Å; I63-Q177 HydrophobicContact CG2-CG 3.63Å; I63-Q177 VanDerWaalsContact CG2-NE2 3.25Å; D175-Q177 PolarHBondContact O-N 3.45Å; Q177-T179 VanDerWaalsContact C-N 3.3Å
178V39Very low49.8Very low43 Ų4361.1 Ų61.126%0.26134%0.34SS..G310 helixtrans-82.3-11.9176.5174.90000112.1D175 M180 K181D175-V178 VanDerWaalsContact CG-CG2 3.49Å; D175-V178 PolarHBondContact O-N 3.44Å; D175-V178 WeakPolarHBondContact OD1-CG2 3.25Å; D175-V178 WeakPolarHBondContact OD2-CB 3.39Å; V178-M180 PolarHBondContact O-N 3.42Å; V178-M180 VanDerWaalsContact O-N 3.09Å; V178-K181 PolarHBondContact O-N 3.31Å
179T39.1Very low50.7Low99 Ų9961 Ų6161%0.60734%0.339SS*.G310 helixtrans-70.1-0.3-178.436.30000116.2D176 Q177D176-T179 PolarHBondContact O-OG1 3.07Å; Q177-T179 VanDerWaalsContact C-N 3.3Å
180M35.9Very low52.2Low179 Ų17961.6 Ų61.688%0.88234%0.343SS*.G310 helixtrans-111-8.5174.8-78.4-149.6-94.400116.6V178V178-M180 PolarHBondContact O-N 3.42Å; V178-M180 VanDerWaalsContact O-N 3.09Å
181K32.5Very low53.7Low199 Ų19961.3 Ų61.387%0.86534%0.342SS*.THydrogen-bonded Turntrans-138.9-10.4-175.7-71-171.7178.9177.30117V178V178-K181 PolarHBondContact O-N 3.31Å
182T38.3Very low55.8Low86 Ų8660.1 Ų60.153%0.52833%0.334SS..  trans-140.3115.6-179.7-300000110.7C184T182-C184 WeakPolarHBondContact CG2-SG 3.14Å; T182-C184 PolarHBondContact O-N 3.37Å
183V40.9Very low57.5Low105 Ų10557.7 Ų57.764%0.63632%0.323SS*.  trans-70.769.6169.6-174.80000108.1G185 P187V183-G185 VanDerWaalsContact C-N 3.31Å; V183-G185 PolarHBondContact O-N 3Å; V183-P187 HydrophobicContact CG1-CB 4.37Å; V183-P187 HydrophobicContact CG1-CG 4.43Å
184C34.4Very low59Low99 Ų9959.2 Ų59.267%0.66933%0.331SS*.  trans-85.976174.9-77.50000108.4T182T182-C184 WeakPolarHBondContact CG2-SG 3.14Å; T182-C184 PolarHBondContact O-N 3.37Å
185G49.4Very low60.9Low40 Ų4060.4 Ų60.441%0.41234%0.337SS..SBendtrans-171.3175.7177.400000111.9V183 P187V183-G185 VanDerWaalsContact C-N 3.31Å; V183-G185 PolarHBondContact O-N 3Å; G185-P187 VanDerWaalsContact O-CD 3.27Å; G185-P187 WeakPolarHBondContact O-CD 3.41Å
186T56.9Low62.6Low58 Ų5863.8 Ų63.836%0.35635%0.347SS..  trans-93.995.2163-550000106G188 Y189T186-G188 PolarHBondContact O-N 3.45Å; T186-Y189 HydrophobicContact CG2-CD2 4.43Å; T186-Y189 HydrophobicContact CG2-CE2 4.07Å
187P68.4Low64.3Low11 Ų1164.2 Ų64.27%0.07137%0.365CS..G310 helixtrans-64.6-13.3-168.427.3-36.6000113.7V183 G185 Y189 C190 M232 I236V183-P187 HydrophobicContact CG1-CB 4.37Å; V183-P187 HydrophobicContact CG1-CG 4.43Å; G185-P187 VanDerWaalsContact O-CD 3.27Å; G185-P187 WeakPolarHBondContact O-CD 3.41Å; P187-Y189 PolarHBondContact O-N 3.1Å; P187-C190 PolarHBondContact O-N 3.05Å; P187-M232 HydrophobicContact CG-CE 3.59Å; P187-I236 HydrophobicContact CB-CD1 4.49Å; P187-I236 WeakPolarHBondContact O-CD1 3.35Å
188G82.6Confident66.2Low3 Ų361.9 Ų61.93%0.03136%0.357CS..G310 helixtrans-55.1-21.5-175.300000116.1T186T186-G188 PolarHBondContact O-N 3.45Å
189Y89.7Confident68.1Low8 Ų864.8 Ų64.83%0.03139%0.385CS..G310 helixtrans-104.9-8.9179.5-52.5-86.1000113.5K148 P149 T186 P187 S208 V211 I212 I215 E221 F302K148-Y189 HydrophobicContact CB-CD1 4.46Å; K148-Y189 HydrophobicContact CB-CD2 4.04Å; K148-Y189 HydrophobicContact CB-CG 4.06Å; P149-Y189 VanDerWaalsContact CD-CZ 3.41Å; P149-Y189 HydrophobicContact CG-CE1 3.81Å; T186-Y189 HydrophobicContact CG2-CD2 4.43Å; T186-Y189 HydrophobicContact CG2-CE2 4.07Å; P187-Y189 PolarHBondContact O-N 3.1Å; Y189-S208 PolarHBondContact O-OG 2.95Å; Y189-V211 HydrophobicContact CD1-CB 4.19Å; Y189-V211 HydrophobicContact CD1-CG1 3.5Å; Y189-V211 HydrophobicContact CE1-CG1 3.71Å; Y189-V211 HydrophobicContact CG-CG1 4.38Å; Y189-I212 HydrophobicContact CD1-CG1 4.41Å; Y189-I215 HydrophobicContact CE1-CD1 3.58Å; Y189-I215 WeakPolarHBondContact OH-CD1 3.4Å; Y189-E221 PolarHBondContact OH-OE1 3.4Å; Y189-F302 WeakPolarHBondContact OH-CZ 3.22Å
190C89.4Confident70.2Confident18 Ų1864.8 Ų64.812%0.12238%0.375CS..SBendtrans-80.3136.9-177.8-70.20000110.6P187 L195 W207P187-C190 PolarHBondContact O-N 3.05Å; C190-L195 HydrophobicContact CB-CD2 3.81Å; C190-L195 HydrophobicContact CB-CG 4.2Å; C190-W207 PolarHBondContact O-NE1 3.37Å
191A91.4Very high72.6Confident1 Ų157.2 Ų57.21%0.00834%0.343CS..  trans-68.8148.2177.900000111.8E193 I194 L195 V204 W207A191-E193 VanDerWaalsContact CB-CD 3.43Å; A191-E193 HydrophobicContact CB-CG 4.23Å; A191-E193 WeakPolarHBondContact CB-OE1 3.5Å; A191-E193 WeakPolarHBondContact CB-OE2 3.49Å; A191-E193 PolarHBondContact O-N 3.13Å; A191-I194 WeakPolarHBondContact O-CB 3.42Å; A191-I194 PolarHBondContact O-N 3.36Å; A191-I194 VanDerWaalsContact O-N 3.07Å; A191-L195 PolarHBondContact O-N 3.29Å; A191-V204 HydrophobicContact CB-CB 4.01Å; A191-V204 HydrophobicContact CB-CG1 4Å; A191-W207 HydrophobicContact CB-CB 3.84Å; A191-W207 HydrophobicContact CB-CD2 4.38Å; A191-W207 HydrophobicContact CB-CG 3.82Å
192P93.3Very high75.3Confident0 Ų050.1 Ų50.10%032%0.317CS..Hα-helixtrans-56.5-35.5-177-26.935.7000114I194 L195 R196 W207 I236 L237 L265P192-I194 PolarHBondContact O-N 2.93Å; P192-L195 PolarHBondContact O-N 3.07Å; P192-R196 WeakPolarHBondContact O-CG 3.45Å; P192-R196 PolarHBondContact O-N 3.14Å; P192-W207 HydrophobicContact CG-CE3 4.35Å; P192-W207 HydrophobicContact CG-CH2 3.53Å; P192-W207 HydrophobicContact CG-CZ2 3.81Å; P192-W207 HydrophobicContact CG-CZ3 3.83Å; P192-I236 HydrophobicContact CG-CG2 4.06Å; P192-I236 WeakPolarHBondContact CG-O 3.37Å; P192-L237 HydrophobicContact CB-CD2 4.41Å; P192-L265 HydrophobicContact CB-CD1 3.82Å; P192-L265 HydrophobicContact CG-CD1 3.85Å
193E89.9Confident78Confident8 Ų848.8 Ų48.84%0.03731%0.305CS..Hα-helixtrans-63.8-35.9177.958.2-87.6-153.200113.1A191 R196 G197 N198 V204 P267 R270A191-E193 VanDerWaalsContact CB-CD 3.43Å; A191-E193 HydrophobicContact CB-CG 4.23Å; A191-E193 WeakPolarHBondContact CB-OE1 3.5Å; A191-E193 WeakPolarHBondContact CB-OE2 3.49Å; A191-E193 PolarHBondContact O-N 3.13Å; E193-R196 PolarHBondContact O-N 3.5Å; E193-G197 PolarHBondContact O-N 3.45Å; E193-N198 HydrophobicContact CB-CB 4.32Å; E193-N198 WeakPolarHBondContact O-CB 3.39Å; E193-N198 PolarHBondContact O-N 3.13Å; E193-V204 HydrophobicContact CG-CG1 3.95Å; E193-P267 HydrophobicContact CB-CG 4.47Å; E193-P267 HydrophobicContact CG-CG 4.18Å; E193-R270 IonicContact OE1-CZ 2.91Å; E193-R270 IonicContact OE1-NH1 2.99Å; E193-R270 PolarHBondContact OE1-NH1 3.04Å; E193-R270 IonicContact OE1-NH2 3.03Å; E193-R270 PolarHBondContact OE1-NH2 3.06Å; E193-R270 IonicContact OE2-NH2 3.04Å; E193-R270 PolarHBondContact OE2-NH2 2.86Å
194I86.3Confident80.5Confident44 Ų4443.8 Ų43.823%0.22628%0.275CS..Hα-helixtrans-65.8-45.4173.4-64.6176.8000109.4A191 P192 R196 G197 Y200 V204A191-I194 WeakPolarHBondContact O-CB 3.42Å; A191-I194 PolarHBondContact O-N 3.36Å; A191-I194 VanDerWaalsContact O-N 3.07Å; P192-I194 PolarHBondContact O-N 2.93Å; I194-R196 VanDerWaalsContact C-N 3.26Å; I194-R196 PolarHBondContact O-N 3.03Å; I194-G197 PolarHBondContact O-N 3.42Å; I194-Y200 HydrophobicContact CG1-CD1 4.07Å; I194-Y200 HydrophobicContact CG1-CG 4.1Å; I194-V204 HydrophobicContact CD1-CB 3.78Å; I194-V204 HydrophobicContact CD1-CG1 3.77Å; I194-V204 HydrophobicContact CD1-CG2 4.12Å; I194-V204 HydrophobicContact CG1-CB 4.39Å; I194-V204 HydrophobicContact CG1-CG1 3.82Å
195L85.5Confident83.4Confident34 Ų3439.1 Ų39.118%0.17824%0.243CC..Hα-helixtrans-66.5-29.7-178.2-60.6-176000112.4C190 A191 P192 G197 Y233 I236 L237C190-L195 HydrophobicContact CB-CD2 3.81Å; C190-L195 HydrophobicContact CB-CG 4.2Å; A191-L195 PolarHBondContact O-N 3.29Å; P192-L195 PolarHBondContact O-N 3.07Å; L195-G197 VanDerWaalsContact C-N 3.27Å; L195-G197 PolarHBondContact O-N 3.32Å; L195-Y233 HydrophobicContact CB-CE2 3.76Å; L195-Y233 WeakPolarHBondContact CB-OH 3.49Å; L195-Y233 HydrophobicContact CD1-CD2 3.89Å; L195-Y233 HydrophobicContact CD1-CE2 3.59Å; L195-Y233 HydrophobicContact CD2-CE2 3.94Å; L195-Y233 HydrophobicContact CG-CE2 3.94Å; L195-Y233 PolarHBondContact O-OH 3.41Å; L195-I236 HydrophobicContact CD1-CB 4.26Å; L195-I236 HydrophobicContact CD1-CD1 4.32Å; L195-I236 HydrophobicContact CD1-CG2 3.57Å; L195-L237 HydrophobicContact CB-CD2 4Å
196R85.2Confident85.7Confident111 Ų11137.3 Ų37.342%0.41922%0.224SC..THydrogen-bonded Turntrans-76.4-11.1172.5-73.4174.6175.7130.93113.9P192 E193 I194 N198 L237P192-R196 WeakPolarHBondContact O-CG 3.45Å; P192-R196 PolarHBondContact O-N 3.14Å; E193-R196 PolarHBondContact O-N 3.5Å; I194-R196 VanDerWaalsContact C-N 3.26Å; I194-R196 PolarHBondContact O-N 3.03Å; R196-N198 PolarHBondContact O-N 3.11Å; R196-L237 HydrophobicContact CG-CD2 3.86Å; R196-L237 PolarHBondContact NH2-O 2.87Å
197G80.8Confident87.7Confident68 Ų6834.6 Ų34.670%0.70121%0.207SC*.THydrogen-bonded Turntrans69.222.5-171.400000113.2E193 I194 L195E193-G197 PolarHBondContact O-N 3.45Å; I194-G197 PolarHBondContact O-N 3.42Å; L195-G197 VanDerWaalsContact C-N 3.27Å; L195-G197 PolarHBondContact O-N 3.32Å
198N82.3Confident89Confident85 Ų8534.3 Ų34.346%0.45521%0.205SC..  trans-76.4160.2176.4-68.4-14.3000110.3E193 R196 Y200E193-N198 HydrophobicContact CB-CB 4.32Å; E193-N198 WeakPolarHBondContact O-CB 3.39Å; E193-N198 PolarHBondContact O-N 3.13Å; R196-N198 PolarHBondContact O-N 3.11Å; N198-Y200 WeakPolarHBondContact O-CD1 3.29Å; N198-Y200 PolarHBondContact O-N 3.12Å
199A77.5Confident89.8Confident104 Ų10434.1 Ų34.186%0.8620%0.204SC*.  trans-58.2139.416400000109.6
200Y82.9Confident90.2Very high100 Ų10033.8 Ų33.839%0.39220%0.202SC..  trans-137.6155.9-176.160.5-98.3000110.7R145 I194 N198 V204R145-Y200 HydrophobicContact CG-CE2 4.24Å; I194-Y200 HydrophobicContact CG1-CD1 4.07Å; I194-Y200 HydrophobicContact CG1-CG 4.1Å; N198-Y200 WeakPolarHBondContact O-CD1 3.29Å; N198-Y200 PolarHBondContact O-N 3.12Å; Y200-V204 HydrophobicContact CD2-CG1 4.1Å; Y200-V204 HydrophobicContact CD2-CG2 4.43Å; Y200-V204 HydrophobicContact CG-CG1 4.14Å
201G86.4Confident90.6Very high20 Ų2033 Ų3321%0.20620%0.197CC..  trans-124.9-164179.400000112.3E203 V204G201-E203 WeakPolarHBondContact CA-OE2 3.39Å; G201-E203 PolarHBondContact O-N 3.3Å; G201-E203 VanDerWaalsContact O-N 3.09Å; G201-V204 WeakPolarHBondContact O-CG2 3.46Å; G201-V204 PolarHBondContact O-N 2.91Å
202P90.4Very high90.9Very high49 Ų4932.9 Ų32.932%0.31820%0.196SC..THydrogen-bonded Turntrans-58.9-18.417923.9-33.3000114.1H138 V143 V204 D205H138-P202 VanDerWaalsContact CE1-CB 3.47Å; H138-P202 WeakPolarHBondContact CE1-CB 3.41Å; H138-P202 PolarHBondContact CE1-O 3.24Å; H138-P202 PolarHBondContact NE2-O 3.37Å; V143-P202 HydrophobicContact CG2-CB 4.08Å; P202-V204 PolarHBondContact O-N 3.02Å; P202-V204 VanDerWaalsContact O-N 3.14Å; P202-D205 PolarHBondContact O-N 2.87Å; P202-D205 VanDerWaalsContact O-N 3.15Å
203E94.8Very high91.1Very high58 Ų5832.9 Ų32.927%0.27120%0.196SC..Hα-helixtrans-60.1-25.1-179-56.874.9-16200112.3G201 D205 M206 W207 P267 R270G201-E203 WeakPolarHBondContact CA-OE2 3.39Å; G201-E203 PolarHBondContact O-N 3.3Å; G201-E203 VanDerWaalsContact O-N 3.09Å; E203-D205 VanDerWaalsContact C-N 3.25Å; E203-D205 PolarHBondContact O-N 3.11Å; E203-M206 WeakPolarHBondContact O-CB 3.31Å; E203-M206 PolarHBondContact O-N 2.86Å; E203-W207 PolarHBondContact O-N 3.01Å; E203-P267 HydrophobicContact CB-CB 3.96Å; E203-P267 HydrophobicContact CG-CB 4.24Å; E203-R270 VanDerWaalsContact C-NH1 3.27Å; E203-R270 WeakPolarHBondContact O-CD 3.45Å; E203-R270 PolarHBondContact O-NH1 3.49Å
204V93.4Very high91.5Very high1 Ų132.6 Ų32.61%0.00620%0.195CC..Hα-helixtrans-61.5-34178-58.50000112.6V143 A191 E193 I194 Y200 G201 P202 M206 W207 S208V143-V204 HydrophobicContact CG1-CG2 3.73Å; A191-V204 HydrophobicContact CB-CB 4.01Å; A191-V204 HydrophobicContact CB-CG1 4Å; E193-V204 HydrophobicContact CG-CG1 3.95Å; I194-V204 HydrophobicContact CD1-CB 3.78Å; I194-V204 HydrophobicContact CD1-CG1 3.77Å; I194-V204 HydrophobicContact CD1-CG2 4.12Å; I194-V204 HydrophobicContact CG1-CB 4.39Å; I194-V204 HydrophobicContact CG1-CG1 3.82Å; Y200-V204 HydrophobicContact CD2-CG1 4.1Å; Y200-V204 HydrophobicContact CD2-CG2 4.43Å; Y200-V204 HydrophobicContact CG-CG1 4.14Å; G201-V204 WeakPolarHBondContact O-CG2 3.46Å; G201-V204 PolarHBondContact O-N 2.91Å; P202-V204 PolarHBondContact O-N 3.02Å; P202-V204 VanDerWaalsContact O-N 3.14Å; V204-M206 VanDerWaalsContact C-N 3.29Å; V204-M206 PolarHBondContact O-N 2.9Å; V204-W207 WeakPolarHBondContact O-CB 3.43Å; V204-W207 PolarHBondContact O-N 3.48Å; V204-S208 PolarHBondContact O-N 3.13Å; V204-S208 PolarHBondContact O-OG 2.82Å
205D94.8Very high91.9Very high0 Ų030.5 Ų30.50%018%0.184CC..Hα-helixtrans-68.1-35.5176.6-68.9-23.2000110.3V134 H138 V143 H144 R145 L147 P202 E203 W207 S208 V209V134-D205 HydrophobicContact CG1-CB 4.27Å; H138-D205 IonicContact CD2-OD2 3.53Å; H138-D205 IonicContact CE1-OD2 3.69Å; H138-D205 IonicContact NE2-OD2 3.75Å; H138-D205 PolarHBondContact NE2-OD2 3.43Å; V143-D205 WeakPolarHBondContact CG1-OD2 3.38Å; H144-D205 WeakPolarHBondContact CB-OD1 3.17Å; H144-D205 PolarHBondContact N-OD1 2.76Å; H144-D205 PolarHBondContact N-OD2 3.2Å; R145-D205 PolarHBondContact N-OD1 3.17Å; L147-D205 HydrophobicContact CD1-CB 3.8Å; P202-D205 PolarHBondContact O-N 2.87Å; P202-D205 VanDerWaalsContact O-N 3.15Å; E203-D205 VanDerWaalsContact C-N 3.25Å; E203-D205 PolarHBondContact O-N 3.11Å; D205-W207 VanDerWaalsContact C-N 3.31Å; D205-W207 PolarHBondContact O-N 3.47Å; D205-S208 WeakPolarHBondContact O-CB 3.41Å; D205-S208 PolarHBondContact O-N 2.73Å; D205-V209 WeakPolarHBondContact O-CG2 3.35Å; D205-V209 PolarHBondContact O-N 3.19Å
206M98.4Very high92.4Very high3 Ų328.9 Ų28.92%0.01518%0.176CC..Hα-helixtrans-66.3-33.5178.5-57.2-54.3-56.900112.1L131 V134 E203 V204 V209 G210 L262 R270 L271 V273 A276L131-M206 HydrophobicContact CD2-CE 3.6Å; L131-M206 HydrophobicContact CD2-SD 4.37Å; V134-M206 HydrophobicContact CG1-SD 4.14Å; E203-M206 WeakPolarHBondContact O-CB 3.31Å; E203-M206 PolarHBondContact O-N 2.86Å; V204-M206 VanDerWaalsContact C-N 3.29Å; V204-M206 PolarHBondContact O-N 2.9Å; M206-V209 PolarHBondContact O-N 3.12Å; M206-G210 PolarHBondContact O-N 3.14Å; M206-L262 HydrophobicContact CB-CD2 4.25Å; M206-L262 HydrophobicContact CE-CD2 3.49Å; M206-L262 VanDerWaalsContact CE-CD2 3.49Å; M206-R270 HydrophobicContact CB-CG 4.2Å; M206-L271 WeakPolarHBondContact CG-O 3.25Å; M206-V273 HydrophobicContact CE-CB 4.24Å; M206-V273 HydrophobicContact SD-CB 3.68Å; M206-V273 HydrophobicContact SD-CG2 4.11Å; M206-A276 HydrophobicContact CE-CB 3.81Å
207W98Very high92.9Very high0 Ų023.6 Ų23.60%016%0.156CC..Hα-helixtrans-62-50170.3174.9-84.7000111C190 A191 P192 E203 V204 D205 V209 G210 V211 F223 I236 C239 I263C190-W207 PolarHBondContact O-NE1 3.37Å; A191-W207 HydrophobicContact CB-CB 3.84Å; A191-W207 HydrophobicContact CB-CD2 4.38Å; A191-W207 HydrophobicContact CB-CG 3.82Å; P192-W207 HydrophobicContact CG-CE3 4.35Å; P192-W207 HydrophobicContact CG-CH2 3.53Å; P192-W207 HydrophobicContact CG-CZ2 3.81Å; P192-W207 HydrophobicContact CG-CZ3 3.83Å; E203-W207 PolarHBondContact O-N 3.01Å; V204-W207 WeakPolarHBondContact O-CB 3.43Å; V204-W207 PolarHBondContact O-N 3.48Å; D205-W207 VanDerWaalsContact C-N 3.31Å; D205-W207 PolarHBondContact O-N 3.47Å; W207-V209 VanDerWaalsContact C-N 3.3Å; W207-V209 PolarHBondContact O-N 3.16Å; W207-G210 WeakPolarHBondContact O-CA 3.39Å; W207-G210 PolarHBondContact O-N 3.26Å; W207-V211 PolarHBondContact O-N 3.02Å; W207-F223 HydrophobicContact CH2-CE1 4.46Å; W207-F223 HydrophobicContact CH2-CE2 4.12Å; W207-F223 AromaticContact CH2-CZ 3.6Å; W207-F223 HydrophobicContact CH2-CZ 3.6Å; W207-F223 HydrophobicContact CZ2-CD2 4.42Å; W207-F223 HydrophobicContact CZ2-CE1 4.36Å; W207-F223 AromaticContact CZ2-CE2 3.36Å; W207-F223 HydrophobicContact CZ2-CE2 3.36Å; W207-F223 AromaticContact CZ2-CZ 3.32Å; W207-F223 HydrophobicContact CZ2-CZ 3.32Å; W207-I236 HydrophobicContact CZ2-CG2 4.02Å; W207-C239 HydrophobicContact CH2-CB 4.3Å; W207-I263 HydrophobicContact CE3-CG2 4.1Å; W207-I263 HydrophobicContact CH2-CG2 3.66Å; W207-I263 HydrophobicContact CZ2-CG2 4.08Å; W207-I263 HydrophobicContact CZ3-CG2 3.67Å
208S96.8Very high93.5Very high5 Ų520.4 Ų20.44%0.03512%0.122CC..Hα-helixtrans-60.1-40178.8-55.10000111.8Y189 V204 D205 G210 V211 I212Y189-S208 PolarHBondContact O-OG 2.95Å; V204-S208 PolarHBondContact O-N 3.13Å; V204-S208 PolarHBondContact O-OG 2.82Å; D205-S208 WeakPolarHBondContact O-CB 3.41Å; D205-S208 PolarHBondContact O-N 2.73Å; S208-G210 VanDerWaalsContact C-N 3.32Å; S208-G210 PolarHBondContact O-N 2.91Å; S208-V211 PolarHBondContact O-N 3.16Å; S208-I212 WeakPolarHBondContact O-CD1 3.23Å; S208-I212 VanDerWaalsContact O-CG1 3.29Å; S208-I212 WeakPolarHBondContact O-CG1 3.47Å; S208-I212 PolarHBondContact O-N 2.8Å
209V98.2Very high94Very high0 Ų016.4 Ų16.40%010%0.102CC..Hα-helixtrans-60-41.9172.4174.60000111.2I127 I130 L131 V134 L147 D205 M206 W207 I212 L213 L262I127-V209 HydrophobicContact CD1-CG1 4.26Å; I130-V209 HydrophobicContact CG2-CG2 3.81Å; L131-V209 HydrophobicContact CD2-CG1 4.03Å; L131-V209 HydrophobicContact CG-CG1 4.41Å; V134-V209 HydrophobicContact CG2-CG2 4.45Å; L147-V209 HydrophobicContact CD1-CG2 4Å; D205-V209 WeakPolarHBondContact O-CG2 3.35Å; D205-V209 PolarHBondContact O-N 3.19Å; M206-V209 PolarHBondContact O-N 3.12Å; W207-V209 VanDerWaalsContact C-N 3.3Å; W207-V209 PolarHBondContact O-N 3.16Å; V209-I212 PolarHBondContact O-N 3.38Å; V209-L213 WeakPolarHBondContact O-CB 3.5Å; V209-L213 PolarHBondContact O-N 2.95Å; V209-L262 HydrophobicContact CG1-CD1 4.26Å
210G98.4Very high94.6Very high0 Ų014.1 Ų14.10%07%0.072CC..Hα-helixtrans-59.5-45.4174.100000112.9M206 W207 S208 L213 Y214M206-G210 PolarHBondContact O-N 3.14Å; W207-G210 WeakPolarHBondContact O-CA 3.39Å; W207-G210 PolarHBondContact O-N 3.26Å; S208-G210 VanDerWaalsContact C-N 3.32Å; S208-G210 PolarHBondContact O-N 2.91Å; G210-L213 PolarHBondContact O-N 3.16Å; G210-Y214 WeakPolarHBondContact O-CB 3.42Å; G210-Y214 PolarHBondContact O-N 2.96Å
211V97.9Very high95.1Very high1 Ų110.4 Ų10.41%0.0066%0.059CC..Hα-helixtrans-62.2-44.8175.8175.90000111.4Y189 W207 S208 Y214 I215 P222 F223 I263Y189-V211 HydrophobicContact CD1-CB 4.19Å; Y189-V211 HydrophobicContact CD1-CG1 3.5Å; Y189-V211 HydrophobicContact CE1-CG1 3.71Å; Y189-V211 HydrophobicContact CG-CG1 4.38Å; W207-V211 PolarHBondContact O-N 3.02Å; S208-V211 PolarHBondContact O-N 3.16Å; V211-Y214 PolarHBondContact O-N 3.26Å; V211-I215 HydrophobicContact CG1-CD1 4.1Å; V211-I215 WeakPolarHBondContact O-CG1 3.36Å; V211-I215 PolarHBondContact O-N 3.17Å; V211-I215 VanDerWaalsContact O-N 3.1Å; V211-P222 HydrophobicContact CB-CG 4.46Å; V211-P222 HydrophobicContact CG1-CG 4.02Å; V211-P222 HydrophobicContact CG2-CG 4.24Å; V211-F223 HydrophobicContact CG2-CE2 4.05Å; V211-I263 HydrophobicContact CG2-CD1 4.43Å
212I97.1Very high95.5Very high0 Ų09.7 Ų9.70%05%0.05CC..Hα-helixtrans-61.3-45.5176.7-68.8156.7000110.5I127 I130 L147 L152 Y189 S208 V209 Y214 I215 L216I127-I212 HydrophobicContact CD1-CG2 4.35Å; I130-I212 HydrophobicContact CD1-CG2 4.23Å; L147-I212 HydrophobicContact CB-CD1 4.29Å; L152-I212 HydrophobicContact CD1-CD1 4.06Å; L152-I212 HydrophobicContact CD1-CG2 4.06Å; Y189-I212 HydrophobicContact CD1-CG1 4.41Å; S208-I212 WeakPolarHBondContact O-CD1 3.23Å; S208-I212 VanDerWaalsContact O-CG1 3.29Å; S208-I212 WeakPolarHBondContact O-CG1 3.47Å; S208-I212 PolarHBondContact O-N 2.8Å; V209-I212 PolarHBondContact O-N 3.38Å; I212-Y214 PolarHBondContact O-N 2.92Å; I212-I215 PolarHBondContact O-N 3.47Å; I212-L216 HydrophobicContact CG2-CD1 3.98Å; I212-L216 HydrophobicContact CG2-CG 4.34Å; I212-L216 WeakPolarHBondContact O-CG 3.45Å; I212-L216 PolarHBondContact O-N 3.42Å
213L98.1Very high95.8Very high0 Ų07.5 Ų7.50%04%0.036CC..Hα-helixtrans-59.4-45.4176.4172.462.3000111.7I127 V209 G210 I215 L216 L217 L258 V259 L262 W281I127-L213 HydrophobicContact CD1-CB 3.77Å; I127-L213 HydrophobicContact CD1-CD1 4.31Å; I127-L213 HydrophobicContact CG1-CB 4.3Å; I127-L213 HydrophobicContact CG1-CD1 3.88Å; V209-L213 WeakPolarHBondContact O-CB 3.5Å; V209-L213 PolarHBondContact O-N 2.95Å; G210-L213 PolarHBondContact O-N 3.16Å; L213-I215 VanDerWaalsContact C-N 3.31Å; L213-I215 PolarHBondContact O-N 2.94Å; L213-L216 PolarHBondContact O-N 2.69Å; L213-L217 HydrophobicContact CD1-CD1 3.72Å; L213-L217 HydrophobicContact CD1-CG 3.97Å; L213-L217 HydrophobicContact CG-CD1 3.93Å; L213-L217 VanDerWaalsContact O-CG 3.31Å; L213-L217 WeakPolarHBondContact O-CG 3.46Å; L213-L217 PolarHBondContact O-N 3.27Å; L213-L217 VanDerWaalsContact O-N 3.09Å; L213-L258 HydrophobicContact CD2-CB 4.14Å; L213-L258 HydrophobicContact CD2-CD2 3.6Å; L213-L258 HydrophobicContact CD2-CG 3.63Å; L213-V259 HydrophobicContact CB-CG2 4.47Å; L213-V259 HydrophobicContact CD2-CG2 3.5Å; L213-V259 VanDerWaalsContact CD2-CG2 3.5Å; L213-V259 HydrophobicContact CG-CG2 3.62Å; L213-L262 HydrophobicContact CD2-CD1 4.14Å; L213-W281 HydrophobicContact CD1-CE3 4.42Å; L213-W281 HydrophobicContact CD1-CH2 3.42Å; L213-W281 VanDerWaalsContact CD1-CH2 3.42Å; L213-W281 HydrophobicContact CD1-CZ2 4.34Å; L213-W281 HydrophobicContact CD1-CZ3 3.47Å; L213-W281 VanDerWaalsContact CD1-CZ3 3.47Å
214Y98.1Very high95.6Very high2 Ų27.7 Ų7.71%0.0084%0.036CC..Hα-helixtrans-55.4-49176.9-176.3-75.4000110.7G210 V211 I212 L216 L217 C218 F220 P222 Y241 E242 F243 W248 V259G210-Y214 WeakPolarHBondContact O-CB 3.42Å; G210-Y214 PolarHBondContact O-N 2.96Å; V211-Y214 PolarHBondContact O-N 3.26Å; I212-Y214 PolarHBondContact O-N 2.92Å; Y214-L216 PolarHBondContact O-N 2.87Å; Y214-L217 PolarHBondContact O-N 3.38Å; Y214-L217 VanDerWaalsContact O-N 3.15Å; Y214-C218 WeakPolarHBondContact CE1-SG 3.41Å; Y214-C218 PolarHBondContact O-N 2.87Å; Y214-C218 PolarHBondContact O-SG 3.44Å; Y214-C218 VanDerWaalsContact O-SG 3.35Å; Y214-F220 VanDerWaalsContact CD1-O 3.25Å; Y214-F220 WeakPolarHBondContact CD1-O 3.48Å; Y214-F220 HydrophobicContact CE1-CD2 4.01Å; Y214-F220 AromaticContact CE1-CE2 3.93Å; Y214-F220 HydrophobicContact CE1-CE2 3.93Å; Y214-F220 VanDerWaalsContact CE1-O 3.3Å; Y214-F220 WeakPolarHBondContact CE1-O 3.45Å; Y214-F220 VanDerWaalsContact OH-CE2 3.3Å; Y214-F220 WeakPolarHBondContact OH-CE2 3.43Å; Y214-P222 HydrophobicContact CD1-CB 3.73Å; Y214-P222 HydrophobicContact CD1-CG 4.02Å; Y214-P222 HydrophobicContact CD2-CB 3.86Å; Y214-P222 HydrophobicContact CE1-CB 3.86Å; Y214-P222 HydrophobicContact CE2-CB 4.02Å; Y214-P222 HydrophobicContact CG-CB 3.75Å; Y214-P222 HydrophobicContact CG-CG 4.04Å; Y214-Y241 HydrophobicContact CD2-CD2 4.15Å; Y214-Y241 HydrophobicContact CD2-CE2 4.45Å; Y214-Y241 AromaticContact CE2-CD2 3.87Å; Y214-Y241 HydrophobicContact CE2-CD2 3.87Å; Y214-Y241 HydrophobicContact CE2-CE2 4.43Å; Y214-E242 PolarHBondContact OH-O 3.05Å; Y214-F243 HydrophobicContact CD2-CE1 4.41Å; Y214-F243 HydrophobicContact CE2-CD1 4.16Å; Y214-F243 HydrophobicContact CE2-CE1 4.34Å; Y214-W248 HydrophobicContact CD1-CZ2 4.08Å; Y214-W248 AromaticContact CD2-CH2 3.91Å; Y214-W248 HydrophobicContact CD2-CH2 3.91Å; Y214-W248 AromaticContact CD2-CZ2 3.34Å; Y214-W248 HydrophobicContact CD2-CZ2 3.34Å; Y214-W248 HydrophobicContact CE1-CZ2 4.08Å; Y214-W248 AromaticContact CE2-CE2 3.68Å; Y214-W248 HydrophobicContact CE2-CH2 4.2Å; Y214-W248 AromaticContact CE2-CZ2 3.31Å; Y214-W248 HydrophobicContact CE2-CZ2 3.31Å; Y214-W248 AromaticContact CE2-NE1 3.74Å; Y214-W248 HydrophobicContact CG-CH2 4.33Å; Y214-W248 AromaticContact CG-CZ2 3.71Å; Y214-W248 HydrophobicContact CG-CZ2 3.71Å; Y214-W248 AromaticContact CZ-CE2 3.8Å; Y214-W248 AromaticContact CZ-CZ2 3.69Å; Y214-W248 AromaticContact CZ-NE1 3.42Å; Y214-W248 PolarHBondContact OH-NE1 3.37Å; Y214-V259 HydrophobicContact CD2-CG1 4.04Å
215I95.9Very high95.4Very high0 Ų08.1 Ų8.10%04%0.038CC..Hα-helixtrans-63.7-43.2179.1-60.6161.8000110.4F109 Y189 V211 I212 L213 L217 C218 G219 F220 E221 L299 F302F109-I215 HydrophobicContact CE1-CB 4.42Å; F109-I215 HydrophobicContact CE1-CG2 3.61Å; F109-I215 HydrophobicContact CZ-CB 4.44Å; F109-I215 HydrophobicContact CZ-CG2 3.98Å; Y189-I215 HydrophobicContact CE1-CD1 3.58Å; Y189-I215 WeakPolarHBondContact OH-CD1 3.4Å; V211-I215 HydrophobicContact CG1-CD1 4.1Å; V211-I215 WeakPolarHBondContact O-CG1 3.36Å; V211-I215 PolarHBondContact O-N 3.17Å; V211-I215 VanDerWaalsContact O-N 3.1Å; I212-I215 PolarHBondContact O-N 3.47Å; L213-I215 VanDerWaalsContact C-N 3.31Å; L213-I215 PolarHBondContact O-N 2.94Å; I215-L217 PolarHBondContact O-N 3.04Å; I215-L217 VanDerWaalsContact O-N 3.15Å; I215-C218 PolarHBondContact O-N 3.17Å; I215-G219 WeakPolarHBondContact O-CA 3.43Å; I215-G219 PolarHBondContact O-N 3.38Å; I215-F220 WeakPolarHBondContact CG1-O 3.17Å; I215-E221 HydrophobicContact CD1-CG 4.06Å; I215-E221 HydrophobicContact CG1-CG 4.41Å; I215-L299 HydrophobicContact CG2-CD2 4.03Å; I215-L299 WeakPolarHBondContact O-CD2 3.42Å; I215-F302 HydrophobicContact CD1-CE2 4.35Å; I215-F302 HydrophobicContact CD1-CZ 4.11Å; I215-F302 HydrophobicContact CG2-CD1 4.02Å; I215-F302 HydrophobicContact CG2-CE1 3.89Å; I215-F302 HydrophobicContact CG2-CE2 4.41Å; I215-F302 HydrophobicContact CG2-CG 4.34Å; I215-F302 HydrophobicContact CG2-CZ 4.09Å
216L95.8Very high95Very high0 Ų013.4 Ų13.40%07%0.073CC..Hα-helixtrans-59-25.8177.4-75.5174000113.2L108 F109 I112 Y118 A123 V126 I127 I212 L213 Y214L108-L216 HydrophobicContact CD2-CD2 4.23Å; F109-L216 HydrophobicContact CE1-CD2 3.91Å; F109-L216 HydrophobicContact CE1-CG 4.45Å; F109-L216 HydrophobicContact CZ-CD2 4.13Å; F109-L216 HydrophobicContact CZ-CG 4.4Å; I112-L216 HydrophobicContact CD1-CD2 3.4Å; Y118-L216 VanDerWaalsContact CE1-O 3.22Å; Y118-L216 WeakPolarHBondContact CE1-O 2.97Å; Y118-L216 WeakPolarHBondContact OH-CB 3.39Å; Y118-L216 WeakPolarHBondContact OH-CD2 3.29Å; Y118-L216 PolarHBondContact OH-O 2.73Å; A123-L216 HydrophobicContact CB-CB 4.36Å; V126-L216 HydrophobicContact CB-CD1 4.49Å; V126-L216 HydrophobicContact CG1-CD1 3.8Å; I127-L216 HydrophobicContact CD1-CD1 3.89Å; I127-L216 HydrophobicContact CG1-CD1 3.91Å; I212-L216 HydrophobicContact CG2-CD1 3.98Å; I212-L216 HydrophobicContact CG2-CG 4.34Å; I212-L216 WeakPolarHBondContact O-CG 3.45Å; I212-L216 PolarHBondContact O-N 3.42Å; L213-L216 PolarHBondContact O-N 2.69Å; Y214-L216 PolarHBondContact O-N 2.87Å
217L96.3Very high94.5Very high0 Ų021.1 Ų21.10%010%0.102CC..Hα-helixtrans-92.2-26.6-177-70171.7000114.4E120 A123 L213 Y214 I215 W248 V251 A255 V259 W281 M292 T295E120-L217 HydrophobicContact CG-CD2 3.93Å; A123-L217 HydrophobicContact CB-CD2 4.49Å; L213-L217 HydrophobicContact CD1-CD1 3.72Å; L213-L217 HydrophobicContact CD1-CG 3.97Å; L213-L217 HydrophobicContact CG-CD1 3.93Å; L213-L217 VanDerWaalsContact O-CG 3.31Å; L213-L217 WeakPolarHBondContact O-CG 3.46Å; L213-L217 PolarHBondContact O-N 3.27Å; L213-L217 VanDerWaalsContact O-N 3.09Å; Y214-L217 PolarHBondContact O-N 3.38Å; Y214-L217 VanDerWaalsContact O-N 3.15Å; I215-L217 PolarHBondContact O-N 3.04Å; I215-L217 VanDerWaalsContact O-N 3.15Å; L217-W248 HydrophobicContact CB-CH2 3.74Å; L217-W248 HydrophobicContact CB-CZ2 4.2Å; L217-W248 HydrophobicContact CB-CZ3 4.18Å; L217-W248 HydrophobicContact CD1-CH2 3.64Å; L217-W248 HydrophobicContact CD1-CZ3 3.8Å; L217-W248 HydrophobicContact CG-CH2 4.37Å; L217-V251 HydrophobicContact CB-CG1 4.44Å; L217-V251 HydrophobicContact CD1-CG1 4.19Å; L217-V251 HydrophobicContact CD2-CG1 4.23Å; L217-A255 HydrophobicContact CD1-CB 3.82Å; L217-A255 HydrophobicContact CD2-CB 4.22Å; L217-V259 HydrophobicContact CD1-CG2 3.95Å; L217-W281 HydrophobicContact CD2-CH2 4.27Å; L217-W281 HydrophobicContact CD2-CZ2 3.79Å; L217-M292 WeakPolarHBondContact O-CE 3.3Å; L217-T295 WeakPolarHBondContact O-CG2 3.14Å; L217-T295 PolarHBondContact O-OG1 3.38Å
218C93.4Very high93.9Very high0 Ų022.5 Ų22.50%012%0.115CC..Hα-helixtrans-132.5-11-176.573.90000114.9Y214 I215 F220 W247 W248 K298Y214-C218 WeakPolarHBondContact CE1-SG 3.41Å; Y214-C218 PolarHBondContact O-N 2.87Å; Y214-C218 PolarHBondContact O-SG 3.44Å; Y214-C218 VanDerWaalsContact O-SG 3.35Å; I215-C218 PolarHBondContact O-N 3.17Å; C218-F220 HydrophobicContact CB-CD1 4.14Å; C218-F220 HydrophobicContact CB-CE1 3.66Å; C218-F220 HydrophobicContact CB-CZ 4.07Å; C218-F220 VanDerWaalsContact O-CD1 3.3Å; C218-F220 WeakPolarHBondContact O-CD1 3.33Å; C218-F220 VanDerWaalsContact SG-CD1 3.59Å; C218-F220 WeakPolarHBondContact SG-CE1 3.45Å; C218-F220 VanDerWaalsContact SG-CZ 3.59Å; C218-W247 HydrophobicContact CB-CB 4.31Å; C218-W248 HydrophobicContact CB-CZ2 4.07Å; C218-K298 WeakPolarHBondContact O-CB 3.44Å
219G91.6Very high93.3Very high2 Ų227.6 Ų27.62%0.02114%0.142CC..SBendtrans81.714.7175.600000115.7I215 K298 F302I215-G219 WeakPolarHBondContact O-CA 3.43Å; I215-G219 PolarHBondContact O-N 3.38Å; G219-K298 CarbonylContact O-C 3.54Å; G219-K298 VanDerWaalsContact O-O 3.14Å; G219-F302 VanDerWaalsContact O-CB 3.29Å; G219-F302 WeakPolarHBondContact O-CB 3.44Å
220F90.5Very high92.7Very high55 Ų5535.5 Ų35.524%0.24118%0.179CC..SBendtrans-144.1160.217555.9-90.9000112.1Y214 I215 C218 W247Y214-F220 VanDerWaalsContact CD1-O 3.25Å; Y214-F220 WeakPolarHBondContact CD1-O 3.48Å; Y214-F220 HydrophobicContact CE1-CD2 4.01Å; Y214-F220 AromaticContact CE1-CE2 3.93Å; Y214-F220 HydrophobicContact CE1-CE2 3.93Å; Y214-F220 VanDerWaalsContact CE1-O 3.3Å; Y214-F220 WeakPolarHBondContact CE1-O 3.45Å; Y214-F220 VanDerWaalsContact OH-CE2 3.3Å; Y214-F220 WeakPolarHBondContact OH-CE2 3.43Å; I215-F220 WeakPolarHBondContact CG1-O 3.17Å; C218-F220 HydrophobicContact CB-CD1 4.14Å; C218-F220 HydrophobicContact CB-CE1 3.66Å; C218-F220 HydrophobicContact CB-CZ 4.07Å; C218-F220 VanDerWaalsContact O-CD1 3.3Å; C218-F220 WeakPolarHBondContact O-CD1 3.33Å; C218-F220 VanDerWaalsContact SG-CD1 3.59Å; C218-F220 WeakPolarHBondContact SG-CE1 3.45Å; C218-F220 VanDerWaalsContact SG-CZ 3.59Å; F220-W247 HydrophobicContact CE1-CB 3.74Å; F220-W247 AromaticContact CE1-CD1 3.98Å; F220-W247 AromaticContact CE1-CD2 3.95Å; F220-W247 HydrophobicContact CE1-CD2 3.95Å; F220-W247 HydrophobicContact CE1-CE3 4.46Å; F220-W247 AromaticContact CE1-CG 3.6Å; F220-W247 HydrophobicContact CE1-CG 3.6Å; F220-W247 HydrophobicContact CZ-CB 4.09Å; F220-W247 HydrophobicContact CZ-CD2 4.23Å; F220-W247 HydrophobicContact CZ-CE3 4.3Å; F220-W247 HydrophobicContact CZ-CG 4.16Å
221E92.9Very high92.4Very high22 Ų2240.4 Ų40.410%0.10320%0.199CC..  trans-74.2138.9-176.3-59.1170.6110.600111.2Y189 I215 F223 F224 F302Y189-E221 PolarHBondContact OH-OE1 3.4Å; I215-E221 HydrophobicContact CD1-CG 4.06Å; I215-E221 HydrophobicContact CG1-CG 4.41Å; E221-F223 VanDerWaalsContact C-N 3.32Å; E221-F223 PolarHBondContact O-N 3.3Å; E221-F224 HydrophobicContact CB-CB 4.06Å; E221-F224 PolarHBondContact O-N 3.49Å; E221-F302 HydrophobicContact CG-CD2 4.16Å; E221-F302 HydrophobicContact CG-CE2 3.58Å
222P95.9Very high92Very high5 Ų540.9 Ų40.93%0.03220%0.201CC..THydrogen-bonded Turntrans-65.5-32.9-176.721.4-29.8000113.6V211 Y214 Y241 I263V211-P222 HydrophobicContact CB-CG 4.46Å; V211-P222 HydrophobicContact CG1-CG 4.02Å; V211-P222 HydrophobicContact CG2-CG 4.24Å; Y214-P222 HydrophobicContact CD1-CB 3.73Å; Y214-P222 HydrophobicContact CD1-CG 4.02Å; Y214-P222 HydrophobicContact CD2-CB 3.86Å; Y214-P222 HydrophobicContact CE1-CB 3.86Å; Y214-P222 HydrophobicContact CE2-CB 4.02Å; Y214-P222 HydrophobicContact CG-CB 3.75Å; Y214-P222 HydrophobicContact CG-CG 4.04Å; P222-Y241 HydrophobicContact CB-CD2 4.48Å; P222-Y241 HydrophobicContact CB-CG 4.27Å; P222-I263 HydrophobicContact CG-CD1 4.37Å
223F95.6Very high91.7Very high3 Ų344.2 Ų44.21%0.01321%0.214CC..THydrogen-bonded Turntrans-104.97.3-174.4-55.2-67.4000113.6W207 V211 E221 D225 M232 R235 I236 D240 Y241 I263W207-F223 HydrophobicContact CH2-CE1 4.46Å; W207-F223 HydrophobicContact CH2-CE2 4.12Å; W207-F223 AromaticContact CH2-CZ 3.6Å; W207-F223 HydrophobicContact CH2-CZ 3.6Å; W207-F223 HydrophobicContact CZ2-CD2 4.42Å; W207-F223 HydrophobicContact CZ2-CE1 4.36Å; W207-F223 AromaticContact CZ2-CE2 3.36Å; W207-F223 HydrophobicContact CZ2-CE2 3.36Å; W207-F223 AromaticContact CZ2-CZ 3.32Å; W207-F223 HydrophobicContact CZ2-CZ 3.32Å; V211-F223 HydrophobicContact CG2-CE2 4.05Å; E221-F223 VanDerWaalsContact C-N 3.32Å; E221-F223 PolarHBondContact O-N 3.3Å; F223-D225 PolarHBondContact O-N 3.04Å; F223-M232 HydrophobicContact CB-CG 4.24Å; F223-M232 WeakPolarHBondContact O-CA 3.5Å; F223-M232 WeakPolarHBondContact O-CB 3.41Å; F223-M232 VanDerWaalsContact O-CG 3.23Å; F223-M232 WeakPolarHBondContact O-CG 3.33Å; F223-R235 HydrophobicContact CB-CB 4.34Å; F223-R235 HydrophobicContact CD1-CB 4.1Å; F223-I236 HydrophobicContact CB-CD1 4.43Å; F223-I236 HydrophobicContact CB-CG1 3.65Å; F223-I236 HydrophobicContact CD1-CG1 4.19Å; F223-I236 HydrophobicContact CD2-CG1 3.72Å; F223-I236 HydrophobicContact CE2-CG1 4.44Å; F223-I236 HydrophobicContact CG-CG1 3.57Å; F223-D240 WeakPolarHBondContact CD1-O 3.33Å; F223-Y241 HydrophobicContact CE1-CD1 4Å; F223-Y241 HydrophobicContact CE1-CG 4.33Å; F223-Y241 HydrophobicContact CZ-CD1 4.11Å; F223-I263 HydrophobicContact CE2-CG2 4.19Å; F223-I263 HydrophobicContact CZ-CG2 3.58Å
224F90.6Very high91.4Very high62 Ų6247 Ų4727%0.27223%0.233SC..  trans-59135.8-179.6173.7-104.1000110.9E221 P226 R305E221-F224 HydrophobicContact CB-CB 4.06Å; E221-F224 PolarHBondContact O-N 3.49Å; F224-P226 HydrophobicContact CE1-CB 4.26Å; F224-P226 HydrophobicContact CZ-CB 4.24Å; F224-R305 VanDerWaalsContact CE2-CZ 3.47Å
225D89.3Confident91.3Very high11 Ų1149.2 Ų49.26%0.05924%0.241CC..  trans-133.5124.8174.3-163-58.7000110.2F223 R227 G228 Y231 M232F223-D225 PolarHBondContact O-N 3.04Å; D225-R227 PolarHBondContact O-N 3.03Å; D225-R227 WeakPolarHBondContact OD1-CB 3.36Å; D225-R227 WeakPolarHBondContact OD1-CG 3.38Å; D225-R227 IonicContact OD1-CZ 3.67Å; D225-R227 PolarHBondContact OD1-N 3.43Å; D225-R227 IonicContact OD1-NE 2.82Å; D225-R227 PolarHBondContact OD1-NE 3.31Å; D225-R227 IonicContact OD1-NH2 3.22Å; D225-R227 IonicContact OD2-CZ 2.68Å; D225-R227 IonicContact OD2-NE 2.9Å; D225-R227 PolarHBondContact OD2-NE 3.48Å; D225-R227 IonicContact OD2-NH2 3.31Å; D225-R227 PolarHBondContact OD2-NH2 3.41Å; D225-G228 PolarHBondContact O-N 3.24Å; D225-Y231 VanDerWaalsContact CG-CB 3.43Å; D225-Y231 WeakPolarHBondContact OD2-CB 3.21Å; D225-M232 HydrophobicContact CB-CB 4.4Å
226P86.7Confident91.3Very high111 Ų11149.2 Ų49.272%0.72124%0.241SC*.THydrogen-bonded Turntrans-67-19.1-179.428.3-35.3000113.5F224 G228F224-P226 HydrophobicContact CE1-CB 4.26Å; F224-P226 HydrophobicContact CZ-CB 4.24Å; P226-G228 PolarHBondContact O-N 3.48Å
227R87.3Confident91.2Very high165 Ų16550.8 Ų50.862%0.62325%0.25SC*.THydrogen-bonded Turntrans-73.5-16178.4-59.4172-72.5-176.8-2.6112.8D225 Y231D225-R227 PolarHBondContact O-N 3.03Å; D225-R227 WeakPolarHBondContact OD1-CB 3.36Å; D225-R227 WeakPolarHBondContact OD1-CG 3.38Å; D225-R227 IonicContact OD1-CZ 3.67Å; D225-R227 PolarHBondContact OD1-N 3.43Å; D225-R227 IonicContact OD1-NE 2.82Å; D225-R227 PolarHBondContact OD1-NE 3.31Å; D225-R227 IonicContact OD1-NH2 3.22Å; D225-R227 IonicContact OD2-CZ 2.68Å; D225-R227 IonicContact OD2-NE 2.9Å; D225-R227 PolarHBondContact OD2-NE 3.48Å; D225-R227 IonicContact OD2-NH2 3.31Å; D225-R227 PolarHBondContact OD2-NH2 3.41Å; R227-Y231 HydrophobicContact CB-CD1 4.46Å; R227-Y231 HydrophobicContact CB-CD2 3.34Å; R227-Y231 HydrophobicContact CB-CE2 3.56Å; R227-Y231 HydrophobicContact CB-CG 3.82Å; R227-Y231 VanDerWaalsContact CZ-CD1 3.43Å
228G84.9Confident91.2Very high28 Ų2855.8 Ų55.829%0.28928%0.276SS..  trans125.3176.7171.900000114.6D225 P226 Q230 Y231 M232D225-G228 PolarHBondContact O-N 3.24Å; P226-G228 PolarHBondContact O-N 3.48Å; G228-Q230 VanDerWaalsContact C-N 3.25Å; G228-Q230 PolarHBondContact O-N 3.08Å; G228-Q230 VanDerWaalsContact O-N 3.16Å; G228-Y231 PolarHBondContact O-N 3.27Å; G228-M232 PolarHBondContact O-N 3.4Å
229D84.7Confident91.4Very high112 Ų11257 Ų5760%0.59929%0.285SS*.Hα-helixtrans-60.6-30.3-169.1-67.6-14.5000113.8Y231 M232 Y233D229-Y231 VanDerWaalsContact C-N 3.32Å; D229-Y231 PolarHBondContact O-N 3.27Å; D229-M232 HydrophobicContact CB-CE 4.1Å; D229-M232 PolarHBondContact O-N 3.08Å; D229-M232 WeakPolarHBondContact OD1-CE 3.35Å; D229-Y233 VanDerWaalsContact O-CB 3.27Å; D229-Y233 WeakPolarHBondContact O-CB 3.37Å; D229-Y233 PolarHBondContact O-N 3.22Å
230Q86.6Confident91.7Very high166 Ų16660.2 Ų60.278%0.77630%0.301SS*.Hα-helixtrans-63-37.8176.4-69.1-176.5-18.200112.4G228 S234G228-Q230 VanDerWaalsContact C-N 3.25Å; G228-Q230 PolarHBondContact O-N 3.08Å; G228-Q230 VanDerWaalsContact O-N 3.16Å; Q230-S234 PolarHBondContact O-N 2.67Å; Q230-S234 VanDerWaalsContact O-N 3.09Å
231Y90.3Very high92Very high104 Ų10459.4 Ų59.441%0.40830%0.297SS..Hα-helixtrans-75.3-43.1178.5-65.6-88.1000111D225 R227 G228 D229 Y233 S234 R235D225-Y231 VanDerWaalsContact CG-CB 3.43Å; D225-Y231 WeakPolarHBondContact OD2-CB 3.21Å; R227-Y231 HydrophobicContact CB-CD1 4.46Å; R227-Y231 HydrophobicContact CB-CD2 3.34Å; R227-Y231 HydrophobicContact CB-CE2 3.56Å; R227-Y231 HydrophobicContact CB-CG 3.82Å; R227-Y231 VanDerWaalsContact CZ-CD1 3.43Å; G228-Y231 PolarHBondContact O-N 3.27Å; D229-Y231 VanDerWaalsContact C-N 3.32Å; D229-Y231 PolarHBondContact O-N 3.27Å; Y231-Y233 VanDerWaalsContact C-N 3.25Å; Y231-Y233 PolarHBondContact O-N 3.04Å; Y231-S234 WeakPolarHBondContact O-CB 3.49Å; Y231-S234 PolarHBondContact O-N 3.08Å; Y231-S234 VanDerWaalsContact O-N 3.15Å; Y231-R235 WeakPolarHBondContact O-CG 3.38Å; Y231-R235 PolarHBondContact O-N 3.18Å
232M90.7Very high92.1Very high10 Ų1063.9 Ų63.95%0.04932%0.318CS..Hα-helixtrans-54.6-44.7170.8168178.56200111.1P187 F223 D225 G228 D229 S234 R235 I236P187-M232 HydrophobicContact CG-CE 3.59Å; F223-M232 HydrophobicContact CB-CG 4.24Å; F223-M232 WeakPolarHBondContact O-CA 3.5Å; F223-M232 WeakPolarHBondContact O-CB 3.41Å; F223-M232 VanDerWaalsContact O-CG 3.23Å; F223-M232 WeakPolarHBondContact O-CG 3.33Å; D225-M232 HydrophobicContact CB-CB 4.4Å; G228-M232 PolarHBondContact O-N 3.4Å; D229-M232 HydrophobicContact CB-CE 4.1Å; D229-M232 PolarHBondContact O-N 3.08Å; D229-M232 WeakPolarHBondContact OD1-CE 3.35Å; M232-S234 PolarHBondContact O-N 3.27Å; M232-R235 WeakPolarHBondContact O-CB 3.44Å; M232-R235 PolarHBondContact O-N 3Å; M232-I236 HydrophobicContact CG-CD1 4.02Å; M232-I236 WeakPolarHBondContact O-CG1 3.49Å; M232-I236 PolarHBondContact O-N 3.47Å
233Y90.3Very high92.2Very high71 Ų7166.8 Ų66.828%0.27833%0.33SS..Hα-helixtrans-60.3-44.3177.6-171.1-99.1000112.3L195 D229 Y231 R235 I236 L237L195-Y233 HydrophobicContact CB-CE2 3.76Å; L195-Y233 WeakPolarHBondContact CB-OH 3.49Å; L195-Y233 HydrophobicContact CD1-CD2 3.89Å; L195-Y233 HydrophobicContact CD1-CE2 3.59Å; L195-Y233 HydrophobicContact CD2-CE2 3.94Å; L195-Y233 HydrophobicContact CG-CE2 3.94Å; L195-Y233 PolarHBondContact O-OH 3.41Å; D229-Y233 VanDerWaalsContact O-CB 3.27Å; D229-Y233 WeakPolarHBondContact O-CB 3.37Å; D229-Y233 PolarHBondContact O-N 3.22Å; Y231-Y233 VanDerWaalsContact C-N 3.25Å; Y231-Y233 PolarHBondContact O-N 3.04Å; Y233-R235 VanDerWaalsContact C-N 3.33Å; Y233-R235 PolarHBondContact O-N 3.03Å; Y233-I236 PolarHBondContact O-N 3.3Å; Y233-L237 HydrophobicContact CD1-CD1 3.73Å; Y233-L237 HydrophobicContact CD1-CG 4.19Å; Y233-L237 HydrophobicContact CE1-CD1 3.32Å; Y233-L237 HydrophobicContact CE1-CG 3.96Å; Y233-L237 WeakPolarHBondContact O-CG 3.33Å; Y233-L237 PolarHBondContact O-N 3.18Å
234S92.8Very high92.1Very high58 Ų5869.1 Ų69.141%0.40634%0.344SS..Hα-helixtrans-58.4-44.2173.4-174.80000111.8Q230 Y231 M232 I236 L237 N238Q230-S234 PolarHBondContact O-N 2.67Å; Q230-S234 VanDerWaalsContact O-N 3.09Å; Y231-S234 WeakPolarHBondContact O-CB 3.49Å; Y231-S234 PolarHBondContact O-N 3.08Å; Y231-S234 VanDerWaalsContact O-N 3.15Å; M232-S234 PolarHBondContact O-N 3.27Å; S234-I236 PolarHBondContact O-N 3.09Å; S234-L237 PolarHBondContact O-N 3.22Å; S234-N238 WeakPolarHBondContact O-CB 3.18Å; S234-N238 PolarHBondContact O-N 3.38Å; S234-N238 PolarHBondContact O-ND2 2.91Å; S234-N238 PolarHBondContact OG-ND2 2.84Å
235R96Very high92.1Very high48 Ų4869.6 Ų69.618%0.18136%0.356CS..Hα-helixtrans-61.2-43.2177.2-67.2-169.274.6164.315.6112.2F223 Y231 M232 Y233 N238 C239 D240F223-R235 HydrophobicContact CB-CB 4.34Å; F223-R235 HydrophobicContact CD1-CB 4.1Å; Y231-R235 WeakPolarHBondContact O-CG 3.38Å; Y231-R235 PolarHBondContact O-N 3.18Å; M232-R235 WeakPolarHBondContact O-CB 3.44Å; M232-R235 PolarHBondContact O-N 3Å; Y233-R235 VanDerWaalsContact C-N 3.33Å; Y233-R235 PolarHBondContact O-N 3.03Å; R235-N238 CarbonylContact O-C 3.58Å; R235-N238 PolarHBondContact O-N 3.49Å; R235-C239 WeakPolarHBondContact O-CA 3.41Å; R235-C239 PolarHBondContact O-N 2.8Å; R235-D240 HydrophobicContact CB-CB 4.29Å; R235-D240 HydrophobicContact CG-CB 4.44Å; R235-D240 IonicContact CZ-OD1 2.71Å; R235-D240 PolarHBondContact NE-O 3.35Å; R235-D240 IonicContact NE-OD1 2.68Å; R235-D240 IonicContact NE-OD2 3.28Å; R235-D240 PolarHBondContact NH2-O 2.93Å; R235-D240 IonicContact NH2-OD1 2.66Å; R235-D240 PolarHBondContact NH2-OD1 3.32Å; R235-D240 PolarHBondContact O-N 3.3Å
236I95.3Very high92.3Very high0 Ų073.3 Ų73.30%038%0.38CS..Hα-helixtrans-59.7-51.4175.4-64.3162.8000110.3P187 P192 L195 W207 F223 M232 Y233 S234 N238 C239P187-I236 HydrophobicContact CB-CD1 4.49Å; P187-I236 WeakPolarHBondContact O-CD1 3.35Å; P192-I236 HydrophobicContact CG-CG2 4.06Å; P192-I236 WeakPolarHBondContact CG-O 3.37Å; L195-I236 HydrophobicContact CD1-CB 4.26Å; L195-I236 HydrophobicContact CD1-CD1 4.32Å; L195-I236 HydrophobicContact CD1-CG2 3.57Å; W207-I236 HydrophobicContact CZ2-CG2 4.02Å; F223-I236 HydrophobicContact CB-CD1 4.43Å; F223-I236 HydrophobicContact CB-CG1 3.65Å; F223-I236 HydrophobicContact CD1-CG1 4.19Å; F223-I236 HydrophobicContact CD2-CG1 3.72Å; F223-I236 HydrophobicContact CE2-CG1 4.44Å; F223-I236 HydrophobicContact CG-CG1 3.57Å; M232-I236 HydrophobicContact CG-CD1 4.02Å; M232-I236 WeakPolarHBondContact O-CG1 3.49Å; M232-I236 PolarHBondContact O-N 3.47Å; Y233-I236 PolarHBondContact O-N 3.3Å; S234-I236 PolarHBondContact O-N 3.09Å; I236-N238 PolarHBondContact O-N 2.88Å; I236-C239 PolarHBondContact O-N 3.03Å
237L94.4Very high92.5Very high34 Ų3472.6 Ų72.618%0.17836%0.363CS..Hα-helixtrans-61-30.9-178.1-72-176.1000113.2P192 L195 R196 Y233 S234 L265P192-L237 HydrophobicContact CB-CD2 4.41Å; L195-L237 HydrophobicContact CB-CD2 4Å; R196-L237 HydrophobicContact CG-CD2 3.86Å; R196-L237 PolarHBondContact NH2-O 2.87Å; Y233-L237 HydrophobicContact CD1-CD1 3.73Å; Y233-L237 HydrophobicContact CD1-CG 4.19Å; Y233-L237 HydrophobicContact CE1-CD1 3.32Å; Y233-L237 HydrophobicContact CE1-CG 3.96Å; Y233-L237 WeakPolarHBondContact O-CG 3.33Å; Y233-L237 PolarHBondContact O-N 3.18Å; S234-L237 PolarHBondContact O-N 3.22Å; L237-L265 WeakPolarHBondContact O-CD1 3.43Å
238N96.4Very high92.9Very high104 Ų10464.7 Ų64.756%0.55633%0.334SS*.Hα-helixtrans-94-1177.9-64.1-45.8000113.4S234 R235 I236 D240S234-N238 WeakPolarHBondContact O-CB 3.18Å; S234-N238 PolarHBondContact O-N 3.38Å; S234-N238 PolarHBondContact O-ND2 2.91Å; S234-N238 PolarHBondContact OG-ND2 2.84Å; R235-N238 CarbonylContact O-C 3.58Å; R235-N238 PolarHBondContact O-N 3.49Å; I236-N238 PolarHBondContact O-N 2.88Å; N238-D240 HydrophobicContact CB-CB 4.44Å; N238-D240 PolarHBondContact O-N 3.44Å
239C97Very high93.2Very high26 Ų2667.5 Ų67.518%0.17634%0.342CS..THydrogen-bonded Turntrans52.539.5-173.1-1650000112.7W207 R235 I236 Y241 I263 L265W207-C239 HydrophobicContact CH2-CB 4.3Å; R235-C239 WeakPolarHBondContact O-CA 3.41Å; R235-C239 PolarHBondContact O-N 2.8Å; I236-C239 PolarHBondContact O-N 3.03Å; C239-Y241 PolarHBondContact O-N 3.23Å; C239-I263 PolarHBondContact SG-O 2.96Å; C239-I263 VanDerWaalsContact SG-O 3.38Å; C239-L265 HydrophobicContact CB-CB 3.83Å; C239-L265 HydrophobicContact CB-CD1 4.19Å; C239-L265 HydrophobicContact CB-CG 4.44Å
240D96.8Very high93.5Very high69 Ų6968.2 Ų68.237%0.36934%0.342SS..  trans-90.896.2-178.9169.27000110F223 R235 N238F223-D240 WeakPolarHBondContact CD1-O 3.33Å; R235-D240 HydrophobicContact CB-CB 4.29Å; R235-D240 HydrophobicContact CG-CB 4.44Å; R235-D240 IonicContact CZ-OD1 2.71Å; R235-D240 PolarHBondContact NE-O 3.35Å; R235-D240 IonicContact NE-OD1 2.68Å; R235-D240 IonicContact NE-OD2 3.28Å; R235-D240 PolarHBondContact NH2-O 2.93Å; R235-D240 IonicContact NH2-OD1 2.66Å; R235-D240 PolarHBondContact NH2-OD1 3.32Å; R235-D240 PolarHBondContact O-N 3.3Å; N238-D240 HydrophobicContact CB-CB 4.44Å; N238-D240 PolarHBondContact O-N 3.44Å
241Y97.1Very high93.8Very high38 Ų3860.6 Ų60.615%0.14931%0.307CS..  trans-139.3161.3168.875.1-83.1000109.4Y214 P222 F223 C239 F243 V259 S260 I263Y214-Y241 HydrophobicContact CD2-CD2 4.15Å; Y214-Y241 HydrophobicContact CD2-CE2 4.45Å; Y214-Y241 AromaticContact CE2-CD2 3.87Å; Y214-Y241 HydrophobicContact CE2-CD2 3.87Å; Y214-Y241 HydrophobicContact CE2-CE2 4.43Å; P222-Y241 HydrophobicContact CB-CD2 4.48Å; P222-Y241 HydrophobicContact CB-CG 4.27Å; F223-Y241 HydrophobicContact CE1-CD1 4Å; F223-Y241 HydrophobicContact CE1-CG 4.33Å; F223-Y241 HydrophobicContact CZ-CD1 4.11Å; C239-Y241 PolarHBondContact O-N 3.23Å; Y241-F243 AromaticContact CE2-CE1 3.91Å; Y241-F243 HydrophobicContact CE2-CE1 3.91Å; Y241-F243 AromaticContact CE2-CZ 3.96Å; Y241-F243 HydrophobicContact CE2-CZ 3.96Å; Y241-V259 HydrophobicContact CE2-CG1 4.14Å; Y241-S260 WeakPolarHBondContact OH-CA 3.48Å; Y241-I263 HydrophobicContact CD1-CB 4.46Å; Y241-I263 HydrophobicContact CD1-CG2 3.72Å; Y241-I263 HydrophobicContact CE1-CB 3.76Å; Y241-I263 HydrophobicContact CE1-CG2 3.44Å; Y241-I263 VanDerWaalsContact CE1-CG2 3.44Å
242E96.2Very high94.1Very high116 Ų11656.4 Ų56.454%0.54229%0.292SS..  trans-137.1151-174.4-63.2178.5165.900111.1Y214 V244Y214-E242 PolarHBondContact OH-O 3.05Å; E242-V244 VanDerWaalsContact C-N 3.32Å; E242-V244 HydrophobicContact CB-CG2 3.86Å; E242-V244 PolarHBondContact O-N 2.85Å; E242-V244 VanDerWaalsContact O-N 3.16Å
243F97.1Very high94.4Very high67 Ų6762.5 Ų62.529%0.29433%0.325SS..  trans-86.375.5168.7-60.8-52.5000109.9Y214 Y241 W248 K256 V259Y214-F243 HydrophobicContact CD2-CE1 4.41Å; Y214-F243 HydrophobicContact CE2-CD1 4.16Å; Y214-F243 HydrophobicContact CE2-CE1 4.34Å; Y241-F243 AromaticContact CE2-CE1 3.91Å; Y241-F243 HydrophobicContact CE2-CE1 3.91Å; Y241-F243 AromaticContact CE2-CZ 3.96Å; Y241-F243 HydrophobicContact CE2-CZ 3.96Å; F243-W248 HydrophobicContact CB-CB 3.88Å; F243-W248 HydrophobicContact CB-CD2 4.05Å; F243-W248 HydrophobicContact CB-CE3 4.37Å; F243-W248 HydrophobicContact CB-CG 3.81Å; F243-W248 AromaticContact CD1-CD2 3.53Å; F243-W248 HydrophobicContact CD1-CD2 3.53Å; F243-W248 AromaticContact CD1-CE2 3.76Å; F243-W248 AromaticContact CD1-CE3 3.46Å; F243-W248 HydrophobicContact CD1-CE3 3.46Å; F243-W248 VanDerWaalsContact CD1-CE3 3.46Å; F243-W248 HydrophobicContact CD1-CG 4.19Å; F243-W248 AromaticContact CD1-CH2 3.91Å; F243-W248 HydrophobicContact CD1-CH2 3.91Å; F243-W248 AromaticContact CD1-CZ2 3.98Å; F243-W248 HydrophobicContact CD1-CZ2 3.98Å; F243-W248 AromaticContact CD1-CZ3 3.63Å; F243-W248 HydrophobicContact CD1-CZ3 3.63Å; F243-W248 HydrophobicContact CE1-CD2 4.4Å; F243-W248 HydrophobicContact CE1-CE3 4.01Å; F243-W248 AromaticContact CE1-CH2 3.84Å; F243-W248 HydrophobicContact CE1-CH2 3.84Å; F243-W248 HydrophobicContact CE1-CZ2 4.25Å; F243-W248 AromaticContact CE1-CZ3 3.69Å; F243-W248 HydrophobicContact CE1-CZ3 3.69Å; F243-W248 HydrophobicContact CG-CD2 4.19Å; F243-W248 HydrophobicContact CG-CE3 4.16Å; F243-W248 HydrophobicContact CG-CG 4.46Å; F243-K256 HydrophobicContact CD1-CG 4.39Å; F243-K256 HydrophobicContact CD2-CB 4.42Å; F243-K256 HydrophobicContact CD2-CD 4.45Å; F243-K256 HydrophobicContact CD2-CG 4.33Å; F243-K256 HydrophobicContact CE1-CB 4.5Å; F243-K256 HydrophobicContact CE1-CG 4.4Å; F243-K256 HydrophobicContact CE2-CB 4.01Å; F243-K256 HydrophobicContact CE2-CG 4.35Å; F243-K256 HydrophobicContact CG-CG 4.35Å; F243-K256 HydrophobicContact CZ-CB 4.04Å; F243-K256 HydrophobicContact CZ-CG 4.38Å; F243-K256 WeakPolarHBondContact CZ-O 3.23Å; F243-V259 HydrophobicContact CE1-CB 4.06Å; F243-V259 HydrophobicContact CE1-CG1 3.75Å; F243-V259 HydrophobicContact CZ-CB 4.08Å; F243-V259 HydrophobicContact CZ-CG1 3.99Å
244V93.4Very high94.7Very high51 Ų5162 Ų6231%0.30933%0.326SS..  trans-68.5131.9-168.4-166.30000112.7E242 W247 W248E242-V244 VanDerWaalsContact C-N 3.32Å; E242-V244 HydrophobicContact CB-CG2 3.86Å; E242-V244 PolarHBondContact O-N 2.85Å; E242-V244 VanDerWaalsContact O-N 3.16Å; V244-W247 HydrophobicContact CB-CE3 4.04Å; V244-W247 HydrophobicContact CB-CZ3 4.29Å; V244-W247 HydrophobicContact CG1-CE3 3.87Å; V244-W247 HydrophobicContact CG1-CZ3 3.64Å; V244-W247 PolarHBondContact O-N 3.34Å; V244-W248 PolarHBondContact O-N 2.71Å; V244-W248 VanDerWaalsContact O-N 3.13Å
245S91.8Very high94.9Very high73 Ų7359.2 Ų59.251%0.5131%0.307SS..THydrogen-bonded Turntrans-75.2145.7169.9-61.50000112.1W247 D249S245-W247 WeakPolarHBondContact O-CZ3 3.48Å; S245-D249 VanDerWaalsContact CB-OD1 3.24Å; S245-D249 WeakPolarHBondContact CB-OD1 3.27Å; S245-D249 PolarHBondContact OG-OD1 2.9Å
246P92Very high95.1Very high89 Ų8958.8 Ų58.858%0.57831%0.306SS*.THydrogen-bonded Turncis-88.7-1.52.935.3-35.9000114W248 D249P246-W248 VanDerWaalsContact C-N 3.28Å; P246-W248 PolarHBondContact O-N 2.88Å; P246-D249 WeakPolarHBondContact CA-OD2 3.33Å; P246-D249 PolarHBondContact O-N 2.97Å
247W91.8Very high95.2Very high95 Ų9561.4 Ų61.436%0.3632%0.32SS..THydrogen-bonded Turntrans-64.7-30-169.3-58.6-83.9000114C218 F220 V244 S245C218-W247 HydrophobicContact CB-CB 4.31Å; F220-W247 HydrophobicContact CE1-CB 3.74Å; F220-W247 AromaticContact CE1-CD1 3.98Å; F220-W247 AromaticContact CE1-CD2 3.95Å; F220-W247 HydrophobicContact CE1-CD2 3.95Å; F220-W247 HydrophobicContact CE1-CE3 4.46Å; F220-W247 AromaticContact CE1-CG 3.6Å; F220-W247 HydrophobicContact CE1-CG 3.6Å; F220-W247 HydrophobicContact CZ-CB 4.09Å; F220-W247 HydrophobicContact CZ-CD2 4.23Å; F220-W247 HydrophobicContact CZ-CE3 4.3Å; F220-W247 HydrophobicContact CZ-CG 4.16Å; V244-W247 HydrophobicContact CB-CE3 4.04Å; V244-W247 HydrophobicContact CB-CZ3 4.29Å; V244-W247 HydrophobicContact CG1-CE3 3.87Å; V244-W247 HydrophobicContact CG1-CZ3 3.64Å; V244-W247 PolarHBondContact O-N 3.34Å; S245-W247 WeakPolarHBondContact O-CZ3 3.48Å
248W94.9Very high95.4Very high0 Ų059.8 Ų59.80%031%0.312CS..THydrogen-bonded Turntrans-99.2-3.6179.4-77.388000114.1Y214 L217 C218 F243 V244 P246 E250 V251 K256 V259Y214-W248 HydrophobicContact CD1-CZ2 4.08Å; Y214-W248 AromaticContact CD2-CH2 3.91Å; Y214-W248 HydrophobicContact CD2-CH2 3.91Å; Y214-W248 AromaticContact CD2-CZ2 3.34Å; Y214-W248 HydrophobicContact CD2-CZ2 3.34Å; Y214-W248 HydrophobicContact CE1-CZ2 4.08Å; Y214-W248 AromaticContact CE2-CE2 3.68Å; Y214-W248 HydrophobicContact CE2-CH2 4.2Å; Y214-W248 AromaticContact CE2-CZ2 3.31Å; Y214-W248 HydrophobicContact CE2-CZ2 3.31Å; Y214-W248 AromaticContact CE2-NE1 3.74Å; Y214-W248 HydrophobicContact CG-CH2 4.33Å; Y214-W248 AromaticContact CG-CZ2 3.71Å; Y214-W248 HydrophobicContact CG-CZ2 3.71Å; Y214-W248 AromaticContact CZ-CE2 3.8Å; Y214-W248 AromaticContact CZ-CZ2 3.69Å; Y214-W248 AromaticContact CZ-NE1 3.42Å; Y214-W248 PolarHBondContact OH-NE1 3.37Å; L217-W248 HydrophobicContact CB-CH2 3.74Å; L217-W248 HydrophobicContact CB-CZ2 4.2Å; L217-W248 HydrophobicContact CB-CZ3 4.18Å; L217-W248 HydrophobicContact CD1-CH2 3.64Å; L217-W248 HydrophobicContact CD1-CZ3 3.8Å; L217-W248 HydrophobicContact CG-CH2 4.37Å; C218-W248 HydrophobicContact CB-CZ2 4.07Å; F243-W248 HydrophobicContact CB-CB 3.88Å; F243-W248 HydrophobicContact CB-CD2 4.05Å; F243-W248 HydrophobicContact CB-CE3 4.37Å; F243-W248 HydrophobicContact CB-CG 3.81Å; F243-W248 AromaticContact CD1-CD2 3.53Å; F243-W248 HydrophobicContact CD1-CD2 3.53Å; F243-W248 AromaticContact CD1-CE2 3.76Å; F243-W248 AromaticContact CD1-CE3 3.46Å; F243-W248 HydrophobicContact CD1-CE3 3.46Å; F243-W248 VanDerWaalsContact CD1-CE3 3.46Å; F243-W248 HydrophobicContact CD1-CG 4.19Å; F243-W248 AromaticContact CD1-CH2 3.91Å; F243-W248 HydrophobicContact CD1-CH2 3.91Å; F243-W248 AromaticContact CD1-CZ2 3.98Å; F243-W248 HydrophobicContact CD1-CZ2 3.98Å; F243-W248 AromaticContact CD1-CZ3 3.63Å; F243-W248 HydrophobicContact CD1-CZ3 3.63Å; F243-W248 HydrophobicContact CE1-CD2 4.4Å; F243-W248 HydrophobicContact CE1-CE3 4.01Å; F243-W248 AromaticContact CE1-CH2 3.84Å; F243-W248 HydrophobicContact CE1-CH2 3.84Å; F243-W248 HydrophobicContact CE1-CZ2 4.25Å; F243-W248 AromaticContact CE1-CZ3 3.69Å; F243-W248 HydrophobicContact CE1-CZ3 3.69Å; F243-W248 HydrophobicContact CG-CD2 4.19Å; F243-W248 HydrophobicContact CG-CE3 4.16Å; F243-W248 HydrophobicContact CG-CG 4.46Å; V244-W248 PolarHBondContact O-N 2.71Å; V244-W248 VanDerWaalsContact O-N 3.13Å; P246-W248 VanDerWaalsContact C-N 3.28Å; P246-W248 PolarHBondContact O-N 2.88Å; W248-E250 VanDerWaalsContact C-N 3.31Å; W248-E250 PolarHBondContact O-N 2.86Å; W248-V251 HydrophobicContact CD2-CB 4.47Å; W248-V251 HydrophobicContact CD2-CG2 4.35Å; W248-V251 HydrophobicContact CE3-CB 3.7Å; W248-V251 HydrophobicContact CE3-CG1 3.6Å; W248-V251 HydrophobicContact CE3-CG2 3.97Å; W248-V251 HydrophobicContact CZ3-CB 4.22Å; W248-V251 HydrophobicContact CZ3-CG1 3.59Å; W248-V251 HydrophobicContact CZ3-CG2 4.49Å; W248-V251 PolarHBondContact O-N 3.49Å; W248-V251 VanDerWaalsContact O-N 3.11Å; W248-K256 HydrophobicContact CE3-CD 4.43Å; W248-K256 HydrophobicContact CE3-CG 3.72Å; W248-K256 HydrophobicContact CZ3-CG 3.91Å; W248-K256 WeakPolarHBondContact O-CE 3.41Å; W248-K256 PolarHBondContact O-NZ 2.97Å; W248-V259 HydrophobicContact CH2-CG2 4.13Å
249D92.4Very high95.5Very high87 Ų8754.8 Ų54.847%0.46529%0.286SS..THydrogen-bonded Turntrans-62.6-41.8-173.5-66.6-4.1000111S245 P246S245-D249 VanDerWaalsContact CB-OD1 3.24Å; S245-D249 WeakPolarHBondContact CB-OD1 3.27Å; S245-D249 PolarHBondContact OG-OD1 2.9Å; P246-D249 WeakPolarHBondContact CA-OD2 3.33Å; P246-D249 PolarHBondContact O-N 2.97Å
250E89.6Confident95.6Very high127 Ų12755.9 Ų55.959%0.59329%0.293SS*.THydrogen-bonded Turntrans-85.5-6178.1-68.2-60.414500114W248 R288W248-E250 VanDerWaalsContact C-N 3.31Å; W248-E250 PolarHBondContact O-N 2.86Å; E250-R288 WeakPolarHBondContact O-CD 3.34Å; E250-R288 PolarHBondContact O-NH1 3.15Å; E250-R288 IonicContact OE2-CZ 3.48Å; E250-R288 VanDerWaalsContact OE2-CZ 3.31Å; E250-R288 IonicContact OE2-NH1 3.72Å; E250-R288 PolarHBondContact OE2-NH1 3.09Å; E250-R288 IonicContact OE2-NH2 2.86Å; E250-R288 PolarHBondContact OE2-NH2 3.35Å
251V94.4Very high95.7Very high6 Ų656.5 Ų56.54%0.03629%0.293CS..SBendtrans-77.2131.2178.3178.70000109.8E120 L217 W248 A255 K256 M292E120-V251 WeakPolarHBondContact OE1-CA 3.35Å; L217-V251 HydrophobicContact CB-CG1 4.44Å; L217-V251 HydrophobicContact CD1-CG1 4.19Å; L217-V251 HydrophobicContact CD2-CG1 4.23Å; W248-V251 HydrophobicContact CD2-CB 4.47Å; W248-V251 HydrophobicContact CD2-CG2 4.35Å; W248-V251 HydrophobicContact CE3-CB 3.7Å; W248-V251 HydrophobicContact CE3-CG1 3.6Å; W248-V251 HydrophobicContact CE3-CG2 3.97Å; W248-V251 HydrophobicContact CZ3-CB 4.22Å; W248-V251 HydrophobicContact CZ3-CG1 3.59Å; W248-V251 HydrophobicContact CZ3-CG2 4.49Å; W248-V251 PolarHBondContact O-N 3.49Å; W248-V251 VanDerWaalsContact O-N 3.11Å; V251-A255 HydrophobicContact CG1-CB 3.66Å; V251-K256 HydrophobicContact CG1-CG 4.35Å; V251-K256 VanDerWaalsContact O-CE 3.25Å; V251-K256 WeakPolarHBondContact O-CE 3.49Å; V251-K256 PolarHBondContact O-NZ 3.33Å; V251-M292 HydrophobicContact CG2-CE 4.4Å
252S96Very high95.8Very high16 Ų1654.7 Ų54.711%0.11229%0.285CS..  trans-59.9148.3-175.174.20000112.8E120 N254 A255 K256E120-S252 WeakPolarHBondContact OE1-CB 3.49Å; E120-S252 PolarHBondContact OE1-N 2.9Å; E120-S252 WeakPolarHBondContact OE2-CB 3.32Å; E120-S252 PolarHBondContact OE2-OG 3.28Å; S252-N254 PolarHBondContact O-N 3.37Å; S252-A255 WeakPolarHBondContact O-CB 3.44Å; S252-A255 PolarHBondContact O-N 3.4Å; S252-A255 VanDerWaalsContact O-N 3.09Å; S252-A255 WeakPolarHBondContact OG-CB 3.4Å; S252-A255 PolarHBondContact OG-N 2.64Å; S252-K256 PolarHBondContact O-N 2.76Å
253L96.4Very high95.9Very high138 Ų13849.3 Ų49.372%0.72326%0.26SS*.Hα-helixtrans-60.2-33.2176.8-64.1178.8000112.2K256 D257L253-K256 HydrophobicContact CD2-CD 4.44Å; L253-K256 PolarHBondContact O-N 3.1Å; L253-D257 VanDerWaalsContact O-CB 3.27Å; L253-D257 WeakPolarHBondContact O-CB 3.31Å; L253-D257 PolarHBondContact O-N 2.89Å
254N97.4Very high95.9Very high59 Ų5947.5 Ų47.532%0.31626%0.255SS..Hα-helixtrans-68.6-35.8176.2-82.9-85.3000112.2S252 L258 H279 W281 A286S252-N254 PolarHBondContact O-N 3.37Å; N254-L258 PolarHBondContact O-N 3.45Å; N254-L258 VanDerWaalsContact O-N 3.08Å; N254-H279 PolarHBondContact O-CE1 3.27Å; N254-H279 VanDerWaalsContact O-CE1 3.26Å; N254-W281 HydrophobicContact CB-CB 4.14Å; N254-A286 HydrophobicContact CB-CB 3.77Å
255A97.6Very high96.1Very high0 Ų048.2 Ų48.20%026%0.257CS..Hα-helixtrans-65.5-46.4173.400000111L217 V251 S252 D257 L258 V259 W281L217-A255 HydrophobicContact CD1-CB 3.82Å; L217-A255 HydrophobicContact CD2-CB 4.22Å; V251-A255 HydrophobicContact CG1-CB 3.66Å; S252-A255 WeakPolarHBondContact O-CB 3.44Å; S252-A255 PolarHBondContact O-N 3.4Å; S252-A255 VanDerWaalsContact O-N 3.09Å; S252-A255 WeakPolarHBondContact OG-CB 3.4Å; S252-A255 PolarHBondContact OG-N 2.64Å; A255-D257 VanDerWaalsContact C-N 3.33Å; A255-D257 PolarHBondContact O-N 3.49Å; A255-L258 PolarHBondContact O-N 3.28Å; A255-V259 WeakPolarHBondContact O-CG2 3.12Å; A255-V259 PolarHBondContact O-N 3.46Å; A255-W281 HydrophobicContact CB-CD2 4.37Å; A255-W281 HydrophobicContact CB-CG 4.38Å; A255-W281 HydrophobicContact CB-CZ2 4.3Å
256K98.4Very high96.3Very high39 Ų3947.3 Ų47.317%0.1725%0.246CC..Hα-helixtrans-59.2-42.6176-69.1173.4-177.7171.10112.1F243 W248 V251 S252 L253 V259 S260F243-K256 HydrophobicContact CD1-CG 4.39Å; F243-K256 HydrophobicContact CD2-CB 4.42Å; F243-K256 HydrophobicContact CD2-CD 4.45Å; F243-K256 HydrophobicContact CD2-CG 4.33Å; F243-K256 HydrophobicContact CE1-CB 4.5Å; F243-K256 HydrophobicContact CE1-CG 4.4Å; F243-K256 HydrophobicContact CE2-CB 4.01Å; F243-K256 HydrophobicContact CE2-CG 4.35Å; F243-K256 HydrophobicContact CG-CG 4.35Å; F243-K256 HydrophobicContact CZ-CB 4.04Å; F243-K256 HydrophobicContact CZ-CG 4.38Å; F243-K256 WeakPolarHBondContact CZ-O 3.23Å; W248-K256 HydrophobicContact CE3-CD 4.43Å; W248-K256 HydrophobicContact CE3-CG 3.72Å; W248-K256 HydrophobicContact CZ3-CG 3.91Å; W248-K256 WeakPolarHBondContact O-CE 3.41Å; W248-K256 PolarHBondContact O-NZ 2.97Å; V251-K256 HydrophobicContact CG1-CG 4.35Å; V251-K256 VanDerWaalsContact O-CE 3.25Å; V251-K256 WeakPolarHBondContact O-CE 3.49Å; V251-K256 PolarHBondContact O-NZ 3.33Å; S252-K256 PolarHBondContact O-N 2.76Å; L253-K256 HydrophobicContact CD2-CD 4.44Å; L253-K256 PolarHBondContact O-N 3.1Å; K256-V259 PolarHBondContact O-N 2.76Å; K256-S260 PolarHBondContact O-N 2.97Å; K256-S260 PolarHBondContact O-OG 3.28Å
257D98.6Very high96.4Very high55 Ų5544.4 Ų44.429%0.29423%0.227SC..Hα-helixtrans-63.3-40.9177-179.267000112.4L253 A255 S260 K261 H279L253-D257 VanDerWaalsContact O-CB 3.27Å; L253-D257 WeakPolarHBondContact O-CB 3.31Å; L253-D257 PolarHBondContact O-N 2.89Å; A255-D257 VanDerWaalsContact C-N 3.33Å; A255-D257 PolarHBondContact O-N 3.49Å; D257-S260 PolarHBondContact O-N 2.91Å; D257-S260 PolarHBondContact O-OG 3.33Å; D257-K261 WeakPolarHBondContact O-CB 3.42Å; D257-K261 VanDerWaalsContact O-CG 3.29Å; D257-K261 WeakPolarHBondContact O-CG 3.31Å; D257-K261 PolarHBondContact O-N 3.47Å; D257-K261 WeakPolarHBondContact OD1-CE 3.22Å; D257-K261 IonicContact OD1-NZ 2.94Å; D257-K261 PolarHBondContact OD1-NZ 2.99Å; D257-K261 WeakPolarHBondContact OD2-CE 3.32Å; D257-K261 IonicContact OD2-NZ 2.75Å; D257-K261 PolarHBondContact OD2-NZ 3.27Å; D257-H279 IonicContact OD2-CE1 3.89Å; D257-H279 IonicContact OD2-NE2 2.79Å; D257-H279 PolarHBondContact OD2-NE2 3.16Å
258L98.6Very high96.6Very high0 Ų047.9 Ų47.90%025%0.247CC..Hα-helixtrans-64-44.6174.5-178.958.1000111.5L213 N254 A255 K261 L262 L271 H279 W281 V282L213-L258 HydrophobicContact CD2-CB 4.14Å; L213-L258 HydrophobicContact CD2-CD2 3.6Å; L213-L258 HydrophobicContact CD2-CG 3.63Å; N254-L258 PolarHBondContact O-N 3.45Å; N254-L258 VanDerWaalsContact O-N 3.08Å; A255-L258 PolarHBondContact O-N 3.28Å; L258-K261 PolarHBondContact O-N 2.94Å; L258-L262 HydrophobicContact CD1-CD1 3.88Å; L258-L262 HydrophobicContact CD1-CG 4.17Å; L258-L262 HydrophobicContact CG-CD1 3.9Å; L258-L262 WeakPolarHBondContact O-CG 3.16Å; L258-L262 PolarHBondContact O-N 3.27Å; L258-L262 VanDerWaalsContact O-N 3.14Å; L258-L271 HydrophobicContact CD1-CD1 4.03Å; L258-H279 HydrophobicContact CD1-CB 4.04Å; L258-W281 HydrophobicContact CD2-CD2 4.44Å; L258-W281 HydrophobicContact CD2-CE3 3.61Å; L258-W281 HydrophobicContact CD2-CZ3 4.19Å; L258-V282 HydrophobicContact CD2-CG2 3.48Å; L258-V282 VanDerWaalsContact CD2-CG2 3.48Å
259V98.6Very high96.7Very high0 Ų055.2 Ų55.20%028%0.279CS..Hα-helixtrans-60.2-47177.6173.80000111.1L213 Y214 L217 Y241 F243 W248 A255 K256 K261 L262 I263L213-V259 HydrophobicContact CB-CG2 4.47Å; L213-V259 HydrophobicContact CD2-CG2 3.5Å; L213-V259 VanDerWaalsContact CD2-CG2 3.5Å; L213-V259 HydrophobicContact CG-CG2 3.62Å; Y214-V259 HydrophobicContact CD2-CG1 4.04Å; L217-V259 HydrophobicContact CD1-CG2 3.95Å; Y241-V259 HydrophobicContact CE2-CG1 4.14Å; F243-V259 HydrophobicContact CE1-CB 4.06Å; F243-V259 HydrophobicContact CE1-CG1 3.75Å; F243-V259 HydrophobicContact CZ-CB 4.08Å; F243-V259 HydrophobicContact CZ-CG1 3.99Å; W248-V259 HydrophobicContact CH2-CG2 4.13Å; A255-V259 WeakPolarHBondContact O-CG2 3.12Å; A255-V259 PolarHBondContact O-N 3.46Å; K256-V259 PolarHBondContact O-N 2.76Å; V259-K261 PolarHBondContact O-N 2.86Å; V259-L262 PolarHBondContact O-N 2.99Å; V259-L262 VanDerWaalsContact O-N 3.12Å; V259-I263 HydrophobicContact CG1-CD1 3.8Å; V259-I263 HydrophobicContact CG1-CG1 4.24Å; V259-I263 PolarHBondContact O-N 3.47Å
260S98.5Very high97Very high48 Ų4851.6 Ų51.634%0.33626%0.259SS..Hα-helixtrans-66.4-20.5-178.867.60000114.3Y241 K256 D257 V264Y241-S260 WeakPolarHBondContact OH-CA 3.48Å; K256-S260 PolarHBondContact O-N 2.97Å; K256-S260 PolarHBondContact O-OG 3.28Å; D257-S260 PolarHBondContact O-N 2.91Å; D257-S260 PolarHBondContact O-OG 3.33Å; S260-V264 WeakPolarHBondContact O-CG2 3.22Å
261K98.6Very high97.4Very high82 Ų8247 Ų4736%0.35724%0.238SC..Hα-helixtrans-92.9-13.4175.2-70174.9179161.60114.1D257 L258 V259 L271D257-K261 WeakPolarHBondContact O-CB 3.42Å; D257-K261 VanDerWaalsContact O-CG 3.29Å; D257-K261 WeakPolarHBondContact O-CG 3.31Å; D257-K261 PolarHBondContact O-N 3.47Å; D257-K261 WeakPolarHBondContact OD1-CE 3.22Å; D257-K261 IonicContact OD1-NZ 2.94Å; D257-K261 PolarHBondContact OD1-NZ 2.99Å; D257-K261 WeakPolarHBondContact OD2-CE 3.32Å; D257-K261 IonicContact OD2-NZ 2.75Å; D257-K261 PolarHBondContact OD2-NZ 3.27Å; L258-K261 PolarHBondContact O-N 2.94Å; V259-K261 PolarHBondContact O-N 2.86Å; K261-L271 HydrophobicContact CB-CD1 3.36Å; K261-L271 HydrophobicContact CB-CG 3.71Å; K261-L271 HydrophobicContact CD-CD1 3.96Å; K261-L271 HydrophobicContact CD-CG 4.44Å; K261-L271 HydrophobicContact CG-CD1 4.29Å; K261-L271 PolarHBondContact O-N 3.26Å
262L98.6Very high97.6Very high0 Ų049.1 Ų49.10%025%0.253CS..Hα-helixtrans-97.4-39.3174.9-70.8172.5000112.4M206 V209 L213 L258 V259 V264 R270 L271 A276M206-L262 HydrophobicContact CB-CD2 4.25Å; M206-L262 HydrophobicContact CE-CD2 3.49Å; M206-L262 VanDerWaalsContact CE-CD2 3.49Å; V209-L262 HydrophobicContact CG1-CD1 4.26Å; L213-L262 HydrophobicContact CD2-CD1 4.14Å; L258-L262 HydrophobicContact CD1-CD1 3.88Å; L258-L262 HydrophobicContact CD1-CG 4.17Å; L258-L262 HydrophobicContact CG-CD1 3.9Å; L258-L262 WeakPolarHBondContact O-CG 3.16Å; L258-L262 PolarHBondContact O-N 3.27Å; L258-L262 VanDerWaalsContact O-N 3.14Å; V259-L262 PolarHBondContact O-N 2.99Å; V259-L262 VanDerWaalsContact O-N 3.12Å; L262-V264 VanDerWaalsContact C-N 3.31Å; L262-V264 PolarHBondContact O-N 3.28Å; L262-V264 VanDerWaalsContact O-N 3.17Å; L262-R270 WeakPolarHBondContact O-CD 3.3Å; L262-R270 WeakPolarHBondContact O-CG 3.26Å; L262-R270 PolarHBondContact O-NE 2.95Å; L262-L271 HydrophobicContact CD2-CB 4.17Å; L262-A276 HydrophobicContact CD2-CB 4.42Å
263I98.4Very high97.6Very high3 Ų348.9 Ų48.92%0.01525%0.251CS..SBendtrans-91.571.9177-51.1-176.5000108.7W207 V211 P222 F223 C239 Y241 V259W207-I263 HydrophobicContact CE3-CG2 4.1Å; W207-I263 HydrophobicContact CH2-CG2 3.66Å; W207-I263 HydrophobicContact CZ2-CG2 4.08Å; W207-I263 HydrophobicContact CZ3-CG2 3.67Å; V211-I263 HydrophobicContact CG2-CD1 4.43Å; P222-I263 HydrophobicContact CG-CD1 4.37Å; F223-I263 HydrophobicContact CE2-CG2 4.19Å; F223-I263 HydrophobicContact CZ-CG2 3.58Å; C239-I263 PolarHBondContact SG-O 2.96Å; C239-I263 VanDerWaalsContact SG-O 3.38Å; Y241-I263 HydrophobicContact CD1-CB 4.46Å; Y241-I263 HydrophobicContact CD1-CG2 3.72Å; Y241-I263 HydrophobicContact CE1-CB 3.76Å; Y241-I263 HydrophobicContact CE1-CG2 3.44Å; Y241-I263 VanDerWaalsContact CE1-CG2 3.44Å; V259-I263 HydrophobicContact CG1-CD1 3.8Å; V259-I263 HydrophobicContact CG1-CG1 4.24Å; V259-I263 PolarHBondContact O-N 3.47Å
264V98Very high97.7Very high30 Ų3051.9 Ų51.918%0.18225%0.253CS..  trans-117.9131.5-179.1-178.80000109.6S260 L262 D266 K269 R270S260-V264 WeakPolarHBondContact O-CG2 3.22Å; L262-V264 VanDerWaalsContact C-N 3.31Å; L262-V264 PolarHBondContact O-N 3.28Å; L262-V264 VanDerWaalsContact O-N 3.17Å; V264-D266 PolarHBondContact O-N 2.96Å; V264-K269 HydrophobicContact CG1-CB 3.89Å; V264-R270 HydrophobicContact CB-CB 4.38Å; V264-R270 PolarHBondContact O-NE 3.12Å; V264-R270 PolarHBondContact O-NH2 3Å
265L96.8Very high97.7Very high65 Ų6554.2 Ų54.234%0.3426%0.262SS..SBendtrans-62.6-40.6-177.1-174.760.9000112.9P192 L237 C239 P267P192-L265 HydrophobicContact CB-CD1 3.82Å; P192-L265 HydrophobicContact CG-CD1 3.85Å; L237-L265 WeakPolarHBondContact O-CD1 3.43Å; C239-L265 HydrophobicContact CB-CB 3.83Å; C239-L265 HydrophobicContact CB-CD1 4.19Å; C239-L265 HydrophobicContact CB-CG 4.44Å; L265-P267 WeakPolarHBondContact O-CD 3.3Å
266D96.7Very high97.8Very high54 Ų5454.2 Ų54.229%0.28926%0.262SS..SBendtrans-83113.3176.1-177.7-10.2000109.7V264 H268 K269 R270V264-D266 PolarHBondContact O-N 2.96Å; D266-H268 PolarHBondContact O-N 3.07Å; D266-H268 IonicContact OD1-CD2 3.42Å; D266-H268 IonicContact OD1-CG 2.7Å; D266-H268 PolarHBondContact OD1-N 3.32Å; D266-K269 HydrophobicContact CB-CB 4.19Å; D266-K269 HydrophobicContact CB-CD 3.98Å; D266-K269 HydrophobicContact CB-CG 4.12Å; D266-K269 PolarHBondContact O-N 3.31Å; D266-K269 VanDerWaalsContact O-N 3.09Å; D266-K269 WeakPolarHBondContact OD2-CD 3.46Å; D266-K269 WeakPolarHBondContact OD2-CE 3.33Å; D266-K269 WeakPolarHBondContact OD2-CG 3.3Å; D266-K269 IonicContact OD2-NZ 3.87Å; D266-R270 PolarHBondContact O-N 3.05Å
267P94.9Very high97.7Very high28 Ų2854 Ų5418%0.18226%0.262CS..G310 helixtrans-59.2-31.8-178.1-22.634.4000112.7E193 E203 L265 K269 R270E193-P267 HydrophobicContact CB-CG 4.47Å; E193-P267 HydrophobicContact CG-CG 4.18Å; E203-P267 HydrophobicContact CB-CB 3.96Å; E203-P267 HydrophobicContact CG-CB 4.24Å; L265-P267 WeakPolarHBondContact O-CD 3.3Å; P267-K269 VanDerWaalsContact C-N 3.26Å; P267-K269 PolarHBondContact O-N 3.39Å; P267-R270 VanDerWaalsContact O-CB 3.28Å; P267-R270 WeakPolarHBondContact O-CB 3.39Å; P267-R270 PolarHBondContact O-N 3.46Å
268H95.1Very high97.7Very high169 Ų16957.7 Ų57.778%0.78228%0.278SS*.G310 helixtrans-75.8-14.7-178.4-59.9-59.5000113.7D266D266-H268 PolarHBondContact O-N 3.07Å; D266-H268 IonicContact OD1-CD2 3.42Å; D266-H268 IonicContact OD1-CG 2.7Å; D266-H268 PolarHBondContact OD1-N 3.32Å
269K97.4Very high97.7Very high154 Ų15458.4 Ų58.467%0.6728%0.281SS*.G310 helixtrans-98.1-9.1174-66.1178.9-173.9167.10112.7V264 D266 P267V264-K269 HydrophobicContact CG1-CB 3.89Å; D266-K269 HydrophobicContact CB-CB 4.19Å; D266-K269 HydrophobicContact CB-CD 3.98Å; D266-K269 HydrophobicContact CB-CG 4.12Å; D266-K269 PolarHBondContact O-N 3.31Å; D266-K269 VanDerWaalsContact O-N 3.09Å; D266-K269 WeakPolarHBondContact OD2-CD 3.46Å; D266-K269 WeakPolarHBondContact OD2-CE 3.33Å; D266-K269 WeakPolarHBondContact OD2-CG 3.3Å; D266-K269 IonicContact OD2-NZ 3.87Å; P267-K269 VanDerWaalsContact C-N 3.26Å; P267-K269 PolarHBondContact O-N 3.39Å
270R98.1Very high97.6Very high11 Ų1161.2 Ų61.24%0.04230%0.299CS..SBendtrans-70.5140.7177.5-160.2176.1-63.8149.93.3108.8E193 E203 M206 L262 V264 D266 P267 S272E193-R270 IonicContact OE1-CZ 2.91Å; E193-R270 IonicContact OE1-NH1 2.99Å; E193-R270 PolarHBondContact OE1-NH1 3.04Å; E193-R270 IonicContact OE1-NH2 3.03Å; E193-R270 PolarHBondContact OE1-NH2 3.06Å; E193-R270 IonicContact OE2-NH2 3.04Å; E193-R270 PolarHBondContact OE2-NH2 2.86Å; E203-R270 VanDerWaalsContact C-NH1 3.27Å; E203-R270 WeakPolarHBondContact O-CD 3.45Å; E203-R270 PolarHBondContact O-NH1 3.49Å; M206-R270 HydrophobicContact CB-CG 4.2Å; L262-R270 WeakPolarHBondContact O-CD 3.3Å; L262-R270 WeakPolarHBondContact O-CG 3.26Å; L262-R270 PolarHBondContact O-NE 2.95Å; V264-R270 HydrophobicContact CB-CB 4.38Å; V264-R270 PolarHBondContact O-NE 3.12Å; V264-R270 PolarHBondContact O-NH2 3Å; D266-R270 PolarHBondContact O-N 3.05Å; P267-R270 VanDerWaalsContact O-CB 3.28Å; P267-R270 WeakPolarHBondContact O-CB 3.39Å; P267-R270 PolarHBondContact O-N 3.46Å; R270-S272 PolarHBondContact O-N 3Å
271L98.2Very high97.6Very high29 Ų2958.9 Ų58.915%0.15228%0.283CS..PPolyproline II helixtrans-57.1132.9175-77.8169000110.6M206 L258 K261 L262 E275 A276M206-L271 WeakPolarHBondContact CG-O 3.25Å; L258-L271 HydrophobicContact CD1-CD1 4.03Å; K261-L271 HydrophobicContact CB-CD1 3.36Å; K261-L271 HydrophobicContact CB-CG 3.71Å; K261-L271 HydrophobicContact CD-CD1 3.96Å; K261-L271 HydrophobicContact CD-CG 4.44Å; K261-L271 HydrophobicContact CG-CD1 4.29Å; K261-L271 PolarHBondContact O-N 3.26Å; L262-L271 HydrophobicContact CD2-CB 4.17Å; L271-E275 HydrophobicContact CD2-CB 3.57Å; L271-E275 HydrophobicContact CD2-CG 4.46Å; L271-A276 HydrophobicContact CB-CB 4.47Å
272S97.6Very high97.5Very high51 Ų5155.2 Ų55.236%0.35727%0.268SS..PPolyproline II helixtrans-67.8158.7164.669.70000110.4R270 R274 E275 A276R270-S272 PolarHBondContact O-N 3Å; S272-R274 PolarHBondContact O-N 3.19Å; S272-E275 VanDerWaalsContact CB-OE2 3.29Å; S272-E275 WeakPolarHBondContact CB-OE2 3.17Å; S272-E275 PolarHBondContact N-OE2 3.32Å; S272-E275 PolarHBondContact O-N 3.42Å; S272-E275 VanDerWaalsContact O-N 3.14Å; S272-E275 VanDerWaalsContact OG-CD 3.24Å; S272-E275 VanDerWaalsContact OG-CG 3.28Å; S272-E275 WeakPolarHBondContact OG-CG 3.29Å; S272-E275 PolarHBondContact OG-N 3.09Å; S272-E275 PolarHBondContact OG-OE2 3.01Å; S272-A276 PolarHBondContact O-N 3.47Å
273V97.9Very high97.1Very high12 Ų1258.5 Ų58.57%0.07329%0.285CS..Hα-helixtrans-57.8-34.6177.670.60000112.9L131 V134 A135 M206 L277L131-V273 HydrophobicContact CB-CG2 4.37Å; L131-V273 HydrophobicContact CD2-CG2 4Å; L131-V273 VanDerWaalsContact O-CG2 3.23Å; L131-V273 WeakPolarHBondContact O-CG2 3.39Å; V134-V273 HydrophobicContact CB-CG2 4.13Å; V134-V273 HydrophobicContact CG1-CB 4.35Å; V134-V273 HydrophobicContact CG1-CG2 3.91Å; A135-V273 HydrophobicContact CB-CB 4.49Å; A135-V273 HydrophobicContact CB-CG1 3.93Å; A135-V273 HydrophobicContact CB-CG2 3.75Å; M206-V273 HydrophobicContact CE-CB 4.24Å; M206-V273 HydrophobicContact SD-CB 3.68Å; M206-V273 HydrophobicContact SD-CG2 4.11Å; V273-L277 WeakPolarHBondContact O-CG 3.33Å; V273-L277 PolarHBondContact O-N 3.25Å
274R97.3Very high96.5Very high201 Ų20160 Ų6076%0.75830%0.3SS*.Hα-helixtrans-67-42.4178-67-177.1-178.8178.31.3111.5S272 Q278S272-R274 PolarHBondContact O-N 3.19Å; R274-Q278 WeakPolarHBondContact O-CG 3.42Å; R274-Q278 PolarHBondContact O-N 2.86Å
275E98.3Very high95.6Very high107 Ų10766.7 Ų66.750%0.533%0.327SS..Hα-helixtrans-70.4-41.3178.1-64.3160.9134.800111.1L271 S272 L277 Q278 H279L271-E275 HydrophobicContact CD2-CB 3.57Å; L271-E275 HydrophobicContact CD2-CG 4.46Å; S272-E275 VanDerWaalsContact CB-OE2 3.29Å; S272-E275 WeakPolarHBondContact CB-OE2 3.17Å; S272-E275 PolarHBondContact N-OE2 3.32Å; S272-E275 PolarHBondContact O-N 3.42Å; S272-E275 VanDerWaalsContact O-N 3.14Å; S272-E275 VanDerWaalsContact OG-CD 3.24Å; S272-E275 VanDerWaalsContact OG-CG 3.28Å; S272-E275 WeakPolarHBondContact OG-CG 3.29Å; S272-E275 PolarHBondContact OG-N 3.09Å; S272-E275 PolarHBondContact OG-OE2 3.01Å; E275-L277 VanDerWaalsContact C-N 3.33Å; E275-L277 PolarHBondContact O-N 2.8Å; E275-Q278 PolarHBondContact O-N 3.41Å; E275-H279 PolarHBondContact O-N 3.45Å
276A98.4Very high94.9Very high0 Ų065 Ų650%032%0.322CS..Hα-helixtrans-60.3-40.3176.400000112.3L131 M206 L262 L271 S272 Q278 H279 V282L131-A276 HydrophobicContact CD1-CB 3.95Å; L131-A276 HydrophobicContact CD2-CB 3.85Å; M206-A276 HydrophobicContact CE-CB 3.81Å; L262-A276 HydrophobicContact CD2-CB 4.42Å; L271-A276 HydrophobicContact CB-CB 4.47Å; S272-A276 PolarHBondContact O-N 3.47Å; A276-Q278 PolarHBondContact O-N 2.98Å; A276-H279 WeakPolarHBondContact O-CB 3.46Å; A276-H279 PolarHBondContact O-N 2.98Å; A276-H279 VanDerWaalsContact O-N 3.08Å; A276-V282 WeakPolarHBondContact O-CG2 3.3Å
277L98.1Very high94Very high34 Ų3462.7 Ų62.718%0.17831%0.311CS..Hα-helixtrans-62.3-26.3174.9-79.1168.9000113.7L131 E132 A135 V273 E275 L283L131-L277 HydrophobicContact CB-CD2 3.54Å; L131-L277 HydrophobicContact CB-CG 3.9Å; L131-L277 HydrophobicContact CD1-CD2 4.45Å; E132-L277 HydrophobicContact CG-CD2 3.91Å; A135-L277 HydrophobicContact CB-CD1 3.93Å; V273-L277 WeakPolarHBondContact O-CG 3.33Å; V273-L277 PolarHBondContact O-N 3.25Å; E275-L277 VanDerWaalsContact C-N 3.33Å; E275-L277 PolarHBondContact O-N 2.8Å; L277-L283 WeakPolarHBondContact O-CD2 3.46Å
278Q98.1Very high93.4Very high134 Ų13465.5 Ų65.563%0.62632%0.318SS*.THydrogen-bonded Turntrans-89.7-2.9177-61.7-54.5-50.500113.2R274 E275 A276 L283R274-Q278 WeakPolarHBondContact O-CG 3.42Å; R274-Q278 PolarHBondContact O-N 2.86Å; E275-Q278 PolarHBondContact O-N 3.41Å; A276-Q278 PolarHBondContact O-N 2.98Å; Q278-L283 WeakPolarHBondContact O-CD1 3.4Å
279H98.4Very high93Very high15 Ų1563.3 Ų63.37%0.06931%0.307CS..  trans-63.2133.5-178.4-165.9-89000111.2N254 D257 L258 E275 A276 W281 V282 L283N254-H279 PolarHBondContact O-CE1 3.27Å; N254-H279 VanDerWaalsContact O-CE1 3.26Å; D257-H279 IonicContact OD2-CE1 3.89Å; D257-H279 IonicContact OD2-NE2 2.79Å; D257-H279 PolarHBondContact OD2-NE2 3.16Å; L258-H279 HydrophobicContact CD1-CB 4.04Å; E275-H279 PolarHBondContact O-N 3.45Å; A276-H279 WeakPolarHBondContact O-CB 3.46Å; A276-H279 PolarHBondContact O-N 2.98Å; A276-H279 VanDerWaalsContact O-N 3.08Å; H279-W281 WeakPolarHBondContact ND1-CB 3.5Å; H279-W281 PolarHBondContact ND1-N 2.73Å; H279-W281 PolarHBondContact O-N 3.12Å; H279-V282 HydrophobicContact CB-CB 4.41Å; H279-V282 HydrophobicContact CB-CG2 4.11Å; H279-V282 PolarHBondContact O-N 3.38Å; H279-L283 PolarHBondContact O-N 2.98Å
280P96.4Very high92.4Very high58 Ų5858.2 Ų58.238%0.37729%0.29SS..THydrogen-bonded Turntrans-54.6-33.6-175.9-28.635.1000114.7G284 K285 A286P280-G284 PolarHBondContact O-N 2.77Å; P280-K285 PolarHBondContact O-N 3.44Å; P280-A286 HydrophobicContact CB-CB 4.26Å; P280-A286 PolarHBondContact O-N 3.07Å
281W97.4Very high91.9Very high0 Ų060.2 Ų60.20%030%0.3CS..THydrogen-bonded Turntrans-66-45.4175.4-165.384.1000112.4E120 A123 A124 I127 L213 L217 N254 A255 L258 H279 L283 G284E120-W281 HydrophobicContact CB-CZ2 4.04Å; E120-W281 HydrophobicContact CG-CZ2 4.38Å; E120-W281 WeakPolarHBondContact O-CZ2 3.39Å; E120-W281 PolarHBondContact OE2-NE1 3.45Å; A123-W281 HydrophobicContact CB-CH2 3.74Å; A123-W281 HydrophobicContact CB-CZ2 4.12Å; A124-W281 VanDerWaalsContact CA-CH2 3.48Å; A124-W281 HydrophobicContact CB-CD2 4.12Å; A124-W281 HydrophobicContact CB-CE3 3.82Å; A124-W281 HydrophobicContact CB-CH2 3.77Å; A124-W281 HydrophobicContact CB-CZ2 4.02Å; A124-W281 HydrophobicContact CB-CZ3 3.66Å; A124-W281 WeakPolarHBondContact CB-O 3.32Å; A124-W281 VanDerWaalsContact N-CH2 3.28Å; I127-W281 HydrophobicContact CB-CZ3 4.31Å; I127-W281 HydrophobicContact CG1-CZ3 4.42Å; I127-W281 HydrophobicContact CG2-CZ3 4.49Å; L213-W281 HydrophobicContact CD1-CE3 4.42Å; L213-W281 HydrophobicContact CD1-CH2 3.42Å; L213-W281 VanDerWaalsContact CD1-CH2 3.42Å; L213-W281 HydrophobicContact CD1-CZ2 4.34Å; L213-W281 HydrophobicContact CD1-CZ3 3.47Å; L213-W281 VanDerWaalsContact CD1-CZ3 3.47Å; L217-W281 HydrophobicContact CD2-CH2 4.27Å; L217-W281 HydrophobicContact CD2-CZ2 3.79Å; N254-W281 HydrophobicContact CB-CB 4.14Å; A255-W281 HydrophobicContact CB-CD2 4.37Å; A255-W281 HydrophobicContact CB-CG 4.38Å; A255-W281 HydrophobicContact CB-CZ2 4.3Å; L258-W281 HydrophobicContact CD2-CD2 4.44Å; L258-W281 HydrophobicContact CD2-CE3 3.61Å; L258-W281 HydrophobicContact CD2-CZ3 4.19Å; H279-W281 WeakPolarHBondContact ND1-CB 3.5Å; H279-W281 PolarHBondContact ND1-N 2.73Å; H279-W281 PolarHBondContact O-N 3.12Å; W281-L283 VanDerWaalsContact C-N 3.34Å; W281-L283 PolarHBondContact O-N 3.18Å; W281-G284 PolarHBondContact O-N 3.21Å
282V96.6Very high91.4Very high5 Ų559.7 Ų59.73%0.0330%0.297CS..THydrogen-bonded Turntrans-67.7-35.6178.4178.80000111.4I127 K128 L131 L258 A276 H279 G284I127-V282 HydrophobicContact CG2-CG2 4.28Å; K128-V282 HydrophobicContact CB-CG1 3.86Å; K128-V282 HydrophobicContact CG-CG1 4.1Å; L131-V282 HydrophobicContact CD1-CG1 3.99Å; L131-V282 HydrophobicContact CD1-CG2 3.95Å; L258-V282 HydrophobicContact CD2-CG2 3.48Å; L258-V282 VanDerWaalsContact CD2-CG2 3.48Å; A276-V282 WeakPolarHBondContact O-CG2 3.3Å; H279-V282 HydrophobicContact CB-CB 4.41Å; H279-V282 HydrophobicContact CB-CG2 4.11Å; H279-V282 PolarHBondContact O-N 3.38Å; V282-G284 PolarHBondContact O-N 3.15Å; V282-G284 VanDerWaalsContact O-N 3.12Å
283L92Very high90.8Very high69 Ų6961.3 Ų61.336%0.36130%0.301SS..THydrogen-bonded Turntrans-68.1-4.7173.4-64.8178.7000113.3L277 Q278 H279 W281 K285L277-L283 WeakPolarHBondContact O-CD2 3.46Å; Q278-L283 WeakPolarHBondContact O-CD1 3.4Å; H279-L283 PolarHBondContact O-N 2.98Å; W281-L283 VanDerWaalsContact C-N 3.34Å; W281-L283 PolarHBondContact O-N 3.18Å; L283-K285 HydrophobicContact CB-CD 4.36Å; L283-K285 HydrophobicContact CB-CG 4.19Å; L283-K285 PolarHBondContact O-N 3.35Å
284G84.1Confident90.2Very high33 Ų3364.3 Ų64.334%0.3432%0.32SS..THydrogen-bonded Turntrans72.610.5-17900000114.2P280 W281 V282P280-G284 PolarHBondContact O-N 2.77Å; W281-G284 PolarHBondContact O-N 3.21Å; V282-G284 PolarHBondContact O-N 3.15Å; V282-G284 VanDerWaalsContact O-N 3.12Å
285K80.8Confident89.8Confident172 Ų17255 Ų5575%0.74829%0.285SS*.SBendtrans-81.2-19.3-179.7-64.7-179.8179.9176.50112.9P280 L283P280-K285 PolarHBondContact O-N 3.44Å; L283-K285 HydrophobicContact CB-CD 4.36Å; L283-K285 HydrophobicContact CB-CG 4.19Å; L283-K285 PolarHBondContact O-N 3.35Å
286A80.5Confident89.2Confident28 Ų2851 Ų5123%0.23127%0.267CS..SBendtrans-131.26-174.400000114.3N254 P280N254-A286 HydrophobicContact CB-CB 3.77Å; P280-A286 HydrophobicContact CB-CB 4.26Å; P280-A286 PolarHBondContact O-N 3.07Å
287A78.7Confident88.7Confident7 Ų758 Ų586%0.05829%0.293CS..  trans-82.5135.7179.300000111E120 R121 A124E120-A287 HydrophobicContact CB-CB 4.26Å; R121-A287 HydrophobicContact CB-CB 4.43Å; A124-A287 HydrophobicContact CB-CB 4.08Å
288R82.9Confident88.3Confident86 Ų8659.1 Ų59.133%0.32530%0.297SS..  trans-72149.6178.5-69178.666.6160.4-0.5112.2E120 R121 E250 S290E120-R288 HydrophobicContact CB-CB 4.22Å; E120-R288 HydrophobicContact CG-CB 4.32Å; E120-R288 PolarHBondContact N-O 3.47Å; R121-R288 PolarHBondContact N-O 2.98Å; R121-R288 VanDerWaalsContact N-O 3.13Å; E250-R288 WeakPolarHBondContact O-CD 3.34Å; E250-R288 PolarHBondContact O-NH1 3.15Å; E250-R288 IonicContact OE2-CZ 3.48Å; E250-R288 VanDerWaalsContact OE2-CZ 3.31Å; E250-R288 IonicContact OE2-NH1 3.72Å; E250-R288 PolarHBondContact OE2-NH1 3.09Å; E250-R288 IonicContact OE2-NH2 2.86Å; E250-R288 PolarHBondContact OE2-NH2 3.35Å; R288-S290 PolarHBondContact NE-OG 3.39Å; R288-S290 PolarHBondContact NH2-OG 2.75Å
289F85Confident87.9Confident124 Ų12452.8 Ų52.854%0.54427%0.267SS..  trans-105.14.8175.7-59.9-107.8000112.2Y117Y117-F289 PolarHBondContact OH-O 3.2Å
290S85.9Confident87.5Confident47 Ų4757.5 Ų57.533%0.32929%0.289SS..SBendtrans-72.8140.8176.345.40000109.8S119 R288S119-S290 WeakPolarHBondContact CB-O 3.25Å; R288-S290 PolarHBondContact NE-OG 3.39Å; R288-S290 PolarHBondContact NH2-OG 2.75Å
291H87.9Confident87.2Confident52 Ų5259.9 Ų59.924%0.24130%0.295CS..  trans-63.1138.7173.3-170.329.6000110.7G116 Y117 Y118 D293 Q296G116-H291 PolarHBondContact O-CE1 3.4Å; G116-H291 PolarHBondContact O-NE2 3.21Å; Y117-H291 VanDerWaalsContact CA-CE1 3.43Å; Y117-H291 WeakPolarHBondContact CA-CE1 3.12Å; Y117-H291 HydrophobicContact CD2-CB 3.79Å; Y117-H291 AromaticContact CD2-CG 3.64Å; Y117-H291 AromaticContact CD2-ND1 3.6Å; Y117-H291 HydrophobicContact CE2-CB 3.55Å; Y117-H291 AromaticContact CE2-CG 3.93Å; Y117-H291 AromaticContact CG-ND1 3.94Å; Y118-H291 PolarHBondContact N-CE1 2.64Å; Y118-H291 PolarHBondContact N-ND1 3.09Å; Y118-H291 WeakPolarHBondContact O-CA 3.43Å; Y118-H291 PolarHBondContact O-ND1 3.5Å; H291-D293 IonicContact CD2-OD1 3.15Å; H291-D293 PolarHBondContact CD2-OD1 2.86Å; H291-D293 IonicContact CD2-OD2 3.17Å; H291-D293 PolarHBondContact CD2-OD2 2.65Å; H291-D293 IonicContact CG-OD2 3.95Å; H291-D293 IonicContact NE2-OD1 3.12Å; H291-D293 PolarHBondContact NE2-OD1 3.49Å; H291-D293 VanDerWaalsContact NE2-OD1 3.12Å; H291-D293 IonicContact NE2-OD2 3.87Å; H291-Q296 PolarHBondContact CE1-OE1 2.84Å
292M87.5Confident86.7Confident18 Ų1860.6 Ų60.69%0.08930%0.298CS..  trans-108.663.5-179.7-60.4172.273.300111.5Y118 E120 L217 V251 T294 T295 Q296Y118-M292 HydrophobicContact CD1-CB 4.42Å; Y118-M292 HydrophobicContact CE1-SD 4.43Å; Y118-M292 PolarHBondContact O-N 2.88Å; E120-M292 HydrophobicContact CG-CE 4.42Å; E120-M292 HydrophobicContact CG-SD 3.91Å; E120-M292 PolarHBondContact N-SD 3.16Å; E120-M292 VanDerWaalsContact N-SD 3.42Å; L217-M292 WeakPolarHBondContact O-CE 3.3Å; V251-M292 HydrophobicContact CG2-CE 4.4Å; M292-T294 VanDerWaalsContact C-N 3.33Å; M292-T294 PolarHBondContact O-N 3.15Å; M292-T295 HydrophobicContact CE-CG2 4.02Å; M292-T295 WeakPolarHBondContact CE-OG1 3.48Å; M292-T295 WeakPolarHBondContact O-CB 3.48Å; M292-T295 PolarHBondContact O-N 3.36Å; M292-T295 VanDerWaalsContact O-N 3.11Å; M292-Q296 PolarHBondContact O-N 3.21Å
293D84.4Confident86.2Confident85 Ų8560.8 Ų60.846%0.45530%0.299SS..Hα-helixtrans-51.6-46.7-177.5-70.9-84.3000113.6H291 T295 Q296 R297H291-D293 IonicContact CD2-OD1 3.15Å; H291-D293 PolarHBondContact CD2-OD1 2.86Å; H291-D293 IonicContact CD2-OD2 3.17Å; H291-D293 PolarHBondContact CD2-OD2 2.65Å; H291-D293 IonicContact CG-OD2 3.95Å; H291-D293 IonicContact NE2-OD1 3.12Å; H291-D293 PolarHBondContact NE2-OD1 3.49Å; H291-D293 VanDerWaalsContact NE2-OD1 3.12Å; H291-D293 IonicContact NE2-OD2 3.87Å; D293-T295 VanDerWaalsContact C-N 3.32Å; D293-T295 PolarHBondContact O-N 2.71Å; D293-Q296 PolarHBondContact O-N 3.36Å; D293-R297 PolarHBondContact O-N 3.16Å; D293-R297 VanDerWaalsContact O-N 3.11Å
294T86.3Confident86Confident75 Ų7560.5 Ų60.546%0.4631%0.307SS..Hα-helixtrans-63.6-40-178.950.30000111.5M292 K298M292-T294 VanDerWaalsContact C-N 3.33Å; M292-T294 PolarHBondContact O-N 3.15Å; T294-K298 WeakPolarHBondContact O-CG 3Å; T294-K298 PolarHBondContact O-N 2.96Å; T294-K298 VanDerWaalsContact O-N 3.08Å
295T87.3Confident86.1Confident5 Ų564.4 Ų64.43%0.03131%0.311CS..Hα-helixtrans-67.9-43.7178.3-61.50000110.7Y118 L217 M292 D293 R297 K298 L299Y118-T295 HydrophobicContact CD1-CG2 4.44Å; Y118-T295 HydrophobicContact CE1-CG2 4.08Å; L217-T295 WeakPolarHBondContact O-CG2 3.14Å; L217-T295 PolarHBondContact O-OG1 3.38Å; M292-T295 HydrophobicContact CE-CG2 4.02Å; M292-T295 WeakPolarHBondContact CE-OG1 3.48Å; M292-T295 WeakPolarHBondContact O-CB 3.48Å; M292-T295 PolarHBondContact O-N 3.36Å; M292-T295 VanDerWaalsContact O-N 3.11Å; D293-T295 VanDerWaalsContact C-N 3.32Å; D293-T295 PolarHBondContact O-N 2.71Å; T295-R297 VanDerWaalsContact C-N 3.34Å; T295-R297 PolarHBondContact O-N 2.66Å; T295-K298 CarbonylContact O-C 3.6Å; T295-K298 PolarHBondContact O-N 3.44Å; T295-K298 VanDerWaalsContact O-N 3.12Å; T295-L299 HydrophobicContact CG2-CD1 3.97Å; T295-L299 HydrophobicContact CG2-CG 4.28Å; T295-L299 VanDerWaalsContact O-CG 3.31Å; T295-L299 WeakPolarHBondContact O-CG 3.44Å; T295-L299 PolarHBondContact O-N 3.48Å
296Q86.4Confident86.4Confident23 Ų2357.3 Ų57.311%0.10728%0.28CS..Hα-helixtrans-60.8-42.6178.1-165.7178.125.700112I112 V113 G116 H291 M292 D293 K298 L299 Q300I112-Q296 PolarHBondContact O-NE2 2.61Å; V113-Q296 PolarHBondContact O-NE2 3.39Å; G116-Q296 PolarHBondContact O-OE1 3.29Å; H291-Q296 PolarHBondContact CE1-OE1 2.84Å; M292-Q296 PolarHBondContact O-N 3.21Å; D293-Q296 PolarHBondContact O-N 3.36Å; Q296-K298 PolarHBondContact O-N 2.98Å; Q296-L299 PolarHBondContact O-N 3.26Å; Q296-Q300 PolarHBondContact O-N 3.13Å
297R88.3Confident86.7Confident147 Ų14760.1 Ų60.156%0.55529%0.287SS*.Hα-helixtrans-61.2-42.2173-73.8-167.2-69.9-105.71.2112.4D293 T295 Q300 E301D293-R297 PolarHBondContact O-N 3.16Å; D293-R297 VanDerWaalsContact O-N 3.11Å; T295-R297 VanDerWaalsContact C-N 3.34Å; T295-R297 PolarHBondContact O-N 2.66Å; R297-Q300 WeakPolarHBondContact O-CB 3.49Å; R297-Q300 PolarHBondContact O-N 3.27Å; R297-E301 PolarHBondContact O-N 3.31Å; R297-E301 VanDerWaalsContact O-N 3.09Å
298K89.9Confident87Confident59 Ų5965 Ų6526%0.25731%0.312SS..Hα-helixtrans-67.2-37.7176.7-71.7-51.7-172.6-165.90112.9C218 G219 T294 T295 Q296 Q300 E301 F302C218-K298 WeakPolarHBondContact O-CB 3.44Å; G219-K298 CarbonylContact O-C 3.54Å; G219-K298 VanDerWaalsContact O-O 3.14Å; T294-K298 WeakPolarHBondContact O-CG 3Å; T294-K298 PolarHBondContact O-N 2.96Å; T294-K298 VanDerWaalsContact O-N 3.08Å; T295-K298 CarbonylContact O-C 3.6Å; T295-K298 PolarHBondContact O-N 3.44Å; T295-K298 VanDerWaalsContact O-N 3.12Å; Q296-K298 PolarHBondContact O-N 2.98Å; K298-Q300 VanDerWaalsContact C-N 3.27Å; K298-Q300 PolarHBondContact O-N 3.44Å; K298-E301 VanDerWaalsContact CD-OE2 3.31Å; K298-E301 WeakPolarHBondContact CD-OE2 3.47Å; K298-E301 IonicContact NZ-OE1 2.66Å; K298-E301 PolarHBondContact NZ-OE1 3.47Å; K298-E301 IonicContact NZ-OE2 3.31Å; K298-E301 PolarHBondContact NZ-OE2 3.35Å; K298-E301 PolarHBondContact O-N 3.48Å; K298-F302 WeakPolarHBondContact O-CB 3.47Å; K298-F302 PolarHBondContact O-N 2.71Å
299L89.7Confident86.9Confident0 Ų064.7 Ų64.70%031%0.312CS..Hα-helixtrans-60.3-38.6172.1-71.4168.2000111.6F109 I112 V113 Y118 I215 T295 Q296 F302 N303F109-L299 HydrophobicContact CD1-CD2 3.53Å; F109-L299 HydrophobicContact CE1-CD2 3.51Å; I112-L299 HydrophobicContact CG2-CD1 3.66Å; V113-L299 HydrophobicContact CG2-CB 4.25Å; Y118-L299 HydrophobicContact CD1-CD1 4.23Å; Y118-L299 HydrophobicContact CE1-CD1 3.85Å; I215-L299 HydrophobicContact CG2-CD2 4.03Å; I215-L299 WeakPolarHBondContact O-CD2 3.42Å; T295-L299 HydrophobicContact CG2-CD1 3.97Å; T295-L299 HydrophobicContact CG2-CG 4.28Å; T295-L299 VanDerWaalsContact O-CG 3.31Å; T295-L299 WeakPolarHBondContact O-CG 3.44Å; T295-L299 PolarHBondContact O-N 3.48Å; Q296-L299 PolarHBondContact O-N 3.26Å; L299-F302 PolarHBondContact O-N 2.83Å; L299-N303 WeakPolarHBondContact O-CB 3.37Å; L299-N303 PolarHBondContact O-N 2.66Å
300Q88.9Confident86.5Confident115 Ų11561.5 Ų61.554%0.53731%0.309SS..Hα-helixtrans-63.1-47.7174.3-173.2177.114.100112V113 Q296 R297 K298 N303 A304V113-Q300 HydrophobicContact CG1-CB 3.89Å; V113-Q300 HydrophobicContact CG1-CG 3.82Å; V113-Q300 HydrophobicContact CG2-CB 3.91Å; Q296-Q300 PolarHBondContact O-N 3.13Å; R297-Q300 WeakPolarHBondContact O-CB 3.49Å; R297-Q300 PolarHBondContact O-N 3.27Å; K298-Q300 VanDerWaalsContact C-N 3.27Å; K298-Q300 PolarHBondContact O-N 3.44Å; Q300-N303 PolarHBondContact O-N 2.74Å; Q300-A304 WeakPolarHBondContact O-CB 3.49Å; Q300-A304 PolarHBondContact O-N 3.11Å
301E90.1Very high86.2Confident107 Ų10762 Ų6250%0.532%0.316SS..Hα-helixtrans-59.3-46.7175.3-69.2174.5-157.600111.7R297 K298 N303 A304 R305R297-E301 PolarHBondContact O-N 3.31Å; R297-E301 VanDerWaalsContact O-N 3.09Å; K298-E301 VanDerWaalsContact CD-OE2 3.31Å; K298-E301 WeakPolarHBondContact CD-OE2 3.47Å; K298-E301 IonicContact NZ-OE1 2.66Å; K298-E301 PolarHBondContact NZ-OE1 3.47Å; K298-E301 IonicContact NZ-OE2 3.31Å; K298-E301 PolarHBondContact NZ-OE2 3.35Å; K298-E301 PolarHBondContact O-N 3.48Å; E301-N303 PolarHBondContact O-N 2.78Å; E301-A304 PolarHBondContact O-N 3.39Å; E301-R305 WeakPolarHBondContact O-CB 3.04Å; E301-R305 PolarHBondContact O-N 3.09Å
302F87.8Confident85.6Confident16 Ų1665 Ų657%0.0733%0.332CS..Hα-helixtrans-58.1-48.4177.7164.1-100.5000111.5F109 P149 Y189 I215 G219 E221 K298 L299 R305 R306F109-F302 HydrophobicContact CD1-CD1 4.21Å; F109-F302 HydrophobicContact CD1-CE1 4.08Å; F109-F302 HydrophobicContact CE1-CD1 4.47Å; F109-F302 HydrophobicContact CE1-CE1 4.13Å; F109-F302 HydrophobicContact CG-CE1 4.27Å; F109-F302 HydrophobicContact CZ-CE1 4.35Å; P149-F302 HydrophobicContact CG-CE1 4.44Å; P149-F302 HydrophobicContact CG-CZ 4.19Å; Y189-F302 WeakPolarHBondContact OH-CZ 3.22Å; I215-F302 HydrophobicContact CD1-CE2 4.35Å; I215-F302 HydrophobicContact CD1-CZ 4.11Å; I215-F302 HydrophobicContact CG2-CD1 4.02Å; I215-F302 HydrophobicContact CG2-CE1 3.89Å; I215-F302 HydrophobicContact CG2-CE2 4.41Å; I215-F302 HydrophobicContact CG2-CG 4.34Å; I215-F302 HydrophobicContact CG2-CZ 4.09Å; G219-F302 VanDerWaalsContact O-CB 3.29Å; G219-F302 WeakPolarHBondContact O-CB 3.44Å; E221-F302 HydrophobicContact CG-CD2 4.16Å; E221-F302 HydrophobicContact CG-CE2 3.58Å; K298-F302 WeakPolarHBondContact O-CB 3.47Å; K298-F302 PolarHBondContact O-N 2.71Å; L299-F302 PolarHBondContact O-N 2.83Å; F302-R305 PolarHBondContact O-N 2.66Å; F302-R306 WeakPolarHBondContact O-CB 3.31Å; F302-R306 PolarHBondContact O-N 3.36Å
303N86.3Confident84.8Confident9 Ų969.6 Ų69.65%0.04835%0.351CS..Hα-helixtrans-65.9-42.8-177.8-169.113.7000111.8F109 D110 L299 Q300 E301 R305 R306 K307F109-N303 HydrophobicContact CB-CB 4.48Å; D110-N303 PolarHBondContact N-ND2 3.11Å; D110-N303 PolarHBondContact OD1-ND2 3.42Å; L299-N303 WeakPolarHBondContact O-CB 3.37Å; L299-N303 PolarHBondContact O-N 2.66Å; Q300-N303 PolarHBondContact O-N 2.74Å; E301-N303 PolarHBondContact O-N 2.78Å; N303-R305 PolarHBondContact O-N 3.39Å; N303-R306 PolarHBondContact O-N 3.26Å; N303-R306 PolarHBondContact OD1-NH2 2.91Å; N303-K307 WeakPolarHBondContact O-CG 3.2Å; N303-K307 PolarHBondContact O-N 3.44Å
304A87.6Confident84.1Confident63 Ų6368.1 Ų68.152%0.52135%0.351SS..Hα-helixtrans-59.3-46.1173.500000111.8Q300 E301 R306 K307 L308Q300-A304 WeakPolarHBondContact O-CB 3.49Å; Q300-A304 PolarHBondContact O-N 3.11Å; E301-A304 PolarHBondContact O-N 3.39Å; A304-R306 PolarHBondContact O-N 3.13Å; A304-K307 PolarHBondContact O-N 3.49Å; A304-L308 WeakPolarHBondContact O-CB 3.31Å; A304-L308 PolarHBondContact O-N 3.12Å
305R86.9Confident83.4Confident114 Ų11468.8 Ų68.843%0.4336%0.355SS..Hα-helixtrans-62.1-42.6177.9-174.2178.3-173.3-175.1-0.6112.1F224 E301 F302 N303 L308 K309F224-R305 VanDerWaalsContact CE2-CZ 3.47Å; E301-R305 WeakPolarHBondContact O-CB 3.04Å; E301-R305 PolarHBondContact O-N 3.09Å; F302-R305 PolarHBondContact O-N 2.66Å; N303-R305 PolarHBondContact O-N 3.39Å; R305-L308 PolarHBondContact O-N 2.72Å; R305-K309 WeakPolarHBondContact O-CG 3.49Å; R305-K309 PolarHBondContact O-N 2.71Å
306R86.6Confident82.6Confident23 Ų2372.1 Ų72.19%0.08738%0.375CS..Hα-helixtrans-63.4-47.7179-176.1-17663.988.83.5111.4E107 E150 F302 N303 A304 L308 K309 A310E107-R306 IonicContact OE1-NH2 3.46Å; E107-R306 IonicContact OE2-CZ 3.9Å; E107-R306 IonicContact OE2-NH1 2.78Å; E107-R306 PolarHBondContact OE2-NH1 3.22Å; E107-R306 IonicContact OE2-NH2 3.03Å; E107-R306 PolarHBondContact OE2-NH2 3.11Å; E150-R306 VanDerWaalsContact OE1-CD 3.31Å; E150-R306 WeakPolarHBondContact OE1-CD 3.38Å; E150-R306 IonicContact OE1-NH1 3.66Å; E150-R306 PolarHBondContact OE1-NH1 3.14Å; F302-R306 WeakPolarHBondContact O-CB 3.31Å; F302-R306 PolarHBondContact O-N 3.36Å; N303-R306 PolarHBondContact O-N 3.26Å; N303-R306 PolarHBondContact OD1-NH2 2.91Å; A304-R306 PolarHBondContact O-N 3.13Å; R306-L308 PolarHBondContact O-N 3.2Å; R306-K309 PolarHBondContact O-N 3.43Å; R306-A310 PolarHBondContact O-N 3.02Å
307K85.9Confident81.5Confident87 Ų8773.3 Ų73.338%0.37839%0.389SS..Hα-helixtrans-62.4-40.5176.8-72.9-177174.1-179.20112.3D110 N303 A304 A310 A311D110-K307 IonicContact OD1-NZ 3.57Å; D110-K307 PolarHBondContact OD1-NZ 3.41Å; D110-K307 IonicContact OD2-NZ 2.7Å; D110-K307 PolarHBondContact OD2-NZ 3.2Å; N303-K307 WeakPolarHBondContact O-CG 3.2Å; N303-K307 PolarHBondContact O-N 3.44Å; A304-K307 PolarHBondContact O-N 3.49Å; K307-A310 PolarHBondContact O-N 3.04Å; K307-A311 PolarHBondContact O-N 3.34Å
308L85.3Confident80.3Confident111 Ų11169.9 Ų69.958%0.58138%0.384SS*.Hα-helixtrans-61.9-47.2174.6-178.363.3000111.9A304 R305 R306 A310 A311 M312A304-L308 WeakPolarHBondContact O-CB 3.31Å; A304-L308 PolarHBondContact O-N 3.12Å; R305-L308 PolarHBondContact O-N 2.72Å; R306-L308 PolarHBondContact O-N 3.2Å; L308-A310 VanDerWaalsContact C-N 3.29Å; L308-A310 PolarHBondContact O-N 3.39Å; L308-A311 PolarHBondContact O-N 3.08Å; L308-M312 HydrophobicContact CD1-CG 4.46Å; L308-M312 HydrophobicContact CG-SD 4.19Å; L308-M312 WeakPolarHBondContact O-CG 3.39Å; L308-M312 PolarHBondContact O-N 3.48Å
309K80.6Confident78.7Confident78 Ų7870.2 Ų70.234%0.33939%0.394SS..Hα-helixtrans-58-42.3175.6-76.4-179.8179.8-178.50111.6R305 R306 M312 K313R305-K309 WeakPolarHBondContact O-CG 3.49Å; R305-K309 PolarHBondContact O-N 2.71Å; R306-K309 PolarHBondContact O-N 3.43Å; K309-M312 PolarHBondContact O-N 3.4Å; K309-K313 WeakPolarHBondContact O-CG 3.5Å; K309-K313 PolarHBondContact O-N 2.8Å
310A76.8Confident77.1Confident58 Ų5878.9 Ų78.948%0.47943%0.426SS..Hα-helixtrans-63.5-46.217800000111.9R306 K307 L308 M312 K313 A314R306-A310 PolarHBondContact O-N 3.02Å; K307-A310 PolarHBondContact O-N 3.04Å; L308-A310 VanDerWaalsContact C-N 3.29Å; L308-A310 PolarHBondContact O-N 3.39Å; A310-M312 PolarHBondContact O-N 3.25Å; A310-K313 PolarHBondContact O-N 2.89Å; A310-A314 PolarHBondContact O-N 2.68Å
311A79.5Confident75.3Confident57 Ų5779.7 Ų79.747%0.47143%0.432SS..Hα-helixtrans-60.8-44.3176.500000112.2K307 L308 K313 A314 V315K307-A311 PolarHBondContact O-N 3.34Å; L308-A311 PolarHBondContact O-N 3.08Å; A311-K313 PolarHBondContact O-N 3.34Å; A311-A314 WeakPolarHBondContact O-CB 3.47Å; A311-A314 PolarHBondContact O-N 2.9Å; A311-V315 WeakPolarHBondContact O-CG2 3.43Å; A311-V315 PolarHBondContact O-N 3.47Å; A311-V315 VanDerWaalsContact O-N 3.08Å
312M76.4Confident73.4Confident116 Ų11680.9 Ų80.957%0.57144%0.437SS*.Hα-helixtrans-61.8-43.5176.7-69.717674.800112.2L308 K309 A310 A314 V315 V316L308-M312 HydrophobicContact CD1-CG 4.46Å; L308-M312 HydrophobicContact CG-SD 4.19Å; L308-M312 WeakPolarHBondContact O-CG 3.39Å; L308-M312 PolarHBondContact O-N 3.48Å; K309-M312 PolarHBondContact O-N 3.4Å; A310-M312 PolarHBondContact O-N 3.25Å; M312-A314 VanDerWaalsContact C-N 3.31Å; M312-A314 PolarHBondContact O-N 3.23Å; M312-V315 PolarHBondContact O-N 3.47Å; M312-V316 WeakPolarHBondContact O-CG2 3.24Å; M312-V316 PolarHBondContact O-N 3.18Å
313K69.2Low71.3Confident113 Ų11386.4 Ų86.449%0.49146%0.463SS..Hα-helixtrans-60.5-40.7175.8-77-179.3179-175.80111.6K309 A310 A311 V316 A317K309-K313 WeakPolarHBondContact O-CG 3.5Å; K309-K313 PolarHBondContact O-N 2.8Å; A310-K313 PolarHBondContact O-N 2.89Å; A311-K313 PolarHBondContact O-N 3.34Å; K313-V316 PolarHBondContact O-N 3.44Å; K313-A317 WeakPolarHBondContact O-CB 3.37Å; K313-A317 PolarHBondContact O-N 2.86Å
314A69.9Low69.2Low54 Ų5488 Ų8845%0.44648%0.482SS..Hα-helixtrans-62.6-42.4176.900000112.1A310 A311 M312 A317 T318A310-A314 PolarHBondContact O-N 2.68Å; A311-A314 WeakPolarHBondContact O-CB 3.47Å; A311-A314 PolarHBondContact O-N 2.9Å; M312-A314 VanDerWaalsContact C-N 3.31Å; M312-A314 PolarHBondContact O-N 3.23Å; A314-A317 PolarHBondContact O-N 3.1Å; A314-T318 WeakPolarHBondContact O-CG2 3.47Å; A314-T318 PolarHBondContact O-N 3.23Å; A314-T318 PolarHBondContact O-OG1 3.09Å
315V73.1Confident67Low90 Ų9089 Ų8955%0.54549%0.485SS..Hα-helixtrans-63-44.8176174.80000111.8A311 M312 A317 T318 S319A311-V315 WeakPolarHBondContact O-CG2 3.43Å; A311-V315 PolarHBondContact O-N 3.47Å; A311-V315 VanDerWaalsContact O-N 3.08Å; M312-V315 PolarHBondContact O-N 3.47Å; V315-A317 VanDerWaalsContact C-N 3.31Å; V315-A317 PolarHBondContact O-N 3.24Å; V315-T318 PolarHBondContact O-N 3.11Å; V315-T318 PolarHBondContact O-OG1 2.67Å; V315-S319 PolarHBondContact O-N 2.82Å; V315-S319 PolarHBondContact O-OG 2.66Å; V315-S319 VanDerWaalsContact O-OG 3.13Å
316V70.1Confident64.7Low75 Ų7592.4 Ų92.446%0.45550%0.498SS..Hα-helixtrans-64.3-38.7178.3174.20000111.4M312 K313 S319 R320M312-V316 WeakPolarHBondContact O-CG2 3.24Å; M312-V316 PolarHBondContact O-N 3.18Å; K313-V316 PolarHBondContact O-N 3.44Å; V316-S319 PolarHBondContact O-N 2.87Å; V316-R320 WeakPolarHBondContact O-CG 3.28Å; V316-R320 PolarHBondContact O-N 2.93Å; V316-R320 VanDerWaalsContact O-N 3.1Å
317A62.5Low62.5Low48 Ų48101.7 Ų101.740%0.39753%0.533SS..Hα-helixtrans-63.1-42.5176.800000111.9K313 A314 V315 R320 M321K313-A317 WeakPolarHBondContact O-CB 3.37Å; K313-A317 PolarHBondContact O-N 2.86Å; A314-A317 PolarHBondContact O-N 3.1Å; V315-A317 VanDerWaalsContact C-N 3.31Å; V315-A317 PolarHBondContact O-N 3.24Å; A317-R320 PolarHBondContact O-N 2.75Å; A317-M321 WeakPolarHBondContact O-CG 3.44Å; A317-M321 PolarHBondContact O-N 2.62Å; A317-M321 VanDerWaalsContact O-N 3.14Å
318T63.4Low60.2Low74 Ų74108.1 Ų108.145%0.45456%0.555SS.*Hα-helixtrans-68.8-36178.355.60000112.7A314 V315 M321 H322A314-T318 WeakPolarHBondContact O-CG2 3.47Å; A314-T318 PolarHBondContact O-N 3.23Å; A314-T318 PolarHBondContact O-OG1 3.09Å; V315-T318 PolarHBondContact O-N 3.11Å; V315-T318 PolarHBondContact O-OG1 2.67Å; T318-M321 PolarHBondContact O-N 3.48Å; T318-H322 PolarHBondContact O-N 3.5Å; T318-H322 VanDerWaalsContact O-N 3.14Å
319S56.1Low58Low66 Ų66108.1 Ų108.146%0.46256%0.559SS.*Hα-helixtrans-64.3-42.9174.2-58.50000112.6V315 V316 M321 H322 E323V315-S319 PolarHBondContact O-N 2.82Å; V315-S319 PolarHBondContact O-OG 2.66Å; V315-S319 VanDerWaalsContact O-OG 3.13Å; V316-S319 PolarHBondContact O-N 2.87Å; S319-M321 VanDerWaalsContact C-N 3.33Å; S319-M321 PolarHBondContact O-N 3.4Å; S319-H322 PolarHBondContact O-N 3.28Å; S319-E323 PolarHBondContact O-N 2.97Å; S319-E323 VanDerWaalsContact O-N 3.1Å
320R55.8Low55.8Low182 Ų182111.3 Ų111.369%0.68758%0.58SS**Hα-helixtrans-65.6-34.1176.9-73.5-179.1178.1-174.60112.8V316 A317 G324V316-R320 WeakPolarHBondContact O-CG 3.28Å; V316-R320 PolarHBondContact O-N 2.93Å; V316-R320 VanDerWaalsContact O-N 3.1Å; A317-R320 PolarHBondContact O-N 2.75Å; R320-G324 PolarHBondContact O-N 3.22Å
321M51.3Low54Low133 Ų133113.7 Ų113.766%0.65559%0.593SS**Hα-helixtrans-66-37.7172.9-72.1-177.1175.900112A317 T318 S319 G324 S325A317-M321 WeakPolarHBondContact O-CG 3.44Å; A317-M321 PolarHBondContact O-N 2.62Å; A317-M321 VanDerWaalsContact O-N 3.14Å; T318-M321 PolarHBondContact O-N 3.48Å; S319-M321 VanDerWaalsContact C-N 3.33Å; S319-M321 PolarHBondContact O-N 3.4Å; M321-G324 PolarHBondContact O-N 3.45Å; M321-S325 PolarHBondContact O-N 3.11Å; M321-S325 VanDerWaalsContact O-N 3.13Å
322H50.7Low51.8Low131 Ų131117.1 Ų117.161%0.60661%0.612SS**Hα-helixtrans-67.8-38.9176.1-96.273.2000113.1T318 S319 S325 R326T318-H322 PolarHBondContact O-N 3.5Å; T318-H322 VanDerWaalsContact O-N 3.14Å; S319-H322 PolarHBondContact O-N 3.28Å; H322-S325 PolarHBondContact O-N 3.38Å; H322-R326 PolarHBondContact O-N 3.46Å; H322-R326 VanDerWaalsContact O-N 3.09Å
323E43.4Very low49.6Very low132 Ų132120.6 Ų120.662%0.61763%0.627SS**Hα-helixtrans-69.3-36.2175-78.5-179.2153.900112.9S319 S325 R326 R327S319-E323 PolarHBondContact O-N 2.97Å; S319-E323 VanDerWaalsContact O-N 3.1Å; E323-S325 VanDerWaalsContact C-N 3.29Å; E323-S325 PolarHBondContact O-N 2.61Å; E323-R326 PolarHBondContact O-N 2.86Å; E323-R327 PolarHBondContact O-N 3.12Å
324G42Very low47.8Very low44 Ų44123.8 Ų123.845%0.45465%0.646SS.*Hα-helixtrans-65.5-31.1173.500000113.4R320 M321R320-G324 PolarHBondContact O-N 3.22Å; M321-G324 PolarHBondContact O-N 3.45Å
325S41.4Very low46.5Very low82 Ų82126.9 Ų126.957%0.57366%0.661SS**Hα-helixtrans-77.3-35.9176-144.50000112.3M321 H322 E323 R327 R328M321-S325 PolarHBondContact O-N 3.11Å; M321-S325 VanDerWaalsContact O-N 3.13Å; H322-S325 PolarHBondContact O-N 3.38Å; E323-S325 VanDerWaalsContact C-N 3.29Å; E323-S325 PolarHBondContact O-N 2.61Å; S325-R327 VanDerWaalsContact C-N 3.29Å; S325-R327 PolarHBondContact O-N 3.15Å; S325-R328 PolarHBondContact O-N 3.38Å
326R39.7Very low44.4Very low186 Ų186126.4 Ų126.470%0.70268%0.675SS**Hα-helixtrans-67-24.8175.2-77.9-179175.5172.7-1114H322 E323 R328 T329H322-R326 PolarHBondContact O-N 3.46Å; H322-R326 VanDerWaalsContact O-N 3.09Å; E323-R326 PolarHBondContact O-N 2.86Å; R326-R328 VanDerWaalsContact C-N 3.33Å; R326-T329 PolarHBondContact O-OG1 3.17Å
327R40.6Very low42.5Very low219 Ų219128.7 Ų128.783%0.82669%0.694SS**THydrogen-bonded Turntrans-81.9-5.2174.8-73.3-175.1-179.8178.11.6114.4E323 S325E323-R327 PolarHBondContact O-N 3.12Å; S325-R327 VanDerWaalsContact C-N 3.29Å; S325-R327 PolarHBondContact O-N 3.15Å
328R37.5Very low40.8Very low222 Ų222129.6 Ų129.684%0.83871%0.708SS**THydrogen-bonded Turntrans-101.9-0.7177.3-83.8-172.3173.8-168.7-1.1114.5S325 R326S325-R328 PolarHBondContact O-N 3.38Å; R326-R328 VanDerWaalsContact C-N 3.33Å
329T37.2Very low39.2Very low110 Ų110133.4 Ų133.468%0.67573%0.731SS**SBendtrans-102.8-5.6178.5510000115.2R326R326-T329 PolarHBondContact O-OG1 3.17Å
330D36.4Very low37.9Very low145 Ų145135.5 Ų135.578%0.77575%0.746SS**SBendtrans-110.773.6175.2-79.4-17.6000111.1
331S36.9Very low36.7Very low109 Ų109137.7 Ų137.776%0.76276%0.755SS**  trans-175.768.615735.70000111.2
332C34Very low35.7Very low128 Ų128139.8 Ų139.887%0.86576%0.763SS**  trans-157.586.4153.5-143.40000109.4
333E30.1Very low34.7Very low189 Ų189138.6 Ų138.688%0.88377%0.769SS**  trans-165.2117.7155.7-113.3172.1-163.400111.1
334M31.1Very low34.1Very low180 Ų180136.8 Ų136.889%0.88777%0.771SS**  trans-157.2159156.1-72.5-54.1-76.500107.4
335P43.5Very low33.5Very low119 Ų119142.3 Ų142.377%0.77379%0.789SS**  cis-130.4158.3-34.834.8-18.4000112.4
336G28.6Very low33Very low80 Ų80147.7 Ų147.783%0.82581%0.805SS**  trans-148.4126.2175.700000113.1
337S29.3Very low32.7Very low123 Ų123147.4 Ų147.486%0.8681%0.812SS**  trans-61.7138.3-169.949.90000118
338G27.4Very low32.2Very low67 Ų67144.3 Ų144.369%0.69181%0.812SS**  78.4109.9124.400000119.8
339T30.6Very low32.4Very low154 Ų154138.9 Ų138.995%0.94581%0.806SS**  172.1151.5104.631.50000111.6
340S28.1Very low32.7Very low110 Ų110139.2 Ų139.277%0.76981%0.81SS**  trans-77.6151.6-163.8-37.80000115.6
341R30.9Very low33Very low229 Ų229138.6 Ų138.686%0.86481%0.813SS**  174.3124.8117.4-96.5173.5179.5-166.4-0.8113.1
342Q30.5Very low32.9Very low176 Ų176142.5 Ų142.582%0.82282%0.819SS**  trans37.7143.5138.9-68.8172.9-33.300119.2
343S29.3Very low33Very low106 Ų106141.8 Ų141.874%0.74182%0.816SS**  cis-179.5150.55.544.40000102.8
344S30.4Very low33.2Very low95 Ų95137.7 Ų137.766%0.66482%0.815SS**  171.2145.361.8-27.30000107.7
345L31Very low33.2Very low159 Ų159132.7 Ų132.783%0.83281%0.809SS**  trans49.7110.2139.4-62.4161.8000120.7
346Q30.9Very low32.7Very low195 Ų195133 Ų13391%0.91181%0.814SS**  -176.5126.7106.4-105.4160-800111.5
347Q31.5Very low33Very low181 Ų181133.7 Ų133.785%0.84681%0.812SS**  trans-95.2148.1168.4-78.2174.6-28.500109.1
348D31.6Very low33.8Very low153 Ų153133.4 Ų133.482%0.81881%0.807SS**  trans172.4164.7136.3-93.2-10.2000111
349P41.9Very low34.2Very low109 Ų109137 Ų13771%0.70881%0.81SS**  -123.9-175.4-97.617.410.4000112.5
350P43.7Very low34.4Very low117 Ų117139 Ų13976%0.7681%0.809SS**PPolyproline II helixtrans-91.4156.5177.536.6-30.8000111.9
351P42.3Very low34.8Very low131 Ų131143.1 Ų143.185%0.85181%0.813SS**PPolyproline II helixtrans-99132.116631.7-22.6000112.6
352E33.5Very low35.1Very low191 Ų191141.6 Ų141.689%0.89382%0.816SS**PPolyproline II helixtrans-79.1163.4168.4-76.1-178.414400113
353S36.5Very low35.9Very low114 Ų114137.4 Ų137.480%0.79781%0.811SS**PPolyproline II helixtrans-74.6151.717154.20000115.1
354A34.7Very low36.9Very low103 Ų103138.1 Ų138.185%0.85181%0.813SS**  162.6125.312700000112.2
355G30.3Very low38Very low75 Ų75139.5 Ų139.577%0.77382%0.82SS**  110.5145.6113.900000110.1
356S32.7Very low38.8Very low125 Ų125137.8 Ų137.887%0.87482%0.818SS**  cis-173.9157.69.821.60000107.5
357A36.6Very low39.2Very low95 Ų95136.3 Ų136.379%0.78582%0.817SS**  trans-74-177.6-177.400000114
358P45.8Very low39.6Very low117 Ų117137 Ų13776%0.7682%0.82SS**  -149.9169.965.936.6-13.7000118.6
359D35.5Very low39.8Very low141 Ų141138.7 Ų138.775%0.75482%0.823SS**  trans16.5133.5153.6-76.2-65.8000122.9
360E35.4Very low39.6Very low197 Ų197139.4 Ų139.492%0.92183%0.825SS**  -157.3129.3119.2-110.4171.5-16800112.1
361K35.9Very low39.4Very low196 Ų196139.5 Ų139.585%0.85283%0.826SS**  trans-88.5138.9171.7-75.6172.9173.7173.60108.7
362E37.7Very low39.1Very low198 Ų198141.5 Ų141.593%0.92582%0.824SS**  trans-137.5127.7156.4-137.2174.7-176.400111.3
363A46.7Very low39.5Very low87 Ų87139.2 Ų139.272%0.71982%0.823SS**PPolyproline II helixtrans-91.2161.4-176.500000110.9
364P49.5Very low39.6Very low121 Ų121140.7 Ų140.779%0.78682%0.822SS**PPolyproline II helixtrans-80.7149.5175.732.8-32000111.7
365P53.7Low39.7Very low124 Ų124144.6 Ų144.681%0.80582%0.823SS**PPolyproline II helixtrans-80.5164.6175.331.8-32.3000113
366P49.3Very low40.1Very low123 Ų123145.2 Ų145.280%0.79982%0.815SS**PPolyproline II helixtrans-96.5166.5-153.137.5-34.9000115.6
367D39.4Very low40.4Very low164 Ų164144.8 Ų144.888%0.87781%0.808SS**  trans-45.4137.9167.6-76.4-42.6000114
368Q38.6Very low40.8Very low195 Ų195148 Ų14891%0.91181%0.811SS**  trans-122.4135.9154.8-79.2-170.2-000111.1
369Q35.2Very low40.6Very low189 Ų189150.8 Ų150.888%0.88384%0.844SS**  trans-69.3151.4-168.6-72.7160.6-32.800114.6
370V39Very low40.9Very low124 Ų124151.3 Ų151.375%0.75285%0.848SS**  trans-46.4148.4159.6-179.40000112.8
371P39.8Very low41.2Very low119 Ų119148.9 Ų148.977%0.77384%0.844SS**  trans-111.4128.5138.818.5-1.4000110.8
372Q35.7Very low41.5Very low174 Ų174146.3 Ų146.381%0.81384%0.844SS**  trans-60.7138.2163-68.8168.9-50.700109.4
373T41.5Very low41.7Very low142 Ų142143.2 Ų143.287%0.87184%0.839SS**  trans-128.4112.5146.750.10000108
374D38.9Very low41.4Very low146 Ų146146.8 Ų146.878%0.78185%0.846SS**  trans-66.2167.9160.6-92.7-39.9000111.6
375E37.1Very low40.8Very low184 Ų184148.5 Ų148.586%0.8685%0.85SS**  trans86.1139.7165.6-66.6-166.3151.700116.5
376S37.3Very low39.9Very low88 Ų88150.2 Ų150.262%0.61585%0.854SS**  cis-176.9153-12.559.30000105.6
377T40.1Very low39.2Very low117 Ų117152.3 Ų152.372%0.71886%0.858SS**  trans40.7117.8146.6-13.80000120.9
378L43.9Very low39.2Very low163 Ų163151.3 Ų151.385%0.85386%0.856SS**  161.8131.2109.7-87.6155.2000112.5
379A43.1Very low39.2Very low175 Ų175147.4 Ų147.4100%1.44685%0.851SS**  trans62.60150.600000119.9

Retrieved 379 of 379 residues in 211.8 ms (Link to these results)

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