A0A096MAL5_POEFO Loading...

Endosomal transmembrane epsin interactor 2

AlphaFold DB , UniProt , Accession A0A096MAL5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 806 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
1M36.7Very low38.1Very low229 Ų229143.2 Ų143.2100%1.12886%0.864SS**  0123.30-78.6-57.2-167.600108.5
2P55.8Low37.6Very low116 Ų116141.2 Ų141.275%0.75386%0.862SS**  cis-67.9-133.4-16.4-11.930.4000109.9
3V35.5Very low37.9Very low132 Ų132136.6 Ų136.680%0.886%0.86SS**  cis-147.9163.32.9-152.30000108.4
4N40.6Very low37.8Very low163 Ų163138.6 Ų138.687%0.87286%0.859SS**  trans-113.5151.3-174.5-58.6-17.6000113.6
5A33.3Very low37.9Very low98 Ų98137.5 Ų137.581%0.8186%0.859SS**  trans-152.5159.5157.600000111.5
6L40.6Very low37.9Very low159 Ų159132.7 Ų132.783%0.83284%0.844SS**  trans-69162.7-176.3-86.364000114.2
7P39.6Very low38.2Very low130 Ų130132.5 Ų132.584%0.84484%0.844SS**  trans-114.5146.4135.135.5-29.7000112.1
8R33.5Very low38.5Very low240 Ų240129.3 Ų129.391%0.90684%0.84SS**  trans-126.5110.9174.9-175.4-179.8-173.2166.32.2109.9
9G33.9Very low38.5Very low81 Ų81127.8 Ų127.884%0.83583%0.833SS**  trans43.7108.4159.300000119.7
10A31.1Very low38.9Very low110 Ų110128.6 Ų128.691%0.90983%0.829SS**  trans-133.7127.3150.300000108.8
11S37.9Very low39.1Very low117 Ų117126.1 Ų126.182%0.81882%0.815SS**  trans-97.4127.7-176.452.20000111.7
12S32.8Very low39.8Very low119 Ų119119.6 Ų119.683%0.83279%0.79SS**  trans-148.1123.4161.7-73.70000108.4
13G41.9Very low39.5Very low82 Ų82116.4 Ų116.485%0.84577%0.773SS**  trans-77.7135.1-177.300000111.7
14I36.3Very low40.3Very low165 Ų165113 Ų11385%0.84676%0.755SS**  trans-121.3112.2163.7-62.9-179.9000107.1G16I14-G16 PolarHBondContact O-N 3.34Å; I14-G16 VanDerWaalsContact O-N 3.07Å
15S39.6Very low40.8Very low122 Ų122109.7 Ų109.785%0.85374%0.737SS**  trans-66102.8176.5-49.30000109.6
16G36.9Very low41.9Very low60 Ų60108.5 Ų108.562%0.61972%0.723SS**  trans-64.7143.2178.500000112I14I14-G16 PolarHBondContact O-N 3.34Å; I14-G16 VanDerWaalsContact O-N 3.07Å
17P43.9Very low42.9Very low129 Ų129109.1 Ų109.184%0.83871%0.714SS**  trans-62.914217228-34.3000110.2S19P17-S19 PolarHBondContact O-N 2.81Å; P17-S19 VanDerWaalsContact O-N 3.09Å
18G43Very low43.7Very low75 Ų75106.2 Ų106.277%0.77370%0.696SS**  trans-57.3114.2-17600000112.4L20G18-L20 PolarHBondContact O-N 3.45Å
19S38.4Very low44.7Very low101 Ų10198.8 Ų98.871%0.70667%0.674SS**  trans-64.4104.7-179.1-176.50000111.1P17 S21P17-S19 PolarHBondContact O-N 2.81Å; P17-S19 VanDerWaalsContact O-N 3.09Å; S19-S21 PolarHBondContact O-N 3.44Å
20L45.9Very low46.2Very low144 Ų14497.8 Ų97.875%0.75465%0.654SS**  trans-6698.1164.7-75.1173.5000108.2G18G18-L20 PolarHBondContact O-N 3.45Å
21S44.7Very low47.9Very low76 Ų76100.5 Ų100.553%0.53164%0.641SS.*  trans-43122-169.8-53.30000112.4S19 A23 S24S19-S21 PolarHBondContact O-N 3.44Å; S21-A23 PolarHBondContact O-N 2.94Å; S21-S24 PolarHBondContact O-N 3.05Å; S21-S24 PolarHBondContact O-OG 3.1Å
22P50.3Low48.9Very low93 Ų9398.9 Ų98.960%0.60462%0.623SS**Hα-helixtrans-59.7-18.6-170.320-32.3000114.1S26P22-S26 WeakPolarHBondContact O-CB 3.27Å; P22-S26 PolarHBondContact O-N 3.09Å; P22-S26 PolarHBondContact O-OG 3.16Å
23A49.6Very low50.8Low48 Ų48101.7 Ų101.740%0.39762%0.615SS.*Hα-helixtrans-62.6-34.817000000114.2S21 R27S21-A23 PolarHBondContact O-N 2.94Å; A23-R27 WeakPolarHBondContact O-CB 3.5Å; A23-R27 VanDerWaalsContact O-CD 3.31Å; A23-R27 WeakPolarHBondContact O-CD 3.11Å; A23-R27 WeakPolarHBondContact O-CG 3.12Å; A23-R27 PolarHBondContact O-N 2.04Å
24S51.8Low52.5Low62 Ų62101.8 Ų101.843%0.43459%0.594SS.*Hα-helixtrans-73.9-44.1178.9690000111.2S21 R27 S28S21-S24 PolarHBondContact O-N 3.05Å; S21-S24 PolarHBondContact O-OG 3.1Å; S24-R27 PolarHBondContact O-N 2.9Å; S24-S28 PolarHBondContact O-N 3.3Å
25L51Low54.2Low93 Ų93100.3 Ų100.349%0.48758%0.578SS.*Hα-helixtrans-64.9-41176.4-133.6167.9000110.9R27 S28 L29L25-R27 PolarHBondContact O-N 2.95Å; L25-S28 PolarHBondContact O-N 2.97Å; L25-L29 HydrophobicContact CD2-CD1 3.72Å; L25-L29 HydrophobicContact CD2-CG 3.95Å; L25-L29 WeakPolarHBondContact O-CB 3.4Å; L25-L29 WeakPolarHBondContact O-CG 3.11Å; L25-L29 PolarHBondContact O-N 3Å
26S58.1Low56.1Low73 Ų73101.1 Ų101.151%0.5156%0.563SS.*Hα-helixtrans-61.8-41.1172.4-61.60000112.8P22 S30P22-S26 WeakPolarHBondContact O-CB 3.27Å; P22-S26 PolarHBondContact O-N 3.09Å; P22-S26 PolarHBondContact O-OG 3.16Å; S26-S30 WeakPolarHBondContact O-CB 3.02Å; S26-S30 PolarHBondContact O-N 2.93Å; S26-S30 PolarHBondContact O-OG 2.79Å
27R59.8Low58.4Low172 Ų172101.7 Ų101.765%0.64955%0.554SS**Hα-helixtrans-68.2-32.7174.5-74.3165.4-175.8159.60.8112.7A23 S24 L25 S30 R31A23-R27 WeakPolarHBondContact O-CB 3.5Å; A23-R27 VanDerWaalsContact O-CD 3.31Å; A23-R27 WeakPolarHBondContact O-CD 3.11Å; A23-R27 WeakPolarHBondContact O-CG 3.12Å; A23-R27 PolarHBondContact O-N 2.04Å; S24-R27 PolarHBondContact O-N 2.9Å; L25-R27 PolarHBondContact O-N 2.95Å; R27-S30 WeakPolarHBondContact CA-OG 3.36Å; R27-S30 PolarHBondContact O-OG 3.43Å; R27-S30 VanDerWaalsContact O-OG 3.08Å; R27-R31 WeakPolarHBondContact O-CB 3.36Å; R27-R31 VanDerWaalsContact O-CG 3.25Å; R27-R31 WeakPolarHBondContact O-CG 3.47Å; R27-R31 PolarHBondContact O-N 2.7Å; R27-R31 VanDerWaalsContact O-N 3.14Å
28S56.4Low60.2Low68 Ų6898.9 Ų98.948%0.47653%0.527SS..Hα-helixtrans-69.5-48.7173.9-170.80000111S24 L25 S30 R31 L32S24-S28 PolarHBondContact O-N 3.3Å; L25-S28 PolarHBondContact O-N 2.97Å; S28-S30 PolarHBondContact O-N 2.92Å; S28-R31 PolarHBondContact O-N 3.31Å; S28-L32 WeakPolarHBondContact O-CB 3.02Å; S28-L32 PolarHBondContact O-N 3.36Å
29L56.2Low62.1Low84 Ų8496.2 Ų96.244%0.4450%0.496SS..Hα-helixtrans-68.1-31.9178.4-69.1174.6000113.2L25 L32 R33L25-L29 HydrophobicContact CD2-CD1 3.72Å; L25-L29 HydrophobicContact CD2-CG 3.95Å; L25-L29 WeakPolarHBondContact O-CB 3.4Å; L25-L29 WeakPolarHBondContact O-CG 3.11Å; L25-L29 PolarHBondContact O-N 3Å; L29-L32 PolarHBondContact O-N 2.91Å; L29-R33 WeakPolarHBondContact O-CB 3.27Å; L29-R33 WeakPolarHBondContact O-CG 3.42Å; L29-R33 PolarHBondContact O-N 3.4Å
30S64.6Low64.5Low60 Ų6099.2 Ų99.242%0.4249%0.492SS..Hα-helixtrans-66.6-46.817169.60000110.9S26 R27 S28 L32 R33 E34S26-S30 WeakPolarHBondContact O-CB 3.02Å; S26-S30 PolarHBondContact O-N 2.93Å; S26-S30 PolarHBondContact O-OG 2.79Å; R27-S30 WeakPolarHBondContact CA-OG 3.36Å; R27-S30 PolarHBondContact O-OG 3.43Å; R27-S30 VanDerWaalsContact O-OG 3.08Å; S28-S30 PolarHBondContact O-N 2.92Å; S30-L32 VanDerWaalsContact C-N 3.3Å; S30-L32 PolarHBondContact O-N 2.59Å; S30-R33 PolarHBondContact O-N 2.84Å; S30-E34 VanDerWaalsContact O-CB 3.3Å; S30-E34 WeakPolarHBondContact O-CB 3.05Å; S30-E34 PolarHBondContact O-N 2.93Å
31R66Low66.6Low167 Ų16796.1 Ų96.163%0.6348%0.475SS*.Hα-helixtrans-59.4-36.5172.9-75.1176.3177-154.9-0.9112.7R27 S28 E34 Y35R27-R31 WeakPolarHBondContact O-CB 3.36Å; R27-R31 VanDerWaalsContact O-CG 3.25Å; R27-R31 WeakPolarHBondContact O-CG 3.47Å; R27-R31 PolarHBondContact O-N 2.7Å; R27-R31 VanDerWaalsContact O-N 3.14Å; S28-R31 PolarHBondContact O-N 3.31Å; R31-E34 PolarHBondContact O-N 3.34Å; R31-Y35 VanDerWaalsContact O-CB 3.29Å; R31-Y35 WeakPolarHBondContact O-CB 3.49Å; R31-Y35 PolarHBondContact O-N 3Å
32L59Low68.6Low83 Ų8392.8 Ų92.844%0.43545%0.451SS..Hα-helixtrans-71.6-37.4177-119.5163.8000112.6S28 L29 S30 R36S28-L32 WeakPolarHBondContact O-CB 3.02Å; S28-L32 PolarHBondContact O-N 3.36Å; L29-L32 PolarHBondContact O-N 2.91Å; S30-L32 VanDerWaalsContact C-N 3.3Å; S30-L32 PolarHBondContact O-N 2.59Å; L32-R36 WeakPolarHBondContact O-CB 3.46Å; L32-R36 PolarHBondContact O-N 2.88Å
33R72.5Confident70.6Confident179 Ų17991 Ų9168%0.67544%0.436SS*.Hα-helixtrans-66.7-43.1170.4-75.6174.4178.7160.50.9111.3L29 S30 R36 T37L29-R33 WeakPolarHBondContact O-CB 3.27Å; L29-R33 WeakPolarHBondContact O-CG 3.42Å; L29-R33 PolarHBondContact O-N 3.4Å; S30-R33 PolarHBondContact O-N 2.84Å; R33-R36 CarbonylContact O-C 3.5Å; R33-R36 WeakPolarHBondContact O-CA 3.48Å; R33-R36 WeakPolarHBondContact O-CB 3.44Å; R33-R36 PolarHBondContact O-N 3.43Å; R33-R36 VanDerWaalsContact O-N 3.16Å; R33-T37 PolarHBondContact O-N 3.38Å; R33-T37 PolarHBondContact O-OG1 2.98Å
34E77.8Confident72.7Confident83 Ų8391.7 Ų91.739%0.38844%0.442SS..Hα-helixtrans-67.8-41.1179.6-166.5-172.9163.700111.9S30 R31 R36 T37 R38S30-E34 VanDerWaalsContact O-CB 3.3Å; S30-E34 WeakPolarHBondContact O-CB 3.05Å; S30-E34 PolarHBondContact O-N 2.93Å; R31-E34 PolarHBondContact O-N 3.34Å; E34-R36 VanDerWaalsContact C-N 3.31Å; E34-R36 PolarHBondContact O-N 3.32Å; E34-T37 WeakPolarHBondContact CA-OG1 3.08Å; E34-T37 PolarHBondContact O-N 3.31Å; E34-T37 PolarHBondContact O-OG1 2.92Å; E34-R38 HydrophobicContact CG-CG 4.24Å; E34-R38 WeakPolarHBondContact O-CB 3.07Å; E34-R38 VanDerWaalsContact O-CG 3.28Å; E34-R38 WeakPolarHBondContact O-CG 3.26Å; E34-R38 PolarHBondContact O-N 2.04Å; E34-R38 IonicContact OE1-CZ 2.64Å; E34-R38 IonicContact OE1-NE 3.72Å; E34-R38 PolarHBondContact OE1-NE 3.45Å; E34-R38 IonicContact OE1-NH2 2.74Å; E34-R38 PolarHBondContact OE1-NH2 3.34Å
35Y72.4Confident74.6Confident135 Ų13589.9 Ų89.953%0.52943%0.427SS..Hα-helixtrans-56.4-49.3168.3-173.8-102.9000109.4R31 T37 R38 T39R31-Y35 VanDerWaalsContact O-CB 3.29Å; R31-Y35 WeakPolarHBondContact O-CB 3.49Å; R31-Y35 PolarHBondContact O-N 3Å; Y35-T37 VanDerWaalsContact C-N 3.28Å; Y35-T37 PolarHBondContact O-N 3.35Å; Y35-R38 PolarHBondContact O-N 3.12Å; Y35-T39 HydrophobicContact CD1-CG2 4.01Å; Y35-T39 HydrophobicContact CD2-CG2 4.19Å; Y35-T39 HydrophobicContact CE1-CG2 3.8Å; Y35-T39 HydrophobicContact CE2-CG2 3.99Å; Y35-T39 HydrophobicContact CG-CG2 4.2Å; Y35-T39 WeakPolarHBondContact O-CB 3.32Å; Y35-T39 WeakPolarHBondContact O-CG2 3.48Å; Y35-T39 PolarHBondContact O-N 3.17Å; Y35-T39 PolarHBondContact O-OG1 3.15Å
36R80.4Confident76.6Confident138 Ų13885.4 Ų85.452%0.52140%0.404SS..Hα-helixtrans-63.1-22.5178.1-166.2175.9-67.1144.8-0.1114.7L32 R33 E34 T39 R40L32-R36 WeakPolarHBondContact O-CB 3.46Å; L32-R36 PolarHBondContact O-N 2.88Å; R33-R36 CarbonylContact O-C 3.5Å; R33-R36 WeakPolarHBondContact O-CA 3.48Å; R33-R36 WeakPolarHBondContact O-CB 3.44Å; R33-R36 PolarHBondContact O-N 3.43Å; R33-R36 VanDerWaalsContact O-N 3.16Å; E34-R36 VanDerWaalsContact C-N 3.31Å; E34-R36 PolarHBondContact O-N 3.32Å; R36-T39 VanDerWaalsContact C-OG1 3.25Å; R36-T39 WeakPolarHBondContact CA-OG1 3.49Å; R36-T39 PolarHBondContact O-OG1 2.04Å; R36-R40 WeakPolarHBondContact O-CD 3.43Å; R36-R40 VanDerWaalsContact O-CG 3.24Å; R36-R40 WeakPolarHBondContact O-CG 3.47Å; R36-R40 PolarHBondContact O-N 2.78Å
37T84.4Confident78.4Confident73 Ų7384.9 Ų84.945%0.44840%0.397SS..Hα-helixtrans-90.3-48.7173.554.30000112.5R33 E34 Y35 T39 R40 I41R33-T37 PolarHBondContact O-N 3.38Å; R33-T37 PolarHBondContact O-OG1 2.98Å; E34-T37 WeakPolarHBondContact CA-OG1 3.08Å; E34-T37 PolarHBondContact O-N 3.31Å; E34-T37 PolarHBondContact O-OG1 2.92Å; Y35-T37 VanDerWaalsContact C-N 3.28Å; Y35-T37 PolarHBondContact O-N 3.35Å; T37-T39 PolarHBondContact O-N 3.24Å; T37-R40 PolarHBondContact O-N 3.42Å; T37-R40 VanDerWaalsContact O-N 3.09Å; T37-I41 VanDerWaalsContact O-CG1 3.31Å; T37-I41 WeakPolarHBondContact O-CG1 3.41Å; T37-I41 PolarHBondContact O-N 3.18Å
38R82.4Confident80.1Confident69 Ų6978.8 Ų78.826%0.2638%0.381SS..Hα-helixtrans-50.9-43.8172.9-72.7174.2177.4-146.37111.3E34 Y35 I41 M42 M206 S213E34-R38 HydrophobicContact CG-CG 4.24Å; E34-R38 WeakPolarHBondContact O-CB 3.07Å; E34-R38 VanDerWaalsContact O-CG 3.28Å; E34-R38 WeakPolarHBondContact O-CG 3.26Å; E34-R38 PolarHBondContact O-N 2.04Å; E34-R38 IonicContact OE1-CZ 2.64Å; E34-R38 IonicContact OE1-NE 3.72Å; E34-R38 PolarHBondContact OE1-NE 3.45Å; E34-R38 IonicContact OE1-NH2 2.74Å; E34-R38 PolarHBondContact OE1-NH2 3.34Å; Y35-R38 PolarHBondContact O-N 3.12Å; R38-I41 PolarHBondContact O-N 3.41Å; R38-M42 PolarHBondContact O-N 2.8Å; R38-M206 HydrophobicContact CB-CE 4.3Å; R38-M206 HydrophobicContact CG-CE 4.45Å; R38-S213 PolarHBondContact NH1-OG 3.12Å
39T82.9Confident81.9Confident19 Ų1975.6 Ų75.612%0.11736%0.358CS..Hα-helixtrans-60.9-59.9173.955.20000110Y35 R36 T37 I41 M42 L43 W95Y35-T39 HydrophobicContact CD1-CG2 4.01Å; Y35-T39 HydrophobicContact CD2-CG2 4.19Å; Y35-T39 HydrophobicContact CE1-CG2 3.8Å; Y35-T39 HydrophobicContact CE2-CG2 3.99Å; Y35-T39 HydrophobicContact CG-CG2 4.2Å; Y35-T39 WeakPolarHBondContact O-CB 3.32Å; Y35-T39 WeakPolarHBondContact O-CG2 3.48Å; Y35-T39 PolarHBondContact O-N 3.17Å; Y35-T39 PolarHBondContact O-OG1 3.15Å; R36-T39 VanDerWaalsContact C-OG1 3.25Å; R36-T39 WeakPolarHBondContact CA-OG1 3.49Å; R36-T39 PolarHBondContact O-OG1 2.04Å; T37-T39 PolarHBondContact O-N 3.24Å; T39-I41 PolarHBondContact O-N 3.24Å; T39-M42 WeakPolarHBondContact O-CA 3.42Å; T39-M42 WeakPolarHBondContact O-CB 3.4Å; T39-M42 PolarHBondContact O-N 3.47Å; T39-L43 PolarHBondContact O-N 3.27Å; T39-W95 HydrophobicContact CG2-CZ3 4.39Å; T39-W95 WeakPolarHBondContact O-CZ3 2.99Å
40R88.8Confident83.8Confident165 Ų16575 Ų7562%0.62336%0.355SS*.Hα-helixtrans-51.4-34.1178.2-77.3173.3177-171.3-1.9114R36 T37 L43 A44R36-R40 WeakPolarHBondContact O-CD 3.43Å; R36-R40 VanDerWaalsContact O-CG 3.24Å; R36-R40 WeakPolarHBondContact O-CG 3.47Å; R36-R40 PolarHBondContact O-N 2.78Å; T37-R40 PolarHBondContact O-N 3.42Å; T37-R40 VanDerWaalsContact O-N 3.09Å; R40-L43 PolarHBondContact O-N 3.38Å; R40-A44 PolarHBondContact O-N 3.25Å; R40-A44 VanDerWaalsContact O-N 3.13Å
41I90.1Very high85.4Confident79 Ų7976.4 Ų76.441%0.40536%0.36SS..Hα-helixtrans-64.8-40.9175.4-68.6161.9000111.4T37 R38 T39 L43 A44 L45 M206T37-I41 VanDerWaalsContact O-CG1 3.31Å; T37-I41 WeakPolarHBondContact O-CG1 3.41Å; T37-I41 PolarHBondContact O-N 3.18Å; R38-I41 PolarHBondContact O-N 3.41Å; T39-I41 PolarHBondContact O-N 3.24Å; I41-L43 PolarHBondContact O-N 3.48Å; I41-A44 PolarHBondContact O-N 3.4Å; I41-L45 HydrophobicContact CG2-CD1 3.88Å; I41-L45 HydrophobicContact CG2-CG 4.37Å; I41-L45 WeakPolarHBondContact O-CG 3.36Å; I41-L45 PolarHBondContact O-N 2.94Å; I41-M206 HydrophobicContact CB-CE 4.32Å; I41-M206 HydrophobicContact CG2-CE 3.95Å; I41-M206 HydrophobicContact CG2-CG 4.44Å; I41-M206 HydrophobicContact CG2-SD 4.44Å
42M86.6Confident86.8Confident6 Ų669.3 Ų69.33%0.0333%0.334CS..Hα-helixtrans-61.8-39.6173.5-74-142-62.800113.2R38 T39 A44 L45 G46 F106 Q210R38-M42 PolarHBondContact O-N 2.8Å; T39-M42 WeakPolarHBondContact O-CA 3.42Å; T39-M42 WeakPolarHBondContact O-CB 3.4Å; T39-M42 PolarHBondContact O-N 3.47Å; M42-A44 VanDerWaalsContact C-N 3.34Å; M42-L45 PolarHBondContact O-N 2.91Å; M42-G46 PolarHBondContact O-N 2.94Å; M42-F106 HydrophobicContact SD-CE1 4.46Å; M42-Q210 VanDerWaalsContact CG-NE2 3.33Å; M42-Q210 PolarHBondContact SD-NE2 3.25Å
43L91.1Very high88.5Confident56 Ų5665.3 Ų65.329%0.29331%0.314SS..Hα-helixtrans-61.5-45.2174.6178.660.8000111T39 R40 I41 L45 G46 V47 V92 W95T39-L43 PolarHBondContact O-N 3.27Å; R40-L43 PolarHBondContact O-N 3.38Å; I41-L43 PolarHBondContact O-N 3.48Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.42Å; L43-G46 PolarHBondContact O-N 2.88Å; L43-V47 HydrophobicContact CD1-CG2 4.02Å; L43-V47 HydrophobicContact CG-CG2 4.49Å; L43-V47 WeakPolarHBondContact O-CB 3.29Å; L43-V47 VanDerWaalsContact O-CG2 3.3Å; L43-V47 WeakPolarHBondContact O-CG2 3.44Å; L43-V47 PolarHBondContact O-N 3.48Å; L43-V92 HydrophobicContact CD1-CG1 4.48Å; L43-V92 HydrophobicContact CD1-CG2 4.39Å; L43-W95 HydrophobicContact CB-CD2 3.71Å; L43-W95 HydrophobicContact CB-CE3 3.81Å; L43-W95 HydrophobicContact CB-CG 4.12Å; L43-W95 HydrophobicContact CB-CZ3 4.35Å; L43-W95 HydrophobicContact CD1-CB 4.31Å; L43-W95 HydrophobicContact CD1-CD2 4.24Å; L43-W95 HydrophobicContact CD1-CG 3.8Å; L43-W95 HydrophobicContact CD2-CD2 4.29Å; L43-W95 HydrophobicContact CD2-CZ2 4.35Å; L43-W95 HydrophobicContact CG-CD2 4.29Å; L43-W95 HydrophobicContact CG-CG 4.35Å
44A93.4Very high89.7Confident62 Ų6259.3 Ų59.351%0.51230%0.299SS..Hα-helixtrans-62.4-40178.100000112.3R40 I41 M42 S48R40-A44 PolarHBondContact O-N 3.25Å; R40-A44 VanDerWaalsContact O-N 3.13Å; I41-A44 PolarHBondContact O-N 3.4Å; M42-A44 VanDerWaalsContact C-N 3.34Å; A44-S48 WeakPolarHBondContact O-CB 3.31Å; A44-S48 PolarHBondContact O-N 2.92Å; A44-S48 PolarHBondContact O-OG 3.38Å
45L91.9Very high90.6Very high23 Ų2359.2 Ų59.212%0.1230%0.301CS..Hα-helixtrans-68.3-44.7175.9-71169.5000112.4I41 M42 L43 V47 S48 Q49 V199 L202 M206I41-L45 HydrophobicContact CG2-CD1 3.88Å; I41-L45 HydrophobicContact CG2-CG 4.37Å; I41-L45 WeakPolarHBondContact O-CG 3.36Å; I41-L45 PolarHBondContact O-N 2.94Å; M42-L45 PolarHBondContact O-N 2.91Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.42Å; L45-V47 PolarHBondContact O-N 3.3Å; L45-S48 PolarHBondContact O-N 3.15Å; L45-S48 PolarHBondContact O-OG 3.01Å; L45-Q49 WeakPolarHBondContact O-CB 3.48Å; L45-Q49 VanDerWaalsContact O-CG 3.28Å; L45-Q49 WeakPolarHBondContact O-CG 3.22Å; L45-Q49 PolarHBondContact O-N 3.24Å; L45-V199 HydrophobicContact CD2-CG1 4.25Å; L45-L202 HydrophobicContact CD2-CB 4.27Å; L45-M206 HydrophobicContact CD1-CB 4.39Å; L45-M206 HydrophobicContact CD1-CG 4Å
46G93.6Very high91.6Very high0 Ų052.8 Ų52.80%028%0.276CS..Hα-helixtrans-63.6-40.2177.100000112.7M42 L43 M50 G88M42-G46 PolarHBondContact O-N 2.94Å; L43-G46 PolarHBondContact O-N 2.88Å; G46-M50 WeakPolarHBondContact O-CB 3.14Å; G46-M50 PolarHBondContact O-N 2.95Å; G46-G88 CarbonylContact O-C 3.38Å; G46-G88 VanDerWaalsContact O-CA 3.28Å; G46-G88 WeakPolarHBondContact O-CA 3.42Å
47V95.7Very high92.3Very high62 Ų6247.6 Ų47.638%0.37626%0.258SS..Hα-helixtrans-67.7-41.9174.3172.30000111.4L43 L45 M50 V51 V92L43-V47 HydrophobicContact CD1-CG2 4.02Å; L43-V47 HydrophobicContact CG-CG2 4.49Å; L43-V47 WeakPolarHBondContact O-CB 3.29Å; L43-V47 VanDerWaalsContact O-CG2 3.3Å; L43-V47 WeakPolarHBondContact O-CG2 3.44Å; L43-V47 PolarHBondContact O-N 3.48Å; L45-V47 PolarHBondContact O-N 3.3Å; V47-M50 PolarHBondContact O-N 2.83Å; V47-V51 WeakPolarHBondContact O-CG2 3.41Å; V47-V51 PolarHBondContact O-N 2.97Å; V47-V92 HydrophobicContact CG2-CG2 3.9Å
48S95.3Very high92.7Very high43 Ų4347 Ų4730%0.30126%0.26SS..Hα-helixtrans-67.9-37.9178.670.60000112.1A44 L45 V51 L52 V199A44-S48 WeakPolarHBondContact O-CB 3.31Å; A44-S48 PolarHBondContact O-N 2.92Å; A44-S48 PolarHBondContact O-OG 3.38Å; L45-S48 PolarHBondContact O-N 3.15Å; L45-S48 PolarHBondContact O-OG 3.01Å; S48-V51 PolarHBondContact O-N 3.28Å; S48-L52 WeakPolarHBondContact O-CB 3.42Å; S48-L52 PolarHBondContact O-N 2.95Å; S48-V199 WeakPolarHBondContact OG-CG1 3.42Å
49Q95.4Very high93.2Very high1 Ų144.6 Ų44.61%0.00525%0.253CS..Hα-helixtrans-58.7-48.5168.1-74173.3-40.700111.6L45 V51 L52 G53 V84 S87 G88 F106 V199 C200L45-Q49 WeakPolarHBondContact O-CB 3.48Å; L45-Q49 VanDerWaalsContact O-CG 3.28Å; L45-Q49 WeakPolarHBondContact O-CG 3.22Å; L45-Q49 PolarHBondContact O-N 3.24Å; Q49-V51 VanDerWaalsContact C-N 3.34Å; Q49-V51 PolarHBondContact O-N 2.9Å; Q49-L52 PolarHBondContact O-N 3.35Å; Q49-G53 PolarHBondContact O-N 2.91Å; Q49-V84 HydrophobicContact CB-CG1 4.24Å; Q49-V84 WeakPolarHBondContact O-CG1 3.37Å; Q49-S87 PolarHBondContact NE2-OG 3.09Å; Q49-G88 VanDerWaalsContact CB-CA 3.49Å; Q49-F106 VanDerWaalsContact OE1-CE2 3.32Å; Q49-V199 HydrophobicContact CG-CG1 3.67Å; Q49-C200 PolarHBondContact NE2-SG 3.48Å
50M95.9Very high93.6Very high73 Ų7343.7 Ų43.736%0.3625%0.248SC..Hα-helixtrans-60-43.3-180-171.2-174.671.800112G46 V47 S54G46-M50 WeakPolarHBondContact O-CB 3.14Å; G46-M50 PolarHBondContact O-N 2.95Å; V47-M50 PolarHBondContact O-N 2.83Å; M50-S54 WeakPolarHBondContact O-CB 3.23Å; M50-S54 PolarHBondContact O-N 3.39Å; M50-S54 VanDerWaalsContact O-N 3.15Å; M50-S54 PolarHBondContact O-OG 2.85Å
51V97.3Very high93.7Very high88 Ų8841.7 Ų41.753%0.53324%0.244SC..Hα-helixtrans-65.6-45.8175.6171.70000111.4V47 S48 Q49 S54 L55V47-V51 WeakPolarHBondContact O-CG2 3.41Å; V47-V51 PolarHBondContact O-N 2.97Å; S48-V51 PolarHBondContact O-N 3.28Å; Q49-V51 VanDerWaalsContact C-N 3.34Å; Q49-V51 PolarHBondContact O-N 2.9Å; V51-S54 WeakPolarHBondContact O-CB 3.09Å; V51-S54 PolarHBondContact O-N 3.46Å; V51-L55 WeakPolarHBondContact O-CB 3.2Å; V51-L55 PolarHBondContact O-N 3.08Å
52L95.6Very high93.6Very high18 Ų1840 Ų409%0.09424%0.242CC..Hα-helixtrans-72.4-39.1-175-175.351.8000112.6S48 Q49 S54 L55 I56 L192 I195 S196 V199S48-L52 WeakPolarHBondContact O-CB 3.42Å; S48-L52 PolarHBondContact O-N 2.95Å; Q49-L52 PolarHBondContact O-N 3.35Å; L52-S54 VanDerWaalsContact C-N 3.35Å; L52-L55 PolarHBondContact O-N 3.22Å; L52-I56 HydrophobicContact CD1-CD1 4.29Å; L52-I56 HydrophobicContact CD1-CG1 4.43Å; L52-I56 HydrophobicContact CG-CD1 4.13Å; L52-I56 VanDerWaalsContact O-CG1 3.29Å; L52-I56 WeakPolarHBondContact O-CG1 3.41Å; L52-I56 PolarHBondContact O-N 2.94Å; L52-L192 HydrophobicContact CD1-CB 4.38Å; L52-L192 HydrophobicContact CD1-CD2 3.67Å; L52-I195 HydrophobicContact CD2-CB 4.4Å; L52-I195 HydrophobicContact CD2-CG2 3.85Å; L52-S196 VanDerWaalsContact CD2-CA 3.47Å; L52-V199 HydrophobicContact CD2-CG2 4.36Å
53G95.9Very high93.6Very high0 Ų039.8 Ų39.80%024%0.241CC..Hα-helixtrans-62.7-40.4170.800000112.2Q49 L55 I56 L57 G81Q49-G53 PolarHBondContact O-N 2.91Å; G53-L55 VanDerWaalsContact C-N 3.34Å; G53-L55 PolarHBondContact O-N 2.87Å; G53-I56 PolarHBondContact O-N 3.22Å; G53-L57 WeakPolarHBondContact O-CB 3.43Å; G53-L57 VanDerWaalsContact O-CG 3.31Å; G53-L57 WeakPolarHBondContact O-CG 3.28Å; G53-L57 PolarHBondContact O-N 3.41Å; G53-G81 WeakPolarHBondContact CA-O 2.96Å
54S96.3Very high93.3Very high53 Ų5338.4 Ų38.437%0.37123%0.234SC..Hα-helixtrans-61.4-41.4172.7-58.30000112M50 V51 L52 A58 L85M50-S54 WeakPolarHBondContact O-CB 3.23Å; M50-S54 PolarHBondContact O-N 3.39Å; M50-S54 VanDerWaalsContact O-N 3.15Å; M50-S54 PolarHBondContact O-OG 2.85Å; V51-S54 WeakPolarHBondContact O-CB 3.09Å; V51-S54 PolarHBondContact O-N 3.46Å; L52-S54 VanDerWaalsContact C-N 3.35Å; S54-A58 WeakPolarHBondContact O-CB 3.48Å; S54-A58 PolarHBondContact O-N 3.35Å; S54-L85 WeakPolarHBondContact OG-CD1 3.46Å
55L96.3Very high92.9Very high80 Ų8038.4 Ų38.442%0.41923%0.234SC..Hα-helixtrans-69.3-44178.2-174.958.7000112V51 L52 G53 L57 A58 V59 L192V51-L55 WeakPolarHBondContact O-CB 3.2Å; V51-L55 PolarHBondContact O-N 3.08Å; L52-L55 PolarHBondContact O-N 3.22Å; G53-L55 VanDerWaalsContact C-N 3.34Å; G53-L55 PolarHBondContact O-N 2.87Å; L55-L57 VanDerWaalsContact C-N 3.31Å; L55-L57 PolarHBondContact O-N 3.31Å; L55-A58 PolarHBondContact O-N 3.5Å; L55-V59 HydrophobicContact CD1-CG2 3.98Å; L55-V59 HydrophobicContact CG-CG2 4.4Å; L55-V59 VanDerWaalsContact O-CG2 3.31Å; L55-V59 WeakPolarHBondContact O-CG2 3.29Å; L55-V59 PolarHBondContact O-N 2.95Å; L55-L192 HydrophobicContact CD2-CD1 4.29Å; L55-L192 HydrophobicContact CD2-CD2 3.63Å; L55-L192 HydrophobicContact CG-CD1 4.02Å; L55-L192 HydrophobicContact CG-CD2 4.2Å
56I94.4Very high92.3Very high0 Ų038.6 Ų38.60%024%0.235CC..Hα-helixtrans-59.4-43174.5-70.4162.9000110.7L52 G53 S60 L192L52-I56 HydrophobicContact CD1-CD1 4.29Å; L52-I56 HydrophobicContact CD1-CG1 4.43Å; L52-I56 HydrophobicContact CG-CD1 4.13Å; L52-I56 VanDerWaalsContact O-CG1 3.29Å; L52-I56 WeakPolarHBondContact O-CG1 3.41Å; L52-I56 PolarHBondContact O-N 2.94Å; G53-I56 PolarHBondContact O-N 3.22Å; I56-S60 WeakPolarHBondContact O-CB 3.2Å; I56-S60 PolarHBondContact O-N 3.24Å; I56-S60 PolarHBondContact O-OG 3.31Å; I56-L192 HydrophobicContact CD1-CB 4.42Å; I56-L192 HydrophobicContact CG1-CB 3.79Å
57L94.3Very high91.5Very high29 Ų2938.6 Ų38.615%0.15224%0.235CC..Hα-helixtrans-60.7-51.5173.9-76.2168.4000111.5G53 L55 V59 S60 F61 F78 F82 L85G53-L57 WeakPolarHBondContact O-CB 3.43Å; G53-L57 VanDerWaalsContact O-CG 3.31Å; G53-L57 WeakPolarHBondContact O-CG 3.28Å; G53-L57 PolarHBondContact O-N 3.41Å; L55-L57 VanDerWaalsContact C-N 3.31Å; L55-L57 PolarHBondContact O-N 3.31Å; L57-V59 PolarHBondContact O-N 3.13Å; L57-S60 PolarHBondContact O-N 3.47Å; L57-F61 HydrophobicContact CD2-CE2 4.26Å; L57-F61 WeakPolarHBondContact O-CD2 3.3Å; L57-F61 PolarHBondContact O-N 2.98Å; L57-F78 HydrophobicContact CD2-CB 4.23Å; L57-F78 VanDerWaalsContact CD2-O 3.28Å; L57-F78 WeakPolarHBondContact CD2-O 3.39Å; L57-F82 HydrophobicContact CD2-CB 4.32Å; L57-L85 HydrophobicContact CD1-CB 4.49Å; L57-L85 HydrophobicContact CD1-CD1 3.8Å
58A94.4Very high90Very high60 Ų6038 Ų3850%0.49623%0.231SC..Hα-helixtrans-60-46-178.300000112.7S54 L55 F61 A62S54-A58 WeakPolarHBondContact O-CB 3.48Å; S54-A58 PolarHBondContact O-N 3.35Å; L55-A58 PolarHBondContact O-N 3.5Å; A58-F61 PolarHBondContact O-N 2.97Å; A58-A62 PolarHBondContact O-N 3.21Å
59V92.3Very high88.5Confident19 Ų1936.6 Ų36.612%0.11522%0.221CC..Hα-helixtrans-71.1-35.1178.7-174.50000111.1L55 L57 A62 A63 L185 V189 L192L55-V59 HydrophobicContact CD1-CG2 3.98Å; L55-V59 HydrophobicContact CG-CG2 4.4Å; L55-V59 VanDerWaalsContact O-CG2 3.31Å; L55-V59 WeakPolarHBondContact O-CG2 3.29Å; L55-V59 PolarHBondContact O-N 2.95Å; L57-V59 PolarHBondContact O-N 3.13Å; V59-A62 PolarHBondContact O-N 2.97Å; V59-A63 PolarHBondContact O-N 3.25Å; V59-L185 HydrophobicContact CG1-CD2 3.72Å; V59-V189 HydrophobicContact CB-CG2 4.02Å; V59-V189 HydrophobicContact CG1-CG2 3.45Å; V59-V189 VanDerWaalsContact CG1-CG2 3.45Å; V59-L192 HydrophobicContact CB-CD1 4.45Å; V59-L192 HydrophobicContact CG2-CD1 4.1Å
60S91.2Very high86.8Confident1 Ų140.7 Ų40.71%0.00725%0.248CC..Hα-helixtrans-63.4-43.1172.1-62.80000111.9I56 L57 A63 L64I56-S60 WeakPolarHBondContact O-CB 3.2Å; I56-S60 PolarHBondContact O-N 3.24Å; I56-S60 PolarHBondContact O-OG 3.31Å; L57-S60 PolarHBondContact O-N 3.47Å; S60-A63 PolarHBondContact O-N 3.36Å; S60-L64 WeakPolarHBondContact O-CB 3.3Å; S60-L64 VanDerWaalsContact O-CG 3.23Å; S60-L64 WeakPolarHBondContact O-CG 3.32Å; S60-L64 PolarHBondContact O-N 3.15Å
61F90.2Very high84.9Confident123 Ų12345.2 Ų45.254%0.53926%0.261SS..Hα-helixtrans-67-35.7175-80.8-62.9000112.6L57 A58 L64 A65L57-F61 HydrophobicContact CD2-CE2 4.26Å; L57-F61 WeakPolarHBondContact O-CD2 3.3Å; L57-F61 PolarHBondContact O-N 2.98Å; A58-F61 PolarHBondContact O-N 2.97Å; F61-L64 HydrophobicContact CD1-CD1 3.99Å; F61-L64 HydrophobicContact CE1-CD1 4.3Å; F61-L64 PolarHBondContact O-N 3.22Å; F61-A65 WeakPolarHBondContact O-CB 3.43Å; F61-A65 PolarHBondContact O-N 3.29Å
62A89.2Confident83Confident43 Ų4341.3 Ų41.336%0.35524%0.238SC..Hα-helixtrans-62.6-43.7172.100000111.9A58 V59 A65 L66A58-A62 PolarHBondContact O-N 3.21Å; V59-A62 PolarHBondContact O-N 2.97Å; A62-A65 PolarHBondContact O-N 3.26Å; A62-L66 WeakPolarHBondContact O-CG 3.37Å; A62-L66 PolarHBondContact O-N 2.86Å
63A85.8Confident81.5Confident2 Ų246.2 Ų46.22%0.01726%0.255CS..Hα-helixtrans-62-45.1173.400000111.9V59 S60 A65 L66 T67 L182V59-A63 PolarHBondContact O-N 3.25Å; S60-A63 PolarHBondContact O-N 3.36Å; A63-A65 VanDerWaalsContact C-N 3.27Å; A63-A65 PolarHBondContact O-N 3.47Å; A63-L66 PolarHBondContact O-N 3.38Å; A63-T67 VanDerWaalsContact O-CG2 3.26Å; A63-T67 WeakPolarHBondContact O-CG2 3.42Å; A63-T67 PolarHBondContact O-N 2.68Å; A63-T67 VanDerWaalsContact O-N 3.12Å; A63-L182 HydrophobicContact CB-CD1 4.15Å
64L84.8Confident80Confident27 Ų2754.2 Ų54.214%0.14129%0.292CS..Hα-helixtrans-61.7-28.6176.2-73.9167000113.9S60 F61 R73 C76 F78S60-L64 WeakPolarHBondContact O-CB 3.3Å; S60-L64 VanDerWaalsContact O-CG 3.23Å; S60-L64 WeakPolarHBondContact O-CG 3.32Å; S60-L64 PolarHBondContact O-N 3.15Å; F61-L64 HydrophobicContact CD1-CD1 3.99Å; F61-L64 HydrophobicContact CE1-CD1 4.3Å; F61-L64 PolarHBondContact O-N 3.22Å; L64-R73 HydrophobicContact CD2-CB 4.2Å; L64-R73 HydrophobicContact CD2-CG 3.89Å; L64-C76 HydrophobicContact CD1-CB 4.15Å; L64-C76 HydrophobicContact CD2-CB 3.82Å; L64-C76 HydrophobicContact CG-CB 3.92Å; L64-F78 HydrophobicContact CD1-CD1 4.34Å
65A85.2Confident78.5Confident61 Ų6153.1 Ų53.150%0.50428%0.284SS..Hα-helixtrans-77.2-27.8176.400000112.9F61 A62 A63F61-A65 WeakPolarHBondContact O-CB 3.43Å; F61-A65 PolarHBondContact O-N 3.29Å; A62-A65 PolarHBondContact O-N 3.26Å; A63-A65 VanDerWaalsContact C-N 3.27Å; A63-A65 PolarHBondContact O-N 3.47Å
66L80.6Confident77.3Confident28 Ų2849.6 Ų49.615%0.14727%0.266CS..Hα-helixtrans-84.4-26.9177-64.6174.3000112.8A62 A63 L169 N170 L172 I178 L185A62-L66 WeakPolarHBondContact O-CG 3.37Å; A62-L66 PolarHBondContact O-N 2.86Å; A63-L66 PolarHBondContact O-N 3.38Å; L66-L169 WeakPolarHBondContact O-CA 3.47Å; L66-N170 PolarHBondContact O-N 2.8Å; L66-L172 HydrophobicContact CD2-CD1 4Å; L66-I178 HydrophobicContact CB-CG2 4.47Å; L66-I178 HydrophobicContact CD2-CG2 4.36Å; L66-L185 HydrophobicContact CD1-CD1 3.5Å; L66-L185 VanDerWaalsContact CD1-CD1 3.5Å
67T75.6Confident76.8Confident0 Ų050.1 Ų50.10%027%0.27CS..BIsolated β-bridgetrans-107.7115.7179.7-170.10000112.4A63 S69 V72A63-T67 VanDerWaalsContact O-CG2 3.26Å; A63-T67 WeakPolarHBondContact O-CG2 3.42Å; A63-T67 PolarHBondContact O-N 2.68Å; A63-T67 VanDerWaalsContact O-N 3.12Å; T67-S69 VanDerWaalsContact C-N 3.3Å; T67-V72 HydrophobicContact CG2-CB 3.74Å; T67-V72 HydrophobicContact CG2-CG1 3.6Å; T67-V72 HydrophobicContact CG2-CG2 4.38Å
68T65.3Low76.5Confident49 Ų4951.3 Ų51.330%0.30127%0.274SS..  trans-85.4-8.3174.255.30000112.3K168 N170T68-K168 PolarHBondContact N-O 2.96Å; T68-K168 VanDerWaalsContact N-O 3.12Å; T68-K168 WeakPolarHBondContact OG1-CB 3.29Å; T68-K168 PolarHBondContact OG1-O 2.74Å; T68-N170 HydrophobicContact CG2-CB 4.15Å
69S63.8Low76.3Confident13 Ų1356.4 Ų56.49%0.09128%0.28CS..  trans-65.3123.3-177.9-177.40000112.8T67 R71 V72 R73 K168T67-S69 VanDerWaalsContact C-N 3.3Å; S69-R71 PolarHBondContact O-N 2.83Å; S69-V72 PolarHBondContact O-N 3.5Å; S69-V72 VanDerWaalsContact O-N 3.13Å; S69-R73 PolarHBondContact O-N 3.49Å; S69-K168 PolarHBondContact N-O 3.01Å
70P58Low76.3Confident88 Ų8855.7 Ų55.757%0.57128%0.276SS*.Hα-helixtrans-64.6-26.4-179.426.5-34.3000112.8V72 R73 H74P70-V72 VanDerWaalsContact C-N 3.26Å; P70-V72 PolarHBondContact O-N 3.46Å; P70-R73 PolarHBondContact O-N 2.82Å; P70-H74 PolarHBondContact O-CD2 2.84Å; P70-H74 PolarHBondContact O-N 3.26Å
71R56.6Low76.4Confident167 Ų16755.6 Ų55.663%0.6328%0.276SS*.Hα-helixtrans-60.1-35.8174.9-80-173.5153.9-157.4-14.7112.3S69 S75 A164S69-R71 PolarHBondContact O-N 2.83Å; R71-S75 PolarHBondContact O-OG 3.46Å; R71-S75 VanDerWaalsContact O-OG 3.08Å; R71-A164 WeakPolarHBondContact CD-O 3.48Å; R71-A164 PolarHBondContact NH1-O 3.29Å
72V56.8Low76.6Confident7 Ų754.7 Ų54.74%0.04227%0.271CS..Hα-helixtrans-81-30178.7-1710000111.5T67 S69 P70 H74 S75 C76 L167T67-V72 HydrophobicContact CG2-CB 3.74Å; T67-V72 HydrophobicContact CG2-CG1 3.6Å; T67-V72 HydrophobicContact CG2-CG2 4.38Å; S69-V72 PolarHBondContact O-N 3.5Å; S69-V72 VanDerWaalsContact O-N 3.13Å; P70-V72 VanDerWaalsContact C-N 3.26Å; P70-V72 PolarHBondContact O-N 3.46Å; V72-H74 VanDerWaalsContact C-N 3.31Å; V72-H74 PolarHBondContact O-N 2.87Å; V72-S75 CarbonylContact O-C 3.59Å; V72-S75 PolarHBondContact O-N 3.29Å; V72-C76 PolarHBondContact O-N 3.01Å; V72-L167 HydrophobicContact CG2-CD1 4.03Å
73R65.5Low76.9Confident121 Ų12153.3 Ų53.346%0.45726%0.259SS..Hα-helixtrans-62.6-32.7-179.6-67.2-174.8174.7164.6-3.5114.2L64 S69 P70L64-R73 HydrophobicContact CD2-CB 4.2Å; L64-R73 HydrophobicContact CD2-CG 3.89Å; S69-R73 PolarHBondContact O-N 3.49Å; P70-R73 PolarHBondContact O-N 2.82Å
74H63.2Low77.3Confident167 Ų16753.2 Ų53.277%0.77326%0.259SS*.THydrogen-bonded Turntrans-83.5-13.3172.4-69.6-80.9000113.7P70 V72P70-H74 PolarHBondContact O-CD2 2.84Å; P70-H74 PolarHBondContact O-N 3.26Å; V72-H74 VanDerWaalsContact C-N 3.31Å; V72-H74 PolarHBondContact O-N 2.87Å
75S65.9Low77.8Confident31 Ų3154 Ų5422%0.21726%0.263CS..THydrogen-bonded Turntrans-103.6-16-175.9-58.30000114.6R71 V72R71-S75 PolarHBondContact O-OG 3.46Å; R71-S75 VanDerWaalsContact O-OG 3.08Å; V72-S75 CarbonylContact O-C 3.59Å; V72-S75 PolarHBondContact O-N 3.29Å
76C71.1Confident78.3Confident6 Ų654.1 Ų54.14%0.04125%0.254CS..SBendtrans-66.6133.3174.7-78.90000111.4L64 V72 F78L64-C76 HydrophobicContact CD1-CB 4.15Å; L64-C76 HydrophobicContact CD2-CB 3.82Å; L64-C76 HydrophobicContact CG-CB 3.92Å; V72-C76 PolarHBondContact O-N 3.01Å; C76-F78 VanDerWaalsContact O-CD1 3.3Å; C76-F78 WeakPolarHBondContact O-CD1 3.39Å; C76-F78 PolarHBondContact O-N 3.46Å
77P83.2Confident79Confident10 Ų1052.8 Ų52.87%0.06525%0.247CC..THydrogen-bonded Turntrans-81.638.9-17134.9-37.7000113.9W79 A80 G81 V189 N193P77-W79 PolarHBondContact O-N 2.75Å; P77-A80 HydrophobicContact CB-CB 4.14Å; P77-A80 WeakPolarHBondContact O-CB 3.38Å; P77-A80 PolarHBondContact O-N 2.97Å; P77-G81 PolarHBondContact O-N 2.95Å; P77-G81 VanDerWaalsContact O-N 3.1Å; P77-V189 HydrophobicContact CG-CG1 3.34Å; P77-N193 WeakPolarHBondContact CG-ND2 3.29Å
78F87.6Confident79.9Confident54 Ų5452.8 Ų52.824%0.23725%0.247CC..Hα-helixtrans-61.7-33.9177.970.2-93.5000111.9L57 L64 C76 A80 G81 F82L57-F78 HydrophobicContact CD2-CB 4.23Å; L57-F78 VanDerWaalsContact CD2-O 3.28Å; L57-F78 WeakPolarHBondContact CD2-O 3.39Å; L64-F78 HydrophobicContact CD1-CD1 4.34Å; C76-F78 VanDerWaalsContact O-CD1 3.3Å; C76-F78 WeakPolarHBondContact O-CD1 3.39Å; C76-F78 PolarHBondContact O-N 3.46Å; F78-A80 VanDerWaalsContact C-N 3.32Å; F78-A80 PolarHBondContact O-N 2.7Å; F78-G81 PolarHBondContact O-N 3.26Å; F78-F82 WeakPolarHBondContact O-CB 3.37Å; F78-F82 PolarHBondContact O-N 2.95Å
79W90.4Very high81.2Confident168 Ų16854.5 Ų54.564%0.63625%0.254SS*.Hα-helixtrans-59-39.1170.7-61.6112000113.1P77 S83P77-W79 PolarHBondContact O-N 2.75Å; W79-S83 WeakPolarHBondContact O-CB 3.31Å; W79-S83 PolarHBondContact O-N 2.69Å
80A92.7Very high82.6Confident3 Ų355.2 Ų55.23%0.02526%0.257CS..Hα-helixtrans-68.9-47.3177.100000110.6P77 F78 F82 S83 V84 L116P77-A80 HydrophobicContact CB-CB 4.14Å; P77-A80 WeakPolarHBondContact O-CB 3.38Å; P77-A80 PolarHBondContact O-N 2.97Å; F78-A80 VanDerWaalsContact C-N 3.32Å; F78-A80 PolarHBondContact O-N 2.7Å; A80-F82 VanDerWaalsContact C-N 3.29Å; A80-F82 PolarHBondContact O-N 3.46Å; A80-S83 WeakPolarHBondContact O-CB 3.43Å; A80-S83 PolarHBondContact O-N 2.94Å; A80-S83 VanDerWaalsContact O-N 3.15Å; A80-V84 WeakPolarHBondContact O-CG2 3.26Å; A80-V84 PolarHBondContact O-N 3.25Å; A80-L116 HydrophobicContact CB-CB 4.09Å
81G93.3Very high84.1Confident0 Ų051 Ų510%023%0.23CC..Hα-helixtrans-57.5-39.5175.200000113.4G53 P77 F78 V84 L85G53-G81 WeakPolarHBondContact CA-O 2.96Å; P77-G81 PolarHBondContact O-N 2.95Å; P77-G81 VanDerWaalsContact O-N 3.1Å; F78-G81 PolarHBondContact O-N 3.26Å; G81-V84 PolarHBondContact O-N 2.99Å; G81-L85 WeakPolarHBondContact O-CB 3.5Å; G81-L85 PolarHBondContact O-N 3.39Å
82F94.3Very high85.8Confident103 Ų10345.1 Ų45.145%0.45221%0.212SC..Hα-helixtrans-66.7-43.6174.3-176.3-111.8000112.7L57 F78 A80 V84 L85 L86L57-F82 HydrophobicContact CD2-CB 4.32Å; F78-F82 WeakPolarHBondContact O-CB 3.37Å; F78-F82 PolarHBondContact O-N 2.95Å; A80-F82 VanDerWaalsContact C-N 3.29Å; A80-F82 PolarHBondContact O-N 3.46Å; F82-V84 VanDerWaalsContact C-N 3.35Å; F82-V84 PolarHBondContact O-N 2.8Å; F82-L85 PolarHBondContact O-N 2.87Å; F82-L86 HydrophobicContact CD1-CD1 4.03Å; F82-L86 HydrophobicContact CD1-CG 4.49Å; F82-L86 HydrophobicContact CE1-CD1 3.47Å; F82-L86 VanDerWaalsContact CE1-CD1 3.47Å; F82-L86 HydrophobicContact CE1-CG 4.13Å; F82-L86 HydrophobicContact CE2-CD1 4.44Å; F82-L86 HydrophobicContact CE2-CD2 4.41Å; F82-L86 HydrophobicContact CE2-CG 4.27Å; F82-L86 HydrophobicContact CZ-CD1 3.71Å; F82-L86 HydrophobicContact CZ-CD2 4.21Å; F82-L86 HydrophobicContact CZ-CG 4.01Å; F82-L86 WeakPolarHBondContact O-CG 3.41Å; F82-L86 PolarHBondContact O-N 3.2Å
83S94.6Very high87.3Confident14 Ų1448.8 Ų48.810%0.09823%0.234CC..Hα-helixtrans-59.9-42.8174.7176.10000112.2W79 A80 L86 S87W79-S83 WeakPolarHBondContact O-CB 3.31Å; W79-S83 PolarHBondContact O-N 2.69Å; A80-S83 WeakPolarHBondContact O-CB 3.43Å; A80-S83 PolarHBondContact O-N 2.94Å; A80-S83 VanDerWaalsContact O-N 3.15Å; S83-L86 PolarHBondContact O-N 2.99Å; S83-S87 WeakPolarHBondContact O-CB 3.3Å; S83-S87 PolarHBondContact O-N 2.59Å
84V95.4Very high88.3Confident1 Ų143 Ų431%0.00621%0.213CC..Hα-helixtrans-62.6-44.2175.6179.10000111Q49 A80 G81 F82 S87 G88 C113 N117 S196Q49-V84 HydrophobicContact CB-CG1 4.24Å; Q49-V84 WeakPolarHBondContact O-CG1 3.37Å; A80-V84 WeakPolarHBondContact O-CG2 3.26Å; A80-V84 PolarHBondContact O-N 3.25Å; G81-V84 PolarHBondContact O-N 2.99Å; F82-V84 VanDerWaalsContact C-N 3.35Å; F82-V84 PolarHBondContact O-N 2.8Å; V84-S87 PolarHBondContact O-N 3.41Å; V84-G88 PolarHBondContact O-N 3.12Å; V84-C113 WeakPolarHBondContact CG2-SG 3.31Å; V84-N117 WeakPolarHBondContact CG2-ND2 3.49Å; V84-S196 WeakPolarHBondContact CG2-OG 3.38Å
85L95.8Very high89.3Confident43 Ų4339.4 Ų39.423%0.22519%0.192CC..Hα-helixtrans-65.8-42.2-179.9-172.2153.2000111.8S54 L57 G81 F82 L89S54-L85 WeakPolarHBondContact OG-CD1 3.46Å; L57-L85 HydrophobicContact CD1-CB 4.49Å; L57-L85 HydrophobicContact CD1-CD1 3.8Å; G81-L85 WeakPolarHBondContact O-CB 3.5Å; G81-L85 PolarHBondContact O-N 3.39Å; F82-L85 PolarHBondContact O-N 2.87Å; L85-L89 WeakPolarHBondContact O-CB 3.45Å; L85-L89 PolarHBondContact O-N 3.36Å
86L94.8Very high90.1Very high63 Ų6346.5 Ų46.533%0.3322%0.219SC..Hα-helixtrans-63.6-46.2172.9-72.9-177.4000111.8F82 S83 G88 L89 I90F82-L86 HydrophobicContact CD1-CD1 4.03Å; F82-L86 HydrophobicContact CD1-CG 4.49Å; F82-L86 HydrophobicContact CE1-CD1 3.47Å; F82-L86 VanDerWaalsContact CE1-CD1 3.47Å; F82-L86 HydrophobicContact CE1-CG 4.13Å; F82-L86 HydrophobicContact CE2-CD1 4.44Å; F82-L86 HydrophobicContact CE2-CD2 4.41Å; F82-L86 HydrophobicContact CE2-CG 4.27Å; F82-L86 HydrophobicContact CZ-CD1 3.71Å; F82-L86 HydrophobicContact CZ-CD2 4.21Å; F82-L86 HydrophobicContact CZ-CG 4.01Å; F82-L86 WeakPolarHBondContact O-CG 3.41Å; F82-L86 PolarHBondContact O-N 3.2Å; S83-L86 PolarHBondContact O-N 2.99Å; L86-G88 PolarHBondContact O-N 3Å; L86-L89 PolarHBondContact O-N 2.93Å; L86-I90 WeakPolarHBondContact O-CB 3.34Å; L86-I90 WeakPolarHBondContact O-CD1 3.39Å; L86-I90 VanDerWaalsContact O-CG1 3.29Å; L86-I90 WeakPolarHBondContact O-CG1 3.33Å; L86-I90 PolarHBondContact O-N 3.46Å
87S94.8Very high90.5Very high0 Ų055.1 Ų55.10%025%0.251CS..Hα-helixtrans-56.5-49.8176.2-175.10000110.6Q49 S83 V84 L89 I90 G91 F106Q49-S87 PolarHBondContact NE2-OG 3.09Å; S83-S87 WeakPolarHBondContact O-CB 3.3Å; S83-S87 PolarHBondContact O-N 2.59Å; V84-S87 PolarHBondContact O-N 3.41Å; S87-L89 PolarHBondContact O-N 3.47Å; S87-I90 PolarHBondContact O-N 3.13Å; S87-G91 PolarHBondContact O-N 3.32Å; S87-F106 VanDerWaalsContact O-CD2 3.31Å; S87-F106 WeakPolarHBondContact O-CD2 3.45Å; S87-F106 WeakPolarHBondContact O-CE2 3.41Å; S87-F106 WeakPolarHBondContact OG-CE2 3.13Å
88G94.3Very high90.1Very high0 Ų057.8 Ų57.80%027%0.268CS..Hα-helixtrans-61.1-44.3177.600000114G46 Q49 V84 L86 I90 G91 V92G46-G88 CarbonylContact O-C 3.38Å; G46-G88 VanDerWaalsContact O-CA 3.28Å; G46-G88 WeakPolarHBondContact O-CA 3.42Å; Q49-G88 VanDerWaalsContact CB-CA 3.49Å; V84-G88 PolarHBondContact O-N 3.12Å; L86-G88 PolarHBondContact O-N 3Å; G88-I90 VanDerWaalsContact C-N 3.3Å; G88-I90 PolarHBondContact O-N 2.95Å; G88-G91 PolarHBondContact O-N 3.5Å; G88-V92 WeakPolarHBondContact O-CG2 3.38Å; G88-V92 PolarHBondContact O-N 3.1Å
89L93.8Very high89.8Confident85 Ų8560.4 Ų60.445%0.44528%0.284SS..Hα-helixtrans-57.5-44.5174.3177.762.9000111.3L85 L86 S87 V92 V93L85-L89 WeakPolarHBondContact O-CB 3.45Å; L85-L89 PolarHBondContact O-N 3.36Å; L86-L89 PolarHBondContact O-N 2.93Å; S87-L89 PolarHBondContact O-N 3.47Å; L89-V92 CarbonylContact O-C 3.48Å; L89-V92 PolarHBondContact O-N 3.43Å; L89-V93 WeakPolarHBondContact O-CG2 3.21Å; L89-V93 PolarHBondContact O-N 2.89Å
90I92.2Very high89.3Confident29 Ų2956 Ų5615%0.14928%0.279CS..Hα-helixtrans-68.9-38.9179.4-67.9161.4000110.8L86 S87 G88 V92 V93 S94 V102 F105 F106 L109L86-I90 WeakPolarHBondContact O-CB 3.34Å; L86-I90 WeakPolarHBondContact O-CD1 3.39Å; L86-I90 VanDerWaalsContact O-CG1 3.29Å; L86-I90 WeakPolarHBondContact O-CG1 3.33Å; L86-I90 PolarHBondContact O-N 3.46Å; S87-I90 PolarHBondContact O-N 3.13Å; G88-I90 VanDerWaalsContact C-N 3.3Å; G88-I90 PolarHBondContact O-N 2.95Å; I90-V92 VanDerWaalsContact C-N 3.29Å; I90-V92 PolarHBondContact O-N 3.3Å; I90-V93 CarbonylContact O-C 3.22Å; I90-V93 WeakPolarHBondContact O-CA 3.42Å; I90-V93 PolarHBondContact O-N 3Å; I90-S94 PolarHBondContact O-N 2.77Å; I90-S94 PolarHBondContact O-OG 2.94Å; I90-V102 HydrophobicContact CG2-CG1 3.88Å; I90-F105 HydrophobicContact CD1-CD1 4.02Å; I90-F105 HydrophobicContact CD1-CE1 3.58Å; I90-F105 HydrophobicContact CD1-CZ 4.5Å; I90-F105 HydrophobicContact CG2-CD1 4.28Å; I90-F106 HydrophobicContact CG2-CB 4.07Å; I90-L109 HydrophobicContact CD1-CD1 3.3Å
91G90.4Very high88.8Confident0 Ų062.7 Ų62.70%031%0.314CS..Hα-helixtrans-57.7-38.8170.600000113.1S87 G88 V93 W95S87-G91 PolarHBondContact O-N 3.32Å; G88-G91 PolarHBondContact O-N 3.5Å; G91-V93 VanDerWaalsContact C-N 3.32Å; G91-W95 PolarHBondContact O-N 3.36Å
92V91.6Very high88.5Confident43 Ų4364.3 Ų64.326%0.26132%0.323SS..Hα-helixtrans-74.3-18.3174.2177.60000112.9L43 V47 G88 L89 I90 W95L43-V92 HydrophobicContact CD1-CG1 4.48Å; L43-V92 HydrophobicContact CD1-CG2 4.39Å; V47-V92 HydrophobicContact CG2-CG2 3.9Å; G88-V92 WeakPolarHBondContact O-CG2 3.38Å; G88-V92 PolarHBondContact O-N 3.1Å; L89-V92 CarbonylContact O-C 3.48Å; L89-V92 PolarHBondContact O-N 3.43Å; I90-V92 VanDerWaalsContact C-N 3.29Å; I90-V92 PolarHBondContact O-N 3.3Å; V92-W95 WeakPolarHBondContact O-CB 3.28Å
93V88.9Confident88Confident83 Ų8360.2 Ų60.250%0.50331%0.306SS..Hα-helixtrans-83.2-45.2169172.80000111.2L89 I90 G91 W95 K96 R97L89-V93 WeakPolarHBondContact O-CG2 3.21Å; L89-V93 PolarHBondContact O-N 2.89Å; I90-V93 CarbonylContact O-C 3.22Å; I90-V93 WeakPolarHBondContact O-CA 3.42Å; I90-V93 PolarHBondContact O-N 3Å; G91-V93 VanDerWaalsContact C-N 3.32Å; V93-W95 PolarHBondContact O-N 2.94Å; V93-K96 PolarHBondContact O-N 3.08Å; V93-R97 PolarHBondContact O-N 2.94Å
94S86.4Confident87.6Confident1 Ų161.6 Ų61.61%0.00731%0.314CS..Hα-helixtrans-52.4-35.7170.4-63.50000111.7I90 K96 R97 P98 V102I90-S94 PolarHBondContact O-N 2.77Å; I90-S94 PolarHBondContact O-OG 2.94Å; S94-K96 VanDerWaalsContact C-N 3.29Å; S94-K96 PolarHBondContact O-N 2.74Å; S94-R97 CarbonylContact O-C 3.49Å; S94-P98 WeakPolarHBondContact O-CA 3.41Å; S94-V102 VanDerWaalsContact OG-CG1 3.24Å; S94-V102 WeakPolarHBondContact OG-CG1 3.28Å
95W83.5Confident87.3Confident90 Ų9066.7 Ų66.734%0.34134%0.336SS..Hα-helixtrans-51.4-46.9171.2179-114.3000113.6T39 L43 G91 V92 V93T39-W95 HydrophobicContact CG2-CZ3 4.39Å; T39-W95 WeakPolarHBondContact O-CZ3 2.99Å; L43-W95 HydrophobicContact CB-CD2 3.71Å; L43-W95 HydrophobicContact CB-CE3 3.81Å; L43-W95 HydrophobicContact CB-CG 4.12Å; L43-W95 HydrophobicContact CB-CZ3 4.35Å; L43-W95 HydrophobicContact CD1-CB 4.31Å; L43-W95 HydrophobicContact CD1-CD2 4.24Å; L43-W95 HydrophobicContact CD1-CG 3.8Å; L43-W95 HydrophobicContact CD2-CD2 4.29Å; L43-W95 HydrophobicContact CD2-CZ2 4.35Å; L43-W95 HydrophobicContact CG-CD2 4.29Å; L43-W95 HydrophobicContact CG-CG 4.35Å; G91-W95 PolarHBondContact O-N 3.36Å; V92-W95 WeakPolarHBondContact O-CB 3.28Å; V93-W95 PolarHBondContact O-N 2.94Å
96K83.4Confident87Confident180 Ų18064.8 Ų64.878%0.78333%0.326SS*.Hα-helixtrans-81.7-30.6-170.9-164.2178.4-177.769.10112V93 S94V93-K96 PolarHBondContact O-N 3.08Å; S94-K96 VanDerWaalsContact C-N 3.29Å; S94-K96 PolarHBondContact O-N 2.74Å
97R79.3Confident86.7Confident187 Ų18763.5 Ų63.571%0.70632%0.319SS*.  trans-147.2103.2171.4-67.9-166.3177.7-152.4-1.5110.1V93 S94 L99V93-R97 PolarHBondContact O-N 2.94Å; S94-R97 CarbonylContact O-C 3.49Å; R97-L99 HydrophobicContact CB-CG 4.42Å; R97-L99 PolarHBondContact O-N 2.96Å
98P74.3Confident86.6Confident67 Ų6768.4 Ų68.444%0.43535%0.345SS..  trans-78.268.7179.132.4-35.8000111.1S94 I103S94-P98 WeakPolarHBondContact O-CA 3.41Å; P98-I103 HydrophobicContact CB-CD1 4.17Å
99L81.6Confident86.4Confident108 Ų10870.1 Ų70.157%0.56535%0.353SS*.  trans-74.3134.6169.5-60.6175.8000108.8R97 L101 V102 I103R97-L99 HydrophobicContact CB-CG 4.42Å; R97-L99 PolarHBondContact O-N 2.96Å; L99-L101 VanDerWaalsContact C-N 3.27Å; L99-L101 PolarHBondContact O-N 3.37Å; L99-V102 HydrophobicContact CB-CG2 3.98Å; L99-V102 HydrophobicContact CD1-CG2 4.47Å; L99-V102 PolarHBondContact O-N 3.15Å; L99-I103 PolarHBondContact O-N 3.14Å
100S79.3Confident86.3Confident76 Ų7666 Ų6653%0.53133%0.332SS..Hα-helixtrans-52.8-43.1-174.8-172.60000113V102 I103 T104S100-V102 VanDerWaalsContact C-N 3.27Å; S100-V102 PolarHBondContact O-N 3.28Å; S100-I103 WeakPolarHBondContact O-CB 3.45Å; S100-I103 PolarHBondContact O-N 3.1Å; S100-I103 VanDerWaalsContact O-N 3.09Å; S100-T104 PolarHBondContact O-N 3.35Å; S100-T104 PolarHBondContact O-OG1 3.25Å
101L82.8Confident86.3Confident143 Ų14366.6 Ų66.675%0.74934%0.341SS*.Hα-helixtrans-58.8-31.4176.3-62.3177.5000114.3L99 T104 F105L99-L101 VanDerWaalsContact C-N 3.27Å; L99-L101 PolarHBondContact O-N 3.37Å; L101-T104 WeakPolarHBondContact CA-OG1 3.1Å; L101-T104 PolarHBondContact O-OG1 3.41Å; L101-F105 VanDerWaalsContact O-CB 3.23Å; L101-F105 WeakPolarHBondContact O-CB 3.41Å; L101-F105 PolarHBondContact O-N 3.27Å
102V87.8Confident86.5Confident34 Ų3470.2 Ų70.221%0.20636%0.363CS..Hα-helixtrans-83.1-28.4179.7-164.50000110.3I90 S94 L99 S100 F106I90-V102 HydrophobicContact CG2-CG1 3.88Å; S94-V102 VanDerWaalsContact OG-CG1 3.24Å; S94-V102 WeakPolarHBondContact OG-CG1 3.28Å; L99-V102 HydrophobicContact CB-CG2 3.98Å; L99-V102 HydrophobicContact CD1-CG2 4.47Å; L99-V102 PolarHBondContact O-N 3.15Å; S100-V102 VanDerWaalsContact C-N 3.27Å; S100-V102 PolarHBondContact O-N 3.28Å; V102-F106 WeakPolarHBondContact O-CB 3.15Å; V102-F106 PolarHBondContact O-N 3.37Å
103I83.3Confident86.6Confident17 Ų1768.1 Ų68.19%0.08735%0.351CS..Hα-helixtrans-68.5-46171.8-59.8170000110.3P98 L99 S100 F106 M107P98-I103 HydrophobicContact CB-CD1 4.17Å; L99-I103 PolarHBondContact O-N 3.14Å; S100-I103 WeakPolarHBondContact O-CB 3.45Å; S100-I103 PolarHBondContact O-N 3.1Å; S100-I103 VanDerWaalsContact O-N 3.09Å; I103-F106 PolarHBondContact O-N 3.23Å; I103-M107 WeakPolarHBondContact O-CB 3.5Å; I103-M107 PolarHBondContact O-N 2.95Å
104T86.6Confident86.9Confident43 Ų4365.9 Ų65.926%0.26434%0.337SS..Hα-helixtrans-67.7-40.6176.4510000112.2S100 L101 F106 M107 L108 M211S100-T104 PolarHBondContact O-N 3.35Å; S100-T104 PolarHBondContact O-OG1 3.25Å; L101-T104 WeakPolarHBondContact CA-OG1 3.1Å; L101-T104 PolarHBondContact O-OG1 3.41Å; T104-F106 PolarHBondContact O-N 3.25Å; T104-M107 PolarHBondContact O-N 3.47Å; T104-L108 WeakPolarHBondContact O-CG 3.31Å; T104-L108 PolarHBondContact O-N 2.97Å; T104-M211 HydrophobicContact CG2-SD 4.02Å
105F88.7Confident87.2Confident109 Ų10972 Ų7248%0.47837%0.367SS..Hα-helixtrans-63.3-40.5173.9-172.7-127.2000112.5I90 L101 L108 L109I90-F105 HydrophobicContact CD1-CD1 4.02Å; I90-F105 HydrophobicContact CD1-CE1 3.58Å; I90-F105 HydrophobicContact CD1-CZ 4.5Å; I90-F105 HydrophobicContact CG2-CD1 4.28Å; L101-F105 VanDerWaalsContact O-CB 3.23Å; L101-F105 WeakPolarHBondContact O-CB 3.41Å; L101-F105 PolarHBondContact O-N 3.27Å; F105-L108 PolarHBondContact O-N 2.98Å; F105-L109 HydrophobicContact CD1-CD1 3.98Å; F105-L109 HydrophobicContact CD2-CD1 4.38Å; F105-L109 HydrophobicContact CD2-CG 4.42Å; F105-L109 HydrophobicContact CE1-CD1 3.65Å; F105-L109 HydrophobicContact CE2-CD1 4.06Å; F105-L109 HydrophobicContact CE2-CG 4.19Å; F105-L109 HydrophobicContact CG-CD1 4.34Å; F105-L109 HydrophobicContact CZ-CD1 3.69Å; F105-L109 HydrophobicContact CZ-CG 4.29Å; F105-L109 WeakPolarHBondContact O-CB 3.38Å; F105-L109 WeakPolarHBondContact O-CG 3.13Å; F105-L109 PolarHBondContact O-N 2.93Å
106F89.3Confident87.7Confident3 Ų370.9 Ų70.91%0.01337%0.367CS..Hα-helixtrans-62.4-42.3173.8179.9-134.6000111.9M42 Q49 S87 I90 V102 I103 T104 L109 S110 A203 C207M42-F106 HydrophobicContact SD-CE1 4.46Å; Q49-F106 VanDerWaalsContact OE1-CE2 3.32Å; S87-F106 VanDerWaalsContact O-CD2 3.31Å; S87-F106 WeakPolarHBondContact O-CD2 3.45Å; S87-F106 WeakPolarHBondContact O-CE2 3.41Å; S87-F106 WeakPolarHBondContact OG-CE2 3.13Å; I90-F106 HydrophobicContact CG2-CB 4.07Å; V102-F106 WeakPolarHBondContact O-CB 3.15Å; V102-F106 PolarHBondContact O-N 3.37Å; I103-F106 PolarHBondContact O-N 3.23Å; T104-F106 PolarHBondContact O-N 3.25Å; F106-L109 PolarHBondContact O-N 3.13Å; F106-S110 WeakPolarHBondContact O-CB 3.17Å; F106-S110 PolarHBondContact O-N 3.3Å; F106-S110 PolarHBondContact O-OG 3.04Å; F106-A203 HydrophobicContact CE1-CB 4.46Å; F106-A203 HydrophobicContact CZ-CB 3.99Å; F106-C207 WeakPolarHBondContact CD1-SG 3.47Å; F106-C207 WeakPolarHBondContact CE1-SG 3.45Å
107M89.6Confident88.2Confident36 Ų3662.3 Ų62.318%0.17733%0.33CS..Hα-helixtrans-64.7-43.6177.2-174.7-85.5-73.100112.7I103 T104 S110 A111 T204 C207 M211I103-M107 WeakPolarHBondContact O-CB 3.5Å; I103-M107 PolarHBondContact O-N 2.95Å; T104-M107 PolarHBondContact O-N 3.47Å; M107-S110 WeakPolarHBondContact CA-OG 3.14Å; M107-S110 PolarHBondContact O-N 2.87Å; M107-S110 PolarHBondContact O-OG 3.47Å; M107-S110 VanDerWaalsContact O-OG 3.05Å; M107-A111 WeakPolarHBondContact O-CB 3.42Å; M107-A111 PolarHBondContact O-N 3.49Å; M107-T204 HydrophobicContact CG-CG2 4.3Å; M107-C207 HydrophobicContact CB-CB 3.82Å; M107-C207 HydrophobicContact CG-CB 3.99Å; M107-M211 HydrophobicContact CE-SD 4.48Å
108L90.8Very high88.8Confident103 Ų10357.7 Ų57.754%0.53932%0.319SS..Hα-helixtrans-63.6-43.3174.4-69.8171.8000111.3T104 F105 A111 V112T104-L108 WeakPolarHBondContact O-CG 3.31Å; T104-L108 PolarHBondContact O-N 2.97Å; F105-L108 PolarHBondContact O-N 2.98Å; L108-A111 PolarHBondContact O-N 2.94Å; L108-V112 WeakPolarHBondContact O-CG2 3.39Å; L108-V112 PolarHBondContact O-N 3.46Å
109L90.4Very high89.7Confident35 Ų3556.6 Ų56.618%0.18332%0.315CS..Hα-helixtrans-68.2-32.6175.8-73.7176.1000113.1I90 F105 F106 C113I90-L109 HydrophobicContact CD1-CD1 3.3Å; F105-L109 HydrophobicContact CD1-CD1 3.98Å; F105-L109 HydrophobicContact CD2-CD1 4.38Å; F105-L109 HydrophobicContact CD2-CG 4.42Å; F105-L109 HydrophobicContact CE1-CD1 3.65Å; F105-L109 HydrophobicContact CE2-CD1 4.06Å; F105-L109 HydrophobicContact CE2-CG 4.19Å; F105-L109 HydrophobicContact CG-CD1 4.34Å; F105-L109 HydrophobicContact CZ-CD1 3.69Å; F105-L109 HydrophobicContact CZ-CG 4.29Å; F105-L109 WeakPolarHBondContact O-CB 3.38Å; F105-L109 WeakPolarHBondContact O-CG 3.13Å; F105-L109 PolarHBondContact O-N 2.93Å; F106-L109 PolarHBondContact O-N 3.13Å; L109-C113 WeakPolarHBondContact O-CB 3.15Å; L109-C113 PolarHBondContact O-N 3.43Å
110S91.5Very high90.2Very high0 Ų051.6 Ų51.60%029%0.29CS..Hα-helixtrans-75.2-28.8175.667.20000112.1F106 M107 C113 V114 T204F106-S110 WeakPolarHBondContact O-CB 3.17Å; F106-S110 PolarHBondContact O-N 3.3Å; F106-S110 PolarHBondContact O-OG 3.04Å; M107-S110 WeakPolarHBondContact CA-OG 3.14Å; M107-S110 PolarHBondContact O-N 2.87Å; M107-S110 PolarHBondContact O-OG 3.47Å; M107-S110 VanDerWaalsContact O-OG 3.05Å; S110-C113 WeakPolarHBondContact O-CB 3.48Å; S110-V114 WeakPolarHBondContact O-CG2 3.17Å; S110-V114 PolarHBondContact O-N 2.87Å; S110-T204 VanDerWaalsContact CB-OG1 3.29Å; S110-T204 WeakPolarHBondContact CB-OG1 3.13Å; S110-T204 WeakPolarHBondContact OG-CA 3.37Å; S110-T204 PolarHBondContact OG-OG1 3.06Å
111A92.8Very high90.8Very high41 Ų4148.4 Ų48.434%0.33927%0.268SS..Hα-helixtrans-67.6-46.9167.800000112.1M107 L108 C113 V114 M115M107-A111 WeakPolarHBondContact O-CB 3.42Å; M107-A111 PolarHBondContact O-N 3.49Å; L108-A111 PolarHBondContact O-N 2.94Å; A111-C113 VanDerWaalsContact C-N 3.3Å; A111-C113 PolarHBondContact O-N 2.84Å; A111-V114 PolarHBondContact O-N 3.24Å; A111-M115 PolarHBondContact O-N 3.48Å
112V94.6Very high91.2Very high75 Ų7545.8 Ų45.846%0.45525%0.254SS..Hα-helixtrans-62.6-38173.5172.60000111.2L108 V114 M115 L116L108-V112 WeakPolarHBondContact O-CG2 3.39Å; L108-V112 PolarHBondContact O-N 3.46Å; V112-V114 PolarHBondContact O-N 2.94Å; V112-M115 PolarHBondContact O-N 3.09Å; V112-L116 HydrophobicContact CG1-CD1 3.8Å; V112-L116 HydrophobicContact CG1-CG 4.22Å; V112-L116 WeakPolarHBondContact O-CB 3.44Å; V112-L116 WeakPolarHBondContact O-CG 3.17Å; V112-L116 PolarHBondContact O-N 3.4Å
113C93.4Very high91.2Very high0 Ų047 Ų470%026%0.259CS..Hα-helixtrans-55.5-50.4171.5171.10000111.5V84 L109 S110 A111 M115 L116 N117 C200V84-C113 WeakPolarHBondContact CG2-SG 3.31Å; L109-C113 WeakPolarHBondContact O-CB 3.15Å; L109-C113 PolarHBondContact O-N 3.43Å; S110-C113 WeakPolarHBondContact O-CB 3.48Å; A111-C113 VanDerWaalsContact C-N 3.3Å; A111-C113 PolarHBondContact O-N 2.84Å; C113-M115 VanDerWaalsContact C-N 3.32Å; C113-M115 PolarHBondContact O-N 3.28Å; C113-L116 PolarHBondContact O-N 3.41Å; C113-N117 WeakPolarHBondContact O-CB 3.41Å; C113-N117 PolarHBondContact O-N 2.98Å; C113-N117 PolarHBondContact O-ND2 2.79Å; C113-N117 PolarHBondContact SG-ND2 3Å; C113-C200 HydrophobicContact CB-CB 3.82Å; C113-C200 WeakPolarHBondContact CB-SG 3.06Å; C113-C200 WeakPolarHBondContact SG-CB 3.22Å; C113-C200 CovalentContact SG-SG 2.04Å; C113-C200 PolarHBondContact SG-SG 2.8Å
114V95.4Very high91.4Very high36 Ų3646.3 Ų46.322%0.21826%0.255CS..Hα-helixtrans-56-46.8177.9163.90000111S110 A111 V112 N117 L118 T197 C200 A201S110-V114 WeakPolarHBondContact O-CG2 3.17Å; S110-V114 PolarHBondContact O-N 2.87Å; A111-V114 PolarHBondContact O-N 3.24Å; V112-V114 PolarHBondContact O-N 2.94Å; V114-N117 PolarHBondContact O-N 2.89Å; V114-L118 VanDerWaalsContact O-CB 3.32Å; V114-L118 WeakPolarHBondContact O-CB 3.4Å; V114-L118 PolarHBondContact O-N 3.01Å; V114-T197 HydrophobicContact CG1-CG2 4.06Å; V114-T197 HydrophobicContact CG2-CG2 4.48Å; V114-C200 HydrophobicContact CG2-CB 3.86Å; V114-A201 HydrophobicContact CG2-CB 4.07Å
115M93.4Very high91.4Very high130 Ų13046.9 Ų46.964%0.6426%0.26SS*.Hα-helixtrans-63.1-44.4178.7-65.2-62.4-72.300112.6A111 V112 C113 L118 A119A111-M115 PolarHBondContact O-N 3.48Å; V112-M115 PolarHBondContact O-N 3.09Å; C113-M115 VanDerWaalsContact C-N 3.32Å; C113-M115 PolarHBondContact O-N 3.28Å; M115-L118 PolarHBondContact O-N 3.36Å; M115-A119 WeakPolarHBondContact O-CB 3.23Å; M115-A119 PolarHBondContact O-N 3.25Å
116L93.4Very high91.4Very high66 Ų6646.9 Ų46.935%0.34626%0.262SS..Hα-helixtrans-69.9-34.6179.6-71175.3000113A80 V112 C113 G120A80-L116 HydrophobicContact CB-CB 4.09Å; V112-L116 HydrophobicContact CG1-CD1 3.8Å; V112-L116 HydrophobicContact CG1-CG 4.22Å; V112-L116 WeakPolarHBondContact O-CB 3.44Å; V112-L116 WeakPolarHBondContact O-CG 3.17Å; V112-L116 PolarHBondContact O-N 3.4Å; C113-L116 PolarHBondContact O-N 3.41Å; L116-G120 PolarHBondContact O-N 3.19Å
117N93.9Very high91Very high0 Ų047.8 Ų47.80%027%0.267CS..Hα-helixtrans-76.9-31.8176.3-75.1-100.3000111.8V84 C113 V114 G120 S121 S196 T197V84-N117 WeakPolarHBondContact CG2-ND2 3.49Å; C113-N117 WeakPolarHBondContact O-CB 3.41Å; C113-N117 PolarHBondContact O-N 2.98Å; C113-N117 PolarHBondContact O-ND2 2.79Å; C113-N117 PolarHBondContact SG-ND2 3Å; V114-N117 PolarHBondContact O-N 2.89Å; N117-G120 PolarHBondContact O-N 3.36Å; N117-S121 WeakPolarHBondContact O-CB 3.49Å; N117-S121 PolarHBondContact O-N 3.25Å; N117-S121 PolarHBondContact O-OG 3.19Å; N117-S196 WeakPolarHBondContact OD1-CB 3.46Å; N117-S196 PolarHBondContact OD1-OG 3.04Å; N117-T197 WeakPolarHBondContact CB-OG1 3.44Å
118L92.9Very high90.7Very high89 Ų8946.9 Ų46.947%0.46627%0.265SS..Hα-helixtrans-63.1-50.6169.7-179.761000110.8V114 M115 G120 S121 I122V114-L118 VanDerWaalsContact O-CB 3.32Å; V114-L118 WeakPolarHBondContact O-CB 3.4Å; V114-L118 PolarHBondContact O-N 3.01Å; M115-L118 PolarHBondContact O-N 3.36Å; L118-G120 VanDerWaalsContact C-N 3.35Å; L118-G120 PolarHBondContact O-N 2.98Å; L118-S121 WeakPolarHBondContact O-CB 3.29Å; L118-S121 PolarHBondContact O-N 2.86Å; L118-I122 HydrophobicContact CD1-CD1 4.33Å; L118-I122 HydrophobicContact CG-CD1 4.2Å; L118-I122 WeakPolarHBondContact O-CG1 3.49Å; L118-I122 PolarHBondContact O-N 3.47Å
119A93.6Very high90.3Very high44 Ų4448.8 Ų48.836%0.36427%0.271SS..Hα-helixtrans-59.2-44.6174.600000112M115 S121 I122 L123M115-A119 WeakPolarHBondContact O-CB 3.23Å; M115-A119 PolarHBondContact O-N 3.25Å; A119-S121 VanDerWaalsContact C-N 3.32Å; A119-S121 PolarHBondContact O-N 3.15Å; A119-I122 PolarHBondContact O-N 2.87Å; A119-L123 WeakPolarHBondContact O-CB 3.44Å; A119-L123 WeakPolarHBondContact O-CG 3.36Å; A119-L123 PolarHBondContact O-N 3.2Å
120G91.3Very high89.6Confident3 Ų350.5 Ų50.53%0.03128%0.28CS..Hα-helixtrans-62.9-33.8175.900000113.7L116 N117 L118 S124 N193L116-G120 PolarHBondContact O-N 3.19Å; N117-G120 PolarHBondContact O-N 3.36Å; L118-G120 VanDerWaalsContact C-N 3.35Å; L118-G120 PolarHBondContact O-N 2.98Å; G120-S124 VanDerWaalsContact O-CB 3.23Å; G120-S124 WeakPolarHBondContact O-CB 3.44Å; G120-S124 PolarHBondContact O-N 2.98Å; G120-S124 PolarHBondContact O-OG 3.31Å; G120-N193 VanDerWaalsContact C-ND2 3.29Å; G120-N193 PolarHBondContact O-ND2 2.92Å
121S90.9Very high88.9Confident10 Ų1050.7 Ų50.77%0.0728%0.281CS..Hα-helixtrans-66.9-49.6172.8-57.60000110.7N117 L118 A119 L123 S124 C125 C190 N193N117-S121 WeakPolarHBondContact O-CB 3.49Å; N117-S121 PolarHBondContact O-N 3.25Å; N117-S121 PolarHBondContact O-OG 3.19Å; L118-S121 WeakPolarHBondContact O-CB 3.29Å; L118-S121 PolarHBondContact O-N 2.86Å; A119-S121 VanDerWaalsContact C-N 3.32Å; A119-S121 PolarHBondContact O-N 3.15Å; S121-L123 PolarHBondContact O-N 3.49Å; S121-S124 PolarHBondContact O-N 3.35Å; S121-C125 WeakPolarHBondContact O-CB 3.47Å; S121-C125 PolarHBondContact O-N 3.4Å; S121-C190 PolarHBondContact O-SG 2.97Å; S121-N193 WeakPolarHBondContact OG-CB 3.41Å
122I91.5Very high88.2Confident88 Ų8852.7 Ų52.745%0.45129%0.286SS..Hα-helixtrans-57.6-50.5178.3-65.7162.6000110.3L118 A119 S124 C125 Q126L118-I122 HydrophobicContact CD1-CD1 4.33Å; L118-I122 HydrophobicContact CG-CD1 4.2Å; L118-I122 WeakPolarHBondContact O-CG1 3.49Å; L118-I122 PolarHBondContact O-N 3.47Å; A119-I122 PolarHBondContact O-N 2.87Å; I122-S124 PolarHBondContact O-N 3.37Å; I122-C125 PolarHBondContact O-N 2.78Å; I122-Q126 HydrophobicContact CG2-CG 4.49Å; I122-Q126 WeakPolarHBondContact O-CB 3.37Å; I122-Q126 VanDerWaalsContact O-CG 3.28Å; I122-Q126 WeakPolarHBondContact O-CG 3.34Å; I122-Q126 PolarHBondContact O-N 3.24Å
123L88.4Confident87.2Confident60 Ų6051 Ų5131%0.31428%0.277SS..Hα-helixtrans-58.9-44.3176.3-74.4164.3000112.3A119 S121 N127A119-L123 WeakPolarHBondContact O-CB 3.44Å; A119-L123 WeakPolarHBondContact O-CG 3.36Å; A119-L123 PolarHBondContact O-N 3.2Å; S121-L123 PolarHBondContact O-N 3.49Å; L123-N127 WeakPolarHBondContact O-CB 3.28Å; L123-N127 PolarHBondContact O-N 3.21Å; L123-N127 PolarHBondContact O-ND2 2.05Å
124S87.6Confident86.1Confident2 Ų251.1 Ų51.11%0.01428%0.278CS..Hα-helixtrans-68.5-41.8-178.1-58.40000112G120 S121 I122 N127 A128 V189G120-S124 VanDerWaalsContact O-CB 3.23Å; G120-S124 WeakPolarHBondContact O-CB 3.44Å; G120-S124 PolarHBondContact O-N 2.98Å; G120-S124 PolarHBondContact O-OG 3.31Å; S121-S124 PolarHBondContact O-N 3.35Å; I122-S124 PolarHBondContact O-N 3.37Å; S124-N127 PolarHBondContact O-N 2.73Å; S124-A128 WeakPolarHBondContact O-CB 3.49Å; S124-A128 PolarHBondContact O-N 2.64Å; S124-V189 WeakPolarHBondContact OG-CG1 3.32Å
125C86.7Confident84.7Confident54 Ų5454.5 Ų54.537%0.36529%0.292SS..Hα-helixtrans-73.7-31178.1-84.80000112.8S121 I122 A128 Q129 C190S121-C125 WeakPolarHBondContact O-CB 3.47Å; S121-C125 PolarHBondContact O-N 3.4Å; I122-C125 PolarHBondContact O-N 2.78Å; C125-A128 PolarHBondContact O-N 3.21Å; C125-Q129 WeakPolarHBondContact O-CG 3.36Å; C125-Q129 PolarHBondContact O-N 3.42Å; C125-C190 HydrophobicContact CB-CB 4.27Å; C125-C190 WeakPolarHBondContact CB-SG 3.23Å; C125-C190 WeakPolarHBondContact SG-CB 3.46Å; C125-C190 CovalentContact SG-SG 2.05Å; C125-C190 PolarHBondContact SG-SG 3.04Å
126Q87.6Confident83.1Confident109 Ų10956.1 Ų56.151%0.50930%0.298SS..Hα-helixtrans-62.3-47.6166.9-77.7174.2-15.100111.5I122 A128 Q129 L130I122-Q126 HydrophobicContact CG2-CG 4.49Å; I122-Q126 WeakPolarHBondContact O-CB 3.37Å; I122-Q126 VanDerWaalsContact O-CG 3.28Å; I122-Q126 WeakPolarHBondContact O-CG 3.34Å; I122-Q126 PolarHBondContact O-N 3.24Å; Q126-A128 VanDerWaalsContact C-N 3.29Å; Q126-A128 PolarHBondContact O-N 3.45Å; Q126-Q129 WeakPolarHBondContact O-CB 3.39Å; Q126-Q129 PolarHBondContact O-N 3.19Å; Q126-Q129 VanDerWaalsContact O-N 3.16Å; Q126-L130 PolarHBondContact O-N 2.81Å
127N81.9Confident82.1Confident22 Ų2253.8 Ų53.812%0.11829%0.287CS..Hα-helixtrans-64-33.8176.1-78-68.5000112.2L123 S124 L130 V131 L186L123-N127 WeakPolarHBondContact O-CB 3.28Å; L123-N127 PolarHBondContact O-N 3.21Å; L123-N127 PolarHBondContact O-ND2 2.05Å; S124-N127 PolarHBondContact O-N 2.73Å; N127-L130 PolarHBondContact O-N 3.18Å; N127-V131 WeakPolarHBondContact O-CG2 3.44Å; N127-V131 PolarHBondContact O-N 2.89Å; N127-L186 HydrophobicContact CB-CD1 4.12Å; N127-L186 HydrophobicContact CB-CD2 4.1Å
128A82.3Confident80.9Confident17 Ų1761.5 Ų61.514%0.1432%0.32CS..Hα-helixtrans-67.1-33.3173.900000112.8S124 C125 Q126 N132 L186S124-A128 WeakPolarHBondContact O-CB 3.49Å; S124-A128 PolarHBondContact O-N 2.64Å; C125-A128 PolarHBondContact O-N 3.21Å; Q126-A128 VanDerWaalsContact C-N 3.29Å; Q126-A128 PolarHBondContact O-N 3.45Å; A128-N132 WeakPolarHBondContact O-CB 3.24Å; A128-N132 PolarHBondContact O-N 2.88Å; A128-L186 HydrophobicContact CB-CB 4.16Å
129Q82.4Confident79.9Confident144 Ų14461.7 Ų61.767%0.67332%0.321SS*.Hα-helixtrans-68.2-43.4171.3-74.2178.6-1600111.6C125 Q126 N132 S133C125-Q129 WeakPolarHBondContact O-CG 3.36Å; C125-Q129 PolarHBondContact O-N 3.42Å; Q126-Q129 WeakPolarHBondContact O-CB 3.39Å; Q126-Q129 PolarHBondContact O-N 3.19Å; Q126-Q129 VanDerWaalsContact O-N 3.16Å; Q129-N132 CarbonylContact O-C 3.57Å; Q129-N132 WeakPolarHBondContact O-CA 3.46Å; Q129-N132 VanDerWaalsContact O-CB 3.29Å; Q129-N132 WeakPolarHBondContact O-CB 3.38Å; Q129-N132 PolarHBondContact O-N 3.44Å; Q129-S133 PolarHBondContact O-N 3.04Å; Q129-S133 VanDerWaalsContact O-N 3.09Å
130L76.2Confident78.7Confident70 Ų7061.7 Ų61.737%0.36632%0.317SS..Hα-helixtrans-60.6-45.3175.1-177.267.2000112.2Q126 N127 N132 S133 L134Q126-L130 PolarHBondContact O-N 2.81Å; N127-L130 PolarHBondContact O-N 3.18Å; L130-N132 PolarHBondContact O-N 3.4Å; L130-N132 VanDerWaalsContact O-N 3.12Å; L130-S133 PolarHBondContact O-N 3.06Å; L130-S133 VanDerWaalsContact O-N 3.13Å; L130-S133 PolarHBondContact O-OG 3.16Å; L130-L134 HydrophobicContact CG-CD1 4.48Å; L130-L134 VanDerWaalsContact O-CG 3.31Å; L130-L134 WeakPolarHBondContact O-CG 3.4Å; L130-L134 PolarHBondContact O-N 2.91Å
131V76.3Confident77.3Confident5 Ų566.8 Ų66.83%0.0335%0.349CS..Hα-helixtrans-66.5-14.2175.5176.40000112.4N127 L167 R179 L182 K183 L186N127-V131 WeakPolarHBondContact O-CG2 3.44Å; N127-V131 PolarHBondContact O-N 2.89Å; V131-L167 HydrophobicContact CG2-CD2 4.16Å; V131-R179 HydrophobicContact CG1-CG 3.96Å; V131-L182 HydrophobicContact CG2-CD2 4.19Å; V131-L182 HydrophobicContact CG2-CG 4.5Å; V131-K183 HydrophobicContact CG1-CB 3.92Å; V131-L186 HydrophobicContact CB-CD1 4.28Å; V131-L186 HydrophobicContact CG2-CD1 3.66Å
132N78.8Confident75.6Confident83 Ų8372.6 Ų72.644%0.44437%0.373SS..Hα-helixtrans-88.2-26.5172.2-161.688.7000114.1A128 Q129 L130 K183A128-N132 WeakPolarHBondContact O-CB 3.24Å; A128-N132 PolarHBondContact O-N 2.88Å; Q129-N132 CarbonylContact O-C 3.57Å; Q129-N132 WeakPolarHBondContact O-CA 3.46Å; Q129-N132 VanDerWaalsContact O-CB 3.29Å; Q129-N132 WeakPolarHBondContact O-CB 3.38Å; Q129-N132 PolarHBondContact O-N 3.44Å; L130-N132 PolarHBondContact O-N 3.4Å; L130-N132 VanDerWaalsContact O-N 3.12Å; N132-K183 WeakPolarHBondContact OD1-CE 3.43Å; N132-K183 PolarHBondContact OD1-NZ 3.34Å
133S73.7Confident73.6Confident38 Ų3875.6 Ų75.627%0.26639%0.39SS..Hα-helixtrans-81.3-24.1173.559.70000113.2Q129 L130 E135 E152Q129-S133 PolarHBondContact O-N 3.04Å; Q129-S133 VanDerWaalsContact O-N 3.09Å; L130-S133 PolarHBondContact O-N 3.06Å; L130-S133 VanDerWaalsContact O-N 3.13Å; L130-S133 PolarHBondContact O-OG 3.16Å; S133-E135 VanDerWaalsContact C-N 3.28Å; S133-E135 PolarHBondContact O-N 2.92Å; S133-E152 VanDerWaalsContact CB-OE2 3.26Å; S133-E152 WeakPolarHBondContact CB-OE2 3.26Å; S133-E152 PolarHBondContact OG-OE2 2.96Å
134L71Confident72Confident3 Ų380.7 Ų80.72%0.01642%0.418CS..  trans-72.472.8171.5-64.6174000111.2L130 C150 E152 L167 R179L130-L134 HydrophobicContact CG-CD1 4.48Å; L130-L134 VanDerWaalsContact O-CG 3.31Å; L130-L134 WeakPolarHBondContact O-CG 3.4Å; L130-L134 PolarHBondContact O-N 2.91Å; L134-C150 HydrophobicContact CB-CB 4.18Å; L134-C150 HydrophobicContact CD1-CB 4.24Å; L134-C150 HydrophobicContact CD2-CB 4.35Å; L134-E152 HydrophobicContact CD2-CB 4.36Å; L134-L167 HydrophobicContact CD1-CB 3.7Å; L134-L167 HydrophobicContact CD1-CD2 3.7Å; L134-L167 HydrophobicContact CD1-CG 4.18Å; L134-R179 WeakPolarHBondContact O-CD 3.05Å; L134-R179 PolarHBondContact O-NE 2.93Å; L134-R179 VanDerWaalsContact O-NE 3.15Å; L134-R179 PolarHBondContact O-NH1 3.41Å
135E64.1Low70.6Confident108 Ų10886.8 Ų86.851%0.50545%0.45SS..  trans-76.3-28.8-174.2-165154.2-110.100114S133 Q153 R179S133-E135 VanDerWaalsContact C-N 3.28Å; S133-E135 PolarHBondContact O-N 2.92Å; E135-Q153 PolarHBondContact OE2-NE2 3.15Å; E135-R179 PolarHBondContact O-NH2 2.93Å
136E61.6Low69.7Low164 Ų16484.8 Ų84.877%0.76644%0.438SS*.EExtended strand (participates in β ladder)trans-120.3124.9-173.2-161.7162.7-153.200112C151E136-C151 PolarHBondContact O-N 2.99Å
137C71.8Confident69Low17 Ų1781.5 Ų81.512%0.11543%0.426CS..EExtended strand (participates in β ladder)trans-125.2127.1-178.3-59.90000111.1V149 C150 C175C137-V149 CarbonylContact C-O 3.53Å; C137-V149 WeakPolarHBondContact CA-O 3.43Å; C137-C150 HydrophobicContact CB-CB 4.07Å; C137-C150 WeakPolarHBondContact CB-SG 2.93Å; C137-C150 WeakPolarHBondContact SG-CB 3.5Å; C137-C150 CovalentContact SG-SG 2.04Å; C137-C150 PolarHBondContact SG-SG 3.3Å; C137-C175 HydrophobicContact CB-CB 3.9Å
138K69.4Low68.8Low161 Ų16180.4 Ų80.470%0.742%0.42SS*.EExtended strand (participates in β ladder)trans-109.6133.7177.7-167.1168.1-176.1173.80110.6V149K138-V149 PolarHBondContact N-O 2.84Å; K138-V149 PolarHBondContact O-N 2.86Å
139L70.3Confident68.5Low93 Ų9380.2 Ų80.249%0.48742%0.417SS..EExtended strand (participates in β ladder)trans-70.8125.2166-170.573.5000108.3P141 G146 P171L139-P141 WeakPolarHBondContact O-CD 3.24Å; L139-G146 WeakPolarHBondContact CD1-O 3.39Å; L139-P171 HydrophobicContact CD1-CB 4.49Å
140V69.7Low68.2Low45 Ų4573.4 Ų73.427%0.27339%0.385SS..EExtended strand (participates in β ladder)trans-109103174.1-174.50000108.4F142 G146 V147 V149V140-F142 HydrophobicContact CB-CD2 4.4Å; V140-F142 HydrophobicContact CB-CE2 4.08Å; V140-F142 HydrophobicContact CG1-CD2 3.88Å; V140-F142 HydrophobicContact CG1-CE2 3.38Å; V140-F142 HydrophobicContact CG1-CZ 3.93Å; V140-F142 PolarHBondContact O-N 2.96Å; V140-G146 CarbonylContact O-C 3.59Å; V140-G146 WeakPolarHBondContact O-CA 3.42Å; V140-V147 PolarHBondContact N-O 2.95Å; V140-V147 PolarHBondContact O-N 3.23Å; V140-V147 VanDerWaalsContact O-N 3.1Å; V140-V149 HydrophobicContact CB-CG2 4.2Å; V140-V149 HydrophobicContact CG2-CB 4.04Å; V140-V149 HydrophobicContact CG2-CG2 3.61Å
141P60.8Low68Low109 Ų10971.5 Ų71.571%0.70838%0.378SS*.  trans-71.395.4178.229.4-33.6000110.2L139L139-P141 WeakPolarHBondContact O-CD 3.24Å
142F55.3Low67.5Low133 Ų13375 Ų7558%0.58339%0.394SS*.  trans-86.2151149.8-63.1-81.7000107.8V140 N144 D145V140-F142 HydrophobicContact CB-CD2 4.4Å; V140-F142 HydrophobicContact CB-CE2 4.08Å; V140-F142 HydrophobicContact CG1-CD2 3.88Å; V140-F142 HydrophobicContact CG1-CE2 3.38Å; V140-F142 HydrophobicContact CG1-CZ 3.93Å; V140-F142 PolarHBondContact O-N 2.96Å; F142-N144 PolarHBondContact O-N 3.45Å; F142-N144 VanDerWaalsContact O-N 3.09Å; F142-D145 PolarHBondContact O-N 3.44Å
143D50.5Low66.5Low150 Ų15077.5 Ų77.580%0.80240%0.403SS*.SBendtrans-37.7108.5-167.5-71.1-96.7000115.6D145D143-D145 PolarHBondContact O-N 2.91Å
144N53.6Low65.1Low167 Ų16783.4 Ų83.489%0.89343%0.426SS*.SBendtrans60.9-35.6178.6-59.4-81.2000116.9F142 G146F142-N144 PolarHBondContact O-N 3.45Å; F142-N144 VanDerWaalsContact O-N 3.09Å; N144-G146 PolarHBondContact O-N 2.98Å
145D59.8Low63.6Low131 Ų13192.8 Ų92.870%0.70147%0.467SS*.SBendtrans-99.660.7178.5-71.8-47.1000111.9F142 D143 V147F142-D145 PolarHBondContact O-N 3.44Å; D143-D145 PolarHBondContact O-N 2.91Å; D145-V147 PolarHBondContact O-N 3.27Å
146G66.3Low62.5Low11 Ų1196.9 Ų96.911%0.11349%0.486CS..  trans-64103.6-17100000114.8L139 V140 N144 P171L139-G146 WeakPolarHBondContact CD1-O 3.39Å; V140-G146 CarbonylContact O-C 3.59Å; V140-G146 WeakPolarHBondContact O-CA 3.42Å; N144-G146 PolarHBondContact O-N 2.98Å; G146-P171 WeakPolarHBondContact O-CB 3.44Å; G146-P171 VanDerWaalsContact O-CG 3.27Å; G146-P171 WeakPolarHBondContact O-CG 3.39Å
147V73.1Confident61.5Low40 Ų4094.5 Ų94.524%0.24249%0.488CS..EExtended strand (participates in β ladder)trans-66.4134.1-174.4179.10000112.6V140 D145 V149 K168V140-V147 PolarHBondContact N-O 2.95Å; V140-V147 PolarHBondContact O-N 3.23Å; V140-V147 VanDerWaalsContact O-N 3.1Å; D145-V147 PolarHBondContact O-N 3.27Å; V147-V149 HydrophobicContact CG1-CG2 4.44Å; V147-K168 HydrophobicContact CG1-CB 4.13Å; V147-K168 HydrophobicContact CG1-CD 4.47Å; V147-K168 HydrophobicContact CG1-CG 4.24Å
148C77.4Confident60.3Low0 Ų099.5 Ų99.50%052%0.518CS..EExtended strand (participates in β ladder)trans-77.4128.6171-79.70000111.2L169 C175C148-L169 HydrophobicContact CB-CB 3.82Å; C148-L169 PolarHBondContact N-O 3.1Å; C148-L169 PolarHBondContact O-N 3.36Å; C148-C175 VanDerWaalsContact CA-SG 3.53Å; C148-C175 HydrophobicContact CB-CB 3.7Å; C148-C175 WeakPolarHBondContact CB-SG 3.48Å; C148-C175 WeakPolarHBondContact SG-CA 3.24Å; C148-C175 WeakPolarHBondContact SG-CB 3.41Å; C148-C175 CovalentContact SG-SG 2.04Å; C148-C175 PolarHBondContact SG-SG 3.09Å
149V76.9Confident59.5Low12 Ų1294.3 Ų94.37%0.07351%0.51CS..EExtended strand (participates in β ladder)trans-124.3118.9-175.6178.40000110.1C137 K138 V140 V147 M166C137-V149 CarbonylContact C-O 3.53Å; C137-V149 WeakPolarHBondContact CA-O 3.43Å; K138-V149 PolarHBondContact N-O 2.84Å; K138-V149 PolarHBondContact O-N 2.86Å; V140-V149 HydrophobicContact CB-CG2 4.2Å; V140-V149 HydrophobicContact CG2-CB 4.04Å; V140-V149 HydrophobicContact CG2-CG2 3.61Å; V147-V149 HydrophobicContact CG1-CG2 4.44Å; V149-M166 HydrophobicContact CB-CE 4.24Å; V149-M166 HydrophobicContact CG1-CE 3.51Å; V149-M166 HydrophobicContact CG1-CG 3.71Å; V149-M166 HydrophobicContact CG1-SD 4.5Å; V149-M166 HydrophobicContact CG2-CE 3.61Å
150C76.1Confident58.8Low1 Ų192.5 Ų92.51%0.00750%0.504CS..EExtended strand (participates in β ladder)trans-110.4143172.2-52.80000110.6L134 C137 L167L134-C150 HydrophobicContact CB-CB 4.18Å; L134-C150 HydrophobicContact CD1-CB 4.24Å; L134-C150 HydrophobicContact CD2-CB 4.35Å; C137-C150 HydrophobicContact CB-CB 4.07Å; C137-C150 WeakPolarHBondContact CB-SG 2.93Å; C137-C150 WeakPolarHBondContact SG-CB 3.5Å; C137-C150 CovalentContact SG-SG 2.04Å; C137-C150 PolarHBondContact SG-SG 3.3Å; C150-L167 HydrophobicContact CB-CB 4.41Å; C150-L167 PolarHBondContact N-O 3.08Å; C150-L167 VanDerWaalsContact N-O 3.15Å; C150-L167 PolarHBondContact O-N 2.93Å; C150-L167 VanDerWaalsContact O-N 3.08Å
151C70.9Confident58Low31 Ų3196.5 Ų96.521%0.20952%0.524CS..EExtended strand (participates in β ladder)trans-134155.8179.7-60.60000110.8E136 C160E136-C151 PolarHBondContact O-N 2.99Å; C151-C160 HydrophobicContact CB-CB 4.08Å; C151-C160 WeakPolarHBondContact CB-SG 3.37Å; C151-C160 WeakPolarHBondContact SG-CB 3.47Å; C151-C160 CovalentContact SG-SG 2.04Å; C151-C160 PolarHBondContact SG-SG 2.93Å
152E67.3Low57.6Low79 Ų7995.9 Ų95.937%0.36952%0.515SS..  trans-77.5152.9-178.4-171.1156.3120.400111.1S133 L134 Q154S133-E152 VanDerWaalsContact CB-OE2 3.26Å; S133-E152 WeakPolarHBondContact CB-OE2 3.26Å; S133-E152 PolarHBondContact OG-OE2 2.96Å; L134-E152 HydrophobicContact CD2-CB 4.36Å; E152-Q154 PolarHBondContact O-N 3Å
153Q56.2Low57.5Low135 Ų13598.4 Ų98.463%0.63153%0.528SS*.  trans-72.719.7-167-153.7171.340.200115.1E135 K155E135-Q153 PolarHBondContact OE2-NE2 3.15Å; Q153-K155 PolarHBondContact O-N 3.48Å
154Q44.4Very low57.5Low162 Ų16293.9 Ų93.976%0.75751%0.512SS*.  trans-83.277.9-172.3-170.8152.9-47.600113.8E152E152-Q154 PolarHBondContact O-N 3Å
155K39.6Very low57.7Low199 Ų19989.7 Ų89.787%0.86549%0.487SS*.  trans70.8146.9167.6-74.3-177.2172.5179.40117.9Q153Q153-K155 PolarHBondContact O-N 3.48Å
156Q40.8Very low57.8Low194 Ų19485.5 Ų85.591%0.90746%0.464SS*.SBendtrans-63.2153.1179.6-65.4166-2900113.3
157S42.5Very low57.8Low115 Ų11585.5 Ų85.580%0.80446%0.461SS*.SBendtrans70.654.9155.6-165.10000118.3
158T46Very low57.7Low122 Ų12288.3 Ų88.375%0.74847%0.47SS*.SBend-157.8158.8129.6-750000108.1
159G52Low57.4Low52 Ų5288.3 Ų88.354%0.53647%0.47SS..  trans-57.2154.6179.600000114N161G159-N161 VanDerWaalsContact O-CG 3.32Å; G159-N161 PolarHBondContact O-N 3.41Å; G159-N161 PolarHBondContact O-OD1 3.33Å
160C54.8Low57.1Low55 Ų5590.7 Ų90.737%0.37248%0.482SS..  trans-71.771.3-177.5-1700000111.4C151 N162C151-C160 HydrophobicContact CB-CB 4.08Å; C151-C160 WeakPolarHBondContact CB-SG 3.37Å; C151-C160 WeakPolarHBondContact SG-CB 3.47Å; C151-C160 CovalentContact SG-SG 2.04Å; C151-C160 PolarHBondContact SG-SG 2.93Å; C160-N162 VanDerWaalsContact C-N 3.33Å; C160-N162 PolarHBondContact O-N 2.91Å
161N53.9Low56.6Low128 Ų12892.8 Ų92.868%0.68450%0.496SS*.  trans-75.6-17.1-168.3-71.2-17.5000113.9G159 Q163G159-N161 VanDerWaalsContact O-CG 3.32Å; G159-N161 PolarHBondContact O-N 3.41Å; G159-N161 PolarHBondContact O-OD1 3.33Å; N161-Q163 PolarHBondContact O-N 3.47Å
162N53Low55.9Low97 Ų9796.8 Ų96.852%0.51952%0.515SS..  trans-82.894.9-177.8-67.1-16.2000111.3C160 A164 E165 M166C160-N162 VanDerWaalsContact C-N 3.33Å; C160-N162 PolarHBondContact O-N 2.91Å; N162-A164 PolarHBondContact O-N 3.03Å; N162-E165 HydrophobicContact CB-CB 3.98Å; N162-E165 PolarHBondContact ND2-OE2 2.9Å; N162-E165 PolarHBondContact O-N 2.97Å; N162-M166 PolarHBondContact O-N 2.95Å
163Q53.2Low55.7Low185 Ų185102.4 Ų102.486%0.86453%0.533SS*.THydrogen-bonded Turntrans-55.2-19.9174.9-66.6-172.60.100114.3N161 E165N161-Q163 PolarHBondContact O-N 3.47Å; Q163-E165 VanDerWaalsContact C-N 3.34Å
164A50.6Low56.6Low55 Ų55101.3 Ų101.346%0.45553%0.531SS..THydrogen-bonded Turntrans-73.7-22.7177.200000114R71 N162R71-A164 WeakPolarHBondContact CD-O 3.48Å; R71-A164 PolarHBondContact NH1-O 3.29Å; N162-A164 PolarHBondContact O-N 3.03Å
165E57.3Low58.1Low80 Ų8094.1 Ų94.137%0.37450%0.498SS..THydrogen-bonded Turntrans-111.2-25.1-166.7-160.1175165.600111.7N162 Q163 L167N162-E165 HydrophobicContact CB-CB 3.98Å; N162-E165 PolarHBondContact ND2-OE2 2.9Å; N162-E165 PolarHBondContact O-N 2.97Å; Q163-E165 VanDerWaalsContact C-N 3.34Å; E165-L167 PolarHBondContact O-N 3.13Å
166M61.6Low60Low43 Ų4389 Ų8921%0.21248%0.481CS..  trans-66.4103.9179.2-172.4-165.1-163.700112.6V149 N162 K168V149-M166 HydrophobicContact CB-CE 4.24Å; V149-M166 HydrophobicContact CG1-CE 3.51Å; V149-M166 HydrophobicContact CG1-CG 3.71Å; V149-M166 HydrophobicContact CG1-SD 4.5Å; V149-M166 HydrophobicContact CG2-CE 3.61Å; N162-M166 PolarHBondContact O-N 2.95Å; M166-K168 HydrophobicContact CG-CG 4.49Å; M166-K168 PolarHBondContact O-N 3.33Å; M166-K168 WeakPolarHBondContact SD-CE 3.41Å; M166-K168 HydrophobicContact SD-CG 4.38Å
167L67.1Low62Low11 Ų1183 Ų836%0.05846%0.457CS..EExtended strand (participates in β ladder)trans-81.8106.5176.6-148.280000110.4V72 V131 L134 C150 E165 L169 L182V72-L167 HydrophobicContact CG2-CD1 4.03Å; V131-L167 HydrophobicContact CG2-CD2 4.16Å; L134-L167 HydrophobicContact CD1-CB 3.7Å; L134-L167 HydrophobicContact CD1-CD2 3.7Å; L134-L167 HydrophobicContact CD1-CG 4.18Å; C150-L167 HydrophobicContact CB-CB 4.41Å; C150-L167 PolarHBondContact N-O 3.08Å; C150-L167 VanDerWaalsContact N-O 3.15Å; C150-L167 PolarHBondContact O-N 2.93Å; C150-L167 VanDerWaalsContact O-N 3.08Å; E165-L167 PolarHBondContact O-N 3.13Å; L167-L169 HydrophobicContact CD2-CD2 4.2Å; L167-L182 HydrophobicContact CD2-CD2 4.25Å
168K69.3Low63.9Low98 Ų9877.9 Ų77.943%0.42642%0.421SS..EExtended strand (participates in β ladder)trans-84.5121.9174.4-66.5-173.8178.3-1760111.2T68 S69 V147 M166T68-K168 PolarHBondContact N-O 2.96Å; T68-K168 VanDerWaalsContact N-O 3.12Å; T68-K168 WeakPolarHBondContact OG1-CB 3.29Å; T68-K168 PolarHBondContact OG1-O 2.74Å; S69-K168 PolarHBondContact N-O 3.01Å; V147-K168 HydrophobicContact CG1-CB 4.13Å; V147-K168 HydrophobicContact CG1-CD 4.47Å; V147-K168 HydrophobicContact CG1-CG 4.24Å; M166-K168 HydrophobicContact CG-CG 4.49Å; M166-K168 PolarHBondContact O-N 3.33Å; M166-K168 WeakPolarHBondContact SD-CE 3.41Å; M166-K168 HydrophobicContact SD-CG 4.38Å
169L71.9Confident65.5Low1 Ų174 Ų741%0.00539%0.392CS..EExtended strand (participates in β ladder)trans-115.2146.6-179.7-62172.5000110.4L66 C148 L167 I178 L182L66-L169 WeakPolarHBondContact O-CA 3.47Å; C148-L169 HydrophobicContact CB-CB 3.82Å; C148-L169 PolarHBondContact N-O 3.1Å; C148-L169 PolarHBondContact O-N 3.36Å; L167-L169 HydrophobicContact CD2-CD2 4.2Å; L169-I178 HydrophobicContact CB-CG2 4.31Å; L169-I178 HydrophobicContact CD1-CG2 4.23Å; L169-L182 HydrophobicContact CD2-CD2 3.61Å
170N71.4Confident66.9Low61 Ų6176.2 Ų76.233%0.32639%0.392SS..  trans-77.6124.3-178.8-163.743.4000110.9L66 T68 L172 I178L66-N170 PolarHBondContact O-N 2.8Å; T68-N170 HydrophobicContact CG2-CB 4.15Å; N170-L172 PolarHBondContact O-N 3.04Å; N170-I178 WeakPolarHBondContact O-CD1 3.49Å
171P64.8Low68.4Low45 Ų4580.6 Ų80.629%0.29240%0.4SS..  trans-78.382.6-172.733-37.8000112.9L139 G146L139-P171 HydrophobicContact CD1-CB 4.49Å; G146-P171 WeakPolarHBondContact O-CB 3.44Å; G146-P171 VanDerWaalsContact O-CG 3.27Å; G146-P171 WeakPolarHBondContact O-CG 3.39Å
172L57Low69.9Low116 Ų11674.7 Ų74.761%0.60737%0.369SS*.SBendtrans-94.7-23.1174.1-77.5159.9000113.8L66 N170 I178L66-L172 HydrophobicContact CD2-CD1 4Å; N170-L172 PolarHBondContact O-N 3.04Å; L172-I178 HydrophobicContact CB-CD1 4.19Å
173R62.8Low71.4Confident197 Ų19773.9 Ų73.974%0.74336%0.36SS*.SBendtrans-164.1-173.9175-73.1-155.1176.9-173.2-2.7108.1I178R173-I178 VanDerWaalsContact O-CD1 3.27Å; R173-I178 WeakPolarHBondContact O-CD1 3.44Å
174D73.7Confident73.2Confident112 Ų11269.6 Ų69.660%0.59934%0.341SS*.  trans-48.8134.5-178.9-41.6-85.3000113.4N176 T177 I178D174-N176 VanDerWaalsContact C-N 3.26Å; D174-N176 PolarHBondContact O-N 3.45Å; D174-N176 VanDerWaalsContact O-N 3.16Å; D174-T177 WeakPolarHBondContact O-CB 3.3Å; D174-T177 PolarHBondContact O-N 2.91Å; D174-I178 PolarHBondContact O-N 3.37Å
175C76.5Confident75.1Confident10 Ų1069 Ų697%0.06833%0.329CS..Hα-helixtrans-57.9-36.2-173.4-53.60000113.4C137 C148 I178 R179C137-C175 HydrophobicContact CB-CB 3.9Å; C148-C175 VanDerWaalsContact CA-SG 3.53Å; C148-C175 HydrophobicContact CB-CB 3.7Å; C148-C175 WeakPolarHBondContact CB-SG 3.48Å; C148-C175 WeakPolarHBondContact SG-CA 3.24Å; C148-C175 WeakPolarHBondContact SG-CB 3.41Å; C148-C175 CovalentContact SG-SG 2.04Å; C148-C175 PolarHBondContact SG-SG 3.09Å; C175-I178 PolarHBondContact O-N 2.87Å; C175-R179 WeakPolarHBondContact O-CB 3.4Å; C175-R179 PolarHBondContact O-N 3.36Å
176N79.4Confident76.5Confident93 Ų9365.6 Ų65.650%0.49731%0.314SS..Hα-helixtrans-68.1-40.5177-71.3-24.2000111.9D174 R179 L180D174-N176 VanDerWaalsContact C-N 3.26Å; D174-N176 PolarHBondContact O-N 3.45Å; D174-N176 VanDerWaalsContact O-N 3.16Å; N176-R179 PolarHBondContact O-N 2.83Å; N176-L180 PolarHBondContact O-N 3.49Å
177T83.3Confident77.8Confident67 Ų6770.4 Ų70.441%0.41133%0.334SS..Hα-helixtrans-63.9-41.6174.7-53.80000111D174 L180 R181D174-T177 WeakPolarHBondContact O-CB 3.3Å; D174-T177 PolarHBondContact O-N 2.91Å; T177-L180 PolarHBondContact O-N 3.3Å; T177-R181 WeakPolarHBondContact O-CG 3.29Å; T177-R181 PolarHBondContact O-N 3.32Å
178I81.3Confident79Confident8 Ų872.1 Ų72.14%0.04135%0.347CS..Hα-helixtrans-66.8-42.3175.4-63.5-173.4000111.5L66 L169 N170 L172 R173 D174 C175 L180 R181 L182L66-I178 HydrophobicContact CB-CG2 4.47Å; L66-I178 HydrophobicContact CD2-CG2 4.36Å; L169-I178 HydrophobicContact CB-CG2 4.31Å; L169-I178 HydrophobicContact CD1-CG2 4.23Å; N170-I178 WeakPolarHBondContact O-CD1 3.49Å; L172-I178 HydrophobicContact CB-CD1 4.19Å; R173-I178 VanDerWaalsContact O-CD1 3.27Å; R173-I178 WeakPolarHBondContact O-CD1 3.44Å; D174-I178 PolarHBondContact O-N 3.37Å; C175-I178 PolarHBondContact O-N 2.87Å; I178-L180 VanDerWaalsContact C-N 3.29Å; I178-L180 PolarHBondContact O-N 2.91Å; I178-R181 PolarHBondContact O-N 3.23Å; I178-L182 WeakPolarHBondContact O-CB 3.1Å; I178-L182 PolarHBondContact O-N 3.46Å
179R79.8Confident80.1Confident39 Ų3967.5 Ų67.515%0.14733%0.327CS..Hα-helixtrans-56.5-45.8173.8-179.7174.268.8109.2-8.2111V131 L134 E135 C175 N176 L182 K183V131-R179 HydrophobicContact CG1-CG 3.96Å; L134-R179 WeakPolarHBondContact O-CD 3.05Å; L134-R179 PolarHBondContact O-NE 2.93Å; L134-R179 VanDerWaalsContact O-NE 3.15Å; L134-R179 PolarHBondContact O-NH1 3.41Å; E135-R179 PolarHBondContact O-NH2 2.93Å; C175-R179 WeakPolarHBondContact O-CB 3.4Å; C175-R179 PolarHBondContact O-N 3.36Å; N176-R179 PolarHBondContact O-N 2.83Å; R179-L182 PolarHBondContact O-N 3.05Å; R179-K183 PolarHBondContact O-N 3.19Å
180L83Confident81.1Confident100 Ų10067.9 Ų67.952%0.52433%0.329SS..Hα-helixtrans-63.5-45.2-179.9-146.774.2000111.5N176 T177 I178 L182 K183 E184N176-L180 PolarHBondContact O-N 3.49Å; T177-L180 PolarHBondContact O-N 3.3Å; I178-L180 VanDerWaalsContact C-N 3.29Å; I178-L180 PolarHBondContact O-N 2.91Å; L180-L182 PolarHBondContact O-N 3.4Å; L180-K183 WeakPolarHBondContact O-CB 3.34Å; L180-K183 PolarHBondContact O-N 2.86Å; L180-E184 WeakPolarHBondContact O-CG 3.45Å; L180-E184 PolarHBondContact O-N 2.04Å
181R85.7Confident82.2Confident146 Ų14667 Ų6755%0.55133%0.33SS*.Hα-helixtrans-63.1-38.9174.2-69.9-51.2-164.4-175.6-0.6112.9T177 I178 K183 E184 L185T177-R181 WeakPolarHBondContact O-CG 3.29Å; T177-R181 PolarHBondContact O-N 3.32Å; I178-R181 PolarHBondContact O-N 3.23Å; R181-K183 VanDerWaalsContact C-N 3.34Å; R181-E184 WeakPolarHBondContact CD-OE2 3.4Å; R181-E184 IonicContact CZ-OE2 2.59Å; R181-E184 IonicContact NE-OE2 2.7Å; R181-E184 IonicContact NH1-OE1 3.59Å; R181-E184 IonicContact NH1-OE2 2.79Å; R181-E184 PolarHBondContact NH1-OE2 3.47Å; R181-E184 PolarHBondContact O-N 3.46Å; R181-L185 WeakPolarHBondContact O-CB 3.13Å; R181-L185 WeakPolarHBondContact O-CD1 3.4Å; R181-L185 VanDerWaalsContact O-CG 3.22Å; R181-L185 WeakPolarHBondContact O-CG 3.34Å; R181-L185 PolarHBondContact O-N 2.82Å
182L84.8Confident83.6Confident4 Ų465.8 Ų65.82%0.02132%0.321CS..Hα-helixtrans-65.5-38175.6-177.261.3000111.6A63 V131 L167 L169 I178 R179 L180 L185 L186A63-L182 HydrophobicContact CB-CD1 4.15Å; V131-L182 HydrophobicContact CG2-CD2 4.19Å; V131-L182 HydrophobicContact CG2-CG 4.5Å; L167-L182 HydrophobicContact CD2-CD2 4.25Å; L169-L182 HydrophobicContact CD2-CD2 3.61Å; I178-L182 WeakPolarHBondContact O-CB 3.1Å; I178-L182 PolarHBondContact O-N 3.46Å; R179-L182 PolarHBondContact O-N 3.05Å; L180-L182 PolarHBondContact O-N 3.4Å; L182-L185 PolarHBondContact O-N 2.7Å; L182-L186 HydrophobicContact CD1-CD1 4.19Å; L182-L186 HydrophobicContact CD1-CG 4.15Å; L182-L186 HydrophobicContact CG-CD1 3.95Å; L182-L186 HydrophobicContact CG-CG 4.37Å; L182-L186 WeakPolarHBondContact O-CB 3.21Å; L182-L186 VanDerWaalsContact O-CG 3.29Å; L182-L186 WeakPolarHBondContact O-CG 3.45Å; L182-L186 PolarHBondContact O-N 3.36Å
183K85.3Confident85.4Confident80 Ų8060.2 Ų60.235%0.34829%0.292SS..Hα-helixtrans-62-46.7173.5-177.9174.8168.1177.30111.8V131 N132 R179 L180 R181 L186 F187V131-K183 HydrophobicContact CG1-CB 3.92Å; N132-K183 WeakPolarHBondContact OD1-CE 3.43Å; N132-K183 PolarHBondContact OD1-NZ 3.34Å; R179-K183 PolarHBondContact O-N 3.19Å; L180-K183 WeakPolarHBondContact O-CB 3.34Å; L180-K183 PolarHBondContact O-N 2.86Å; R181-K183 VanDerWaalsContact C-N 3.34Å; K183-L186 PolarHBondContact O-N 3.48Å; K183-F187 WeakPolarHBondContact O-CB 3.2Å; K183-F187 PolarHBondContact O-N 3.29Å
184E89.9Confident87Confident96 Ų9654.2 Ų54.245%0.44928%0.277SS..Hα-helixtrans-59.1-45.9174.5-70.7175.7158.800111.9L180 R181 F187 S188L180-E184 WeakPolarHBondContact O-CG 3.45Å; L180-E184 PolarHBondContact O-N 2.04Å; R181-E184 WeakPolarHBondContact CD-OE2 3.4Å; R181-E184 IonicContact CZ-OE2 2.59Å; R181-E184 IonicContact NE-OE2 2.7Å; R181-E184 IonicContact NH1-OE1 3.59Å; R181-E184 IonicContact NH1-OE2 2.79Å; R181-E184 PolarHBondContact NH1-OE2 3.47Å; R181-E184 PolarHBondContact O-N 3.46Å; E184-F187 PolarHBondContact O-N 3Å; E184-S188 VanDerWaalsContact O-CB 3.3Å; E184-S188 WeakPolarHBondContact O-CB 3.48Å; E184-S188 PolarHBondContact O-N 3.34Å
185L90.4Very high88Confident42 Ų4253.2 Ų53.222%0.2227%0.271CS..Hα-helixtrans-65-44179-70.9165.7000111.9V59 L66 R181 L182 S188 V189V59-L185 HydrophobicContact CG1-CD2 3.72Å; L66-L185 HydrophobicContact CD1-CD1 3.5Å; L66-L185 VanDerWaalsContact CD1-CD1 3.5Å; R181-L185 WeakPolarHBondContact O-CB 3.13Å; R181-L185 WeakPolarHBondContact O-CD1 3.4Å; R181-L185 VanDerWaalsContact O-CG 3.22Å; R181-L185 WeakPolarHBondContact O-CG 3.34Å; R181-L185 PolarHBondContact O-N 2.82Å; L182-L185 PolarHBondContact O-N 2.7Å; L185-S188 WeakPolarHBondContact O-CB 3.39Å; L185-S188 PolarHBondContact O-N 3.23Å; L185-V189 WeakPolarHBondContact O-CG2 3.39Å; L185-V189 PolarHBondContact O-N 3.38Å
186L87.4Confident89Confident8 Ų852.8 Ų52.84%0.04227%0.268CS..Hα-helixtrans-65.6-38.5177.7-72.9169.6000112.4N127 A128 V131 L182 K183 V189 C190N127-L186 HydrophobicContact CB-CD1 4.12Å; N127-L186 HydrophobicContact CB-CD2 4.1Å; A128-L186 HydrophobicContact CB-CB 4.16Å; V131-L186 HydrophobicContact CB-CD1 4.28Å; V131-L186 HydrophobicContact CG2-CD1 3.66Å; L182-L186 HydrophobicContact CD1-CD1 4.19Å; L182-L186 HydrophobicContact CD1-CG 4.15Å; L182-L186 HydrophobicContact CG-CD1 3.95Å; L182-L186 HydrophobicContact CG-CG 4.37Å; L182-L186 WeakPolarHBondContact O-CB 3.21Å; L182-L186 VanDerWaalsContact O-CG 3.29Å; L182-L186 WeakPolarHBondContact O-CG 3.45Å; L182-L186 PolarHBondContact O-N 3.36Å; K183-L186 PolarHBondContact O-N 3.48Å; L186-V189 PolarHBondContact O-N 3.49Å; L186-C190 PolarHBondContact O-N 2.68Å
187F89.8Confident89.7Confident144 Ų14449.7 Ų49.763%0.63225%0.252SS*.Hα-helixtrans-65-43.4172.5-174.3-98.6000111.4K183 E184 V189 C190 A191K183-F187 WeakPolarHBondContact O-CB 3.2Å; K183-F187 PolarHBondContact O-N 3.29Å; E184-F187 PolarHBondContact O-N 3Å; F187-V189 PolarHBondContact O-N 3.42Å; F187-C190 PolarHBondContact O-N 3.49Å; F187-A191 WeakPolarHBondContact O-CB 3.41Å; F187-A191 PolarHBondContact O-N 3.34Å
188S92.6Very high90.3Very high47 Ų4751.1 Ų51.133%0.32926%0.257SS..Hα-helixtrans-58.7-46.2174.1-175.30000111.8E184 L185 C190 A191 L192E184-S188 VanDerWaalsContact O-CB 3.3Å; E184-S188 WeakPolarHBondContact O-CB 3.48Å; E184-S188 PolarHBondContact O-N 3.34Å; L185-S188 WeakPolarHBondContact O-CB 3.39Å; L185-S188 PolarHBondContact O-N 3.23Å; S188-C190 PolarHBondContact O-N 2.9Å; S188-A191 PolarHBondContact O-N 2.91Å; S188-L192 WeakPolarHBondContact O-CB 3.26Å; S188-L192 WeakPolarHBondContact O-CG 3.46Å; S188-L192 PolarHBondContact O-N 2.81Å
189V92.3Very high91Very high2 Ų251.9 Ų51.91%0.01226%0.262CS..Hα-helixtrans-63.3-41.9176.2175.90000111.6V59 P77 S124 L185 L186 F187 A191 L192 N193V59-V189 HydrophobicContact CB-CG2 4.02Å; V59-V189 HydrophobicContact CG1-CG2 3.45Å; V59-V189 VanDerWaalsContact CG1-CG2 3.45Å; P77-V189 HydrophobicContact CG-CG1 3.34Å; S124-V189 WeakPolarHBondContact OG-CG1 3.32Å; L185-V189 WeakPolarHBondContact O-CG2 3.39Å; L185-V189 PolarHBondContact O-N 3.38Å; L186-V189 PolarHBondContact O-N 3.49Å; F187-V189 PolarHBondContact O-N 3.42Å; V189-A191 PolarHBondContact O-N 2.79Å; V189-L192 PolarHBondContact O-N 3.18Å; V189-N193 WeakPolarHBondContact O-CB 3.33Å; V189-N193 PolarHBondContact O-N 2.86Å; V189-N193 PolarHBondContact O-ND2 3Å
190C92.6Very high91.7Very high8 Ų850 Ų505%0.05425%0.254CS..Hα-helixtrans-61.5-44.5175.7-163.70000111.1S121 C125 L186 F187 S188 N193 V194S121-C190 PolarHBondContact O-SG 2.97Å; C125-C190 HydrophobicContact CB-CB 4.27Å; C125-C190 WeakPolarHBondContact CB-SG 3.23Å; C125-C190 WeakPolarHBondContact SG-CB 3.46Å; C125-C190 CovalentContact SG-SG 2.05Å; C125-C190 PolarHBondContact SG-SG 3.04Å; L186-C190 PolarHBondContact O-N 2.68Å; F187-C190 PolarHBondContact O-N 3.49Å; S188-C190 PolarHBondContact O-N 2.9Å; C190-N193 PolarHBondContact O-N 3.27Å; C190-V194 WeakPolarHBondContact O-CG2 3.36Å; C190-V194 PolarHBondContact O-N 2.96Å; C190-V194 VanDerWaalsContact O-N 3.09Å
191A94.4Very high92.2Very high42 Ų4247.4 Ų47.435%0.34725%0.247SC..Hα-helixtrans-64.7-43.4176.400000113.2F187 S188 V189 N193 V194 I195F187-A191 WeakPolarHBondContact O-CB 3.41Å; F187-A191 PolarHBondContact O-N 3.34Å; S188-A191 PolarHBondContact O-N 2.91Å; V189-A191 PolarHBondContact O-N 2.79Å; A191-N193 PolarHBondContact O-N 3.44Å; A191-V194 PolarHBondContact O-N 3.39Å; A191-I195 WeakPolarHBondContact O-CG1 3.48Å; A191-I195 PolarHBondContact O-N 3.29Å
192L94.3Very high92.6Very high20 Ų2044.9 Ų44.911%0.10524%0.244CC..Hα-helixtrans-63.1-40.6177.4-72168.6000111.7L52 L55 I56 V59 S188 V189 I195 S196L52-L192 HydrophobicContact CD1-CB 4.38Å; L52-L192 HydrophobicContact CD1-CD2 3.67Å; L55-L192 HydrophobicContact CD2-CD1 4.29Å; L55-L192 HydrophobicContact CD2-CD2 3.63Å; L55-L192 HydrophobicContact CG-CD1 4.02Å; L55-L192 HydrophobicContact CG-CD2 4.2Å; I56-L192 HydrophobicContact CD1-CB 4.42Å; I56-L192 HydrophobicContact CG1-CB 3.79Å; V59-L192 HydrophobicContact CB-CD1 4.45Å; V59-L192 HydrophobicContact CG2-CD1 4.1Å; S188-L192 WeakPolarHBondContact O-CB 3.26Å; S188-L192 WeakPolarHBondContact O-CG 3.46Å; S188-L192 PolarHBondContact O-N 2.81Å; V189-L192 PolarHBondContact O-N 3.18Å; L192-I195 PolarHBondContact O-N 3.5Å; L192-S196 WeakPolarHBondContact O-CB 3.27Å; L192-S196 PolarHBondContact O-N 3.21Å
193N94.3Very high93Very high0 Ų044.7 Ų44.70%024%0.244CC..Hα-helixtrans-65.4-37174.9-68.6-23.4000112P77 G120 S121 V189 C190 A191 S196 T197P77-N193 WeakPolarHBondContact CG-ND2 3.29Å; G120-N193 VanDerWaalsContact C-ND2 3.29Å; G120-N193 PolarHBondContact O-ND2 2.92Å; S121-N193 WeakPolarHBondContact OG-CB 3.41Å; V189-N193 WeakPolarHBondContact O-CB 3.33Å; V189-N193 PolarHBondContact O-N 2.86Å; V189-N193 PolarHBondContact O-ND2 3Å; C190-N193 PolarHBondContact O-N 3.27Å; A191-N193 PolarHBondContact O-N 3.44Å; N193-S196 PolarHBondContact O-N 2.93Å; N193-T197 WeakPolarHBondContact O-CB 3.38Å; N193-T197 PolarHBondContact O-N 3.19Å; N193-T197 PolarHBondContact O-OG1 3.33Å
194V95.8Very high93.3Very high71 Ų7142.2 Ų42.243%0.4324%0.235SC..Hα-helixtrans-65.3-47.2173.7170.70000111.2C190 A191 S196 T197 I198C190-V194 WeakPolarHBondContact O-CG2 3.36Å; C190-V194 PolarHBondContact O-N 2.96Å; C190-V194 VanDerWaalsContact O-N 3.09Å; A191-V194 PolarHBondContact O-N 3.39Å; V194-S196 VanDerWaalsContact C-N 3.26Å; V194-S196 PolarHBondContact O-N 3.46Å; V194-T197 WeakPolarHBondContact O-CB 3.39Å; V194-T197 PolarHBondContact O-N 3.47Å; V194-I198 HydrophobicContact CG1-CD1 4.31Å; V194-I198 WeakPolarHBondContact O-CG1 3.3Å; V194-I198 PolarHBondContact O-N 3.04Å
195I96.3Very high93.4Very high90 Ų9040.1 Ų40.146%0.46223%0.234SC..Hα-helixtrans-59.7-41.2175.7-63.8163.6000110.3L52 A191 L192 I198 V199L52-I195 HydrophobicContact CD2-CB 4.4Å; L52-I195 HydrophobicContact CD2-CG2 3.85Å; A191-I195 WeakPolarHBondContact O-CG1 3.48Å; A191-I195 PolarHBondContact O-N 3.29Å; L192-I195 PolarHBondContact O-N 3.5Å; I195-I198 WeakPolarHBondContact O-CB 3.46Å; I195-I198 PolarHBondContact O-N 3.42Å; I195-V199 WeakPolarHBondContact O-CG2 3.33Å; I195-V199 PolarHBondContact O-N 3Å
196S95.7Very high93.3Very high1 Ų140.2 Ų40.21%0.00723%0.234CC..Hα-helixtrans-65.7-38.3177.4178.80000112.6L52 V84 N117 L192 N193 V194 I198 V199 C200L52-S196 VanDerWaalsContact CD2-CA 3.47Å; V84-S196 WeakPolarHBondContact CG2-OG 3.38Å; N117-S196 WeakPolarHBondContact OD1-CB 3.46Å; N117-S196 PolarHBondContact OD1-OG 3.04Å; L192-S196 WeakPolarHBondContact O-CB 3.27Å; L192-S196 PolarHBondContact O-N 3.21Å; N193-S196 PolarHBondContact O-N 2.93Å; V194-S196 VanDerWaalsContact C-N 3.26Å; V194-S196 PolarHBondContact O-N 3.46Å; S196-I198 VanDerWaalsContact C-N 3.33Å; S196-I198 PolarHBondContact O-N 3.42Å; S196-V199 PolarHBondContact O-N 3.18Å; S196-C200 WeakPolarHBondContact O-CB 3.16Å; S196-C200 PolarHBondContact O-N 3.13Å
197T95Very high93.3Very high28 Ų2840 Ų4017%0.17223%0.233CC..Hα-helixtrans-60.3-43.9172.1-53.40000110.7V114 N117 N193 V194 A201V114-T197 HydrophobicContact CG1-CG2 4.06Å; V114-T197 HydrophobicContact CG2-CG2 4.48Å; N117-T197 WeakPolarHBondContact CB-OG1 3.44Å; N193-T197 WeakPolarHBondContact O-CB 3.38Å; N193-T197 PolarHBondContact O-N 3.19Å; N193-T197 PolarHBondContact O-OG1 3.33Å; V194-T197 WeakPolarHBondContact O-CB 3.39Å; V194-T197 PolarHBondContact O-N 3.47Å; T197-A201 WeakPolarHBondContact O-CB 3.31Å; T197-A201 PolarHBondContact O-N 3.25Å
198I96.3Very high93.1Very high98 Ų9835.3 Ų35.350%0.50322%0.218SC..Hα-helixtrans-64-46.2176.5-63.9163.9000110.9V194 I195 S196 A201 L202V194-I198 HydrophobicContact CG1-CD1 4.31Å; V194-I198 WeakPolarHBondContact O-CG1 3.3Å; V194-I198 PolarHBondContact O-N 3.04Å; I195-I198 WeakPolarHBondContact O-CB 3.46Å; I195-I198 PolarHBondContact O-N 3.42Å; S196-I198 VanDerWaalsContact C-N 3.33Å; S196-I198 PolarHBondContact O-N 3.42Å; I198-A201 PolarHBondContact O-N 2.93Å; I198-L202 HydrophobicContact CG2-CD1 4.08Å; I198-L202 WeakPolarHBondContact O-CB 3.32Å; I198-L202 WeakPolarHBondContact O-CG 3.3Å; I198-L202 PolarHBondContact O-N 3.47Å
199V95.6Very high92.8Very high23 Ų2338.8 Ų38.814%0.13923%0.23CC..Hα-helixtrans-65.6-43.5179.6173.70000111.8L45 S48 Q49 L52 I195 S196 L202 A203L45-V199 HydrophobicContact CD2-CG1 4.25Å; S48-V199 WeakPolarHBondContact OG-CG1 3.42Å; Q49-V199 HydrophobicContact CG-CG1 3.67Å; L52-V199 HydrophobicContact CD2-CG2 4.36Å; I195-V199 WeakPolarHBondContact O-CG2 3.33Å; I195-V199 PolarHBondContact O-N 3Å; S196-V199 PolarHBondContact O-N 3.18Å; V199-L202 PolarHBondContact O-N 3.44Å; V199-A203 WeakPolarHBondContact O-CB 3.43Å; V199-A203 PolarHBondContact O-N 3.45Å
200C94.1Very high92.3Very high0 Ų039.7 Ų39.70%023%0.234CC..Hα-helixtrans-66.2-36.5174-83.40000112.3Q49 C113 V114 S196 A203 T204Q49-C200 PolarHBondContact NE2-SG 3.48Å; C113-C200 HydrophobicContact CB-CB 3.82Å; C113-C200 WeakPolarHBondContact CB-SG 3.06Å; C113-C200 WeakPolarHBondContact SG-CB 3.22Å; C113-C200 CovalentContact SG-SG 2.04Å; C113-C200 PolarHBondContact SG-SG 2.8Å; V114-C200 HydrophobicContact CG2-CB 3.86Å; S196-C200 WeakPolarHBondContact O-CB 3.16Å; S196-C200 PolarHBondContact O-N 3.13Å; C200-A203 PolarHBondContact O-N 2.95Å; C200-T204 PolarHBondContact O-N 3.31Å; C200-T204 PolarHBondContact O-OG1 3.48Å
201A94.9Very high91.8Very high45 Ų4542.1 Ų42.137%0.37225%0.246SC..Hα-helixtrans-65.3-41.5174.300000112.2V114 T197 I198 A203 T204 A205V114-A201 HydrophobicContact CG2-CB 4.07Å; T197-A201 WeakPolarHBondContact O-CB 3.31Å; T197-A201 PolarHBondContact O-N 3.25Å; I198-A201 PolarHBondContact O-N 2.93Å; A201-A203 VanDerWaalsContact C-N 3.34Å; A201-T204 PolarHBondContact O-N 3.18Å; A201-A205 WeakPolarHBondContact O-CB 3.33Å; A201-A205 PolarHBondContact O-N 2.86Å
202L93.7Very high91.2Very high93 Ų9344.1 Ų44.149%0.48725%0.253SS..Hα-helixtrans-63.7-38.7172.9-71.7171.6000111.9L45 I198 V199 M206L45-L202 HydrophobicContact CD2-CB 4.27Å; I198-L202 HydrophobicContact CG2-CD1 4.08Å; I198-L202 WeakPolarHBondContact O-CB 3.32Å; I198-L202 WeakPolarHBondContact O-CG 3.3Å; I198-L202 PolarHBondContact O-N 3.47Å; V199-L202 PolarHBondContact O-N 3.44Å; L202-M206 WeakPolarHBondContact O-CB 3.49Å; L202-M206 VanDerWaalsContact O-CG 3.3Å; L202-M206 WeakPolarHBondContact O-CG 3.47Å; L202-M206 PolarHBondContact O-N 3.16Å
203A92.7Very high90.6Very high1 Ų145.1 Ų45.11%0.00826%0.262CS..Hα-helixtrans-63.1-49172.700000111.7F106 V199 C200 A201 A205 M206 C207F106-A203 HydrophobicContact CE1-CB 4.46Å; F106-A203 HydrophobicContact CZ-CB 3.99Å; V199-A203 WeakPolarHBondContact O-CB 3.43Å; V199-A203 PolarHBondContact O-N 3.45Å; C200-A203 PolarHBondContact O-N 2.95Å; A201-A203 VanDerWaalsContact C-N 3.34Å; A203-A205 PolarHBondContact O-N 3.48Å; A203-M206 PolarHBondContact O-N 3.41Å; A203-C207 PolarHBondContact O-N 3.15Å; A203-C207 PolarHBondContact O-SG 3.2Å
204T91.7Very high89.5Confident27 Ų2747.9 Ų47.917%0.16628%0.279CS..Hα-helixtrans-55.9-49.4175.2-55.10000110.9M107 S110 C200 A201 M206 C207 C208M107-T204 HydrophobicContact CG-CG2 4.3Å; S110-T204 VanDerWaalsContact CB-OG1 3.29Å; S110-T204 WeakPolarHBondContact CB-OG1 3.13Å; S110-T204 WeakPolarHBondContact OG-CA 3.37Å; S110-T204 PolarHBondContact OG-OG1 3.06Å; C200-T204 PolarHBondContact O-N 3.31Å; C200-T204 PolarHBondContact O-OG1 3.48Å; A201-T204 PolarHBondContact O-N 3.18Å; T204-M206 PolarHBondContact O-N 3.03Å; T204-C207 PolarHBondContact O-N 2.56Å; T204-C207 VanDerWaalsContact O-N 3.09Å; T204-C208 PolarHBondContact O-N 3.45Å; T204-C208 PolarHBondContact O-SG 3.49Å
205A92.1Very high88.4Confident52 Ų5248 Ų4843%0.4328%0.277SS..Hα-helixtrans-60-44.3178.700000112.2A201 A203 C207 C208 M209A201-A205 WeakPolarHBondContact O-CB 3.33Å; A201-A205 PolarHBondContact O-N 2.86Å; A203-A205 PolarHBondContact O-N 3.48Å; A205-C207 VanDerWaalsContact C-N 3.28Å; A205-C207 PolarHBondContact O-N 3.17Å; A205-C208 PolarHBondContact O-N 3.05Å; A205-M209 WeakPolarHBondContact O-CB 3.42Å; A205-M209 VanDerWaalsContact O-CG 3.23Å; A205-M209 WeakPolarHBondContact O-CG 3.37Å; A205-M209 PolarHBondContact O-N 2.91Å
206M88.4Confident87.1Confident45 Ų4547.1 Ų47.122%0.22228%0.276CS..Hα-helixtrans-64.5-29.8175-76.4-64-6200113.2R38 I41 L45 L202 A203 T204 Q210R38-M206 HydrophobicContact CB-CE 4.3Å; R38-M206 HydrophobicContact CG-CE 4.45Å; I41-M206 HydrophobicContact CB-CE 4.32Å; I41-M206 HydrophobicContact CG2-CE 3.95Å; I41-M206 HydrophobicContact CG2-CG 4.44Å; I41-M206 HydrophobicContact CG2-SD 4.44Å; L45-M206 HydrophobicContact CD1-CB 4.39Å; L45-M206 HydrophobicContact CD1-CG 4Å; L202-M206 WeakPolarHBondContact O-CB 3.49Å; L202-M206 VanDerWaalsContact O-CG 3.3Å; L202-M206 WeakPolarHBondContact O-CG 3.47Å; L202-M206 PolarHBondContact O-N 3.16Å; A203-M206 PolarHBondContact O-N 3.41Å; T204-M206 PolarHBondContact O-N 3.03Å; M206-Q210 WeakPolarHBondContact O-CB 3.45Å; M206-Q210 WeakPolarHBondContact O-CG 3.35Å; M206-Q210 PolarHBondContact O-N 3.06Å; M206-Q210 VanDerWaalsContact O-N 3.15Å; M206-Q210 PolarHBondContact O-NE2 2.95Å
207C86.4Confident85.5Confident2 Ų251.4 Ų51.41%0.01430%0.298CS..Hα-helixtrans-76.9-45.9175.6-64.60000111.9F106 M107 A203 T204 A205 M209 Q210 M211F106-C207 WeakPolarHBondContact CD1-SG 3.47Å; F106-C207 WeakPolarHBondContact CE1-SG 3.45Å; M107-C207 HydrophobicContact CB-CB 3.82Å; M107-C207 HydrophobicContact CG-CB 3.99Å; A203-C207 PolarHBondContact O-N 3.15Å; A203-C207 PolarHBondContact O-SG 3.2Å; T204-C207 PolarHBondContact O-N 2.56Å; T204-C207 VanDerWaalsContact O-N 3.09Å; A205-C207 VanDerWaalsContact C-N 3.28Å; A205-C207 PolarHBondContact O-N 3.17Å; C207-M209 VanDerWaalsContact C-N 3.34Å; C207-M209 PolarHBondContact O-N 3.23Å; C207-Q210 CarbonylContact O-C 3.6Å; C207-Q210 WeakPolarHBondContact O-CB 3.49Å; C207-Q210 PolarHBondContact O-N 2.83Å; C207-Q210 VanDerWaalsContact O-N 3.08Å; C207-M211 PolarHBondContact O-N 3.31Å
208C86.8Confident83.8Confident47 Ų4756.8 Ų56.832%0.31832%0.321SS..Hα-helixtrans-60-45.1175-63.60000111.2T204 A205 Q210 M211 V212T204-C208 PolarHBondContact O-N 3.45Å; T204-C208 PolarHBondContact O-SG 3.49Å; A205-C208 PolarHBondContact O-N 3.05Å; C208-Q210 VanDerWaalsContact C-N 3.26Å; C208-Q210 PolarHBondContact O-N 3.13Å; C208-M211 PolarHBondContact O-N 2.91Å; C208-V212 WeakPolarHBondContact O-CG2 3.21Å; C208-V212 PolarHBondContact O-N 2.92Å
209M85.8Confident82Confident120 Ų12059.5 Ų59.559%0.59133%0.334SS*.Hα-helixtrans-64.4-29175-70.1-64.8-7400112.7A205 C207 S213A205-M209 WeakPolarHBondContact O-CB 3.42Å; A205-M209 VanDerWaalsContact O-CG 3.23Å; A205-M209 WeakPolarHBondContact O-CG 3.37Å; A205-M209 PolarHBondContact O-N 2.91Å; C207-M209 VanDerWaalsContact C-N 3.34Å; C207-M209 PolarHBondContact O-N 3.23Å; M209-S213 WeakPolarHBondContact O-CB 3.48Å; M209-S213 PolarHBondContact O-N 3.25Å; M209-S213 VanDerWaalsContact O-N 3.11Å; M209-S213 PolarHBondContact O-OG 3.23Å
210Q82.4Confident80.1Confident21 Ų2166.3 Ų66.310%0.09836%0.362CS..Hα-helixtrans-74.8-46172.9-88.3171.68200112.7M42 M206 C207 C208 S213 T214M42-Q210 VanDerWaalsContact CG-NE2 3.33Å; M42-Q210 PolarHBondContact SD-NE2 3.25Å; M206-Q210 WeakPolarHBondContact O-CB 3.45Å; M206-Q210 WeakPolarHBondContact O-CG 3.35Å; M206-Q210 PolarHBondContact O-N 3.06Å; M206-Q210 VanDerWaalsContact O-N 3.15Å; M206-Q210 PolarHBondContact O-NE2 2.95Å; C207-Q210 CarbonylContact O-C 3.6Å; C207-Q210 WeakPolarHBondContact O-CB 3.49Å; C207-Q210 PolarHBondContact O-N 2.83Å; C207-Q210 VanDerWaalsContact O-N 3.08Å; C208-Q210 VanDerWaalsContact C-N 3.26Å; C208-Q210 PolarHBondContact O-N 3.13Å; Q210-S213 CarbonylContact O-C 3.59Å; Q210-S213 WeakPolarHBondContact O-CA 3.49Å; Q210-S213 WeakPolarHBondContact O-CB 3.4Å; Q210-S213 PolarHBondContact O-N 2.95Å; Q210-S213 VanDerWaalsContact O-N 3.09Å; Q210-T214 PolarHBondContact O-N 3.43Å; Q210-T214 PolarHBondContact O-OG1 2.91Å
211M80.7Confident78Confident59 Ų5971.4 Ų71.429%0.29139%0.387SS..Hα-helixtrans-56.2-54.9176.6-168.4176.58000110.3T104 M107 C207 C208 S213 T214 D215T104-M211 HydrophobicContact CG2-SD 4.02Å; M107-M211 HydrophobicContact CE-SD 4.48Å; C207-M211 PolarHBondContact O-N 3.31Å; C208-M211 PolarHBondContact O-N 2.91Å; M211-S213 VanDerWaalsContact C-N 3.26Å; M211-S213 PolarHBondContact O-N 3.32Å; M211-T214 WeakPolarHBondContact CA-OG1 3.38Å; M211-T214 PolarHBondContact O-N 3.12Å; M211-T214 PolarHBondContact O-OG1 3.09Å; M211-D215 PolarHBondContact O-N 3.43Å
212V83.2Confident75.4Confident84 Ų8472.7 Ų72.751%0.50939%0.391SS..Hα-helixtrans-58.4-36.9174.8176.10000111.9C208 V216C208-V212 WeakPolarHBondContact O-CG2 3.21Å; C208-V212 PolarHBondContact O-N 2.92Å; V212-V216 HydrophobicContact CG1-CG2 4.43Å; V212-V216 VanDerWaalsContact O-CB 3.29Å; V212-V216 WeakPolarHBondContact O-CB 3.45Å; V212-V216 WeakPolarHBondContact O-CG2 3.37Å; V212-V216 PolarHBondContact O-N 2.96Å; V212-V216 VanDerWaalsContact O-N 3.13Å
213S80.2Confident72.9Confident40 Ų4076.2 Ų76.228%0.2841%0.405SS..Hα-helixtrans-68.9-33.5174.8-63.80000113.4R38 M209 Q210 M211 L217R38-S213 PolarHBondContact NH1-OG 3.12Å; M209-S213 WeakPolarHBondContact O-CB 3.48Å; M209-S213 PolarHBondContact O-N 3.25Å; M209-S213 VanDerWaalsContact O-N 3.11Å; M209-S213 PolarHBondContact O-OG 3.23Å; Q210-S213 CarbonylContact O-C 3.59Å; Q210-S213 WeakPolarHBondContact O-CA 3.49Å; Q210-S213 WeakPolarHBondContact O-CB 3.4Å; Q210-S213 PolarHBondContact O-N 2.95Å; Q210-S213 VanDerWaalsContact O-N 3.09Å; M211-S213 VanDerWaalsContact C-N 3.26Å; M211-S213 PolarHBondContact O-N 3.32Å; S213-L217 WeakPolarHBondContact O-CB 3.32Å; S213-L217 PolarHBondContact O-N 3.36Å; S213-L217 VanDerWaalsContact O-N 3.13Å
214T71.4Confident70.5Confident59 Ų5984.9 Ų84.936%0.36244%0.437SS..Hα-helixtrans-77.1-39.317846.20000111.7Q210 M211 L217 Q218Q210-T214 PolarHBondContact O-N 3.43Å; Q210-T214 PolarHBondContact O-OG1 2.91Å; M211-T214 WeakPolarHBondContact CA-OG1 3.38Å; M211-T214 PolarHBondContact O-N 3.12Å; M211-T214 PolarHBondContact O-OG1 3.09Å; T214-L217 CarbonylContact O-C 3.57Å; T214-L217 PolarHBondContact O-N 2.85Å; T214-Q218 WeakPolarHBondContact O-CB 3.41Å; T214-Q218 WeakPolarHBondContact O-CG 3.47Å; T214-Q218 PolarHBondContact O-N 3.27Å
215D72.8Confident67.7Low73 Ų7387.3 Ų87.339%0.3946%0.46SS..Hα-helixtrans-68.7-44.5-178.1-53.9-17.8000109.7M211 L217 Q218 M219M211-D215 PolarHBondContact O-N 3.43Å; D215-L217 VanDerWaalsContact C-N 3.34Å; D215-L217 PolarHBondContact O-N 3.05Å; D215-Q218 PolarHBondContact O-N 2.97Å; D215-M219 WeakPolarHBondContact O-CB 3.28Å; D215-M219 PolarHBondContact O-N 2.89Å
216V69.6Low65.1Low72 Ų7294.7 Ų94.744%0.43648%0.477SS..Hα-helixtrans-61.6-40.1170.7171.20000111.4V212 M219 F220V212-V216 HydrophobicContact CG1-CG2 4.43Å; V212-V216 VanDerWaalsContact O-CB 3.29Å; V212-V216 WeakPolarHBondContact O-CB 3.45Å; V212-V216 WeakPolarHBondContact O-CG2 3.37Å; V212-V216 PolarHBondContact O-N 2.96Å; V212-V216 VanDerWaalsContact O-N 3.13Å; V216-M219 PolarHBondContact O-N 2.68Å; V216-F220 HydrophobicContact CG1-CD2 3.7Å; V216-F220 HydrophobicContact CG1-CE2 3.69Å; V216-F220 WeakPolarHBondContact O-CD2 3.35Å; V216-F220 PolarHBondContact O-N 3.09Å
217L61.4Low62.5Low90 Ų9096 Ų9647%0.47150%0.495SS..Hα-helixtrans-69.2-33.8177.9-172.666.6000112.6S213 T214 D215 F220 M221S213-L217 WeakPolarHBondContact O-CB 3.32Å; S213-L217 PolarHBondContact O-N 3.36Å; S213-L217 VanDerWaalsContact O-N 3.13Å; T214-L217 CarbonylContact O-C 3.57Å; T214-L217 PolarHBondContact O-N 2.85Å; D215-L217 VanDerWaalsContact C-N 3.34Å; D215-L217 PolarHBondContact O-N 3.05Å; L217-F220 PolarHBondContact O-N 3.24Å; L217-M221 WeakPolarHBondContact O-CB 3.31Å; L217-M221 PolarHBondContact O-N 2.86Å; L217-M221 VanDerWaalsContact O-N 3.11Å
218Q59.3Low60.3Low141 Ų141102.5 Ų102.566%0.65953%0.529SS*.Hα-helixtrans-67.3-44.5172.4-78.1-175-26.200111.2T214 D215 F220 M221T214-Q218 WeakPolarHBondContact O-CB 3.41Å; T214-Q218 WeakPolarHBondContact O-CG 3.47Å; T214-Q218 PolarHBondContact O-N 3.27Å; D215-Q218 PolarHBondContact O-N 2.97Å; Q218-F220 PolarHBondContact O-N 3.18Å; Q218-M221 CarbonylContact O-C 3.35Å; Q218-M221 PolarHBondContact O-N 3.21Å
219M58.2Low57.9Low156 Ų156107.9 Ų107.977%0.76855%0.554SS**Hα-helixtrans-61.4-31.1175.3-172.8169-80.700112.6D215 V216 P222D215-M219 WeakPolarHBondContact O-CB 3.28Å; D215-M219 PolarHBondContact O-N 2.89Å; V216-M219 PolarHBondContact O-N 2.68Å; M219-P222 WeakPolarHBondContact O-CD 3.28Å; M219-P222 WeakPolarHBondContact O-CG 3.39Å
220F55.4Low55.8Low165 Ų165106.1 Ų106.172%0.72456%0.559SS**THydrogen-bonded Turntrans-85.6-4171.2-77.8-61.9000115.3V216 L217 Q218V216-F220 HydrophobicContact CG1-CD2 3.7Å; V216-F220 HydrophobicContact CG1-CE2 3.69Å; V216-F220 WeakPolarHBondContact O-CD2 3.35Å; V216-F220 PolarHBondContact O-N 3.09Å; L217-F220 PolarHBondContact O-N 3.24Å; Q218-F220 PolarHBondContact O-N 3.18Å
221M50.7Low53.5Low107 Ų107113.6 Ų113.653%0.52759%0.593SS.*  trans-133.543.7177.5-78.4-76.5-175.200115.7L217 Q218 H223 R224L217-M221 WeakPolarHBondContact O-CB 3.31Å; L217-M221 PolarHBondContact O-N 2.86Å; L217-M221 VanDerWaalsContact O-N 3.11Å; Q218-M221 CarbonylContact O-C 3.35Å; Q218-M221 PolarHBondContact O-N 3.21Å; M221-H223 VanDerWaalsContact C-N 3.32Å; M221-H223 PolarHBondContact O-N 2.94Å; M221-R224 HydrophobicContact SD-CB 4.2Å
222P40.7Very low51Low72 Ų72115.1 Ų115.147%0.46861%0.609SS.*THydrogen-bonded Turntrans-64.7-33.9-177.6-19.233.4000113.8M219M219-P222 WeakPolarHBondContact O-CD 3.28Å; M219-P222 WeakPolarHBondContact O-CG 3.39Å
223H40.4Very low48.6Very low167 Ų167120.2 Ų120.277%0.77363%0.63SS**THydrogen-bonded Turntrans-92.3-24.4-167.3-63.8-64.5000115.4M221M221-H223 VanDerWaalsContact C-N 3.32Å; M221-H223 PolarHBondContact O-N 2.94Å
224R42.2Very low46.3Very low183 Ų183123.9 Ų123.969%0.69165%0.65SS**THydrogen-bonded Turntrans-92.5-24.2-172.5-157.9167.9-172.2140.34.2114.5M221 R226 A227M221-R224 HydrophobicContact SD-CB 4.2Å; R224-R226 VanDerWaalsContact C-N 3.33Å; R224-R226 PolarHBondContact O-N 2.92Å; R224-A227 PolarHBondContact O-N 3.28Å
225A33.5Very low44.9Very low78 Ų78125.6 Ų125.665%0.64566%0.663SS**G310 helixtrans-67.5-31.4-179.500000113.3A227A225-A227 VanDerWaalsContact C-N 3.28Å; A225-A227 PolarHBondContact O-N 2.96Å
226R37.6Very low42.8Very low208 Ų208131 Ų13179%0.78569%0.685SS**G310 helixtrans-78-9.7179.5-160.6174.4-76.8117.6-8.4113.4R224R224-R226 VanDerWaalsContact C-N 3.33Å; R224-R226 PolarHBondContact O-N 2.92Å
227A33.3Very low40.9Very low71 Ų71131.1 Ų131.159%0.58770%0.701SS**G310 helixtrans-101.18.8-174.400000115R224 A225R224-A227 PolarHBondContact O-N 3.28Å; A225-A227 VanDerWaalsContact C-N 3.28Å; A225-A227 PolarHBondContact O-N 2.96Å
228L39.8Very low39.7Very low140 Ų140132.9 Ų132.973%0.73372%0.716SS**SBendtrans-119.717.9-180-69.9177.2000113.9
229N37.3Very low38.9Very low160 Ų160133.5 Ų133.586%0.85672%0.722SS**SBendtrans-137.744172.4-88.4-75.2000111.2
230A41.6Very low37.8Very low82 Ų82133.3 Ų133.368%0.67872%0.723SS**  trans-146.354.7178.600000110.9
231E33.5Very low36.8Very low178 Ų178133.8 Ų133.883%0.83273%0.728SS**SBendtrans-148.1136165.7-164.353.1-89.900112.4
232C28.3Very low35.8Very low92 Ų92136.7 Ų136.762%0.62274%0.74SS**  trans34.8103.1173.2-155.40000120.6T234C232-T234 PolarHBondContact SG-OG1 3.37Å; C232-T234 VanDerWaalsContact SG-OG1 3.34Å
233M32.4Very low35.7Very low190 Ų190138.4 Ų138.494%0.93675%0.749SS**  trans-98.5103.8150.3-103.9-76.6174.100110.1
234T31.8Very low35.7Very low117 Ų117138.2 Ų138.272%0.71875%0.753SS**  trans-139.7153.8156.637.20000111.5C232C232-T234 PolarHBondContact SG-OG1 3.37Å; C232-T234 VanDerWaalsContact SG-OG1 3.34Å
235P42.4Very low35.1Very low96 Ų96137.1 Ų137.162%0.62376%0.761SS**  trans-101.4173.3-157.938.1-35.3000116
236H29.7Very low35.3Very low186 Ų186142.9 Ų142.986%0.86177%0.772SS**  trans70.5114.3-177.2-39.8-75.1000111.7
237G29.8Very low35.7Very low75 Ų75140.7 Ų140.777%0.77378%0.776SS**  cis113.5134.646.900000107
238T36.6Very low36.4Very low126 Ų126144.8 Ų144.877%0.77378%0.783SS**  cis-157.5151.918.248.20000112.4
239I42.2Very low36.4Very low155 Ų155146.6 Ų146.680%0.79579%0.785SS**  trans48.7102.1146.1-53.5159.1000117.9
240L33.7Very low37.4Very low151 Ų151144.9 Ų144.979%0.79177%0.774SS**  -164.5150.1111.7-119.1167000111.5
241H34.5Very low37.9Very low176 Ų176145.3 Ų145.382%0.81577%0.77SS**  trans-126.992.2174.7173.7-68.9000108.2
242Q31.2Very low38.7Very low167 Ų167142.1 Ų142.178%0.7877%0.765SS**  trans-131.3132.4177.4-163.494.919.700109.5
243T37.6Very low39.9Very low109 Ų109145.4 Ų145.467%0.66978%0.775SS**  trans-75.2151171.640.80000112
244L40.3Very low41Very low163 Ų163141.3 Ų141.385%0.85376%0.762SS**  trans6998.9170.4-61.4162.1000115
245D29.4Very low42.1Very low159 Ų159141 Ų14185%0.8576%0.762SS**  -145.2172.2101.7-142.8-25.7000110.8
246F38.3Very low42.6Very low200 Ų200141.7 Ų141.788%0.87777%0.766SS**  trans-146.970.3-176.3-114.6-70.6000111.5
247D46.6Very low43.6Very low162 Ų162138.8 Ų138.887%0.86676%0.764SS**  trans-153.5171.5156.6-135.7-35.3000113
248E46.8Very low44.4Very low157 Ų157146.2 Ų146.273%0.73477%0.771SS**  trans54.860.6171.8-159.1162.4-146.300117.2I250E248-I250 HydrophobicContact CG-CD1 4.33Å; E248-I250 HydrophobicContact CG-CG1 4.03Å
249F40.4Very low45.1Very low177 Ų177148.1 Ų148.178%0.77677%0.765SS**  trans-90.594.8154.8-168.4-90.3000110.3P251F249-P251 WeakPolarHBondContact O-CD 3.29Å
250I57.4Low45.3Very low125 Ų125145.3 Ų145.364%0.64176%0.756SS**PPolyproline II helixtrans-71.3117.3169-57.9174.9000107.8E248E248-I250 HydrophobicContact CG-CD1 4.33Å; E248-I250 HydrophobicContact CG-CG1 4.03Å
251P52.7Low45.8Very low91 Ų91142.5 Ų142.559%0.59175%0.747SS**PPolyproline II helixtrans-68.4145.1177.429.3-34.3000110.4F249 I253F249-P251 WeakPolarHBondContact O-CD 3.29Å; P251-I253 PolarHBondContact O-N 2.76Å
252P51.1Low46Very low110 Ų110140.6 Ų140.671%0.71474%0.739SS**PPolyproline II helixtrans-59.7138174.925.8-33.8000110.4
253I52.1Low46.3Very low162 Ų162142.5 Ų142.583%0.83174%0.74SS**PPolyproline II helixtrans-57.8128.5178.8-59.2171.8000108.2P251P251-I253 PolarHBondContact O-N 2.76Å
254P55.4Low46.3Very low103 Ų103142.3 Ų142.367%0.66974%0.739SS**PPolyproline II helixtrans-61.6142.2176.326.6-34.3000109.7
255P55.8Low46.2Very low111 Ų111140.2 Ų140.272%0.72174%0.737SS**PPolyproline II helixtrans-56.4144.4172.426-34000109.4
256P52.5Low46.6Very low110 Ų110138 Ų13871%0.71473%0.729SS**PPolyproline II helixtrans-56.5142.8179.124.9-34000109.8Y258P256-Y258 PolarHBondContact O-N 3.13Å
257P51.6Low46.5Very low125 Ų125133.9 Ų133.981%0.81272%0.722SS**PPolyproline II helixtrans-59.5126.9-176.924.5-33.6000109.7Y259P257-Y259 PolarHBondContact O-N 2.95Å
258Y46.2Very low46.1Very low232 Ų232131.7 Ų131.791%0.9172%0.72SS**  trans-63.2101.1169.9-100.8-92.2000108.4P256 P260P256-Y258 PolarHBondContact O-N 3.13Å; Y258-P260 WeakPolarHBondContact O-CD 3.33Å
259Y51.8Low45.8Very low166 Ų166132.7 Ų132.765%0.65173%0.727SS**PPolyproline II helixtrans-70.1119.7167.8-164.2-112.8000107.4P257 E262P257-Y259 PolarHBondContact O-N 2.95Å; Y259-E262 HydrophobicContact CE1-CG 3.89Å; Y259-E262 WeakPolarHBondContact CE1-OE1 3.39Å; Y259-E262 PolarHBondContact OH-OE1 2.85Å
260P45.1Very low45.5Very low95 Ų95132.3 Ų132.362%0.61773%0.733SS**PPolyproline II helixtrans-62.4142.8171.928.5-33.5000108.2Y258 E262Y258-P260 WeakPolarHBondContact O-CD 3.33Å; P260-E262 PolarHBondContact O-N 3.37Å
261P45.4Very low44.6Very low93 Ų93129.2 Ų129.260%0.60473%0.732SS**PPolyproline II helixtrans-59.2130178.824.7-33.4000110Y263P261-Y263 HydrophobicContact CG-CE2 4.15Å; P261-Y263 PolarHBondContact O-N 2.85Å
262E38.7Very low43.8Very low136 Ų136133.9 Ų133.964%0.63675%0.746SS**  trans-60.7101.8168-82.3172-117.100108.9Y259 P260 T264Y259-E262 HydrophobicContact CE1-CG 3.89Å; Y259-E262 WeakPolarHBondContact CE1-OE1 3.39Å; Y259-E262 PolarHBondContact OH-OE1 2.85Å; P260-E262 PolarHBondContact O-N 3.37Å; E262-T264 PolarHBondContact O-N 3.23Å
263Y36.2Very low43.1Very low206 Ų206141 Ų14181%0.80876%0.758SS**  trans-70.687.9159.7-70.7-77.9000107.6P261 C265P261-Y263 HydrophobicContact CG-CE2 4.15Å; P261-Y263 PolarHBondContact O-N 2.85Å; Y263-C265 PolarHBondContact O-N 3.02Å
264T38.9Very low42Very low106 Ų106136.5 Ų136.565%0.6575%0.752SS**  trans-65.574.8169.8-51.40000109.1E262 T266E262-T264 PolarHBondContact O-N 3.23Å; T264-T266 HydrophobicContact CG2-CG2 4.29Å; T264-T266 PolarHBondContact O-N 3.47Å
265C38.3Very low40.9Very low119 Ų119139.8 Ų139.880%0.80476%0.763SS**  trans-70.887.2172.6-1650000107.1Y263 P267Y263-C265 PolarHBondContact O-N 3.02Å; C265-P267 VanDerWaalsContact O-CD 3.24Å; C265-P267 WeakPolarHBondContact O-CD 3.42Å; C265-P267 VanDerWaalsContact O-N 3.12Å
266T36.8Very low39.8Very low111 Ų111142 Ų14268%0.68176%0.763SS**  trans-58113.5178.949.30000108.7T264 S268T264-T266 HydrophobicContact CG2-CG2 4.29Å; T264-T266 PolarHBondContact O-N 3.47Å; T266-S268 PolarHBondContact O-N 3.2Å
267P37.6Very low38.9Very low114 Ų114144.3 Ų144.374%0.7477%0.769SS**  trans-69.3110.7178.628.1-32.1000107.9C265 M269C265-P267 VanDerWaalsContact O-CD 3.24Å; C265-P267 WeakPolarHBondContact O-CD 3.42Å; C265-P267 VanDerWaalsContact O-N 3.12Å; P267-M269 PolarHBondContact O-N 2.73Å
268S36.7Very low38Very low117 Ų117143.9 Ų143.982%0.81876%0.76SS**  trans-69.182.916957.40000108.5T266 D270T266-S268 PolarHBondContact O-N 3.2Å; S268-D270 VanDerWaalsContact C-N 3.32Å; S268-D270 PolarHBondContact O-N 3.36Å
269M40.4Very low37.3Very low178 Ų178142.2 Ų142.288%0.87776%0.758SS**  trans-70.293168.8-76-160.670.800109.1P267P267-M269 PolarHBondContact O-N 2.73Å
270D34.5Very low36.7Very low168 Ų168139.8 Ų139.890%0.89876%0.762SS**  trans-143.4136.1146.9-141.5-14.8000108.9S268S268-D270 VanDerWaalsContact C-N 3.32Å; S268-D270 PolarHBondContact O-N 3.36Å
271G38.6Very low36.1Very low60 Ų60144.5 Ų144.562%0.61978%0.776SS**  trans171.1140.6-175.300000114.2
272Q36.9Very low35.3Very low190 Ų190145.6 Ų145.689%0.88879%0.786SS**  trans-163.5107.8170.3-108.3156.426.200112.2
273R35.6Very low35.3Very low258 Ų258143.5 Ų143.597%0.97478%0.784SS**  -173.8121.5121.6-105-173.2-75.6176-4.4110
274G29.4Very low35Very low68 Ų68143.3 Ų143.370%0.70179%0.787SS**  cis156.7151.3-11.700000112.3
275L33Very low34.8Very low173 Ų173143 Ų14391%0.90679%0.789SS**  trans-150.895.4162.8-107.5175.3000110.6
276H31.2Very low34.6Very low156 Ų156142.1 Ų142.172%0.72279%0.791SS**  trans25105.1141.8-175.9-71.9000119
277L34.8Very low34.7Very low159 Ų159143.5 Ų143.583%0.83279%0.793SS**  trans-163.4158.6136-106.1156.4000110.2
278D32.3Very low34.6Very low116 Ų116148.7 Ų148.762%0.6280%0.799SS**  trans-83.3178.5-156.6-76.1-78.8000118
279F32.3Very low34.3Very low197 Ų197146.6 Ų146.686%0.86480%0.796SS**  trans106.5147.3160.6-59.5-68.7000117.2
280P38.1Very low34Very low116 Ų116144.5 Ų144.575%0.75379%0.793SS**  -108.8174.1-126.640.5-38.9000117.3
281H32.1Very low34.2Very low194 Ų194141.5 Ų141.590%0.89878%0.782SS**  trans-59.7152.4-172.1-48.8-82.1000117.2
282S30Very low34.2Very low116 Ų116146.6 Ų146.681%0.81179%0.794SS**  trans-134.7147.1142.2-169.30000108.9
283P37.4Very low34.1Very low92 Ų92144.4 Ų144.460%0.59779%0.788SS**  trans-109.7-176.6-164.834.1-19.5000114.7
284F31Very low33.8Very low201 Ų201137.5 Ų137.588%0.88278%0.78SS**  trans74.2137.1-178.5-49.9-80.7000115
285S33.2Very low34.3Very low99 Ų99140.5 Ų140.569%0.69279%0.786SS**  cis-136.1122.90.758.50000112.4
286A34Very low34.4Very low102 Ų102135.2 Ų135.284%0.84377%0.774SS**  trans-80.6132.5150.200000108.5
287I39Very low34.4Very low140 Ų140134.4 Ų134.472%0.71878%0.78SS**  trans-164.1140.8164.3-102.9148.5000107.5
288Y36Very low34.4Very low223 Ų223134.4 Ų134.488%0.87578%0.78SS**  trans57.787.3-173.8-65.9-64.6000117.4
289G30.8Very low34.5Very low72 Ų72139.2 Ų139.274%0.74279%0.791SS**  trans-110.3140.4146.700000110.4
290V34.5Very low34.8Very low134 Ų134134.5 Ų134.581%0.81278%0.781SS**  trans-139.9113.3159.8178.50000107.4
291P38.3Very low35.1Very low105 Ų105135.4 Ų135.468%0.68278%0.784SS**  trans-87.4143.1177.433.6-32.6000111.8
292I38.4Very low35.5Very low168 Ų168132.9 Ų132.986%0.86278%0.777SS**  trans-112.4139.3161.450.6173.5000108.8
293N35.1Very low36.5Very low144 Ų144134.3 Ų134.377%0.7778%0.775SS**  trans-97131.3-158.8-69.2-69.9000114.4
294S29.7Very low37.1Very low113 Ų113135.6 Ų135.679%0.7978%0.783SS**  trans64167.4146.3-720000119.6
295P38.5Very low38Very low130 Ų130130.3 Ų130.384%0.84477%0.769SS**  cis-102.8166.5-12.937.7-28.5000112.3
296G35.1Very low38.5Very low62 Ų62130.7 Ų130.764%0.63977%0.769SS**  trans-113.3172.9-179.200000114.3
297T31.3Very low38.6Very low140 Ų140135.6 Ų135.686%0.85977%0.767SS**  trans67.7142.4171.272.20000115.4
298L35.6Very low39.1Very low158 Ų158137.6 Ų137.683%0.82777%0.774SS**  cis-128.4150.88.2-68.5160.6000110.7
299Y34.9Very low39.6Very low217 Ų217130.7 Ų130.785%0.85176%0.758SS**  trans-87.9131.7158.3-130.2-88.7000107.7T301Y299-T301 PolarHBondContact O-N 2.65Å
300P37.6Very low40.5Very low99 Ų99132.6 Ų132.664%0.64376%0.755SS**  trans-66.1125.3176.6-21.433.6000111.4D302P300-D302 PolarHBondContact O-N 2.97Å
301T44.9Very low41.2Very low134 Ų134132.7 Ų132.782%0.82276%0.755SS**  trans-90.846.8175.2-44.10000110.7Y299Y299-T301 PolarHBondContact O-N 2.65Å
302D39.4Very low41.3Very low141 Ų141130.6 Ų130.675%0.75475%0.753SS**PPolyproline II helixtrans-99.4119.2176.7-71-59.8000109.8P300P300-D302 PolarHBondContact O-N 2.97Å
303L51.6Low41.1Very low147 Ų147131.9 Ų131.977%0.7776%0.755SS**PPolyproline II helixtrans-67.2146.4167.2-76.373.9000108.5
304P50Low40.8Very low118 Ų118131.4 Ų131.477%0.76676%0.758SS**PPolyproline II helixtrans-58.6135.2169.226.7-33.9000109.3
305P49.6Very low41.2Very low91 Ų91132 Ų13259%0.59176%0.759SS**PPolyproline II helixtrans-62.8152.7179.126.6-34.5000111
306P43.9Very low40.7Very low107 Ų107130.7 Ų130.770%0.69576%0.759SS**PPolyproline II helixtrans-60.7155.6172.427.9-34.7000110.8E308P306-E308 PolarHBondContact O-N 2.81Å
307Y36.9Very low40.4Very low204 Ų204133.7 Ų133.780%0.877%0.77SS**G310 helixtrans-64.12.9-165.3-171.7-105000116.3
308E48.5Very low40.4Very low182 Ų182135.6 Ų135.685%0.8577%0.769SS**G310 helixtrans-88.2-4.6-177.8-58.3-168.9152.500113.7P306P306-E308 PolarHBondContact O-N 2.81Å
309S47.8Very low40Very low79 Ų79134.7 Ų134.755%0.55277%0.77SS**G310 helixtrans-97.611.9179.374.10000115.3
310V48.9Very low39.7Very low112 Ų112129.5 Ų129.568%0.67976%0.761SS**SBendtrans-106.70.5-179.1-175.50000112.3
311V49.1Very low39.3Very low135 Ų135130.7 Ų130.782%0.81877%0.766SS**SBendtrans-121.3101.3173.3-177.90000109.7
312G41.1Very low38.2Very low61 Ų61128.8 Ų128.863%0.62976%0.759SS**  trans123.498.9172.600000113.7
313H33.3Very low37.9Very low196 Ų196129.6 Ų129.691%0.90776%0.761SS**  -179.4127127.7-97.191.6000109.6
314T29.2Very low36.8Very low134 Ų134129.7 Ų129.782%0.82276%0.758SS**  trans-127.8150.6160.441.60000108.1
315P38.3Very low35.8Very low125 Ų125131.1 Ų131.181%0.81275%0.754SS**PPolyproline II helixtrans-87.3154.9-14131.9-37.3000115.4
316A28.6Very low34.7Very low102 Ų102134.8 Ų134.884%0.84376%0.763SS**PPolyproline II helixtrans-74141.1167.300000111.5
317S28.4Very low33.9Very low125 Ų125133.5 Ų133.587%0.87476%0.762SS**PPolyproline II helixtrans-96.5151.4162.4-166.90000110.1
318Q31.6Very low33.4Very low180 Ų180130 Ų13084%0.84176%0.762SS**PPolyproline II helixtrans-94.5150.9-173.4-57.4172.614.900111.8
319V26.7Very low32.3Very low140 Ų140130.5 Ų130.585%0.84877%0.765SS**  trans153.9139152.9150.90000109
320T28.4Very low31.2Very low107 Ų107131.9 Ų131.966%0.65677%0.774SS**  cis-163.4139.5-24-830000107.4
321T28.2Very low30.1Very low124 Ų124131.6 Ų131.676%0.76178%0.777SS**  trans8.5143.3164.966.80000120.8
322S23.5Very low29Very low95 Ų95132.5 Ų132.566%0.66478%0.777SS**  177166.662.260.30000113.4
323I33.3Very low28.2Very low157 Ų157134.3 Ų134.381%0.80578%0.778SS**  trans63118.5161.7-62.4161.7000115.6
324E27Very low27.9Very low150 Ų150131.7 Ų131.770%0.70177%0.771SS**  cis109.3136.723.8-176.6164.7134.100113.6
325Q28.9Very low27.9Very low147 Ų147136.2 Ų136.269%0.68777%0.773SS**  trans73.8145.1167.8-83.1165.542.400117.8
326Q27.5Very low27.4Very low168 Ų168136.5 Ų136.579%0.78577%0.768SS**  cis-157.3163.2-6.8-150.5168.2-9.800113.2
327A27.4Very low27.4Very low81 Ų81137 Ų13767%0.66976%0.761SS**  trans9.3127.7161.200000123.5
328T25.7Very low27.4Very low131 Ų131136.8 Ų136.880%0.80475%0.754SS**  13.8126119.4-40.70000120
329E25.6Very low27.2Very low192 Ų192133 Ų13390%0.89775%0.754SS**  -169.1-168.3118.6-107.6-167.5145.800113.7
330S24.8Very low27.1Very low108 Ų108129.7 Ų129.776%0.75575%0.748SS**  trans-135.9-179.2-158.271.60000114.8
331S25.5Very low26.9Very low105 Ų105134.8 Ų134.873%0.73476%0.761SS**  trans73.2125.6179.6-164.50000114.6
332L25.6Very low26.7Very low155 Ų155133.1 Ų133.181%0.81276%0.755SS**  cis93.4133.238-174.5144.1000114
333C25Very low27Very low99 Ų99133.8 Ų133.867%0.66976%0.755SS**  trans85.9119.3175.3-90.20000121.1
334D26.6Very low26.8Very low140 Ų140135 Ų13575%0.74976%0.757SS**  trans60.1145.3142.1-69-82.4000120.8
335R28.6Very low26.6Very low229 Ų229132.4 Ų132.486%0.86476%0.762SS**  cis-160.3155.832.8-166.7164.3154.793.4-7.4113.8
336N28.1Very low26.4Very low131 Ų131131.1 Ų131.170%0.70177%0.769SS**  trans-54.1153.9172178.632.6000115.7
337T29.9Very low26.5Very low114 Ų114129.1 Ų129.170%0.69977%0.768SS**  167.2104.4125.3-66.70000115.4
338T26.9Very low26.4Very low119 Ų119132.7 Ų132.773%0.7378%0.776SS**  trans67.1136.8136-55.40000124.8
339A27.6Very low26.5Very low102 Ų102132 Ų13284%0.84378%0.776SS**  trans72145.9160.300000119.3
340G24.7Very low26.6Very low70 Ų70127.4 Ų127.472%0.72277%0.771SS**  cis-175.5-176.4-2.200000114.6
341F23.8Very low26.7Very low213 Ų213127.6 Ų127.693%0.93477%0.772SS**  trans-34.1150.1171.7-77.5-104.8000114.6
342S23.8Very low26.7Very low90 Ų90130 Ų13063%0.62978%0.776SS**  cis-173175.839.7-154.80000113.8
343T30.4Very low26.8Very low109 Ų109131.4 Ų131.467%0.66978%0.781SS**  trans5150143.556.60000120.5
344Q28.3Very low26.8Very low182 Ų182133.3 Ų133.385%0.8579%0.789SS**  cis-162.8-173.320.8-135170.316.500113.5
345A23Very low26.8Very low96 Ų96131.8 Ų131.879%0.79379%0.789SS**  trans-54.2162178.600000117.8
346S26.3Very low26.7Very low120 Ų120130.4 Ų130.484%0.83979%0.793SS**  trans-154.8162.3142.1-162.80000112.4
347V29.2Very low26.9Very low126 Ų126130.6 Ų130.676%0.76480%0.798SS**  trans-94.1135.5-164.7-81.90000115.2
348D24.8Very low26.9Very low156 Ų156129.7 Ų129.783%0.83480%0.803SS**  61.8169117.7-143.4-9.8000122.1
349S28Very low27.2Very low115 Ų115130.7 Ų130.780%0.80480%0.804SS**  trans85.8131.3168.3-60.50000119.9
350A27.8Very low27.1Very low97 Ų97134.3 Ų134.380%0.80280%0.803SS**  trans-114.1164.7-173.500000114
351S26.5Very low27.4Very low111 Ų111136.3 Ų136.378%0.77680%0.797SS**  trans-158.9110.9156.9-67.30000108
352L26.4Very low27.8Very low156 Ų156134.4 Ų134.482%0.81779%0.791SS**  54.6112.393.6-75174.9000115.3
353M27.9Very low28.1Very low185 Ų185136.6 Ų136.691%0.91180%0.801SS**  trans-154.5157.6138.2-85.3-46.6142.600111.5
354V24.8Very low28Very low138 Ų138135.5 Ų135.584%0.83680%0.797SS**  trans-66.5158.5-163.7174.60000116.4
355S26.7Very low28Very low108 Ų108132 Ų13276%0.75579%0.793SS**  trans-71157.4176.2-30.20000115.9
356E25.4Very low28.3Very low200 Ų200132.7 Ų132.794%0.93579%0.792SS**  -150.9-178.8124.1-157.7151.1116.400109.9
357V33.1Very low28.4Very low135 Ų135135 Ų13582%0.81879%0.789SS**  trans-106.7147.7-163.480.70000113.8
358A29.1Very low28.6Very low96 Ų96136.6 Ų136.679%0.79379%0.793SS**  trans-151.4141.8158.500000109.6
359D33.2Very low28.9Very low140 Ų140136.7 Ų136.775%0.74979%0.793SS**  trans-91.1144.9175.7-158.6-65.5000110.2
360Q26.7Very low28.8Very low178 Ų178137.3 Ų137.383%0.83280%0.796SS**  trans-148.393.9179-166.790.983.900109.2Q362Q360-Q362 PolarHBondContact O-N 2.91Å
361D29.2Very low28.9Very low112 Ų112138.4 Ų138.460%0.59980%0.798SS**  trans-66.8125.5175.1-116.8-33.5000110.8K723D361-K723 IonicContact OD1-NZ 2.81Å; D361-K723 PolarHBondContact OD1-NZ 2.92Å; D361-K723 IonicContact OD2-NZ 2.65Å; D361-K723 PolarHBondContact OD2-NZ 2.75Å
362Q32.9Very low29.2Very low172 Ų172140.4 Ų140.480%0.80480%0.799SS**  trans-115.2102.9-179.8-164.6161.444.500110.4Q360 C364Q360-Q362 PolarHBondContact O-N 2.91Å; Q362-C364 PolarHBondContact O-N 3.43Å
363T31.1Very low29.5Very low136 Ų136141.7 Ų141.783%0.83480%0.8SS**  trans-66.2115.5-178.4-50.80000110.9
364C27.8Very low29.6Very low87 Ų87139.1 Ų139.159%0.58880%0.795SS**  trans-84.5115.1174.6-170.90000110.2Q362 C720Q362-C364 PolarHBondContact O-N 3.43Å; C364-C720 HydrophobicContact CB-CB 4.44Å
365S27.8Very low30Very low109 Ų109140.9 Ų140.976%0.76279%0.794SS**  trans-105.2146.9167.4-169.60000109.1
366S28.8Very low30Very low110 Ų110138.7 Ų138.777%0.76979%0.788SS**  trans-105.2132.4178.9-167.50000110
367E28.8Very low30.3Very low167 Ų167134.6 Ų134.678%0.7878%0.782SS**  trans-121.5127.2171.660.6-165.6114.100109.8
368D33.7Very low30Very low161 Ų161135.7 Ų135.786%0.86178%0.784SS**  trans-87.5130.5177.4-74.9-63000110
369L30.6Very low30.1Very low158 Ų158136.3 Ų136.383%0.82778%0.782SS**  trans-129.5132.6172.6-84.4172.6000112.3
370C27.2Very low29.9Very low128 Ų128134.3 Ų134.387%0.86578%0.779SS**  trans-79.4140.5169.3-65.50000110.7
371S29.4Very low30.8Very low120 Ų120131.9 Ų131.984%0.83978%0.778SS**  trans-109.9139.7161.4-70.10000110.7
372L33.3Very low30.8Very low153 Ų153136.2 Ų136.280%0.80179%0.792SS**  trans-133.6109.6-178.4-175.6164000108
373E31.5Very low30.6Very low182 Ų182131.3 Ų131.385%0.8579%0.788SS**  trans-123.1108.2175.6-65-175.1105.600107.4
374V31.3Very low30.6Very low131 Ų131131 Ų13179%0.79479%0.786SS**  88.4132.368.4168.20000111.8
375Q31.6Very low30.6Very low175 Ų175134.5 Ų134.582%0.81880%0.798SS**PPolyproline II helixtrans-82.6129.5-163.1-172.177.956.100112.7
376G28.5Very low30.6Very low62 Ų62137.4 Ų137.464%0.63980%0.8SS**PPolyproline II helixtrans-95.2136.8157.800000110.8
377S29.9Very low30.6Very low115 Ų115139.4 Ų139.480%0.80481%0.807SS**PPolyproline II helixtrans-84.3154.4-177.6-54.10000112.9
378D28.5Very low30.7Very low158 Ų158135.8 Ų135.885%0.84581%0.806SS**  trans-149.2167.3140.4-135-37.5000112.9
379S30.7Very low31.3Very low109 Ų109133 Ų13376%0.76280%0.797SS**  trans-78.8160.7-150.349.90000118.6
380S29.6Very low31.3Very low97 Ų97131 Ų13168%0.67879%0.791SS**  trans-116.9152.2168.5-178.10000108.9
381P43.8Very low31.6Very low127 Ų127132.6 Ų132.683%0.82579%0.791SS**  -143.6153.3103.836.2-21.6000115.4
382F29.8Very low31.7Very low203 Ų203130.7 Ų130.789%0.8979%0.791SS**  trans-79.5152.4170.5-112.4-99.3000112.6
383G29.4Very low31.5Very low69 Ų69128.7 Ų128.771%0.71179%0.79SS**  trans-126.2107.8170.800000112.3
384T29.8Very low31.2Very low131 Ų131125.2 Ų125.280%0.80478%0.784SS**  trans-26.8135.9166.2-17.20000114
385L28.8Very low31.2Very low159 Ų159126 Ų12683%0.83279%0.789SS**  -163.3164.366.1-131.9113.9000114.5
386Q27.6Very low31Very low170 Ų170122.2 Ų122.279%0.79478%0.782SS**  trans-94.8149.4174.1-62.4174.3-19.200112.8
387T29.4Very low31Very low152 Ų152126.4 Ų126.493%0.93379%0.789SS**  -174.1166.3121.1190000111.6
388A31.4Very low31Very low92 Ų92128.5 Ų128.576%0.7679%0.786SS**  trans-136.3-161.2-172.800000109.1
389P44.4Very low31Very low102 Ų102127.6 Ų127.666%0.66278%0.781SS**  cis-133.3-164.1-15.640.2-21.2000112.9
390T32.4Very low30.8Very low115 Ų115127.9 Ų127.971%0.70678%0.782SS**  trans62147.2157.950.20000118.7
391D31.9Very low30.7Very low162 Ų162130.5 Ų130.587%0.86679%0.793SS**  cis-154.7155.4-7.9-114-31000109.8
392G31.6Very low30.1Very low80 Ų80135.8 Ų135.883%0.82580%0.797SS**  trans148.6126.7172.500000114.4
393S30.4Very low30.3Very low112 Ų112133.9 Ų133.978%0.78380%0.795SS**  trans-125.1148.5-168.2-167.20000114.8
394C24.8Very low30.1Very low109 Ų109136.5 Ų136.574%0.73680%0.803SS**  trans51.5113.2161.2-71.70000120.9
395T31.6Very low30.3Very low146 Ų146136.5 Ų136.590%0.89680%0.803SS**  179158.1114.429.50000107.6
396S27.7Very low30.4Very low97 Ų97139.9 Ų139.968%0.67880%0.804SS**  cis167.1158.6-18.9-176.10000105.3
397L28.4Very low30.5Very low149 Ų149136.8 Ų136.878%0.7880%0.801SS**  trans59.8134-174.8-87.3108.2000116.1
398E29.9Very low30.5Very low159 Ų159137.4 Ų137.474%0.74379%0.793SS**  cis94.7130.220.1-151.4-166.7-148.800116.5
399L28.5Very low30.5Very low139 Ų139144.1 Ų144.173%0.72880%0.798SS**  trans80.3123154.9-124.470.5000122.9
400C26Very low29.7Very low116 Ų116142.4 Ų142.478%0.78480%0.799SS**  trans18.8142.5148.6-64.10000123.1
401T27.3Very low29.9Very low151 Ų151145.2 Ų145.293%0.92681%0.806SS**  trans-146.9158.2137.1-14.10000112.2
402R30.5Very low30.8Very low238 Ų238142.5 Ų142.590%0.89880%0.797SS**  trans-102.1148.6175-76.5-180173.2173.6-1.9110.7
403L33.8Very low30.7Very low164 Ų164146.3 Ų146.386%0.85979%0.793SS**  trans47.8126.7141.8-149.879.3000119.7
404S26.7Very low30.8Very low124 Ų124147 Ų14787%0.86779%0.793SS**  trans-157.1148.2155.7-88.50000113.1
405T32.5Very low31.2Very low131 Ų131149.3 Ų149.380%0.80480%0.798SS**  trans-124118.1178.246.30000111.9
406R31.7Very low31.1Very low229 Ų229147.4 Ų147.486%0.86480%0.797SS**  trans51.6103.9143.9-170.8-174.1-70.5-166.1-1.2119.4
407C29.2Very low31.2Very low106 Ų106154.2 Ų154.272%0.71681%0.808SS**  trans64.5155.4142.2-57.80000118.9
408H30.5Very low32.1Very low165 Ų165152 Ų15276%0.76480%0.803SS**  cis-155.3143.74-125.8-43.9000111.6
409R31Very low32.2Very low233 Ų233149.1 Ų149.188%0.87980%0.8SS**  trans55.384.7137.4-156.6-178.1-156.8164.54.8121.6
410G28.1Very low32.4Very low65 Ų65149.3 Ų149.367%0.6780%0.802SS**  85.3107105.300000123.8
411M36.4Very low32.8Very low175 Ų175151 Ų15186%0.86281%0.808SS**  trans75.1159.4136.9-110.534.97900119
412P49.6Very low33Very low104 Ų104147.6 Ų147.668%0.67580%0.803SS**  -142.5-171-101.641.9-21.4000117.3
413H29.9Very low33Very low161 Ų161146.3 Ų146.375%0.74581%0.805SS**  trans104.7151.4144.1-136.9-71.3000119.9
414T32.4Very low33Very low127 Ų127143 Ų14378%0.77980%0.795SS**  trans87.9130.1166.963.40000119.5
415D33Very low33.1Very low156 Ų156145.9 Ų145.983%0.83480%0.795SS**  trans-99.5149.8-178.9-44.1-106.8000111.9
416A30.4Very low33Very low106 Ų106144.3 Ų144.388%0.87679%0.789SS**  trans-168.7155.9146.600000113.4
417R29.1Very low33.1Very low240 Ų240138.6 Ų138.691%0.90679%0.785SS**  trans-141.2168.8170.5-124.6-163.5171-173.7-2.9105.9
418P48.3Very low33.2Very low104 Ų104142.8 Ų142.868%0.67579%0.793SS**  cis-131.9-162.6-23.733.1-11.3000112.4
419S31.9Very low33.5Very low98 Ų98141.9 Ų141.969%0.68580%0.799SS**  trans94.1104.9149.1-60.50000121.7
420D32Very low33.5Very low143 Ų143139.5 Ų139.577%0.76580%0.798SS**  46.9114.9128.9-45.1-22.3000122.5
421T35.8Very low33.4Very low151 Ų151144 Ų14493%0.92681%0.807SS**  167.6147.9103.336.40000112.5
422G30.8Very low33Very low79 Ų79140.3 Ų140.381%0.81480%0.798SS**  trans130.6115.1162.600000118.1
423F29.9Very low32.1Very low212 Ų212143.8 Ų143.893%0.9381%0.81SS**  trans-63.8163.2161.6-95-144.4000111.8
424S34.6Very low32.1Very low95 Ų95144.1 Ų144.166%0.66481%0.812SS**  cis-164.6160.4-11.4-100.90000107.7
425E28.5Very low31.8Very low184 Ų184147.7 Ų147.786%0.8681%0.811SS**  -169.817587.5-169.7161.898.600111.3
426S30.5Very low31.5Very low98 Ų98145.5 Ų145.569%0.68581%0.808SS**  trans-51.8159-17360.20000116.7
427S34.3Very low32.6Very low109 Ų109145.4 Ų145.476%0.76280%0.799SS**  cis-150.9153.732.2-60.30000114.2
428H30.4Very low32.6Very low194 Ų194140.3 Ų140.390%0.89879%0.79SS**  trans-114147.4170.2-82.6-89.6000112.2
429T37.2Very low31.6Very low145 Ų145146.2 Ų146.289%0.8980%0.799SS**  trans-112.2143.1156.848.50000109.3
430Q30.1Very low31.6Very low184 Ų184146.4 Ų146.486%0.8680%0.8SS**  trans-133.9138.6-174.5178.9179.4-100108.9
431D27Very low31.5Very low158 Ų158143.7 Ų143.785%0.84579%0.792SS**  trans-133112.7-176.4-140.5-29.6000110.2
432S28.4Very low31.2Very low99 Ų99144.4 Ų144.469%0.69279%0.785SS**  trans-178.6131.8176.7-79.30000110.5
433L28.8Very low31.2Very low176 Ų176145.8 Ų145.892%0.92177%0.774SS**  trans-159.9154.7145.2-140.673.6000113
434E30.6Very low31.1Very low169 Ų169144.1 Ų144.179%0.7977%0.766SS**  trans-110.3-164.1171.3-97.1-137.587.600112.1
435R26.6Very low30.8Very low201 Ų201144.2 Ų144.276%0.75877%0.767SS**  trans-102.3149-154.5141.5-161.9-67.1117.6-5.8114.4
436S27Very low30.8Very low110 Ų110142.2 Ų142.277%0.76976%0.762SS**  trans84.6159.7155.3-78.80000121
437P52.7Low30.8Very low104 Ų104143.5 Ų143.568%0.67576%0.761SS**  trans-142.4-170.8-13844-23.8000119.6
438D29.5Very low30.5Very low134 Ų134144.6 Ų144.672%0.71776%0.758SS**  trans109.9146.7147.7-63.5-23.5000122.6
439W27.8Very low30.4Very low228 Ų228142.3 Ų142.386%0.86475%0.748SS**  trans75.9103.5168.7-61.295.1000120.1
440S30.2Very low30Very low101 Ų101142.5 Ų142.571%0.70674%0.738SS**  87.7150.291.3720000115.4
441S30.2Very low29.9Very low87 Ų87143.7 Ų143.761%0.60874%0.737SS**  cis-162.416717.7-162.50000113.5
442E29.3Very low30Very low165 Ų165140.4 Ų140.477%0.77173%0.726SS**  trans68.4151.1148-86.1160107.600123.1
443N31.7Very low30Very low109 Ų109140 Ų14058%0.58373%0.729SS**  cis-163.7169-6.2-149-25.6000114.2
444F28.2Very low30Very low177 Ų177140.1 Ų140.178%0.77672%0.724SS**  trans62.5148165.1-70.5-69.1000120.4
445S27.8Very low29.8Very low96 Ų96138.3 Ų138.367%0.67172%0.72SS**  cis-150.8142.8-1-890000109.8
446N28.8Very low30Very low143 Ų143135.4 Ų135.477%0.76573%0.725SS**  53.2143.493.7-93.5-52.2000117.4
447L30.3Very low30.2Very low124 Ų124138.7 Ų138.765%0.64973%0.728SS**  cis-156-172.917-147.5132.1000112.4
448D28.4Very low29.5Very low133 Ų133139 Ų13971%0.71173%0.73SS**  trans74149.9161-66.2-63.9000120.4
449Q27.3Very low29.3Very low145 Ų145138.1 Ų138.168%0.67873%0.733SS**  cis-164.3162.8-25-178.548.629.800110.4
450E28.5Very low29.3Very low149 Ų149136.2 Ų136.270%0.69673%0.734SS**  trans-67.6156.3173.9-57168.155.500114.8
451Y28.4Very low29.3Very low210 Ų210140.2 Ų140.282%0.82474%0.741SS**  -176.5-165.6101.9-148.7-116.3000113.4
452S28.6Very low29.3Very low89 Ų89144.3 Ų144.362%0.62276%0.755SS**  trans-109.6169.1-159.9-58.90000116.1
453A30Very low29.2Very low90 Ų90147.6 Ų147.674%0.74476%0.761SS**  trans97.5120.6139.400000121.5
454E27.4Very low28.9Very low178 Ų178146.8 Ų146.883%0.83277%0.769SS**  trans84.9149.1131.3-148.5154.4133.900122.9
455N26.5Very low28.9Very low132 Ų132143.2 Ų143.271%0.70677%0.772SS**  trans-29.7137.1-177.2-57.2-56.2000118.8
456T30.7Very low29Very low140 Ų140146.9 Ų146.986%0.85978%0.781SS**  175.7135.8113-75.30000112.2
457H31.5Very low28.9Very low179 Ų179148.1 Ų148.183%0.82978%0.781SS**  trans-83.7154.2167.9-93.1-70.6000110.3
458P38.1Very low28.8Very low110 Ų110148.6 Ų148.671%0.71478%0.783SS**  cis-148.5-166.846.742.4-21.7000116.8
459C24.9Very low28.7Very low116 Ų116147.9 Ų147.978%0.78479%0.788SS**  trans84.7151.1164.1-66.70000120
460E29.2Very low28.7Very low188 Ų188148.5 Ų148.588%0.87980%0.795SS**  trans69.3131.5172.4-49.8-150.5124.500120.8
461E29.7Very low28.6Very low185 Ų185148 Ų14886%0.86479%0.793SS**  trans40.472.1162.8-56.5-157.8111.100121.3R463E461-R463 PolarHBondContact O-N 3.03Å
462L29.3Very low28.5Very low172 Ų172146.3 Ų146.390%0.90180%0.798SS**  40.377.2112.8-162.972.5000117.7
463R27.5Very low28.6Very low235 Ų235145.8 Ų145.889%0.88780%0.799SS**  trans-70.5147.1159.2179178.1-71.4125.30.7111E461E461-R463 PolarHBondContact O-N 3.03Å
464A26.8Very low28.3Very low92 Ų92146.8 Ų146.876%0.7680%0.8SS**  trans80.590164.400000117.9
465A26.8Very low28.4Very low102 Ų102142.9 Ų142.984%0.84380%0.798SS**  trans-100.6108.8137.200000109.1
466M29.9Very low28.5Very low173 Ų173146.7 Ų146.785%0.85281%0.808SS**  trans-78.1163.5141.9-98179.358.200107.7
467H26.7Very low28.3Very low168 Ų168148.6 Ų148.678%0.77881%0.807SS**  trans82.8154163.5-136.3-109000116.9
468I27.9Very low28.3Very low134 Ų134147.1 Ų147.169%0.68781%0.805SS**  trans72.8117169.1-48.7178.2000117.6
469C27.1Very low28.6Very low119 Ų119146.7 Ų146.780%0.80480%0.802SS**  177.9133128.5-96.70000108
470D26.5Very low28.6Very low157 Ų157150.5 Ų150.584%0.8481%0.808SS**  cis17.190.4-11.5-76.8-44.1000118.5
471E27.2Very low28.5Very low138 Ų138149.8 Ų149.865%0.64581%0.805SS**  -165.5139.9102.9-133-155.111000111.3A473E471-A473 WeakPolarHBondContact OE1-CA 3.48Å
472L27.2Very low29.8Very low176 Ų176145.2 Ų145.292%0.92179%0.791SS**  trans-169.7109.6153.8-118.2173.6000110.4
473A30.7Very low30.6Very low78 Ų78142 Ų14265%0.64578%0.781SS**  cis-154.7150.9-31.200000106.8E471E471-A473 WeakPolarHBondContact OE1-CA 3.48Å
474S23.4Very low30.6Very low110 Ų110140.4 Ų140.477%0.76978%0.78SS**  trans-142.285.6173.9176.70000113.7
475A29.5Very low30.7Very low96 Ų96140.2 Ų140.279%0.79378%0.779SS**  trans-171.5132.6144.500000112.8
476K27.4Very low30.8Very low212 Ų212143.9 Ų143.992%0.92278%0.779SS**  trans-160.295.8138-111.4176-173.9-1790110.6
477H27.4Very low30.9Very low180 Ų180140.7 Ų140.783%0.83377%0.769SS**  trans-72.6163.4151.6-84.4-74.2000108.6
478L30.2Very low31.2Very low149 Ų149141 Ų14178%0.7877%0.77SS**  cis-155.6-172.720.6-145.873.7000105.6
479P45.7Very low31.4Very low101 Ų101139.3 Ų139.366%0.65677%0.77SS**  cis-131.6-167-16.840.3-20.9000115
480E24.4Very low31.9Very low196 Ų196140.6 Ų140.692%0.91677%0.768SS**  trans77.2161.3160.6-67.6-120.674.400120.9
481E28Very low32.4Very low172 Ų172139.7 Ų139.780%0.80476%0.762SS**  trans-128.7-140.9-161.7-161-135.2155.500114.7
482P55.3Low32.5Very low90 Ų90142.4 Ų142.458%0.58477%0.772SS**  -89.3-177.1-129.444.4-33.5000114.2
483P46.3Very low32.7Very low105 Ų105137.6 Ų137.668%0.68276%0.757SS**  cis-154.5166.52443.9-21.8000122.1
484K27.6Very low32.9Very low201 Ų201143.6 Ų143.687%0.87476%0.763SS**  trans63.3156.3140.6-74.8171.2-177.9173.40123.6
485A28.6Very low33.1Very low88 Ų88146.7 Ų146.773%0.72777%0.768SS**  trans77.8121163.100000117.1
486Q28.9Very low33.2Very low179 Ų179147.7 Ų147.784%0.83676%0.757SS**  68.4137.877.8-68.6-169.7-1.900113.8
487T32.6Very low33.5Very low105 Ų105143.7 Ų143.764%0.64476%0.756SS**  cis-165.8162.4-1.511.30000110.9
488H34.2Very low34Very low176 Ų176146.2 Ų146.282%0.81576%0.758SS**  trans68.8155.4155.1-82.9-142000117.5
489S31.2Very low34.1Very low98 Ų98148 Ų14869%0.68576%0.76SS**  cis-171.2173-10.659.10000108.3
490L38Very low33.5Very low146 Ų146151 Ų15176%0.76477%0.77SS**  cis-164.2-173.4-2.7-128.7172.9000108.8
491I36.5Very low34.1Very low137 Ų137146.7 Ų146.770%0.70376%0.757SS**  trans63.8102.6157.1-67.9160.8000116.7
492K29.1Very low34.4Very low195 Ų195146.3 Ų146.385%0.84876%0.759SS**  88.8132.966.6175.9-174.9-179.5-170.30111.8
493A31Very low33.9Very low75 Ų75147.5 Ų147.562%0.6277%0.767SS**  cis-143.5152.117.300000113.4
494R35Very low33.1Very low205 Ų205148.4 Ų148.477%0.77477%0.771SS**  51.8134.2103.5-65.3177.8159.2168.6-2.8115.9M496R494-M496 HydrophobicContact CG-CE 4.39Å; R494-M496 HydrophobicContact CG-CG 4.33Å; R494-M496 HydrophobicContact CG-SD 4.48Å
495M29.1Very low33.6Very low175 Ų175145.5 Ų145.586%0.86277%0.77SS**  cis-137.7132.543.3-67.1-175.1-176.600112.7
496M31.5Very low34Very low116 Ų116148.1 Ų148.157%0.57177%0.77SS**  83.770.264.6-67.7-158-66.700116.6R494R494-M496 HydrophobicContact CG-CE 4.39Å; R494-M496 HydrophobicContact CG-CG 4.33Å; R494-M496 HydrophobicContact CG-SD 4.48Å
497S32.3Very low34.6Very low129 Ų129144.7 Ų144.790%0.90276%0.763SS**  trans-82.2121.2151.6-60.10000109.7
498R37.7Very low35.4Very low232 Ų232145.3 Ų145.388%0.87577%0.769SS**  trans-85.5114.8-179.4-73.5-179.4173.8173.2-2.4111.4
499K33.4Very low35.9Very low186 Ų186142.6 Ų142.681%0.80977%0.767SS**  trans-105.1134.4155.6-172.7172.5-178.5177.60107.9
500L33.7Very low36.1Very low165 Ų165143.9 Ų143.986%0.86477%0.773SS**  trans-128.7132.8175.7-122.5164000107.7
501T37.3Very low36.2Very low105 Ų105145.3 Ų145.364%0.64478%0.776SS**  trans-154.7115.1-178-54.30000108.2
502L34.3Very low36.2Very low164 Ų164144.9 Ų144.986%0.85978%0.782SS**  trans-160.9170.4153.5-125.375.2000106.3
503P44.1Very low36.2Very low116 Ų116141.3 Ų141.375%0.75378%0.78SS**  -111.7146.6-122.132.6-16.8000113.6
504V30.2Very low36.2Very low124 Ų124143.2 Ų143.275%0.75279%0.789SS**  trans-133.1122.5168.8178.20000108.8I506V504-I506 HydrophobicContact CG1-CG1 4.33Å
505T37.8Very low36.7Very low140 Ų140139.5 Ų139.586%0.85979%0.791SS**  trans-70.2126.8169.1-55.90000109.1
506I35.6Very low36.8Very low143 Ų143137.4 Ų137.473%0.73379%0.789SS**  trans-114.5130.2177.4-60.4-179.5000108.6V504V504-I506 HydrophobicContact CG1-CG1 4.33Å
507P42.6Very low36.8Very low107 Ų107137.1 Ų137.170%0.69580%0.798SS**PPolyproline II helixtrans-76165.5-177.131.5-36.3000113.3
508P48.5Very low36.8Very low117 Ų117137.9 Ų137.976%0.7680%0.797SS**PPolyproline II helixtrans-66.5157.2178.228.1-36.3000113.4
509P44.4Very low36.6Very low119 Ų119131.8 Ų131.877%0.77380%0.796SS**PPolyproline II helixtrans-71.6150.5-179.130.3-36000112.9
510P36.8Very low36.4Very low125 Ų125128.7 Ų128.781%0.81280%0.798SS**PPolyproline II helixtrans-76150.7-17931.7-35.7000113
511Q38.9Very low36.4Very low177 Ų177127 Ų12783%0.82780%0.799SS**PPolyproline II helixtrans-86148.6167.4-68.2-174.3-11.300111.1
512P37.8Very low36.1Very low127 Ų127125.8 Ų125.883%0.82581%0.808SS**PPolyproline II helixtrans-81122.417531.8-32.4000111.5
513C29.1Very low36Very low120 Ų120121.2 Ų121.281%0.81180%0.801SS**  trans-130.4153.5169.4-82.30000111
514S31.4Very low35.5Very low115 Ų115122 Ų12280%0.80480%0.804SS**  trans-69.2156.8-165.7-49.10000115.2
515P43.5Very low35.6Very low127 Ų127121.4 Ų121.483%0.82581%0.805SS**  trans-87134.3-177.733.8-33.7000113.3
516T32.8Very low35.3Very low132 Ų132119.1 Ų119.181%0.8180%0.8SS**  trans-138.6119.5162.7-56.30000111.5
517S31.8Very low35.3Very low109 Ų109120.4 Ų120.476%0.76281%0.807SS**  trans19.6123.4152.9-51.20000121.9
518V31.8Very low34.7Very low145 Ų145120.3 Ų120.388%0.87981%0.809SS**  trans-30.1143.4153.9-71.80000117.7
519A33.1Very low34.8Very low104 Ų104119.9 Ų119.986%0.8681%0.806SS**  trans-153.6133.7149.700000109.9
520S29.8Very low34.2Very low122 Ų122122.3 Ų122.385%0.85381%0.812SS**  trans-160.5100.4166.9-171.20000112.5
521S33.7Very low34Very low128 Ų128120.5 Ų120.590%0.89581%0.807SS**  trans161.2133154.841.90000107.6
522G30.3Very low34.1Very low80 Ų80117.9 Ų117.983%0.82581%0.806SS**  cis177.7176.5-10.200000109.2
523G31.2Very low34Very low69 Ų69117.1 Ų117.171%0.71180%0.803SS**  trans110.7123.2163.500000117.8
524T34.1Very low34.7Very low133 Ų133117.4 Ų117.482%0.81680%0.804SS**  trans54.196132.156.60000120.6
525S32.1Very low34.7Very low110 Ų110117.2 Ų117.277%0.76980%0.802SS**  68.2119.3118.167.30000122.5
526A31.4Very low34.9Very low92 Ų92116.8 Ų116.876%0.7680%0.8SS**  97.3162.5127.100000120.8
527I36.7Very low34.9Very low170 Ų170115.6 Ų115.687%0.87280%0.796SS**  trans65.7110.4169.9-5.2-177.5000119
528S29.1Very low36Very low106 Ų106115.9 Ų115.974%0.74180%0.796SS**  trans-73.1-171.4154.5-38.20000110.2
529P51.2Low36.8Very low108 Ų108113.9 Ų113.970%0.70179%0.786SS**  cis-138.4-178.8-4.141.7-23.4000116.1
530L31.1Very low36.7Very low170 Ų170117.3 Ų117.389%0.8979%0.788SS**  trans73.6155.1145.1-11465.6000122
531A33Very low36.9Very low87 Ų87122.2 Ų122.272%0.71979%0.788SS**  trans-82.3178179.400000111.3
532P41.7Very low37.5Very low122 Ų122121.4 Ų121.479%0.79278%0.779SS**  cis-143177.941.641.5-21.2000117.8
533S35.2Very low37.8Very low111 Ų111129 Ų12978%0.77678%0.783SS**  trans-80153.516752.50000113.2
534P43.8Very low37.8Very low126 Ų126129 Ų12982%0.81878%0.783SS**  -145169.1123.738.1-23.5000116.2
535S31.1Very low38Very low111 Ų111129.1 Ų129.178%0.77679%0.787SS**  trans-79.6-174.4170.6-41.20000111.8
536P48.3Very low38.1Very low118 Ų118134.5 Ų134.577%0.76679%0.79SS**  cis-140.6-170.55.441.9-20.2000117.9
537S32Very low38.2Very low106 Ų106137.7 Ų137.774%0.74179%0.793SS**  trans-51.1168.6171.952.20000116.9
538P56.4Low37.8Very low116 Ų116134.1 Ų134.175%0.75378%0.782SS**  cis-140.7-142.93443.1-20.1000112.9
539P48.2Very low37.7Very low102 Ų102139.4 Ų139.466%0.66279%0.793SS**  cis-138.9158.3-15.238.2-18.5000119.2
540I30Very low36.8Very low176 Ų176139.9 Ų139.990%0.90380%0.798SS**  trans65.9154.5142.6-65.6170.1000121.3
541R35.1Very low36.6Very low225 Ų225138.4 Ų138.485%0.84980%0.796SS**  trans-111.3163.5-167.6-133.4-175.9-160.3177.38.4111.3
542P46.6Very low36.3Very low111 Ų111145 Ų14572%0.72180%0.803SS**  -155.6151.28338.9-18.9000119.8
543R35Very low35.5Very low239 Ų239144 Ų14490%0.90280%0.799SS**  trans50.5120.1145.6-66.5-176.6174.4118-1.7122.8
544G32.2Very low35.6Very low70 Ų70144 Ų14472%0.72280%0.796SS**  trans-135.4159.7144.200000110
545P39.1Very low34.8Very low136 Ų136143.9 Ų143.988%0.88380%0.798SS**  trans-86.2164.2-165.533.1-35.9000116.4
546R33.2Very low34.6Very low223 Ų223144.3 Ų144.384%0.84280%0.801SS**  trans-99.4164.3168.9-66.1172.5167.3166.2-8.3109.4
547L34.3Very low33.8Very low159 Ų159144 Ų14483%0.83280%0.802SS**  174.8173.377.7-79.3170.7000107.3
548C28.3Very low33.6Very low95 Ų95144.9 Ų144.964%0.64281%0.807SS**  cis-170.7139.3-48.8-106.20000107.2
549F26.6Very low32.3Very low217 Ų217148.1 Ų148.195%0.95281%0.813SS**  trans-105.6136.8164.2-90.5-85.7000109.7
550S32.1Very low32.6Very low118 Ų118148.1 Ų148.183%0.82581%0.813SS**  trans-105.8113.6-174-59.60000111.5
551V27.5Very low33Very low139 Ų139145.7 Ų145.784%0.84281%0.808SS**  trans-85.1134161.8173.90000108.2
552W25.6Very low32.7Very low226 Ų226139.9 Ų139.986%0.85680%0.802SS**  trans-112126.9178.9-178.3-87.9000111.3
553S26.1Very low31.8Very low101 Ų101141.7 Ų141.771%0.70681%0.811SS**  trans-129.2123.1172-64.10000109.1
554P36.8Very low31.3Very low110 Ų110135.7 Ų135.771%0.71481%0.806SS**PPolyproline II helixtrans-87.8144.6174.933.7-32.2000112.1
555S26.5Very low31.1Very low124 Ų124137 Ų13787%0.86781%0.81SS**PPolyproline II helixtrans-94.2154.2174.3-61.60000112.3
556S27.5Very low30.6Very low119 Ų119139.2 Ų139.283%0.83281%0.809SS**PPolyproline II helixtrans-75.1147.1-179.8-43.80000114.1
557S30Very low30.3Very low113 Ų113134.2 Ų134.279%0.7981%0.808SS**  trans-178.2163.5133.3440000113.3
558S28.7Very low29.9Very low123 Ų123129.8 Ų129.886%0.8680%0.801SS**  trans78.1143.2165.876.50000121.1
559Q30.1Very low29.9Very low185 Ų185134.9 Ų134.986%0.86482%0.815SS**  trans-159.8169.6-178.9-118.7-170.3-11.200105.5
560P52.9Low30Very low102 Ų102129.4 Ų129.466%0.66280%0.804SS**  cis-116.1-123.7-22.829.7-6.1000108.1
561P38.4Very low30.5Very low124 Ų124130 Ų13081%0.80581%0.805SS**  cis-109.1164.718.440.8-32.7000115.4
562S28.4Very low30.6Very low103 Ų103128.4 Ų128.472%0.7280%0.8SS**  trans-91.5158.6173.8-440000112.1
563T27.9Very low30.6Very low149 Ų149126.8 Ų126.891%0.91480%0.802SS**  trans-134.7145148.4450000109.9
564S26.3Very low30.8Very low113 Ų113133.2 Ų133.279%0.7981%0.811SS**  trans-154.7123.1-167540000112.7
565A27.1Very low31Very low99 Ų99133.6 Ų133.682%0.81881%0.813SS**  trans-172.6123.3158.400000106.5
566Q28.4Very low31.2Very low181 Ų181139.3 Ų139.385%0.84682%0.816SS**  cis90.3110.420.2-157.3-179.72800115.3
567S27.4Very low31.2Very low119 Ų119137.9 Ų137.983%0.83281%0.811SS**  trans58144.8173.558.80000118.1
568G26.1Very low31.2Very low66 Ų66140.3 Ų140.368%0.6881%0.814SS**  cis122.4131-8.700000114
569Q26.9Very low31.3Very low202 Ų202145.3 Ų145.394%0.94481%0.814SS**  trans-164.1161.3166.7-109.6158.728.700111.3
570S29.6Very low31.2Very low101 Ų101141.2 Ų141.271%0.70681%0.812SS**  trans-104.1166.5173.6-179.10000109.7
571P42.8Very low30.1Very low130 Ų130140.8 Ų140.884%0.84482%0.817SS**  -136170.6109.136.2-25.3000115.1
572S28.5Very low29.8Very low106 Ų106146.3 Ų146.374%0.74182%0.822SS**  trans-82.2149.6-177.3144.80000113.1
573E26.5Very low29.9Very low193 Ų193153.5 Ų153.590%0.90283%0.833SS**  trans-155.3160.1133-125.9178.9-163.800114.1
574R30.5Very low30.3Very low235 Ų235157.3 Ų157.389%0.88783%0.833SS**  trans-162.6131-175-154.1-175.4-161.1175.97.1111.6
575P39.8Very low30.6Very low118 Ų118163.2 Ų163.277%0.76684%0.838SS**  trans-138.4137.3141.128.6-11.1000116
576R31.7Very low30.9Very low244 Ų244168.1 Ų168.192%0.92184%0.841SS**  trans4.6138.4135.6-91.1176.3-88.3154.5-7.3116.7
577A28Very low31.1Very low89 Ų89167.5 Ų167.574%0.73684%0.842SS**  cis174.7-171.436.700000112.7
578L29.8Very low31.3Very low165 Ų165165.9 Ų165.986%0.86484%0.836SS**  trans85168.8156.2-75.6167.9000120.4
579R30.3Very low31.6Very low228 Ų228174.3 Ų174.386%0.8685%0.847SS**  trans-120.9158.8-148.1-64.2176.4168.8124.4-8.6114.2
580A28.9Very low31.9Very low99 Ų99171.5 Ų171.582%0.81884%0.837SS**  trans86.1144.3142.500000122.3
581A28.4Very low32.2Very low93 Ų93172.9 Ų172.977%0.76984%0.841SS**  trans73117.6149.200000122.4
582R33.1Very low31.7Very low240 Ų240176.7 Ų176.791%0.90684%0.838SS**  trans31.5116.1142-56.3-176.7-174.8-167.43.2119.2
583R30.9Very low31.7Very low253 Ų253177 Ų17796%0.95584%0.841SS**  -176.2153.3107.8-97.2167-158.5-134.96.5112.3
584Y36.2Very low32Very low230 Ų230173.5 Ų173.590%0.90283%0.833SS**  trans-68.4138.9173-89.8-115.3000112.1
585R31.4Very low32.2Very low237 Ų237167.7 Ų167.789%0.89483%0.828SS**  trans-162.2109.8149.6-111.6168-169.3-178.92.9113.8
586K34.3Very low31.8Very low202 Ų202168.7 Ų168.788%0.87883%0.827SS**  52.788.3127.1-160.9179.3-172.4-179.80118.5
587L32.4Very low32Very low168 Ų168163 Ų16388%0.8882%0.822SS**  trans-96.9122.3146.6-77.999.7000107.7
588A31.7Very low32.2Very low84 Ų84166.4 Ų166.469%0.69483%0.825SS**  86.7110.570.600000111.1
589R32.7Very low32Very low243 Ų243163.7 Ų163.792%0.91782%0.82SS**  trans-77132.9178.2-50.2-178.1-162.3102.3-4.7108.9
590I33.7Very low31.7Very low144 Ų144158.2 Ų158.274%0.73882%0.816SS**  trans-103107.7162.8-61.6177.7000107
591V34.9Very low31.7Very low129 Ų129158.4 Ų158.478%0.78281%0.811SS**  trans-71.9133.7166.1178.10000107.5
592R32.5Very low31.6Very low211 Ų211160.7 Ų160.780%0.79682%0.816SS**  trans-106.7138.8163.1-87.9-176.2157.277.21.6108.5
593S27.7Very low31.5Very low113 Ų113155.5 Ų155.579%0.7981%0.811SS**  trans-66.6149.1-174.3-1660000111.9
594T33.2Very low31.6Very low119 Ų119150.2 Ų150.273%0.7381%0.807SS**  trans-72.2153.7161.346.50000110.8
595S33.9Very low31.4Very low112 Ų112142.8 Ų142.878%0.78380%0.8SS**  trans-155.5120.7163.557.60000107.5
596D33.1Very low31.1Very low140 Ų140142.6 Ų142.675%0.74980%0.799SS**PPolyproline II helixtrans-79.9147.4-163.9-50.7-78.1000113.5I598D596-I598 PolarHBondContact O-N 3.2Å
597P36Very low31Very low125 Ų125140.5 Ų140.581%0.81279%0.793SS**PPolyproline II helixtrans-75.8119.2173.530.5-32.5000110.8S599P597-S599 PolarHBondContact O-N 3.45Å
598I30.8Very low30.7Very low159 Ų159138.4 Ų138.482%0.81579%0.787SS**PPolyproline II helixtrans-68.4126175.7-61.3173.9000109.5D596D596-I598 PolarHBondContact O-N 3.2Å
599S26.1Very low30.4Very low108 Ų108140 Ų14076%0.75579%0.791SS**PPolyproline II helixtrans-90.5116.2178.2-165.80000111.1P597P597-S599 PolarHBondContact O-N 3.45Å
600C24.7Very low30Very low114 Ų114132.5 Ų132.577%0.7778%0.781SS**  trans-96.795.6178.5-68.90000111.3
601S28Very low29.6Very low103 Ų103131.2 Ų131.272%0.7278%0.784SS**  trans-86.8106.7173.2-65.80000111.5T603S601-T603 PolarHBondContact O-N 3.04Å
602T27.1Very low29.2Very low140 Ų140130.9 Ų130.986%0.85978%0.783SS**  trans-80.591.1174.734.30000111.9
603T30.3Very low29Very low132 Ų132127.1 Ų127.181%0.8178%0.783SS**  trans-80.3115.417250.20000111.7S601S601-T603 PolarHBondContact O-N 3.04Å
604T32.8Very low29Very low142 Ų142124.6 Ų124.687%0.87178%0.775SS**  trans-59131.3173.8-490000111.7
605G31.4Very low28.7Very low73 Ų73126.5 Ų126.575%0.75378%0.781SS**  trans-82150.2177.500000113.9
606R26.4Very low28.6Very low234 Ų234128.8 Ų128.888%0.88378%0.784SS**  trans-141.4155.8162.2-163.5171.7-176.4-1710.8110
607Q31.3Very low29.5Very low158 Ų158127.7 Ų127.774%0.73879%0.785SS**  trans-65.7170.4-178.6-53.6119.7-33.400112.1
608T26.5Very low29.3Very low123 Ų123126.2 Ų126.276%0.75578%0.783SS**  cis-164.6170.327.9-280000112.6
609C25.1Very low29.4Very low117 Ų117123 Ų12379%0.79178%0.781SS**  trans88.9119.5148-70.30000122.7
610A24.6Very low29.7Very low86 Ų86123.1 Ų123.171%0.71179%0.788SS**  trans81.6113.5131.600000122.5
611C25.2Very low29.8Very low118 Ų118120.9 Ų120.980%0.79778%0.784SS**  54.2143.1120.4-55.40000120.6
612T27.4Very low29.8Very low122 Ų122122 Ų12275%0.74879%0.792SS**  cis-166.5158.610-2.70000110.7
613T28.4Very low29.8Very low131 Ų131118.9 Ų118.980%0.80478%0.781SS**  trans55.2139.1148.4-47.80000119.6
614G26.6Very low29.8Very low60 Ų60124.1 Ų124.162%0.61979%0.785SS**  cis156.6178.2-0.700000111.7
615N28.2Very low29.5Very low160 Ų160123.9 Ų123.986%0.85678%0.784SS**  trans82.2116.4169.2-55.3-13.7000120.4
616N31.8Very low29.1Very low159 Ų159125.6 Ų125.685%0.8579%0.785SS**  trans-88.3-173.4149.7-81.7-43000108.5
617P51.4Low30Very low117 Ų117119.4 Ų119.476%0.7678%0.775SS**  cis-147.4-170.714.845-24.6000118.3
618A30.9Very low29.7Very low95 Ų95119.6 Ų119.679%0.78578%0.775SS**  trans74.8154.1147.200000120
619A33.5Very low29.7Very low92 Ų92121.8 Ų121.876%0.7678%0.777SS**  cis-169.5166.4-20.500000112.6
620A32.1Very low29.6Very low110 Ų110123.8 Ų123.891%0.90978%0.775SS**  trans64.1156164.600000118.4
621G27.3Very low30.2Very low67 Ų67124.7 Ų124.769%0.69177%0.773SS**  cis-154.8155.2-600000109.7
622S27.1Very low30.4Very low125 Ų125128.1 Ų128.187%0.87477%0.77SS**  73.1128.373.7-166.50000114.4
623A28.7Very low30.4Very low76 Ų76127.8 Ų127.863%0.62876%0.763SS**  cis-172.9155.9-12.500000113.2
624R28.6Very low30.3Very low241 Ų241127.5 Ų127.591%0.90976%0.761SS**  trans65.7169.7159.5-62.2165.6178.3176.4-1.5116.4
625T27.5Very low30.4Very low137 Ų137129.8 Ų129.884%0.8477%0.768SS**  cis-134.8171.510.447.50000113.9
626S23Very low30.4Very low110 Ų110127 Ų12777%0.76976%0.761SS**  trans-101-170.3168.1-132.20000110.3
627P45.6Very low30.1Very low104 Ų104127.8 Ų127.868%0.67576%0.759SS**  cis-139.4-174.4-16.635.8-14.5000115.9
628E24.5Very low29Very low161 Ų161127.6 Ų127.675%0.75276%0.756SS**  trans87.7155.2137.9-125.3-178.685.800124.6
629Q26.7Very low29Very low169 Ų169129.8 Ų129.879%0.7976%0.759SS**  trans92.8120.7156.3-69.1171.221.200122.7
630E23.7Very low28.7Very low160 Ų160129 Ų12975%0.74876%0.76SS**  trans-74.5177.5155.5-122.2-14989.700109.8
631P37.3Very low28.4Very low104 Ų104128.8 Ų128.868%0.67576%0.758SS**  cis-145.3173.426.245.1-25.4000119.2
632R29.3Very low28.5Very low191 Ų191135 Ų13572%0.72177%0.766SS**  trans47.5137138.2-80.9177.6168.2-97.52.8126.3
633D25.6Very low29.1Very low115 Ų115134.7 Ų134.762%0.61576%0.761SS**  91.6123.6127.3-75.5-31000124.5
634V28Very low28.9Very low125 Ų125134.7 Ų134.776%0.75877%0.769SS**  97.8115128.6165.50000123.6
635S28Very low28.8Very low108 Ų108132.7 Ų132.776%0.75577%0.769SS**  trans90.7142.3140-83.50000126.4
636S28.3Very low28.7Very low101 Ų101132.4 Ų132.471%0.70677%0.767SS**  trans63.5128.7156.4-65.10000119.3
637E25.5Very low28.9Very low176 Ų176131.4 Ų131.482%0.82277%0.765SS**  68.3132.263.3-75.9-153.3113.500113.6
638V28.6Very low27.9Very low113 Ų113131.9 Ų131.969%0.68577%0.766SS**  cis-157.9163.28.985.60000112.8
639V30Very low28.1Very low141 Ų141130 Ų13086%0.85577%0.766SS**  trans61.8129163.6170.90000119.6
640G26.6Very low28.1Very low75 Ų75130.5 Ų130.577%0.77377%0.765SS**  trans176.1122165.700000114.5
641A27.5Very low28.3Very low106 Ų106130.3 Ų130.388%0.87676%0.764SS**  trans-62.7155.3-16600000118.8
642K29.5Very low28Very low196 Ų196132.3 Ų132.385%0.85277%0.765SS**  trans-55.3170.8157.4-97.9-176.8178.6176.70112.9
643P37.9Very low28Very low119 Ų119130.8 Ų130.877%0.77377%0.766SS**  cis-138.9171.8-20.237.3-20000115.4
644G25.5Very low28.2Very low77 Ų77133.3 Ų133.379%0.79477%0.774SS**  trans94.8109.8141.300000117.9
645H26.9Very low28.2Very low198 Ų198135.2 Ų135.292%0.91778%0.775SS**  trans-92.6136.2167.7-96.7-88.8000112.2
646V25.2Very low28.2Very low131 Ų131137.8 Ų137.879%0.79477%0.772SS**  trans-130.7139.7162.9174.90000107.9
647A25.9Very low28.1Very low89 Ų89140.4 Ų140.474%0.73677%0.773SS**  trans-120.4114.5163.300000107.1
648V25.7Very low28.2Very low115 Ų115135.2 Ų135.270%0.69777%0.767SS**  67.181.477.41760000109.5
649T28.7Very low28.2Very low120 Ų120141.7 Ų141.774%0.73678%0.779SS**  62.9140.990.466.60000113.7
650K27.5Very low28.1Very low180 Ų180144.5 Ų144.578%0.78378%0.78SS**  cis-133.1-172.833.3-59.7173.1-179.4171.70110.6
651Q27.4Very low28.3Very low156 Ų156146.4 Ų146.473%0.72978%0.777SS**  cis-155.7174.318.8-157.8153.5-13.100113.9
652Q30.8Very low28.3Very low146 Ų146148.6 Ų148.668%0.68277%0.773SS**  trans-45.4165.8-172.5-67.1143.9-68.700117.4
653Q29.4Very low28.7Very low159 Ų159146 Ų14674%0.74377%0.767SS**  cis-158.2136.732-161.5156.4-19.300115.6
654Q29.3Very low28.2Very low168 Ų168147.8 Ų147.879%0.78577%0.765SS**  trans21147143.8-103.7155.9-1900121.8
655Q28.2Very low28.7Very low166 Ų166151.5 Ų151.578%0.77677%0.766SS**  cis-169.5152.746.9178.9161.6-13.500113.8
656K28.6Very low28.6Very low162 Ų162150.6 Ų150.670%0.70476%0.759SS**  trans15.3150.5154-102.4-179.4165.7-130.40121.1
657E25.4Very low28.8Very low155 Ų155149.9 Ų149.972%0.72476%0.758SS**  cis-170.3173.411.1-162.7159.2-173.300111
658G27Very low28.7Very low68 Ų68156.2 Ų156.270%0.70176%0.762SS**  123.79.712900000125.6
659R29.8Very low28.8Very low248 Ų248156.3 Ų156.394%0.93677%0.768SS**  trans28.8112.2154.7-178.2-161-173.1-179.24120
660K26.3Very low28.8Very low201 Ų201158 Ų15887%0.87477%0.772SS**  -165.9146.4124.3-155.6172.2174.8-171.10114.9
661V31.9Very low28.9Very low115 Ų115158 Ų15870%0.69777%0.774SS**  trans-52.8136.6169.8173.20000114.2
662D26.7Very low29Very low151 Ų151156.4 Ų156.481%0.80778%0.775SS**  -164.3168.1106.5-128.4-51.6000115
663I38.4Very low28.9Very low141 Ų141157.8 Ų157.872%0.72378%0.782SS**  trans-96.9128.3-174.1-62.9172.2000111L665I663-L665 HydrophobicContact CG2-CD1 3.74Å
664H27.8Very low29Very low158 Ų158156 Ų15673%0.73178%0.783SS**  trans-128.7107.5171179.9-98.8000112
665L36.3Very low28.9Very low154 Ų154153.3 Ų153.381%0.80678%0.784SS**  trans-80.6124.3166.2-79.976.5000109.8I663I663-L665 HydrophobicContact CG2-CD1 3.74Å
666K24.7Very low29.1Very low179 Ų179155 Ų15578%0.77879%0.791SS**  trans-149.5138.9150.5-150.6154.2-172.51700111.6
667P29.3Very low29.2Very low117 Ų117155.9 Ų155.976%0.7680%0.797SS**  trans-103.8156.4-163.738.7-35.6000115.5
668R24.6Very low29.5Very low221 Ų221157.8 Ų157.883%0.83480%0.798SS**  trans57.490.8141.4-163-180-158.5158.84.1117.9
669S26.4Very low30.1Very low118 Ų118160 Ų16083%0.82580%0.801SS**  trans-74.2145.2147.149.40000110.4
670L28.6Very low30.6Very low155 Ų155155.6 Ų155.681%0.81279%0.79SS**  trans-83.6138.4171-70.9161.8000109.1
671H29.3Very low31.6Very low180 Ų180151.9 Ų151.983%0.83379%0.789SS**  trans-118.4125.2166.8-157.869.7000109.3
672T30Very low32.5Very low122 Ų122152.8 Ų152.875%0.74879%0.79SS**PPolyproline II helixtrans-71.8130.5-175.1-53.10000110.1
673H29Very low33.6Very low176 Ų176149.9 Ų149.982%0.81579%0.786SS**PPolyproline II helixtrans-68.7133.8169.5-91-96.6000110.1
674P30.6Very low34.5Very low120 Ų120147.3 Ų147.378%0.77977%0.774SS**PPolyproline II helixtrans-63.3141.7167.328-33.4000110
675S27.9Very low36.3Very low113 Ų113143.1 Ų143.179%0.7976%0.757SS**PPolyproline II helixtrans-69.2149.8179.8460000112.2E677S675-E677 PolarHBondContact O-N 3.37Å
676H32.1Very low37.7Very low200 Ų200142.3 Ų142.393%0.92675%0.747SS**PPolyproline II helixtrans-54.3119.3172.9-92-95.6000111.7
677E30.7Very low39.9Very low181 Ų181139.5 Ų139.585%0.84674%0.738SS**PPolyproline II helixtrans-73.1136.4170.9-162.7160.2-143.600110S675S675-E677 PolarHBondContact O-N 3.37Å
678R32.2Very low41.7Very low195 Ų195137.2 Ų137.274%0.73671%0.714SS**PPolyproline II helixtrans-82.1134.8-177.8173.4-175.8-92.3140.1-11109H680R678-H680 PolarHBondContact O-CD2 3.28Å; R678-H680 PolarHBondContact O-N 2.91Å; R678-H680 VanDerWaalsContact O-N 3.14Å
679P38.7Very low43.9Very low116 Ų116132.2 Ų132.275%0.75370%0.699SS**PPolyproline II helixtrans-65.1117.3173.126.8-33.5000110.1S681P679-S681 VanDerWaalsContact C-N 3.35Å; P679-S681 PolarHBondContact O-N 3.42Å
680H40.6Very low46.2Very low154 Ų154131 Ų13171%0.71368%0.683SS**  trans-73.187.7174.3-77.8-100.4000110R678 L682R678-H680 PolarHBondContact O-CD2 3.28Å; R678-H680 PolarHBondContact O-N 2.91Å; R678-H680 VanDerWaalsContact O-N 3.14Å; H680-L682 PolarHBondContact O-N 2.95Å
681S47Very low48.5Very low123 Ų123127.1 Ų127.186%0.8667%0.666SS**  trans-77.548.8173-1740000112.3P679 A683P679-S681 VanDerWaalsContact C-N 3.35Å; P679-S681 PolarHBondContact O-N 3.42Å; S681-A683 PolarHBondContact O-N 3.44Å
682L50.7Low50.6Low135 Ų135121.8 Ų121.871%0.70764%0.64SS**  trans-72.6118.1152.9-82166000106.3H680 D684H680-L682 PolarHBondContact O-N 2.95Å; L682-D684 PolarHBondContact O-N 3.18Å
683A50.3Low52.7Low89 Ų89120.4 Ų120.474%0.73663%0.627SS**  trans-56.7128.6163.200000107S681 L685S681-A683 PolarHBondContact O-N 3.44Å; A683-L685 PolarHBondContact O-N 3.47Å
684D58.2Low55.1Low87 Ų87116.8 Ų116.847%0.46561%0.613SS.*  trans-54.3109.2-161.1-179.610.4000111.6L682 K686 M687 Y688L682-D684 PolarHBondContact O-N 3.18Å; D684-K686 PolarHBondContact O-N 2.93Å; D684-K686 VanDerWaalsContact O-N 3.13Å; D684-K686 WeakPolarHBondContact OD1-CB 3.3Å; D684-K686 PolarHBondContact OD1-N 2.79Å; D684-M687 HydrophobicContact CB-CB 3.91Å; D684-M687 WeakPolarHBondContact O-CA 3.33Å; D684-M687 WeakPolarHBondContact O-CB 3.44Å; D684-M687 PolarHBondContact O-N 3.23Å; D684-Y688 PolarHBondContact O-N 3.47Å
685L64.3Low57.3Low70 Ų70113.7 Ų113.737%0.36659%0.592SS.*Hα-helixtrans-60.2-25.7-177.5-178.662.2000111A683 K689 I733A683-L685 PolarHBondContact O-N 3.47Å; L685-K689 HydrophobicContact CG-CD 4.39Å; L685-K689 WeakPolarHBondContact O-CB 3.46Å; L685-K689 VanDerWaalsContact O-CG 3.24Å; L685-K689 WeakPolarHBondContact O-CG 3.29Å; L685-K689 PolarHBondContact O-N 3.36Å; L685-K689 VanDerWaalsContact O-N 3.08Å; L685-I733 HydrophobicContact CD1-CD1 4.11Å
686K66.5Low59.5Low138 Ų138110.8 Ų110.860%0.658%0.575SS**Hα-helixtrans-68-51.9170.6-171.2-172.2173.3-171.60110.8D684 Y688 K689 D690D684-K686 PolarHBondContact O-N 2.93Å; D684-K686 VanDerWaalsContact O-N 3.13Å; D684-K686 WeakPolarHBondContact OD1-CB 3.3Å; D684-K686 PolarHBondContact OD1-N 2.79Å; K686-Y688 VanDerWaalsContact C-N 3.31Å; K686-Y688 PolarHBondContact O-N 2.62Å; K686-K689 PolarHBondContact O-N 2.85Å; K686-K689 VanDerWaalsContact O-N 3.1Å; K686-D690 WeakPolarHBondContact O-CB 3.28Å; K686-D690 VanDerWaalsContact O-CG 3.27Å; K686-D690 PolarHBondContact O-N 2.79Å
687M70.2Confident61.4Low119 Ų119106.8 Ų106.859%0.58656%0.555SS**Hα-helixtrans-59.5-37.3177.5-169.8176.87000113D684 T691D684-M687 HydrophobicContact CB-CB 3.91Å; D684-M687 WeakPolarHBondContact O-CA 3.33Å; D684-M687 WeakPolarHBondContact O-CB 3.44Å; D684-M687 PolarHBondContact O-N 3.23Å; M687-T691 VanDerWaalsContact O-CB 3.26Å; M687-T691 WeakPolarHBondContact O-CB 3.35Å; M687-T691 PolarHBondContact O-N 2.83Å; M687-T691 PolarHBondContact O-OG1 2.69Å
688Y67.1Low63.3Low69 Ų69104.6 Ų104.627%0.27154%0.543SS..Hα-helixtrans-65.1-47.7171.9-179.8-89.8000111.5D684 K686 D690 T691 K692 D725 M729D684-Y688 PolarHBondContact O-N 3.47Å; K686-Y688 VanDerWaalsContact C-N 3.31Å; K686-Y688 PolarHBondContact O-N 2.62Å; Y688-D690 PolarHBondContact O-N 3.11Å; Y688-T691 PolarHBondContact O-N 2.84Å; Y688-K692 HydrophobicContact CE1-CB 4.45Å; Y688-K692 HydrophobicContact CE1-CD 4.15Å; Y688-K692 WeakPolarHBondContact O-CB 3.2Å; Y688-K692 PolarHBondContact O-N 3.15Å; Y688-D725 PolarHBondContact OH-OD2 3.46Å; Y688-M729 HydrophobicContact CD1-CE 4.36Å; Y688-M729 HydrophobicContact CD1-SD 3.67Å; Y688-M729 HydrophobicContact CD2-CE 3.87Å; Y688-M729 HydrophobicContact CD2-SD 4.25Å; Y688-M729 HydrophobicContact CE1-CE 3.91Å; Y688-M729 HydrophobicContact CE1-SD 3.32Å; Y688-M729 WeakPolarHBondContact CE1-SD 3.43Å; Y688-M729 HydrophobicContact CE2-CE 3.33Å; Y688-M729 HydrophobicContact CE2-SD 3.93Å; Y688-M729 HydrophobicContact CG-CE 4.35Å; Y688-M729 HydrophobicContact CG-SD 4.13Å
689K71.4Confident65.2Low117 Ų11796.8 Ų96.851%0.50952%0.515SS..Hα-helixtrans-61.7-42.8177.5-76.3176.1178.3-174.20112.6L685 K686 T691 K692 I693L685-K689 HydrophobicContact CG-CD 4.39Å; L685-K689 WeakPolarHBondContact O-CB 3.46Å; L685-K689 VanDerWaalsContact O-CG 3.24Å; L685-K689 WeakPolarHBondContact O-CG 3.29Å; L685-K689 PolarHBondContact O-N 3.36Å; L685-K689 VanDerWaalsContact O-N 3.08Å; K686-K689 PolarHBondContact O-N 2.85Å; K686-K689 VanDerWaalsContact O-N 3.1Å; K689-T691 VanDerWaalsContact C-N 3.32Å; K689-T691 PolarHBondContact O-N 3.46Å; K689-K692 PolarHBondContact O-N 2.93Å; K689-I693 VanDerWaalsContact O-CG1 3.3Å; K689-I693 WeakPolarHBondContact O-CG1 3.23Å; K689-I693 PolarHBondContact O-N 3.16Å
690D74.3Confident66.7Low91 Ų9198 Ų9849%0.48751%0.511SS..Hα-helixtrans-63.3-39.8177-69.2-20000110.8K686 Y688 L694K686-D690 WeakPolarHBondContact O-CB 3.28Å; K686-D690 VanDerWaalsContact O-CG 3.27Å; K686-D690 PolarHBondContact O-N 2.79Å; Y688-D690 PolarHBondContact O-N 3.11Å; D690-L694 WeakPolarHBondContact O-CB 3.39Å; D690-L694 PolarHBondContact O-N 3.09Å
691T77.4Confident67.7Low74 Ų7497 Ų9745%0.45451%0.507SS..Hα-helixtrans-69.3-41.7175.6-59.70000111.6M687 Y688 K689 I693 L694 V695M687-T691 VanDerWaalsContact O-CB 3.26Å; M687-T691 WeakPolarHBondContact O-CB 3.35Å; M687-T691 PolarHBondContact O-N 2.83Å; M687-T691 PolarHBondContact O-OG1 2.69Å; Y688-T691 PolarHBondContact O-N 2.84Å; K689-T691 VanDerWaalsContact C-N 3.32Å; K689-T691 PolarHBondContact O-N 3.46Å; T691-I693 PolarHBondContact O-N 2.83Å; T691-L694 WeakPolarHBondContact O-CB 3.44Å; T691-L694 PolarHBondContact O-N 2.78Å; T691-V695 HydrophobicContact CG2-CG2 4.28Å; T691-V695 WeakPolarHBondContact O-CG2 3.49Å; T691-V695 PolarHBondContact O-N 3.39Å
692K72.7Confident68.4Low68 Ų6893.2 Ų93.230%0.29648%0.48SS..Hα-helixtrans-60-44.1175.2179.7174.6174.4-179.10111.6Y688 K689 L694 V695 A696 E726Y688-K692 HydrophobicContact CE1-CB 4.45Å; Y688-K692 HydrophobicContact CE1-CD 4.15Å; Y688-K692 WeakPolarHBondContact O-CB 3.2Å; Y688-K692 PolarHBondContact O-N 3.15Å; K689-K692 PolarHBondContact O-N 2.93Å; K692-L694 VanDerWaalsContact C-N 3.33Å; K692-L694 PolarHBondContact O-N 3.08Å; K692-V695 PolarHBondContact O-N 3.3Å; K692-A696 VanDerWaalsContact O-CB 3.28Å; K692-A696 WeakPolarHBondContact O-CB 3.33Å; K692-A696 PolarHBondContact O-N 3.49Å; K692-E726 VanDerWaalsContact CE-OE2 3.31Å; K692-E726 WeakPolarHBondContact CE-OE2 3.36Å; K692-E726 IonicContact NZ-OE1 3.16Å; K692-E726 PolarHBondContact NZ-OE1 2.95Å; K692-E726 IonicContact NZ-OE2 3.51Å; K692-E726 PolarHBondContact NZ-OE2 2.84Å
693I75.8Confident68.7Low94 Ų9490 Ų9048%0.48247%0.469SS..Hα-helixtrans-63.2-39.3175.2-68.2164.1000111.2K689 T691 K697K689-I693 VanDerWaalsContact O-CG1 3.3Å; K689-I693 WeakPolarHBondContact O-CG1 3.23Å; K689-I693 PolarHBondContact O-N 3.16Å; T691-I693 PolarHBondContact O-N 2.83Å; I693-K697 HydrophobicContact CG2-CD 4.42Å; I693-K697 WeakPolarHBondContact O-CG 3.41Å; I693-K697 PolarHBondContact O-N 3.33Å; I693-K697 VanDerWaalsContact O-N 3.17Å
694L79.4Confident68.9Low99 Ų9990.5 Ų90.552%0.51847%0.467SS..Hα-helixtrans-66.8-46.9177.6-17562.8000111.9D690 T691 K692 K697 F698D690-L694 WeakPolarHBondContact O-CB 3.39Å; D690-L694 PolarHBondContact O-N 3.09Å; T691-L694 WeakPolarHBondContact O-CB 3.44Å; T691-L694 PolarHBondContact O-N 2.78Å; K692-L694 VanDerWaalsContact C-N 3.33Å; K692-L694 PolarHBondContact O-N 3.08Å; L694-K697 PolarHBondContact O-N 3.34Å; L694-F698 HydrophobicContact CD1-CD2 4.12Å; L694-F698 HydrophobicContact CD1-CE2 3.71Å; L694-F698 HydrophobicContact CD2-CE2 4.44Å; L694-F698 HydrophobicContact CG-CD2 4.03Å; L694-F698 HydrophobicContact CG-CE2 3.86Å; L694-F698 VanDerWaalsContact O-CD2 3.29Å; L694-F698 WeakPolarHBondContact O-CD2 3.49Å; L694-F698 PolarHBondContact O-N 3.46Å
695V76.3Confident68.9Low55 Ų5589.2 Ų89.233%0.33347%0.465SS..Hα-helixtrans-65.5-42.6179172.90000111.3T691 K692 K697 F698 L699 I722T691-V695 HydrophobicContact CG2-CG2 4.28Å; T691-V695 WeakPolarHBondContact O-CG2 3.49Å; T691-V695 PolarHBondContact O-N 3.39Å; K692-V695 PolarHBondContact O-N 3.3Å; V695-K697 VanDerWaalsContact C-N 3.34Å; V695-K697 PolarHBondContact O-N 2.97Å; V695-F698 PolarHBondContact O-N 2.86Å; V695-L699 HydrophobicContact CG1-CD1 3.91Å; V695-L699 HydrophobicContact CG1-CG 4.45Å; V695-L699 WeakPolarHBondContact O-CG 3.45Å; V695-L699 PolarHBondContact O-N 3.44Å; V695-I722 HydrophobicContact CG1-CD1 3.57Å
696A73.6Confident68.6Low52 Ų5292.1 Ų92.143%0.4349%0.491SS..Hα-helixtrans-56.3-48174.600000111.5K692 F698 L699 E700K692-A696 VanDerWaalsContact O-CB 3.28Å; K692-A696 WeakPolarHBondContact O-CB 3.33Å; K692-A696 PolarHBondContact O-N 3.49Å; A696-F698 PolarHBondContact O-N 3.25Å; A696-L699 PolarHBondContact O-N 3.27Å; A696-E700 WeakPolarHBondContact O-CB 3.39Å; A696-E700 PolarHBondContact O-N 3.24Å
697K71.4Confident68.7Low116 Ų11688.2 Ų88.250%0.50448%0.476SS..Hα-helixtrans-62.7-36.7176.8-76.3178.9176-1780113.6I693 L694 V695 H701I693-K697 HydrophobicContact CG2-CD 4.42Å; I693-K697 WeakPolarHBondContact O-CG 3.41Å; I693-K697 PolarHBondContact O-N 3.33Å; I693-K697 VanDerWaalsContact O-N 3.17Å; L694-K697 PolarHBondContact O-N 3.34Å; V695-K697 VanDerWaalsContact C-N 3.34Å; V695-K697 PolarHBondContact O-N 2.97Å; K697-H701 WeakPolarHBondContact O-CB 3.31Å; K697-H701 PolarHBondContact O-CD2 3.41Å; K697-H701 PolarHBondContact O-N 2.85Å
698F72.1Confident68.8Low136 Ų13685.8 Ų85.860%0.59647%0.469SS*.Hα-helixtrans-64.9-45.2175-88.3-66.2000111.9L694 V695 A696 H701 S702L694-F698 HydrophobicContact CD1-CD2 4.12Å; L694-F698 HydrophobicContact CD1-CE2 3.71Å; L694-F698 HydrophobicContact CD2-CE2 4.44Å; L694-F698 HydrophobicContact CG-CD2 4.03Å; L694-F698 HydrophobicContact CG-CE2 3.86Å; L694-F698 VanDerWaalsContact O-CD2 3.29Å; L694-F698 WeakPolarHBondContact O-CD2 3.49Å; L694-F698 PolarHBondContact O-N 3.46Å; V695-F698 PolarHBondContact O-N 2.86Å; A696-F698 PolarHBondContact O-N 3.25Å; F698-H701 PolarHBondContact O-N 3.41Å; F698-S702 WeakPolarHBondContact O-CB 3.45Å; F698-S702 PolarHBondContact O-N 3.05Å; F698-S702 PolarHBondContact O-OG 3.41Å
699L70.6Confident68.7Low30 Ų3087.2 Ų87.216%0.15749%0.487CS..Hα-helixtrans-66.1-38178.2-64.5166.6000112.2V695 A696 S703 V715 I718 I722V695-L699 HydrophobicContact CG1-CD1 3.91Å; V695-L699 HydrophobicContact CG1-CG 4.45Å; V695-L699 WeakPolarHBondContact O-CG 3.45Å; V695-L699 PolarHBondContact O-N 3.44Å; A696-L699 PolarHBondContact O-N 3.27Å; L699-S703 PolarHBondContact O-N 3.38Å; L699-S703 VanDerWaalsContact O-N 3.1Å; L699-S703 PolarHBondContact O-OG 3.32Å; L699-V715 HydrophobicContact CD2-CG1 4.04Å; L699-I718 HydrophobicContact CD1-CG2 4.25Å; L699-I718 HydrophobicContact CD2-CG2 4.02Å; L699-I722 HydrophobicContact CD1-CD1 3.61Å
700E70.9Confident68.5Low142 Ų14287.4 Ų87.466%0.66449%0.49SS*.Hα-helixtrans-64.4-46.8174.6-171.9175.5-16000111.6A696 S703A696-E700 WeakPolarHBondContact O-CB 3.39Å; A696-E700 PolarHBondContact O-N 3.24Å; E700-S703 PolarHBondContact O-N 2.97Å
701H62.1Low68.5Low133 Ų13386.1 Ų86.162%0.61649%0.485SS*.Hα-helixtrans-61.8-45.4173.9-84.3-60.3000112.6K697 F698 S703 S704K697-H701 WeakPolarHBondContact O-CB 3.31Å; K697-H701 PolarHBondContact O-CD2 3.41Å; K697-H701 PolarHBondContact O-N 2.85Å; F698-H701 PolarHBondContact O-N 3.41Å; H701-S703 PolarHBondContact O-N 3.37Å; H701-S704 PolarHBondContact O-N 3.5Å; H701-S704 VanDerWaalsContact O-N 3.08Å; H701-S704 PolarHBondContact O-OG 3.45Å
702S60.5Low68.3Low43 Ų4385.3 Ų85.330%0.30148%0.476SS..Hα-helixtrans-58.5-35.2177.3-73.40000112.8F698 S704 S705 L707F698-S702 WeakPolarHBondContact O-CB 3.45Å; F698-S702 PolarHBondContact O-N 3.05Å; F698-S702 PolarHBondContact O-OG 3.41Å; S702-S704 PolarHBondContact O-N 3.43Å; S702-S705 PolarHBondContact O-N 2.92Å; S702-S705 PolarHBondContact O-OG 2.97Å; S702-L707 VanDerWaalsContact O-CD1 3.26Å; S702-L707 WeakPolarHBondContact O-CD1 3.48Å
703S57.4Low68.4Low68 Ų6888 Ų8848%0.47649%0.49SS..THydrogen-bonded Turntrans-70.1-10.6178.9-55.60000114.2L699 E700 H701L699-S703 PolarHBondContact O-N 3.38Å; L699-S703 VanDerWaalsContact O-N 3.1Å; L699-S703 PolarHBondContact O-OG 3.32Å; E700-S703 PolarHBondContact O-N 2.97Å; H701-S703 PolarHBondContact O-N 3.37Å
704S55.7Low68.5Low100 Ų10087.4 Ų87.470%0.69949%0.491SS*.THydrogen-bonded Turntrans-97.2-15.6179.971.60000114.5H701 S702H701-S704 PolarHBondContact O-N 3.5Å; H701-S704 VanDerWaalsContact O-N 3.08Å; H701-S704 PolarHBondContact O-OG 3.45Å; S702-S704 PolarHBondContact O-N 3.43Å
705S57Low68.5Low60 Ų6083.4 Ų83.442%0.4247%0.47SS..SBendtrans-91.6142.5171.950.40000110.7S702 L707S702-S705 PolarHBondContact O-N 2.92Å; S702-S705 PolarHBondContact O-OG 2.97Å; S705-L707 PolarHBondContact O-N 3.07Å
706S57.5Low68.5Low131 Ų13184.3 Ų84.392%0.91647%0.473SS*.  trans-63.4101.9169.6-174.70000109.8
707L68.4Low68.9Low55 Ų5585.5 Ų85.529%0.28847%0.472SS..  trans-104.7148.9178-68.9178.6000110.6S702 S705 V711S702-L707 VanDerWaalsContact O-CD1 3.26Å; S702-L707 WeakPolarHBondContact O-CD1 3.48Å; S705-L707 PolarHBondContact O-N 3.07Å; L707-V711 HydrophobicContact CB-CB 4.39Å; L707-V711 HydrophobicContact CD1-CG1 4.04Å
708P73.1Confident69.4Low68 Ų6883.6 Ų83.644%0.44247%0.467SS..  trans-57.9148.1171.5-23.234.2000112.1E710 V711 Q712P708-E710 WeakPolarHBondContact CB-OE2 3.2Å; P708-E710 PolarHBondContact O-N 3.36Å; P708-V711 HydrophobicContact CB-CG2 4.28Å; P708-V711 HydrophobicContact CG-CG2 4.32Å; P708-V711 WeakPolarHBondContact O-CB 3.47Å; P708-V711 PolarHBondContact O-N 3.1Å; P708-Q712 PolarHBondContact O-N 3.42Å
709P66.1Low69.6Low99 Ų9982.8 Ų82.864%0.64346%0.463SS*.Hα-helixtrans-59.8-31.2-174.424.2-34000113.2V711 Q712 Q713P709-V711 VanDerWaalsContact C-N 3.32Å; P709-V711 PolarHBondContact O-N 3.3Å; P709-Q712 PolarHBondContact O-N 2.75Å; P709-Q713 PolarHBondContact O-N 3.08Å
710E66.8Low70Confident122 Ų12283.6 Ų83.657%0.5747%0.47SS*.Hα-helixtrans-64.3-38176.2-5080.7-179.800111.4P708 V714P708-E710 WeakPolarHBondContact CB-OE2 3.2Å; P708-E710 PolarHBondContact O-N 3.36Å; E710-V714 WeakPolarHBondContact O-CG2 3.36Å; E710-V714 PolarHBondContact O-N 2.7Å
711V74.7Confident70.4Confident64 Ų6481.4 Ų81.439%0.38847%0.467SS..Hα-helixtrans-73.7-39.9176.7-1740000110.2L707 P708 P709 Q713 V714 V715L707-V711 HydrophobicContact CB-CB 4.39Å; L707-V711 HydrophobicContact CD1-CG1 4.04Å; P708-V711 HydrophobicContact CB-CG2 4.28Å; P708-V711 HydrophobicContact CG-CG2 4.32Å; P708-V711 WeakPolarHBondContact O-CB 3.47Å; P708-V711 PolarHBondContact O-N 3.1Å; P709-V711 VanDerWaalsContact C-N 3.32Å; P709-V711 PolarHBondContact O-N 3.3Å; V711-Q713 VanDerWaalsContact C-N 3.31Å; V711-Q713 PolarHBondContact O-N 3.28Å; V711-V714 PolarHBondContact O-N 2.93Å; V711-V715 WeakPolarHBondContact O-CG2 3.25Å; V711-V715 PolarHBondContact O-N 3.23Å
712Q72.8Confident71.3Confident56 Ų5677.4 Ų77.426%0.26245%0.449SS..Hα-helixtrans-63.6-37.3176.3-168.66142.200111.9P708 P709 V715 N716P708-Q712 PolarHBondContact O-N 3.42Å; P709-Q712 PolarHBondContact O-N 2.75Å; Q712-V715 PolarHBondContact O-N 3.48Å; Q712-N716 PolarHBondContact NE2-OD1 2.98Å; Q712-N716 VanDerWaalsContact NE2-OD1 3.12Å; Q712-N716 WeakPolarHBondContact O-CB 3.4Å; Q712-N716 PolarHBondContact O-N 3.14Å; Q712-N716 PolarHBondContact O-OD1 3.23Å
713Q74.2Confident72Confident125 Ų12580 Ų8058%0.58446%0.455SS*.Hα-helixtrans-62.4-43.1173.6-170.7177.39.700111.7P709 V711 N716 N717P709-Q713 PolarHBondContact O-N 3.08Å; V711-Q713 VanDerWaalsContact C-N 3.31Å; V711-Q713 PolarHBondContact O-N 3.28Å; Q713-N716 PolarHBondContact O-N 3.27Å; Q713-N717 WeakPolarHBondContact O-CB 3.42Å; Q713-N717 PolarHBondContact O-N 3.28Å; Q713-N717 PolarHBondContact O-OD1 3.47Å
714V78.4Confident72.9Confident82 Ų8279.5 Ų79.550%0.49745%0.452SS..Hα-helixtrans-64.4-42.3175.1172.70000111.7E710 V711 N716 N717 I718E710-V714 WeakPolarHBondContact O-CG2 3.36Å; E710-V714 PolarHBondContact O-N 2.7Å; V711-V714 PolarHBondContact O-N 2.93Å; V714-N716 PolarHBondContact O-N 2.71Å; V714-N717 PolarHBondContact O-N 2.87Å; V714-I718 HydrophobicContact CG1-CD1 3.78Å; V714-I718 HydrophobicContact CG1-CG1 4.47Å; V714-I718 WeakPolarHBondContact O-CB 3.43Å; V714-I718 VanDerWaalsContact O-CG1 3.26Å; V714-I718 WeakPolarHBondContact O-CG1 3.16Å; V714-I718 PolarHBondContact O-N 2.87Å
715V79.8Confident73.8Confident15 Ų1578.2 Ų78.29%0.09144%0.437CS..Hα-helixtrans-60.6-43.5175.1167.10000111.3L699 V711 Q712 I718 K719L699-V715 HydrophobicContact CD2-CG1 4.04Å; V711-V715 WeakPolarHBondContact O-CG2 3.25Å; V711-V715 PolarHBondContact O-N 3.23Å; Q712-V715 PolarHBondContact O-N 3.48Å; V715-I718 PolarHBondContact O-N 3.23Å; V715-K719 WeakPolarHBondContact O-CB 3.41Å; V715-K719 PolarHBondContact O-N 3.43Å
716N76Confident74.9Confident74 Ų7478.5 Ų78.540%0.39643%0.432SS..Hα-helixtrans-65.1-45.2176.7-70.7-7.6000111.6Q712 Q713 V714 I718 K719 C720Q712-N716 PolarHBondContact NE2-OD1 2.98Å; Q712-N716 VanDerWaalsContact NE2-OD1 3.12Å; Q712-N716 WeakPolarHBondContact O-CB 3.4Å; Q712-N716 PolarHBondContact O-N 3.14Å; Q712-N716 PolarHBondContact O-OD1 3.23Å; Q713-N716 PolarHBondContact O-N 3.27Å; V714-N716 PolarHBondContact O-N 2.71Å; N716-I718 VanDerWaalsContact C-N 3.34Å; N716-I718 PolarHBondContact O-N 3.04Å; N716-K719 WeakPolarHBondContact O-CB 3.49Å; N716-K719 PolarHBondContact O-N 3.29Å; N716-K719 VanDerWaalsContact O-N 3.11Å; N716-C720 PolarHBondContact O-N 2.79Å; N716-C720 PolarHBondContact O-SG 3.08Å; N716-C720 VanDerWaalsContact O-SG 3.34Å
717N81.6Confident75.6Confident77 Ų7779.3 Ų79.341%0.41242%0.419SS..Hα-helixtrans-60.2-42.7176.7-70.4-5000111.8Q713 V714 K719 C720 V721Q713-N717 WeakPolarHBondContact O-CB 3.42Å; Q713-N717 PolarHBondContact O-N 3.28Å; Q713-N717 PolarHBondContact O-OD1 3.47Å; V714-N717 PolarHBondContact O-N 2.87Å; N717-K719 VanDerWaalsContact C-N 3.35Å; N717-C720 PolarHBondContact O-N 2.86Å; N717-V721 WeakPolarHBondContact O-CG2 3.2Å; N717-V721 PolarHBondContact O-N 3.47Å
718I81.7Confident75.7Confident76 Ų7682.5 Ų82.539%0.3943%0.432SS..Hα-helixtrans-61.7-42.9174.3-70.4166.1000110.8L699 V714 V715 N716 C720 V721 I722L699-I718 HydrophobicContact CD1-CG2 4.25Å; L699-I718 HydrophobicContact CD2-CG2 4.02Å; V714-I718 HydrophobicContact CG1-CD1 3.78Å; V714-I718 HydrophobicContact CG1-CG1 4.47Å; V714-I718 WeakPolarHBondContact O-CB 3.43Å; V714-I718 VanDerWaalsContact O-CG1 3.26Å; V714-I718 WeakPolarHBondContact O-CG1 3.16Å; V714-I718 PolarHBondContact O-N 2.87Å; V715-I718 PolarHBondContact O-N 3.23Å; N716-I718 VanDerWaalsContact C-N 3.34Å; N716-I718 PolarHBondContact O-N 3.04Å; I718-C720 VanDerWaalsContact C-N 3.34Å; I718-C720 PolarHBondContact O-N 3.33Å; I718-V721 PolarHBondContact O-N 3.11Å; I718-I722 HydrophobicContact CG2-CD1 3.68Å; I718-I722 HydrophobicContact CG2-CG1 4.5Å; I718-I722 WeakPolarHBondContact O-CD1 3.47Å; I718-I722 VanDerWaalsContact O-CG1 3.31Å; I718-I722 WeakPolarHBondContact O-CG1 3.29Å; I718-I722 PolarHBondContact O-N 3.45Å
719K77.4Confident75.7Confident119 Ų11981.6 Ų81.652%0.51742%0.423SS..Hα-helixtrans-61.4-39.5176.1-170.2-178.9-179.8-175.50112.1V715 N716 N717 I722 K723V715-K719 WeakPolarHBondContact O-CB 3.41Å; V715-K719 PolarHBondContact O-N 3.43Å; N716-K719 WeakPolarHBondContact O-CB 3.49Å; N716-K719 PolarHBondContact O-N 3.29Å; N716-K719 VanDerWaalsContact O-N 3.11Å; N717-K719 VanDerWaalsContact C-N 3.35Å; K719-I722 PolarHBondContact O-N 3.13Å; K719-K723 PolarHBondContact O-N 3.21Å
720C78.3Confident76.1Confident46 Ų4683 Ų8331%0.31142%0.42SS..Hα-helixtrans-65.1-43.2174.6-66.60000112.6C364 N716 N717 I718 I722 K723 S724C364-C720 HydrophobicContact CB-CB 4.44Å; N716-C720 PolarHBondContact O-N 2.79Å; N716-C720 PolarHBondContact O-SG 3.08Å; N716-C720 VanDerWaalsContact O-SG 3.34Å; N717-C720 PolarHBondContact O-N 2.86Å; I718-C720 VanDerWaalsContact C-N 3.34Å; I718-C720 PolarHBondContact O-N 3.33Å; C720-I722 VanDerWaalsContact C-N 3.34Å; C720-I722 PolarHBondContact O-N 2.87Å; C720-K723 PolarHBondContact O-N 3.31Å; C720-S724 PolarHBondContact O-N 3.01Å
721V79.2Confident76.3Confident96 Ų9683.2 Ų83.258%0.58242%0.421SS*.Hα-helixtrans-64.7-37.7176.3173.10000111.6N717 I718 S724 D725N717-V721 WeakPolarHBondContact O-CG2 3.2Å; N717-V721 PolarHBondContact O-N 3.47Å; I718-V721 PolarHBondContact O-N 3.11Å; V721-S724 PolarHBondContact O-N 3.19Å; V721-S724 PolarHBondContact O-OG 3.13Å; V721-S724 VanDerWaalsContact O-OG 3.07Å; V721-D725 WeakPolarHBondContact O-CB 3.45Å; V721-D725 PolarHBondContact O-N 3.29Å
722I80.3Confident76.3Confident50 Ų5082.8 Ų82.826%0.25643%0.425SS..Hα-helixtrans-69.2-41.9176.2-66.9162.2000111.2V695 L699 I718 K719 C720 S724 D725 E726V695-I722 HydrophobicContact CG1-CD1 3.57Å; L699-I722 HydrophobicContact CD1-CD1 3.61Å; I718-I722 HydrophobicContact CG2-CD1 3.68Å; I718-I722 HydrophobicContact CG2-CG1 4.5Å; I718-I722 WeakPolarHBondContact O-CD1 3.47Å; I718-I722 VanDerWaalsContact O-CG1 3.31Å; I718-I722 WeakPolarHBondContact O-CG1 3.29Å; I718-I722 PolarHBondContact O-N 3.45Å; K719-I722 PolarHBondContact O-N 3.13Å; C720-I722 VanDerWaalsContact C-N 3.34Å; C720-I722 PolarHBondContact O-N 2.87Å; I722-S724 VanDerWaalsContact C-N 3.26Å; I722-S724 PolarHBondContact O-N 2.97Å; I722-D725 PolarHBondContact O-N 3.03Å; I722-E726 WeakPolarHBondContact O-CB 3.47Å; I722-E726 PolarHBondContact O-N 3.41Å
723K76.1Confident76.4Confident96 Ų9684 Ų8442%0.41743%0.432SS..Hα-helixtrans-60.1-34.4173-88.4-162.6170.2-169.60112.4D361 K719 C720D361-K723 IonicContact OD1-NZ 2.81Å; D361-K723 PolarHBondContact OD1-NZ 2.92Å; D361-K723 IonicContact OD2-NZ 2.65Å; D361-K723 PolarHBondContact OD2-NZ 2.75Å; K719-K723 PolarHBondContact O-N 3.21Å; C720-K723 PolarHBondContact O-N 3.31Å
724S75.7Confident76.3Confident58 Ų5884.7 Ų84.741%0.40643%0.434SS..Hα-helixtrans-79.9-39178720000113C720 V721 I722 E726 K727 H728C720-S724 PolarHBondContact O-N 3.01Å; V721-S724 PolarHBondContact O-N 3.19Å; V721-S724 PolarHBondContact O-OG 3.13Å; V721-S724 VanDerWaalsContact O-OG 3.07Å; I722-S724 VanDerWaalsContact C-N 3.26Å; I722-S724 PolarHBondContact O-N 2.97Å; S724-E726 VanDerWaalsContact C-N 3.29Å; S724-E726 PolarHBondContact O-N 3.45Å; S724-K727 PolarHBondContact O-N 3.29Å; S724-H728 PolarHBondContact O-N 3.36Å; S724-H728 PolarHBondContact O-ND1 2.96Å
725D75.8Confident76Confident74 Ų7483.5 Ų83.540%0.39643%0.429SS..Hα-helixtrans-57.4-42172.4-175.166.9000111.5Y688 V721 I722 K727 H728 M729Y688-D725 PolarHBondContact OH-OD2 3.46Å; V721-D725 WeakPolarHBondContact O-CB 3.45Å; V721-D725 PolarHBondContact O-N 3.29Å; I722-D725 PolarHBondContact O-N 3.03Å; D725-K727 PolarHBondContact O-N 3.49Å; D725-H728 PolarHBondContact O-N 2.91Å; D725-M729 WeakPolarHBondContact O-CB 3.26Å; D725-M729 PolarHBondContact O-N 3.34Å
726E78.7Confident75.5Confident65 Ų6585.3 Ų85.330%0.30445%0.445SS..Hα-helixtrans-54.6-49.3176.5174.3156.3-160.500112.7K692 I722 S724 H728 M729 E730K692-E726 VanDerWaalsContact CE-OE2 3.31Å; K692-E726 WeakPolarHBondContact CE-OE2 3.36Å; K692-E726 IonicContact NZ-OE1 3.16Å; K692-E726 PolarHBondContact NZ-OE1 2.95Å; K692-E726 IonicContact NZ-OE2 3.51Å; K692-E726 PolarHBondContact NZ-OE2 2.84Å; I722-E726 WeakPolarHBondContact O-CB 3.47Å; I722-E726 PolarHBondContact O-N 3.41Å; S724-E726 VanDerWaalsContact C-N 3.29Å; S724-E726 PolarHBondContact O-N 3.45Å; E726-H728 PolarHBondContact O-N 3.11Å; E726-M729 PolarHBondContact O-N 3.37Å; E726-E730 PolarHBondContact O-N 3.35Å
727K72.1Confident75.4Confident149 Ų14986.5 Ų86.565%0.64845%0.452SS*.Hα-helixtrans-61.2-46.4177.5-177.1-176.9175-174.70112.3S724 D725 M729 E730 E731S724-K727 PolarHBondContact O-N 3.29Å; D725-K727 PolarHBondContact O-N 3.49Å; K727-M729 VanDerWaalsContact C-N 3.26Å; K727-M729 PolarHBondContact O-N 2.89Å; K727-E730 PolarHBondContact O-N 2.92Å; K727-E731 PolarHBondContact O-N 3.22Å
728H71.3Confident75.1Confident121 Ų12185.7 Ų85.756%0.5645%0.45SS*.Hα-helixtrans-67-30.5179.5-65.693.5000111.7S724 D725 E726 A732S724-H728 PolarHBondContact O-N 3.36Å; S724-H728 PolarHBondContact O-ND1 2.96Å; D725-H728 PolarHBondContact O-N 2.91Å; E726-H728 PolarHBondContact O-N 3.11Å; H728-A732 WeakPolarHBondContact O-CB 3.4Å; H728-A732 PolarHBondContact O-N 2.74Å
729M73Confident74.6Confident50 Ų5086.8 Ų86.825%0.24646%0.455CS..Hα-helixtrans-72.7-38.9175.3-173.5163.1-57.500112.7Y688 D725 E726 K727 E731 A732 I733Y688-M729 HydrophobicContact CD1-CE 4.36Å; Y688-M729 HydrophobicContact CD1-SD 3.67Å; Y688-M729 HydrophobicContact CD2-CE 3.87Å; Y688-M729 HydrophobicContact CD2-SD 4.25Å; Y688-M729 HydrophobicContact CE1-CE 3.91Å; Y688-M729 HydrophobicContact CE1-SD 3.32Å; Y688-M729 WeakPolarHBondContact CE1-SD 3.43Å; Y688-M729 HydrophobicContact CE2-CE 3.33Å; Y688-M729 HydrophobicContact CE2-SD 3.93Å; Y688-M729 HydrophobicContact CG-CE 4.35Å; Y688-M729 HydrophobicContact CG-SD 4.13Å; D725-M729 WeakPolarHBondContact O-CB 3.26Å; D725-M729 PolarHBondContact O-N 3.34Å; E726-M729 PolarHBondContact O-N 3.37Å; K727-M729 VanDerWaalsContact C-N 3.26Å; K727-M729 PolarHBondContact O-N 2.89Å; M729-E731 VanDerWaalsContact C-N 3.31Å; M729-E731 PolarHBondContact O-N 3.44Å; M729-A732 PolarHBondContact O-N 2.64Å; M729-I733 HydrophobicContact CG-CD1 3.79Å; M729-I733 HydrophobicContact CG-CG1 4.25Å; M729-I733 WeakPolarHBondContact O-CB 3.38Å; M729-I733 VanDerWaalsContact O-CG1 3.29Å; M729-I733 WeakPolarHBondContact O-CG1 3.48Å; M729-I733 PolarHBondContact O-N 3.12Å; M729-I733 HydrophobicContact SD-CD1 4.43Å
730E74.4Confident74.3Confident128 Ų12885.7 Ų85.760%0.59846%0.455SS*.Hα-helixtrans-62.9-39.5174.7-71.3-171.2156.800111.5E726 K727 I733 F734E726-E730 PolarHBondContact O-N 3.35Å; K727-E730 PolarHBondContact O-N 2.92Å; E730-I733 PolarHBondContact O-N 2.95Å; E730-F734 VanDerWaalsContact O-CB 3.28Å; E730-F734 WeakPolarHBondContact O-CB 3.26Å; E730-F734 PolarHBondContact O-N 3.44Å
731E71.8Confident74Confident126 Ų12689 Ų8959%0.58947%0.466SS*.Hα-helixtrans-64.3-40.1172.7-169.1174.5170.800112.4K727 M729 S735K727-E731 PolarHBondContact O-N 3.22Å; M729-E731 VanDerWaalsContact C-N 3.31Å; M729-E731 PolarHBondContact O-N 3.44Å; E731-S735 WeakPolarHBondContact O-CB 3.31Å; E731-S735 PolarHBondContact O-N 3.24Å; E731-S735 PolarHBondContact O-OG 2.93Å
732A74.4Confident73.4Confident56 Ų5688.2 Ų88.246%0.46346%0.461SS..Hα-helixtrans-66.7-37.3174.800000113.1H728 M729 S735 A736H728-A732 WeakPolarHBondContact O-CB 3.4Å; H728-A732 PolarHBondContact O-N 2.74Å; M729-A732 PolarHBondContact O-N 2.64Å; A732-S735 WeakPolarHBondContact CA-OG 3.14Å; A732-S735 PolarHBondContact O-OG 3.02Å; A732-S735 VanDerWaalsContact O-OG 3.13Å; A732-A736 WeakPolarHBondContact O-CB 3.37Å; A732-A736 PolarHBondContact O-N 2.97Å; A732-A736 VanDerWaalsContact O-N 3.13Å
733I73.6Confident72.7Confident81 Ų8190.8 Ų90.842%0.41547%0.473SS..Hα-helixtrans-72.2-42.3176.1-69.7168.6000110.5L685 M729 E730 A736 N737L685-I733 HydrophobicContact CD1-CD1 4.11Å; M729-I733 HydrophobicContact CG-CD1 3.79Å; M729-I733 HydrophobicContact CG-CG1 4.25Å; M729-I733 WeakPolarHBondContact O-CB 3.38Å; M729-I733 VanDerWaalsContact O-CG1 3.29Å; M729-I733 WeakPolarHBondContact O-CG1 3.48Å; M729-I733 PolarHBondContact O-N 3.12Å; M729-I733 HydrophobicContact SD-CD1 4.43Å; E730-I733 PolarHBondContact O-N 2.95Å; I733-A736 PolarHBondContact O-N 2.98Å; I733-N737 WeakPolarHBondContact O-CB 3.22Å; I733-N737 PolarHBondContact O-N 3.21Å
734F73.6Confident71.9Confident140 Ų14089.3 Ų89.361%0.61447%0.472SS*.Hα-helixtrans-62.3-48.9177.4-179.2-100.7000111.6E730 A736 N737 V738E730-F734 VanDerWaalsContact O-CB 3.28Å; E730-F734 WeakPolarHBondContact O-CB 3.26Å; E730-F734 PolarHBondContact O-N 3.44Å; F734-A736 PolarHBondContact O-N 2.84Å; F734-N737 PolarHBondContact O-N 2.96Å; F734-V738 HydrophobicContact CD1-CG2 4.24Å; F734-V738 HydrophobicContact CE1-CG2 3.85Å; F734-V738 HydrophobicContact CE2-CG2 4.35Å; F734-V738 HydrophobicContact CZ-CG2 3.92Å; F734-V738 WeakPolarHBondContact O-CG2 3.4Å; F734-V738 PolarHBondContact O-N 3.01Å
735S70.6Confident71.1Confident57 Ų5793 Ų9340%0.39948%0.483SS..Hα-helixtrans-62.5-39.3177.553.20000112.7E731 A732 V738 I739E731-S735 WeakPolarHBondContact O-CB 3.31Å; E731-S735 PolarHBondContact O-N 3.24Å; E731-S735 PolarHBondContact O-OG 2.93Å; A732-S735 WeakPolarHBondContact CA-OG 3.14Å; A732-S735 PolarHBondContact O-OG 3.02Å; A732-S735 VanDerWaalsContact O-OG 3.13Å; S735-V738 PolarHBondContact O-N 2.88Å; S735-I739 WeakPolarHBondContact O-CD1 3.45Å; S735-I739 VanDerWaalsContact O-CG1 3.27Å; S735-I739 WeakPolarHBondContact O-CG1 3.48Å; S735-I739 PolarHBondContact O-N 3.41Å
736A70.8Confident70.1Confident52 Ų5299.4 Ų99.443%0.4350%0.502SS..Hα-helixtrans-61-43.3172.400000112.6A732 I733 F734 I739 D740A732-A736 WeakPolarHBondContact O-CB 3.37Å; A732-A736 PolarHBondContact O-N 2.97Å; A732-A736 VanDerWaalsContact O-N 3.13Å; I733-A736 PolarHBondContact O-N 2.98Å; F734-A736 PolarHBondContact O-N 2.84Å; A736-I739 PolarHBondContact O-N 3.28Å; A736-D740 PolarHBondContact O-N 3.36Å
737N72.8Confident68.9Low99 Ų99103 Ų10353%0.52952%0.521SS..Hα-helixtrans-66.9-38.3178.6-170.945.1000112.5I733 F734 D740 Q741I733-N737 WeakPolarHBondContact O-CB 3.22Å; I733-N737 PolarHBondContact O-N 3.21Å; F734-N737 PolarHBondContact O-N 2.96Å; N737-D740 PolarHBondContact O-N 2.91Å; N737-Q741 WeakPolarHBondContact O-CB 3.42Å; N737-Q741 PolarHBondContact O-N 2.91Å
738V74.9Confident68Low61 Ų61102.3 Ų102.337%0.3752%0.524SS..Hα-helixtrans-63.2-42.8173.31700000111.1F734 S735 Q741 V742F734-V738 HydrophobicContact CD1-CG2 4.24Å; F734-V738 HydrophobicContact CE1-CG2 3.85Å; F734-V738 HydrophobicContact CE2-CG2 4.35Å; F734-V738 HydrophobicContact CZ-CG2 3.92Å; F734-V738 WeakPolarHBondContact O-CG2 3.4Å; F734-V738 PolarHBondContact O-N 3.01Å; S735-V738 PolarHBondContact O-N 2.88Å; V738-Q741 PolarHBondContact O-N 3.31Å; V738-V742 VanDerWaalsContact O-CG2 3.26Å; V738-V742 WeakPolarHBondContact O-CG2 3.1Å; V738-V742 PolarHBondContact O-N 3.46Å
739I72.9Confident66.9Low98 Ų9899.8 Ų99.850%0.50353%0.53SS..Hα-helixtrans-62.4-44.1176.9-69.5163.8000111S735 A736 V742 M743S735-I739 WeakPolarHBondContact O-CD1 3.45Å; S735-I739 VanDerWaalsContact O-CG1 3.27Å; S735-I739 WeakPolarHBondContact O-CG1 3.48Å; S735-I739 PolarHBondContact O-N 3.41Å; A736-I739 PolarHBondContact O-N 3.28Å; I739-V742 PolarHBondContact O-N 3.31Å; I739-M743 HydrophobicContact CG2-CE 3.97Å; I739-M743 WeakPolarHBondContact O-CG 3.47Å; I739-M743 PolarHBondContact O-N 3.47Å
740D70Confident65.3Low96 Ų96102.5 Ų102.551%0.51355%0.554SS.*Hα-helixtrans-66.1-39.7179-164.868.2000112.4A736 N737 V742 M743 T744A736-D740 PolarHBondContact O-N 3.36Å; N737-D740 PolarHBondContact O-N 2.91Å; D740-V742 PolarHBondContact O-N 3.05Å; D740-M743 PolarHBondContact O-N 2.97Å; D740-T744 WeakPolarHBondContact O-CB 3.46Å; D740-T744 PolarHBondContact O-N 3.18Å; D740-T744 PolarHBondContact O-OG1 3.27Å
741Q72.3Confident63.9Low117 Ų117102 Ų10255%0.54756%0.561SS.*Hα-helixtrans-62.8-41.1173.8-171.3173.791.100112N737 V738 T744 Q745N737-Q741 WeakPolarHBondContact O-CB 3.42Å; N737-Q741 PolarHBondContact O-N 2.91Å; V738-Q741 PolarHBondContact O-N 3.31Å; Q741-T744 PolarHBondContact O-N 3.39Å; Q741-Q745 PolarHBondContact O-N 3.09Å
742V66.8Low62.4Low78 Ų78107.6 Ų107.647%0.47358%0.577SS.*Hα-helixtrans-67.9-38.1175.4170.80000111.9V738 I739 D740 R746V738-V742 VanDerWaalsContact O-CG2 3.26Å; V738-V742 WeakPolarHBondContact O-CG2 3.1Å; V738-V742 PolarHBondContact O-N 3.46Å; I739-V742 PolarHBondContact O-N 3.31Å; D740-V742 PolarHBondContact O-N 3.05Å; V742-R746 WeakPolarHBondContact O-CB 3.44Å; V742-R746 PolarHBondContact O-N 3.24Å
743M64.5Low60.6Low104 Ų104112.5 Ų112.551%0.51259%0.588SS.*Hα-helixtrans-64.9-41.9172.5-68.1-149.5-169.400111.6I739 D740 R746 I747I739-M743 HydrophobicContact CG2-CE 3.97Å; I739-M743 WeakPolarHBondContact O-CG 3.47Å; I739-M743 PolarHBondContact O-N 3.47Å; D740-M743 PolarHBondContact O-N 2.97Å; M743-R746 PolarHBondContact O-N 3.26Å; M743-I747 WeakPolarHBondContact O-CG1 3.24Å; M743-I747 PolarHBondContact O-N 2.93Å
744T61.2Low58.9Low65 Ų65119.9 Ų119.940%0.39961%0.611SS.*Hα-helixtrans-66.1-43.9-179.6-62.30000112.2D740 Q741 R746 I747 I748D740-T744 WeakPolarHBondContact O-CB 3.46Å; D740-T744 PolarHBondContact O-N 3.18Å; D740-T744 PolarHBondContact O-OG1 3.27Å; Q741-T744 PolarHBondContact O-N 3.39Å; T744-R746 VanDerWaalsContact C-N 3.29Å; T744-R746 PolarHBondContact O-N 3.07Å; T744-I747 PolarHBondContact O-N 2.93Å; T744-I747 VanDerWaalsContact O-N 3.15Å; T744-I748 HydrophobicContact CG2-CD1 4.29Å; T744-I748 PolarHBondContact O-N 2.81Å
745Q57.9Low56.9Low136 Ų136119.6 Ų119.664%0.63662%0.616SS**Hα-helixtrans-60.3-38.9173.7-74.4-169.27.700112.3Q741 I747 I748 G749Q741-Q745 PolarHBondContact O-N 3.09Å; Q745-I747 PolarHBondContact O-N 2.91Å; Q745-I748 PolarHBondContact O-N 2.89Å; Q745-G749 PolarHBondContact O-N 2.72Å
746R54.9Low55.4Low209 Ų209125.4 Ų125.479%0.78964%0.636SS**Hα-helixtrans-64.4-23.9177.9-173.2176.1-72.5-179.4-2.4113.3V742 M743 T744V742-R746 WeakPolarHBondContact O-CB 3.44Å; V742-R746 PolarHBondContact O-N 3.24Å; M743-R746 PolarHBondContact O-N 3.26Å; T744-R746 VanDerWaalsContact C-N 3.29Å; T744-R746 PolarHBondContact O-N 3.07Å
747I54.1Low53.6Low139 Ų139131.7 Ų131.771%0.71366%0.656SS**Hα-helixtrans-81.2-31.2177.8-68.7165.6000112M743 T744 Q745M743-I747 WeakPolarHBondContact O-CG1 3.24Å; M743-I747 PolarHBondContact O-N 2.93Å; T744-I747 PolarHBondContact O-N 2.93Å; T744-I747 VanDerWaalsContact O-N 3.15Å; Q745-I747 PolarHBondContact O-N 2.91Å
748I52.9Low51.7Low136 Ų136133.5 Ų133.570%0.69767%0.666SS**Hα-helixtrans-82-25.1-176.5-63.7169.8000112.1T744 Q745 S750T744-I748 HydrophobicContact CG2-CD1 4.29Å; T744-I748 PolarHBondContact O-N 2.81Å; Q745-I748 PolarHBondContact O-N 2.89Å; I748-S750 PolarHBondContact O-N 3.03Å; I748-S750 VanDerWaalsContact O-N 3.1Å
749G47.5Very low49.8Very low67 Ų67138.4 Ų138.469%0.69169%0.689SS**SBendtrans-7822-168.400000119Q745Q745-G749 PolarHBondContact O-N 2.72Å
750S38.5Very low47.7Very low108 Ų108142.3 Ų142.376%0.75570%0.704SS**  trans-142.9101.3-176.8-170.50000116.1I748I748-S750 PolarHBondContact O-N 3.03Å; I748-S750 VanDerWaalsContact O-N 3.1Å
751P46Very low46.5Very low116 Ų116144.8 Ų144.875%0.75372%0.717SS**  trans-121.596.317036-22.1000113
752R39.8Very low44.5Very low244 Ų244147.8 Ų147.892%0.92173%0.731SS**  trans-161.9109.2146.3-113155.2-172.2156.33.5115.9
753K36.2Very low42.7Very low160 Ų160148.8 Ų148.870%0.69674%0.742SS**  trans1.1128141.1-164173.8-169.2-690116.8D755K753-D755 IonicContact NZ-OD1 2.69Å; K753-D755 PolarHBondContact NZ-OD1 3.37Å; K753-D755 IonicContact NZ-OD2 2.83Å; K753-D755 PolarHBondContact NZ-OD2 3.24Å
754R39.8Very low41.2Very low236 Ų236150.1 Ų150.189%0.89176%0.76SS**  trans-84.4147.8155.8-57.7-179.1-169.9125.31.9109.5
755D30.8Very low39.8Very low133 Ų133150.5 Ų150.571%0.71178%0.776SS**  trans-127165.6143.7-65.1-64.3000106.9K753K753-D755 IonicContact NZ-OD1 2.69Å; K753-D755 PolarHBondContact NZ-OD1 3.37Å; K753-D755 IonicContact NZ-OD2 2.83Å; K753-D755 PolarHBondContact NZ-OD2 3.24Å
756H38.2Very low38.6Very low180 Ų180148.6 Ų148.683%0.83378%0.784SS**  trans-143.6130.2-160.4-175.870.8000110.9
757E33.1Very low37.5Very low183 Ų183146.4 Ų146.486%0.85579%0.787SS**  trans-152.5157.9169.6-119.3167.9177.200110.4
758D33.6Very low36.3Very low138 Ų138144.7 Ų144.774%0.73879%0.787SS**  trans-77.8167.2-165.5-62.7-91.6000115.1
759I34.5Very low35.1Very low163 Ų163143.7 Ų143.784%0.83679%0.792SS**  166.5114.1120.6-83.5156.4000111.5
760H30.1Very low34.4Very low180 Ų180146 Ų14683%0.83380%0.798SS**  trans42.2156.3138.6-123.8-102.4000124.9
761L43.9Very low34.5Very low149 Ų149146.1 Ų146.178%0.7880%0.796SS**  trans-81.5133.8-177.6-69.8152.1000114.3
762Q29.8Very low33.7Very low180 Ų180146.2 Ų146.284%0.84180%0.799SS**  trans-163.9111.3154.9-15088.14.700105.9
763S30.2Very low33.5Very low99 Ų99142.9 Ų142.969%0.69280%0.797SS**  63.8130.571.3-155.80000115.4
764C32.4Very low33Very low132 Ų132141.8 Ų141.889%0.89281%0.807SS**  trans64.7159-175.7-57.80000115.6
765G32.8Very low32.6Very low72 Ų72141.6 Ų141.674%0.74281%0.807SS**  cis146.6130.1-9.900000113.6
766A32Very low32.3Very low97 Ų97140.8 Ų140.880%0.80281%0.812SS**  trans74.2118.4168.400000121
767L30.6Very low32Very low162 Ų162140.6 Ų140.685%0.84881%0.808SS**  53.1125.4128.2-60.2175.8000123.7
768S28.7Very low31.8Very low104 Ų104141.1 Ų141.173%0.72781%0.81SS**  trans90144.3131.9-68.40000123.5
769S28.4Very low31.8Very low115 Ų115141.7 Ų141.780%0.80481%0.808SS**  trans69112.9153.739.60000121.4
770S32.8Very low32.2Very low114 Ų114139.4 Ų139.480%0.79780%0.804SS**  trans-59.3160146.5-30.40000110.7
771P41.1Very low32.3Very low112 Ų112137.6 Ų137.673%0.72780%0.796SS**  -157.2175.27542.5-23000118.5
772S28.3Very low31.7Very low117 Ų117138.5 Ų138.582%0.81879%0.793SS**  trans76.1158.6145.874.70000120.7
773M36Very low31.8Very low175 Ų175135.9 Ų135.986%0.86279%0.79SS**  trans-89.8155.8-176.2-63.2-174.773.600113.1
774C26.7Very low31.8Very low137 Ų137136.5 Ų136.593%0.92680%0.795SS**  trans-133.4151.6151.4-104.60000111.7
775R29.8Very low31.7Very low232 Ų232135.7 Ų135.788%0.87579%0.79SS**  trans-134.9129.3-169.1177.6-158.8-156.1-175.312108.8
776S25.5Very low31.7Very low116 Ų116137.2 Ų137.281%0.81179%0.789SS**  trans-150.6157155.4-158.70000112.6
777K32.2Very low31.6Very low175 Ų175138.8 Ų138.876%0.76179%0.789SS**  trans-108.6159.7174.1-71.1177.6171-178.20108.6
778H28.4Very low31.6Very low194 Ų194137.6 Ų137.690%0.89878%0.784SS**  trans-143145.6140.4-107.9-81.7000111.2
779H32.9Very low32.6Very low150 Ų150138.1 Ų138.169%0.69479%0.785SS**  trans-164.4148.4179.217170000108.4Q781H779-Q781 PolarHBondContact NE2-N 2.82Å
780P43.8Very low33Very low116 Ų116141.6 Ų141.675%0.75379%0.788SS**  trans-135.9135.8149.630.8-13.9000115.3
781Q32.8Very low32.7Very low141 Ų141139.5 Ų139.566%0.65978%0.784SS**  trans-9.9155.2149.7-74.1-178.72.800119.1H779H779-Q781 PolarHBondContact NE2-N 2.82Å
782K31.3Very low32.2Very low168 Ų168139.8 Ų139.873%0.7379%0.789SS**  cis-153.6179.520.6-120148.5-178.4147.90108.5
783T31.6Very low33.5Very low126 Ų126139.5 Ų139.577%0.77379%0.785SS**  cis-144.7-155.813.4-21.60000107.5
784S29Very low33.2Very low112 Ų112136.6 Ų136.678%0.78378%0.781SS**  cis-162175.7-3.329.90000110.5
785S31.7Very low33.5Very low115 Ų115135.1 Ų135.180%0.80477%0.772SS**  trans-85170.317453.90000113.5
786S31.2Very low33.6Very low103 Ų103131.1 Ų131.172%0.7276%0.764SS**  cis-146.4-178.8-1.552.60000108.4
787T30.2Very low33.8Very low131 Ų131133.9 Ų133.980%0.80476%0.764SS**  cis-166.2163.937.2-34.60000110.5
788D31.8Very low33.6Very low137 Ų137128.7 Ų128.773%0.73376%0.76SS**  trans-123.7165.1178.7-149-24.4000108.9Q790D788-Q790 PolarHBondContact OD1-N 2.99Å
789P50Low33.8Very low115 Ų115127 Ų12775%0.74776%0.757SS**  -154.1133.280.737.9-16.2000118.6
790Q36.5Very low33.7Very low188 Ų188127.4 Ų127.488%0.87976%0.759SS**  68.5121.2121.6-169170.66900122.3D788D788-Q790 PolarHBondContact OD1-N 2.99Å
791G25.8Very low32.8Very low69 Ų69127.2 Ų127.271%0.71176%0.759SS**  trans179129.9160.200000112.9
792S31Very low32.8Very low118 Ų118130.6 Ų130.683%0.82577%0.766SS**  trans-159.3177.4-173.5-47.60000110.4
793P54.5Low32.7Very low112 Ų112129.2 Ų129.273%0.72776%0.762SS**  cis-138-171.3-0.940.8-21.5000115.8
794S30.1Very low32.9Very low113 Ų113128.3 Ų128.379%0.7976%0.757SS**  trans65.4153.8152.754.80000120.9
795S32.5Very low33.3Very low106 Ų106130.1 Ų130.174%0.74176%0.756SS**  cis-169.8165.9-25.9-165.20000110.8
796E32.3Very low33.7Very low149 Ų149135.7 Ų135.770%0.69678%0.776SS**  trans71.6136.1156.4-61.7-135.872.100123.1
797Q31.3Very low33.8Very low173 Ų173137.4 Ų137.481%0.80878%0.778SS**  trans59156.8148.4-61.3168.935.900119.2
798G27.4Very low34Very low67 Ų67137.7 Ų137.769%0.69178%0.777SS**  cis174.1166.6-7.800000112.4
799L31.7Very low34.1Very low158 Ų158137.7 Ų137.783%0.82778%0.78SS**  trans46.2111.1153.2-67.4164.8000122.4
800E30.3Very low33.2Very low158 Ų158139.1 Ų139.174%0.73878%0.782SS**  67.8124.5105-161.1172.9148.100123.9
801C26.5Very low33Very low112 Ų112136 Ų13676%0.75778%0.776SS**  trans76.7160.8147.4-810000124.3
802R32Very low33.5Very low212 Ų212140.5 Ų140.580%0.878%0.78SS**  trans69.1157.9179.3-75.3-177.3165.9-147.64.4116.1
803E29.9Very low33.7Very low139 Ų139142.1 Ų142.165%0.6578%0.777SS**  cis-138.713112-149.9138-129.400108.6
804T34.5Very low32.1Very low107 Ų107144.4 Ų144.466%0.65678%0.78SS**  60.3151.184.7-33.10000115.1
805I37.5Very low32.2Very low150 Ų150147 Ų14777%0.76978%0.78SS**  trans82.1127175.1-54172.6000113.1
806L40.7Very low32.2Very low233 Ų233150.7 Ų150.7100%1.2278%0.783SS**  cis-135.101.6-141.6162.4000110.2

Retrieved 806 of 806 residues in 461.8 ms (Link to these results)